A0A5K4F5N0_SCHMA Loading...

Eukaryotic translation initiation factor 3 subunit G

RNA-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. This subunit can bind 18S rRNA.

AlphaFold DB , UniProt , Accession A0A5K4F5N0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42Very low43.7Very low236 Ų236165.4 Ų165.4100%1.16385%0.852SS**  089.90-75.5169.4176.300107.2V3M1-V3 PolarHBondContact O-N 3.01Å
2T38.5Very low43.7Very low147 Ų147163.4 Ų163.490%0.90285%0.845SS**  trans-84.897.8174.438.20000107.1S4T2-S4 PolarHBondContact O-N 3.41Å
3V41.2Very low44.6Very low130 Ų130158.5 Ų158.579%0.78883%0.833SS**  trans-81.5103.4173.9-161.50000106.1M1M1-V3 PolarHBondContact O-N 3.01Å
4S33.4Very low46.4Very low83 Ų83159.4 Ų159.458%0.5883%0.83SS**  trans-67.9131.9174.9-172.70000108.5T2 T6T2-S4 PolarHBondContact O-N 3.41Å; S4-T6 PolarHBondContact O-N 3.38Å; S4-T6 PolarHBondContact OG-OG1 3.28Å
5W55.1Low48.4Very low259 Ų259153.7 Ų153.798%0.98180%0.801SS**THydrogen-bonded Turntrans-65.432.6-179.6-92.861.9000114.4
6T51.7Low50.3Low107 Ų107147.3 Ų147.366%0.65677%0.772SS**THydrogen-bonded Turntrans-13011.8-164.9-12.10000114.3S4S4-T6 PolarHBondContact O-N 3.38Å; S4-T6 PolarHBondContact OG-OG1 3.28Å
7D44.6Very low52.2Low159 Ų159145.1 Ų145.185%0.8577%0.769SS**  trans-123.323.5-171.3-120-8.6000114.9
8E45.8Very low54Low196 Ų196143.6 Ų143.692%0.91676%0.759SS**  trans-113.446.2171-79.5-176.116500112.2
9L43.1Very low55.7Low162 Ų162140.2 Ų140.285%0.84874%0.739SS**  trans-96.375.9163.9-76.5175.1000109.9
10N42.6Very low57.2Low152 Ų152139.2 Ų139.281%0.81373%0.73SS**  trans165.4104.9149.9-97.3-20.7000108.6
11E42.5Very low58.7Low188 Ų188138.1 Ų138.188%0.87972%0.719SS**SBendtrans175124141.3-93.5154.1-175.900107
12D44.1Very low60.9Low142 Ų142132.7 Ų132.776%0.75969%0.689SS**  trans74.771.2174.2-51.3-30.9000117.9E14D12-E14 HydrophobicContact CB-CG 4.4Å; D12-E14 PolarHBondContact O-N 3.2Å
13S55.9Low63.1Low99 Ų99129.4 Ų129.469%0.69267%0.666SS**  trans-68.166.7159.5-65.20000111.3L15S13-L15 PolarHBondContact O-N 3.35Å
14E69.8Low65.1Low171 Ų171128 Ų12880%0.79966%0.66SS**  trans-69.5114.2172.2-72-171.3163.200109.6D12D12-E14 HydrophobicContact CB-CG 4.4Å; D12-E14 PolarHBondContact O-N 3.2Å
15L76.6Confident67.5Low74 Ų74133 Ų13339%0.38767%0.674SS.*PPolyproline II helixtrans-58.3140.3172.7-73.2167.4000110S13 Y36 L42S13-L15 PolarHBondContact O-N 3.35Å; L15-Y36 HydrophobicContact CD1-CD2 4.31Å; L15-Y36 HydrophobicContact CD1-CE2 4.47Å; L15-Y36 HydrophobicContact CD2-CD2 3.62Å; L15-Y36 HydrophobicContact CD2-CE2 3.35Å; L15-Y36 HydrophobicContact CD2-CG 4.4Å; L15-Y36 HydrophobicContact CG-CD2 4.05Å; L15-Y36 HydrophobicContact CG-CE2 3.74Å; L15-L42 HydrophobicContact CD2-CD1 3.36Å
16P77.8Confident68.7Low52 Ų52129.3 Ų129.334%0.33866%0.66SS.*PPolyproline II helixtrans-56143.8175-15.421.1000111.3Y34P16-Y34 HydrophobicContact CB-CD2 3.58Å; P16-Y34 HydrophobicContact CB-CE2 3.87Å; P16-Y34 HydrophobicContact CB-CG 4.2Å; P16-Y34 HydrophobicContact CG-CD1 4.23Å; P16-Y34 HydrophobicContact CG-CD2 3.64Å; P16-Y34 HydrophobicContact CG-CE2 4.06Å; P16-Y34 HydrophobicContact CG-CG 3.73Å
17P82.4Confident70.2Confident110 Ų110127.9 Ų127.971%0.71465%0.648SS**PPolyproline II helixtrans-60.7152.417826.2-34.4000111.4E19P17-E19 PolarHBondContact O-N 3.48Å
18I85.4Confident72.2Confident117 Ų117121.6 Ų121.660%0.662%0.615SS**PPolyproline II helixtrans-64.6119.7178.3-61.7170.8000109.1E20 V31 R33I18-E20 HydrophobicContact CG2-CG 4.43Å; I18-V31 HydrophobicContact CG2-CG1 3.71Å; I18-R33 HydrophobicContact CG1-CB 4.44Å
19E85.8Confident74.3Confident79 Ų79115.6 Ų115.637%0.36959%0.585SS.*EExtended strand (participates in β ladder)trans-92.1126.6174.8-69.1-178.8-155.400110.3P17 K21 V31 V32P17-E19 PolarHBondContact O-N 3.48Å; E19-K21 VanDerWaalsContact OE2-CE 3.32Å; E19-K21 WeakPolarHBondContact OE2-CE 3.39Å; E19-K21 IonicContact OE2-NZ 3.18Å; E19-K21 PolarHBondContact OE2-NZ 3.26Å; E19-V31 WeakPolarHBondContact O-CA 3.03Å; E19-V32 HydrophobicContact CB-CB 4.28Å; E19-V32 PolarHBondContact N-O 3.06Å; E19-V32 VanDerWaalsContact N-O 3.09Å; E19-V32 PolarHBondContact O-N 3.5Å
20E86.8Confident76.4Confident121 Ų121108.8 Ų108.857%0.56555%0.551SS**EExtended strand (participates in β ladder)trans-113.6118.4172.1-56.3-164.9144.300110.2I18 K29 V31I18-E20 HydrophobicContact CG2-CG 4.43Å; E20-K29 WeakPolarHBondContact OE1-CE 3.48Å; E20-K29 IonicContact OE1-NZ 2.78Å; E20-K29 PolarHBondContact OE1-NZ 3.06Å; E20-K29 WeakPolarHBondContact OE2-CE 3.44Å; E20-K29 IonicContact OE2-NZ 3.38Å; E20-K29 PolarHBondContact OE2-NZ 3.11Å; E20-V31 HydrophobicContact CG-CG1 4.46Å; E20-V31 HydrophobicContact CG-CG2 4.3Å
21K88Confident78.6Confident116 Ų116102.6 Ų102.650%0.50452%0.518SS..EExtended strand (participates in β ladder)trans-114.9136.8175.4-67.4173.9-173.5156.90109.2E19 K29 T30E19-K21 VanDerWaalsContact OE2-CE 3.32Å; E19-K21 WeakPolarHBondContact OE2-CE 3.39Å; E19-K21 IonicContact OE2-NZ 3.18Å; E19-K21 PolarHBondContact OE2-NZ 3.26Å; K21-K29 CarbonylContact O-C 3.48Å; K21-T30 PolarHBondContact N-O 3.45Å; K21-T30 PolarHBondContact O-N 3.08Å
22F87.5Confident80.8Confident122 Ų12294.1 Ų94.154%0.53548%0.48SS..EExtended strand (participates in β ladder)trans-119115.8177.7-179.9-105.4000109.3P24 K29F22-P24 HydrophobicContact CE1-CB 4.2Å; F22-P24 VanDerWaalsContact O-CD 3.28Å; F22-P24 WeakPolarHBondContact O-CD 3.49Å; F22-K29 HydrophobicContact CD2-CB 4.18Å
23D85.5Confident82.9Confident78 Ų7892.7 Ų92.742%0.41746%0.463SS..EExtended strand (participates in β ladder)trans-95.1105.9178.1-67.2-33.9000109.1E25 R26 N27 I28D23-E25 VanDerWaalsContact C-N 3.28Å; D23-E25 PolarHBondContact O-N 3.34Å; D23-R26 PolarHBondContact O-N 3.5Å; D23-N27 PolarHBondContact O-N 3.37Å; D23-I28 PolarHBondContact N-O 3.09Å; D23-I28 PolarHBondContact O-N 2.99Å
24P82.4Confident84.4Confident101 Ų10190.4 Ų90.466%0.65644%0.44SS*.THydrogen-bonded Turntrans-67-28.1-174.525.5-33.5000112.9F22F22-P24 HydrophobicContact CE1-CB 4.2Å; F22-P24 VanDerWaalsContact O-CD 3.28Å; F22-P24 WeakPolarHBondContact O-CD 3.49Å
25E83.3Confident85.1Confident187 Ų18785.2 Ų85.287%0.87442%0.415SS*.THydrogen-bonded Turntrans-68-39.5-178.7-63.6-172.5165.300112.9D23D23-E25 VanDerWaalsContact C-N 3.28Å; D23-E25 PolarHBondContact O-N 3.34Å
26R80.4Confident85.5Confident182 Ų18286.6 Ų86.669%0.68742%0.416SS*.THydrogen-bonded Turntrans-96.7-9.9-178.7-61.8-176.4179.1-179.60.1112.8D23 I28D23-R26 PolarHBondContact O-N 3.5Å; R26-I28 HydrophobicContact CB-CB 4.34Å; R26-I28 HydrophobicContact CB-CD1 3.7Å; R26-I28 HydrophobicContact CB-CG1 3.86Å; R26-I28 PolarHBondContact O-N 3.35Å
27N82.8Confident85.8Confident77 Ų7787.2 Ų87.241%0.41242%0.416SS..THydrogen-bonded Turntrans54.640.5-171.7-169.536.1000111.9D23 K51D23-N27 PolarHBondContact O-N 3.37Å; N27-K51 PolarHBondContact ND2-O 2.92Å
28I87.5Confident86Confident28 Ų2891.6 Ų91.614%0.14443%0.427CS..EExtended strand (participates in β ladder)trans-113.2129.8-179.2-62.9173.3000108.4D23 R26 E48 Y49 Q50D23-I28 PolarHBondContact N-O 3.09Å; D23-I28 PolarHBondContact O-N 2.99Å; R26-I28 HydrophobicContact CB-CB 4.34Å; R26-I28 HydrophobicContact CB-CD1 3.7Å; R26-I28 HydrophobicContact CB-CG1 3.86Å; R26-I28 PolarHBondContact O-N 3.35Å; I28-E48 HydrophobicContact CG2-CB 3.73Å; I28-E48 HydrophobicContact CG2-CG 4.08Å; I28-Y49 WeakPolarHBondContact CA-O 3.4Å; I28-Q50 HydrophobicContact CG1-CB 4.45Å; I28-Q50 HydrophobicContact CG1-CG 4.39Å
29K89.4Confident85.9Confident69 Ų6992.4 Ų92.430%0.343%0.433SS..EExtended strand (participates in β ladder)trans-97.8116.4168.3-178.3-176.2179.8-176.40108.4E20 K21 F22 V31 Y49E20-K29 WeakPolarHBondContact OE1-CE 3.48Å; E20-K29 IonicContact OE1-NZ 2.78Å; E20-K29 PolarHBondContact OE1-NZ 3.06Å; E20-K29 WeakPolarHBondContact OE2-CE 3.44Å; E20-K29 IonicContact OE2-NZ 3.38Å; E20-K29 PolarHBondContact OE2-NZ 3.11Å; K21-K29 CarbonylContact O-C 3.48Å; F22-K29 HydrophobicContact CD2-CB 4.18Å; K29-V31 HydrophobicContact CD-CG2 4.33Å; K29-V31 HydrophobicContact CG-CG2 4.25Å; K29-Y49 PolarHBondContact N-O 2.94Å; K29-Y49 PolarHBondContact O-N 2.91Å
30T88.1Confident85.7Confident19 Ų1991 Ų9112%0.11744%0.439CS..EExtended strand (participates in β ladder)trans-98.6121.8177.4-54.30000109K21 V32 T46 K47 E48K21-T30 PolarHBondContact N-O 3.45Å; K21-T30 PolarHBondContact O-N 3.08Å; T30-V32 HydrophobicContact CG2-CG2 4.46Å; T30-T46 HydrophobicContact CG2-CG2 3.56Å; T30-K47 WeakPolarHBondContact CA-O 3.39Å; T30-E48 HydrophobicContact CG2-CG 4.22Å
31V88.8Confident85.6Confident23 Ų2390.3 Ų90.314%0.13944%0.439CS..EExtended strand (participates in β ladder)trans-114.3120.5177.5-177.80000108.2I18 E19 E20 K29 K47 Y49I18-V31 HydrophobicContact CG2-CG1 3.71Å; E19-V31 WeakPolarHBondContact O-CA 3.03Å; E20-V31 HydrophobicContact CG-CG1 4.46Å; E20-V31 HydrophobicContact CG-CG2 4.3Å; K29-V31 HydrophobicContact CD-CG2 4.33Å; K29-V31 HydrophobicContact CG-CG2 4.25Å; V31-K47 PolarHBondContact N-O 3.23Å; V31-K47 PolarHBondContact O-N 2.97Å; V31-Y49 HydrophobicContact CB-CE2 4Å; V31-Y49 HydrophobicContact CG2-CD2 3.91Å; V31-Y49 HydrophobicContact CG2-CE2 3.71Å
32V88.8Confident85.5Confident10 Ų1089 Ų896%0.06144%0.437CS..EExtended strand (participates in β ladder)trans-106.8121.2177.7178.60000108.2E19 T30 Y34 K44 E45 T46E19-V32 HydrophobicContact CB-CB 4.28Å; E19-V32 PolarHBondContact N-O 3.06Å; E19-V32 VanDerWaalsContact N-O 3.09Å; E19-V32 PolarHBondContact O-N 3.5Å; T30-V32 HydrophobicContact CG2-CG2 4.46Å; V32-Y34 HydrophobicContact CG1-CD2 4.47Å; V32-Y34 HydrophobicContact CG1-CE2 3.77Å; V32-K44 HydrophobicContact CG1-CD 4.21Å; V32-K44 VanDerWaalsContact CG1-CE 3.44Å; V32-K44 HydrophobicContact CG1-CG 3.86Å; V32-E45 WeakPolarHBondContact CA-O 3.37Å; V32-T46 HydrophobicContact CG2-CG2 4.05Å
33R87.4Confident85.6Confident112 Ų11285.9 Ų85.942%0.42343%0.426SS..EExtended strand (participates in β ladder)trans-120.5148.4172.271.4177.5-174.4176.44.8110.6I18 E45I18-R33 HydrophobicContact CG1-CB 4.44Å; R33-E45 HydrophobicContact CG-CB 3.95Å; R33-E45 HydrophobicContact CG-CG 4.45Å; R33-E45 IonicContact CZ-OE1 3.02Å; R33-E45 IonicContact CZ-OE2 2.72Å; R33-E45 PolarHBondContact N-O 3.14Å; R33-E45 VanDerWaalsContact NE-CD 3.32Å; R33-E45 IonicContact NE-OE1 2.66Å; R33-E45 IonicContact NE-OE2 2.82Å; R33-E45 PolarHBondContact NE-OE2 3.03Å; R33-E45 VanDerWaalsContact NH2-CD 3.28Å; R33-E45 IonicContact NH2-OE1 3.2Å; R33-E45 PolarHBondContact NH2-OE1 2.97Å; R33-E45 IonicContact NH2-OE2 2.62Å; R33-E45 PolarHBondContact NH2-OE2 3.26Å; R33-E45 PolarHBondContact O-N 3.35Å
34Y86.8Confident85.7Confident51 Ų5188 Ų8820%0.243%0.431CS..EExtended strand (participates in β ladder)trans-113.6138.8173.3-61.7-92000108.9P16 V32 L42 I43 K44P16-Y34 HydrophobicContact CB-CD2 3.58Å; P16-Y34 HydrophobicContact CB-CE2 3.87Å; P16-Y34 HydrophobicContact CB-CG 4.2Å; P16-Y34 HydrophobicContact CG-CD1 4.23Å; P16-Y34 HydrophobicContact CG-CD2 3.64Å; P16-Y34 HydrophobicContact CG-CE2 4.06Å; P16-Y34 HydrophobicContact CG-CG 3.73Å; V32-Y34 HydrophobicContact CG1-CD2 4.47Å; V32-Y34 HydrophobicContact CG1-CE2 3.77Å; Y34-L42 HydrophobicContact CD1-CD2 4.41Å; Y34-I43 CarbonylContact C-O 3.59Å; Y34-I43 VanDerWaalsContact CA-O 3.29Å; Y34-I43 WeakPolarHBondContact CA-O 3.33Å; Y34-K44 HydrophobicContact CD1-CB 3.83Å; Y34-K44 HydrophobicContact CD1-CG 4.1Å; Y34-K44 HydrophobicContact CE1-CB 3.64Å; Y34-K44 HydrophobicContact CE1-CD 3.78Å; Y34-K44 HydrophobicContact CE1-CG 3.58Å
35F85.3Confident86Confident62 Ų6285.3 Ų85.327%0.27241%0.41SS..EExtended strand (participates in β ladder)trans-149.5156.6174.964.5-84000110.4N37 I43 E45F35-N37 VanDerWaalsContact CE2-OD1 3.3Å; F35-N37 WeakPolarHBondContact CE2-OD1 3.3Å; F35-I43 HydrophobicContact CD1-CB 4.5Å; F35-I43 HydrophobicContact CE1-CB 4.06Å; F35-I43 HydrophobicContact CE1-CG2 3.76Å; F35-I43 HydrophobicContact CE2-CB 4.1Å; F35-I43 HydrophobicContact CE2-CG2 4.35Å; F35-I43 HydrophobicContact CZ-CB 3.85Å; F35-I43 HydrophobicContact CZ-CG2 3.63Å; F35-I43 PolarHBondContact N-O 3.44Å; F35-I43 PolarHBondContact O-N 3.27Å; F35-E45 HydrophobicContact CD1-CB 4.45Å; F35-E45 HydrophobicContact CE1-CB 3.74Å; F35-E45 WeakPolarHBondContact CE1-OE2 3.28Å
36Y85.4Confident86.3Confident103 Ų10379.8 Ų79.840%0.40439%0.389SS..EExtended strand (participates in β ladder)trans-87.4134.7173.6-67.9-73.7000110.5L15 G40 D41 L42L15-Y36 HydrophobicContact CD1-CD2 4.31Å; L15-Y36 HydrophobicContact CD1-CE2 4.47Å; L15-Y36 HydrophobicContact CD2-CD2 3.62Å; L15-Y36 HydrophobicContact CD2-CE2 3.35Å; L15-Y36 HydrophobicContact CD2-CG 4.4Å; L15-Y36 HydrophobicContact CG-CD2 4.05Å; L15-Y36 HydrophobicContact CG-CE2 3.74Å; Y36-G40 WeakPolarHBondContact CD1-O 3.27Å; Y36-D41 WeakPolarHBondContact CA-O 3.48Å; Y36-L42 HydrophobicContact CD1-CB 4.34Å; Y36-L42 HydrophobicContact CD1-CD1 4.21Å; Y36-L42 HydrophobicContact CE1-CB 4.05Å; Y36-L42 HydrophobicContact CE1-CD1 3.81Å; Y36-L42 HydrophobicContact CE2-CD1 4.43Å
37N83.8Confident86.6Confident65 Ų6574.9 Ų74.935%0.34837%0.373SS..  trans-78171.6171.8-110.622.9000111.9F35 D39 G40 D41 I43F35-N37 VanDerWaalsContact CE2-OD1 3.3Å; F35-N37 WeakPolarHBondContact CE2-OD1 3.3Å; N37-D39 PolarHBondContact O-N 3.46Å; N37-G40 PolarHBondContact O-N 3.33Å; N37-D41 PolarHBondContact N-O 3.39Å; N37-I43 HydrophobicContact CB-CD1 4.08Å; N37-I43 HydrophobicContact CB-CG1 4.23Å; N37-I43 WeakPolarHBondContact ND2-CD1 3.45Å; N37-I43 VanDerWaalsContact OD1-CD1 3.27Å; N37-I43 WeakPolarHBondContact OD1-CD1 3.41Å
38E85.5Confident87Confident201 Ų20177.5 Ų77.594%0.93938%0.383SS*.THydrogen-bonded Turntrans-58.3-28.2175.3-63.5-177.4170.300112.7G40E38-G40 VanDerWaalsContact C-N 3.31Å; E38-G40 PolarHBondContact O-N 3.4Å
39D84.5Confident86.9Confident135 Ų13581.9 Ų81.972%0.72240%0.398SS*.THydrogen-bonded Turntrans-82.2-2.7177.1-56.7-56.4000113.9N37 D41N37-D39 PolarHBondContact O-N 3.46Å; D39-D41 VanDerWaalsContact C-N 3.34Å
40G81.8Confident86.8Confident49 Ų4984.9 Ų84.951%0.50541%0.413SS..SBendtrans85.3-0.5-177.500000115.1Y36 N37 E38Y36-G40 WeakPolarHBondContact CD1-O 3.27Å; N37-G40 PolarHBondContact O-N 3.33Å; E38-G40 VanDerWaalsContact C-N 3.31Å; E38-G40 PolarHBondContact O-N 3.4Å
41D84.6Confident86.5Confident106 Ų10692.1 Ų92.157%0.56744%0.443SS*.  trans-73.7139.3176.6-70.3-33000112.2Y36 N37 D39 I43Y36-D41 WeakPolarHBondContact CA-O 3.48Å; N37-D41 PolarHBondContact N-O 3.39Å; D39-D41 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.36Å
42L86.4Confident86.2Confident89 Ų8996.9 Ų96.947%0.46646%0.464SS..EExtended strand (participates in β ladder)trans-78.4111.7174.4-175.474.3000110.4L15 Y34 Y36L15-L42 HydrophobicContact CD2-CD1 3.36Å; Y34-L42 HydrophobicContact CD1-CD2 4.41Å; Y36-L42 HydrophobicContact CD1-CB 4.34Å; Y36-L42 HydrophobicContact CD1-CD1 4.21Å; Y36-L42 HydrophobicContact CE1-CB 4.05Å; Y36-L42 HydrophobicContact CE1-CD1 3.81Å; Y36-L42 HydrophobicContact CE2-CD1 4.43Å
43I88.3Confident86Confident57 Ų57106.3 Ų106.329%0.29250%0.504SS..EExtended strand (participates in β ladder)trans-98.8132.5175.9-60.5-155.8000110.9Y34 F35 N37 D41Y34-I43 CarbonylContact C-O 3.59Å; Y34-I43 VanDerWaalsContact CA-O 3.29Å; Y34-I43 WeakPolarHBondContact CA-O 3.33Å; F35-I43 HydrophobicContact CD1-CB 4.5Å; F35-I43 HydrophobicContact CE1-CB 4.06Å; F35-I43 HydrophobicContact CE1-CG2 3.76Å; F35-I43 HydrophobicContact CE2-CB 4.1Å; F35-I43 HydrophobicContact CE2-CG2 4.35Å; F35-I43 HydrophobicContact CZ-CB 3.85Å; F35-I43 HydrophobicContact CZ-CG2 3.63Å; F35-I43 PolarHBondContact N-O 3.44Å; F35-I43 PolarHBondContact O-N 3.27Å; N37-I43 HydrophobicContact CB-CD1 4.08Å; N37-I43 HydrophobicContact CB-CG1 4.23Å; N37-I43 WeakPolarHBondContact ND2-CD1 3.45Å; N37-I43 VanDerWaalsContact OD1-CD1 3.27Å; N37-I43 WeakPolarHBondContact OD1-CD1 3.41Å; D41-I43 PolarHBondContact O-N 3.36Å
44K89.1Confident86Confident122 Ų122109.7 Ų109.753%0.5352%0.517SS..EExtended strand (participates in β ladder)trans-96.4117.1167.8-179.4-177.8177.2172.70109.7V32 Y34V32-K44 HydrophobicContact CG1-CD 4.21Å; V32-K44 VanDerWaalsContact CG1-CE 3.44Å; V32-K44 HydrophobicContact CG1-CG 3.86Å; Y34-K44 HydrophobicContact CD1-CB 3.83Å; Y34-K44 HydrophobicContact CD1-CG 4.1Å; Y34-K44 HydrophobicContact CE1-CB 3.64Å; Y34-K44 HydrophobicContact CE1-CD 3.78Å; Y34-K44 HydrophobicContact CE1-CG 3.58Å
45E88.1Confident86.2Confident45 Ų45114.4 Ų114.421%0.2155%0.55CS.*EExtended strand (participates in β ladder)trans-108.9120.3173.4177.8176.6-179.200110.6V32 R33 F35 K47V32-E45 WeakPolarHBondContact CA-O 3.37Å; R33-E45 HydrophobicContact CG-CB 3.95Å; R33-E45 HydrophobicContact CG-CG 4.45Å; R33-E45 IonicContact CZ-OE1 3.02Å; R33-E45 IonicContact CZ-OE2 2.72Å; R33-E45 PolarHBondContact N-O 3.14Å; R33-E45 VanDerWaalsContact NE-CD 3.32Å; R33-E45 IonicContact NE-OE1 2.66Å; R33-E45 IonicContact NE-OE2 2.82Å; R33-E45 PolarHBondContact NE-OE2 3.03Å; R33-E45 VanDerWaalsContact NH2-CD 3.28Å; R33-E45 IonicContact NH2-OE1 3.2Å; R33-E45 PolarHBondContact NH2-OE1 2.97Å; R33-E45 IonicContact NH2-OE2 2.62Å; R33-E45 PolarHBondContact NH2-OE2 3.26Å; R33-E45 PolarHBondContact O-N 3.35Å; F35-E45 HydrophobicContact CD1-CB 4.45Å; F35-E45 HydrophobicContact CE1-CB 3.74Å; F35-E45 WeakPolarHBondContact CE1-OE2 3.28Å; E45-K47 HydrophobicContact CG-CG 4.31Å; E45-K47 WeakPolarHBondContact OE1-CE 2.99Å; E45-K47 IonicContact OE1-NZ 3.81Å; E45-K47 PolarHBondContact OE1-NZ 2.86Å
46T89.2Confident86.5Confident71 Ų71114.3 Ų114.344%0.43656%0.555SS.*EExtended strand (participates in β ladder)trans-108.2117.2178.8-55.10000108.3T30 V32T30-T46 HydrophobicContact CG2-CG2 3.56Å; V32-T46 HydrophobicContact CG2-CG2 4.05Å
47K87.5Confident87Confident78 Ų78112.6 Ų112.634%0.33956%0.562SS.*EExtended strand (participates in β ladder)trans-113.6126.4176.9-75.7-176.2170145.90110.5T30 V31 E45 Y49T30-K47 WeakPolarHBondContact CA-O 3.39Å; V31-K47 PolarHBondContact N-O 3.23Å; V31-K47 PolarHBondContact O-N 2.97Å; E45-K47 HydrophobicContact CG-CG 4.31Å; E45-K47 WeakPolarHBondContact OE1-CE 2.99Å; E45-K47 IonicContact OE1-NZ 3.81Å; E45-K47 PolarHBondContact OE1-NZ 2.86Å; K47-Y49 HydrophobicContact CB-CD2 4.45Å; K47-Y49 HydrophobicContact CB-CE2 3.66Å; K47-Y49 WeakPolarHBondContact CD-OH 3.37Å
48E90.2Very high87.4Confident133 Ų133113.7 Ų113.762%0.62158%0.575SS**EExtended strand (participates in β ladder)trans-101127.8175.3-67.1-175.2-179.300110.1I28 T30I28-E48 HydrophobicContact CG2-CB 3.73Å; I28-E48 HydrophobicContact CG2-CG 4.08Å; T30-E48 HydrophobicContact CG2-CG 4.22Å
49Y86.1Confident87.9Confident119 Ų119110.7 Ų110.747%0.46756%0.561SS.*EExtended strand (participates in β ladder)trans-117.6120.9-179.7-61-87.8000110.1I28 K29 V31 K47I28-Y49 WeakPolarHBondContact CA-O 3.4Å; K29-Y49 PolarHBondContact N-O 2.94Å; K29-Y49 PolarHBondContact O-N 2.91Å; V31-Y49 HydrophobicContact CB-CE2 4Å; V31-Y49 HydrophobicContact CG2-CD2 3.91Å; V31-Y49 HydrophobicContact CG2-CE2 3.71Å; K47-Y49 HydrophobicContact CB-CD2 4.45Å; K47-Y49 HydrophobicContact CB-CE2 3.66Å; K47-Y49 WeakPolarHBondContact CD-OH 3.37Å
50Q86.7Confident88.3Confident132 Ų132106.5 Ų106.562%0.61754%0.54SS*.EExtended strand (participates in β ladder)trans-107.8121.5172.2-164.3177.53100110I28 E52I28-Q50 HydrophobicContact CG1-CB 4.45Å; I28-Q50 HydrophobicContact CG1-CG 4.39Å; Q50-E52 PolarHBondContact O-N 2.87Å
51K81.2Confident88.8Confident172 Ų172105.6 Ų105.675%0.74853%0.528SS*.  trans-90.194.7175.7-73.4-177.3-178.4174.90109.8N27N27-K51 PolarHBondContact ND2-O 2.92Å
52E83.7Confident89.3Confident122 Ų122104.1 Ų104.157%0.5752%0.52SS*.  trans-87.9124.7174.4-160.6-169.1153.900110.9Q50 R54Q50-E52 PolarHBondContact O-N 2.87Å; E52-R54 VanDerWaalsContact CD-NE 3.25Å; E52-R54 HydrophobicContact CG-CG 4.29Å; E52-R54 WeakPolarHBondContact OE1-CG 3.14Å; E52-R54 IonicContact OE1-CZ 3.8Å; E52-R54 IonicContact OE1-NE 3.84Å; E52-R54 PolarHBondContact OE1-NE 3.16Å; E52-R54 IonicContact OE1-NH2 2.65Å; E52-R54 PolarHBondContact OE1-NH2 3.38Å; E52-R54 IonicContact OE2-CZ 3.43Å; E52-R54 IonicContact OE2-NE 3.57Å; E52-R54 PolarHBondContact OE2-NE 3.5Å; E52-R54 IonicContact OE2-NH2 2.83Å; E52-R54 PolarHBondContact OE2-NH2 2.96Å
53K84.6Confident89.7Confident209 Ų209105.6 Ų105.691%0.90952%0.519SS*.  trans-91.2108.5171.4-70.3-178.7-178.3175.60108.9
54R87.1Confident89.7Confident182 Ų182110.4 Ų110.469%0.68754%0.538SS*.  trans-100.8130.2173.5-66.6-169.7179.1170.78.6111.1E52E52-R54 VanDerWaalsContact CD-NE 3.25Å; E52-R54 HydrophobicContact CG-CG 4.29Å; E52-R54 WeakPolarHBondContact OE1-CG 3.14Å; E52-R54 IonicContact OE1-CZ 3.8Å; E52-R54 IonicContact OE1-NE 3.84Å; E52-R54 PolarHBondContact OE1-NE 3.16Å; E52-R54 IonicContact OE1-NH2 2.65Å; E52-R54 PolarHBondContact OE1-NH2 3.38Å; E52-R54 IonicContact OE2-CZ 3.43Å; E52-R54 IonicContact OE2-NE 3.57Å; E52-R54 PolarHBondContact OE2-NE 3.5Å; E52-R54 IonicContact OE2-NH2 2.83Å; E52-R54 PolarHBondContact OE2-NH2 2.96Å
55V91.8Very high89.7Confident150 Ų150112.3 Ų112.391%0.90955%0.546SS*.  trans-71128.8171.1-176.20000108.2
56V90.8Very high89.9Confident61 Ų61118.7 Ų118.737%0.3757%0.569SS.*  trans-129.2156.3177.2-64.40000109.3V60 A61V56-V60 HydrophobicContact CB-CB 4.28Å; V56-V60 HydrophobicContact CB-CG1 4.22Å; V56-V60 HydrophobicContact CG2-CB 4.44Å; V56-V60 HydrophobicContact CG2-CG1 4.43Å; V56-A61 HydrophobicContact CG2-CB 3.96Å
57A95.6Very high90.1Very high66 Ų66125.3 Ų125.355%0.54559%0.586SS.*  trans-57.2145.3173.700000111.1Q59 V60 A61A57-Q59 VanDerWaalsContact C-N 3.3Å; A57-Q59 PolarHBondContact O-N 3.14Å; A57-V60 HydrophobicContact CB-CG2 4.17Å; A57-V60 WeakPolarHBondContact O-CA 3.44Å; A57-V60 WeakPolarHBondContact O-CB 3.38Å; A57-V60 PolarHBondContact O-N 3.48Å; A57-A61 PolarHBondContact O-N 3.28Å; A57-A61 VanDerWaalsContact O-N 3.08Å
58S93.3Very high90.3Very high88 Ų88124.9 Ų124.962%0.61558%0.584SS**Hα-helixtrans-52.3-47.3-175.3-1690000112.5V60 A61 D62S58-V60 PolarHBondContact O-N 3.49Å; S58-A61 WeakPolarHBondContact O-CA 3.23Å; S58-A61 WeakPolarHBondContact O-CB 3.36Å; S58-A61 PolarHBondContact O-N 2.94Å; S58-D62 PolarHBondContact O-N 3.25Å
59Q94.9Very high90.4Very high139 Ų139126.9 Ų126.965%0.6559%0.59SS**Hα-helixtrans-59.4-32.7179-64.2-176.4-21.100113A57 R63A57-Q59 VanDerWaalsContact C-N 3.3Å; A57-Q59 PolarHBondContact O-N 3.14Å; Q59-R63 WeakPolarHBondContact O-CG 3.49Å; Q59-R63 PolarHBondContact O-N 2.84Å; Q59-R63 VanDerWaalsContact O-N 3.12Å
60V93.5Very high90.7Very high46 Ų46124 Ų12428%0.27960%0.598SS.*Hα-helixtrans-72-40.8175.7179.70000110.2V56 A57 S58 D62 R63 K64V56-V60 HydrophobicContact CB-CB 4.28Å; V56-V60 HydrophobicContact CB-CG1 4.22Å; V56-V60 HydrophobicContact CG2-CB 4.44Å; V56-V60 HydrophobicContact CG2-CG1 4.43Å; A57-V60 HydrophobicContact CB-CG2 4.17Å; A57-V60 WeakPolarHBondContact O-CA 3.44Å; A57-V60 WeakPolarHBondContact O-CB 3.38Å; A57-V60 PolarHBondContact O-N 3.48Å; S58-V60 PolarHBondContact O-N 3.49Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 3.49Å; V60-R63 PolarHBondContact O-N 3.44Å; V60-K64 WeakPolarHBondContact O-CG 3.36Å; V60-K64 PolarHBondContact O-N 3.09Å
61A91.8Very high90.9Very high31 Ų31122.7 Ų122.726%0.25661%0.609SS.*Hα-helixtrans-61.9-40.117600000111.8V56 A57 S58 K64 K65V56-A61 HydrophobicContact CG2-CB 3.96Å; A57-A61 PolarHBondContact O-N 3.28Å; A57-A61 VanDerWaalsContact O-N 3.08Å; S58-A61 WeakPolarHBondContact O-CA 3.23Å; S58-A61 WeakPolarHBondContact O-CB 3.36Å; S58-A61 PolarHBondContact O-N 2.94Å; A61-K64 PolarHBondContact O-N 2.89Å; A61-K65 WeakPolarHBondContact O-CG 3.41Å; A61-K65 PolarHBondContact O-N 3.37Å
62D94.9Very high91.2Very high75 Ų75116.6 Ų116.640%0.40159%0.588SS.*Hα-helixtrans-67.9-42.7178.2-63.3-33.7000111.5S58 V60 K64 K65S58-D62 PolarHBondContact O-N 3.25Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 3.49Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 3.4Å; D62-K65 PolarHBondContact O-N 2.94Å; D62-K65 VanDerWaalsContact O-N 3.15Å; D62-K65 IonicContact OD1-NZ 2.8Å
63R94.5Very high91.5Very high120 Ų120117.8 Ų117.845%0.45359%0.591SS.*Hα-helixtrans-62.1-35.8174.5-74.6-169.3-61.5-968.4113.1Q59 V60 K65 W66Q59-R63 WeakPolarHBondContact O-CG 3.49Å; Q59-R63 PolarHBondContact O-N 2.84Å; Q59-R63 VanDerWaalsContact O-N 3.12Å; V60-R63 PolarHBondContact O-N 3.44Å; R63-K65 PolarHBondContact O-N 2.83Å; R63-W66 HydrophobicContact CG-CE3 4.5Å; R63-W66 HydrophobicContact CG-CH2 3.97Å; R63-W66 HydrophobicContact CG-CZ2 3.96Å; R63-W66 HydrophobicContact CG-CZ3 4.23Å; R63-W66 WeakPolarHBondContact O-CB 3.35Å; R63-W66 PolarHBondContact O-N 3.39Å
64K89.9Confident91.7Very high157 Ų157113 Ų11368%0.68358%0.584SS**Hα-helixtrans-65.7-21.9177.1-78.4-176.1175.8-1720113.5V60 A61 D62 W66V60-K64 WeakPolarHBondContact O-CG 3.36Å; V60-K64 PolarHBondContact O-N 3.09Å; A61-K64 PolarHBondContact O-N 2.89Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 3.4Å; K64-W66 VanDerWaalsContact C-N 3.34Å
65K89.6Confident91.7Very high162 Ų162106 Ų10670%0.70456%0.561SS**THydrogen-bonded Turntrans-84.9-6.2177.9-64.9169.4-171.8166.40113.2A61 D62 R63A61-K65 WeakPolarHBondContact O-CG 3.41Å; A61-K65 PolarHBondContact O-N 3.37Å; D62-K65 PolarHBondContact O-N 2.94Å; D62-K65 VanDerWaalsContact O-N 3.15Å; D62-K65 IonicContact OD1-NZ 2.8Å; R63-K65 PolarHBondContact O-N 2.83Å
66W92Very high91.4Very high180 Ų180103.7 Ų103.768%0.68255%0.548SS*.SBendtrans-64.8136.9-179.1-70.5-3.8000111.8R63 K64R63-W66 HydrophobicContact CG-CE3 4.5Å; R63-W66 HydrophobicContact CG-CH2 3.97Å; R63-W66 HydrophobicContact CG-CZ2 3.96Å; R63-W66 HydrophobicContact CG-CZ3 4.23Å; R63-W66 WeakPolarHBondContact O-CB 3.35Å; R63-W66 PolarHBondContact O-N 3.39Å; K64-W66 VanDerWaalsContact C-N 3.34Å
67R91.9Very high91.1Very high210 Ų210107 Ų10779%0.79257%0.574SS**PPolyproline II helixtrans-67.8133.9173.2-177.2169.858.7142.9-2.1109.4
68K91.7Very high90.4Very high69 Ų69106.4 Ų106.430%0.358%0.575SS.*PPolyproline II helixtrans-62.4149.9174.4-59.1-176.1176.9-174.30110.9S72 D75 P76K68-S72 WeakPolarHBondContact CB-O 3.5Å; K68-S72 WeakPolarHBondContact CD-O 3.18Å; K68-D75 HydrophobicContact CD-CB 3.86Å; K68-D75 WeakPolarHBondContact CD-O 3.38Å; K68-D75 VanDerWaalsContact NZ-CB 3.33Å; K68-D75 PolarHBondContact NZ-O 2.79Å; K68-P76 PolarHBondContact NZ-O 2.99Å
69F93Very high89.7Confident174 Ų174105 Ų10576%0.76357%0.573SS**  trans-138.9172.7-177.159.7-92.3000111.2S72F69-S72 PolarHBondContact O-N 3.32Å
70G93.4Very high89Confident60 Ų60101 Ų10162%0.61956%0.556SS**G310 helixtrans62.3-136.5-178.500000112.4S72 K73G70-S72 PolarHBondContact O-N 3.26Å; G70-K73 WeakPolarHBondContact O-CB 3.46Å; G70-K73 PolarHBondContact O-N 3.22Å
71A89.6Confident88.3Confident104 Ų104105.8 Ų105.886%0.8658%0.58SS**G310 helixtrans-62.3-22.8179.200000113.7
72S88.3Confident87.7Confident43 Ų43107 Ų10730%0.30159%0.59SS.*G310 helixtrans-96.410-179.1-69.40000114.3K68 F69 G70 S74 D75K68-S72 WeakPolarHBondContact CB-O 3.5Å; K68-S72 WeakPolarHBondContact CD-O 3.18Å; F69-S72 PolarHBondContact O-N 3.32Å; G70-S72 PolarHBondContact O-N 3.26Å; S72-S74 PolarHBondContact O-N 3.5Å; S72-D75 WeakPolarHBondContact CA-OD2 3.32Å; S72-D75 WeakPolarHBondContact CB-OD2 3.44Å; S72-D75 WeakPolarHBondContact O-CB 3.3Å; S72-D75 PolarHBondContact O-N 3.11Å; S72-D75 VanDerWaalsContact O-N 3.09Å; S72-D75 PolarHBondContact OG-OD2 3.5Å
73K89.8Confident87Confident148 Ų148109.6 Ų109.664%0.64360%0.604SS**THydrogen-bonded Turntrans-58.1-33.7-175.7-175-179.6176.8-173.60113.4G70G70-K73 WeakPolarHBondContact O-CB 3.46Å; G70-K73 PolarHBondContact O-N 3.22Å
74S88Confident86.3Confident107 Ų107107.6 Ų107.675%0.74861%0.605SS**THydrogen-bonded Turntrans-92.6-4.1179.749.50000114S72S72-S74 PolarHBondContact O-N 3.5Å
75D87.5Confident85.7Confident37 Ų37108 Ų10820%0.19860%0.603CS.*PPolyproline II helixtrans-73.2135.4-174.3-69-19.8000111.3K68 S72 N80K68-D75 HydrophobicContact CD-CB 3.86Å; K68-D75 WeakPolarHBondContact CD-O 3.38Å; K68-D75 VanDerWaalsContact NZ-CB 3.33Å; K68-D75 PolarHBondContact NZ-O 2.79Å; S72-D75 WeakPolarHBondContact CA-OD2 3.32Å; S72-D75 WeakPolarHBondContact CB-OD2 3.44Å; S72-D75 WeakPolarHBondContact O-CB 3.3Å; S72-D75 PolarHBondContact O-N 3.11Å; S72-D75 VanDerWaalsContact O-N 3.09Å; S72-D75 PolarHBondContact OG-OD2 3.5Å; D75-N80 PolarHBondContact OD1-ND2 3.11Å
76P85.5Confident85.2Confident101 Ų101106 Ų10666%0.65661%0.607SS**PPolyproline II helixtrans-63.7159.8175.927.8-34.7000111.6K68 G78K68-P76 PolarHBondContact NZ-O 2.99Å; P76-G78 PolarHBondContact O-N 2.97Å
77S83.8Confident84.5Confident131 Ų131101.9 Ų101.992%0.91661%0.611SS**SBendtrans-61.2130.3174-171.80000110.3
78G80.8Confident84.2Confident53 Ų5398.8 Ų98.855%0.54661%0.611SS.*SBendtrans120.9-177.7-174.400000113.3P76P76-G78 PolarHBondContact O-N 2.97Å
79G78.7Confident83.8Confident57 Ų57102.2 Ų102.259%0.58864%0.637SS**  trans-69.6142.1172.100000110.7T84G79-T84 WeakPolarHBondContact CA-OG1 3.41Å
80N80.8Confident83.4Confident55 Ų5599.2 Ų99.229%0.29463%0.633SS.*  trans-98.5137172.6-173.2-16.3000107.7D75 A82 N83 T84D75-N80 PolarHBondContact OD1-ND2 3.11Å; N80-A82 PolarHBondContact O-N 3.49Å; N80-A82 VanDerWaalsContact O-N 3.08Å; N80-A82 PolarHBondContact OD1-N 2.98Å; N80-N83 CarbonylContact O-C 3.55Å; N80-N83 PolarHBondContact O-N 3Å; N80-T84 WeakPolarHBondContact O-CB 3.1Å; N80-T84 PolarHBondContact O-N 2.91Å; N80-T84 PolarHBondContact O-OG1 2.93Å
81L79.2Confident83Confident147 Ų147102.3 Ų102.377%0.7764%0.64SS**THydrogen-bonded Turntrans-53.6-29177.2-74.8149.3000112.4N83 Y85L81-N83 VanDerWaalsContact C-N 3.29Å; L81-N83 PolarHBondContact O-N 3.49Å; L81-Y85 WeakPolarHBondContact O-CE1 3.22Å; L81-Y85 PolarHBondContact O-OH 3.32Å
82A79.7Confident82.5Confident58 Ų58105.3 Ų105.348%0.47964%0.638SS.*THydrogen-bonded Turntrans-62.1-33.9175.600000113.6N80 Y85N80-A82 PolarHBondContact O-N 3.49Å; N80-A82 VanDerWaalsContact O-N 3.08Å; N80-A82 PolarHBondContact OD1-N 2.98Å; A82-Y85 WeakPolarHBondContact O-CE2 3.42Å; A82-Y85 PolarHBondContact O-OH 2.91Å
83N79.6Confident82.1Confident128 Ų128110.7 Ų110.768%0.68466%0.658SS**THydrogen-bonded Turntrans-125.1-5.8-169.3-61.75000113.4N80 L81N80-N83 CarbonylContact O-C 3.55Å; N80-N83 PolarHBondContact O-N 3Å; L81-N83 VanDerWaalsContact C-N 3.29Å; L81-N83 PolarHBondContact O-N 3.49Å
84T79.2Confident81.7Confident78 Ų78111.9 Ų111.948%0.47967%0.67SS.*  trans-131.5101.3-174.2-520000108.4G79 N80G79-T84 WeakPolarHBondContact CA-OG1 3.41Å; N80-T84 WeakPolarHBondContact O-CB 3.1Å; N80-T84 PolarHBondContact O-N 2.91Å; N80-T84 PolarHBondContact O-OG1 2.93Å
85Y78.3Confident81.2Confident165 Ų165110.1 Ų110.165%0.64766%0.655SS**  trans-104.5151.3173-59.4-86.4000108.8L81 A82 A87L81-Y85 WeakPolarHBondContact O-CE1 3.22Å; L81-Y85 PolarHBondContact O-OH 3.32Å; A82-Y85 WeakPolarHBondContact O-CE2 3.42Å; A82-Y85 PolarHBondContact O-OH 2.91Å; Y85-A87 PolarHBondContact O-N 3.46Å
86P79.6Confident80.8Confident121 Ų121117.9 Ų117.979%0.78669%0.69SS**PPolyproline II helixtrans-54.4128.6168.125.1-32.8000108.2D88P86-D88 PolarHBondContact O-N 2.9Å
87A76.3Confident80.3Confident93 Ų93116.7 Ų116.777%0.76968%0.684SS**PPolyproline II helixtrans-63.7133-173.500000110.8Y85Y85-A87 PolarHBondContact O-N 3.46Å
88D84.7Confident79.5Confident146 Ų146122.8 Ų122.878%0.78169%0.687SS**PPolyproline II helixtrans-65.9136.8166.6-70.1-24.4000109.4P86 V90P86-D88 PolarHBondContact O-N 2.9Å; D88-V90 PolarHBondContact O-N 3.42Å
89V85.3Confident78.7Confident141 Ų141124 Ų12486%0.85568%0.678SS**  trans-74.197.8177-178.50000108.6
90V83.9Confident78.1Confident111 Ų111124.8 Ų124.867%0.67367%0.673SS**  trans-89.6109.7175.4-177.10000109.6D88 M92D88-V90 PolarHBondContact O-N 3.42Å; V90-M92 HydrophobicContact CG1-CG 4.17Å; V90-M92 PolarHBondContact O-N 3.28Å
91T84.6Confident77.3Confident125 Ų125128.4 Ų128.477%0.76769%0.688SS**  trans-78.9105.1173.453.90000110.1
92M80.1Confident76.5Confident166 Ų166128.9 Ų128.982%0.81869%0.687SS**  trans-91.4123.3174.6-66.4-174.6-75.800110.5V90V90-M92 HydrophobicContact CG1-CG 4.17Å; V90-M92 PolarHBondContact O-N 3.28Å
93Q79.6Confident75.6Confident156 Ų156130.9 Ų130.973%0.72969%0.686SS**  trans-99.5122.1169.8-67.3-175.2-2.100109.6V95Q93-V95 PolarHBondContact O-N 3.36Å
94I80.3Confident74.7Confident173 Ų173127.5 Ų127.589%0.88767%0.666SS**  trans-83.9111.7176.8-57.2171.6000107.8
95V77.8Confident74.1Confident71 Ų71129 Ų12943%0.4367%0.666SS.*  trans-105.8129.8179.4-1540000109.1Q93 S97Q93-V95 PolarHBondContact O-N 3.36Å; V95-S97 WeakPolarHBondContact CG1-O 3.39Å; V95-S97 PolarHBondContact O-N 3.46Å
96Q78.4Confident73.5Confident200 Ų200127.6 Ų127.694%0.93566%0.663SS**SBendtrans-66-17-178.9-68.9-176.8-17.200113.3
97S75.4Confident72.7Confident75 Ų75126.4 Ų126.452%0.52465%0.647SS.*SBendtrans-135.4133.6-177.8-45.10000108.9V95 Q99V95-S97 WeakPolarHBondContact CG1-O 3.39Å; V95-S97 PolarHBondContact O-N 3.46Å; S97-Q99 VanDerWaalsContact C-N 3.27Å; S97-Q99 PolarHBondContact O-N 3.15Å
98R68Low72.2Confident259 Ų259127.1 Ų127.198%0.97764%0.635SS**  trans-67.886.6170.8-78.8-179174171.9-2.3108.8
99Q63.9Low71.3Confident78 Ų78125.9 Ų125.936%0.36462%0.624SS.*  trans-74136.6163.4-71.3-1795.200108.3S97 E101 Q104S97-Q99 VanDerWaalsContact C-N 3.27Å; S97-Q99 PolarHBondContact O-N 3.15Å; Q99-E101 PolarHBondContact O-N 3.28Å; Q99-Q104 HydrophobicContact CB-CG 4.49Å
100P64.8Low70.2Confident75 Ų75124.1 Ų124.149%0.48761%0.608SS.*  trans-60.3135.2173.125.4-31.7000109.3Q102 E103P100-Q102 PolarHBondContact O-N 3.03Å; P100-E103 HydrophobicContact CG-CG 4.09Å; P100-E103 PolarHBondContact O-N 3.48Å
101E65.2Low69.4Low130 Ų130123.2 Ų123.261%0.60760%0.599SS**Hα-helixtrans-50.3-25-173.8-147.3-170.913700114Q99 K105Q99-E101 PolarHBondContact O-N 3.28Å; E101-K105 PolarHBondContact O-N 2.78Å; E101-K105 WeakPolarHBondContact OE1-CE 3.13Å; E101-K105 IonicContact OE1-NZ 2.82Å; E101-K105 PolarHBondContact OE1-NZ 3.33Å
102Q61Low68.6Low158 Ų158121 Ų12174%0.73859%0.585SS**Hα-helixtrans-68.9-30176.8-69.9179.5-11.600114.1P100 K106P100-Q102 PolarHBondContact O-N 3.03Å; Q102-K106 WeakPolarHBondContact O-CG 3.17Å; Q102-K106 PolarHBondContact O-N 2.83Å
103E61.3Low67.7Low99 Ų99119 Ų11946%0.46357%0.572SS.*Hα-helixtrans-77.4-36178-73.1179.116800111.7P100 K106 Q107P100-E103 HydrophobicContact CG-CG 4.09Å; P100-E103 PolarHBondContact O-N 3.48Å; E103-K106 PolarHBondContact O-N 2.97Å; E103-Q107 WeakPolarHBondContact O-CG 3.09Å; E103-Q107 PolarHBondContact O-N 2.79Å
104Q60.7Low66.8Low58 Ų58116.9 Ų116.927%0.27156%0.564SS.*Hα-helixtrans-64.6-47.7175.1-70.4178.4-10.200111.1Q99 K106 Q107 E108Q99-Q104 HydrophobicContact CB-CG 4.49Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; Q104-K106 PolarHBondContact O-N 2.95Å; Q104-Q107 PolarHBondContact O-N 2.94Å; Q104-Q107 VanDerWaalsContact O-N 3.13Å; Q104-E108 WeakPolarHBondContact O-CG 3.3Å; Q104-E108 PolarHBondContact O-N 2.94Å
105K66.6Low65.8Low109 Ų109117.6 Ų117.647%0.47456%0.561SS.*Hα-helixtrans-59.1-41.2175.8-72.2177.3-175.6164.40112.2E101 E108 E109E101-K105 PolarHBondContact O-N 2.78Å; E101-K105 WeakPolarHBondContact OE1-CE 3.13Å; E101-K105 IonicContact OE1-NZ 2.82Å; E101-K105 PolarHBondContact OE1-NZ 3.33Å; K105-E108 PolarHBondContact O-N 2.81Å; K105-E109 WeakPolarHBondContact O-CB 3.4Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.23Å
106K66.8Low64.9Low135 Ų135120.5 Ų120.559%0.58757%0.574SS**Hα-helixtrans-62.6-43.2174.4-83.4-178.3177.31780112.7Q102 E103 Q104 E109 M110Q102-K106 WeakPolarHBondContact O-CG 3.17Å; Q102-K106 PolarHBondContact O-N 2.83Å; E103-K106 PolarHBondContact O-N 2.97Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; Q104-K106 PolarHBondContact O-N 2.95Å; K106-E109 PolarHBondContact O-N 3.28Å; K106-M110 HydrophobicContact CB-CE 4.17Å; K106-M110 WeakPolarHBondContact O-CB 3.4Å; K106-M110 WeakPolarHBondContact O-CE 3.37Å; K106-M110 VanDerWaalsContact O-CG 3.24Å; K106-M110 WeakPolarHBondContact O-CG 3.44Å; K106-M110 PolarHBondContact O-N 3.33Å
107Q61.9Low63.8Low96 Ų96114 Ų11445%0.44956%0.56SS.*Hα-helixtrans-67-38.8178.2-74.7178.71900112.2E103 Q104 M110 N111E103-Q107 WeakPolarHBondContact O-CG 3.09Å; E103-Q107 PolarHBondContact O-N 2.79Å; Q104-Q107 PolarHBondContact O-N 2.94Å; Q104-Q107 VanDerWaalsContact O-N 3.13Å; Q107-M110 HydrophobicContact CG-CE 4.19Å; Q107-M110 PolarHBondContact O-N 3.34Å; Q107-N111 WeakPolarHBondContact O-CB 3.25Å; Q107-N111 VanDerWaalsContact O-CG 3.28Å; Q107-N111 PolarHBondContact O-N 2.85Å; Q107-N111 PolarHBondContact O-ND2 2.86Å
108E65.9Low63Low109 Ų109117.1 Ų117.151%0.50957%0.566SS.*Hα-helixtrans-63.6-46.5174.3-72.3177.6167.900111.4Q104 K105 M110 N111 V112Q104-E108 WeakPolarHBondContact O-CG 3.3Å; Q104-E108 PolarHBondContact O-N 2.94Å; K105-E108 PolarHBondContact O-N 2.81Å; E108-M110 VanDerWaalsContact C-N 3.34Å; E108-M110 PolarHBondContact O-N 2.63Å; E108-N111 PolarHBondContact O-N 3.11Å; E108-V112 WeakPolarHBondContact O-CB 3.25Å; E108-V112 VanDerWaalsContact O-CG2 3.23Å; E108-V112 WeakPolarHBondContact O-CG2 3.42Å; E108-V112 PolarHBondContact O-N 2.85Å
109E66Low62.5Low119 Ų119109.7 Ų109.756%0.55655%0.552SS**Hα-helixtrans-60-41.1174.9-75.6177.2178.200112.5K105 K106 K113K105-E109 WeakPolarHBondContact O-CB 3.4Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.23Å; K106-E109 PolarHBondContact O-N 3.28Å; E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 3.36Å
110M62.6Low62.5Low105 Ų105111.6 Ų111.652%0.51757%0.569SS.*Hα-helixtrans-65.2-44175.6-74-174.3-78.100111.7K106 Q107 E108 V112 K113 I114K106-M110 HydrophobicContact CB-CE 4.17Å; K106-M110 WeakPolarHBondContact O-CB 3.4Å; K106-M110 WeakPolarHBondContact O-CE 3.37Å; K106-M110 VanDerWaalsContact O-CG 3.24Å; K106-M110 WeakPolarHBondContact O-CG 3.44Å; K106-M110 PolarHBondContact O-N 3.33Å; Q107-M110 HydrophobicContact CG-CE 4.19Å; Q107-M110 PolarHBondContact O-N 3.34Å; E108-M110 VanDerWaalsContact C-N 3.34Å; E108-M110 PolarHBondContact O-N 2.63Å; M110-V112 VanDerWaalsContact C-N 3.35Å; M110-V112 PolarHBondContact O-N 3.46Å; M110-K113 PolarHBondContact O-N 3.05Å; M110-I114 WeakPolarHBondContact O-CD1 3.26Å; M110-I114 VanDerWaalsContact O-CG1 3.27Å; M110-I114 WeakPolarHBondContact O-CG1 3.15Å; M110-I114 PolarHBondContact O-N 2.98Å
111N67.1Low62.8Low92 Ų92111 Ų11149%0.49256%0.56SS.*Hα-helixtrans-66.9-34.8178.2-77.2-19.9000112.7Q107 E108 I114 K115Q107-N111 WeakPolarHBondContact O-CB 3.25Å; Q107-N111 VanDerWaalsContact O-CG 3.28Å; Q107-N111 PolarHBondContact O-N 2.85Å; Q107-N111 PolarHBondContact O-ND2 2.86Å; E108-N111 PolarHBondContact O-N 3.11Å; N111-I114 PolarHBondContact O-N 3.17Å; N111-K115 WeakPolarHBondContact O-CG 3.01Å; N111-K115 PolarHBondContact O-N 3.16Å
112V66.9Low63.4Low78 Ų78108.9 Ų108.947%0.47356%0.556SS.*Hα-helixtrans-67-43.7174.6169.30000110.5E108 M110 I114 K115 L116E108-V112 WeakPolarHBondContact O-CB 3.25Å; E108-V112 VanDerWaalsContact O-CG2 3.23Å; E108-V112 WeakPolarHBondContact O-CG2 3.42Å; E108-V112 PolarHBondContact O-N 2.85Å; M110-V112 VanDerWaalsContact C-N 3.35Å; M110-V112 PolarHBondContact O-N 3.46Å; V112-I114 VanDerWaalsContact C-N 3.33Å; V112-I114 PolarHBondContact O-N 2.89Å; V112-K115 PolarHBondContact O-N 2.82Å; V112-L116 HydrophobicContact CG1-CD1 3.47Å; V112-L116 VanDerWaalsContact CG1-CD1 3.47Å; V112-L116 HydrophobicContact CG1-CG 4.46Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 WeakPolarHBondContact O-CD1 3.44Å; V112-L116 WeakPolarHBondContact O-CG 3.4Å; V112-L116 PolarHBondContact O-N 3.42Å
113K61.6Low64.4Low125 Ų125101.4 Ų101.454%0.54352%0.521SS..Hα-helixtrans-60.7-38.4174.3-74.9174.9179.6177.70112.9E109 M110 L116E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 3.36Å; M110-K113 PolarHBondContact O-N 3.05Å; K113-L116 PolarHBondContact O-N 3.21Å
114I60.2Low65.4Low111 Ų111103.3 Ų103.357%0.56954%0.535SS*.Hα-helixtrans-67.2-40.1175.5-65.3162.7000111.4M110 N111 V112M110-I114 WeakPolarHBondContact O-CD1 3.26Å; M110-I114 VanDerWaalsContact O-CG1 3.27Å; M110-I114 WeakPolarHBondContact O-CG1 3.15Å; M110-I114 PolarHBondContact O-N 2.98Å; N111-I114 PolarHBondContact O-N 3.17Å; V112-I114 VanDerWaalsContact C-N 3.33Å; V112-I114 PolarHBondContact O-N 2.89Å
115K60.5Low66.3Low187 Ų187104.6 Ų104.681%0.81354%0.538SS*.Hα-helixtrans-72.9-24.7178.5-76.3-178.8179.3178.50113.8N111 V112 G117N111-K115 WeakPolarHBondContact O-CG 3.01Å; N111-K115 PolarHBondContact O-N 3.16Å; V112-K115 PolarHBondContact O-N 2.82Å; K115-G117 VanDerWaalsContact C-N 3.25Å; K115-G117 PolarHBondContact O-N 2.86Å
116L57.3Low66.9Low133 Ų133101.6 Ų101.670%0.69653%0.53SS*.THydrogen-bonded Turntrans-80.95.7179.6-80.4157.4000114.4V112 K113 E118V112-L116 HydrophobicContact CG1-CD1 3.47Å; V112-L116 VanDerWaalsContact CG1-CD1 3.47Å; V112-L116 HydrophobicContact CG1-CG 4.46Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 WeakPolarHBondContact O-CD1 3.44Å; V112-L116 WeakPolarHBondContact O-CG 3.4Å; V112-L116 PolarHBondContact O-N 3.42Å; K113-L116 PolarHBondContact O-N 3.21Å; L116-E118 PolarHBondContact O-N 2.85Å
117G55.2Low67.4Low63 Ų63103.6 Ų103.665%0.64954%0.539SS*.THydrogen-bonded Turntrans76.916.4167.300000115.5K115 P119K115-G117 VanDerWaalsContact C-N 3.25Å; K115-G117 PolarHBondContact O-N 2.86Å; G117-P119 WeakPolarHBondContact O-CD 3.43Å
118E58.4Low68.2Low140 Ų140100.2 Ų100.265%0.65453%0.529SS*.  trans-78.4116.3173.3-156.9162.2-159.400109.1L116 V120L116-E118 PolarHBondContact O-N 2.85Å; E118-V120 PolarHBondContact O-N 3.38Å
119P57.5Low69Low104 Ų10498.8 Ų98.868%0.67554%0.544SS*.  trans-70.3107.5-175.427.5-32000109.4G117 I121G117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-I121 HydrophobicContact CB-CD1 4.44Å; P119-I121 PolarHBondContact O-N 3.42Å
120V65.7Low69.8Low118 Ų11895.4 Ų95.472%0.71553%0.528SS*.  trans-71.760.2173.8-168.80000109.8E118E118-V120 PolarHBondContact O-N 3.38Å
121I70.8Confident70.8Confident62 Ų6296.8 Ų96.832%0.31853%0.531SS..  trans-119.3105174.6-61.9159.9000107.2P119 G129 F131P119-I121 HydrophobicContact CB-CD1 4.44Å; P119-I121 PolarHBondContact O-N 3.42Å; I121-G129 CarbonylContact O-C 3.59Å; I121-G129 WeakPolarHBondContact O-CA 3.49Å; I121-F131 HydrophobicContact CD1-CE1 3.82Å; I121-F131 HydrophobicContact CD1-CE2 4Å; I121-F131 HydrophobicContact CD1-CZ 3.46Å; I121-F131 VanDerWaalsContact CD1-CZ 3.46Å; I121-F131 HydrophobicContact CG1-CE1 4.35Å; I121-F131 HydrophobicContact CG1-CZ 4.45Å; I121-F131 HydrophobicContact CG2-CD1 3.9Å; I121-F131 HydrophobicContact CG2-CE1 4.1Å; I121-F131 HydrophobicContact CG2-CG 4.18Å
122V77.9Confident71.6Confident86 Ų8694.4 Ų94.452%0.52152%0.52SS..  trans-108126179-177.70000107.9N124 K127 G128V122-N124 PolarHBondContact O-N 3.01Å; V122-K127 HydrophobicContact CG1-CB 4.02Å; V122-G128 WeakPolarHBondContact CA-O 3.37Å
123C82.4Confident72.4Confident0 Ų0102 Ų1020%054%0.54CS..  trans-66.9130.4176.6173.20000110.7Y125 C126 K127 G128 H130 C135C123-Y125 VanDerWaalsContact C-N 3.27Å; C123-Y125 PolarHBondContact O-N 3.11Å; C123-Y125 PolarHBondContact SG-N 3.33Å; C123-Y125 VanDerWaalsContact SG-N 3.39Å; C123-C126 VanDerWaalsContact SG-SG 3.67Å; C123-K127 WeakPolarHBondContact O-CA 3.28Å; C123-K127 PolarHBondContact O-N 3.14Å; C123-G128 PolarHBondContact N-O 2.88Å; C123-H130 WeakPolarHBondContact CA-O 3.36Å; C123-H130 WeakPolarHBondContact CB-NE2 3.49Å; C123-H130 WeakPolarHBondContact CB-O 3.35Å; C123-H130 PolarHBondContact N-O 3Å; C123-H130 PolarHBondContact SG-NE2 2.96Å; C123-H130 VanDerWaalsContact SG-NE2 3.44Å; C123-C135 VanDerWaalsContact SG-SG 3.67Å
124N81.2Confident73.3Confident140 Ų140100.9 Ų100.975%0.74954%0.544SS*.THydrogen-bonded Turntrans-64.6-27.1179.6-75.4-4.8000114V122 T132V122-N124 PolarHBondContact O-N 3.01Å; N124-T132 HydrophobicContact CB-CG2 3.92Å; N124-T132 PolarHBondContact N-OG1 3.47Å
125Y80.3Confident74.4Confident85 Ų8596.2 Ų96.233%0.33352%0.521SS..THydrogen-bonded Turntrans-82.1-50.3-179.5-63.5-71.2000113.6C123 T132 C135 K138 M141C123-Y125 VanDerWaalsContact C-N 3.27Å; C123-Y125 PolarHBondContact O-N 3.11Å; C123-Y125 PolarHBondContact SG-N 3.33Å; C123-Y125 VanDerWaalsContact SG-N 3.39Å; Y125-T132 HydrophobicContact CD2-CG2 3.53Å; Y125-T132 HydrophobicContact CE2-CG2 3.36Å; Y125-C135 HydrophobicContact CD2-CB 4.27Å; Y125-K138 HydrophobicContact CE2-CG 4.46Å; Y125-M141 HydrophobicContact CD1-CB 4.36Å
126C78.1Confident75.6Confident45 Ų4591.7 Ų91.730%0.30451%0.511SS..THydrogen-bonded Turntrans-116.71.8-171.966.40000114.9C123 G128 H130 C135 Y137C123-C126 VanDerWaalsContact SG-SG 3.67Å; C126-G128 PolarHBondContact O-N 3.04Å; C126-G128 VanDerWaalsContact O-N 3.09Å; C126-H130 PolarHBondContact SG-CE1 2.69Å; C126-H130 PolarHBondContact SG-NE2 3.1Å; C126-C135 VanDerWaalsContact SG-SG 3.63Å; C126-Y137 HydrophobicContact CB-CD2 3.84Å
127K78.4Confident76.7Confident178 Ų17891.6 Ų91.677%0.77450%0.502SS*.  trans5718-176.1-55.8-179.2-178.5-179.90115.4V122 C123V122-K127 HydrophobicContact CG1-CB 4.02Å; C123-K127 WeakPolarHBondContact O-CA 3.28Å; C123-K127 PolarHBondContact O-N 3.14Å
128G78.5Confident77.9Confident24 Ų2492.8 Ų92.825%0.24749%0.489CS..  trans-80.2165.9173.800000113.4V122 C123 C126 H130V122-G128 WeakPolarHBondContact CA-O 3.37Å; C123-G128 PolarHBondContact N-O 2.88Å; C126-G128 PolarHBondContact O-N 3.04Å; C126-G128 VanDerWaalsContact O-N 3.09Å; G128-H130 VanDerWaalsContact C-N 3.25Å; G128-H130 PolarHBondContact O-N 3.48Å
129G82.1Confident78.9Confident79 Ų7989.6 Ų89.681%0.81448%0.482SS*.SBendtrans-7656.5179.500000114.9I121I121-G129 CarbonylContact O-C 3.59Å; I121-G129 WeakPolarHBondContact O-CA 3.49Å
130H83.5Confident80Confident49 Ų4989.1 Ų89.123%0.22747%0.474CS..SBendtrans-147.6161.8176.855-92.6000111.9C123 C126 G128 C135C123-H130 WeakPolarHBondContact CA-O 3.36Å; C123-H130 WeakPolarHBondContact CB-NE2 3.49Å; C123-H130 WeakPolarHBondContact CB-O 3.35Å; C123-H130 PolarHBondContact N-O 3Å; C123-H130 PolarHBondContact SG-NE2 2.96Å; C123-H130 VanDerWaalsContact SG-NE2 3.44Å; C126-H130 PolarHBondContact SG-CE1 2.69Å; C126-H130 PolarHBondContact SG-NE2 3.1Å; G128-H130 VanDerWaalsContact C-N 3.25Å; G128-H130 PolarHBondContact O-N 3.48Å; H130-C135 WeakPolarHBondContact NE2-CA 3.44Å
131F82.3Confident80.3Confident134 Ų13486.9 Ų86.959%0.58846%0.457SS*.  trans-64.8137174.2-69.4-79.8000111.1I121 R133 T134I121-F131 HydrophobicContact CD1-CE1 3.82Å; I121-F131 HydrophobicContact CD1-CE2 4Å; I121-F131 HydrophobicContact CD1-CZ 3.46Å; I121-F131 VanDerWaalsContact CD1-CZ 3.46Å; I121-F131 HydrophobicContact CG1-CE1 4.35Å; I121-F131 HydrophobicContact CG1-CZ 4.45Å; I121-F131 HydrophobicContact CG2-CD1 3.9Å; I121-F131 HydrophobicContact CG2-CE1 4.1Å; I121-F131 HydrophobicContact CG2-CG 4.18Å; F131-R133 PolarHBondContact O-N 2.81Å; F131-T134 PolarHBondContact O-N 2.89Å
132T84.5Confident80.7Confident42 Ų4288 Ų8826%0.25846%0.461SS..G310 helixtrans-50-26.8178.7-53.10000114.1N124 Y125 T134N124-T132 HydrophobicContact CB-CG2 3.92Å; N124-T132 PolarHBondContact N-OG1 3.47Å; Y125-T132 HydrophobicContact CD2-CG2 3.53Å; Y125-T132 HydrophobicContact CE2-CG2 3.36Å; T132-T134 VanDerWaalsContact C-N 3.35Å
133R83.9Confident80.7Confident236 Ų23686.7 Ų86.789%0.89146%0.459SS*.G310 helixtrans-73.3-23.2178.3-60.3-173.878.8-172.54.7113.9F131F131-R133 PolarHBondContact O-N 2.81Å
134T81Confident80.3Confident103 Ų10392.6 Ų92.663%0.63249%0.488SS*.G310 helixtrans-109.820.6-174.6-29.90000111.5F131 T132 P136F131-T134 PolarHBondContact O-N 2.89Å; T132-T134 VanDerWaalsContact C-N 3.35Å; T134-P136 WeakPolarHBondContact O-CD 3.4Å
135C83.2Confident80Confident12 Ų1291.2 Ų91.28%0.08148%0.477CS..  trans-65.3121.1-177.7-175.20000111.1C123 Y125 C126 H130 Y137 K138C123-C135 VanDerWaalsContact SG-SG 3.67Å; Y125-C135 HydrophobicContact CD2-CB 4.27Å; C126-C135 VanDerWaalsContact SG-SG 3.63Å; H130-C135 WeakPolarHBondContact NE2-CA 3.44Å; C135-Y137 PolarHBondContact O-N 2.96Å; C135-Y137 PolarHBondContact SG-N 3.39Å; C135-K138 HydrophobicContact CB-CB 4.32Å; C135-K138 PolarHBondContact O-N 3.24Å
136P84.8Confident80Confident92 Ų9292.2 Ų92.260%0.59749%0.488SS*.THydrogen-bonded Turntrans-59.4-27.9176-21.932.5000113T134T134-P136 WeakPolarHBondContact O-CD 3.4Å
137Y81.3Confident80Confident131 Ų13194.9 Ų94.951%0.51450%0.498SS..THydrogen-bonded Turntrans-98.213.9-174.9-53.5-71.7000113.7C126 C135 S139 D140 M141C126-Y137 HydrophobicContact CB-CD2 3.84Å; C135-Y137 PolarHBondContact O-N 2.96Å; C135-Y137 PolarHBondContact SG-N 3.39Å; Y137-S139 VanDerWaalsContact C-N 3.32Å; Y137-S139 PolarHBondContact O-N 3.41Å; Y137-D140 PolarHBondContact O-N 3.45Å; Y137-M141 VanDerWaalsContact O-CG 3.28Å; Y137-M141 WeakPolarHBondContact O-CG 3.27Å; Y137-M141 PolarHBondContact O-N 2.84Å
138K81Confident79.7Confident88 Ų8891.3 Ų91.338%0.38348%0.484SS..Hα-helixtrans-59-43.8-174.6-174.3179172.3-168.80112.1Y125 C135 E142Y125-K138 HydrophobicContact CE2-CG 4.46Å; C135-K138 HydrophobicContact CB-CB 4.32Å; C135-K138 PolarHBondContact O-N 3.24Å; K138-E142 WeakPolarHBondContact CE-OE1 3.37Å; K138-E142 IonicContact NZ-OE1 3.9Å; K138-E142 WeakPolarHBondContact O-CG 3.42Å; K138-E142 PolarHBondContact O-N 3.4Å; K138-E142 VanDerWaalsContact O-N 3.11Å
139S79.2Confident79.6Confident73 Ų7395.5 Ų95.551%0.5150%0.497SS..Hα-helixtrans-62.6-41.8178.450.40000112.9Y137 A143Y137-S139 VanDerWaalsContact C-N 3.32Å; Y137-S139 PolarHBondContact O-N 3.41Å; S139-A143 WeakPolarHBondContact O-CB 3.43Å; S139-A143 PolarHBondContact O-N 2.96Å
140D79.1Confident79.1Confident94 Ų9497.9 Ų97.950%0.50349%0.487SS..Hα-helixtrans-73-37.6-174.3-62.8-0.2000110.6Y137 A143 M144Y137-D140 PolarHBondContact O-N 3.45Å; D140-A143 PolarHBondContact O-N 3.27Å; D140-M144 WeakPolarHBondContact O-CG 3.44Å; D140-M144 PolarHBondContact O-N 3.42Å
141M72.6Confident78.2Confident72 Ų72100.8 Ų100.836%0.35550%0.504SS..Hα-helixtrans-73-35.5177.8-62.5-60.4-69.200112.2Y125 Y137 A143 M144 Q145Y125-M141 HydrophobicContact CD1-CB 4.36Å; Y137-M141 VanDerWaalsContact O-CG 3.28Å; Y137-M141 WeakPolarHBondContact O-CG 3.27Å; Y137-M141 PolarHBondContact O-N 2.84Å; M141-A143 VanDerWaalsContact C-N 3.34Å; M141-M144 PolarHBondContact O-N 2.98Å; M141-M144 HydrophobicContact SD-SD 4.34Å; M141-Q145 PolarHBondContact O-N 3.37Å
142E79.2Confident77.3Confident86 Ų86102.5 Ų102.540%0.40251%0.507SS..Hα-helixtrans-64.2-39.8171.6-78.6175-179.100111.2K138 Q145 L146K138-E142 WeakPolarHBondContact CE-OE1 3.37Å; K138-E142 IonicContact NZ-OE1 3.9Å; K138-E142 WeakPolarHBondContact O-CG 3.42Å; K138-E142 PolarHBondContact O-N 3.4Å; K138-E142 VanDerWaalsContact O-N 3.11Å; E142-Q145 PolarHBondContact O-N 3.02Å; E142-L146 WeakPolarHBondContact O-CG 3.42Å; E142-L146 PolarHBondContact O-N 3.15Å; E142-L146 VanDerWaalsContact O-N 3.09Å
143A77.7Confident76Confident58 Ų58104.2 Ų104.248%0.47953%0.525SS..Hα-helixtrans-64.6-39.817500000112.6S139 D140 M141 L147S139-A143 WeakPolarHBondContact O-CB 3.43Å; S139-A143 PolarHBondContact O-N 2.96Å; D140-A143 PolarHBondContact O-N 3.27Å; M141-A143 VanDerWaalsContact C-N 3.34Å; A143-L147 PolarHBondContact O-N 2.92Å; A143-L147 VanDerWaalsContact O-N 3.08Å
144M73.7Confident74.7Confident123 Ų123101.9 Ų101.961%0.60652%0.522SS*.Hα-helixtrans-66.3-37.5175.3-73.5-173.271.200112.5D140 M141 L147 Q148D140-M144 WeakPolarHBondContact O-CG 3.44Å; D140-M144 PolarHBondContact O-N 3.42Å; M141-M144 PolarHBondContact O-N 2.98Å; M141-M144 HydrophobicContact SD-SD 4.34Å; M144-L147 PolarHBondContact O-N 3.49Å; M144-Q148 WeakPolarHBondContact O-CB 3.48Å; M144-Q148 PolarHBondContact O-N 3.2Å
145Q76.5Confident72.9Confident111 Ų111101.7 Ų101.752%0.51952%0.52SS..Hα-helixtrans-67.7-41.2179.1-168.2165.66.500111.7M141 E142 L147 Q148 E149M141-Q145 PolarHBondContact O-N 3.37Å; E142-Q145 PolarHBondContact O-N 3.02Å; Q145-L147 VanDerWaalsContact C-N 3.35Å; Q145-L147 PolarHBondContact O-N 3.47Å; Q145-Q148 PolarHBondContact O-N 3.48Å; Q145-E149 PolarHBondContact O-N 2.78Å
146L79.4Confident70.7Confident106 Ų106110 Ų11056%0.55556%0.558SS**Hα-helixtrans-63.1-39.8173.2-74.3168.6000112.1E142 Q148 E149 Q150E142-L146 WeakPolarHBondContact O-CG 3.42Å; E142-L146 PolarHBondContact O-N 3.15Å; E142-L146 VanDerWaalsContact O-N 3.09Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.03Å; L146-E149 PolarHBondContact O-N 3.41Å; L146-Q150 WeakPolarHBondContact O-CG 3.44Å; L146-Q150 PolarHBondContact O-N 3.04Å
147L77.1Confident68.7Low102 Ų102110.5 Ų110.553%0.53456%0.561SS.*Hα-helixtrans-64.7-39.3175.4-156.584.7000111.2A143 M144 Q145 Q150 L151A143-L147 PolarHBondContact O-N 2.92Å; A143-L147 VanDerWaalsContact O-N 3.08Å; M144-L147 PolarHBondContact O-N 3.49Å; Q145-L147 VanDerWaalsContact C-N 3.35Å; Q145-L147 PolarHBondContact O-N 3.47Å; L147-Q150 PolarHBondContact O-N 3.34Å; L147-L151 HydrophobicContact CG-CD1 4.46Å; L147-L151 WeakPolarHBondContact O-CB 3.43Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.38Å; L147-L151 PolarHBondContact O-N 3.06Å
148Q74.1Confident66.6Low102 Ų102111.2 Ų111.248%0.47758%0.579SS.*Hα-helixtrans-66.7-37.1177.3-169.117012.800112.2M144 Q145 L146 L151 R152M144-Q148 WeakPolarHBondContact O-CB 3.48Å; M144-Q148 PolarHBondContact O-N 3.2Å; Q145-Q148 PolarHBondContact O-N 3.48Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.03Å; Q148-L151 PolarHBondContact O-N 2.65Å; Q148-R152 WeakPolarHBondContact O-CB 3.33Å; Q148-R152 VanDerWaalsContact O-CG 3.3Å; Q148-R152 WeakPolarHBondContact O-CG 3.46Å; Q148-R152 PolarHBondContact O-N 3.04Å
149E76.1Confident64.5Low112 Ų112115.5 Ų115.552%0.52360%0.601SS.*Hα-helixtrans-66.8-41.4172.2-82178.3168.300112.3Q145 L146 L151 R152 A153Q145-E149 PolarHBondContact O-N 2.78Å; L146-E149 PolarHBondContact O-N 3.41Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.47Å; E149-R152 PolarHBondContact O-N 2.64Å; E149-A153 WeakPolarHBondContact O-CB 3.23Å; E149-A153 PolarHBondContact O-N 3.33Å
150Q71.2Confident62.5Low129 Ų129120.7 Ų120.760%0.60362%0.617SS**Hα-helixtrans-64-34174.9-74-178.3-5.800112.9L146 L147L146-Q150 WeakPolarHBondContact O-CG 3.44Å; L146-Q150 PolarHBondContact O-N 3.04Å; L147-Q150 PolarHBondContact O-N 3.34Å
151L64.9Low60.2Low111 Ų111122 Ų12258%0.58163%0.629SS**Hα-helixtrans-73.9-38.4174.8-71.1166.9000111.7L147 Q148 E149 K154 T155L147-L151 HydrophobicContact CG-CD1 4.46Å; L147-L151 WeakPolarHBondContact O-CB 3.43Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.38Å; L147-L151 PolarHBondContact O-N 3.06Å; Q148-L151 PolarHBondContact O-N 2.65Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.47Å; L151-K154 PolarHBondContact O-N 3.08Å; L151-T155 PolarHBondContact O-OG1 3.26Å
152R63Low58.5Low170 Ų170125.3 Ų125.364%0.64265%0.653SS**Hα-helixtrans-66.4-35173.9-77.3176174.7-179.5-0.6112.5Q148 E149 K154 T155Q148-R152 WeakPolarHBondContact O-CB 3.33Å; Q148-R152 VanDerWaalsContact O-CG 3.3Å; Q148-R152 WeakPolarHBondContact O-CG 3.46Å; Q148-R152 PolarHBondContact O-N 3.04Å; E149-R152 PolarHBondContact O-N 2.64Å; R152-K154 VanDerWaalsContact C-N 3.26Å; R152-K154 PolarHBondContact O-N 3.49Å; R152-T155 PolarHBondContact O-N 2.78Å; R152-T155 PolarHBondContact O-OG1 3.33Å
153A57.1Low56.5Low78 Ų78129.9 Ų129.965%0.64567%0.671SS**THydrogen-bonded Turntrans-73.5-11.417700000114.3E149E149-A153 WeakPolarHBondContact O-CB 3.23Å; E149-A153 PolarHBondContact O-N 3.33Å
154K56.6Low54.2Low187 Ų187134.1 Ų134.181%0.81369%0.686SS**THydrogen-bonded Turntrans-100-0.2175.3-80.9-178.5177177.50114.1L151 R152L151-K154 PolarHBondContact O-N 3.08Å; R152-K154 VanDerWaalsContact C-N 3.26Å; R152-K154 PolarHBondContact O-N 3.49Å
155T42.3Very low52.7Low98 Ų98135.9 Ų135.960%0.60170%0.697SS**  trans-123.182.5171.252.90000107.2L151 R152 P157L151-T155 PolarHBondContact O-OG1 3.26Å; R152-T155 PolarHBondContact O-N 2.78Å; R152-T155 PolarHBondContact O-OG1 3.33Å; T155-P157 VanDerWaalsContact O-CD 3.23Å; T155-P157 WeakPolarHBondContact O-CD 3.43Å
156E38.6Very low50.7Low187 Ų187139.2 Ų139.287%0.87471%0.713SS**  trans-76116.5162.8-72.5-159157.800108.3
157P43Very low48.7Very low103 Ų103139.4 Ų139.467%0.66972%0.715SS**  trans-94.3133.6164.728.7-12.1000108.8T155 E159T155-P157 VanDerWaalsContact O-CD 3.23Å; T155-P157 WeakPolarHBondContact O-CD 3.43Å; P157-E159 PolarHBondContact O-N 3.3Å
158T35.8Very low46.8Very low146 Ų146142.2 Ų142.290%0.89673%0.73SS**  trans-57.7106.1163.236.80000109.6E160T158-E160 PolarHBondContact O-N 3.36Å
159E37.2Very low45.4Very low177 Ų177147.3 Ų147.383%0.82775%0.745SS**  trans-77.8108.4167.6-71-175.7156.600109.3P157P157-E159 PolarHBondContact O-N 3.3Å
160E36.4Very low43.7Very low182 Ų182147.5 Ų147.585%0.8576%0.758SS**  trans-104.6100.8155.1-76.7-169.5171.300109T158 T162T158-E160 PolarHBondContact O-N 3.36Å; E160-T162 PolarHBondContact O-N 3.36Å
161T31Very low42.9Very low123 Ų123145.5 Ų145.576%0.75577%0.773SS**  trans-46.8118161.538.90000111.6
162T37.3Very low42.9Very low141 Ų141151.2 Ų151.287%0.86579%0.787SS**  trans-119119.2151.846.50000109.6E160E160-T162 PolarHBondContact O-N 3.36Å
163K36.5Very low43.3Very low181 Ų181151.7 Ų151.779%0.78779%0.79SS**  trans-70.4150.9-174.2-69.4167.3173.4172.40111.2
164D31.1Very low43.7Very low147 Ų147152.6 Ų152.679%0.78678%0.783SS**  trans-21.7123.3160.6-58.5-77.4000115.6
165L41.4Very low43.6Very low161 Ų161146.4 Ų146.484%0.84376%0.762SS**  trans-125.285.4154.9-82.4163.6000108.5N167L165-N167 PolarHBondContact O-N 3.38Å
166Q35.5Very low44.7Very low180 Ų180146.6 Ų146.684%0.84177%0.765SS**  trans-57.3115.7151.2-69.5170.5-24.300107.3
167N37.3Very low45.8Very low111 Ų111142.9 Ų142.959%0.59476%0.759SS**  trans-129.389.4172-152.1-1.9000109L165 R169L165-N167 PolarHBondContact O-N 3.38Å; N167-R169 PolarHBondContact O-N 2.87Å
168D35.6Very low46.9Very low161 Ų161144.3 Ų144.386%0.86176%0.761SS**  trans-5097.4156-78.9-57.2000110
169R45.9Very low48.3Very low208 Ų208145.3 Ų145.379%0.78575%0.748SS**  trans-133.887.5166.7-72.1-168171.7-169-4.8111.3N167 G171N167-R169 PolarHBondContact O-N 2.87Å; R169-G171 PolarHBondContact O-N 3.25Å
170S41Very low49Very low116 Ų116139.7 Ų139.781%0.81174%0.737SS**  trans-16.8116.1150.947.70000116R172S170-R172 PolarHBondContact O-N 2.89Å
171G54.3Low49.7Very low88 Ų88139.3 Ų139.391%0.90774%0.741SS**  58.829.8128.500000120.3R169R169-G171 PolarHBondContact O-N 3.25Å
172R63.5Low50.6Low230 Ų230137.8 Ų137.887%0.86874%0.741SS**PPolyproline II helixtrans-101.9125.7171.8-142.690-164.8-156.58.7111.2S170 I174S170-R172 PolarHBondContact O-N 2.89Å; R172-I174 PolarHBondContact O-N 3.49Å
173Y71.5Confident51.1Low181 Ų181134.6 Ų134.671%0.7173%0.729SS**PPolyproline II helixtrans-55.7125.4176.1175-100.3000111.7P175Y173-P175 HydrophobicContact CE1-CB 4.35Å
174I65.7Low51.5Low97 Ų97133.1 Ų133.150%0.49773%0.73SS.*PPolyproline II helixtrans-95120.3173.2-59.4171.7000107.8R172 L178 R179R172-I174 PolarHBondContact O-N 3.49Å; I174-L178 HydrophobicContact CG2-CB 4.15Å; I174-R179 HydrophobicContact CG2-CG 4.44Å
175P55.3Low52.3Low57 Ų57132.7 Ų132.737%0.3773%0.733SS.*PPolyproline II helixtrans-64.5150.2-178.925.2-32.9000112.3Y173 S177 L178Y173-P175 HydrophobicContact CE1-CB 4.35Å; P175-S177 PolarHBondContact O-N 3.4Å; P175-L178 HydrophobicContact CG-CD1 4.31Å; P175-L178 PolarHBondContact O-N 2.96Å
176P64.8Low52.3Low102 Ų102130.8 Ų130.866%0.66273%0.728SS**G310 helixtrans-58.2-24.3-168.2-27.836.3000116L178P176-L178 VanDerWaalsContact C-N 3.29Å; P176-L178 PolarHBondContact O-N 3.41Å
177S62.4Low52.6Low109 Ų109126 Ų12676%0.76273%0.728SS**G310 helixtrans-74.5-14.9179.759.10000114.6P175P175-S177 PolarHBondContact O-N 3.4Å
178L64.9Low52.7Low133 Ų133126.2 Ų126.270%0.69674%0.738SS**G310 helixtrans-114.56.3-175.6-74.2166.9000113.2I174 P175 P176 G180I174-L178 HydrophobicContact CG2-CB 4.15Å; P175-L178 HydrophobicContact CG-CD1 4.31Å; P175-L178 PolarHBondContact O-N 2.96Å; P176-L178 VanDerWaalsContact C-N 3.29Å; P176-L178 PolarHBondContact O-N 3.41Å; L178-G180 PolarHBondContact O-N 3.43Å; L178-G180 VanDerWaalsContact O-N 3.16Å
179R65.8Low52.6Low166 Ų166123.2 Ų123.263%0.62673%0.729SS**SBendtrans-77.597.9166.4-88-176.3178.2-175.9-1.5108.1I174 D181I174-R179 HydrophobicContact CG2-CG 4.44Å; R179-D181 PolarHBondContact O-N 2.81Å
180G52.3Low52.4Low59 Ų59121.1 Ų121.161%0.60873%0.73SS**  trans-49.1115.9169.400000110.5L178 A182L178-G180 PolarHBondContact O-N 3.43Å; L178-G180 VanDerWaalsContact O-N 3.16Å; G180-A182 WeakPolarHBondContact O-CB 3.24Å; G180-A182 PolarHBondContact O-N 3.32Å
181D49.6Very low52.5Low174 Ų174119.5 Ų119.593%0.9372%0.719SS**SBendtrans42.215153.9-54-42.3000120.7R179R179-D181 PolarHBondContact O-N 2.81Å
182A51Low52.3Low91 Ų91121.7 Ų121.775%0.75272%0.715SS**  trans-107.88.7-174.500000114.5G180G180-A182 WeakPolarHBondContact O-CB 3.24Å; G180-A182 PolarHBondContact O-N 3.32Å
183A47Very low51.7Low75 Ų75117.4 Ų117.462%0.6271%0.709SS**SBendtrans-128.717.8-169.900000115.6
184N46.4Very low50.8Low149 Ų149117.9 Ų117.980%0.79772%0.715SS**  trans-12054-176.9-153.921.2000113.8
185T47.3Very low50.5Low138 Ų138120.9 Ų120.985%0.84772%0.72SS**  trans-12753.9172.722.50000111.7
186T41.6Very low50.8Low121 Ų121123.4 Ų123.474%0.74274%0.736SS**SBendtrans-129.598163.9490000109.4
187G41.5Very low50.8Low81 Ų81120.8 Ų120.884%0.83572%0.715SS**SBendtrans59.464147.600000116.9
188S38.6Very low51.2Low115 Ų115119.1 Ų119.180%0.80470%0.697SS**  trans-144.9133.8158.1-65.60000110
189S33.7Very low51.9Low98 Ų98121.1 Ų121.169%0.68570%0.703SS**  trans-27.3157.5173.559.90000116.8
190M42.5Very low53Low163 Ų163114.3 Ų114.380%0.80368%0.679SS**  trans142.1106.5142.3-68.4-96.6176.600108.4
191S41.9Very low54.9Low82 Ų82112.2 Ų112.257%0.57366%0.655SS**  78.5110.3115.5-75.70000113.1D193S191-D193 PolarHBondContact O-N 2.83Å
192T51.3Low56.9Low134 Ų134104 Ų10482%0.82261%0.61SS**  11.832.4129.816.30000120.8K194T192-K194 PolarHBondContact O-N 3.28Å; T192-K194 VanDerWaalsContact O-N 3.11Å
193D50.4Low59Low141 Ų141104.4 Ų104.475%0.75459%0.593SS**  trans-75.4104.3165.1-76.8-48.5000107.2S191 R195S191-D193 PolarHBondContact O-N 2.83Å; D193-R195 PolarHBondContact O-N 2.97Å; D193-R195 VanDerWaalsContact O-N 3.1Å
194K53.5Low61.2Low191 Ų191100.9 Ų100.983%0.8356%0.563SS**  trans-27.2114.1175.6-63-177.5176.8-166.80109.9T192 P196T192-K194 PolarHBondContact O-N 3.28Å; T192-K194 VanDerWaalsContact O-N 3.11Å; K194-P196 WeakPolarHBondContact O-CD 3.43Å; K194-P196 VanDerWaalsContact O-N 3.08Å
195R59.2Low63.4Low160 Ų16095.4 Ų95.460%0.60454%0.535SS*.  trans-60.9123.8176-65.8176.9172.2-152.1-2.7104.8D193 F197 D198D193-R195 PolarHBondContact O-N 2.97Å; D193-R195 VanDerWaalsContact O-N 3.1Å; R195-F197 PolarHBondContact O-N 3.07Å; R195-D198 PolarHBondContact N-OD2 3.26Å; R195-D198 PolarHBondContact O-N 2.83Å
196P60.5Low65.6Low109 Ų10993.1 Ų93.171%0.70852%0.518SS*.THydrogen-bonded Turntrans-64.16.5-168.820.8-31.7000114.5K194K194-P196 WeakPolarHBondContact O-CD 3.43Å; K194-P196 VanDerWaalsContact O-N 3.08Å
197F64.9Low68Low48 Ų4888 Ų8821%0.21149%0.486CS..THydrogen-bonded Turntrans-124.86.3-178.7-50.7-67.9000112.8R195 E199 N200 T201 M227R195-F197 PolarHBondContact O-N 3.07Å; F197-E199 PolarHBondContact O-N 3.41Å; F197-N200 CarbonylContact O-C 3.58Å; F197-N200 PolarHBondContact O-N 2.94Å; F197-T201 VanDerWaalsContact O-CG2 3.26Å; F197-T201 WeakPolarHBondContact O-CG2 3.32Å; F197-T201 PolarHBondContact O-N 2.99Å; F197-M227 HydrophobicContact CE1-CE 4.14Å; F197-M227 HydrophobicContact CE2-CE 4.29Å; F197-M227 HydrophobicContact CZ-CE 3.77Å
198D70.9Confident70.2Confident73 Ų7384.3 Ų84.339%0.3945%0.447SS..G310 helixtrans-60.3-33.4-179.1-77.7-19.4000111.7R195 N200 T201R195-D198 PolarHBondContact N-OD2 3.26Å; R195-D198 PolarHBondContact O-N 2.83Å; D198-N200 VanDerWaalsContact C-N 3.25Å; D198-N200 PolarHBondContact O-N 3.36Å; D198-T201 PolarHBondContact O-N 3.41Å; D198-T201 PolarHBondContact O-OG1 3.3Å
199E79.2Confident72.5Confident175 Ų17581.7 Ų81.782%0.81843%0.428SS*.G310 helixtrans-67.2-25.4175.1-64.2179.3-176.900113.2F197F197-E199 PolarHBondContact O-N 3.41Å
200N89.7Confident75Confident24 Ų2482.8 Ų82.813%0.12843%0.426CS..G310 helixtrans-10321.3-178-56.2-12.1000111.6F197 D198 F248 R249 A251F197-N200 CarbonylContact O-C 3.58Å; F197-N200 PolarHBondContact O-N 2.94Å; D198-N200 VanDerWaalsContact C-N 3.25Å; D198-N200 PolarHBondContact O-N 3.36Å; N200-F248 WeakPolarHBondContact CB-O 3.35Å; N200-F248 PolarHBondContact O-N 2.9Å; N200-R249 PolarHBondContact ND2-O 2.78Å; N200-A251 WeakPolarHBondContact OD1-CB 3.33Å; N200-A251 PolarHBondContact OD1-N 3.13Å
201T91.2Very high77.2Confident15 Ų1575.2 Ų75.29%0.09239%0.388CS..EExtended strand (participates in β ladder)trans-94132.4-179.253.80000112.5F197 D198 I246 S247 A276F197-T201 VanDerWaalsContact O-CG2 3.26Å; F197-T201 WeakPolarHBondContact O-CG2 3.32Å; F197-T201 PolarHBondContact O-N 2.99Å; D198-T201 PolarHBondContact O-N 3.41Å; D198-T201 PolarHBondContact O-OG1 3.3Å; T201-I246 WeakPolarHBondContact CA-O 3.28Å; T201-S247 WeakPolarHBondContact CG2-OG 3.39Å; T201-A276 VanDerWaalsContact O-CB 3.3Å; T201-A276 WeakPolarHBondContact O-CB 3.47Å; T201-A276 PolarHBondContact O-N 2.99Å; T201-A276 VanDerWaalsContact OG1-CB 3.25Å; T201-A276 WeakPolarHBondContact OG1-CB 3.45Å
202V93.4Very high79.5Confident0 Ų074.1 Ų74.10%038%0.379CS..EExtended strand (participates in β ladder)trans-110.9133.5178.6179.20000108.5F245 I246 F248 A254 I258 V273 D274V202-F245 WeakPolarHBondContact O-CA 3.31Å; V202-I246 PolarHBondContact N-O 2.85Å; V202-I246 PolarHBondContact O-N 3.47Å; V202-F248 HydrophobicContact CB-CE2 4.2Å; V202-F248 HydrophobicContact CG2-CD2 3.86Å; V202-F248 HydrophobicContact CG2-CE2 3.78Å; V202-A254 HydrophobicContact CG2-CB 3.65Å; V202-I258 HydrophobicContact CG1-CG1 3.91Å; V202-I258 HydrophobicContact CG2-CD1 4.12Å; V202-I258 HydrophobicContact CG2-CG1 4.12Å; V202-V273 HydrophobicContact CG1-CG1 3.12Å; V202-D274 WeakPolarHBondContact CG1-O 3.37Å
203R93.8Very high81.3Confident101 Ų10169.4 Ų69.438%0.38135%0.353SS..EExtended strand (participates in β ladder)trans-99.2119.6173.7-178.5-179.5171.4168-1.5109.3T205 F245 D274 A276R203-T205 HydrophobicContact CG-CG2 4.13Å; R203-F245 HydrophobicContact CB-CD1 4.16Å; R203-F245 HydrophobicContact CB-CE1 4.02Å; R203-F245 HydrophobicContact CG-CD1 4.36Å; R203-F245 HydrophobicContact CG-CE1 3.94Å; R203-F245 HydrophobicContact CG-CZ 4.44Å; R203-D274 PolarHBondContact N-O 3.48Å; R203-D274 PolarHBondContact O-N 3.12Å; R203-A276 HydrophobicContact CB-CB 4.26Å
204V93.8Very high83.3Confident0 Ų068.6 Ų68.60%035%0.349CS..EExtended strand (participates in β ladder)trans-99131.4173.2-172.20000108.2L207 F220 F243 A244 I246 V273V204-L207 HydrophobicContact CB-CD1 3.9Å; V204-L207 HydrophobicContact CG1-CD1 3.68Å; V204-L207 HydrophobicContact CG1-CD2 4.23Å; V204-L207 HydrophobicContact CG1-CG 3.97Å; V204-F220 HydrophobicContact CB-CZ 4.49Å; V204-F220 HydrophobicContact CG1-CZ 4.34Å; V204-F220 HydrophobicContact CG2-CE1 4.21Å; V204-F220 HydrophobicContact CG2-CE2 3.74Å; V204-F220 HydrophobicContact CG2-CZ 3.33Å; V204-F243 CarbonylContact O-C 3.59Å; V204-F243 WeakPolarHBondContact O-CA 3.25Å; V204-F243 WeakPolarHBondContact O-CB 3.5Å; V204-A244 PolarHBondContact N-O 3.42Å; V204-A244 PolarHBondContact O-N 2.78Å; V204-I246 HydrophobicContact CG2-CD1 3.78Å; V204-I246 HydrophobicContact CG2-CG1 4.34Å; V204-V273 HydrophobicContact CG1-CG2 4.35Å; V204-V273 HydrophobicContact CG2-CG1 4.47Å; V204-V273 HydrophobicContact CG2-CG2 4.46Å
205T93.2Very high85.1Confident35 Ų3562.5 Ų62.522%0.21532%0.323CS..EExtended strand (participates in β ladder)trans-125.5159.9179.555.20000110.1R203 G242 F243 K272R203-T205 HydrophobicContact CG-CG2 4.13Å; T205-G242 CarbonylContact C-O 3.58Å; T205-F243 HydrophobicContact CG2-CB 4.42Å; T205-K272 PolarHBondContact N-O 3.03Å; T205-K272 PolarHBondContact O-N 3.39Å; T205-K272 VanDerWaalsContact O-N 3.11Å; T205-K272 WeakPolarHBondContact OG1-CB 3.34Å; T205-K272 PolarHBondContact OG1-O 3.4Å
206N92.6Very high86.7Confident90 Ų9055 Ų5548%0.48130%0.295SS..SBendtrans67.643.5-177.8-154.226.5000112.7G242 V269 V270N206-G242 PolarHBondContact N-O 2.72Å; N206-V269 HydrophobicContact CB-CG1 4.12Å; N206-V269 WeakPolarHBondContact ND2-CG1 3.4Å; N206-V269 WeakPolarHBondContact O-CG1 3.41Å; N206-V269 WeakPolarHBondContact OD1-CG1 3.5Å; N206-V270 PolarHBondContact ND2-O 3.48Å
207L91.4Very high88.2Confident12 Ų1255.4 Ų55.46%0.06329%0.286CS..  trans-84.3138.7175-76.3134.5000111.2V204 T211 L216 G242 A244 L271V204-L207 HydrophobicContact CB-CD1 3.9Å; V204-L207 HydrophobicContact CG1-CD1 3.68Å; V204-L207 HydrophobicContact CG1-CD2 4.23Å; V204-L207 HydrophobicContact CG1-CG 3.97Å; L207-T211 HydrophobicContact CD2-CG2 3.79Å; L207-L216 HydrophobicContact CD2-CD1 4.29Å; L207-L216 HydrophobicContact CD2-CD2 3.36Å; L207-L216 HydrophobicContact CD2-CG 4.25Å; L207-G242 PolarHBondContact N-O 2.65Å; L207-G242 VanDerWaalsContact N-O 3.14Å; L207-G242 WeakPolarHBondContact O-CA 3.32Å; L207-A244 HydrophobicContact CD1-CB 3.73Å; L207-L271 HydrophobicContact CD2-CD2 4.29Å; L207-L271 HydrophobicContact CG-CD2 4.29Å
208P89.1Confident89.5Confident4 Ų457.5 Ų57.53%0.02631%0.307CS..  trans-54.6149.8167.6-17.423.9000112D210 T211 N267 V269P208-D210 PolarHBondContact O-N 3.07Å; P208-T211 VanDerWaalsContact CD-OG1 3.28Å; P208-T211 WeakPolarHBondContact CD-OG1 3.41Å; P208-T211 WeakPolarHBondContact CG-OG1 3.46Å; P208-T211 PolarHBondContact O-N 3.16Å; P208-N267 HydrophobicContact CG-CB 3.98Å; P208-V269 HydrophobicContact CG-CG2 4.45Å
209P86.1Confident90.4Very high61 Ų6155.5 Ų55.540%0.39630%0.297SS..THydrogen-bonded Turntrans-61.9-28.6176.425.9-33.6000112.4N240P209-N240 PolarHBondContact O-N 3.2Å
210D87.1Confident91.1Very high121 Ų12147.2 Ų47.265%0.64726%0.258SS*.THydrogen-bonded Turntrans-84.9-7.9-175.4-57.7-31.9000114.1P208 T212P208-D210 PolarHBondContact O-N 3.07Å; D210-T212 PolarHBondContact O-N 2.82Å
211T88.3Confident91.2Very high3 Ų349.6 Ų49.62%0.01828%0.277CS..  trans-65.5125.8-172.9-660000112.5L207 P208 E215 L216 N240L207-T211 HydrophobicContact CD2-CG2 3.79Å; P208-T211 VanDerWaalsContact CD-OG1 3.28Å; P208-T211 WeakPolarHBondContact CD-OG1 3.41Å; P208-T211 WeakPolarHBondContact CG-OG1 3.46Å; P208-T211 PolarHBondContact O-N 3.16Å; T211-E215 WeakPolarHBondContact CA-OE2 3.43Å; T211-E215 HydrophobicContact CG2-CB 4.24Å; T211-L216 HydrophobicContact CG2-CD1 4.39Å; T211-L216 HydrophobicContact CG2-CD2 4.06Å; T211-L216 HydrophobicContact CG2-CG 3.86Å; T211-N240 PolarHBondContact O-ND2 3.24Å
212T89.3Confident91.2Very high60 Ų6053 Ų5337%0.36831%0.306SS..  trans-87.7162.2177.861.10000112.7D210 D214 E215 L216D210-T212 PolarHBondContact O-N 2.82Å; T212-D214 PolarHBondContact O-N 2.88Å; T212-E215 PolarHBondContact N-OE1 3.01Å; T212-E215 PolarHBondContact N-OE2 2.99Å; T212-E215 PolarHBondContact O-N 3.24Å; T212-E215 VanDerWaalsContact OG1-CD 3.31Å; T212-E215 WeakPolarHBondContact OG1-CG 3.47Å; T212-E215 PolarHBondContact OG1-N 2.87Å; T212-E215 PolarHBondContact OG1-OE1 3.49Å; T212-L216 PolarHBondContact O-N 3.2Å
213A90.5Very high91.1Very high34 Ų3456.2 Ų56.228%0.28132%0.32SS..Hα-helixtrans-63.2-30.417400000111.9L216 K217 I229 P231A213-L216 PolarHBondContact O-N 3.39Å; A213-K217 PolarHBondContact O-N 2.8Å; A213-I229 HydrophobicContact CB-CG2 4.42Å; A213-P231 HydrophobicContact CB-CG 4.37Å
214D92Very high91Very high125 Ų12552.1 Ų52.167%0.66831%0.31SS*.Hα-helixtrans-71.5-38178.8-67.2-35.1000112T212 K217 S218T212-D214 PolarHBondContact O-N 2.88Å; D214-K217 WeakPolarHBondContact O-CB 3.5Å; D214-K217 PolarHBondContact O-N 3.07Å; D214-S218 PolarHBondContact O-N 3.43Å
215E91.2Very high90.9Very high62 Ų6257.3 Ų57.329%0.2933%0.334SS..Hα-helixtrans-59.9-46.7170.9-78.3159.2-125.300111.5T211 T212 K217 S218 V219 H266T211-E215 WeakPolarHBondContact CA-OE2 3.43Å; T211-E215 HydrophobicContact CG2-CB 4.24Å; T212-E215 PolarHBondContact N-OE1 3.01Å; T212-E215 PolarHBondContact N-OE2 2.99Å; T212-E215 PolarHBondContact O-N 3.24Å; T212-E215 VanDerWaalsContact OG1-CD 3.31Å; T212-E215 WeakPolarHBondContact OG1-CG 3.47Å; T212-E215 PolarHBondContact OG1-N 2.87Å; T212-E215 PolarHBondContact OG1-OE1 3.49Å; E215-K217 VanDerWaalsContact C-N 3.28Å; E215-K217 PolarHBondContact O-N 3.42Å; E215-S218 WeakPolarHBondContact O-CB 3.42Å; E215-S218 PolarHBondContact O-N 3.44Å; E215-S218 VanDerWaalsContact O-N 3.15Å; E215-V219 WeakPolarHBondContact O-CG2 3.49Å; E215-V219 PolarHBondContact O-N 2.85Å; E215-H266 IonicContact OE2-NE2 3.87Å
216L91.7Very high90.8Very high4 Ų456.6 Ų56.62%0.02133%0.329CS..Hα-helixtrans-60.3-42175.7-68.8171.6000111.1L207 T211 T212 A213 S218 V219 F220 I229 A244 I246L207-L216 HydrophobicContact CD2-CD1 4.29Å; L207-L216 HydrophobicContact CD2-CD2 3.36Å; L207-L216 HydrophobicContact CD2-CG 4.25Å; T211-L216 HydrophobicContact CG2-CD1 4.39Å; T211-L216 HydrophobicContact CG2-CD2 4.06Å; T211-L216 HydrophobicContact CG2-CG 3.86Å; T212-L216 PolarHBondContact O-N 3.2Å; A213-L216 PolarHBondContact O-N 3.39Å; L216-S218 VanDerWaalsContact C-N 3.31Å; L216-S218 PolarHBondContact O-N 2.92Å; L216-V219 PolarHBondContact O-N 3.02Å; L216-F220 HydrophobicContact CB-CD2 4.49Å; L216-F220 HydrophobicContact CD2-CD2 4.41Å; L216-F220 HydrophobicContact CD2-CE2 4.02Å; L216-F220 WeakPolarHBondContact O-CB 3.12Å; L216-F220 VanDerWaalsContact O-CD2 3.25Å; L216-F220 WeakPolarHBondContact O-CD2 3.49Å; L216-F220 PolarHBondContact O-N 3.44Å; L216-I229 HydrophobicContact CB-CG2 4.26Å; L216-I229 HydrophobicContact CD1-CG2 4.14Å; L216-A244 HydrophobicContact CD1-CB 3.78Å; L216-I246 HydrophobicContact CB-CD1 4.49Å
217K93.1Very high90.8Very high116 Ų11655.9 Ų55.950%0.50432%0.324SS..Hα-helixtrans-59-44.9176-165.5176.4179.1-1780111.3A213 D214 E215 S221 I229A213-K217 PolarHBondContact O-N 2.8Å; D214-K217 WeakPolarHBondContact O-CB 3.5Å; D214-K217 PolarHBondContact O-N 3.07Å; E215-K217 VanDerWaalsContact C-N 3.28Å; E215-K217 PolarHBondContact O-N 3.42Å; K217-S221 WeakPolarHBondContact O-CA 3.3Å; K217-S221 WeakPolarHBondContact O-CB 3.27Å; K217-S221 PolarHBondContact O-N 2.81Å; K217-I229 HydrophobicContact CB-CD1 3.49Å; K217-I229 VanDerWaalsContact CB-CD1 3.49Å; K217-I229 HydrophobicContact CG-CD1 3.95Å
218S91.6Very high90.7Very high93 Ų9361.8 Ų61.865%0.6535%0.346SS*.Hα-helixtrans-60.8-48.4179.2-171.10000112.2D214 E215 L216D214-S218 PolarHBondContact O-N 3.43Å; E215-S218 WeakPolarHBondContact O-CB 3.42Å; E215-S218 PolarHBondContact O-N 3.44Å; E215-S218 VanDerWaalsContact O-N 3.15Å; L216-S218 VanDerWaalsContact C-N 3.31Å; L216-S218 PolarHBondContact O-N 2.92Å
219V90.7Very high90.9Very high31 Ų3163.7 Ų63.719%0.18836%0.355CS..Hα-helixtrans-65-45.4-179.4175.80000111.7E215 L216 V261 L264E215-V219 WeakPolarHBondContact O-CG2 3.49Å; E215-V219 PolarHBondContact O-N 2.85Å; L216-V219 PolarHBondContact O-N 3.02Å; V219-V261 HydrophobicContact CG1-CG1 4.37Å; V219-V261 HydrophobicContact CG1-CG2 4.43Å; V219-L264 HydrophobicContact CG1-CD2 4.27Å
220F92.7Very high91.1Very high0 Ų068.1 Ų68.10%037%0.365CS..Hα-helixtrans-83.1-19.7-175.5-74.6-77.3000113.8V204 L216 A222 F223 V226 I246 F248 A257 V261 V273V204-F220 HydrophobicContact CB-CZ 4.49Å; V204-F220 HydrophobicContact CG1-CZ 4.34Å; V204-F220 HydrophobicContact CG2-CE1 4.21Å; V204-F220 HydrophobicContact CG2-CE2 3.74Å; V204-F220 HydrophobicContact CG2-CZ 3.33Å; L216-F220 HydrophobicContact CB-CD2 4.49Å; L216-F220 HydrophobicContact CD2-CD2 4.41Å; L216-F220 HydrophobicContact CD2-CE2 4.02Å; L216-F220 WeakPolarHBondContact O-CB 3.12Å; L216-F220 VanDerWaalsContact O-CD2 3.25Å; L216-F220 WeakPolarHBondContact O-CD2 3.49Å; L216-F220 PolarHBondContact O-N 3.44Å; F220-A222 PolarHBondContact O-N 2.97Å; F220-F223 PolarHBondContact O-N 2.82Å; F220-F223 VanDerWaalsContact O-N 3.15Å; F220-V226 HydrophobicContact CB-CG2 3.89Å; F220-I246 HydrophobicContact CB-CD1 4.41Å; F220-I246 HydrophobicContact CD1-CD1 4.19Å; F220-I246 HydrophobicContact CD2-CD1 3.12Å; F220-I246 HydrophobicContact CE1-CD1 4.26Å; F220-I246 HydrophobicContact CE2-CD1 3.25Å; F220-I246 HydrophobicContact CG-CD1 3.64Å; F220-I246 HydrophobicContact CZ-CD1 3.83Å; F220-F248 HydrophobicContact CB-CE1 4.44Å; F220-F248 HydrophobicContact CB-CZ 3.99Å; F220-F248 HydrophobicContact CD1-CE2 4.42Å; F220-F248 AromaticContact CD1-CZ 3.78Å; F220-F248 HydrophobicContact CD1-CZ 3.78Å; F220-F248 HydrophobicContact CG-CZ 4.25Å; F220-A257 HydrophobicContact CD1-CB 4.03Å; F220-A257 HydrophobicContact CE1-CB 4.3Å; F220-V261 HydrophobicContact CD1-CG2 4.29Å; F220-V261 HydrophobicContact CE1-CB 4.16Å; F220-V261 HydrophobicContact CE1-CG1 4.15Å; F220-V261 HydrophobicContact CE1-CG2 3.91Å; F220-V261 HydrophobicContact CZ-CB 4.41Å; F220-V261 HydrophobicContact CZ-CG1 3.91Å; F220-V261 HydrophobicContact CZ-CG2 4.44Å; F220-V273 HydrophobicContact CE1-CG1 4.43Å; F220-V273 HydrophobicContact CZ-CG2 4.28Å
221S91.6Very high91.3Very high75 Ų7563.4 Ų63.452%0.52434%0.341SS..THydrogen-bonded Turntrans-65.6-17.5176.1-175.40000113.3K217 F223K217-S221 WeakPolarHBondContact O-CA 3.3Å; K217-S221 WeakPolarHBondContact O-CB 3.27Å; K217-S221 PolarHBondContact O-N 2.81Å; S221-F223 VanDerWaalsContact C-N 3.3Å
222A91.3Very high91.4Very high85 Ų8563.6 Ų63.670%0.70234%0.343SS*.THydrogen-bonded Turntrans-71-24.5174.900000113.1F220F220-A222 PolarHBondContact O-N 2.97Å
223F92Very high91.4Very high68 Ų6865.5 Ų65.530%0.29835%0.346SS..THydrogen-bonded Turntrans-100.8-18.8-175.3-59.3-81.2000113.6F220 S221 A257 V261F220-F223 PolarHBondContact O-N 2.82Å; F220-F223 VanDerWaalsContact O-N 3.15Å; S221-F223 VanDerWaalsContact C-N 3.3Å; F223-A257 HydrophobicContact CB-CB 3.8Å; F223-A257 HydrophobicContact CD2-CB 4.42Å; F223-A257 HydrophobicContact CG-CB 4.1Å; F223-V261 HydrophobicContact CD2-CG2 3.75Å; F223-V261 HydrophobicContact CE2-CG2 3.13Å; F223-V261 HydrophobicContact CZ-CG2 3.6Å
224G90.9Very high91.3Very high16 Ų1666.8 Ų66.817%0.16535%0.348CS..SBendtrans173.8-177.6-177.600000114.2V226G224-V226 PolarHBondContact O-N 2.89Å
225H91.6Very high90.9Very high109 Ų10971 Ų7151%0.50536%0.36SS..  trans-86.2108.9178.6-170.869.3000110.5M227 R249 E253H225-M227 PolarHBondContact O-N 3.36Å; H225-R249 HydrophobicContact CB-CB 4.34Å; H225-R249 PolarHBondContact O-N 2.78Å; H225-R249 VanDerWaalsContact O-N 3.16Å; H225-E253 PolarHBondContact N-OE2 3.26Å
226V92.7Very high90.7Very high19 Ų1975.8 Ų75.812%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-77.5115.1179.3-176.50000110.2F220 G224 I229 I246 F248F220-V226 HydrophobicContact CB-CG2 3.89Å; G224-V226 PolarHBondContact O-N 2.89Å; V226-I229 HydrophobicContact CG1-CD1 3.88Å; V226-I229 HydrophobicContact CG1-CG1 3.42Å; V226-I229 VanDerWaalsContact CG1-CG1 3.42Å; V226-I246 HydrophobicContact CG1-CG2 3.65Å; V226-I246 HydrophobicContact CG2-CG2 4.32Å; V226-F248 HydrophobicContact CG2-CD1 4.4Å; V226-F248 HydrophobicContact CG2-CE1 3.84Å; V226-F248 HydrophobicContact CG2-CZ 4.37Å
227M91.2Very high90.4Very high76 Ų7679.2 Ų79.237%0.37441%0.408SS..EExtended strand (participates in β ladder)trans-80.6-46.1-179.9-66.1-66.7-69.400111.7F197 H225 S247 R249F197-M227 HydrophobicContact CE1-CE 4.14Å; F197-M227 HydrophobicContact CE2-CE 4.29Å; F197-M227 HydrophobicContact CZ-CE 3.77Å; H225-M227 PolarHBondContact O-N 3.36Å; M227-S247 WeakPolarHBondContact CB-O 3.49Å; M227-S247 PolarHBondContact N-O 3.24Å; M227-R249 HydrophobicContact CG-CB 4.09Å; M227-R249 HydrophobicContact SD-CB 4.17Å; M227-R249 HydrophobicContact SD-CG 4.41Å
228R90.2Very high89.8Confident136 Ų13680.9 Ų80.951%0.51342%0.418SS..EExtended strand (participates in β ladder)trans-146.3140.6-177.3-67.2-176.2178.2158.7-1.2110.7I246 S247R228-I246 WeakPolarHBondContact O-CA 3.48Å; R228-S247 PolarHBondContact N-O 2.85Å; R228-S247 PolarHBondContact O-N 2.81Å
229I92.8Very high89.4Confident44 Ų4481.3 Ų81.323%0.22641%0.41CS..EExtended strand (participates in β ladder)trans-122.4124.4174.2-54.7174.9000107.2A213 L216 K217 V226 I246A213-I229 HydrophobicContact CB-CG2 4.42Å; L216-I229 HydrophobicContact CB-CG2 4.26Å; L216-I229 HydrophobicContact CD1-CG2 4.14Å; K217-I229 HydrophobicContact CB-CD1 3.49Å; K217-I229 VanDerWaalsContact CB-CD1 3.49Å; K217-I229 HydrophobicContact CG-CD1 3.95Å; V226-I229 HydrophobicContact CG1-CD1 3.88Å; V226-I229 HydrophobicContact CG1-CG1 3.42Å; V226-I229 VanDerWaalsContact CG1-CG1 3.42Å; I229-I246 HydrophobicContact CG2-CG1 4.49Å
230Y91.1Very high89.1Confident153 Ų15380.8 Ų80.860%0.641%0.406SS*.EExtended strand (participates in β ladder)trans-123.991176.6-173.8-97.8000109.4A244 F245Y230-A244 WeakPolarHBondContact O-CA 3.38Å; Y230-F245 HydrophobicContact CD1-CD2 4.18Å; Y230-F245 PolarHBondContact N-O 2.87Å; Y230-F245 PolarHBondContact O-N 3.09Å
231P90.8Very high88.9Confident23 Ų2388.6 Ų88.615%0.14944%0.435CS..EExtended strand (participates in β ladder)trans-73.3127.317130-30.4000109A213 K233A213-P231 HydrophobicContact CB-CG 4.37Å; P231-K233 PolarHBondContact O-N 3.41Å; P231-K233 VanDerWaalsContact O-N 3.08Å
232A89.9Confident88.9Confident6 Ų685.9 Ų85.95%0.0542%0.419CS..EExtended strand (participates in β ladder)trans-77.2100.9176.900000109.2R241 F243A232-R241 WeakPolarHBondContact O-CB 3.46Å; A232-R241 PolarHBondContact O-N 3.29Å; A232-F243 HydrophobicContact CB-CD1 4.23Å; A232-F243 HydrophobicContact CB-CD2 3.51Å; A232-F243 HydrophobicContact CB-CE1 3.9Å; A232-F243 HydrophobicContact CB-CE2 3.12Å; A232-F243 HydrophobicContact CB-CG 4.06Å; A232-F243 HydrophobicContact CB-CZ 3.34Å; A232-F243 WeakPolarHBondContact CB-O 3.48Å; A232-F243 PolarHBondContact N-O 2.8Å
233K89.8Confident88.9Confident100 Ų10084.1 Ų84.144%0.43540%0.396SS..EExtended strand (participates in β ladder)trans-93.9143.5177.8-63.4-175.6177.1-165.90111P231 Q239 N240P231-K233 PolarHBondContact O-N 3.41Å; P231-K233 VanDerWaalsContact O-N 3.08Å; K233-Q239 CarbonylContact C-O 3.55Å; K233-Q239 VanDerWaalsContact CA-O 3.31Å; K233-Q239 WeakPolarHBondContact CA-O 3.48Å; K233-N240 WeakPolarHBondContact CG-OD1 3.29Å
234D87.4Confident89Confident61 Ų6181 Ų8133%0.32638%0.382SS..  trans-70.8140.6168.9177.533.4000109.8L236 T237 Q238 Q239 R241D234-L236 VanDerWaalsContact C-N 3.31Å; D234-L236 PolarHBondContact O-N 3.28Å; D234-T237 WeakPolarHBondContact CB-OG1 3.47Å; D234-T237 PolarHBondContact OD2-N 3.04Å; D234-T237 PolarHBondContact OD2-OG1 3.2Å; D234-Q238 VanDerWaalsContact O-CA 3.25Å; D234-Q238 WeakPolarHBondContact O-CA 3.16Å; D234-Q238 PolarHBondContact O-N 3Å; D234-Q238 VanDerWaalsContact O-N 3.07Å; D234-Q239 PolarHBondContact N-O 2.62Å; D234-R241 HydrophobicContact CB-CG 4Å
235K85.5Confident89.1Confident213 Ų21383.2 Ų83.293%0.92639%0.387SS*.THydrogen-bonded Turntrans-72.7-27.2-173.2-65.7-173.3179.5-168.30112.4
236L85.9Confident89.2Confident163 Ų16378 Ų7885%0.85336%0.363SS*.THydrogen-bonded Turntrans-91.1-51.9-175.9-149.288.5000111.4D234D234-L236 VanDerWaalsContact C-N 3.31Å; D234-L236 PolarHBondContact O-N 3.28Å
237T84.5Confident89.2Confident76 Ų7677.9 Ų77.947%0.46636%0.363SS..THydrogen-bonded Turntrans-86.5-14.3-175.358.60000113.6D234 Q239D234-T237 WeakPolarHBondContact CB-OG1 3.47Å; D234-T237 PolarHBondContact OD2-N 3.04Å; D234-T237 PolarHBondContact OD2-OG1 3.2Å; T237-Q239 PolarHBondContact O-N 3.3Å
238Q81.2Confident89.3Confident151 Ų15174.3 Ų74.371%0.70635%0.345SS*.  trans58.86.1-173.6-146.1177.9-9.900114.6D234D234-Q238 VanDerWaalsContact O-CA 3.25Å; D234-Q238 WeakPolarHBondContact O-CA 3.16Å; D234-Q238 PolarHBondContact O-N 3Å; D234-Q238 VanDerWaalsContact O-N 3.07Å
239Q83.6Confident89.4Confident103 Ų10375.5 Ų75.548%0.48135%0.35SS..  trans-80.5158.2175.1-67.6-175.1-7.200111K233 D234 T237K233-Q239 CarbonylContact C-O 3.55Å; K233-Q239 VanDerWaalsContact CA-O 3.31Å; K233-Q239 WeakPolarHBondContact CA-O 3.48Å; D234-Q239 PolarHBondContact N-O 2.62Å; T237-Q239 PolarHBondContact O-N 3.3Å
240N84.7Confident89.3Confident19 Ų1975.9 Ų75.910%0.10235%0.354CS..EExtended strand (participates in β ladder)trans-71.2135.9176.5-65-16.6000111.3P209 T211 K233 G242P209-N240 PolarHBondContact O-N 3.2Å; T211-N240 PolarHBondContact O-ND2 3.24Å; K233-N240 WeakPolarHBondContact CG-OD1 3.29Å; N240-G242 PolarHBondContact O-N 2.66Å
241R88.7Confident89.3Confident165 Ų16570.8 Ų70.862%0.62334%0.344SS*.EExtended strand (participates in β ladder)trans-75.215.5173.6-61.7179.666.5-179.51.6113.3A232 D234 F243A232-R241 WeakPolarHBondContact O-CB 3.46Å; A232-R241 PolarHBondContact O-N 3.29Å; D234-R241 HydrophobicContact CB-CG 4Å; R241-F243 HydrophobicContact CB-CD1 4.04Å; R241-F243 HydrophobicContact CB-CE1 3.65Å; R241-F243 HydrophobicContact CB-CZ 4.48Å; R241-F243 WeakPolarHBondContact O-CD1 2.86Å; R241-F243 PolarHBondContact O-N 3.22Å
242G90.2Very high89.4Confident18 Ų1877 Ų7719%0.18637%0.372CS..EExtended strand (participates in β ladder)trans76.911.5-179.700000116.1T205 N206 L207 N240T205-G242 CarbonylContact C-O 3.58Å; N206-G242 PolarHBondContact N-O 2.72Å; L207-G242 PolarHBondContact N-O 2.65Å; L207-G242 VanDerWaalsContact N-O 3.14Å; L207-G242 WeakPolarHBondContact O-CA 3.32Å; N240-G242 PolarHBondContact O-N 2.66Å
243F92.2Very high89.6Confident48 Ų4878.9 Ų78.921%0.21138%0.379CS..EExtended strand (participates in β ladder)trans-141.1152.1172.865.5-84.8000113V204 T205 A232 R241 F245V204-F243 CarbonylContact O-C 3.59Å; V204-F243 WeakPolarHBondContact O-CA 3.25Å; V204-F243 WeakPolarHBondContact O-CB 3.5Å; T205-F243 HydrophobicContact CG2-CB 4.42Å; A232-F243 HydrophobicContact CB-CD1 4.23Å; A232-F243 HydrophobicContact CB-CD2 3.51Å; A232-F243 HydrophobicContact CB-CE1 3.9Å; A232-F243 HydrophobicContact CB-CE2 3.12Å; A232-F243 HydrophobicContact CB-CG 4.06Å; A232-F243 HydrophobicContact CB-CZ 3.34Å; A232-F243 WeakPolarHBondContact CB-O 3.48Å; A232-F243 PolarHBondContact N-O 2.8Å; R241-F243 HydrophobicContact CB-CD1 4.04Å; R241-F243 HydrophobicContact CB-CE1 3.65Å; R241-F243 HydrophobicContact CB-CZ 4.48Å; R241-F243 WeakPolarHBondContact O-CD1 2.86Å; R241-F243 PolarHBondContact O-N 3.22Å; F243-F245 AromaticContact CD2-CE2 3.91Å; F243-F245 HydrophobicContact CD2-CE2 3.91Å; F243-F245 HydrophobicContact CD2-CZ 4.48Å; F243-F245 AromaticContact CE2-CE2 3.89Å; F243-F245 HydrophobicContact CE2-CE2 3.89Å
244A93.4Very high89.7Confident1 Ų174.1 Ų74.11%0.00836%0.358CS..EExtended strand (participates in β ladder)trans-142.1152.7176.900000110.8V204 L207 L216 Y230V204-A244 PolarHBondContact N-O 3.42Å; V204-A244 PolarHBondContact O-N 2.78Å; L207-A244 HydrophobicContact CD1-CB 3.73Å; L216-A244 HydrophobicContact CD1-CB 3.78Å; Y230-A244 WeakPolarHBondContact O-CA 3.38Å
245F93.5Very high90Very high63 Ų6376.6 Ų76.628%0.27637%0.366SS..EExtended strand (participates in β ladder)trans-111.8132.5172.4-65.3-83.6000110.1V202 R203 Y230 F243 A276V202-F245 WeakPolarHBondContact O-CA 3.31Å; R203-F245 HydrophobicContact CB-CD1 4.16Å; R203-F245 HydrophobicContact CB-CE1 4.02Å; R203-F245 HydrophobicContact CG-CD1 4.36Å; R203-F245 HydrophobicContact CG-CE1 3.94Å; R203-F245 HydrophobicContact CG-CZ 4.44Å; Y230-F245 HydrophobicContact CD1-CD2 4.18Å; Y230-F245 PolarHBondContact N-O 2.87Å; Y230-F245 PolarHBondContact O-N 3.09Å; F243-F245 AromaticContact CD2-CE2 3.91Å; F243-F245 HydrophobicContact CD2-CE2 3.91Å; F243-F245 HydrophobicContact CD2-CZ 4.48Å; F243-F245 AromaticContact CE2-CE2 3.89Å; F243-F245 HydrophobicContact CE2-CE2 3.89Å; F245-A276 HydrophobicContact CD1-CB 3.95Å; F245-A276 HydrophobicContact CE1-CB 4.07Å
246I93.7Very high90.4Very high0 Ų069.4 Ų69.40%034%0.343CS..EExtended strand (participates in β ladder)trans-128120.5-176.4-56.1-178.5000108.1T201 V202 V204 L216 F220 V226 R228 I229 F248T201-I246 WeakPolarHBondContact CA-O 3.28Å; V202-I246 PolarHBondContact N-O 2.85Å; V202-I246 PolarHBondContact O-N 3.47Å; V204-I246 HydrophobicContact CG2-CD1 3.78Å; V204-I246 HydrophobicContact CG2-CG1 4.34Å; L216-I246 HydrophobicContact CB-CD1 4.49Å; F220-I246 HydrophobicContact CB-CD1 4.41Å; F220-I246 HydrophobicContact CD1-CD1 4.19Å; F220-I246 HydrophobicContact CD2-CD1 3.12Å; F220-I246 HydrophobicContact CE1-CD1 4.26Å; F220-I246 HydrophobicContact CE2-CD1 3.25Å; F220-I246 HydrophobicContact CG-CD1 3.64Å; F220-I246 HydrophobicContact CZ-CD1 3.83Å; V226-I246 HydrophobicContact CG1-CG2 3.65Å; V226-I246 HydrophobicContact CG2-CG2 4.32Å; R228-I246 WeakPolarHBondContact O-CA 3.48Å; I229-I246 HydrophobicContact CG2-CG1 4.49Å; I246-F248 HydrophobicContact CB-CE2 4.41Å; I246-F248 HydrophobicContact CG2-CD2 4.36Å; I246-F248 HydrophobicContact CG2-CE2 3.8Å; I246-F248 HydrophobicContact CG2-CZ 3.99Å
247S92.7Very high90.8Very high17 Ų1761.7 Ų61.712%0.11930%0.302CS..EExtended strand (participates in β ladder)trans-96.1124.1176-54.10000109.7T201 M227 R228T201-S247 WeakPolarHBondContact CG2-OG 3.39Å; M227-S247 WeakPolarHBondContact CB-O 3.49Å; M227-S247 PolarHBondContact N-O 3.24Å; R228-S247 PolarHBondContact N-O 2.85Å; R228-S247 PolarHBondContact O-N 2.81Å
248F93.8Very high91.2Very high0 Ų058.7 Ų58.70%028%0.284CS..EExtended strand (participates in β ladder)trans-94.1162.5172.1-71.9-85.4000111.8N200 V202 F220 V226 I246 E253 A254 A257N200-F248 WeakPolarHBondContact CB-O 3.35Å; N200-F248 PolarHBondContact O-N 2.9Å; V202-F248 HydrophobicContact CB-CE2 4.2Å; V202-F248 HydrophobicContact CG2-CD2 3.86Å; V202-F248 HydrophobicContact CG2-CE2 3.78Å; F220-F248 HydrophobicContact CB-CE1 4.44Å; F220-F248 HydrophobicContact CB-CZ 3.99Å; F220-F248 HydrophobicContact CD1-CE2 4.42Å; F220-F248 AromaticContact CD1-CZ 3.78Å; F220-F248 HydrophobicContact CD1-CZ 3.78Å; F220-F248 HydrophobicContact CG-CZ 4.25Å; V226-F248 HydrophobicContact CG2-CD1 4.4Å; V226-F248 HydrophobicContact CG2-CE1 3.84Å; V226-F248 HydrophobicContact CG2-CZ 4.37Å; I246-F248 HydrophobicContact CB-CE2 4.41Å; I246-F248 HydrophobicContact CG2-CD2 4.36Å; I246-F248 HydrophobicContact CG2-CE2 3.8Å; I246-F248 HydrophobicContact CG2-CZ 3.99Å; F248-E253 HydrophobicContact CB-CB 4.17Å; F248-E253 HydrophobicContact CD1-CB 4Å; F248-E253 HydrophobicContact CG-CB 4.29Å; F248-A254 HydrophobicContact CB-CB 4.13Å; F248-A254 HydrophobicContact CD2-CB 3.75Å; F248-A254 HydrophobicContact CG-CB 4.18Å; F248-A257 HydrophobicContact CE1-CB 4.34Å; F248-A257 HydrophobicContact CE2-CB 3.9Å; F248-A257 HydrophobicContact CZ-CB 3.61Å
249R91.5Very high91.8Very high161 Ų16160 Ų6061%0.60828%0.283SS*.SBendtrans-68.3-40.9175-174.3175.1179.8141.9-0.3111.4N200 H225 M227N200-R249 PolarHBondContact ND2-O 2.78Å; H225-R249 HydrophobicContact CB-CB 4.34Å; H225-R249 PolarHBondContact O-N 2.78Å; H225-R249 VanDerWaalsContact O-N 3.16Å; M227-R249 HydrophobicContact CG-CB 4.09Å; M227-R249 HydrophobicContact SD-CB 4.17Å; M227-R249 HydrophobicContact SD-CG 4.41Å
250T91.5Very high92.1Very high52 Ų5256.9 Ų56.932%0.31928%0.279SS..SBendtrans-125.6153.9-178.2640000111.6E252 E253 A254T250-E252 VanDerWaalsContact C-N 3.26Å; T250-E252 PolarHBondContact O-N 3.01Å; T250-E253 PolarHBondContact O-N 3.33Å; T250-E253 WeakPolarHBondContact OG1-CB 3.39Å; T250-E253 WeakPolarHBondContact OG1-CG 3.14Å; T250-E253 PolarHBondContact OG1-N 3.06Å; T250-E253 PolarHBondContact OG1-OE1 3.47Å; T250-A254 PolarHBondContact O-N 3.08Å
251A91.1Very high92.5Very high47 Ų4756 Ų5639%0.38827%0.274SS..Hα-helixtrans-66.4-29.317600000112.3N200 A254 K255N200-A251 WeakPolarHBondContact OD1-CB 3.33Å; N200-A251 PolarHBondContact OD1-N 3.13Å; A251-A254 PolarHBondContact O-N 3.37Å; A251-K255 WeakPolarHBondContact O-CB 3.47Å; A251-K255 PolarHBondContact O-N 2.93Å
252E92.9Very high92.6Very high154 Ų15452.2 Ų52.272%0.7227%0.267SS*.Hα-helixtrans-68-40.4178.3-63.5179.7177.700112.1T250 K255 S256T250-E252 VanDerWaalsContact C-N 3.26Å; T250-E252 PolarHBondContact O-N 3.01Å; E252-K255 PolarHBondContact O-N 3.44Å; E252-S256 WeakPolarHBondContact O-CB 3.48Å; E252-S256 PolarHBondContact O-N 2.82Å; E252-S256 PolarHBondContact O-OG 3.41Å
253E93.5Very high92.6Very high44 Ų4453.5 Ų53.521%0.20628%0.28CS..Hα-helixtrans-62.9-45.3172.8-74.5168.1-157.300111H225 F248 T250 K255 S256 A257H225-E253 PolarHBondContact N-OE2 3.26Å; F248-E253 HydrophobicContact CB-CB 4.17Å; F248-E253 HydrophobicContact CD1-CB 4Å; F248-E253 HydrophobicContact CG-CB 4.29Å; T250-E253 PolarHBondContact O-N 3.33Å; T250-E253 WeakPolarHBondContact OG1-CB 3.39Å; T250-E253 WeakPolarHBondContact OG1-CG 3.14Å; T250-E253 PolarHBondContact OG1-N 3.06Å; T250-E253 PolarHBondContact OG1-OE1 3.47Å; E253-K255 PolarHBondContact O-N 3.46Å; E253-S256 PolarHBondContact O-N 2.82Å; E253-A257 WeakPolarHBondContact O-CB 3.33Å; E253-A257 PolarHBondContact O-N 2.78Å
254A93.1Very high92.5Very high0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-59.9-44.7175.800000112V202 F248 T250 A251 S256 A257 I258 W275V202-A254 HydrophobicContact CG2-CB 3.65Å; F248-A254 HydrophobicContact CB-CB 4.13Å; F248-A254 HydrophobicContact CD2-CB 3.75Å; F248-A254 HydrophobicContact CG-CB 4.18Å; T250-A254 PolarHBondContact O-N 3.08Å; A251-A254 PolarHBondContact O-N 3.37Å; A254-S256 PolarHBondContact O-N 3.38Å; A254-A257 PolarHBondContact O-N 3.43Å; A254-I258 VanDerWaalsContact O-CG1 3.3Å; A254-I258 WeakPolarHBondContact O-CG1 3.21Å; A254-I258 PolarHBondContact O-N 2.83Å; A254-W275 HydrophobicContact CB-CH2 3.72Å; A254-W275 HydrophobicContact CB-CZ3 3.69Å
255K93.8Very high92.2Very high113 Ų11364.6 Ų64.649%0.49133%0.325SS..Hα-helixtrans-60.7-45.5176.4-173177.6179.5-177.50111.3A251 E252 E253 A257 I258 Y259 W275A251-K255 WeakPolarHBondContact O-CB 3.47Å; A251-K255 PolarHBondContact O-N 2.93Å; E252-K255 PolarHBondContact O-N 3.44Å; E253-K255 PolarHBondContact O-N 3.46Å; K255-A257 VanDerWaalsContact C-N 3.34Å; K255-A257 PolarHBondContact O-N 2.78Å; K255-I258 PolarHBondContact O-N 2.72Å; K255-Y259 HydrophobicContact CD-CE2 4.28Å; K255-Y259 HydrophobicContact CG-CD2 3.93Å; K255-Y259 HydrophobicContact CG-CE2 3.58Å; K255-Y259 WeakPolarHBondContact O-CD2 3.1Å; K255-Y259 PolarHBondContact O-N 2.95Å; K255-Y259 VanDerWaalsContact O-N 3.14Å; K255-W275 HydrophobicContact CB-CH2 4.27Å; K255-W275 HydrophobicContact CB-CZ2 3.92Å; K255-W275 HydrophobicContact CG-CZ2 4.4Å
256S93.2Very high91.8Very high63 Ų6363.4 Ų63.444%0.44132%0.321SS..Hα-helixtrans-62.7-41.5178.4-58.10000111.8E252 E253 A254 I258 Y259 G260E252-S256 WeakPolarHBondContact O-CB 3.48Å; E252-S256 PolarHBondContact O-N 2.82Å; E252-S256 PolarHBondContact O-OG 3.41Å; E253-S256 PolarHBondContact O-N 2.82Å; A254-S256 PolarHBondContact O-N 3.38Å; S256-I258 PolarHBondContact O-N 3.18Å; S256-Y259 PolarHBondContact O-N 3.09Å; S256-G260 PolarHBondContact O-N 3.21Å
257A93.3Very high91.2Very high0 Ų067.2 Ų67.20%034%0.341CS..Hα-helixtrans-62.5-39.717500000112.6F220 F223 F248 E253 A254 K255 V261F220-A257 HydrophobicContact CD1-CB 4.03Å; F220-A257 HydrophobicContact CE1-CB 4.3Å; F223-A257 HydrophobicContact CB-CB 3.8Å; F223-A257 HydrophobicContact CD2-CB 4.42Å; F223-A257 HydrophobicContact CG-CB 4.1Å; F248-A257 HydrophobicContact CE1-CB 4.34Å; F248-A257 HydrophobicContact CE2-CB 3.9Å; F248-A257 HydrophobicContact CZ-CB 3.61Å; E253-A257 WeakPolarHBondContact O-CB 3.33Å; E253-A257 PolarHBondContact O-N 2.78Å; A254-A257 PolarHBondContact O-N 3.43Å; K255-A257 VanDerWaalsContact C-N 3.34Å; K255-A257 PolarHBondContact O-N 2.78Å; A257-V261 WeakPolarHBondContact O-CB 3.48Å; A257-V261 WeakPolarHBondContact O-CG2 3.44Å; A257-V261 PolarHBondContact O-N 3.23Å
258I94.1Very high90.8Very high14 Ų1474.5 Ų74.57%0.07237%0.373CS..Hα-helixtrans-61.9-49.3176.2-68.9161.7000110.5V202 A254 K255 S256 G260 N262 V273 W275V202-I258 HydrophobicContact CG1-CG1 3.91Å; V202-I258 HydrophobicContact CG2-CD1 4.12Å; V202-I258 HydrophobicContact CG2-CG1 4.12Å; A254-I258 VanDerWaalsContact O-CG1 3.3Å; A254-I258 WeakPolarHBondContact O-CG1 3.21Å; A254-I258 PolarHBondContact O-N 2.83Å; K255-I258 PolarHBondContact O-N 2.72Å; S256-I258 PolarHBondContact O-N 3.18Å; I258-G260 PolarHBondContact O-N 3.28Å; I258-N262 WeakPolarHBondContact O-CB 3.44Å; I258-N262 PolarHBondContact O-N 3.41Å; I258-N262 VanDerWaalsContact O-N 3.16Å; I258-V273 HydrophobicContact CB-CG1 4.44Å; I258-V273 HydrophobicContact CG1-CG1 3.91Å; I258-W275 HydrophobicContact CD1-CD2 3.46Å; I258-W275 VanDerWaalsContact CD1-CD2 3.46Å; I258-W275 HydrophobicContact CD1-CE3 4.06Å; I258-W275 HydrophobicContact CD1-CG 3.77Å; I258-W275 HydrophobicContact CD1-CH2 4.27Å; I258-W275 HydrophobicContact CD1-CZ2 3.7Å; I258-W275 HydrophobicContact CD1-CZ3 4.43Å
259Y92.9Very high90.6Very high177 Ų17775.7 Ų75.769%0.69438%0.38SS*.Hα-helixtrans-69.2-34-178.9-73.2-69.2000113.5K255 S256K255-Y259 HydrophobicContact CD-CE2 4.28Å; K255-Y259 HydrophobicContact CG-CD2 3.93Å; K255-Y259 HydrophobicContact CG-CE2 3.58Å; K255-Y259 WeakPolarHBondContact O-CD2 3.1Å; K255-Y259 PolarHBondContact O-N 2.95Å; K255-Y259 VanDerWaalsContact O-N 3.14Å; S256-Y259 PolarHBondContact O-N 3.09Å
260G91Very high90.6Very high39 Ų3970.7 Ų70.740%0.40237%0.367SS..Hα-helixtrans-81.3-35-177.200000114.7S256 I258S256-G260 PolarHBondContact O-N 3.21Å; I258-G260 PolarHBondContact O-N 3.28Å
261V91.5Very high90.7Very high0 Ų068.3 Ų68.30%035%0.352CS..Hα-helixtrans-98.4-21.6-173.6-174.60000112.4V219 F220 F223 A257 G263 L264 L271 V273V219-V261 HydrophobicContact CG1-CG1 4.37Å; V219-V261 HydrophobicContact CG1-CG2 4.43Å; F220-V261 HydrophobicContact CD1-CG2 4.29Å; F220-V261 HydrophobicContact CE1-CB 4.16Å; F220-V261 HydrophobicContact CE1-CG1 4.15Å; F220-V261 HydrophobicContact CE1-CG2 3.91Å; F220-V261 HydrophobicContact CZ-CB 4.41Å; F220-V261 HydrophobicContact CZ-CG1 3.91Å; F220-V261 HydrophobicContact CZ-CG2 4.44Å; F223-V261 HydrophobicContact CD2-CG2 3.75Å; F223-V261 HydrophobicContact CE2-CG2 3.13Å; F223-V261 HydrophobicContact CZ-CG2 3.6Å; A257-V261 WeakPolarHBondContact O-CB 3.48Å; A257-V261 WeakPolarHBondContact O-CG2 3.44Å; A257-V261 PolarHBondContact O-N 3.23Å; V261-G263 PolarHBondContact O-N 3.32Å; V261-G263 VanDerWaalsContact O-N 3.11Å; V261-L264 HydrophobicContact CG1-CB 4.27Å; V261-L264 HydrophobicContact CG1-CD2 4.24Å; V261-L264 WeakPolarHBondContact O-CB 3.34Å; V261-L264 PolarHBondContact O-N 3.36Å; V261-L271 HydrophobicContact CG1-CB 4.46Å; V261-L271 HydrophobicContact CG1-CD1 4.11Å; V261-V273 HydrophobicContact CB-CG2 3.9Å; V261-V273 HydrophobicContact CG1-CG2 3.72Å
262N92.4Very high90.8Very high86 Ų8671.7 Ų71.746%0.4636%0.358SS..THydrogen-bonded Turntrans-65116.2178.4-170.925.6000110.5I258 V273I258-N262 WeakPolarHBondContact O-CB 3.44Å; I258-N262 PolarHBondContact O-N 3.41Å; I258-N262 VanDerWaalsContact O-N 3.16Å; N262-V273 HydrophobicContact CB-CB 4.3Å; N262-V273 PolarHBondContact OD1-N 3.39Å
263G90.1Very high90.9Very high45 Ų4564.6 Ų64.646%0.46433%0.325SS..THydrogen-bonded Turntrans93.6-1.2-173.800000114.7V261 L271V261-G263 PolarHBondContact O-N 3.32Å; V261-G263 VanDerWaalsContact O-N 3.11Å; G263-L271 PolarHBondContact N-O 3.29Å
264L88.8Confident90.9Very high75 Ų7566.5 Ų66.539%0.39334%0.337SS..  trans-69.4131.8176.8-173.268.2000110.7V219 V261 L271V219-L264 HydrophobicContact CG1-CD2 4.27Å; V261-L264 HydrophobicContact CG1-CB 4.27Å; V261-L264 HydrophobicContact CG1-CD2 4.24Å; V261-L264 WeakPolarHBondContact O-CB 3.34Å; V261-L264 PolarHBondContact O-N 3.36Å; L264-L271 PolarHBondContact O-N 2.64Å
265R88.6Confident90.9Very high206 Ų20671.4 Ų71.478%0.77736%0.356SS*.EExtended strand (participates in β ladder)trans-81.8119.2173-69.7173.8-172-92.91.1109.3V269 V270R265-V269 CarbonylContact C-O 3.59Å; R265-V269 WeakPolarHBondContact CA-O 3.34Å; R265-V270 HydrophobicContact CG-CG2 3.9Å
266H83.6Confident90.7Very high39 Ų3966.7 Ų66.718%0.18134%0.337CS..EExtended strand (participates in β ladder)trans-133.3124.4175.2-174.969000109E215 H268 V269 L271E215-H266 IonicContact OE2-NE2 3.87Å; H266-H268 PolarHBondContact O-N 3.46Å; H266-V269 PolarHBondContact N-O 3.15Å; H266-V269 PolarHBondContact O-N 3.27Å; H266-V269 VanDerWaalsContact O-N 3.11Å; H266-V269 VanDerWaalsContact O-O 3.05Å; H266-L271 HydrophobicContact CB-CD1 3.75Å; H266-L271 HydrophobicContact CB-CD2 4.48Å; H266-L271 HydrophobicContact CB-CG 3.99Å
267N81.1Confident90.2Very high79 Ų7974 Ų7442%0.42236%0.356SS..THydrogen-bonded Turntrans41.571.1-177.8-60.8-14.2000111.5P208 V269P208-N267 HydrophobicContact CG-CB 3.98Å; N267-V269 PolarHBondContact O-N 3.22Å
268H84.6Confident89.1Confident171 Ų17179.2 Ų79.279%0.79239%0.389SS*.THydrogen-bonded Turntrans58.6-2.8178.464.2-91000117.6H266H266-H268 PolarHBondContact O-N 3.46Å
269V90.5Very high87.7Confident25 Ų2583.8 Ų83.815%0.15242%0.423CS..EExtended strand (participates in β ladder)trans-117.5147.6-178.1-172.90000110.8N206 P208 R265 H266 N267N206-V269 HydrophobicContact CB-CG1 4.12Å; N206-V269 WeakPolarHBondContact ND2-CG1 3.4Å; N206-V269 WeakPolarHBondContact O-CG1 3.41Å; N206-V269 WeakPolarHBondContact OD1-CG1 3.5Å; P208-V269 HydrophobicContact CG-CG2 4.45Å; R265-V269 CarbonylContact C-O 3.59Å; R265-V269 WeakPolarHBondContact CA-O 3.34Å; H266-V269 PolarHBondContact N-O 3.15Å; H266-V269 PolarHBondContact O-N 3.27Å; H266-V269 VanDerWaalsContact O-N 3.11Å; H266-V269 VanDerWaalsContact O-O 3.05Å; N267-V269 PolarHBondContact O-N 3.22Å
270V92.2Very high85.7Confident55 Ų5583.4 Ų83.433%0.33343%0.432SS..EExtended strand (participates in β ladder)trans-91.6116.8173.3179.70000108.8N206 R265N206-V270 PolarHBondContact ND2-O 3.48Å; R265-V270 HydrophobicContact CG-CG2 3.9Å
271L92.4Very high83.2Confident2 Ų291 Ų911%0.0146%0.464CS..  trans-72.9135178.6-59.7179.1000110.1L207 V261 G263 L264 H266L207-L271 HydrophobicContact CD2-CD2 4.29Å; L207-L271 HydrophobicContact CG-CD2 4.29Å; V261-L271 HydrophobicContact CG1-CB 4.46Å; V261-L271 HydrophobicContact CG1-CD1 4.11Å; G263-L271 PolarHBondContact N-O 3.29Å; L264-L271 PolarHBondContact O-N 2.64Å; H266-L271 HydrophobicContact CB-CD1 3.75Å; H266-L271 HydrophobicContact CB-CD2 4.48Å; H266-L271 HydrophobicContact CB-CG 3.99Å
272K93.3Very high82.8Confident119 Ų11995.5 Ų95.552%0.51749%0.487SS..EExtended strand (participates in β ladder)trans-113.4124.5172.3176.8178.7-178.3178.80109.4T205T205-K272 PolarHBondContact N-O 3.03Å; T205-K272 PolarHBondContact O-N 3.39Å; T205-K272 VanDerWaalsContact O-N 3.11Å; T205-K272 WeakPolarHBondContact OG1-CB 3.34Å; T205-K272 PolarHBondContact OG1-O 3.4Å
273V94.3Very high82.3Confident4 Ų496 Ų962%0.02449%0.488CS..EExtended strand (participates in β ladder)trans-121.5128.2-172.4-171.30000109V202 V204 F220 I258 V261 N262V202-V273 HydrophobicContact CG1-CG1 3.12Å; V204-V273 HydrophobicContact CG1-CG2 4.35Å; V204-V273 HydrophobicContact CG2-CG1 4.47Å; V204-V273 HydrophobicContact CG2-CG2 4.46Å; F220-V273 HydrophobicContact CE1-CG1 4.43Å; F220-V273 HydrophobicContact CZ-CG2 4.28Å; I258-V273 HydrophobicContact CB-CG1 4.44Å; I258-V273 HydrophobicContact CG1-CG1 3.91Å; V261-V273 HydrophobicContact CB-CG2 3.9Å; V261-V273 HydrophobicContact CG1-CG2 3.72Å; N262-V273 HydrophobicContact CB-CB 4.3Å; N262-V273 PolarHBondContact OD1-N 3.39Å
274D94Very high81.9Confident85 Ų8598.8 Ų98.846%0.45549%0.489SS..EExtended strand (participates in β ladder)trans-142.4164.8-177.3-154.2-26.2000109.7V202 R203 A276V202-D274 WeakPolarHBondContact CG1-O 3.37Å; R203-D274 PolarHBondContact N-O 3.48Å; R203-D274 PolarHBondContact O-N 3.12Å; D274-A276 PolarHBondContact O-N 2.93Å
275W92.6Very high81.5Confident103 Ų103100.2 Ų100.239%0.3950%0.495SS..EExtended strand (participates in β ladder)trans-63.3137171.3-69.699.3000110.1A254 K255 I258 R277A254-W275 HydrophobicContact CB-CH2 3.72Å; A254-W275 HydrophobicContact CB-CZ3 3.69Å; K255-W275 HydrophobicContact CB-CH2 4.27Å; K255-W275 HydrophobicContact CB-CZ2 3.92Å; K255-W275 HydrophobicContact CG-CZ2 4.4Å; I258-W275 HydrophobicContact CD1-CD2 3.46Å; I258-W275 VanDerWaalsContact CD1-CD2 3.46Å; I258-W275 HydrophobicContact CD1-CE3 4.06Å; I258-W275 HydrophobicContact CD1-CG 3.77Å; I258-W275 HydrophobicContact CD1-CH2 4.27Å; I258-W275 HydrophobicContact CD1-CZ2 3.7Å; I258-W275 HydrophobicContact CD1-CZ3 4.43Å; W275-R277 PolarHBondContact O-N 3.08Å
276A89.9Confident81Confident13 Ų1393.6 Ų93.611%0.10748%0.478CS..PPolyproline II helixtrans-69.4127.7172.500000108.5T201 R203 F245 D274T201-A276 VanDerWaalsContact O-CB 3.3Å; T201-A276 WeakPolarHBondContact O-CB 3.47Å; T201-A276 PolarHBondContact O-N 2.99Å; T201-A276 VanDerWaalsContact OG1-CB 3.25Å; T201-A276 WeakPolarHBondContact OG1-CB 3.45Å; R203-A276 HydrophobicContact CB-CB 4.26Å; F245-A276 HydrophobicContact CD1-CB 3.95Å; F245-A276 HydrophobicContact CE1-CB 4.07Å; D274-A276 PolarHBondContact O-N 2.93Å
277R83.3Confident80.9Confident218 Ų21897.3 Ų97.382%0.82350%0.497SS*.PPolyproline II helixtrans-67.3131.7170.4-64-177.2-176.1177.8-0.7107.3W275 S279W275-R277 PolarHBondContact O-N 3.08Å; R277-S279 PolarHBondContact O-N 3.18Å
278P70.9Confident80.8Confident109 Ų10998.6 Ų98.671%0.70850%0.503SS*.PPolyproline II helixtrans-54.3132.1171.723.9-32.3000107.6N280P278-N280 PolarHBondContact O-N 2.9Å
279S63.6Low80.6Confident110 Ų11093 Ų9377%0.76948%0.48SS*.  trans-66.992.6174.6-176.90000107R277 N281R277-S279 PolarHBondContact O-N 3.18Å; S279-N281 PolarHBondContact O-N 3.22Å
280N52.1Low79.7Confident168 Ų16898.7 Ų98.790%0.89851%0.508SS*.  trans-71.298.8172.8-16029.7000106.7P278P278-N280 PolarHBondContact O-N 2.9Å
281N38.4Very low78.6Confident198 Ų198102.6 Ų102.6100%1.05952%0.524SS*.  trans-124.20175.1-152.369.8000108.3S279S279-N281 PolarHBondContact O-N 3.22Å

Retrieved 281 of 281 residues in 161.1 ms (Link to these results)