A0A077ZLJ5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 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
1M94.9Very high93.9Very high24 Ų2456.7 Ų56.712%0.11828%0.281CS..  0122.40-70.1-177.967.400108.9R21 L23 L35 V39 L78 L113 F115M1-R21 PolarHBondContact N-O 3.14Å; M1-R21 PolarHBondContact O-N 3.02Å; M1-L23 HydrophobicContact CB-CD1 3.86Å; M1-L23 HydrophobicContact CG-CD1 3.71Å; M1-L23 HydrophobicContact SD-CD1 3.85Å; M1-L23 HydrophobicContact SD-CD2 4.3Å; M1-L35 HydrophobicContact CE-CB 4.41Å; M1-L35 HydrophobicContact SD-CB 4.39Å; M1-L35 HydrophobicContact SD-CD2 4.19Å; M1-V39 HydrophobicContact CE-CG2 3.35Å; M1-V39 HydrophobicContact SD-CG2 4.31Å; M1-L78 HydrophobicContact CE-CD1 3.37Å; M1-L113 CarbonylContact C-O 3.6Å; M1-L113 WeakPolarHBondContact CA-O 3.47Å; M1-L113 HydrophobicContact CG-CB 4.04Å; M1-L113 HydrophobicContact CG-CD1 4.44Å; M1-F115 HydrophobicContact CB-CD1 4.32Å; M1-F115 HydrophobicContact CE-CB 4.2Å; M1-F115 HydrophobicContact CE-CD1 4.35Å
2R96.1Very high93.4Very high83 Ų8365.8 Ų65.831%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-107.4154.6178.5-60.1-178.367.1124.5-1.9110.1E8 P20 E112 L113 Y114 F115R2-E8 IonicContact CZ-OE1 2.87Å; R2-E8 VanDerWaalsContact CZ-OE1 3.25Å; R2-E8 IonicContact CZ-OE2 2.84Å; R2-E8 IonicContact NE-OE1 2.82Å; R2-E8 PolarHBondContact NE-OE1 3.31Å; R2-E8 IonicContact NE-OE2 3.62Å; R2-E8 PolarHBondContact NE-OE2 3.25Å; R2-E8 IonicContact NH2-OE1 2.89Å; R2-E8 PolarHBondContact NH2-OE1 3.2Å; R2-E8 IonicContact NH2-OE2 2.78Å; R2-E8 PolarHBondContact NH2-OE2 3.44Å; R2-P20 HydrophobicContact CG-CB 4.11Å; R2-E112 WeakPolarHBondContact CD-OE1 3.45Å; R2-E112 IonicContact NE-OE1 3.29Å; R2-E112 IonicContact NH1-OE1 3.28Å; R2-L113 PolarHBondContact N-O 3.15Å; R2-Y114 HydrophobicContact CB-CD1 3.77Å; R2-Y114 HydrophobicContact CB-CE1 3.91Å; R2-Y114 HydrophobicContact CB-CG 4.43Å; R2-Y114 HydrophobicContact CG-CE1 4.43Å; R2-Y114 CarbonylContact O-C 3.6Å; R2-Y114 WeakPolarHBondContact O-CA 3.45Å; R2-F115 WeakPolarHBondContact O-CD1 3.41Å; R2-F115 WeakPolarHBondContact O-CE1 3.47Å; R2-F115 PolarHBondContact O-N 3.48Å
3P96.4Very high93Very high0 Ų061.5 Ų61.50%030%0.297CS..EExtended strand (participates in β ladder)trans-63149164.4-9.125000109I7 E8 I17 R18 Y114 F115P3-I7 HydrophobicContact CB-CB 4.05Å; P3-I7 HydrophobicContact CB-CG2 3.82Å; P3-E8 HydrophobicContact CB-CB 4.16Å; P3-E8 HydrophobicContact CG-CB 4.34Å; P3-I17 WeakPolarHBondContact CG-O 3.32Å; P3-R18 VanDerWaalsContact CG-C 3.47Å; P3-R18 WeakPolarHBondContact CG-O 3.31Å; P3-Y114 WeakPolarHBondContact O-CD1 3.48Å; P3-F115 CarbonylContact C-O 3.53Å; P3-F115 HydrophobicContact CB-CE1 4.32Å; P3-F115 HydrophobicContact CB-CE2 4.13Å; P3-F115 HydrophobicContact CB-CZ 3.84Å; P3-F115 HydrophobicContact CG-CE1 4.14Å; P3-F115 HydrophobicContact CG-CE2 4.5Å; P3-F115 HydrophobicContact CG-CZ 3.76Å
4H96.7Very high92.6Very high30 Ų3060.1 Ų60.114%0.13929%0.294CS..  trans-57.1144.6172.4-174.4-76.6000109.3D6 I7 E8 F115 R116H4-D6 WeakPolarHBondContact CB-OD1 3.48Å; H4-D6 IonicContact CE1-OD1 2.72Å; H4-D6 IonicContact CE1-OD2 3.25Å; H4-D6 IonicContact CG-OD1 3.83Å; H4-D6 VanDerWaalsContact CG-OD1 3.32Å; H4-D6 PolarHBondContact ND1-N 3.23Å; H4-D6 IonicContact ND1-OD1 3.27Å; H4-D6 PolarHBondContact ND1-OD1 2.91Å; H4-D6 IonicContact ND1-OD2 2.62Å; H4-D6 PolarHBondContact ND1-OD2 3.4Å; H4-D6 PolarHBondContact O-N 3.1Å; H4-I7 WeakPolarHBondContact O-CA 3.21Å; H4-I7 WeakPolarHBondContact O-CB 3.47Å; H4-I7 PolarHBondContact O-N 3.33Å; H4-E8 PolarHBondContact O-N 3.2Å; H4-F115 WeakPolarHBondContact CB-O 3.43Å; H4-F115 PolarHBondContact N-O 3.15Å; H4-R116 HydrophobicContact CB-CB 4Å; H4-R116 HydrophobicContact CB-CG 4.46Å; H4-R116 PolarHBondContact CE1-NH2 2.96Å; H4-R116 PolarHBondContact ND1-NH2 3.23Å; H4-R116 PolarHBondContact NE2-NH2 3.06Å; H4-R116 VanDerWaalsContact NE2-NH2 3.16Å
5P94.8Very high92.4Very high47 Ų4762.7 Ų62.731%0.30531%0.31SS..Hα-helixtrans-54.9-24.2-173.4-31.636.4000116.4I7 N9 L87 Y114P5-I7 VanDerWaalsContact C-N 3.29Å; P5-N9 WeakPolarHBondContact O-CB 3.39Å; P5-N9 PolarHBondContact O-N 3.21Å; P5-N9 PolarHBondContact O-ND2 3.16Å; P5-L87 HydrophobicContact CG-CD1 3.99Å; P5-Y114 HydrophobicContact CG-CE1 4.48Å
6D92.9Very high92.2Very high64 Ų6461.3 Ų61.334%0.34230%0.3SS..Hα-helixtrans-72-19.5173.862.4-8.5000113.9H4 N10 R116H4-D6 WeakPolarHBondContact CB-OD1 3.48Å; H4-D6 IonicContact CE1-OD1 2.72Å; H4-D6 IonicContact CE1-OD2 3.25Å; H4-D6 IonicContact CG-OD1 3.83Å; H4-D6 VanDerWaalsContact CG-OD1 3.32Å; H4-D6 PolarHBondContact ND1-N 3.23Å; H4-D6 IonicContact ND1-OD1 3.27Å; H4-D6 PolarHBondContact ND1-OD1 2.91Å; H4-D6 IonicContact ND1-OD2 2.62Å; H4-D6 PolarHBondContact ND1-OD2 3.4Å; H4-D6 PolarHBondContact O-N 3.1Å; D6-N10 VanDerWaalsContact O-CB 3.24Å; D6-N10 WeakPolarHBondContact O-CB 3.46Å; D6-R116 IonicContact OD1-NE 2.63Å; D6-R116 IonicContact OD2-CZ 2.6Å; D6-R116 VanDerWaalsContact OD2-CZ 3.27Å; D6-R116 IonicContact OD2-NE 2.91Å; D6-R116 PolarHBondContact OD2-NE 3.46Å; D6-R116 IonicContact OD2-NH2 3.85Å; D6-R116 PolarHBondContact OD2-NH2 2.77Å
7I93.9Very high92.2Very high1 Ų157.9 Ų57.91%0.00528%0.283CS..Hα-helixtrans-97.2-49.7171.8-64.5169.3000109.8P3 H4 P5 N9 N10 Y13 I17 R18 R116 L122P3-I7 HydrophobicContact CB-CB 4.05Å; P3-I7 HydrophobicContact CB-CG2 3.82Å; H4-I7 WeakPolarHBondContact O-CA 3.21Å; H4-I7 WeakPolarHBondContact O-CB 3.47Å; H4-I7 PolarHBondContact O-N 3.33Å; P5-I7 VanDerWaalsContact C-N 3.29Å; I7-N9 VanDerWaalsContact C-N 3.26Å; I7-N9 PolarHBondContact O-N 3.15Å; I7-N10 PolarHBondContact O-N 2.93Å; I7-N10 VanDerWaalsContact O-N 3.11Å; I7-Y13 HydrophobicContact CB-CD2 4.15Å; I7-Y13 HydrophobicContact CB-CE2 4.13Å; I7-Y13 HydrophobicContact CG1-CD2 4.34Å; I7-Y13 HydrophobicContact CG1-CE2 3.87Å; I7-Y13 HydrophobicContact CG2-CD2 3.79Å; I7-Y13 HydrophobicContact CG2-CE2 4.2Å; I7-Y13 HydrophobicContact CG2-CG 4.27Å; I7-I17 HydrophobicContact CG2-CG2 3.82Å; I7-R18 WeakPolarHBondContact O-CG 3.33Å; I7-R116 HydrophobicContact CD1-CB 4.41Å; I7-R116 HydrophobicContact CD1-CG 3.81Å; I7-L122 HydrophobicContact CD1-CD1 3.79Å; I7-L122 HydrophobicContact CG1-CD1 4.16Å
8E92.9Very high92.2Very high29 Ų2958.2 Ų58.214%0.13628%0.281CS..Hα-helixtrans-54.5-41.9-174.1-178165.5-143.700112.3R2 P3 H4 R18R2-E8 IonicContact CZ-OE1 2.87Å; R2-E8 VanDerWaalsContact CZ-OE1 3.25Å; R2-E8 IonicContact CZ-OE2 2.84Å; R2-E8 IonicContact NE-OE1 2.82Å; R2-E8 PolarHBondContact NE-OE1 3.31Å; R2-E8 IonicContact NE-OE2 3.62Å; R2-E8 PolarHBondContact NE-OE2 3.25Å; R2-E8 IonicContact NH2-OE1 2.89Å; R2-E8 PolarHBondContact NH2-OE1 3.2Å; R2-E8 IonicContact NH2-OE2 2.78Å; R2-E8 PolarHBondContact NH2-OE2 3.44Å; P3-E8 HydrophobicContact CB-CB 4.16Å; P3-E8 HydrophobicContact CG-CB 4.34Å; H4-E8 PolarHBondContact O-N 3.2Å; E8-R18 WeakPolarHBondContact O-CD 3.45Å
9N91.9Very high92.3Very high126 Ų12659.9 Ų59.967%0.67429%0.289SS*.THydrogen-bonded Turntrans-94.52-176.1-60.2-36.5000114.2P5 I7P5-N9 WeakPolarHBondContact O-CB 3.39Å; P5-N9 PolarHBondContact O-N 3.21Å; P5-N9 PolarHBondContact O-ND2 3.16Å; I7-N9 VanDerWaalsContact C-N 3.26Å; I7-N9 PolarHBondContact O-N 3.15Å
10N91.6Very high92.5Very high51 Ų5159.4 Ų59.427%0.27329%0.29SS..  trans-101.8101.2-173.8-179.4-7.9000111.2D6 I7 K12 Y13 R18D6-N10 VanDerWaalsContact O-CB 3.24Å; D6-N10 WeakPolarHBondContact O-CB 3.46Å; I7-N10 PolarHBondContact O-N 2.93Å; I7-N10 VanDerWaalsContact O-N 3.11Å; N10-K12 PolarHBondContact O-N 3.41Å; N10-K12 VanDerWaalsContact OD1-CB 3.26Å; N10-K12 WeakPolarHBondContact OD1-CB 3.04Å; N10-K12 WeakPolarHBondContact OD1-CG 3.5Å; N10-K12 PolarHBondContact OD1-N 2.93Å; N10-K12 VanDerWaalsContact OD1-N 3.13Å; N10-Y13 HydrophobicContact CB-CD2 3.76Å; N10-Y13 HydrophobicContact CB-CE2 3.87Å; N10-Y13 WeakPolarHBondContact ND2-CE2 3.37Å; N10-Y13 PolarHBondContact O-N 2.79Å; N10-R18 VanDerWaalsContact O-CD 3.24Å; N10-R18 WeakPolarHBondContact O-CD 3.32Å
11E90.5Very high92.6Very high169 Ų16957.4 Ų57.479%0.7928%0.279SS*.THydrogen-bonded Turntrans-60-13.3-176.2-62.4-175.6167.900115Y13E11-Y13 PolarHBondContact O-N 2.89Å
12K88Confident92.7Very high166 Ų16666.1 Ų66.172%0.72231%0.312SS*.THydrogen-bonded Turntrans-64.7-23.7171.4-61.2-176.6178.4-174.20112.5N10N10-K12 PolarHBondContact O-N 3.41Å; N10-K12 VanDerWaalsContact OD1-CB 3.26Å; N10-K12 WeakPolarHBondContact OD1-CB 3.04Å; N10-K12 WeakPolarHBondContact OD1-CG 3.5Å; N10-K12 PolarHBondContact OD1-N 2.93Å; N10-K12 VanDerWaalsContact OD1-N 3.13Å
13Y88.3Confident92.6Very high10 Ų1065 Ų654%0.03931%0.312CS..SBendtrans-88139.7177.1-59.7-61.2000111.7I7 N10 E11 R18 L122 L123I7-Y13 HydrophobicContact CB-CD2 4.15Å; I7-Y13 HydrophobicContact CB-CE2 4.13Å; I7-Y13 HydrophobicContact CG1-CD2 4.34Å; I7-Y13 HydrophobicContact CG1-CE2 3.87Å; I7-Y13 HydrophobicContact CG2-CD2 3.79Å; I7-Y13 HydrophobicContact CG2-CE2 4.2Å; I7-Y13 HydrophobicContact CG2-CG 4.27Å; N10-Y13 HydrophobicContact CB-CD2 3.76Å; N10-Y13 HydrophobicContact CB-CE2 3.87Å; N10-Y13 WeakPolarHBondContact ND2-CE2 3.37Å; N10-Y13 PolarHBondContact O-N 2.79Å; E11-Y13 PolarHBondContact O-N 2.89Å; Y13-R18 WeakPolarHBondContact O-CD 3.47Å; Y13-R18 PolarHBondContact O-NE 3.2Å; Y13-L122 HydrophobicContact CD1-CB 3.73Å; Y13-L122 HydrophobicContact CD1-CD1 4Å; Y13-L122 HydrophobicContact CD1-CG 4.47Å; Y13-L122 HydrophobicContact CE1-CB 3.48Å; Y13-L122 VanDerWaalsContact CE1-CB 3.48Å; Y13-L122 HydrophobicContact CE1-CD1 3.6Å; Y13-L122 HydrophobicContact CE1-CG 4.2Å; Y13-L123 HydrophobicContact CD1-CD2 4.1Å; Y13-L123 HydrophobicContact CD1-CG 4.15Å; Y13-L123 HydrophobicContact CE1-CD1 3.79Å; Y13-L123 HydrophobicContact CE1-CD2 4.14Å; Y13-L123 HydrophobicContact CE1-CG 3.71Å
14P87.4Confident92.6Very high41 Ų4175.1 Ų75.127%0.26636%0.356SS..  trans-53.6146.4174.1-26.433.6000112.9Y16 I17 R18P14-Y16 HydrophobicContact CB-CD1 3.62Å; P14-Y16 HydrophobicContact CB-CE1 3.18Å; P14-Y16 HydrophobicContact CB-CE2 4.28Å; P14-Y16 HydrophobicContact CB-CG 4.33Å; P14-Y16 HydrophobicContact CG-CE1 3.89Å; P14-Y16 PolarHBondContact O-N 3.45Å; P14-Y16 VanDerWaalsContact O-N 3.15Å; P14-I17 HydrophobicContact CB-CD1 4.45Å; P14-I17 HydrophobicContact CB-CG1 4.33Å; P14-I17 HydrophobicContact CG-CD1 4.15Å; P14-I17 WeakPolarHBondContact O-CB 3.2Å; P14-I17 PolarHBondContact O-N 3.03Å; P14-R18 PolarHBondContact O-N 3.04Å
15L90.3Very high92.6Very high100 Ų10077.4 Ų77.452%0.52437%0.372SS..Hα-helixtrans-55.2-37.9-175.6-175.964.4000112.8I17 R18 Q19L15-I17 PolarHBondContact O-N 3.3Å; L15-R18 PolarHBondContact O-N 3.4Å; L15-R18 VanDerWaalsContact O-N 3.07Å; L15-Q19 HydrophobicContact CD1-CG 4.31Å; L15-Q19 HydrophobicContact CG-CG 4.26Å; L15-Q19 VanDerWaalsContact O-CG 3.28Å; L15-Q19 WeakPolarHBondContact O-CG 3.18Å; L15-Q19 PolarHBondContact O-N 3.23Å; L15-Q19 VanDerWaalsContact O-N 3.15Å
16Y88.8Confident92.6Very high40 Ų4077.3 Ų77.316%0.15737%0.373CS..Hα-helixtrans-64.5-22.2179.663.3-100.6000113.8P14 R21 V43 D46 T47 A50P14-Y16 HydrophobicContact CB-CD1 3.62Å; P14-Y16 HydrophobicContact CB-CE1 3.18Å; P14-Y16 HydrophobicContact CB-CE2 4.28Å; P14-Y16 HydrophobicContact CB-CG 4.33Å; P14-Y16 HydrophobicContact CG-CE1 3.89Å; P14-Y16 PolarHBondContact O-N 3.45Å; P14-Y16 VanDerWaalsContact O-N 3.15Å; Y16-R21 PolarHBondContact O-NH2 2.89Å; Y16-V43 HydrophobicContact CE2-CG1 4.28Å; Y16-D46 HydrophobicContact CD2-CB 3.8Å; Y16-D46 HydrophobicContact CG-CB 3.98Å; Y16-T47 VanDerWaalsContact CE2-OG1 3.23Å; Y16-T47 WeakPolarHBondContact CE2-OG1 3.25Å; Y16-T47 PolarHBondContact OH-OG1 3.09Å; Y16-A50 HydrophobicContact CD1-CB 4.46Å; Y16-A50 HydrophobicContact CE1-CB 4.19Å
17I91.5Very high92.7Very high3 Ų376.9 Ų76.92%0.01537%0.374CS..Hα-helixtrans-83.4-34.9174.8-52.3-171.9000110.2P3 I7 P14 L15 Q19 V43 L122P3-I17 WeakPolarHBondContact CG-O 3.32Å; I7-I17 HydrophobicContact CG2-CG2 3.82Å; P14-I17 HydrophobicContact CB-CD1 4.45Å; P14-I17 HydrophobicContact CB-CG1 4.33Å; P14-I17 HydrophobicContact CG-CD1 4.15Å; P14-I17 WeakPolarHBondContact O-CB 3.2Å; P14-I17 PolarHBondContact O-N 3.03Å; L15-I17 PolarHBondContact O-N 3.3Å; I17-Q19 VanDerWaalsContact C-N 3.31Å; I17-Q19 PolarHBondContact O-N 2.79Å; I17-V43 HydrophobicContact CD1-CG1 4.42Å; I17-V43 HydrophobicContact CG1-CG1 4.39Å; I17-L122 HydrophobicContact CD1-CD2 3.61Å; I17-L122 HydrophobicContact CG2-CD1 4.44Å; I17-L122 HydrophobicContact CG2-CD2 3.74Å
18R93.3Very high92.8Very high63 Ų6380.1 Ų80.124%0.23840%0.396CS..Hα-helixtrans-80.7-7.3-177.7-59.6-168.3-68.2121.6-7.4114.2P3 I7 E8 N10 Y13 P14 L15P3-R18 VanDerWaalsContact CG-C 3.47Å; P3-R18 WeakPolarHBondContact CG-O 3.31Å; I7-R18 WeakPolarHBondContact O-CG 3.33Å; E8-R18 WeakPolarHBondContact O-CD 3.45Å; N10-R18 VanDerWaalsContact O-CD 3.24Å; N10-R18 WeakPolarHBondContact O-CD 3.32Å; Y13-R18 WeakPolarHBondContact O-CD 3.47Å; Y13-R18 PolarHBondContact O-NE 3.2Å; P14-R18 PolarHBondContact O-N 3.04Å; L15-R18 PolarHBondContact O-N 3.4Å; L15-R18 VanDerWaalsContact O-N 3.07Å
19Q93.1Very high93Very high92 Ų9284.8 Ų84.843%0.4342%0.421SS..SBendtrans-86.4140.5-176.1-81173.7-1400113.3L15 I17L15-Q19 HydrophobicContact CD1-CG 4.31Å; L15-Q19 HydrophobicContact CG-CG 4.26Å; L15-Q19 VanDerWaalsContact O-CG 3.28Å; L15-Q19 WeakPolarHBondContact O-CG 3.18Å; L15-Q19 PolarHBondContact O-N 3.23Å; L15-Q19 VanDerWaalsContact O-N 3.15Å; I17-Q19 VanDerWaalsContact C-N 3.31Å; I17-Q19 PolarHBondContact O-N 2.79Å
20P96.1Very high93.2Very high48 Ų4879 Ų7931%0.31239%0.391SS..  trans-67.3146.8171.530.1-35.8000111.2R2 Y22R2-P20 HydrophobicContact CG-CB 4.11Å; P20-Y22 HydrophobicContact CG-CE2 4.34Å
21R95.4Very high93.5Very high18 Ų1877.6 Ų77.67%0.06839%0.385CS..  trans-114.7126.9178.7-55.1-177-177.5-78.18.4109.3M1 Y16 L23 V43 D46M1-R21 PolarHBondContact N-O 3.14Å; M1-R21 PolarHBondContact O-N 3.02Å; Y16-R21 PolarHBondContact O-NH2 2.89Å; R21-L23 HydrophobicContact CB-CD1 4Å; R21-L23 WeakPolarHBondContact O-CD1 3.38Å; R21-V43 VanDerWaalsContact NH2-CG2 3.31Å; R21-D46 IonicContact CZ-OD2 3.66Å; R21-D46 VanDerWaalsContact CZ-OD2 3.29Å; R21-D46 IonicContact NH1-OD2 3.59Å; R21-D46 PolarHBondContact NH1-OD2 3Å; R21-D46 IonicContact NH2-OD2 3.74Å; R21-D46 PolarHBondContact NH2-OD2 3Å
22Y96.1Very high93.8Very high207 Ų20770.1 Ų70.181%0.81235%0.35SS*.  trans-102.1121.7176.6-58.5-84.9000109P20P20-Y22 HydrophobicContact CG-CE2 4.34Å
23L95Very high94.3Very high59 Ų5964.3 Ų64.331%0.30933%0.334SS..  trans-128.1152.5-173.7-53.990.4000110.6M1 R21 Y38M1-L23 HydrophobicContact CB-CD1 3.86Å; M1-L23 HydrophobicContact CG-CD1 3.71Å; M1-L23 HydrophobicContact SD-CD1 3.85Å; M1-L23 HydrophobicContact SD-CD2 4.3Å; R21-L23 HydrophobicContact CB-CD1 4Å; R21-L23 WeakPolarHBondContact O-CD1 3.38Å; L23-Y38 HydrophobicContact CD1-CE1 4.25Å; L23-Y38 HydrophobicContact CD2-CD1 3.42Å; L23-Y38 VanDerWaalsContact CD2-CD1 3.42Å; L23-Y38 HydrophobicContact CD2-CD2 4.09Å; L23-Y38 HydrophobicContact CD2-CE1 3.2Å; L23-Y38 HydrophobicContact CD2-CE2 3.85Å; L23-Y38 HydrophobicContact CD2-CG 3.88Å; L23-Y38 HydrophobicContact CG-CE1 3.94Å
24K95.9Very high94.7Very high214 Ų21469 Ų6993%0.9336%0.356SS*.  trans-127.5132.5164.9-64.2-178-178.5179.30107.6
25T96.3Very high95.2Very high77 Ų7767.6 Ų67.647%0.47235%0.346SS..  trans-156.7169.6177.5-168.70000109.6P27 A30 L97T25-P27 WeakPolarHBondContact O-CD 3.18Å; T25-A30 HydrophobicContact CG2-CB 3.51Å; T25-L97 HydrophobicContact CG2-CD2 3.75Å
26S95.8Very high95.4Very high46 Ų4663.2 Ų63.232%0.32232%0.323SS..  trans-71.2123.1178.1174.90000111.2S28 L29 A30S26-S28 VanDerWaalsContact C-N 3.31Å; S26-S28 PolarHBondContact O-N 3Å; S26-S28 PolarHBondContact OG-OG 3.42Å; S26-L29 PolarHBondContact O-N 3.28Å; S26-A30 WeakPolarHBondContact O-CB 3.44Å; S26-A30 PolarHBondContact O-N 2.9Å
27P95Very high95.7Very high55 Ų5566 Ų6636%0.35733%0.334SS..THydrogen-bonded Turntrans-61.3-35.8178.5-25.635.8000114.2T25 L97 E98 M101T25-P27 WeakPolarHBondContact O-CD 3.18Å; P27-L97 PolarHBondContact O-N 2.87Å; P27-E98 HydrophobicContact CB-CB 4.07Å; P27-E98 WeakPolarHBondContact O-CB 3.42Å; P27-E98 PolarHBondContact O-N 3.41Å; P27-M101 HydrophobicContact CB-SD 4.07Å; P27-M101 HydrophobicContact CG-SD 4.16Å
28S95.6Very high95.9Very high68 Ų6869.3 Ų69.348%0.47635%0.346SS..THydrogen-bonded Turntrans-82.8-22.6-175.555.70000113.7S26S26-S28 VanDerWaalsContact C-N 3.31Å; S26-S28 PolarHBondContact O-N 3Å; S26-S28 PolarHBondContact OG-OG 3.42Å
29L96.6Very high96Very high127 Ų12766.3 Ų66.367%0.66534%0.335SS*.THydrogen-bonded Turntrans-103-33.7-178.2-58177.3000113.1S26 H34S26-L29 PolarHBondContact O-N 3.28Å; L29-H34 PolarHBondContact O-ND1 3.45Å
30A97.3Very high96Very high5 Ų562.2 Ų62.24%0.04132%0.316CS..  trans-73.8131.317900000110T25 S26 T96 L97T25-A30 HydrophobicContact CG2-CB 3.51Å; S26-A30 WeakPolarHBondContact O-CB 3.44Å; S26-A30 PolarHBondContact O-N 2.9Å; A30-T96 CarbonylContact O-C 3.52Å; A30-T96 VanDerWaalsContact O-CA 3.31Å; A30-T96 WeakPolarHBondContact O-CA 3.47Å; A30-L97 HydrophobicContact CB-CB 4.3Å; A30-L97 PolarHBondContact O-N 3.38Å
31T97.7Very high95.8Very high22 Ų2263.7 Ų63.714%0.13532%0.32CS..BIsolated β-bridgetrans-118.2169.9177.7680000110.5A33 H34 L35 G93 T95 T96T31-A33 PolarHBondContact O-N 3.29Å; T31-A33 PolarHBondContact OG1-N 2.88Å; T31-H34 PolarHBondContact N-ND1 3.4Å; T31-H34 VanDerWaalsContact N-ND1 3.16Å; T31-H34 WeakPolarHBondContact O-CB 3.18Å; T31-H34 PolarHBondContact O-N 2.97Å; T31-H34 PolarHBondContact OG1-N 3.29Å; T31-H34 PolarHBondContact OG1-ND1 2.96Å; T31-L35 WeakPolarHBondContact O-CG 3.42Å; T31-L35 PolarHBondContact O-N 3.04Å; T31-G93 WeakPolarHBondContact CB-O 3.28Å; T31-G93 PolarHBondContact OG1-O 3.22Å; T31-T95 CarbonylContact C-O 3.45Å; T31-T95 WeakPolarHBondContact CA-O 3.38Å; T31-T95 WeakPolarHBondContact CB-O 3.41Å; T31-T96 HydrophobicContact CG2-CG2 4.33Å
32V97.2Very high95.6Very high11 Ų1167.9 Ų67.97%0.06734%0.335CS..Hα-helixtrans-50.4-45.1171.1176.60000110.9H34 L35 T36 L78 I90 G92 T95 I100V32-H34 VanDerWaalsContact C-N 3.33Å; V32-H34 PolarHBondContact O-N 2.84Å; V32-L35 PolarHBondContact O-N 2.8Å; V32-L35 VanDerWaalsContact O-N 3.12Å; V32-T36 HydrophobicContact CG1-CG2 4.07Å; V32-T36 WeakPolarHBondContact O-CG2 3.35Å; V32-T36 PolarHBondContact O-N 3.38Å; V32-T36 PolarHBondContact O-OG1 3.33Å; V32-L78 HydrophobicContact CB-CD2 4.46Å; V32-L78 HydrophobicContact CG1-CB 4.19Å; V32-L78 HydrophobicContact CG1-CD2 4.14Å; V32-L78 HydrophobicContact CG2-CD2 4.11Å; V32-I90 HydrophobicContact CG2-CB 4.48Å; V32-I90 HydrophobicContact CG2-CG2 3.6Å; V32-G92 WeakPolarHBondContact CB-O 3.23Å; V32-T95 HydrophobicContact CG2-CG2 4.47Å; V32-T95 PolarHBondContact N-O 3.15Å; V32-I100 HydrophobicContact CG2-CD1 3.84Å
33A97.2Very high95.3Very high45 Ų4558.4 Ų58.437%0.37230%0.299SS..Hα-helixtrans-60.6-39.517800000113T31 T36 R37 G93T31-A33 PolarHBondContact O-N 3.29Å; T31-A33 PolarHBondContact OG1-N 2.88Å; A33-T36 PolarHBondContact O-OG1 3.41Å; A33-R37 WeakPolarHBondContact O-CB 3.46Å; A33-R37 PolarHBondContact O-N 2.82Å; A33-G93 VanDerWaalsContact CB-O 3.25Å; A33-G93 WeakPolarHBondContact CB-O 3.08Å; A33-G93 PolarHBondContact N-O 3.48Å
34H97.3Very high94.9Very high109 Ų10957 Ų5751%0.50529%0.291SS..Hα-helixtrans-65.3-41.8174.5-65114.7000111.8L29 T31 V32 Y38L29-H34 PolarHBondContact O-ND1 3.45Å; T31-H34 PolarHBondContact N-ND1 3.4Å; T31-H34 VanDerWaalsContact N-ND1 3.16Å; T31-H34 WeakPolarHBondContact O-CB 3.18Å; T31-H34 PolarHBondContact O-N 2.97Å; T31-H34 PolarHBondContact OG1-N 3.29Å; T31-H34 PolarHBondContact OG1-ND1 2.96Å; V32-H34 VanDerWaalsContact C-N 3.33Å; V32-H34 PolarHBondContact O-N 2.84Å; H34-Y38 WeakPolarHBondContact O-CB 3.36Å; H34-Y38 PolarHBondContact O-N 3.16Å
35L97.2Very high94.5Very high11 Ų1151.9 Ų51.96%0.05827%0.273CS..Hα-helixtrans-69.3-42.8-179-65174.4000112.1M1 T31 V32 Y38 V39 L78 L97 L113M1-L35 HydrophobicContact CE-CB 4.41Å; M1-L35 HydrophobicContact SD-CB 4.39Å; M1-L35 HydrophobicContact SD-CD2 4.19Å; T31-L35 WeakPolarHBondContact O-CG 3.42Å; T31-L35 PolarHBondContact O-N 3.04Å; V32-L35 PolarHBondContact O-N 2.8Å; V32-L35 VanDerWaalsContact O-N 3.12Å; L35-Y38 WeakPolarHBondContact O-CB 3.36Å; L35-Y38 PolarHBondContact O-N 3.47Å; L35-V39 WeakPolarHBondContact O-CG2 3.4Å; L35-V39 PolarHBondContact O-N 3.48Å; L35-V39 VanDerWaalsContact O-N 3.09Å; L35-L78 HydrophobicContact CB-CD2 4.38Å; L35-L78 HydrophobicContact CD1-CD2 3.88Å; L35-L97 HydrophobicContact CD1-CD1 4.48Å; L35-L113 HydrophobicContact CD1-CD1 4.07Å
36T95.9Very high94.2Very high8 Ų849.5 Ų49.55%0.04926%0.258CS..Hα-helixtrans-67.4-41.5177.757.90000111.2V32 A33 Y38 V39 V40 A73 C76 L78V32-T36 HydrophobicContact CG1-CG2 4.07Å; V32-T36 WeakPolarHBondContact O-CG2 3.35Å; V32-T36 PolarHBondContact O-N 3.38Å; V32-T36 PolarHBondContact O-OG1 3.33Å; A33-T36 PolarHBondContact O-OG1 3.41Å; T36-Y38 PolarHBondContact O-N 3.36Å; T36-V39 PolarHBondContact O-N 2.95Å; T36-V40 WeakPolarHBondContact O-CG2 3.42Å; T36-V40 PolarHBondContact O-N 2.57Å; T36-V40 VanDerWaalsContact O-N 3.12Å; T36-A73 WeakPolarHBondContact CB-O 3.39Å; T36-A73 PolarHBondContact OG1-O 2.86Å; T36-C76 HydrophobicContact CG2-CB 4.23Å; T36-C76 VanDerWaalsContact CG2-O 3.29Å; T36-C76 WeakPolarHBondContact CG2-O 3.35Å; T36-L78 HydrophobicContact CG2-CB 4.31Å
37R95.1Very high93.6Very high99 Ų9947.4 Ų47.437%0.37424%0.243SC..Hα-helixtrans-58.4-46171.9-177.3-178.1-174.4128.312.5112.1A33 V39 V40 M41 I69 E70 A73A33-R37 WeakPolarHBondContact O-CB 3.46Å; A33-R37 PolarHBondContact O-N 2.82Å; R37-V39 VanDerWaalsContact C-N 3.32Å; R37-V39 PolarHBondContact O-N 3.39Å; R37-V40 PolarHBondContact O-N 3.21Å; R37-M41 HydrophobicContact CG-CG 4.34Å; R37-M41 HydrophobicContact CG-SD 3.89Å; R37-M41 WeakPolarHBondContact O-CB 3.22Å; R37-M41 VanDerWaalsContact O-CG 3.32Å; R37-M41 WeakPolarHBondContact O-CG 3.21Å; R37-M41 PolarHBondContact O-N 3.25Å; R37-I69 HydrophobicContact CG-CG2 4.19Å; R37-E70 IonicContact CZ-OE1 3.86Å; R37-E70 IonicContact CZ-OE2 3.32Å; R37-E70 IonicContact NE-OE1 2.96Å; R37-E70 VanDerWaalsContact NH1-CD 3.29Å; R37-E70 IonicContact NH1-OE1 3.5Å; R37-E70 PolarHBondContact NH1-OE1 2.85Å; R37-E70 IonicContact NH1-OE2 3.85Å; R37-E70 PolarHBondContact NH1-OE2 3.48Å; R37-E70 IonicContact NH2-OE1 3.17Å; R37-E70 PolarHBondContact NH2-OE1 3.4Å; R37-A73 HydrophobicContact CB-CB 4.14Å
38Y96Very high93Very high72 Ų7247.2 Ų47.228%0.28224%0.239SC..Hα-helixtrans-55.8-46.9175.6165.3-87.2000111.7L23 H34 L35 T36 V40 M41 R42L23-Y38 HydrophobicContact CD1-CE1 4.25Å; L23-Y38 HydrophobicContact CD2-CD1 3.42Å; L23-Y38 VanDerWaalsContact CD2-CD1 3.42Å; L23-Y38 HydrophobicContact CD2-CD2 4.09Å; L23-Y38 HydrophobicContact CD2-CE1 3.2Å; L23-Y38 HydrophobicContact CD2-CE2 3.85Å; L23-Y38 HydrophobicContact CD2-CG 3.88Å; L23-Y38 HydrophobicContact CG-CE1 3.94Å; H34-Y38 WeakPolarHBondContact O-CB 3.36Å; H34-Y38 PolarHBondContact O-N 3.16Å; L35-Y38 WeakPolarHBondContact O-CB 3.36Å; L35-Y38 PolarHBondContact O-N 3.47Å; T36-Y38 PolarHBondContact O-N 3.36Å; Y38-V40 PolarHBondContact O-N 2.77Å; Y38-M41 PolarHBondContact O-N 2.97Å; Y38-R42 HydrophobicContact CE1-CB 4.31Å; Y38-R42 VanDerWaalsContact O-CB 3.26Å; Y38-R42 WeakPolarHBondContact O-CB 3.29Å; Y38-R42 PolarHBondContact O-N 2.9Å
39V94.5Very high92.6Very high0 Ų052 Ų520%025%0.251CS..Hα-helixtrans-59.2-48.9-179.1168.60000110.6M1 L35 T36 R37 R42 V43 F115 L117M1-V39 HydrophobicContact CE-CG2 3.35Å; M1-V39 HydrophobicContact SD-CG2 4.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.4Å; L35-V39 PolarHBondContact O-N 3.48Å; L35-V39 VanDerWaalsContact O-N 3.09Å; T36-V39 PolarHBondContact O-N 2.95Å; R37-V39 VanDerWaalsContact C-N 3.32Å; R37-V39 PolarHBondContact O-N 3.39Å; V39-R42 PolarHBondContact O-N 2.89Å; V39-V43 WeakPolarHBondContact O-CG2 3.17Å; V39-V43 PolarHBondContact O-N 3.5Å; V39-F115 HydrophobicContact CG1-CB 4.28Å; V39-F115 HydrophobicContact CG1-CD1 4.3Å; V39-F115 HydrophobicContact CG1-CD2 3.46Å; V39-F115 VanDerWaalsContact CG1-CD2 3.46Å; V39-F115 HydrophobicContact CG1-CE2 3.79Å; V39-F115 HydrophobicContact CG1-CG 3.76Å; V39-F115 HydrophobicContact CG1-CZ 4.33Å; V39-F115 HydrophobicContact CG2-CB 4.14Å; V39-F115 HydrophobicContact CG2-CD1 4.06Å; V39-F115 HydrophobicContact CG2-CG 4Å; V39-L117 HydrophobicContact CG1-CD1 4.21Å; V39-L117 HydrophobicContact CG1-CD2 4.3Å; V39-L117 HydrophobicContact CG1-CG 4.24Å
40V92.3Very high91.9Very high5 Ų548.9 Ų48.93%0.0324%0.244CC..Hα-helixtrans-60-51.3179.2170.60000110.9T36 R37 Y38 R42 V43 Q44 I69 K72 A73 C76 L117T36-V40 WeakPolarHBondContact O-CG2 3.42Å; T36-V40 PolarHBondContact O-N 2.57Å; T36-V40 VanDerWaalsContact O-N 3.12Å; R37-V40 PolarHBondContact O-N 3.21Å; Y38-V40 PolarHBondContact O-N 2.77Å; V40-R42 VanDerWaalsContact C-N 3.26Å; V40-R42 PolarHBondContact O-N 2.89Å; V40-V43 PolarHBondContact O-N 3.1Å; V40-Q44 PolarHBondContact O-N 3.41Å; V40-I69 HydrophobicContact CG1-CB 4.49Å; V40-I69 HydrophobicContact CG1-CG2 4.07Å; V40-K72 HydrophobicContact CB-CB 4.42Å; V40-K72 HydrophobicContact CG1-CB 3.58Å; V40-K72 HydrophobicContact CG1-CD 3.85Å; V40-K72 HydrophobicContact CG1-CG 4.37Å; V40-K72 HydrophobicContact CG2-CB 3.9Å; V40-A73 HydrophobicContact CG2-CB 4.31Å; V40-C76 HydrophobicContact CG2-CB 4.21Å; V40-L117 HydrophobicContact CG2-CD2 3.75Å
41M91.8Very high91.2Very high80 Ų8052.4 Ų52.439%0.39426%0.257SS..Hα-helixtrans-59.6-39.8179.2-72.1-179.565.600111.7R37 Y38 Q44 L45 I69R37-M41 HydrophobicContact CG-CG 4.34Å; R37-M41 HydrophobicContact CG-SD 3.89Å; R37-M41 WeakPolarHBondContact O-CB 3.22Å; R37-M41 VanDerWaalsContact O-CG 3.32Å; R37-M41 WeakPolarHBondContact O-CG 3.21Å; R37-M41 PolarHBondContact O-N 3.25Å; Y38-M41 PolarHBondContact O-N 2.97Å; M41-Q44 WeakPolarHBondContact O-CB 3.43Å; M41-Q44 PolarHBondContact O-N 3.4Å; M41-L45 WeakPolarHBondContact O-CG 3.49Å; M41-L45 PolarHBondContact O-N 2.86Å; M41-I69 HydrophobicContact CG-CD1 4.16Å; M41-I69 HydrophobicContact CG-CG2 3.66Å; M41-I69 HydrophobicContact SD-CG2 4.46Å
42R92.9Very high90.2Very high105 Ų10559.5 Ų59.540%0.39628%0.281SS..Hα-helixtrans-72.6-39.5-178-175.158.3-172.9-103.5-0.5112Y38 V39 V40 Q44 L45 D46Y38-R42 HydrophobicContact CE1-CB 4.31Å; Y38-R42 VanDerWaalsContact O-CB 3.26Å; Y38-R42 WeakPolarHBondContact O-CB 3.29Å; Y38-R42 PolarHBondContact O-N 2.9Å; V39-R42 PolarHBondContact O-N 2.89Å; V40-R42 VanDerWaalsContact C-N 3.26Å; V40-R42 PolarHBondContact O-N 2.89Å; R42-Q44 VanDerWaalsContact C-N 3.3Å; R42-L45 PolarHBondContact O-N 3.07Å; R42-D46 IonicContact CZ-OD1 3.13Å; R42-D46 IonicContact NE-OD1 2.72Å; R42-D46 PolarHBondContact NE-OD1 3.38Å; R42-D46 IonicContact NE-OD2 2.96Å; R42-D46 IonicContact NH2-OD1 2.85Å; R42-D46 WeakPolarHBondContact O-CB 3.27Å; R42-D46 PolarHBondContact O-N 3.47Å
43V89.3Confident89Confident8 Ų866.4 Ų66.45%0.04832%0.318CS..Hα-helixtrans-62.2-40.4173.1168.30000110.8Y16 I17 R21 V39 V40 D46 T47 L117Y16-V43 HydrophobicContact CE2-CG1 4.28Å; I17-V43 HydrophobicContact CD1-CG1 4.42Å; I17-V43 HydrophobicContact CG1-CG1 4.39Å; R21-V43 VanDerWaalsContact NH2-CG2 3.31Å; V39-V43 WeakPolarHBondContact O-CG2 3.17Å; V39-V43 PolarHBondContact O-N 3.5Å; V40-V43 PolarHBondContact O-N 3.1Å; V43-D46 PolarHBondContact O-N 3.25Å; V43-T47 WeakPolarHBondContact O-CB 3.49Å; V43-T47 PolarHBondContact O-N 3.23Å; V43-T47 PolarHBondContact O-OG1 3.37Å; V43-L117 HydrophobicContact CB-CD1 4.21Å; V43-L117 HydrophobicContact CG1-CD1 4.15Å; V43-L117 HydrophobicContact CG2-CD1 3.78Å
44Q86.1Confident87.9Confident29 Ų2966.1 Ų66.114%0.13631%0.313CS..Hα-helixtrans-54.9-55.5172.5-175.169.24900111.4V40 M41 R42 D46 T47 D48 L64V40-Q44 PolarHBondContact O-N 3.41Å; M41-Q44 WeakPolarHBondContact O-CB 3.43Å; M41-Q44 PolarHBondContact O-N 3.4Å; R42-Q44 VanDerWaalsContact C-N 3.3Å; Q44-D46 VanDerWaalsContact C-N 3.34Å; Q44-D46 PolarHBondContact O-N 2.83Å; Q44-T47 WeakPolarHBondContact O-CA 3.33Å; Q44-T47 WeakPolarHBondContact O-CB 3.5Å; Q44-T47 PolarHBondContact O-N 3.28Å; Q44-D48 PolarHBondContact NE2-OD1 3.2Å; Q44-D48 PolarHBondContact O-N 2.6Å; Q44-L64 VanDerWaalsContact NE2-CB 3.29Å; Q44-L64 VanDerWaalsContact OE1-CB 3.26Å; Q44-L64 VanDerWaalsContact OE1-CD2 3.27Å
45L87.9Confident86.7Confident107 Ų10769.2 Ų69.256%0.5633%0.333SS*.Hα-helixtrans-61-40.7-178.8-70171.3000112.9M41 R42 T47 K49M41-L45 WeakPolarHBondContact O-CG 3.49Å; M41-L45 PolarHBondContact O-N 2.86Å; R42-L45 PolarHBondContact O-N 3.07Å; L45-T47 VanDerWaalsContact C-N 3.26Å; L45-T47 PolarHBondContact O-N 3.06Å; L45-K49 WeakPolarHBondContact O-CB 3.39Å; L45-K49 PolarHBondContact O-N 2.84Å
46D89.3Confident85.5Confident27 Ų2773 Ų7314%0.14435%0.354CS..Hα-helixtrans-65.9-33.8176.8-65.3-26.4000110.7Y16 R21 R42 V43 Q44 A50Y16-D46 HydrophobicContact CD2-CB 3.8Å; Y16-D46 HydrophobicContact CG-CB 3.98Å; R21-D46 IonicContact CZ-OD2 3.66Å; R21-D46 VanDerWaalsContact CZ-OD2 3.29Å; R21-D46 IonicContact NH1-OD2 3.59Å; R21-D46 PolarHBondContact NH1-OD2 3Å; R21-D46 IonicContact NH2-OD2 3.74Å; R21-D46 PolarHBondContact NH2-OD2 3Å; R42-D46 IonicContact CZ-OD1 3.13Å; R42-D46 IonicContact NE-OD1 2.72Å; R42-D46 PolarHBondContact NE-OD1 3.38Å; R42-D46 IonicContact NE-OD2 2.96Å; R42-D46 IonicContact NH2-OD1 2.85Å; R42-D46 WeakPolarHBondContact O-CB 3.27Å; R42-D46 PolarHBondContact O-N 3.47Å; V43-D46 PolarHBondContact O-N 3.25Å; Q44-D46 VanDerWaalsContact C-N 3.34Å; Q44-D46 PolarHBondContact O-N 2.83Å; D46-A50 WeakPolarHBondContact O-CB 3.04Å; D46-A50 PolarHBondContact O-N 3.46Å
47T83.3Confident84.2Confident3 Ų376.6 Ų76.62%0.01837%0.37CS..Hα-helixtrans-70.7-49.5176.1-50.30000111.6Y16 V43 Q44 L45 K49 A50 Y51 L64Y16-T47 VanDerWaalsContact CE2-OG1 3.23Å; Y16-T47 WeakPolarHBondContact CE2-OG1 3.25Å; Y16-T47 PolarHBondContact OH-OG1 3.09Å; V43-T47 WeakPolarHBondContact O-CB 3.49Å; V43-T47 PolarHBondContact O-N 3.23Å; V43-T47 PolarHBondContact O-OG1 3.37Å; Q44-T47 WeakPolarHBondContact O-CA 3.33Å; Q44-T47 WeakPolarHBondContact O-CB 3.5Å; Q44-T47 PolarHBondContact O-N 3.28Å; L45-T47 VanDerWaalsContact C-N 3.26Å; L45-T47 PolarHBondContact O-N 3.06Å; T47-K49 PolarHBondContact O-N 3.2Å; T47-A50 WeakPolarHBondContact O-CB 3.41Å; T47-A50 PolarHBondContact O-N 3.19Å; T47-Y51 HydrophobicContact CG2-CD2 3.53Å; T47-Y51 HydrophobicContact CG2-CE2 3.55Å; T47-Y51 VanDerWaalsContact O-CD2 3.29Å; T47-Y51 WeakPolarHBondContact O-CD2 2.91Å; T47-Y51 PolarHBondContact O-N 2.85Å; T47-L64 HydrophobicContact CG2-CD1 3.29Å
48D82.4Confident82.7Confident51 Ų5177 Ų7727%0.27338%0.379SS..Hα-helixtrans-57.8-37.7177.9-59.8-17.3000110.6Q44 R52Q44-D48 PolarHBondContact NE2-OD1 3.2Å; Q44-D48 PolarHBondContact O-N 2.6Å; D48-R52 WeakPolarHBondContact O-CA 3.15Å; D48-R52 WeakPolarHBondContact O-CB 3.42Å; D48-R52 PolarHBondContact O-N 3.12Å
49K86.6Confident81.4Confident168 Ų16877 Ų7773%0.7338%0.381SS*.Hα-helixtrans-66.4-39.6174-174.9179.5178.3-176.70112.6L45 T47 Y51L45-K49 WeakPolarHBondContact O-CB 3.39Å; L45-K49 PolarHBondContact O-N 2.84Å; T47-K49 PolarHBondContact O-N 3.2Å; K49-Y51 VanDerWaalsContact C-N 3.33Å
50A83.5Confident80Confident62 Ų6277.2 Ų77.251%0.51238%0.383SS..Hα-helixtrans-68.1-32.7-179.700000112.7Y16 D46 T47Y16-A50 HydrophobicContact CD1-CB 4.46Å; Y16-A50 HydrophobicContact CE1-CB 4.19Å; D46-A50 WeakPolarHBondContact O-CB 3.04Å; D46-A50 PolarHBondContact O-N 3.46Å; T47-A50 WeakPolarHBondContact O-CB 3.41Å; T47-A50 PolarHBondContact O-N 3.19Å
51Y81.7Confident78.7Confident78 Ų7879.2 Ų79.231%0.30640%0.398SS..Hα-helixtrans-101.31.3-178.5-67.1-76.3000114.2T47 K49 D53 S54 D56 Q57 A60T47-Y51 HydrophobicContact CG2-CD2 3.53Å; T47-Y51 HydrophobicContact CG2-CE2 3.55Å; T47-Y51 VanDerWaalsContact O-CD2 3.29Å; T47-Y51 WeakPolarHBondContact O-CD2 2.91Å; T47-Y51 PolarHBondContact O-N 2.85Å; K49-Y51 VanDerWaalsContact C-N 3.33Å; Y51-D53 PolarHBondContact O-N 2.72Å; Y51-S54 VanDerWaalsContact CA-OG 3.32Å; Y51-S54 WeakPolarHBondContact CA-OG 3.1Å; Y51-S54 WeakPolarHBondContact CB-OG 3.47Å; Y51-S54 WeakPolarHBondContact CD1-OG 3.19Å; Y51-S54 PolarHBondContact O-N 2.95Å; Y51-S54 PolarHBondContact O-OG 3.44Å; Y51-D56 HydrophobicContact CD1-CB 4Å; Y51-D56 HydrophobicContact CE1-CB 4.32Å; Y51-Q57 VanDerWaalsContact O-CB 3.24Å; Y51-Q57 WeakPolarHBondContact O-CB 3.48Å; Y51-Q57 WeakPolarHBondContact O-CG 3.43Å; Y51-A60 HydrophobicContact CD1-CB 4.29Å; Y51-A60 HydrophobicContact CD2-CB 3.52Å; Y51-A60 HydrophobicContact CE2-CB 4.05Å; Y51-A60 HydrophobicContact CG-CB 3.67Å
52R77.3Confident77.4Confident172 Ų17282.6 Ų82.665%0.64941%0.406SS*.THydrogen-bonded Turntrans-52.8-33.6-173.7-174.9177.6171.1-172-3.1114.1D48 Q57D48-R52 WeakPolarHBondContact O-CA 3.15Å; D48-R52 WeakPolarHBondContact O-CB 3.42Å; D48-R52 PolarHBondContact O-N 3.12Å; R52-Q57 PolarHBondContact O-OE1 2.63Å
53D71.4Confident75.9Confident156 Ų15683.9 Ų83.983%0.83441%0.411SS*.THydrogen-bonded Turntrans-113.917.5-176.5-53.9-39.3000112.3Y51Y51-D53 PolarHBondContact O-N 2.72Å
54S74.3Confident74.6Confident38 Ų3884.6 Ų84.627%0.26641%0.414SS..SBendtrans-106.2146.4177.568.20000110.8Y51 D56 Q57Y51-S54 VanDerWaalsContact CA-OG 3.32Å; Y51-S54 WeakPolarHBondContact CA-OG 3.1Å; Y51-S54 WeakPolarHBondContact CB-OG 3.47Å; Y51-S54 WeakPolarHBondContact CD1-OG 3.19Å; Y51-S54 PolarHBondContact O-N 2.95Å; Y51-S54 PolarHBondContact O-OG 3.44Å; S54-D56 PolarHBondContact O-N 2.95Å; S54-Q57 WeakPolarHBondContact O-CB 3.26Å; S54-Q57 PolarHBondContact O-N 2.89Å; S54-Q57 PolarHBondContact OG-N 2.87Å
55D72.5Confident73.5Confident175 Ų17585.7 Ų85.794%0.93643%0.433SS*.THydrogen-bonded Turntrans-57.9-20.6170.9-65.7-30.3000112.1Q57D55-Q57 VanDerWaalsContact C-N 3.27Å; D55-Q57 PolarHBondContact O-N 3.16Å
56D71.8Confident72.4Confident91 Ų9184.6 Ų84.649%0.48744%0.439SS..THydrogen-bonded Turntrans-76.1-1.9175.6-67.4-31.4000114.3Y51 S54 L58 E59 A60Y51-D56 HydrophobicContact CD1-CB 4Å; Y51-D56 HydrophobicContact CE1-CB 4.32Å; S54-D56 PolarHBondContact O-N 2.95Å; D56-L58 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 3.21Å; D56-E59 PolarHBondContact O-N 2.82Å; D56-E59 VanDerWaalsContact O-N 3.15Å; D56-A60 WeakPolarHBondContact O-CB 3.49Å; D56-A60 PolarHBondContact O-N 3.07Å
57Q67.8Low71.6Confident82 Ų8285.5 Ų85.538%0.38345%0.446SS..Hα-helixtrans-56.5-45.5-174.8-167-173.810.300113Y51 R52 S54 D55 E59 A60 S61Y51-Q57 VanDerWaalsContact O-CB 3.24Å; Y51-Q57 WeakPolarHBondContact O-CB 3.48Å; Y51-Q57 WeakPolarHBondContact O-CG 3.43Å; R52-Q57 PolarHBondContact O-OE1 2.63Å; S54-Q57 WeakPolarHBondContact O-CB 3.26Å; S54-Q57 PolarHBondContact O-N 2.89Å; S54-Q57 PolarHBondContact OG-N 2.87Å; D55-Q57 VanDerWaalsContact C-N 3.27Å; D55-Q57 PolarHBondContact O-N 3.16Å; Q57-E59 VanDerWaalsContact C-N 3.26Å; Q57-E59 PolarHBondContact O-N 3.4Å; Q57-A60 PolarHBondContact O-N 2.92Å; Q57-S61 VanDerWaalsContact O-CB 3.3Å; Q57-S61 WeakPolarHBondContact O-CB 3.33Å; Q57-S61 PolarHBondContact O-N 2.87Å; Q57-S61 PolarHBondContact O-OG 2.76Å
58L64.3Low71.6Confident109 Ų10987.6 Ų87.657%0.57147%0.468SS*.Hα-helixtrans-65.7-36.8-177.7-178.461.8000111.1D56 R62D56-L58 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 3.21Å; L58-R62 WeakPolarHBondContact O-CB 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.47Å; L58-R62 PolarHBondContact O-N 2.82Å
59E68.4Low71.8Confident70 Ų7088.2 Ų88.233%0.32747%0.47SS..Hα-helixtrans-75.7-41.8-179.6-178.360.1-165.400110.9D56 Q57 S61 R62 R63D56-E59 PolarHBondContact O-N 2.82Å; D56-E59 VanDerWaalsContact O-N 3.15Å; Q57-E59 VanDerWaalsContact C-N 3.26Å; Q57-E59 PolarHBondContact O-N 3.4Å; E59-S61 PolarHBondContact O-N 3.43Å; E59-R62 PolarHBondContact O-N 2.71Å; E59-R63 VanDerWaalsContact CG-NE 3.29Å; E59-R63 VanDerWaalsContact O-CB 3.26Å; E59-R63 WeakPolarHBondContact O-CB 3.44Å; E59-R63 WeakPolarHBondContact O-CD 3.24Å; E59-R63 WeakPolarHBondContact O-CG 3.32Å; E59-R63 PolarHBondContact O-N 2.77Å; E59-R63 IonicContact OE1-CZ 3.99Å; E59-R63 IonicContact OE1-NE 3.4Å; E59-R63 PolarHBondContact OE1-NE 3.09Å; E59-R63 IonicContact OE1-NH2 3.91Å; E59-R63 PolarHBondContact OE1-NH2 3.46Å
60A65.4Low71.9Confident6 Ų684.2 Ų84.25%0.0545%0.454CS..Hα-helixtrans-59.7-45170.800000111.9Y51 D56 Q57 R63 L64Y51-A60 HydrophobicContact CD1-CB 4.29Å; Y51-A60 HydrophobicContact CD2-CB 3.52Å; Y51-A60 HydrophobicContact CE2-CB 4.05Å; Y51-A60 HydrophobicContact CG-CB 3.67Å; D56-A60 WeakPolarHBondContact O-CB 3.49Å; D56-A60 PolarHBondContact O-N 3.07Å; Q57-A60 PolarHBondContact O-N 2.92Å; A60-R63 PolarHBondContact O-N 2.75Å; A60-L64 WeakPolarHBondContact O-CB 3.49Å; A60-L64 WeakPolarHBondContact O-CD1 3.49Å; A60-L64 PolarHBondContact O-N 3.11Å
61S64.3Low72.1Confident47 Ų4784.7 Ų84.733%0.32945%0.446SS..Hα-helixtrans-64.4-41178.3-58.20000112Q57 E59 G65Q57-S61 VanDerWaalsContact O-CB 3.3Å; Q57-S61 WeakPolarHBondContact O-CB 3.33Å; Q57-S61 PolarHBondContact O-N 2.87Å; Q57-S61 PolarHBondContact O-OG 2.76Å; E59-S61 PolarHBondContact O-N 3.43Å; S61-G65 WeakPolarHBondContact O-CA 3.45Å; S61-G65 PolarHBondContact O-N 2.86Å
62R64.7Low72.5Confident151 Ų15181.4 Ų81.457%0.5743%0.433SS*.Hα-helixtrans-66-46.5174.3-82.4-167.3-91.9-153.3-0.1112.1L58 E59 L64 G65 A66L58-R62 WeakPolarHBondContact O-CB 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.47Å; L58-R62 PolarHBondContact O-N 2.82Å; E59-R62 PolarHBondContact O-N 2.71Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 3.46Å; R62-G65 PolarHBondContact O-N 3.46Å; R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.12Å
63R62.2Low73.2Confident132 Ų13273.6 Ų73.650%0.49841%0.406SS..Hα-helixtrans-59.5-43.8-179.6-75.8168.7-178.9166.15.9112.3E59 A60E59-R63 VanDerWaalsContact CG-NE 3.29Å; E59-R63 VanDerWaalsContact O-CB 3.26Å; E59-R63 WeakPolarHBondContact O-CB 3.44Å; E59-R63 WeakPolarHBondContact O-CD 3.24Å; E59-R63 WeakPolarHBondContact O-CG 3.32Å; E59-R63 PolarHBondContact O-N 2.77Å; E59-R63 IonicContact OE1-CZ 3.99Å; E59-R63 IonicContact OE1-NE 3.4Å; E59-R63 PolarHBondContact OE1-NE 3.09Å; E59-R63 IonicContact OE1-NH2 3.91Å; E59-R63 PolarHBondContact OE1-NH2 3.46Å; A60-R63 PolarHBondContact O-N 2.75Å
64L62.1Low74.2Confident23 Ų2374.3 Ų74.312%0.1240%0.397CS..Hα-helixtrans-81.8-32.8177.4-86.4123.7000112.5Q44 T47 A60 R62 A66 K72Q44-L64 VanDerWaalsContact NE2-CB 3.29Å; Q44-L64 VanDerWaalsContact OE1-CB 3.26Å; Q44-L64 VanDerWaalsContact OE1-CD2 3.27Å; T47-L64 HydrophobicContact CG2-CD1 3.29Å; A60-L64 WeakPolarHBondContact O-CB 3.49Å; A60-L64 WeakPolarHBondContact O-CD1 3.49Å; A60-L64 PolarHBondContact O-N 3.11Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 3.46Å; L64-A66 VanDerWaalsContact C-N 3.3Å; L64-A66 PolarHBondContact O-N 3.33Å; L64-K72 VanDerWaalsContact O-CE 3.27Å; L64-K72 WeakPolarHBondContact O-CE 3.44Å; L64-K72 PolarHBondContact O-NZ 2.93Å
65G62.7Low75.1Confident52 Ų5276.8 Ų76.854%0.53640%0.404SS..Hα-helixtrans-72.1-20177.700000114.5S61 R62 V67S61-G65 WeakPolarHBondContact O-CA 3.45Å; S61-G65 PolarHBondContact O-N 2.86Å; R62-G65 PolarHBondContact O-N 3.46Å; G65-V67 PolarHBondContact O-N 3.23Å
66A64.8Low76.1Confident83 Ų8368.8 Ų68.869%0.68636%0.362SS*.THydrogen-bonded Turntrans-57.2-33.4-176.200000113.3R62 L64R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.12Å; L64-A66 VanDerWaalsContact C-N 3.3Å; L64-A66 PolarHBondContact O-N 3.33Å
67V71.9Confident77.3Confident47 Ų4767.8 Ų67.829%0.28535%0.354SS..SBendtrans-113.7119.1176.1-174.80000108.4G65 E71 K72 F121G65-V67 PolarHBondContact O-N 3.23Å; V67-E71 HydrophobicContact CG1-CB 3.62Å; V67-E71 HydrophobicContact CG1-CG 3.37Å; V67-K72 HydrophobicContact CB-CG 4.04Å; V67-K72 HydrophobicContact CG1-CG 3.76Å; V67-K72 WeakPolarHBondContact O-CE 3.09Å; V67-F121 HydrophobicContact CB-CE1 4.11Å; V67-F121 HydrophobicContact CG1-CE1 3.96Å; V67-F121 HydrophobicContact CG1-CZ 4.22Å; V67-F121 HydrophobicContact CG2-CE1 4.12Å
68G82.9Confident78.7Confident46 Ų4664 Ų6447%0.47434%0.336SS..  trans-55.8149.2179.900000112.4E70 E71 K72G68-E70 PolarHBondContact O-N 3.4Å; G68-E70 VanDerWaalsContact O-N 3.11Å; G68-E71 PolarHBondContact O-N 3.36Å; G68-K72 PolarHBondContact O-N 3Å; G68-K72 VanDerWaalsContact O-N 3.09Å
69I86.7Confident80.3Confident64 Ų6459.6 Ų59.633%0.32831%0.312SS..Hα-helixtrans-50.9-40-178.7-67.8165.3000111.5R37 V40 M41 K72 A73R37-I69 HydrophobicContact CG-CG2 4.19Å; V40-I69 HydrophobicContact CG1-CB 4.49Å; V40-I69 HydrophobicContact CG1-CG2 4.07Å; M41-I69 HydrophobicContact CG-CD1 4.16Å; M41-I69 HydrophobicContact CG-CG2 3.66Å; M41-I69 HydrophobicContact SD-CG2 4.46Å; I69-K72 PolarHBondContact O-N 3.3Å; I69-A73 WeakPolarHBondContact O-CB 3.27Å; I69-A73 PolarHBondContact O-N 3.14Å
70E89.5Confident81.5Confident85 Ų8556.2 Ų56.240%0.39730%0.297SS..Hα-helixtrans-63.4-43.1179.7-55.3-57.9163.600112.7R37 G68 A73 R74R37-E70 IonicContact CZ-OE1 3.86Å; R37-E70 IonicContact CZ-OE2 3.32Å; R37-E70 IonicContact NE-OE1 2.96Å; R37-E70 VanDerWaalsContact NH1-CD 3.29Å; R37-E70 IonicContact NH1-OE1 3.5Å; R37-E70 PolarHBondContact NH1-OE1 2.85Å; R37-E70 IonicContact NH1-OE2 3.85Å; R37-E70 PolarHBondContact NH1-OE2 3.48Å; R37-E70 IonicContact NH2-OE1 3.17Å; R37-E70 PolarHBondContact NH2-OE1 3.4Å; G68-E70 PolarHBondContact O-N 3.4Å; G68-E70 VanDerWaalsContact O-N 3.11Å; E70-A73 PolarHBondContact O-N 3.09Å; E70-R74 WeakPolarHBondContact O-CG 3.37Å; E70-R74 PolarHBondContact O-N 3.29Å
71E88.1Confident82.7Confident71 Ų7157.6 Ų57.633%0.33230%0.303SS..Hα-helixtrans-68.7-40.8-179.517565.4171.100110.8V67 G68 A73 R74 H75V67-E71 HydrophobicContact CG1-CB 3.62Å; V67-E71 HydrophobicContact CG1-CG 3.37Å; G68-E71 PolarHBondContact O-N 3.36Å; E71-A73 VanDerWaalsContact C-N 3.32Å; E71-A73 PolarHBondContact O-N 2.94Å; E71-R74 PolarHBondContact O-N 3.03Å; E71-R74 IonicContact OE2-CZ 3.73Å; E71-R74 IonicContact OE2-NE 3.07Å; E71-R74 PolarHBondContact OE2-NE 2.95Å; E71-R74 IonicContact OE2-NH2 4Å; E71-R74 PolarHBondContact OE2-NH2 3.48Å; E71-H75 VanDerWaalsContact CD-CE1 3.49Å; E71-H75 PolarHBondContact O-N 2.91Å; E71-H75 PolarHBondContact O-ND1 2.62Å; E71-H75 IonicContact OE1-CE1 3.83Å; E71-H75 PolarHBondContact OE1-CE1 2.82Å; E71-H75 IonicContact OE1-ND1 2.71Å; E71-H75 IonicContact OE2-CE1 3.1Å; E71-H75 IonicContact OE2-ND1 3.74Å
72K88.8Confident83.7Confident10 Ų1056.2 Ų56.24%0.04330%0.295CS..Hα-helixtrans-61.7-41.7171.8-66.6-174.9176.2-178.90112.2V40 L64 V67 G68 I69 R74 H75 C76 F121V40-K72 HydrophobicContact CB-CB 4.42Å; V40-K72 HydrophobicContact CG1-CB 3.58Å; V40-K72 HydrophobicContact CG1-CD 3.85Å; V40-K72 HydrophobicContact CG1-CG 4.37Å; V40-K72 HydrophobicContact CG2-CB 3.9Å; L64-K72 VanDerWaalsContact O-CE 3.27Å; L64-K72 WeakPolarHBondContact O-CE 3.44Å; L64-K72 PolarHBondContact O-NZ 2.93Å; V67-K72 HydrophobicContact CB-CG 4.04Å; V67-K72 HydrophobicContact CG1-CG 3.76Å; V67-K72 WeakPolarHBondContact O-CE 3.09Å; G68-K72 PolarHBondContact O-N 3Å; G68-K72 VanDerWaalsContact O-N 3.09Å; I69-K72 PolarHBondContact O-N 3.3Å; K72-R74 VanDerWaalsContact C-N 3.31Å; K72-R74 PolarHBondContact O-N 3.32Å; K72-H75 PolarHBondContact O-N 2.96Å; K72-C76 PolarHBondContact O-N 3.28Å; K72-F121 HydrophobicContact CB-CD2 4.21Å; K72-F121 HydrophobicContact CB-CE2 3.81Å; K72-F121 HydrophobicContact CB-CZ 4.09Å; K72-F121 HydrophobicContact CD-CD1 4.41Å; K72-F121 HydrophobicContact CD-CG 4.42Å; K72-F121 HydrophobicContact CG-CD1 4.08Å; K72-F121 HydrophobicContact CG-CD2 4.05Å; K72-F121 HydrophobicContact CG-CE1 3.79Å; K72-F121 HydrophobicContact CG-CE2 3.78Å; K72-F121 HydrophobicContact CG-CG 4.23Å; K72-F121 HydrophobicContact CG-CZ 3.66Å
73A92.5Very high84.4Confident8 Ų852 Ų527%0.06630%0.298CS..Hα-helixtrans-67.6-31.7-178.300000112.4T36 R37 V40 I69 E70 E71 H75 C76T36-A73 WeakPolarHBondContact CB-O 3.39Å; T36-A73 PolarHBondContact OG1-O 2.86Å; R37-A73 HydrophobicContact CB-CB 4.14Å; V40-A73 HydrophobicContact CG2-CB 4.31Å; I69-A73 WeakPolarHBondContact O-CB 3.27Å; I69-A73 PolarHBondContact O-N 3.14Å; E70-A73 PolarHBondContact O-N 3.09Å; E71-A73 VanDerWaalsContact C-N 3.32Å; E71-A73 PolarHBondContact O-N 2.94Å; A73-H75 VanDerWaalsContact C-N 3.33Å; A73-C76 PolarHBondContact O-N 2.76Å
74R92Very high85.4Confident171 Ų17150.6 Ų50.665%0.64530%0.3SS*.Hα-helixtrans-64.5-35.1173.1-77.8-170.7-69.6-97.615.1113.2E70 E71 K72E70-R74 WeakPolarHBondContact O-CG 3.37Å; E70-R74 PolarHBondContact O-N 3.29Å; E71-R74 PolarHBondContact O-N 3.03Å; E71-R74 IonicContact OE2-CZ 3.73Å; E71-R74 IonicContact OE2-NE 3.07Å; E71-R74 PolarHBondContact OE2-NE 2.95Å; E71-R74 IonicContact OE2-NH2 4Å; E71-R74 PolarHBondContact OE2-NH2 3.48Å; K72-R74 VanDerWaalsContact C-N 3.31Å; K72-R74 PolarHBondContact O-N 3.32Å
75H92.8Very high86.5Confident89 Ų8954.9 Ų54.941%0.41232%0.323SS..Hα-helixtrans-92.6-6-179.4-65.589.1000113.7E71 K72 A73 E77 P118 F121E71-H75 VanDerWaalsContact CD-CE1 3.49Å; E71-H75 PolarHBondContact O-N 2.91Å; E71-H75 PolarHBondContact O-ND1 2.62Å; E71-H75 IonicContact OE1-CE1 3.83Å; E71-H75 PolarHBondContact OE1-CE1 2.82Å; E71-H75 IonicContact OE1-ND1 2.71Å; E71-H75 IonicContact OE2-CE1 3.1Å; E71-H75 IonicContact OE2-ND1 3.74Å; K72-H75 PolarHBondContact O-N 2.96Å; A73-H75 VanDerWaalsContact C-N 3.33Å; H75-E77 PolarHBondContact O-N 3.17Å; H75-P118 HydrophobicContact CB-CG 3.56Å; H75-P118 WeakPolarHBondContact O-CD 3.37Å; H75-P118 WeakPolarHBondContact O-CG 3.37Å; H75-F121 HydrophobicContact CB-CE2 4.11Å; H75-F121 HydrophobicContact CB-CZ 4.49Å
76C94.3Very high87.9Confident8 Ų858.2 Ų58.25%0.05433%0.325CS..  trans-76.5121.7174.3-179.90000109.6T36 V40 K72 A73 R116 L117T36-C76 HydrophobicContact CG2-CB 4.23Å; T36-C76 VanDerWaalsContact CG2-O 3.29Å; T36-C76 WeakPolarHBondContact CG2-O 3.35Å; V40-C76 HydrophobicContact CG2-CB 4.21Å; K72-C76 PolarHBondContact O-N 3.28Å; A73-C76 PolarHBondContact O-N 2.76Å; C76-R116 WeakPolarHBondContact CA-O 3.48Å; C76-L117 HydrophobicContact CB-CD2 3.96Å
77E96.7Very high89.4Confident69 Ų6956.5 Ų56.532%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-92.6141.6-178.1-58.6179.313900110.6H75 F79 L89 F115 R116H75-E77 PolarHBondContact O-N 3.17Å; E77-F79 HydrophobicContact CB-CD2 4.43Å; E77-F79 HydrophobicContact CB-CE2 3.49Å; E77-F79 VanDerWaalsContact CB-CE2 3.49Å; E77-F79 HydrophobicContact CB-CZ 3.81Å; E77-F79 WeakPolarHBondContact OE2-CZ 3.26Å; E77-L89 HydrophobicContact CB-CD1 3.82Å; E77-L89 HydrophobicContact CG-CD1 4.23Å; E77-F115 CarbonylContact O-C 3.38Å; E77-F115 VanDerWaalsContact O-CA 3.22Å; E77-F115 WeakPolarHBondContact O-CA 3.4Å; E77-R116 HydrophobicContact CB-CB 4.23Å; E77-R116 PolarHBondContact N-O 2.82Å; E77-R116 PolarHBondContact O-N 3.43Å; E77-R116 WeakPolarHBondContact OE2-CD 3.37Å; E77-R116 IonicContact OE2-CZ 2.84Å; E77-R116 IonicContact OE2-NE 3.97Å; E77-R116 IonicContact OE2-NH1 3.2Å; E77-R116 PolarHBondContact OE2-NH1 3.05Å
78L97.3Very high90.5Very high3 Ų356.8 Ų56.82%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-118.5135.6175.4-168.875.4000110.1M1 V32 L35 T36 I90 I100 L113 Y114M1-L78 HydrophobicContact CE-CD1 3.37Å; V32-L78 HydrophobicContact CB-CD2 4.46Å; V32-L78 HydrophobicContact CG1-CB 4.19Å; V32-L78 HydrophobicContact CG1-CD2 4.14Å; V32-L78 HydrophobicContact CG2-CD2 4.11Å; L35-L78 HydrophobicContact CB-CD2 4.38Å; L35-L78 HydrophobicContact CD1-CD2 3.88Å; T36-L78 HydrophobicContact CG2-CB 4.31Å; L78-I90 HydrophobicContact CD2-CD1 4.09Å; L78-I90 HydrophobicContact CG-CD1 4.2Å; L78-I90 PolarHBondContact O-N 3.37Å; L78-I100 HydrophobicContact CD2-CD1 4.24Å; L78-L113 HydrophobicContact CD1-CB 4.31Å; L78-L113 HydrophobicContact CD2-CD1 4.42Å; L78-Y114 CarbonylContact C-O 3.42Å; L78-Y114 WeakPolarHBondContact CA-O 3.3Å
79F97.2Very high91.1Very high16 Ų1658.4 Ų58.47%0.0730%0.303CS..EExtended strand (participates in β ladder)trans-126.1144.7-178.5-54.8-101.9000111.5E77 L87 T88 L89 L113 Y114 R116E77-F79 HydrophobicContact CB-CD2 4.43Å; E77-F79 HydrophobicContact CB-CE2 3.49Å; E77-F79 VanDerWaalsContact CB-CE2 3.49Å; E77-F79 HydrophobicContact CB-CZ 3.81Å; E77-F79 WeakPolarHBondContact OE2-CZ 3.26Å; F79-L87 HydrophobicContact CB-CB 4.18Å; F79-L87 HydrophobicContact CD1-CB 4.27Å; F79-L87 HydrophobicContact CG-CB 4.47Å; F79-T88 CarbonylContact C-O 3.56Å; F79-T88 WeakPolarHBondContact CA-O 3.45Å; F79-L89 HydrophobicContact CD1-CB 4.15Å; F79-L89 HydrophobicContact CD1-CD1 4.41Å; F79-L89 HydrophobicContact CE1-CB 3.95Å; F79-L89 HydrophobicContact CE1-CD1 3.92Å; F79-L89 HydrophobicContact CE2-CD1 4.4Å; F79-L89 HydrophobicContact CZ-CD1 3.9Å; F79-L113 CarbonylContact O-C 3.49Å; F79-L113 WeakPolarHBondContact O-CA 3.36Å; F79-Y114 PolarHBondContact N-O 3.17Å; F79-Y114 PolarHBondContact O-N 2.92Å; F79-R116 HydrophobicContact CE2-CB 3.95Å
80G95Very high91.6Very high0 Ų055.9 Ų55.90%029%0.29CS..EExtended strand (participates in β ladder)trans-105.2149.7167.900000111A82 T88G80-A82 PolarHBondContact O-N 3.43Å; G80-T88 PolarHBondContact N-O 3.21Å; G80-T88 PolarHBondContact O-N 2.98Å
81L91.1Very high91.6Very high34 Ų3456.1 Ų56.118%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-87.397.9176-170.968.1000110.6L87 Y114L81-L87 HydrophobicContact CB-CD2 4.39Å; L81-L87 HydrophobicContact CD1-CD2 3.76Å; L81-Y114 HydrophobicContact CB-CE2 4.29Å
82A83.7Confident91.7Very high19 Ų1954.7 Ų54.716%0.15731%0.305CS..  trans-67155.1177.800000111.6G80 N84 N85 H86 R106G80-A82 PolarHBondContact O-N 3.43Å; A82-N84 WeakPolarHBondContact CB-OD1 3.49Å; A82-N84 PolarHBondContact O-N 3.29Å; A82-N84 PolarHBondContact O-OD1 3.42Å; A82-N85 WeakPolarHBondContact O-CA 3.42Å; A82-N85 PolarHBondContact O-N 3.33Å; A82-H86 WeakPolarHBondContact CB-O 3.24Å; A82-H86 PolarHBondContact N-O 3.13Å; A82-R106 VanDerWaalsContact C-NH2 3.3Å; A82-R106 PolarHBondContact O-NH2 2.98Å
83G79.5Confident91.8Very high61 Ų6156.2 Ų56.263%0.62932%0.324SS*.THydrogen-bonded Turntrans-40.6-34.7-175.700000117.4N85 R106G83-N85 VanDerWaalsContact C-N 3.27Å; G83-N85 PolarHBondContact O-N 2.93Å; G83-R106 VanDerWaalsContact C-CZ 3.5Å; G83-R106 VanDerWaalsContact C-NH2 3.35Å; G83-R106 PolarHBondContact O-NH1 2.6Å; G83-R106 PolarHBondContact O-NH2 2.79Å
84N84.8Confident92Very high103 Ų10360.4 Ų60.455%0.55135%0.353SS*.THydrogen-bonded Turntrans-84.811179.660.3-3.8000114.1A82 H86A82-N84 WeakPolarHBondContact CB-OD1 3.49Å; A82-N84 PolarHBondContact O-N 3.29Å; A82-N84 PolarHBondContact O-OD1 3.42Å; N84-H86 PolarHBondContact ND2-CD2 2.95Å; N84-H86 VanDerWaalsContact ND2-CD2 3.25Å; N84-H86 PolarHBondContact O-CD2 2.98Å; N84-H86 PolarHBondContact O-N 3.05Å; N84-H86 WeakPolarHBondContact OD1-CB 3.44Å; N84-H86 PolarHBondContact OD1-N 3.34Å; N84-H86 VanDerWaalsContact OD1-N 3.15Å
85N84.7Confident92.3Very high113 Ų11353.5 Ų53.560%0.60433%0.33SS*.SBendtrans64.917.3-174.8-57.3-18.3000114.7A82 G83 R106A82-N85 WeakPolarHBondContact O-CA 3.42Å; A82-N85 PolarHBondContact O-N 3.33Å; G83-N85 VanDerWaalsContact C-N 3.27Å; G83-N85 PolarHBondContact O-N 2.93Å; N85-R106 PolarHBondContact OD1-NH1 3.31Å; N85-R106 PolarHBondContact OD1-NH2 2.85Å
86H92Very high92.5Very high123 Ų12350.6 Ų50.657%0.56932%0.318SS*.  trans-86.9136.4170.8-72-96.5000111.2A82 N84 T88A82-H86 WeakPolarHBondContact CB-O 3.24Å; A82-H86 PolarHBondContact N-O 3.13Å; N84-H86 PolarHBondContact ND2-CD2 2.95Å; N84-H86 VanDerWaalsContact ND2-CD2 3.25Å; N84-H86 PolarHBondContact O-CD2 2.98Å; N84-H86 PolarHBondContact O-N 3.05Å; N84-H86 WeakPolarHBondContact OD1-CB 3.44Å; N84-H86 PolarHBondContact OD1-N 3.34Å; N84-H86 VanDerWaalsContact OD1-N 3.15Å; H86-T88 PolarHBondContact O-N 3.11Å
87L95.2Very high92.5Very high46 Ų4651 Ų5124%0.24132%0.319CS..EExtended strand (participates in β ladder)trans-76.1121.1170.4-64.9-178.9000109.7P5 F79 L81 Y114P5-L87 HydrophobicContact CG-CD1 3.99Å; F79-L87 HydrophobicContact CB-CB 4.18Å; F79-L87 HydrophobicContact CD1-CB 4.27Å; F79-L87 HydrophobicContact CG-CB 4.47Å; L81-L87 HydrophobicContact CB-CD2 4.39Å; L81-L87 HydrophobicContact CD1-CD2 3.76Å; L87-Y114 HydrophobicContact CD1-CD1 4.19Å; L87-Y114 HydrophobicContact CD1-CD2 4.4Å; L87-Y114 HydrophobicContact CD1-CG 4.08Å; L87-Y114 HydrophobicContact CD2-CD1 4.34Å; L87-Y114 HydrophobicContact CD2-CD2 3.21Å; L87-Y114 HydrophobicContact CD2-CE1 4.47Å; L87-Y114 HydrophobicContact CD2-CE2 3.38Å; L87-Y114 HydrophobicContact CD2-CG 3.74Å; L87-Y114 HydrophobicContact CG-CD2 4.45Å
88T95.2Very high92.5Very high53 Ų5352.2 Ų52.233%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-112127.1179.6-54.90000109.5F79 G80 H86 I90F79-T88 CarbonylContact C-O 3.56Å; F79-T88 WeakPolarHBondContact CA-O 3.45Å; G80-T88 PolarHBondContact N-O 3.21Å; G80-T88 PolarHBondContact O-N 2.98Å; H86-T88 PolarHBondContact O-N 3.11Å; T88-I90 PolarHBondContact O-N 3.29Å
89L96.3Very high92.3Very high80 Ų8057.3 Ų57.342%0.41935%0.351SS..EExtended strand (participates in β ladder)trans-59.1131.4175.3-176.968.7000110E77 F79E77-L89 HydrophobicContact CB-CD1 3.82Å; E77-L89 HydrophobicContact CG-CD1 4.23Å; F79-L89 HydrophobicContact CD1-CB 4.15Å; F79-L89 HydrophobicContact CD1-CD1 4.41Å; F79-L89 HydrophobicContact CE1-CB 3.95Å; F79-L89 HydrophobicContact CE1-CD1 3.92Å; F79-L89 HydrophobicContact CE2-CD1 4.4Å; F79-L89 HydrophobicContact CZ-CD1 3.9Å
90I96.3Very high92.2Very high12 Ų1256.7 Ų56.76%0.06235%0.348CS..  trans-95.899.1175.4-56.4171.4000107.3V32 L78 T88 T95 I100 Y104 L113V32-I90 HydrophobicContact CG2-CB 4.48Å; V32-I90 HydrophobicContact CG2-CG2 3.6Å; L78-I90 HydrophobicContact CD2-CD1 4.09Å; L78-I90 HydrophobicContact CG-CD1 4.2Å; L78-I90 PolarHBondContact O-N 3.37Å; T88-I90 PolarHBondContact O-N 3.29Å; I90-T95 HydrophobicContact CG2-CG2 4.31Å; I90-I100 HydrophobicContact CD1-CD1 4.11Å; I90-I100 HydrophobicContact CD1-CG1 4.21Å; I90-I100 HydrophobicContact CD1-CG2 3.67Å; I90-I100 HydrophobicContact CG2-CD1 4.02Å; I90-I100 HydrophobicContact CG2-CG1 3.95Å; I90-Y104 HydrophobicContact CD1-CD2 4.49Å; I90-Y104 HydrophobicContact CD1-CE2 4.15Å; I90-Y104 HydrophobicContact CG1-CE2 3.91Å; I90-L113 HydrophobicContact CD1-CD2 3.88Å
91S89.9Confident92.1Very high89 Ų8960 Ų6062%0.62236%0.364SS*.  trans-75.7152.4177.3-50.70000111.9T95S91-T95 PolarHBondContact O-OG1 3.07Å
92G89.9Confident92.1Very high41 Ų4164.8 Ų64.842%0.42339%0.39SS..  trans92.8107.917100000113.7V32 S94 T95V32-G92 WeakPolarHBondContact CB-O 3.23Å; G92-S94 PolarHBondContact O-N 3.23Å; G92-S94 VanDerWaalsContact O-N 3.09Å; G92-T95 WeakPolarHBondContact O-CB 3.26Å; G92-T95 PolarHBondContact O-N 2.95Å; G92-T95 PolarHBondContact O-OG1 3.33Å
93G92.6Very high92.4Very high42 Ų4271 Ų7143%0.43341%0.413SS..THydrogen-bonded Turntrans-59.3-23.3178.700000114.4T31 A33T31-G93 WeakPolarHBondContact CB-O 3.28Å; T31-G93 PolarHBondContact OG1-O 3.22Å; A33-G93 VanDerWaalsContact CB-O 3.25Å; A33-G93 WeakPolarHBondContact CB-O 3.08Å; A33-G93 PolarHBondContact N-O 3.48Å
94S96.3Very high92.8Very high97 Ų9769.2 Ų69.268%0.67839%0.388SS*.THydrogen-bonded Turntrans-87.9-8.617855.90000114.5G92 T96G92-S94 PolarHBondContact O-N 3.23Å; G92-S94 VanDerWaalsContact O-N 3.09Å; S94-T96 PolarHBondContact O-N 3.23Å
95T96.9Very high92.8Very high26 Ų2666.4 Ų66.416%0.1638%0.379CS..  trans-63.1122.2179-61.10000109.9T31 V32 I90 S91 G92 M99 I100T31-T95 CarbonylContact C-O 3.45Å; T31-T95 WeakPolarHBondContact CA-O 3.38Å; T31-T95 WeakPolarHBondContact CB-O 3.41Å; V32-T95 HydrophobicContact CG2-CG2 4.47Å; V32-T95 PolarHBondContact N-O 3.15Å; I90-T95 HydrophobicContact CG2-CG2 4.31Å; S91-T95 PolarHBondContact O-OG1 3.07Å; G92-T95 WeakPolarHBondContact O-CB 3.26Å; G92-T95 PolarHBondContact O-N 2.95Å; G92-T95 PolarHBondContact O-OG1 3.33Å; T95-M99 HydrophobicContact CG2-CB 3.9Å; T95-M99 HydrophobicContact CG2-CE 4.32Å; T95-M99 HydrophobicContact CG2-SD 4.22Å; T95-I100 HydrophobicContact CG2-CD1 4.49Å; T95-I100 HydrophobicContact CG2-CG1 3.88Å
96T97.2Very high92.2Very high27 Ų2766.7 Ų66.717%0.16637%0.371CS..BIsolated β-bridgetrans-78156-176.865.30000111.4A30 T31 S94 E98 M99 I100A30-T96 CarbonylContact O-C 3.52Å; A30-T96 VanDerWaalsContact O-CA 3.31Å; A30-T96 WeakPolarHBondContact O-CA 3.47Å; T31-T96 HydrophobicContact CG2-CG2 4.33Å; S94-T96 PolarHBondContact O-N 3.23Å; T96-E98 PolarHBondContact O-N 2.97Å; T96-M99 WeakPolarHBondContact O-CB 3.47Å; T96-M99 PolarHBondContact O-N 2.68Å; T96-M99 VanDerWaalsContact O-N 3.1Å; T96-M99 VanDerWaalsContact OG1-CG 3.32Å; T96-M99 WeakPolarHBondContact OG1-CG 3.4Å; T96-M99 PolarHBondContact OG1-N 2.92Å; T96-M99 VanDerWaalsContact OG1-N 3.16Å; T96-I100 VanDerWaalsContact O-CG1 3.32Å; T96-I100 WeakPolarHBondContact O-CG1 3.32Å; T96-I100 PolarHBondContact O-N 3.04Å
97L95.9Very high91.2Very high16 Ų1670.4 Ų70.48%0.08438%0.38CS..Hα-helixtrans-60.2-32.2173.4177.362.6000111.2T25 P27 A30 L35 I100 M101 I111 L113T25-L97 HydrophobicContact CG2-CD2 3.75Å; P27-L97 PolarHBondContact O-N 2.87Å; A30-L97 HydrophobicContact CB-CB 4.3Å; A30-L97 PolarHBondContact O-N 3.38Å; L35-L97 HydrophobicContact CD1-CD1 4.48Å; L97-I100 PolarHBondContact O-N 3.42Å; L97-M101 HydrophobicContact CD1-CG 4.27Å; L97-M101 HydrophobicContact CG-CG 4.32Å; L97-M101 HydrophobicContact CG-SD 4.04Å; L97-M101 WeakPolarHBondContact O-CB 3.38Å; L97-M101 WeakPolarHBondContact O-CG 3.39Å; L97-M101 PolarHBondContact O-N 3.34Å; L97-I111 HydrophobicContact CD1-CG2 4.13Å; L97-L113 HydrophobicContact CD1-CD1 4.18Å
98E95Very high90.6Very high96 Ų9678.8 Ų78.845%0.44942%0.415SS..Hα-helixtrans-59.1-48.2170.7-179.4172.6-139.300112.4P27 T96 I100 M101 N102P27-E98 HydrophobicContact CB-CB 4.07Å; P27-E98 WeakPolarHBondContact O-CB 3.42Å; P27-E98 PolarHBondContact O-N 3.41Å; T96-E98 PolarHBondContact O-N 2.97Å; E98-I100 VanDerWaalsContact C-N 3.3Å; E98-I100 PolarHBondContact O-N 2.92Å; E98-M101 PolarHBondContact O-N 2.84Å; E98-N102 VanDerWaalsContact O-CG 3.29Å; E98-N102 PolarHBondContact O-N 2.78Å; E98-N102 PolarHBondContact O-ND2 2.96Å
99M94.8Very high90.1Very high110 Ų11080.4 Ų80.454%0.54243%0.425SS..Hα-helixtrans-60.6-40.8175.1-68.9170.674.400111.8T95 T96 K103T95-M99 HydrophobicContact CG2-CB 3.9Å; T95-M99 HydrophobicContact CG2-CE 4.32Å; T95-M99 HydrophobicContact CG2-SD 4.22Å; T96-M99 WeakPolarHBondContact O-CB 3.47Å; T96-M99 PolarHBondContact O-N 2.68Å; T96-M99 VanDerWaalsContact O-N 3.1Å; T96-M99 VanDerWaalsContact OG1-CG 3.32Å; T96-M99 WeakPolarHBondContact OG1-CG 3.4Å; T96-M99 PolarHBondContact OG1-N 2.92Å; T96-M99 VanDerWaalsContact OG1-N 3.16Å; M99-K103 PolarHBondContact O-N 3.47Å
100I94.6Very high89.8Confident2 Ų282.6 Ų82.61%0.0144%0.444CS..Hα-helixtrans-64.4-44.8177-60.8169000110.2V32 L78 I90 T95 T96 L97 E98 K103 Y104 I111 L113V32-I100 HydrophobicContact CG2-CD1 3.84Å; L78-I100 HydrophobicContact CD2-CD1 4.24Å; I90-I100 HydrophobicContact CD1-CD1 4.11Å; I90-I100 HydrophobicContact CD1-CG1 4.21Å; I90-I100 HydrophobicContact CD1-CG2 3.67Å; I90-I100 HydrophobicContact CG2-CD1 4.02Å; I90-I100 HydrophobicContact CG2-CG1 3.95Å; T95-I100 HydrophobicContact CG2-CD1 4.49Å; T95-I100 HydrophobicContact CG2-CG1 3.88Å; T96-I100 VanDerWaalsContact O-CG1 3.32Å; T96-I100 WeakPolarHBondContact O-CG1 3.32Å; T96-I100 PolarHBondContact O-N 3.04Å; L97-I100 PolarHBondContact O-N 3.42Å; E98-I100 VanDerWaalsContact C-N 3.3Å; E98-I100 PolarHBondContact O-N 2.92Å; I100-K103 PolarHBondContact O-N 2.96Å; I100-Y104 HydrophobicContact CG2-CD2 3.75Å; I100-Y104 HydrophobicContact CG2-CE2 4.35Å; I100-Y104 WeakPolarHBondContact O-CD2 3.41Å; I100-Y104 PolarHBondContact O-N 2.85Å; I100-I111 HydrophobicContact CB-CD1 4.5Å; I100-I111 HydrophobicContact CG2-CD1 3.63Å; I100-L113 HydrophobicContact CG2-CD2 3.68Å
101M92.7Very high89.6Confident70 Ų7083.9 Ų83.935%0.34545%0.45SS..Hα-helixtrans-60.8-47177.4-74.217367.800111.5P27 L97 E98 K103 Y104 A105 I111P27-M101 HydrophobicContact CB-SD 4.07Å; P27-M101 HydrophobicContact CG-SD 4.16Å; L97-M101 HydrophobicContact CD1-CG 4.27Å; L97-M101 HydrophobicContact CG-CG 4.32Å; L97-M101 HydrophobicContact CG-SD 4.04Å; L97-M101 WeakPolarHBondContact O-CB 3.38Å; L97-M101 WeakPolarHBondContact O-CG 3.39Å; L97-M101 PolarHBondContact O-N 3.34Å; E98-M101 PolarHBondContact O-N 2.84Å; M101-K103 PolarHBondContact O-N 2.89Å; M101-Y104 PolarHBondContact O-N 3.37Å; M101-A105 HydrophobicContact CB-CB 4.43Å; M101-A105 WeakPolarHBondContact O-CA 3.45Å; M101-A105 WeakPolarHBondContact O-CB 3.29Å; M101-A105 PolarHBondContact O-N 3.32Å; M101-I111 HydrophobicContact CG-CB 4.43Å; M101-I111 HydrophobicContact CG-CD1 3.94Å; M101-I111 HydrophobicContact CG-CG2 4.34Å
102N91.4Very high89.8Confident135 Ų13583.2 Ų83.272%0.72244%0.437SS*.Hα-helixtrans-60.3-30.4178.2-70-20.6000112.9E98E98-N102 VanDerWaalsContact O-CG 3.29Å; E98-N102 PolarHBondContact O-N 2.78Å; E98-N102 PolarHBondContact O-ND2 2.96Å
103K90.2Very high90.1Very high149 Ų14981.5 Ų81.565%0.64842%0.419SS*.Hα-helixtrans-87.8-38.7-179-172.4173179.3-173.90114.1M99 I100 M101M99-K103 PolarHBondContact O-N 3.47Å; I100-K103 PolarHBondContact O-N 2.96Å; M101-K103 PolarHBondContact O-N 2.89Å
104Y87.9Confident90.3Very high24 Ų2480.7 Ų80.79%0.09440%0.402CS..Hα-helixtrans-118.3-15.8-168-59-75.4000114.7I90 I100 M101 R106I90-Y104 HydrophobicContact CD1-CD2 4.49Å; I90-Y104 HydrophobicContact CD1-CE2 4.15Å; I90-Y104 HydrophobicContact CG1-CE2 3.91Å; I100-Y104 HydrophobicContact CG2-CD2 3.75Å; I100-Y104 HydrophobicContact CG2-CE2 4.35Å; I100-Y104 WeakPolarHBondContact O-CD2 3.41Å; I100-Y104 PolarHBondContact O-N 2.85Å; M101-Y104 PolarHBondContact O-N 3.37Å; Y104-R106 PolarHBondContact O-N 3.02Å
105A83.2Confident90.3Very high43 Ų4376.1 Ų76.136%0.35537%0.37SS..  trans-71.3116.2179.400000110.1M101M101-A105 HydrophobicContact CB-CB 4.43Å; M101-A105 WeakPolarHBondContact O-CA 3.45Å; M101-A105 WeakPolarHBondContact O-CB 3.29Å; M101-A105 PolarHBondContact O-N 3.32Å
106R72.4Confident90.3Very high120 Ų12078 Ų7845%0.45338%0.375SS..  trans-87.2-18-176.1-57.7-167.4-164.717211.5113.9A82 G83 N85 Y104A82-R106 VanDerWaalsContact C-NH2 3.3Å; A82-R106 PolarHBondContact O-NH2 2.98Å; G83-R106 VanDerWaalsContact C-CZ 3.5Å; G83-R106 VanDerWaalsContact C-NH2 3.35Å; G83-R106 PolarHBondContact O-NH1 2.6Å; G83-R106 PolarHBondContact O-NH2 2.79Å; N85-R106 PolarHBondContact OD1-NH1 3.31Å; N85-R106 PolarHBondContact OD1-NH2 2.85Å; Y104-R106 PolarHBondContact O-N 3.02Å
107R72.5Confident90Very high201 Ų20177 Ų7776%0.75837%0.368SS*.SBendtrans-157.3178.3-171.1-63-172.2179.1175.1-0.9111T109R107-T109 HydrophobicContact CB-CG2 4.07Å; R107-T109 PolarHBondContact O-N 2.72Å
108K81.5Confident89.4Confident222 Ų22277.4 Ų77.497%0.96537%0.372SS*.SBendtrans-68.842.4165.2-63.3-176.7177.4-179.30112.5
109T84.1Confident88.7Confident86 Ų8679.3 Ų79.353%0.52838%0.379SS..SBendtrans-115.5153.817953.80000109.5R107 I111R107-T109 HydrophobicContact CB-CG2 4.07Å; R107-T109 PolarHBondContact O-N 2.72Å; T109-I111 PolarHBondContact O-N 3.23Å
110P91.2Very high87.8Confident126 Ų12677.4 Ų77.482%0.81837%0.368SS*.PPolyproline II helixtrans-52.2137.9170.5-24.734.4000110.6
111I92.4Very high86.8Confident40 Ų4078.9 Ų78.921%0.20537%0.374CS..PPolyproline II helixtrans-67.9135.3178-170.8170.8000110.8L97 I100 M101 T109 L113L97-I111 HydrophobicContact CD1-CG2 4.13Å; I100-I111 HydrophobicContact CB-CD1 4.5Å; I100-I111 HydrophobicContact CG2-CD1 3.63Å; M101-I111 HydrophobicContact CG-CB 4.43Å; M101-I111 HydrophobicContact CG-CD1 3.94Å; M101-I111 HydrophobicContact CG-CG2 4.34Å; T109-I111 PolarHBondContact O-N 3.23Å; I111-L113 HydrophobicContact CD1-CD2 3.95Å; I111-L113 HydrophobicContact CD1-CG 4.44Å; I111-L113 HydrophobicContact CG1-CD2 4.13Å; I111-L113 HydrophobicContact CG1-CG 4.29Å; I111-L113 HydrophobicContact CG2-CG 4.47Å
112E92.9Very high85.9Confident74 Ų7476.2 Ų76.235%0.34636%0.361SS..PPolyproline II helixtrans-96.8122173.1-169.1169.6-156.700109.9R2 Y114R2-E112 WeakPolarHBondContact CD-OE1 3.45Å; R2-E112 IonicContact NE-OE1 3.29Å; R2-E112 IonicContact NH1-OE1 3.28Å; E112-Y114 VanDerWaalsContact CD-OH 3.31Å; E112-Y114 HydrophobicContact CG-CE2 3.73Å; E112-Y114 PolarHBondContact OE1-OH 3.37Å; E112-Y114 VanDerWaalsContact OE1-OH 3.07Å
113L96.2Very high84.6Confident6 Ų672 Ų723%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-126.1148.7178.5-62.3176.3000108.6M1 R2 L35 L78 F79 I90 L97 I100 I111M1-L113 CarbonylContact C-O 3.6Å; M1-L113 WeakPolarHBondContact CA-O 3.47Å; M1-L113 HydrophobicContact CG-CB 4.04Å; M1-L113 HydrophobicContact CG-CD1 4.44Å; R2-L113 PolarHBondContact N-O 3.15Å; L35-L113 HydrophobicContact CD1-CD1 4.07Å; L78-L113 HydrophobicContact CD1-CB 4.31Å; L78-L113 HydrophobicContact CD2-CD1 4.42Å; F79-L113 CarbonylContact O-C 3.49Å; F79-L113 WeakPolarHBondContact O-CA 3.36Å; I90-L113 HydrophobicContact CD1-CD2 3.88Å; L97-L113 HydrophobicContact CD1-CD1 4.18Å; I100-L113 HydrophobicContact CG2-CD2 3.68Å; I111-L113 HydrophobicContact CD1-CD2 3.95Å; I111-L113 HydrophobicContact CD1-CG 4.44Å; I111-L113 HydrophobicContact CG1-CD2 4.13Å; I111-L113 HydrophobicContact CG1-CG 4.29Å; I111-L113 HydrophobicContact CG2-CG 4.47Å
114Y97.5Very high82.7Confident24 Ų2468.5 Ų68.59%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-117.8145.1176.9-60.4-107.9000110.1R2 P3 P5 L78 F79 L81 L87 E112R2-Y114 HydrophobicContact CB-CD1 3.77Å; R2-Y114 HydrophobicContact CB-CE1 3.91Å; R2-Y114 HydrophobicContact CB-CG 4.43Å; R2-Y114 HydrophobicContact CG-CE1 4.43Å; R2-Y114 CarbonylContact O-C 3.6Å; R2-Y114 WeakPolarHBondContact O-CA 3.45Å; P3-Y114 WeakPolarHBondContact O-CD1 3.48Å; P5-Y114 HydrophobicContact CG-CE1 4.48Å; L78-Y114 CarbonylContact C-O 3.42Å; L78-Y114 WeakPolarHBondContact CA-O 3.3Å; F79-Y114 PolarHBondContact N-O 3.17Å; F79-Y114 PolarHBondContact O-N 2.92Å; L81-Y114 HydrophobicContact CB-CE2 4.29Å; L87-Y114 HydrophobicContact CD1-CD1 4.19Å; L87-Y114 HydrophobicContact CD1-CD2 4.4Å; L87-Y114 HydrophobicContact CD1-CG 4.08Å; L87-Y114 HydrophobicContact CD2-CD1 4.34Å; L87-Y114 HydrophobicContact CD2-CD2 3.21Å; L87-Y114 HydrophobicContact CD2-CE1 4.47Å; L87-Y114 HydrophobicContact CD2-CE2 3.38Å; L87-Y114 HydrophobicContact CD2-CG 3.74Å; L87-Y114 HydrophobicContact CG-CD2 4.45Å; E112-Y114 VanDerWaalsContact CD-OH 3.31Å; E112-Y114 HydrophobicContact CG-CE2 3.73Å; E112-Y114 PolarHBondContact OE1-OH 3.37Å; E112-Y114 VanDerWaalsContact OE1-OH 3.07Å
115F96.9Very high80.9Confident1 Ų173.8 Ų73.80%0.00436%0.361CS..EExtended strand (participates in β ladder)trans-119.9145.2174.967.3-94.5000110.6M1 R2 P3 H4 V39 E77 L117M1-F115 HydrophobicContact CB-CD1 4.32Å; M1-F115 HydrophobicContact CE-CB 4.2Å; M1-F115 HydrophobicContact CE-CD1 4.35Å; R2-F115 WeakPolarHBondContact O-CD1 3.41Å; R2-F115 WeakPolarHBondContact O-CE1 3.47Å; R2-F115 PolarHBondContact O-N 3.48Å; P3-F115 CarbonylContact C-O 3.53Å; P3-F115 HydrophobicContact CB-CE1 4.32Å; P3-F115 HydrophobicContact CB-CE2 4.13Å; P3-F115 HydrophobicContact CB-CZ 3.84Å; P3-F115 HydrophobicContact CG-CE1 4.14Å; P3-F115 HydrophobicContact CG-CE2 4.5Å; P3-F115 HydrophobicContact CG-CZ 3.76Å; H4-F115 WeakPolarHBondContact CB-O 3.43Å; H4-F115 PolarHBondContact N-O 3.15Å; V39-F115 HydrophobicContact CG1-CB 4.28Å; V39-F115 HydrophobicContact CG1-CD1 4.3Å; V39-F115 HydrophobicContact CG1-CD2 3.46Å; V39-F115 VanDerWaalsContact CG1-CD2 3.46Å; V39-F115 HydrophobicContact CG1-CE2 3.79Å; V39-F115 HydrophobicContact CG1-CG 3.76Å; V39-F115 HydrophobicContact CG1-CZ 4.33Å; V39-F115 HydrophobicContact CG2-CB 4.14Å; V39-F115 HydrophobicContact CG2-CD1 4.06Å; V39-F115 HydrophobicContact CG2-CG 4Å; E77-F115 CarbonylContact O-C 3.38Å; E77-F115 VanDerWaalsContact O-CA 3.22Å; E77-F115 WeakPolarHBondContact O-CA 3.4Å; F115-L117 HydrophobicContact CD2-CG 4.41Å; F115-L117 HydrophobicContact CE2-CD1 4.49Å
116R95.8Very high78.9Confident66 Ų6673.5 Ų73.525%0.24936%0.357CS..EExtended strand (participates in β ladder)trans-123.8122.2168.2-172.2-172-76.8136.5-12.7109.2H4 D6 I7 C76 E77 F79H4-R116 HydrophobicContact CB-CB 4Å; H4-R116 HydrophobicContact CB-CG 4.46Å; H4-R116 PolarHBondContact CE1-NH2 2.96Å; H4-R116 PolarHBondContact ND1-NH2 3.23Å; H4-R116 PolarHBondContact NE2-NH2 3.06Å; H4-R116 VanDerWaalsContact NE2-NH2 3.16Å; D6-R116 IonicContact OD1-NE 2.63Å; D6-R116 IonicContact OD2-CZ 2.6Å; D6-R116 VanDerWaalsContact OD2-CZ 3.27Å; D6-R116 IonicContact OD2-NE 2.91Å; D6-R116 PolarHBondContact OD2-NE 3.46Å; D6-R116 IonicContact OD2-NH2 3.85Å; D6-R116 PolarHBondContact OD2-NH2 2.77Å; I7-R116 HydrophobicContact CD1-CB 4.41Å; I7-R116 HydrophobicContact CD1-CG 3.81Å; C76-R116 WeakPolarHBondContact CA-O 3.48Å; E77-R116 HydrophobicContact CB-CB 4.23Å; E77-R116 PolarHBondContact N-O 2.82Å; E77-R116 PolarHBondContact O-N 3.43Å; E77-R116 WeakPolarHBondContact OE2-CD 3.37Å; E77-R116 IonicContact OE2-CZ 2.84Å; E77-R116 IonicContact OE2-NE 3.97Å; E77-R116 IonicContact OE2-NH1 3.2Å; E77-R116 PolarHBondContact OE2-NH1 3.05Å; F79-R116 HydrophobicContact CE2-CB 3.95Å
117L90.9Very high77.6Confident7 Ų771.7 Ų71.74%0.03736%0.359CS..  trans-90.2139.5168.5-73.3169.8000109V39 V40 V43 C76 F115 K119 L122V39-L117 HydrophobicContact CG1-CD1 4.21Å; V39-L117 HydrophobicContact CG1-CD2 4.3Å; V39-L117 HydrophobicContact CG1-CG 4.24Å; V40-L117 HydrophobicContact CG2-CD2 3.75Å; V43-L117 HydrophobicContact CB-CD1 4.21Å; V43-L117 HydrophobicContact CG1-CD1 4.15Å; V43-L117 HydrophobicContact CG2-CD1 3.78Å; C76-L117 HydrophobicContact CB-CD2 3.96Å; F115-L117 HydrophobicContact CD2-CG 4.41Å; F115-L117 HydrophobicContact CE2-CD1 4.49Å; L117-K119 PolarHBondContact O-N 3.02Å; L117-L122 HydrophobicContact CB-CD1 4.01Å; L117-L122 HydrophobicContact CB-CD2 3.75Å; L117-L122 HydrophobicContact CB-CG 3.94Å; L117-L122 HydrophobicContact CD1-CD2 3.77Å; L117-L122 HydrophobicContact CG-CD2 4.42Å
118P84.4Confident75.9Confident23 Ų2370.7 Ų70.715%0.14936%0.36CS..  trans-52.9137.8173.3-29.732.7000112.8H75 H120 F121H75-P118 HydrophobicContact CB-CG 3.56Å; H75-P118 WeakPolarHBondContact O-CD 3.37Å; H75-P118 WeakPolarHBondContact O-CG 3.37Å; P118-H120 WeakPolarHBondContact CB-CE1 3.24Å; P118-H120 PolarHBondContact O-N 2.81Å; P118-H120 VanDerWaalsContact O-N 3.14Å; P118-F121 HydrophobicContact CB-CD2 3.78Å; P118-F121 HydrophobicContact CB-CE2 3.9Å; P118-F121 HydrophobicContact CB-CG 4.36Å; P118-F121 HydrophobicContact CG-CD2 3.68Å; P118-F121 HydrophobicContact CG-CE2 3.49Å; P118-F121 VanDerWaalsContact CG-CE2 3.49Å; P118-F121 HydrophobicContact CG-CZ 4.39Å; P118-F121 WeakPolarHBondContact O-CB 3.32Å; P118-F121 PolarHBondContact O-N 2.87Å
119K80Confident73.9Confident137 Ų13765 Ų6560%0.59635%0.348SS*.Hα-helixtrans-54.7-36.9-176.5-65.3-177.3179.6174.80112.9L117 F121 L122 L123L117-K119 PolarHBondContact O-N 3.02Å; K119-F121 PolarHBondContact O-N 3.3Å; K119-L122 CarbonylContact O-C 3.5Å; K119-L122 PolarHBondContact O-N 3.04Å; K119-L123 PolarHBondContact O-N 3.5Å
120H74.4Confident71.8Confident69 Ų6967.2 Ų67.232%0.31936%0.356SS..Hα-helixtrans-68.2-17.1178.962.6-98000114P118 V127P118-H120 WeakPolarHBondContact CB-CE1 3.24Å; P118-H120 PolarHBondContact O-N 2.81Å; P118-H120 VanDerWaalsContact O-N 3.14Å; H120-V127 HydrophobicContact CB-CG2 4.39Å
121F75.2Confident69.4Low33 Ų3369.5 Ų69.515%0.14536%0.356CS..Hα-helixtrans-85.4-18.3168.4-58.5-31.8000113.1V67 K72 H75 P118 K119V67-F121 HydrophobicContact CB-CE1 4.11Å; V67-F121 HydrophobicContact CG1-CE1 3.96Å; V67-F121 HydrophobicContact CG1-CZ 4.22Å; V67-F121 HydrophobicContact CG2-CE1 4.12Å; K72-F121 HydrophobicContact CB-CD2 4.21Å; K72-F121 HydrophobicContact CB-CE2 3.81Å; K72-F121 HydrophobicContact CB-CZ 4.09Å; K72-F121 HydrophobicContact CD-CD1 4.41Å; K72-F121 HydrophobicContact CD-CG 4.42Å; K72-F121 HydrophobicContact CG-CD1 4.08Å; K72-F121 HydrophobicContact CG-CD2 4.05Å; K72-F121 HydrophobicContact CG-CE1 3.79Å; K72-F121 HydrophobicContact CG-CE2 3.78Å; K72-F121 HydrophobicContact CG-CG 4.23Å; K72-F121 HydrophobicContact CG-CZ 3.66Å; H75-F121 HydrophobicContact CB-CE2 4.11Å; H75-F121 HydrophobicContact CB-CZ 4.49Å; P118-F121 HydrophobicContact CB-CD2 3.78Å; P118-F121 HydrophobicContact CB-CE2 3.9Å; P118-F121 HydrophobicContact CB-CG 4.36Å; P118-F121 HydrophobicContact CG-CD2 3.68Å; P118-F121 HydrophobicContact CG-CE2 3.49Å; P118-F121 VanDerWaalsContact CG-CE2 3.49Å; P118-F121 HydrophobicContact CG-CZ 4.39Å; P118-F121 WeakPolarHBondContact O-CB 3.32Å; P118-F121 PolarHBondContact O-N 2.87Å; K119-F121 PolarHBondContact O-N 3.3Å
122L72Confident66.9Low14 Ų1475 Ų757%0.07339%0.386CS..Hα-helixtrans-101.9-28.2-173.1-59.9-178000113I7 Y13 I17 L117 K119I7-L122 HydrophobicContact CD1-CD1 3.79Å; I7-L122 HydrophobicContact CG1-CD1 4.16Å; Y13-L122 HydrophobicContact CD1-CB 3.73Å; Y13-L122 HydrophobicContact CD1-CD1 4Å; Y13-L122 HydrophobicContact CD1-CG 4.47Å; Y13-L122 HydrophobicContact CE1-CB 3.48Å; Y13-L122 VanDerWaalsContact CE1-CB 3.48Å; Y13-L122 HydrophobicContact CE1-CD1 3.6Å; Y13-L122 HydrophobicContact CE1-CG 4.2Å; I17-L122 HydrophobicContact CD1-CD2 3.61Å; I17-L122 HydrophobicContact CG2-CD1 4.44Å; I17-L122 HydrophobicContact CG2-CD2 3.74Å; L117-L122 HydrophobicContact CB-CD1 4.01Å; L117-L122 HydrophobicContact CB-CD2 3.75Å; L117-L122 HydrophobicContact CB-CG 3.94Å; L117-L122 HydrophobicContact CD1-CD2 3.77Å; L117-L122 HydrophobicContact CG-CD2 4.42Å; K119-L122 CarbonylContact O-C 3.5Å; K119-L122 PolarHBondContact O-N 3.04Å
123L65.3Low64.1Low46 Ų4674.5 Ų74.524%0.24140%0.4CS..  trans-130.6121.4-177.1-63.5172.3000109.8Y13 K119 D125 S126Y13-L123 HydrophobicContact CD1-CD2 4.1Å; Y13-L123 HydrophobicContact CD1-CG 4.15Å; Y13-L123 HydrophobicContact CE1-CD1 3.79Å; Y13-L123 HydrophobicContact CE1-CD2 4.14Å; Y13-L123 HydrophobicContact CE1-CG 3.71Å; K119-L123 PolarHBondContact O-N 3.5Å; L123-D125 PolarHBondContact O-N 3.36Å; L123-S126 PolarHBondContact O-N 2.96Å
124P50.1Low61.3Low76 Ų7679.2 Ų79.249%0.49443%0.434SS..G310 helixtrans-63.6-26.1-17622.4-30.7000113.5S126P124-S126 VanDerWaalsContact C-N 3.3Å; P124-S126 PolarHBondContact O-N 3.02Å
125D49.8Very low58.5Low135 Ų13586.6 Ų86.672%0.72247%0.474SS*.G310 helixtrans-80.3-7.2-176.9-58.8-40.2000114.3L123L123-D125 PolarHBondContact O-N 3.36Å
126S42.3Very low55.6Low38 Ų3891.8 Ų91.827%0.26651%0.51SS..G310 helixtrans-84.3-9.3-172.5-61.40000114.5L123 P124 K128L123-S126 PolarHBondContact O-N 2.96Å; P124-S126 VanDerWaalsContact C-N 3.3Å; P124-S126 PolarHBondContact O-N 3.02Å; S126-K128 VanDerWaalsContact C-N 3.33Å
127V43.2Very low52.7Low82 Ų8293 Ų9350%0.49754%0.535SS..G310 helixtrans-76.9-22.3-177.9-159.10000112H120 S129H120-V127 HydrophobicContact CB-CG2 4.39Å; V127-S129 PolarHBondContact O-N 3.05Å
128K38.7Very low50.4Low179 Ų17997 Ų9778%0.77857%0.568SS**G310 helixtrans-67-5.6180-69.1-172.4177.7179.80115.1S126S126-K128 VanDerWaalsContact C-N 3.33Å
129S38Very low48.5Very low103 Ų103103.7 Ų103.772%0.7260%0.603SS**G310 helixtrans-108.5-1-173.8-159.30000114.8V127V127-S129 PolarHBondContact O-N 3.05Å
130L41.2Very low47.1Very low133 Ų133101.6 Ų101.670%0.69661%0.611SS**SBendtrans-101.2-15.5-179.3-102.693.2000114.8
131E40.4Very low46Very low174 Ų174105 Ų10581%0.81363%0.632SS**SBendtrans-97-14.5-177.3-67.3-175.2139.700114G133E131-G133 PolarHBondContact O-N 3.33Å
132D39.3Very low45Very low156 Ų156110.6 Ų110.683%0.83466%0.662SS**SBendtrans-92.912.9-176-71.9-26.3000114.8
133G34.6Very low44Very low63 Ų63116.2 Ų116.265%0.64969%0.692SS**SBendtrans-114-4.4-165.500000117.7E131E131-G133 PolarHBondContact O-N 3.33Å
134S37.5Very low43.3Very low104 Ų104121.5 Ų121.573%0.72772%0.721SS**SBendtrans-163.596.3-175.74.70000113.1
135L37.7Very low43.6Very low180 Ų180122.6 Ų122.694%0.94273%0.731SS**  178.297.5127.8-92.4158.8000109
136S36Very low43.9Very low109 Ų109124.9 Ų124.976%0.76277%0.768SS**  trans-65.7141.7165.9123.60000110.3
137A35.3Very low44Very low93 Ų93129.2 Ų129.277%0.76979%0.793SS**  trans61.7103148.500000118.3
138A42.6Very low44.1Very low90 Ų90131.7 Ų131.774%0.74481%0.808SS**  159.5109.8126.500000107.5
139D45.7Very low44.4Very low164 Ų164129.1 Ų129.188%0.87781%0.81SS**  trans172.770.3138.8-82-16.4000107.1
140A50Low44.7Very low92 Ų92130.6 Ų130.676%0.7682%0.815SS**  trans-69.4118.5143.600000106
141D51.2Low45Very low142 Ų142130.4 Ų130.476%0.75982%0.823SS**  -177.1138.3126.5-108.5-24.1000113.6
142L53.6Low45.3Very low149 Ų149127.5 Ų127.578%0.7882%0.823SS**  trans7192.5150.8-56.4161.1000115.9
143N50.8Low45.7Very low132 Ų132125.5 Ų125.571%0.70682%0.823SS**  44.5102.367.4-155.940.2000113.3
144D51Low46.6Very low158 Ų158130.3 Ų130.385%0.84584%0.836SS**  -151.2135.6121.1-142.5-7.6000111.1
145S57.4Low47.3Very low99 Ų99132.5 Ų132.569%0.69285%0.845SS**  trans-105.5129.8-177-60.20000109.1
146A56.6Low48.2Very low182 Ų182128.2 Ų128.2100%1.50484%0.836SS**  trans-157.50149.600000109.2

Retrieved 146 of 146 residues in 980.5 ms (Link to these results)

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