A0A077ZC16_TRITR Loading...

UQ con domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 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
1M61.8Low90.9Very high135 Ų13580.5 Ų80.567%0.66538%0.377SS*.  0129.60-79.9-66.7-63.900108.2T5 F66M1-T5 HydrophobicContact CE-CG2 3.35Å; M1-F66 HydrophobicContact CE-CD2 3.89Å; M1-F66 HydrophobicContact CE-CE2 3.39Å; M1-F66 HydrophobicContact CG-CD2 3.83Å; M1-F66 HydrophobicContact CG-CE2 3.7Å; M1-F66 HydrophobicContact SD-CD2 4.38Å; M1-F66 HydrophobicContact SD-CE2 3.71Å; M1-F66 HydrophobicContact SD-CZ 4.49Å
2S81.3Confident91.4Very high64 Ų6482.5 Ų82.545%0.44839%0.386SS..  trans-97.4154.2-177.562.70000110.9R4 T5S2-R4 PolarHBondContact O-N 3.29Å; S2-R4 VanDerWaalsContact O-N 3.08Å; S2-T5 PolarHBondContact O-N 2.96Å
3E90.3Very high91.8Very high99 Ų9976.8 Ų76.846%0.46336%0.36SS..Hα-helixtrans-51.3-31.6172.6-174.5-177.6148.700112.3T5 A6 R7 T62E3-T5 VanDerWaalsContact C-N 3.32Å; E3-T5 PolarHBondContact O-N 3.26Å; E3-A6 WeakPolarHBondContact O-CB 3.44Å; E3-A6 PolarHBondContact O-N 3.06Å; E3-R7 HydrophobicContact CG-CG 4.32Å; E3-R7 WeakPolarHBondContact O-CG 3.49Å; E3-R7 PolarHBondContact O-N 3.47Å; E3-T62 HydrophobicContact CB-CG2 4.26Å; E3-T62 HydrophobicContact CG-CG2 4.19Å
4R93.4Very high92.1Very high191 Ų19175.4 Ų75.472%0.72135%0.35SS*.Hα-helixtrans-54.9-44.7175-176.8179.4177.7-176.3-0.4112.5S2 R7 L8S2-R4 PolarHBondContact O-N 3.29Å; S2-R4 VanDerWaalsContact O-N 3.08Å; R4-R7 PolarHBondContact O-N 3.32Å; R4-L8 HydrophobicContact CG-CD1 4.49Å; R4-L8 WeakPolarHBondContact O-CG 3.42Å; R4-L8 PolarHBondContact O-N 3Å; R4-L8 VanDerWaalsContact O-N 3.11Å
5T93.9Very high92.3Very high60 Ų6077.9 Ų77.937%0.36836%0.362SS..Hα-helixtrans-70.2-38.2-179.4-51.40000111.4M1 S2 E3 L8 R9M1-T5 HydrophobicContact CE-CG2 3.35Å; S2-T5 PolarHBondContact O-N 2.96Å; E3-T5 VanDerWaalsContact C-N 3.32Å; E3-T5 PolarHBondContact O-N 3.26Å; T5-L8 PolarHBondContact O-N 3.15Å; T5-R9 PolarHBondContact O-N 2.84Å
6A96.4Very high92.5Very high0 Ų077.1 Ų77.10%036%0.358CS..Hα-helixtrans-59.2-48173.900000111.1E3 L8 R9 L10 M35 Y64E3-A6 WeakPolarHBondContact O-CB 3.44Å; E3-A6 PolarHBondContact O-N 3.06Å; A6-L8 PolarHBondContact O-N 3.11Å; A6-R9 PolarHBondContact O-N 3.16Å; A6-L10 VanDerWaalsContact O-CG 3.29Å; A6-L10 WeakPolarHBondContact O-CG 3.42Å; A6-L10 PolarHBondContact O-N 3.01Å; A6-M35 HydrophobicContact CB-CE 4.14Å; A6-M35 HydrophobicContact CB-SD 4.43Å; A6-Y64 WeakPolarHBondContact CA-O 3.35Å; A6-Y64 WeakPolarHBondContact CB-O 3.28Å
7R96.1Very high92.6Very high90 Ų9073.2 Ų73.234%0.3434%0.341SS..Hα-helixtrans-60.2-44178.1-65.8177.296-113.54.7112.3E3 R4 R9 L10 Q11 I34 M35E3-R7 HydrophobicContact CG-CG 4.32Å; E3-R7 WeakPolarHBondContact O-CG 3.49Å; E3-R7 PolarHBondContact O-N 3.47Å; R4-R7 PolarHBondContact O-N 3.32Å; R7-R9 PolarHBondContact O-N 2.65Å; R7-L10 PolarHBondContact O-N 3.18Å; R7-Q11 WeakPolarHBondContact O-CG 3.35Å; R7-Q11 PolarHBondContact O-N 3.36Å; R7-I34 HydrophobicContact CB-CG2 4.11Å; R7-I34 HydrophobicContact CG-CG2 3.75Å; R7-M35 HydrophobicContact CG-SD 3.87Å
8L96.1Very high92.6Very high97 Ų9775.3 Ų75.351%0.50835%0.35SS..Hα-helixtrans-61.7-43.2177.2-73.1171.8000112.2R4 T5 A6 Q11 H12R4-L8 HydrophobicContact CG-CD1 4.49Å; R4-L8 WeakPolarHBondContact O-CG 3.42Å; R4-L8 PolarHBondContact O-N 3Å; R4-L8 VanDerWaalsContact O-N 3.11Å; T5-L8 PolarHBondContact O-N 3.15Å; A6-L8 PolarHBondContact O-N 3.11Å; L8-Q11 PolarHBondContact O-N 2.91Å; L8-H12 PolarHBondContact O-N 2.98Å
9R96.9Very high92.6Very high64 Ų6479 Ų7924%0.24237%0.365CS..Hα-helixtrans-61.4-45175.7172.964-174.4-92.5-19.5111.5T5 A6 R7 H12 E13 Y64 P65 P108 L110T5-R9 PolarHBondContact O-N 2.84Å; A6-R9 PolarHBondContact O-N 3.16Å; R7-R9 PolarHBondContact O-N 2.65Å; R9-H12 PolarHBondContact O-N 3.17Å; R9-E13 IonicContact CZ-OE1 3.46Å; R9-E13 IonicContact NE-OE1 2.77Å; R9-E13 PolarHBondContact NE-OE1 3.44Å; R9-E13 IonicContact NH2-OE1 3.31Å; R9-E13 PolarHBondContact NH2-OE1 2.95Å; R9-E13 PolarHBondContact O-N 3.31Å; R9-Y64 HydrophobicContact CG-CD1 4.06Å; R9-Y64 HydrophobicContact CG-CE1 3.67Å; R9-P65 HydrophobicContact CG-CB 4.48Å; R9-P65 HydrophobicContact CG-CG 4.31Å; R9-P108 PolarHBondContact NH1-O 2.7Å; R9-P108 PolarHBondContact NH2-O 2.85Å; R9-L110 PolarHBondContact NH2-O 3.47Å
10L97.7Very high92.4Very high0 Ų080.1 Ų80.10%037%0.37CS..Hα-helixtrans-67-36.2179.5-68169.2000112.6A6 R7 H12 E13 Y14 I34 M35 W37 F60 Y64A6-L10 VanDerWaalsContact O-CG 3.29Å; A6-L10 WeakPolarHBondContact O-CG 3.42Å; A6-L10 PolarHBondContact O-N 3.01Å; R7-L10 PolarHBondContact O-N 3.18Å; L10-H12 VanDerWaalsContact C-N 3.34Å; L10-E13 PolarHBondContact O-N 3.3Å; L10-Y14 WeakPolarHBondContact O-CB 3.4Å; L10-Y14 PolarHBondContact O-N 3.44Å; L10-I34 HydrophobicContact CB-CD1 3.93Å; L10-I34 HydrophobicContact CB-CG1 4Å; L10-M35 HydrophobicContact CD1-CE 4.32Å; L10-M35 HydrophobicContact CD1-SD 3.58Å; L10-M35 VanDerWaalsContact CD1-SD 3.58Å; L10-W37 HydrophobicContact CB-CZ2 4.27Å; L10-W37 HydrophobicContact CD2-CZ2 4.29Å; L10-F60 HydrophobicContact CD1-CB 3.91Å; L10-F60 HydrophobicContact CD1-CD1 4.31Å; L10-F60 HydrophobicContact CD1-CD2 3.96Å; L10-F60 HydrophobicContact CD1-CG 3.78Å; L10-F60 HydrophobicContact CD2-CD1 3.49Å; L10-F60 VanDerWaalsContact CD2-CD1 3.49Å; L10-F60 HydrophobicContact CD2-CD2 4Å; L10-F60 HydrophobicContact CD2-CE1 3.47Å; L10-F60 VanDerWaalsContact CD2-CE1 3.47Å; L10-F60 HydrophobicContact CD2-CE2 4.01Å; L10-F60 HydrophobicContact CD2-CG 3.77Å; L10-F60 HydrophobicContact CD2-CZ 3.75Å; L10-F60 HydrophobicContact CG-CG 4.44Å; L10-Y64 HydrophobicContact CD1-CD1 4.48Å; L10-Y64 HydrophobicContact CD2-CD1 3.75Å; L10-Y64 HydrophobicContact CD2-CE1 3.47Å; L10-Y64 VanDerWaalsContact CD2-CE1 3.47Å; L10-Y64 HydrophobicContact CG-CD1 3.91Å; L10-Y64 HydrophobicContact CG-CE1 4.04Å
11Q96.2Very high92.1Very high85 Ų8584.8 Ų84.840%0.39739%0.39SS..Hα-helixtrans-59.8-45.9172.9-75175.7-32.300111.2R7 L8 Y14 Q15 I34R7-Q11 WeakPolarHBondContact O-CG 3.35Å; R7-Q11 PolarHBondContact O-N 3.36Å; L8-Q11 PolarHBondContact O-N 2.91Å; Q11-Y14 PolarHBondContact O-N 3.4Å; Q11-Q15 VanDerWaalsContact O-CG 3.28Å; Q11-Q15 WeakPolarHBondContact O-CG 3.36Å; Q11-Q15 PolarHBondContact O-N 3.49Å; Q11-I34 HydrophobicContact CB-CD1 4.13Å; Q11-I34 HydrophobicContact CG-CD1 3.26Å
12H96.5Very high93.5Very high105 Ų10579.9 Ų79.949%0.48637%0.365SS..Hα-helixtrans-63.4-49.1177.2-177-79.4000111.6L8 R9 L10 Y14 Q15 E16L8-H12 PolarHBondContact O-N 2.98Å; R9-H12 PolarHBondContact O-N 3.17Å; L10-H12 VanDerWaalsContact C-N 3.34Å; H12-Y14 VanDerWaalsContact C-N 3.3Å; H12-Y14 PolarHBondContact O-N 3.4Å; H12-Q15 WeakPolarHBondContact O-CB 3.49Å; H12-Q15 PolarHBondContact O-N 2.94Å; H12-Q15 VanDerWaalsContact O-N 3.16Å; H12-E16 PolarHBondContact O-N 3.33Å
13E97.1Very high94Very high9 Ų982.3 Ų82.34%0.04237%0.37CS..Hα-helixtrans-60-39.6177.8-74.5-169.9-13600112.9R9 L10 Q15 E16 L17 Y64 T111 V112R9-E13 IonicContact CZ-OE1 3.46Å; R9-E13 IonicContact NE-OE1 2.77Å; R9-E13 PolarHBondContact NE-OE1 3.44Å; R9-E13 IonicContact NH2-OE1 3.31Å; R9-E13 PolarHBondContact NH2-OE1 2.95Å; R9-E13 PolarHBondContact O-N 3.31Å; L10-E13 PolarHBondContact O-N 3.3Å; E13-Q15 VanDerWaalsContact C-N 3.35Å; E13-E16 PolarHBondContact O-N 3.43Å; E13-L17 WeakPolarHBondContact O-CB 3.33Å; E13-L17 WeakPolarHBondContact O-CG 3.39Å; E13-L17 PolarHBondContact O-N 2.92Å; E13-Y64 VanDerWaalsContact CD-OH 3.27Å; E13-Y64 WeakPolarHBondContact OE1-CE1 3.34Å; E13-Y64 PolarHBondContact OE1-OH 3.14Å; E13-Y64 PolarHBondContact OE2-OH 3.3Å; E13-T111 HydrophobicContact CG-CG2 4.42Å; E13-T111 WeakPolarHBondContact OE2-CA 3.44Å; E13-T111 WeakPolarHBondContact OE2-CB 3.3Å; E13-V112 WeakPolarHBondContact OE2-CG2 3.43Å; E13-V112 PolarHBondContact OE2-N 2.87Å
14Y96.4Very high94.2Very high56 Ų5681.1 Ų81.122%0.2236%0.364CS..Hα-helixtrans-63.4-42.3175.8-175.6-105.3000111.8L10 Q11 H12 L17 Q18 V27 F29 W37L10-Y14 WeakPolarHBondContact O-CB 3.4Å; L10-Y14 PolarHBondContact O-N 3.44Å; Q11-Y14 PolarHBondContact O-N 3.4Å; H12-Y14 VanDerWaalsContact C-N 3.3Å; H12-Y14 PolarHBondContact O-N 3.4Å; Y14-L17 WeakPolarHBondContact O-CB 3.09Å; Y14-L17 PolarHBondContact O-N 3.11Å; Y14-Q18 HydrophobicContact CD1-CG 4.12Å; Y14-Q18 HydrophobicContact CE1-CG 3.77Å; Y14-Q18 WeakPolarHBondContact O-CG 3.42Å; Y14-Q18 PolarHBondContact O-N 2.99Å; Y14-V27 HydrophobicContact CD2-CG2 4.21Å; Y14-V27 HydrophobicContact CE2-CG2 4.12Å; Y14-F29 AromaticContact CD1-CE1 3.64Å; Y14-F29 HydrophobicContact CD1-CE1 3.64Å; Y14-F29 HydrophobicContact CD1-CZ 4.25Å; Y14-F29 AromaticContact CD2-CD1 3.89Å; Y14-F29 HydrophobicContact CD2-CD1 3.89Å; Y14-F29 AromaticContact CD2-CE1 3.54Å; Y14-F29 HydrophobicContact CD2-CE1 3.54Å; Y14-F29 AromaticContact CE1-CE1 3.7Å; Y14-F29 HydrophobicContact CE1-CE1 3.7Å; Y14-F29 HydrophobicContact CE1-CZ 4.32Å; Y14-F29 AromaticContact CE2-CD1 3.84Å; Y14-F29 HydrophobicContact CE2-CD1 3.84Å; Y14-F29 AromaticContact CE2-CE1 3.62Å; Y14-F29 HydrophobicContact CE2-CE1 3.62Å; Y14-F29 HydrophobicContact CG-CD1 4.33Å; Y14-F29 AromaticContact CG-CE1 3.54Å; Y14-F29 HydrophobicContact CG-CE1 3.54Å; Y14-F29 HydrophobicContact CG-CZ 4.46Å; Y14-F29 AromaticContact CZ-CE1 3.69Å; Y14-W37 AromaticContact CD2-CH2 3.96Å; Y14-W37 HydrophobicContact CD2-CH2 3.96Å; Y14-W37 HydrophobicContact CD2-CZ2 4.23Å; Y14-W37 HydrophobicContact CD2-CZ3 4.18Å; Y14-W37 HydrophobicContact CG-CH2 4.32Å; Y14-W37 HydrophobicContact CG-CZ2 4.46Å
15Q95.1Very high94.3Very high114 Ų11472.4 Ų72.453%0.53333%0.331SS..Hα-helixtrans-62.3-42.2177-73.8171.2-4.500112.1Q11 H12 E13 Q18 K19Q11-Q15 VanDerWaalsContact O-CG 3.28Å; Q11-Q15 WeakPolarHBondContact O-CG 3.36Å; Q11-Q15 PolarHBondContact O-N 3.49Å; H12-Q15 WeakPolarHBondContact O-CB 3.49Å; H12-Q15 PolarHBondContact O-N 2.94Å; H12-Q15 VanDerWaalsContact O-N 3.16Å; E13-Q15 VanDerWaalsContact C-N 3.35Å; Q15-Q18 PolarHBondContact O-N 3.47Å; Q15-K19 WeakPolarHBondContact O-CG 3.44Å; Q15-K19 PolarHBondContact O-N 3.26Å
16E94.9Very high94.4Very high64 Ų6474 Ų7430%0.29933%0.333SS..Hα-helixtrans-62.5-45.6174.4-64-48.4115.300111.2H12 E13 Q18 K19 E20H12-E16 PolarHBondContact O-N 3.33Å; E13-E16 PolarHBondContact O-N 3.43Å; E16-Q18 PolarHBondContact O-N 3.08Å; E16-K19 WeakPolarHBondContact O-CB 3.29Å; E16-K19 PolarHBondContact O-N 2.97Å; E16-K19 IonicContact OE1-NZ 3.53Å; E16-K19 PolarHBondContact OE1-NZ 3.06Å; E16-K19 IonicContact OE2-NZ 2.8Å; E16-E20 PolarHBondContact O-N 3.06Å
17L94.7Very high94.4Very high12 Ų1274.4 Ų74.46%0.06334%0.335CS..Hα-helixtrans-59.6-27.3175.5-80.2168.3000113.9E13 Y14 F25 V27 W37 V112 E113E13-L17 WeakPolarHBondContact O-CB 3.33Å; E13-L17 WeakPolarHBondContact O-CG 3.39Å; E13-L17 PolarHBondContact O-N 2.92Å; Y14-L17 WeakPolarHBondContact O-CB 3.09Å; Y14-L17 PolarHBondContact O-N 3.11Å; L17-F25 HydrophobicContact CD2-CE2 3.91Å; L17-F25 HydrophobicContact CD2-CZ 4.34Å; L17-V27 HydrophobicContact CB-CG2 4.45Å; L17-V27 HydrophobicContact CD1-CG2 3.98Å; L17-W37 HydrophobicContact CD1-CH2 4.13Å; L17-W37 HydrophobicContact CD1-CZ3 3.62Å; L17-V112 HydrophobicContact CD1-CB 4.14Å; L17-V112 HydrophobicContact CD1-CG1 4.14Å; L17-E113 HydrophobicContact CD2-CB 3.64Å; L17-E113 HydrophobicContact CD2-CG 3.79Å; L17-E113 HydrophobicContact CG-CB 4.4Å
18Q92.1Very high94.4Very high110 Ų11075.3 Ų75.351%0.51434%0.34SS..Hα-helixtrans-80.9-20.5175-64.6-41.6-72.600113.2Y14 Q15 E16Y14-Q18 HydrophobicContact CD1-CG 4.12Å; Y14-Q18 HydrophobicContact CE1-CG 3.77Å; Y14-Q18 WeakPolarHBondContact O-CG 3.42Å; Y14-Q18 PolarHBondContact O-N 2.99Å; Q15-Q18 PolarHBondContact O-N 3.47Å; E16-Q18 PolarHBondContact O-N 3.08Å
19K92.4Very high94.4Very high146 Ų14673.5 Ų73.564%0.63533%0.328SS*.Hα-helixtrans-78.2-31.8176.8-68170.5-174.1171.50111.5Q15 E16Q15-K19 WeakPolarHBondContact O-CG 3.44Å; Q15-K19 PolarHBondContact O-N 3.26Å; E16-K19 WeakPolarHBondContact O-CB 3.29Å; E16-K19 PolarHBondContact O-N 2.97Å; E16-K19 IonicContact OE1-NZ 3.53Å; E16-K19 PolarHBondContact OE1-NZ 3.06Å; E16-K19 IonicContact OE2-NZ 2.8Å
20E88.2Confident94.2Very high100 Ų10078.2 Ų78.247%0.46735%0.35SS..SBendtrans-90.8143.4-179.5-62.1-165.4-175.100111.9E16 H22E16-E20 PolarHBondContact O-N 3.06Å; E20-H22 IonicContact OE2-CE1 3.85Å; E20-H22 PolarHBondContact OE2-CE1 3.09Å; E20-H22 VanDerWaalsContact OE2-CE1 3.26Å; E20-H22 IonicContact OE2-NE2 2.65Å
21K87Confident93.5Very high179 Ų17986.9 Ų86.978%0.77839%0.391SS*.  trans-97.890.2175.4-173.1-171.4171.5-156.50109E23K21-E23 IonicContact NZ-OE1 2.75Å; K21-E23 PolarHBondContact NZ-OE1 3.16Å
22H91.8Very high93.2Very high32 Ų3289.5 Ų89.515%0.14841%0.408CS..  trans-80.4130.1169-55.6-69.4000110.1E20 F25 E113E20-H22 IonicContact OE2-CE1 3.85Å; E20-H22 PolarHBondContact OE2-CE1 3.09Å; E20-H22 VanDerWaalsContact OE2-CE1 3.26Å; E20-H22 IonicContact OE2-NE2 2.65Å; H22-F25 HydrophobicContact CB-CD2 4.31Å; H22-F25 HydrophobicContact CB-CE1 4.21Å; H22-F25 HydrophobicContact CB-CE2 4Å; H22-F25 HydrophobicContact CB-CZ 3.94Å; H22-F25 AromaticContact CD2-CE2 3.66Å; H22-F25 AromaticContact CD2-CZ 3.71Å; H22-F25 AromaticContact CG-CE2 3.76Å; H22-F25 AromaticContact CG-CZ 3.5Å; H22-F25 AromaticContact ND1-CZ 3.75Å; H22-E113 IonicContact CE1-OE1 3.45Å; H22-E113 PolarHBondContact CE1-OE1 3.21Å; H22-E113 VanDerWaalsContact CE1-OE1 3.3Å
23E91.1Very high93.1Very high115 Ų11587.1 Ų87.154%0.53740%0.398SS..SBendtrans-91.5-21.4177.6-60.6-161.7155.300111.7K21 R42K21-E23 IonicContact NZ-OE1 2.75Å; K21-E23 PolarHBondContact NZ-OE1 3.16Å; E23-R42 VanDerWaalsContact O-CD 3.29Å; E23-R42 WeakPolarHBondContact O-CD 3.4Å; E23-R42 PolarHBondContact O-NH1 3.17Å
24E93.4Very high93.1Very high74 Ų7487.1 Ų87.135%0.34640%0.398SS..SBendtrans-84.6-30-172.8-5691.7145.800112.2M41 R42E24-M41 CarbonylContact O-C 3.14Å; E24-M41 WeakPolarHBondContact O-CA 3.43Å; E24-R42 PolarHBondContact O-N 3.33Å
25F96.7Very high93.2Very high8 Ų885.4 Ų85.44%0.03539%0.393CS..EExtended strand (participates in β ladder)trans-151.5163.1-179.161.5-98.5000113.8L17 H22 V27 E40 E113 L116 L117L17-F25 HydrophobicContact CD2-CE2 3.91Å; L17-F25 HydrophobicContact CD2-CZ 4.34Å; H22-F25 HydrophobicContact CB-CD2 4.31Å; H22-F25 HydrophobicContact CB-CE1 4.21Å; H22-F25 HydrophobicContact CB-CE2 4Å; H22-F25 HydrophobicContact CB-CZ 3.94Å; H22-F25 AromaticContact CD2-CE2 3.66Å; H22-F25 AromaticContact CD2-CZ 3.71Å; H22-F25 AromaticContact CG-CE2 3.76Å; H22-F25 AromaticContact CG-CZ 3.5Å; H22-F25 AromaticContact ND1-CZ 3.75Å; F25-V27 HydrophobicContact CD2-CG1 4.46Å; F25-E40 CarbonylContact C-O 3.55Å; F25-E40 WeakPolarHBondContact CA-O 3.37Å; F25-E40 WeakPolarHBondContact CB-O 3.21Å; F25-E113 HydrophobicContact CZ-CG 4.13Å; F25-L116 HydrophobicContact CD1-CB 3.66Å; F25-L116 HydrophobicContact CD2-CB 4.12Å; F25-L116 HydrophobicContact CD2-CD1 3.47Å; F25-L116 VanDerWaalsContact CD2-CD1 3.47Å; F25-L116 HydrophobicContact CD2-CG 4.41Å; F25-L116 HydrophobicContact CE1-CB 3.65Å; F25-L116 HydrophobicContact CE2-CB 4.12Å; F25-L116 HydrophobicContact CE2-CD1 3.67Å; F25-L116 HydrophobicContact CG-CB 3.91Å; F25-L116 HydrophobicContact CG-CD1 3.94Å; F25-L116 HydrophobicContact CG-CG 4.47Å; F25-L116 HydrophobicContact CZ-CB 3.89Å; F25-L116 HydrophobicContact CZ-CD1 4.28Å; F25-L117 HydrophobicContact CE1-CD2 3.85Å; F25-L117 HydrophobicContact CE1-CG 3.98Å; F25-L117 HydrophobicContact CZ-CG 4.5Å
26K95.9Very high93.3Very high95 Ų9582.8 Ų82.841%0.41338%0.382SS..EExtended strand (participates in β ladder)trans-134.6151169.7-59.7-177.8-175.1174.20109.6Y28 F39 E40K26-Y28 HydrophobicContact CB-CE2 3.75Å; K26-Y28 WeakPolarHBondContact CB-OH 3.42Å; K26-Y28 WeakPolarHBondContact CD-OH 3.46Å; K26-F39 CarbonylContact O-C 3.52Å; K26-F39 WeakPolarHBondContact O-CA 3.2Å; K26-E40 PolarHBondContact N-O 2.73Å; K26-E40 PolarHBondContact O-N 3.15Å
27V96.9Very high93.4Very high7 Ų779.8 Ų79.84%0.04237%0.368CS..EExtended strand (participates in β ladder)trans-128.9146.8178.9-650000111.8Y14 L17 F25 W37 T38 F39 L116Y14-V27 HydrophobicContact CD2-CG2 4.21Å; Y14-V27 HydrophobicContact CE2-CG2 4.12Å; L17-V27 HydrophobicContact CB-CG2 4.45Å; L17-V27 HydrophobicContact CD1-CG2 3.98Å; F25-V27 HydrophobicContact CD2-CG1 4.46Å; V27-W37 HydrophobicContact CB-CE3 3.95Å; V27-W37 HydrophobicContact CB-CZ3 4.34Å; V27-W37 HydrophobicContact CG1-CE3 4.26Å; V27-W37 HydrophobicContact CG2-CE3 4.15Å; V27-W37 HydrophobicContact CG2-CZ3 4.04Å; V27-T38 CarbonylContact C-O 3.59Å; V27-T38 WeakPolarHBondContact CA-O 3.39Å; V27-F39 HydrophobicContact CG1-CB 4.13Å; V27-L116 HydrophobicContact CG1-CD1 3.39Å
28Y95Very high93.6Very high110 Ų11081.9 Ų81.943%0.43138%0.382SS..EExtended strand (participates in β ladder)trans-146.1156-178.3-46.8-85.1000109.5K26 W37 T38K26-Y28 HydrophobicContact CB-CE2 3.75Å; K26-Y28 WeakPolarHBondContact CB-OH 3.42Å; K26-Y28 WeakPolarHBondContact CD-OH 3.46Å; Y28-W37 CarbonylContact O-C 3.49Å; Y28-W37 VanDerWaalsContact O-CA 3.25Å; Y28-W37 WeakPolarHBondContact O-CA 3.29Å; Y28-W37 WeakPolarHBondContact O-CB 3.36Å; Y28-T38 PolarHBondContact N-O 3.3Å; Y28-T38 PolarHBondContact O-N 3.21Å
29F96.1Very high93.9Very high58 Ų5876.7 Ų76.725%0.25436%0.357SS..EExtended strand (participates in β ladder)trans-148.4161.7167.363.6-86.4000109.2Y14 I34 N36 W37Y14-F29 AromaticContact CD1-CE1 3.64Å; Y14-F29 HydrophobicContact CD1-CE1 3.64Å; Y14-F29 HydrophobicContact CD1-CZ 4.25Å; Y14-F29 AromaticContact CD2-CD1 3.89Å; Y14-F29 HydrophobicContact CD2-CD1 3.89Å; Y14-F29 AromaticContact CD2-CE1 3.54Å; Y14-F29 HydrophobicContact CD2-CE1 3.54Å; Y14-F29 AromaticContact CE1-CE1 3.7Å; Y14-F29 HydrophobicContact CE1-CE1 3.7Å; Y14-F29 HydrophobicContact CE1-CZ 4.32Å; Y14-F29 AromaticContact CE2-CD1 3.84Å; Y14-F29 HydrophobicContact CE2-CD1 3.84Å; Y14-F29 AromaticContact CE2-CE1 3.62Å; Y14-F29 HydrophobicContact CE2-CE1 3.62Å; Y14-F29 HydrophobicContact CG-CD1 4.33Å; Y14-F29 AromaticContact CG-CE1 3.54Å; Y14-F29 HydrophobicContact CG-CE1 3.54Å; Y14-F29 HydrophobicContact CG-CZ 4.46Å; Y14-F29 AromaticContact CZ-CE1 3.69Å; F29-I34 HydrophobicContact CD2-CB 4.15Å; F29-I34 HydrophobicContact CD2-CG1 4.22Å; F29-I34 HydrophobicContact CE1-CG1 4.48Å; F29-I34 HydrophobicContact CE2-CB 4.1Å; F29-I34 HydrophobicContact CE2-CG1 4Å; F29-I34 HydrophobicContact CZ-CD1 4.39Å; F29-I34 HydrophobicContact CZ-CG1 4.15Å; F29-N36 WeakPolarHBondContact CB-O 3.33Å; F29-W37 HydrophobicContact CB-CB 4.49Å; F29-W37 HydrophobicContact CB-CG 4.06Å; F29-W37 HydrophobicContact CD1-CD2 4.49Å; F29-W37 AromaticContact CD1-NE1 3.91Å; F29-W37 AromaticContact CG-CD1 4Å
30K92.5Very high94.1Very high163 Ų16371.4 Ų71.471%0.70934%0.335SS*.  trans-77146.6177.9-61.5177.8-178.1174.10109.7N32 D33K30-N32 PolarHBondContact O-N 3.08Å; K30-D33 HydrophobicContact CB-CB 4.18Å; K30-D33 PolarHBondContact O-N 2.82Å
31E84.4Confident94.6Very high182 Ų18266.6 Ų66.685%0.8531%0.313SS*.THydrogen-bonded Turntrans-46.7-30.8-172.2-169.3175178.900115.4
32N89.4Confident95Very high141 Ų14163.6 Ų63.675%0.75430%0.296SS*.THydrogen-bonded Turntrans-113.611.2-179.5-66.1-53.6000114.9K30K30-N32 PolarHBondContact O-N 3.08Å
33D94.7Very high95.3Very high55 Ų5562.4 Ų62.429%0.29429%0.293SS..  trans-131.857.3-173.1-165.87.9000112.6K30 M35 N36K30-D33 HydrophobicContact CB-CB 4.18Å; K30-D33 PolarHBondContact O-N 2.82Å; D33-M35 PolarHBondContact O-N 2.88Å; D33-M35 VanDerWaalsContact O-N 3.08Å; D33-N36 VanDerWaalsContact CG-ND2 3.3Å; D33-N36 PolarHBondContact O-N 2.83Å; D33-N36 VanDerWaalsContact O-N 3.15Å; D33-N36 VanDerWaalsContact O-O 3.06Å; D33-N36 PolarHBondContact OD1-ND2 2.85Å; D33-N36 PolarHBondContact OD2-ND2 2.79Å; D33-N36 VanDerWaalsContact OD2-ND2 3.16Å
34I96.7Very high95.6Very high8 Ų857.6 Ų57.64%0.04127%0.271CS..THydrogen-bonded Turntrans-63.9-12.6178.3-159.1173.7000113.6R7 L10 Q11 F29 N36 W37R7-I34 HydrophobicContact CB-CG2 4.11Å; R7-I34 HydrophobicContact CG-CG2 3.75Å; L10-I34 HydrophobicContact CB-CD1 3.93Å; L10-I34 HydrophobicContact CB-CG1 4Å; Q11-I34 HydrophobicContact CB-CD1 4.13Å; Q11-I34 HydrophobicContact CG-CD1 3.26Å; F29-I34 HydrophobicContact CD2-CB 4.15Å; F29-I34 HydrophobicContact CD2-CG1 4.22Å; F29-I34 HydrophobicContact CE1-CG1 4.48Å; F29-I34 HydrophobicContact CE2-CB 4.1Å; F29-I34 HydrophobicContact CE2-CG1 4Å; F29-I34 HydrophobicContact CZ-CD1 4.39Å; F29-I34 HydrophobicContact CZ-CG1 4.15Å; I34-N36 VanDerWaalsContact C-N 3.32Å; I34-W37 VanDerWaalsContact O-CD1 3.24Å; I34-W37 PolarHBondContact O-NE1 3.26Å
35M97.3Very high95.7Very high20 Ų2059.2 Ų59.210%0.09929%0.288CS..THydrogen-bonded Turntrans-85.2-6.4178.8-59-59-66.800112.7A6 R7 L10 D33 F60 P61A6-M35 HydrophobicContact CB-CE 4.14Å; A6-M35 HydrophobicContact CB-SD 4.43Å; R7-M35 HydrophobicContact CG-SD 3.87Å; L10-M35 HydrophobicContact CD1-CE 4.32Å; L10-M35 HydrophobicContact CD1-SD 3.58Å; L10-M35 VanDerWaalsContact CD1-SD 3.58Å; D33-M35 PolarHBondContact O-N 2.88Å; D33-M35 VanDerWaalsContact O-N 3.08Å; M35-F60 HydrophobicContact CE-CB 3.84Å; M35-F60 WeakPolarHBondContact CE-O 3.25Å; M35-F60 WeakPolarHBondContact O-CD2 3.35Å; M35-F60 PolarHBondContact O-N 3.01Å; M35-P61 WeakPolarHBondContact CE-O 3.45Å
36N98Very high95.7Very high59 Ų5962.4 Ų62.432%0.31632%0.324SS..EExtended strand (participates in β ladder)trans-133.4111.2176.4-59-83.3000109.6F29 D33 I34 I58 K59F29-N36 WeakPolarHBondContact CB-O 3.33Å; D33-N36 VanDerWaalsContact CG-ND2 3.3Å; D33-N36 PolarHBondContact O-N 2.83Å; D33-N36 VanDerWaalsContact O-N 3.15Å; D33-N36 VanDerWaalsContact O-O 3.06Å; D33-N36 PolarHBondContact OD1-ND2 2.85Å; D33-N36 PolarHBondContact OD2-ND2 2.79Å; D33-N36 VanDerWaalsContact OD2-ND2 3.16Å; I34-N36 VanDerWaalsContact C-N 3.32Å; N36-I58 WeakPolarHBondContact CA-O 3.44Å; N36-K59 WeakPolarHBondContact OD1-CG 3.45Å
37W98.2Very high95.7Very high1 Ų159.3 Ų59.30%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-105.3153.4177.1-62.914.7000110.2L10 Y14 L17 V27 Y28 F29 I34 D57 I58 F60 V112L10-W37 HydrophobicContact CB-CZ2 4.27Å; L10-W37 HydrophobicContact CD2-CZ2 4.29Å; Y14-W37 AromaticContact CD2-CH2 3.96Å; Y14-W37 HydrophobicContact CD2-CH2 3.96Å; Y14-W37 HydrophobicContact CD2-CZ2 4.23Å; Y14-W37 HydrophobicContact CD2-CZ3 4.18Å; Y14-W37 HydrophobicContact CG-CH2 4.32Å; Y14-W37 HydrophobicContact CG-CZ2 4.46Å; L17-W37 HydrophobicContact CD1-CH2 4.13Å; L17-W37 HydrophobicContact CD1-CZ3 3.62Å; V27-W37 HydrophobicContact CB-CE3 3.95Å; V27-W37 HydrophobicContact CB-CZ3 4.34Å; V27-W37 HydrophobicContact CG1-CE3 4.26Å; V27-W37 HydrophobicContact CG2-CE3 4.15Å; V27-W37 HydrophobicContact CG2-CZ3 4.04Å; Y28-W37 CarbonylContact O-C 3.49Å; Y28-W37 VanDerWaalsContact O-CA 3.25Å; Y28-W37 WeakPolarHBondContact O-CA 3.29Å; Y28-W37 WeakPolarHBondContact O-CB 3.36Å; F29-W37 HydrophobicContact CB-CB 4.49Å; F29-W37 HydrophobicContact CB-CG 4.06Å; F29-W37 HydrophobicContact CD1-CD2 4.49Å; F29-W37 AromaticContact CD1-NE1 3.91Å; F29-W37 AromaticContact CG-CD1 4Å; I34-W37 VanDerWaalsContact O-CD1 3.24Å; I34-W37 PolarHBondContact O-NE1 3.26Å; W37-D57 CarbonylContact O-C 3.5Å; W37-D57 VanDerWaalsContact O-CA 3.27Å; W37-D57 WeakPolarHBondContact O-CA 3.47Å; W37-I58 HydrophobicContact CB-CB 4.25Å; W37-I58 PolarHBondContact N-O 2.91Å; W37-I58 PolarHBondContact O-N 2.78Å; W37-F60 HydrophobicContact CB-CE2 4.16Å; W37-F60 AromaticContact CD1-CE2 3.56Å; W37-F60 AromaticContact CD2-CE2 3.77Å; W37-F60 HydrophobicContact CD2-CE2 3.77Å; W37-F60 HydrophobicContact CD2-CZ 4.05Å; W37-F60 AromaticContact CE2-CE2 3.86Å; W37-F60 HydrophobicContact CE3-CZ 4.36Å; W37-F60 AromaticContact CG-CE2 3.58Å; W37-F60 HydrophobicContact CG-CE2 3.58Å; W37-F60 HydrophobicContact CG-CZ 4.28Å; W37-F60 AromaticContact NE1-CE2 3.69Å; W37-V112 HydrophobicContact CE3-CG1 3.95Å; W37-V112 HydrophobicContact CE3-CG2 4.48Å; W37-V112 HydrophobicContact CH2-CG2 4.28Å; W37-V112 HydrophobicContact CZ3-CB 4.05Å; W37-V112 HydrophobicContact CZ3-CG1 3.71Å; W37-V112 HydrophobicContact CZ3-CG2 4.02Å
38T97.9Very high95.7Very high57 Ų5760.7 Ų60.735%0.3532%0.319SS..EExtended strand (participates in β ladder)trans-110.2136.5166-600000108V27 Y28 G56 D57V27-T38 CarbonylContact C-O 3.59Å; V27-T38 WeakPolarHBondContact CA-O 3.39Å; Y28-T38 PolarHBondContact N-O 3.3Å; Y28-T38 PolarHBondContact O-N 3.21Å; T38-G56 CarbonylContact C-O 3.43Å; T38-G56 VanDerWaalsContact CA-O 3.27Å; T38-G56 WeakPolarHBondContact CA-O 3.4Å; T38-G56 WeakPolarHBondContact CG2-O 3.22Å; T38-D57 PolarHBondContact OG1-OD1 3.36Å; T38-D57 VanDerWaalsContact OG1-OD1 3.13Å
39F97.9Very high95.8Very high0 Ų055.5 Ų55.50%030%0.299CS..EExtended strand (participates in β ladder)trans-114.4151.3172.171.7-89.5000111.2K26 V27 M41 K55 G56 I58 V71 F73 L116 L119K26-F39 CarbonylContact O-C 3.52Å; K26-F39 WeakPolarHBondContact O-CA 3.2Å; V27-F39 HydrophobicContact CG1-CB 4.13Å; F39-M41 HydrophobicContact CD2-CB 3.96Å; F39-M41 HydrophobicContact CE2-CB 4.03Å; F39-M41 HydrophobicContact CE2-CE 4.46Å; F39-K55 VanDerWaalsContact O-CA 3.31Å; F39-K55 WeakPolarHBondContact O-CA 3.43Å; F39-G56 VanDerWaalsContact CD1-O 3.3Å; F39-G56 WeakPolarHBondContact CD1-O 3.43Å; F39-G56 VanDerWaalsContact CE1-CA 3.4Å; F39-G56 PolarHBondContact N-O 2.86Å; F39-G56 PolarHBondContact O-N 2.81Å; F39-I58 HydrophobicContact CD1-CD1 4.18Å; F39-I58 HydrophobicContact CD1-CG1 3.74Å; F39-I58 HydrophobicContact CE1-CG1 4.33Å; F39-V71 HydrophobicContact CE1-CG1 3.77Å; F39-V71 HydrophobicContact CZ-CG1 4.15Å; F39-F73 HydrophobicContact CE2-CD1 4.2Å; F39-F73 AromaticContact CE2-CE1 3.71Å; F39-F73 HydrophobicContact CE2-CE1 3.71Å; F39-F73 HydrophobicContact CE2-CZ 4.18Å; F39-F73 HydrophobicContact CZ-CD1 4.02Å; F39-F73 AromaticContact CZ-CE1 3.84Å; F39-F73 HydrophobicContact CZ-CE1 3.84Å; F39-F73 HydrophobicContact CZ-CG 4.46Å; F39-F73 HydrophobicContact CZ-CZ 4.15Å; F39-L116 HydrophobicContact CB-CD2 4.1Å; F39-L116 HydrophobicContact CD1-CD2 4.29Å; F39-L116 HydrophobicContact CD2-CD2 4.07Å; F39-L116 HydrophobicContact CG-CD2 3.9Å; F39-L119 HydrophobicContact CE2-CD2 4.3Å; F39-L119 HydrophobicContact CZ-CD2 4.12Å
40E97.2Very high95.9Very high35 Ų3556.6 Ų56.616%0.16431%0.305CS..EExtended strand (participates in β ladder)trans-119.9121166.3-178.1175.4112.200107.3F25 K26 I53 K55F25-E40 CarbonylContact C-O 3.55Å; F25-E40 WeakPolarHBondContact CA-O 3.37Å; F25-E40 WeakPolarHBondContact CB-O 3.21Å; K26-E40 PolarHBondContact N-O 2.73Å; K26-E40 PolarHBondContact O-N 3.15Å; E40-I53 VanDerWaalsContact CD-CG2 3.41Å; E40-I53 HydrophobicContact CG-CG2 3.28Å; E40-K55 HydrophobicContact CG-CG 4.41Å; E40-K55 WeakPolarHBondContact OE2-CE 3.27Å; E40-K55 IonicContact OE2-NZ 3.47Å
41M97.6Very high96Very high0 Ų054.5 Ų54.50%030%0.301CS..EExtended strand (participates in β ladder)trans-118.2129.8-177179.2173-70.100110.2E24 F39 F54 L116 L119 L123E24-M41 CarbonylContact O-C 3.14Å; E24-M41 WeakPolarHBondContact O-CA 3.43Å; F39-M41 HydrophobicContact CD2-CB 3.96Å; F39-M41 HydrophobicContact CE2-CB 4.03Å; F39-M41 HydrophobicContact CE2-CE 4.46Å; M41-F54 PolarHBondContact N-O 2.78Å; M41-F54 PolarHBondContact O-N 2.76Å; M41-L116 HydrophobicContact CE-CB 4.34Å; M41-L116 HydrophobicContact CE-CD2 3.98Å; M41-L116 WeakPolarHBondContact CE-O 3.27Å; M41-L119 HydrophobicContact CE-CB 3.92Å; M41-L119 HydrophobicContact CE-CD2 3.75Å; M41-L119 HydrophobicContact CE-CG 3.78Å; M41-L119 HydrophobicContact SD-CD2 4.22Å; M41-L119 HydrophobicContact SD-CG 3.94Å; M41-L123 HydrophobicContact CG-CD1 4.46Å; M41-L123 HydrophobicContact SD-CD1 3.72Å
42R97.1Very high96.6Very high116 Ų11645.9 Ų45.944%0.43826%0.261SS..EExtended strand (participates in β ladder)trans-82.2140.5171.7-62.1-172.3-179.6153.4-16.2109.6E23 E24 G52E23-R42 VanDerWaalsContact O-CD 3.29Å; E23-R42 WeakPolarHBondContact O-CD 3.4Å; E23-R42 PolarHBondContact O-NH1 3.17Å; E24-R42 PolarHBondContact O-N 3.33Å; R42-G52 WeakPolarHBondContact CA-O 3.41Å
43G97.2Very high97Very high7 Ų741 Ų417%0.07224%0.235CC..PPolyproline II helixtrans-59.213217000000111.1Y49 G52G43-Y49 WeakPolarHBondContact CA-O 3.3Å; G43-G52 PolarHBondContact N-O 2.77Å
44P97.3Very high97.1Very high13 Ų1338.3 Ų38.38%0.08422%0.221CC..PPolyproline II helixtrans-63.1142.3-176.2-18.328.2000111.9T47 S120 L123 A124P44-T47 HydrophobicContact CB-CG2 3.81Å; P44-T47 HydrophobicContact CG-CG2 4.36Å; P44-T47 WeakPolarHBondContact O-CB 3.4Å; P44-T47 WeakPolarHBondContact O-CG2 3.45Å; P44-T47 PolarHBondContact O-N 2.64Å; P44-T47 PolarHBondContact O-OG1 2.69Å; P44-S120 WeakPolarHBondContact CG-O 3.11Å; P44-L123 HydrophobicContact CG-CB 4.11Å; P44-A124 HydrophobicContact CG-CB 4.47Å
45P96.1Very high97.1Very high109 Ų10941 Ų4171%0.70823%0.232SC*.THydrogen-bonded Turntrans-59.2144.6176.5-2232.8000112.5T47P45-T47 PolarHBondContact O-N 2.78Å
46G95.6Very high97.2Very high75 Ų7540.1 Ų40.177%0.77323%0.227SC*.THydrogen-bonded Turntrans75.88.7-179.700000114.3E50G46-E50 PolarHBondContact N-OE2 3.48Å
47T96.6Very high97.2Very high29 Ų2940.9 Ų40.918%0.17823%0.232CC..SBendtrans-111.6164.517976.60000111.6P44 P45 Y49 E50 A124P44-T47 HydrophobicContact CB-CG2 3.81Å; P44-T47 HydrophobicContact CG-CG2 4.36Å; P44-T47 WeakPolarHBondContact O-CB 3.4Å; P44-T47 WeakPolarHBondContact O-CG2 3.45Å; P44-T47 PolarHBondContact O-N 2.64Å; P44-T47 PolarHBondContact O-OG1 2.69Å; P45-T47 PolarHBondContact O-N 2.78Å; T47-Y49 PolarHBondContact O-N 2.79Å; T47-Y49 VanDerWaalsContact O-N 3.14Å; T47-Y49 PolarHBondContact OG1-N 3.34Å; T47-E50 WeakPolarHBondContact O-CB 3.35Å; T47-E50 PolarHBondContact O-N 2.81Å; T47-E50 VanDerWaalsContact O-N 3.09Å; T47-E50 PolarHBondContact OG1-N 2.97Å; T47-A124 HydrophobicContact CG2-CB 3.69Å
48I96.9Very high97.2Very high36 Ų3640.9 Ų40.919%0.18523%0.232CC..THydrogen-bonded Turntrans-65.4-14.1173.6-167.962.1000113Y147 D148 V151 K152I48-Y147 HydrophobicContact CG2-CE1 4.3Å; I48-D148 HydrophobicContact CD1-CB 3.77Å; I48-D148 HydrophobicContact CG1-CB 4.1Å; I48-V151 HydrophobicContact CB-CG1 4.26Å; I48-V151 HydrophobicContact CG1-CB 3.8Å; I48-V151 HydrophobicContact CG1-CG1 3.8Å; I48-V151 HydrophobicContact CG2-CB 4.24Å; I48-V151 HydrophobicContact CG2-CG1 3.77Å; I48-V151 HydrophobicContact CG2-CG2 4.33Å; I48-K152 HydrophobicContact CD1-CD 4.45Å; I48-K152 HydrophobicContact CD1-CG 4.03Å
49Y97.7Very high97.2Very high1 Ų144.5 Ų44.50%0.00424%0.243CC..THydrogen-bonded Turntrans-89.4-9.3176.6-63.6-82000113.1G43 T47 G52 F54 M77 F78 H79 L123 Y147 V151G43-Y49 WeakPolarHBondContact CA-O 3.3Å; T47-Y49 PolarHBondContact O-N 2.79Å; T47-Y49 VanDerWaalsContact O-N 3.14Å; T47-Y49 PolarHBondContact OG1-N 3.34Å; Y49-G52 PolarHBondContact O-N 3.13Å; Y49-F54 HydrophobicContact CD1-CE2 4.23Å; Y49-F54 AromaticContact CD1-CZ 3.9Å; Y49-F54 HydrophobicContact CD1-CZ 3.9Å; Y49-M77 HydrophobicContact CD1-CE 4.47Å; Y49-M77 HydrophobicContact CE1-CE 4.27Å; Y49-F78 PolarHBondContact OH-O 3.08Å; Y49-H79 AromaticContact CE2-CD2 3.91Å; Y49-H79 AromaticContact CZ-CD2 3.63Å; Y49-H79 WeakPolarHBondContact OH-CB 3.27Å; Y49-H79 PolarHBondContact OH-CD2 3.21Å; Y49-L123 HydrophobicContact CD1-CD2 4.44Å; Y49-L123 HydrophobicContact CD2-CB 4.15Å; Y49-L123 VanDerWaalsContact CD2-O 3.23Å; Y49-L123 WeakPolarHBondContact CD2-O 3.45Å; Y49-L123 HydrophobicContact CE1-CD2 4.39Å; Y49-L123 VanDerWaalsContact CE2-O 3.24Å; Y49-L123 WeakPolarHBondContact CE2-O 3.45Å; Y49-L123 HydrophobicContact CG-CB 4.49Å; Y49-Y147 PolarHBondContact OH-OH 3.23Å; Y49-V151 HydrophobicContact CD1-CG1 3.59Å; Y49-V151 HydrophobicContact CD2-CG1 4.47Å; Y49-V151 HydrophobicContact CE1-CG1 3.41Å; Y49-V151 VanDerWaalsContact CE1-CG1 3.41Å; Y49-V151 HydrophobicContact CE1-CG2 4.32Å; Y49-V151 HydrophobicContact CE2-CG1 4.32Å; Y49-V151 HydrophobicContact CG-CG1 4.12Å
50E96.7Very high97.2Very high81 Ų8144.9 Ų44.938%0.37924%0.244SC..THydrogen-bonded Turntrans-49.7144.1-176.7-172.5176167.600111.9G46 T47 G52G46-E50 PolarHBondContact N-OE2 3.48Å; T47-E50 WeakPolarHBondContact O-CB 3.35Å; T47-E50 PolarHBondContact O-N 2.81Å; T47-E50 VanDerWaalsContact O-N 3.09Å; T47-E50 PolarHBondContact OG1-N 2.97Å; E50-G52 PolarHBondContact O-N 2.78Å
51N95.4Very high97.1Very high119 Ų11945 Ų4564%0.63625%0.248SC*.THydrogen-bonded Turntrans70-10.1-173.1-51.2-65000115.6I159N51-I159 VanDerWaalsContact O-CD1 3.32Å; N51-I159 WeakPolarHBondContact O-CD1 3.5Å
52G97.1Very high97.1Very high1 Ų149.1 Ų49.11%0.0127%0.273CS..  trans-68.2149.717300000112.8R42 G43 Y49 E50 S158R42-G52 WeakPolarHBondContact CA-O 3.41Å; G43-G52 PolarHBondContact N-O 2.77Å; Y49-G52 PolarHBondContact O-N 3.13Å; E50-G52 PolarHBondContact O-N 2.78Å; G52-S158 WeakPolarHBondContact CA-OG 3.42Å
53I97Very high97Very high38 Ų3845.3 Ų45.320%0.19527%0.265CS..EExtended strand (participates in β ladder)trans-127.5101.1172.9-56.7176.4000109E40 S158 Q162E40-I53 VanDerWaalsContact CD-CG2 3.41Å; E40-I53 HydrophobicContact CG-CG2 3.28Å; I53-S158 PolarHBondContact N-OG 2.72Å; I53-S158 VanDerWaalsContact O-CB 3.29Å; I53-S158 WeakPolarHBondContact O-CB 3.43Å; I53-Q162 VanDerWaalsContact CG2-NE2 3.32Å
54F97.7Very high97Very high0 Ų045 Ų450%026%0.261CS..EExtended strand (participates in β ladder)trans-101.6126-172.2-51.5-73.3000110.9M41 Y49 F73 M77 L123 T154 V155M41-F54 PolarHBondContact N-O 2.78Å; M41-F54 PolarHBondContact O-N 2.76Å; Y49-F54 HydrophobicContact CD1-CE2 4.23Å; Y49-F54 AromaticContact CD1-CZ 3.9Å; Y49-F54 HydrophobicContact CD1-CZ 3.9Å; F54-F73 HydrophobicContact CB-CD1 3.88Å; F54-F73 HydrophobicContact CB-CE1 3.58Å; F54-F73 HydrophobicContact CG-CE1 4.47Å; F54-M77 HydrophobicContact CB-SD 4.13Å; F54-M77 HydrophobicContact CD1-CE 3.94Å; F54-M77 HydrophobicContact CD1-SD 3.23Å; F54-M77 WeakPolarHBondContact CD1-SD 3.34Å; F54-M77 HydrophobicContact CD2-CE 4.44Å; F54-M77 HydrophobicContact CE1-CE 4.16Å; F54-M77 HydrophobicContact CE1-SD 3.74Å; F54-M77 HydrophobicContact CG-CE 4.08Å; F54-M77 HydrophobicContact CG-SD 3.75Å; F54-L123 HydrophobicContact CD2-CD1 4.49Å; F54-T154 HydrophobicContact CE1-CG2 4.14Å; F54-V155 HydrophobicContact CZ-CG2 4.08Å
55K97.3Very high96.9Very high65 Ų6544.9 Ų44.928%0.28326%0.261SS..EExtended strand (participates in β ladder)trans-101.7148.7177.9-63.9-177.2-179.3-176.80110.3F39 E40 A74 S75F39-K55 VanDerWaalsContact O-CA 3.31Å; F39-K55 WeakPolarHBondContact O-CA 3.43Å; E40-K55 HydrophobicContact CG-CG 4.41Å; E40-K55 WeakPolarHBondContact OE2-CE 3.27Å; E40-K55 IonicContact OE2-NZ 3.47Å; K55-A74 PolarHBondContact O-N 2.79Å; K55-S75 PolarHBondContact N-OG 3.32Å; K55-S75 PolarHBondContact O-N 2.97Å
56G97.8Very high96.9Very high0 Ų045 Ų450%025%0.25CC..EExtended strand (participates in β ladder)trans-163.8-179.9174.300000112.6T38 F39 T72T38-G56 CarbonylContact C-O 3.43Å; T38-G56 VanDerWaalsContact CA-O 3.27Å; T38-G56 WeakPolarHBondContact CA-O 3.4Å; T38-G56 WeakPolarHBondContact CG2-O 3.22Å; F39-G56 VanDerWaalsContact CD1-O 3.3Å; F39-G56 WeakPolarHBondContact CD1-O 3.43Å; F39-G56 VanDerWaalsContact CE1-CA 3.4Å; F39-G56 PolarHBondContact N-O 2.86Å; F39-G56 PolarHBondContact O-N 2.81Å; G56-T72 CarbonylContact C-O 3.51Å; G56-T72 WeakPolarHBondContact CA-O 3.32Å
57D98.1Very high96.8Very high75 Ų7543 Ų4340%0.40122%0.224SC..EExtended strand (participates in β ladder)trans-120.9146.2-175.1-58.5-65.8000110.7W37 T38 V71 T72W37-D57 CarbonylContact O-C 3.5Å; W37-D57 VanDerWaalsContact O-CA 3.27Å; W37-D57 WeakPolarHBondContact O-CA 3.47Å; T38-D57 PolarHBondContact OG1-OD1 3.36Å; T38-D57 VanDerWaalsContact OG1-OD1 3.13Å; D57-V71 WeakPolarHBondContact O-CA 3.33Å; D57-T72 PolarHBondContact N-O 3.1Å; D57-T72 PolarHBondContact O-N 3.33Å
58I98.4Very high96.8Very high2 Ų242.6 Ų42.61%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-120.6113.9173.6-45.7-179.1000107.3N36 W37 F39 F60 P69 V70 V71 V112 L116N36-I58 WeakPolarHBondContact CA-O 3.44Å; W37-I58 HydrophobicContact CB-CB 4.25Å; W37-I58 PolarHBondContact N-O 2.91Å; W37-I58 PolarHBondContact O-N 2.78Å; F39-I58 HydrophobicContact CD1-CD1 4.18Å; F39-I58 HydrophobicContact CD1-CG1 3.74Å; F39-I58 HydrophobicContact CE1-CG1 4.33Å; I58-F60 HydrophobicContact CB-CE2 4.14Å; I58-F60 HydrophobicContact CB-CZ 4.11Å; I58-F60 HydrophobicContact CG2-CE1 3.8Å; I58-F60 HydrophobicContact CG2-CE2 3.78Å; I58-F60 HydrophobicContact CG2-CZ 3.38Å; I58-P69 HydrophobicContact CG2-CB 3.52Å; I58-P69 HydrophobicContact CG2-CG 4.08Å; I58-V70 WeakPolarHBondContact CA-O 3.42Å; I58-V71 HydrophobicContact CG2-CG2 4.32Å; I58-V112 HydrophobicContact CD1-CG1 3.74Å; I58-L116 HydrophobicContact CD1-CD1 4.39Å; I58-L116 HydrophobicContact CD1-CD2 4.16Å; I58-L116 HydrophobicContact CD1-CG 4.43Å
59K98Very high96.9Very high132 Ų13241 Ų4157%0.57421%0.214SC*.EExtended strand (participates in β ladder)trans-106.3119.2178.3-178.4168.2-174.3176.80110.5N36 P69 V70N36-K59 WeakPolarHBondContact OD1-CG 3.45Å; K59-P69 CarbonylContact O-C 3.26Å; K59-P69 WeakPolarHBondContact O-CA 3.5Å; K59-V70 HydrophobicContact CB-CB 4.5Å; K59-V70 PolarHBondContact N-O 2.88Å; K59-V70 PolarHBondContact O-N 2.88Å
60F98Very high96.9Very high9 Ų944.6 Ų44.64%0.03924%0.236CC..  trans-91.8133.8-178.3-59.6-82.5000111L10 M35 W37 I58 Y64 P69 V112L10-F60 HydrophobicContact CD1-CB 3.91Å; L10-F60 HydrophobicContact CD1-CD1 4.31Å; L10-F60 HydrophobicContact CD1-CD2 3.96Å; L10-F60 HydrophobicContact CD1-CG 3.78Å; L10-F60 HydrophobicContact CD2-CD1 3.49Å; L10-F60 VanDerWaalsContact CD2-CD1 3.49Å; L10-F60 HydrophobicContact CD2-CD2 4Å; L10-F60 HydrophobicContact CD2-CE1 3.47Å; L10-F60 VanDerWaalsContact CD2-CE1 3.47Å; L10-F60 HydrophobicContact CD2-CE2 4.01Å; L10-F60 HydrophobicContact CD2-CG 3.77Å; L10-F60 HydrophobicContact CD2-CZ 3.75Å; L10-F60 HydrophobicContact CG-CG 4.44Å; M35-F60 HydrophobicContact CE-CB 3.84Å; M35-F60 WeakPolarHBondContact CE-O 3.25Å; M35-F60 WeakPolarHBondContact O-CD2 3.35Å; M35-F60 PolarHBondContact O-N 3.01Å; W37-F60 HydrophobicContact CB-CE2 4.16Å; W37-F60 AromaticContact CD1-CE2 3.56Å; W37-F60 AromaticContact CD2-CE2 3.77Å; W37-F60 HydrophobicContact CD2-CE2 3.77Å; W37-F60 HydrophobicContact CD2-CZ 4.05Å; W37-F60 AromaticContact CE2-CE2 3.86Å; W37-F60 HydrophobicContact CE3-CZ 4.36Å; W37-F60 AromaticContact CG-CE2 3.58Å; W37-F60 HydrophobicContact CG-CE2 3.58Å; W37-F60 HydrophobicContact CG-CZ 4.28Å; W37-F60 AromaticContact NE1-CE2 3.69Å; I58-F60 HydrophobicContact CB-CE2 4.14Å; I58-F60 HydrophobicContact CB-CZ 4.11Å; I58-F60 HydrophobicContact CG2-CE1 3.8Å; I58-F60 HydrophobicContact CG2-CE2 3.78Å; I58-F60 HydrophobicContact CG2-CZ 3.38Å; F60-Y64 HydrophobicContact CD1-CD1 4.46Å; F60-Y64 AromaticContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CE1 4.5Å; F60-Y64 AromaticContact CD1-CE2 3.76Å; F60-Y64 HydrophobicContact CD1-CE2 3.76Å; F60-Y64 HydrophobicContact CD1-CG 4.1Å; F60-Y64 HydrophobicContact CE1-CD2 4.44Å; F60-Y64 HydrophobicContact CE1-CE2 4.01Å; F60-P69 HydrophobicContact CD1-CB 3.74Å; F60-P69 HydrophobicContact CD1-CG 4.48Å; F60-P69 HydrophobicContact CE1-CB 3.82Å; F60-P69 HydrophobicContact CE1-CG 4.23Å; F60-V112 HydrophobicContact CE1-CG2 3.49Å; F60-V112 VanDerWaalsContact CE1-CG2 3.49Å; F60-V112 HydrophobicContact CZ-CG2 3.43Å; F60-V112 VanDerWaalsContact CZ-CG2 3.43Å
61P96.5Very high96.9Very high38 Ų3840.9 Ų40.925%0.24722%0.219CC..  trans-73.8157170.631.6-34.3000110.7M35 S63 Y64 P68M35-P61 WeakPolarHBondContact CE-O 3.45Å; P61-S63 PolarHBondContact O-N 3.12Å; P61-S63 VanDerWaalsContact O-N 3.12Å; P61-Y64 VanDerWaalsContact O-CB 3.27Å; P61-Y64 WeakPolarHBondContact O-CB 3.19Å; P61-Y64 PolarHBondContact O-N 2.89Å; P61-P68 WeakPolarHBondContact CD-O 3.5Å
62T96Very high97.1Very high86 Ų8637.1 Ų37.153%0.52820%0.2SC..THydrogen-bonded Turntrans-63.3-17.6174.353.90000113.2E3E3-T62 HydrophobicContact CB-CG2 4.26Å; E3-T62 HydrophobicContact CG-CG2 4.19Å
63S95.7Very high97.1Very high36 Ų3637.4 Ų37.425%0.25220%0.201SC..THydrogen-bonded Turntrans-84.3-2.2174.155.80000114.3P61 F66 S67P61-S63 PolarHBondContact O-N 3.12Å; P61-S63 VanDerWaalsContact O-N 3.12Å; S63-F66 WeakPolarHBondContact O-CA 3.35Å; S63-F66 WeakPolarHBondContact O-CB 3.5Å; S63-F66 PolarHBondContact O-N 3.36Å; S63-S67 WeakPolarHBondContact OG-CB 3.35Å; S63-S67 PolarHBondContact OG-OG 2.99Å
64Y97.1Very high97.1Very high0 Ų039 Ų390%022%0.22CC..THydrogen-bonded Turntrans-54.7137.2178.5-171.2-95.4000111.5A6 R9 L10 E13 F60 P61 W106A6-Y64 WeakPolarHBondContact CA-O 3.35Å; A6-Y64 WeakPolarHBondContact CB-O 3.28Å; R9-Y64 HydrophobicContact CG-CD1 4.06Å; R9-Y64 HydrophobicContact CG-CE1 3.67Å; L10-Y64 HydrophobicContact CD1-CD1 4.48Å; L10-Y64 HydrophobicContact CD2-CD1 3.75Å; L10-Y64 HydrophobicContact CD2-CE1 3.47Å; L10-Y64 VanDerWaalsContact CD2-CE1 3.47Å; L10-Y64 HydrophobicContact CG-CD1 3.91Å; L10-Y64 HydrophobicContact CG-CE1 4.04Å; E13-Y64 VanDerWaalsContact CD-OH 3.27Å; E13-Y64 WeakPolarHBondContact OE1-CE1 3.34Å; E13-Y64 PolarHBondContact OE1-OH 3.14Å; E13-Y64 PolarHBondContact OE2-OH 3.3Å; F60-Y64 HydrophobicContact CD1-CD1 4.46Å; F60-Y64 AromaticContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CE1 4.5Å; F60-Y64 AromaticContact CD1-CE2 3.76Å; F60-Y64 HydrophobicContact CD1-CE2 3.76Å; F60-Y64 HydrophobicContact CD1-CG 4.1Å; F60-Y64 HydrophobicContact CE1-CD2 4.44Å; F60-Y64 HydrophobicContact CE1-CE2 4.01Å; P61-Y64 VanDerWaalsContact O-CB 3.27Å; P61-Y64 WeakPolarHBondContact O-CB 3.19Å; P61-Y64 PolarHBondContact O-N 2.89Å; Y64-W106 HydrophobicContact CD2-CZ2 4.04Å; Y64-W106 AromaticContact CE2-CH2 3.5Å; Y64-W106 HydrophobicContact CE2-CH2 3.5Å; Y64-W106 AromaticContact CE2-CZ2 3.38Å; Y64-W106 HydrophobicContact CE2-CZ2 3.38Å
65P96.2Very high97Very high11 Ų1140.1 Ų40.17%0.07123%0.228CC..THydrogen-bonded Turncis-91.212.85.837.7-37.1000114.7R9 S67 W106 P108R9-P65 HydrophobicContact CG-CB 4.48Å; R9-P65 HydrophobicContact CG-CG 4.31Å; P65-S67 VanDerWaalsContact C-N 3.26Å; P65-S67 PolarHBondContact O-N 3.43Å; P65-W106 HydrophobicContact CB-CZ2 4.44Å; P65-W106 PolarHBondContact O-NE1 3.09Å; P65-P108 HydrophobicContact CB-CB 4.34Å; P65-P108 HydrophobicContact CG-CB 4.17Å; P65-P108 WeakPolarHBondContact O-CA 3.49Å
66F94.7Very high96.9Very high110 Ų11044.1 Ų44.148%0.48224%0.242SC..SBendtrans-76.1-15.1-179.7-63.6-82.9000113.8M1 S63 P108M1-F66 HydrophobicContact CE-CD2 3.89Å; M1-F66 HydrophobicContact CE-CE2 3.39Å; M1-F66 HydrophobicContact CG-CD2 3.83Å; M1-F66 HydrophobicContact CG-CE2 3.7Å; M1-F66 HydrophobicContact SD-CD2 4.38Å; M1-F66 HydrophobicContact SD-CE2 3.71Å; M1-F66 HydrophobicContact SD-CZ 4.49Å; S63-F66 WeakPolarHBondContact O-CA 3.35Å; S63-F66 WeakPolarHBondContact O-CB 3.5Å; S63-F66 PolarHBondContact O-N 3.36Å; F66-P108 HydrophobicContact CD1-CG 3.93Å; F66-P108 HydrophobicContact CE1-CG 4.3Å
67S94.8Very high96.9Very high33 Ų3345 Ų4523%0.23125%0.246CC..SBendtrans-127.1144.1170.4-51.50000109.5S63 P65S63-S67 WeakPolarHBondContact OG-CB 3.35Å; S63-S67 PolarHBondContact OG-OG 2.99Å; P65-S67 VanDerWaalsContact C-N 3.26Å; P65-S67 PolarHBondContact O-N 3.43Å
68P96.5Very high96.9Very high21 Ų2142.4 Ų42.414%0.13623%0.231CC..PPolyproline II helixtrans-65.5155.8-178.724.9-32.4000111.8P61 L93 W106P61-P68 WeakPolarHBondContact CD-O 3.5Å; P68-L93 VanDerWaalsContact CG-O 3.25Å; P68-L93 WeakPolarHBondContact CG-O 3.5Å; P68-W106 HydrophobicContact CB-CB 3.91Å; P68-W106 HydrophobicContact CB-CD2 3.59Å; P68-W106 HydrophobicContact CB-CE3 3.9Å; P68-W106 HydrophobicContact CB-CG 3.58Å; P68-W106 HydrophobicContact CG-CB 4.15Å; P68-W106 HydrophobicContact CG-CG 4.1Å
69P97.8Very high96.8Very high4 Ų442.3 Ų42.33%0.02623%0.23CC..PPolyproline II helixtrans-69.5159.8165.931.4-33.1000111.3I58 K59 F60 L93 W106I58-P69 HydrophobicContact CG2-CB 3.52Å; I58-P69 HydrophobicContact CG2-CG 4.08Å; K59-P69 CarbonylContact O-C 3.26Å; K59-P69 WeakPolarHBondContact O-CA 3.5Å; F60-P69 HydrophobicContact CD1-CB 3.74Å; F60-P69 HydrophobicContact CD1-CG 4.48Å; F60-P69 HydrophobicContact CE1-CB 3.82Å; F60-P69 HydrophobicContact CE1-CG 4.23Å; P69-L93 HydrophobicContact CG-CD2 4.28Å; P69-W106 HydrophobicContact CG-CZ3 4.42Å
70V97.4Very high96.8Very high75 Ų7536 Ų3646%0.45520%0.203SC..EExtended strand (participates in β ladder)trans-95.1122.5166.41790000108.5I58 K59I58-V70 WeakPolarHBondContact CA-O 3.42Å; K59-V70 HydrophobicContact CB-CB 4.5Å; K59-V70 PolarHBondContact N-O 2.88Å; K59-V70 PolarHBondContact O-N 2.88Å
71V98.1Very high96.7Very high3 Ų335.7 Ų35.72%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-107.2130.4177.9-175.70000109.8F39 D57 I58 V88 L93 V115 L119F39-V71 HydrophobicContact CE1-CG1 3.77Å; F39-V71 HydrophobicContact CZ-CG1 4.15Å; D57-V71 WeakPolarHBondContact O-CA 3.33Å; I58-V71 HydrophobicContact CG2-CG2 4.32Å; V71-V88 HydrophobicContact CB-CG2 4.45Å; V71-V88 HydrophobicContact CG1-CG2 4.1Å; V71-V88 PolarHBondContact O-N 2.93Å; V71-L93 HydrophobicContact CB-CD1 3.98Å; V71-L93 HydrophobicContact CG2-CD1 3.96Å; V71-L93 HydrophobicContact CG2-CD2 3.88Å; V71-V115 HydrophobicContact CG2-CG1 3.89Å; V71-L119 HydrophobicContact CG1-CD2 4.13Å
72T98.2Very high96.8Very high41 Ų4133.9 Ų33.925%0.25219%0.19SC..EExtended strand (participates in β ladder)trans-140.6131.8-179.4-61.10000110.2G56 D57 T85 G86G56-T72 CarbonylContact C-O 3.51Å; G56-T72 WeakPolarHBondContact CA-O 3.32Å; D57-T72 PolarHBondContact N-O 3.1Å; D57-T72 PolarHBondContact O-N 3.33Å; T72-T85 WeakPolarHBondContact CG2-O 3.31Å; T72-G86 CarbonylContact C-O 3.55Å; T72-G86 WeakPolarHBondContact CA-O 3.34Å
73F98.1Very high96.7Very high6 Ų630.2 Ų30.23%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-75130.3169.3-77.3-85.4000111F39 F54 M77 I82 G86 V88 L119F39-F73 HydrophobicContact CE2-CD1 4.2Å; F39-F73 AromaticContact CE2-CE1 3.71Å; F39-F73 HydrophobicContact CE2-CE1 3.71Å; F39-F73 HydrophobicContact CE2-CZ 4.18Å; F39-F73 HydrophobicContact CZ-CD1 4.02Å; F39-F73 AromaticContact CZ-CE1 3.84Å; F39-F73 HydrophobicContact CZ-CE1 3.84Å; F39-F73 HydrophobicContact CZ-CG 4.46Å; F39-F73 HydrophobicContact CZ-CZ 4.15Å; F54-F73 HydrophobicContact CB-CD1 3.88Å; F54-F73 HydrophobicContact CB-CE1 3.58Å; F54-F73 HydrophobicContact CG-CE1 4.47Å; F73-M77 HydrophobicContact CB-CG 3.61Å; F73-M77 HydrophobicContact CD1-CE 4.49Å; F73-M77 HydrophobicContact CD1-CG 3.87Å; F73-M77 HydrophobicContact CD1-SD 3.95Å; F73-M77 HydrophobicContact CD2-CG 3.89Å; F73-M77 HydrophobicContact CE1-CE 4.22Å; F73-M77 HydrophobicContact CE1-CG 4.5Å; F73-M77 HydrophobicContact CE1-SD 4.21Å; F73-M77 HydrophobicContact CG-CG 3.51Å; F73-M77 HydrophobicContact CG-SD 4.22Å; F73-M77 HydrophobicContact CZ-CE 4.22Å; F73-I82 HydrophobicContact CD2-CD1 3.66Å; F73-I82 HydrophobicContact CD2-CG1 4.31Å; F73-I82 HydrophobicContact CD2-CG2 4.04Å; F73-I82 HydrophobicContact CE2-CD1 3.36Å; F73-I82 HydrophobicContact CE2-CG1 4.2Å; F73-I82 HydrophobicContact CZ-CD1 4.16Å; F73-G86 PolarHBondContact N-O 3.17Å; F73-G86 WeakPolarHBondContact O-CA 3.39Å; F73-V88 HydrophobicContact CD2-CG2 3.75Å; F73-V88 HydrophobicContact CE2-CG2 3.71Å; F73-L119 HydrophobicContact CE2-CD1 4.02Å; F73-L119 HydrophobicContact CE2-CD2 3.96Å; F73-L119 HydrophobicContact CE2-CG 4.39Å; F73-L119 HydrophobicContact CZ-CD1 4.23Å; F73-L119 HydrophobicContact CZ-CD2 3.78Å; F73-L119 HydrophobicContact CZ-CG 4.17Å
74A96.5Very high96.6Very high72 Ų7237.4 Ų37.460%0.59520%0.199SC*.SBendtrans-84.8-32167.400000110.6K55K55-A74 PolarHBondContact O-N 2.79Å
75S95.8Very high96.4Very high24 Ų2442.9 Ų42.917%0.16823%0.233CC..SBendtrans-63.4144.9166.2-690000110.3K55 M77K55-S75 PolarHBondContact N-OG 3.32Å; K55-S75 PolarHBondContact O-N 2.97Å; S75-M77 PolarHBondContact O-N 3.22Å
76R95.2Very high96.5Very high149 Ų14942.6 Ų42.656%0.56223%0.232SC*.  trans-59.2136.1166.2-175.5-178.4-178.7-163.90.2108T154 E157R76-T154 WeakPolarHBondContact O-CG2 3.5Å; R76-E157 WeakPolarHBondContact CD-OE2 3.37Å; R76-E157 IonicContact CZ-OE1 2.72Å; R76-E157 IonicContact NH1-OE1 3.95Å; R76-E157 PolarHBondContact NH1-OE1 3.21Å
77M97.3Very high96.5Very high17 Ų1744.3 Ų44.38%0.08424%0.235CC..  trans-129.1139177.3-65.4-57.6-72.100110.7Y49 F54 F73 S75 I82 L123 T154Y49-M77 HydrophobicContact CD1-CE 4.47Å; Y49-M77 HydrophobicContact CE1-CE 4.27Å; F54-M77 HydrophobicContact CB-SD 4.13Å; F54-M77 HydrophobicContact CD1-CE 3.94Å; F54-M77 HydrophobicContact CD1-SD 3.23Å; F54-M77 WeakPolarHBondContact CD1-SD 3.34Å; F54-M77 HydrophobicContact CD2-CE 4.44Å; F54-M77 HydrophobicContact CE1-CE 4.16Å; F54-M77 HydrophobicContact CE1-SD 3.74Å; F54-M77 HydrophobicContact CG-CE 4.08Å; F54-M77 HydrophobicContact CG-SD 3.75Å; F73-M77 HydrophobicContact CB-CG 3.61Å; F73-M77 HydrophobicContact CD1-CE 4.49Å; F73-M77 HydrophobicContact CD1-CG 3.87Å; F73-M77 HydrophobicContact CD1-SD 3.95Å; F73-M77 HydrophobicContact CD2-CG 3.89Å; F73-M77 HydrophobicContact CE1-CE 4.22Å; F73-M77 HydrophobicContact CE1-CG 4.5Å; F73-M77 HydrophobicContact CE1-SD 4.21Å; F73-M77 HydrophobicContact CG-CG 3.51Å; F73-M77 HydrophobicContact CG-SD 4.22Å; F73-M77 HydrophobicContact CZ-CE 4.22Å; S75-M77 PolarHBondContact O-N 3.22Å; M77-I82 HydrophobicContact CB-CB 4.2Å; M77-I82 HydrophobicContact CB-CD1 4Å; M77-I82 HydrophobicContact CB-CG2 3.74Å; M77-I82 HydrophobicContact CE-CD1 3.73Å; M77-I82 HydrophobicContact CG-CD1 4.02Å; M77-I82 HydrophobicContact CG-CG2 4.18Å; M77-L123 HydrophobicContact CE-CD2 3.76Å; M77-T154 HydrophobicContact SD-CG2 4.34Å
78F97.7Very high96.6Very high21 Ų2143.1 Ų43.19%0.09223%0.226CC..  trans-117.885169-168.5-101.8000109.7Y49 T135 A136 L139 Y147 R150 V151 T154Y49-F78 PolarHBondContact OH-O 3.08Å; F78-T135 HydrophobicContact CZ-CG2 4.41Å; F78-A136 HydrophobicContact CD1-CB 4.3Å; F78-A136 HydrophobicContact CE1-CB 3.86Å; F78-A136 HydrophobicContact CE2-CB 4.09Å; F78-A136 HydrophobicContact CZ-CB 3.73Å; F78-L139 HydrophobicContact CE1-CD1 4.39Å; F78-L139 HydrophobicContact CZ-CD1 3.96Å; F78-Y147 HydrophobicContact CD1-CD2 4.23Å; F78-Y147 HydrophobicContact CD1-CE2 4.27Å; F78-Y147 AromaticContact CE1-CD2 3.74Å; F78-Y147 HydrophobicContact CE1-CD2 3.74Å; F78-Y147 HydrophobicContact CE1-CE2 4.15Å; F78-R150 HydrophobicContact CD1-CB 3.49Å; F78-R150 VanDerWaalsContact CD1-CB 3.49Å; F78-R150 HydrophobicContact CD2-CB 4.45Å; F78-R150 HydrophobicContact CE1-CB 3.64Å; F78-R150 HydrophobicContact CE1-CG 4.3Å; F78-R150 HydrophobicContact CG-CB 3.93Å; F78-R150 HydrophobicContact CZ-CB 4.22Å; F78-R150 VanDerWaalsContact CZ-CD 3.43Å; F78-R150 HydrophobicContact CZ-CG 4.49Å; F78-V151 HydrophobicContact CD1-CG2 4.04Å; F78-V151 WeakPolarHBondContact O-CG2 3.17Å; F78-T154 WeakPolarHBondContact CB-OG1 3.38Å
79H97.8Very high96.3Very high0 Ų042.8 Ų42.80%022%0.224CC..BIsolated β-bridgetrans-143141.5-174.1-176.1-81.6000110.3Y49 N81 I82 L122 N133Y49-H79 AromaticContact CE2-CD2 3.91Å; Y49-H79 AromaticContact CZ-CD2 3.63Å; Y49-H79 WeakPolarHBondContact OH-CB 3.27Å; Y49-H79 PolarHBondContact OH-CD2 3.21Å; H79-N81 VanDerWaalsContact C-N 3.31Å; H79-N81 PolarHBondContact CE1-OD1 2.78Å; H79-N81 VanDerWaalsContact CE1-OD1 3.23Å; H79-N81 PolarHBondContact ND1-N 2.95Å; H79-N81 PolarHBondContact O-N 2.89Å; H79-I82 HydrophobicContact CB-CB 4.02Å; H79-I82 HydrophobicContact CB-CD1 3.7Å; H79-I82 HydrophobicContact CB-CG1 3.88Å; H79-I82 PolarHBondContact O-N 3Å; H79-I82 VanDerWaalsContact O-N 3.13Å; H79-I82 VanDerWaalsContact O-O 3.09Å; H79-L122 PolarHBondContact NE2-O 3.42Å; H79-N133 WeakPolarHBondContact O-CB 3.5Å
80P97.2Very high96.1Very high0 Ų043.8 Ų43.80%023%0.229CC..THydrogen-bonded Turntrans-51.5-45.1-179.6-2935.8000114P126 S131 L132 N133 A136 A137 L140 Y147P80-P126 HydrophobicContact CB-CB 4.45Å; P80-P126 HydrophobicContact CG-CB 3.78Å; P80-S131 CarbonylContact O-C 3.57Å; P80-S131 WeakPolarHBondContact O-CA 3.39Å; P80-S131 WeakPolarHBondContact O-CB 3.29Å; P80-L132 PolarHBondContact O-N 2.86Å; P80-N133 PolarHBondContact O-N 2.83Å; P80-A136 HydrophobicContact CG-CB 4.27Å; P80-A137 HydrophobicContact CB-CB 4.11Å; P80-L140 HydrophobicContact CG-CD2 3.77Å; P80-Y147 HydrophobicContact CG-CE2 4.42Å
81N96.9Very high95.7Very high3 Ų342.8 Ų42.82%0.01622%0.221CC..THydrogen-bonded Turntrans-907.1-177-51.298.1000114.9H79 C89 L122 N127 S130H79-N81 VanDerWaalsContact C-N 3.31Å; H79-N81 PolarHBondContact CE1-OD1 2.78Å; H79-N81 VanDerWaalsContact CE1-OD1 3.23Å; H79-N81 PolarHBondContact ND1-N 2.95Å; H79-N81 PolarHBondContact O-N 2.89Å; N81-C89 PolarHBondContact O-N 3.33Å; N81-L122 HydrophobicContact CB-CD1 4.21Å; N81-L122 HydrophobicContact CB-CD2 3.96Å; N81-L122 HydrophobicContact CB-CG 4.37Å; N81-N127 PolarHBondContact ND2-O 2.85Å; N81-N127 PolarHBondContact OD1-N 2.91Å; N81-N127 PolarHBondContact OD1-O 3.46Å; N81-S130 PolarHBondContact ND2-O 3.06Å
82I97.4Very high95.5Very high0 Ų043.3 Ų43.30%022%0.224CC..BIsolated β-bridgetrans-117.8119.9177.7-54.7172.2000108.7F73 M77 H79 R87 V88 L123 N133F73-I82 HydrophobicContact CD2-CD1 3.66Å; F73-I82 HydrophobicContact CD2-CG1 4.31Å; F73-I82 HydrophobicContact CD2-CG2 4.04Å; F73-I82 HydrophobicContact CE2-CD1 3.36Å; F73-I82 HydrophobicContact CE2-CG1 4.2Å; F73-I82 HydrophobicContact CZ-CD1 4.16Å; M77-I82 HydrophobicContact CB-CB 4.2Å; M77-I82 HydrophobicContact CB-CD1 4Å; M77-I82 HydrophobicContact CB-CG2 3.74Å; M77-I82 HydrophobicContact CE-CD1 3.73Å; M77-I82 HydrophobicContact CG-CD1 4.02Å; M77-I82 HydrophobicContact CG-CG2 4.18Å; H79-I82 HydrophobicContact CB-CB 4.02Å; H79-I82 HydrophobicContact CB-CD1 3.7Å; H79-I82 HydrophobicContact CB-CG1 3.88Å; H79-I82 PolarHBondContact O-N 3Å; H79-I82 VanDerWaalsContact O-N 3.13Å; H79-I82 VanDerWaalsContact O-O 3.09Å; I82-R87 WeakPolarHBondContact CA-O 3.23Å; I82-V88 HydrophobicContact CG1-CG2 4.44Å; I82-L123 HydrophobicContact CD1-CD2 4.19Å; I82-N133 WeakPolarHBondContact O-CB 3.45Å
83G95.1Very high95.3Very high9 Ų942.2 Ų42.29%0.09322%0.216CC..  trans-70.1167.5-179.900000112.8T85 G86 R87G83-T85 PolarHBondContact O-N 3.19Å; G83-T85 VanDerWaalsContact O-N 3.14Å; G83-G86 PolarHBondContact O-N 3.49Å; G83-R87 PolarHBondContact N-O 3.41Å
84Q92.6Very high95Very high187 Ų18744.5 Ų44.587%0.87423%0.227SC*.THydrogen-bonded Turntrans-59.8-26.5179.3-64.7-179.110.500113.5G86Q84-G86 VanDerWaalsContact C-N 3.27Å
85T94.3Very high94.7Very high115 Ų11543.5 Ų43.571%0.70621%0.211SC*.THydrogen-bonded Turntrans-84.93.9175.859.90000113.5T72 G83 R87T72-T85 WeakPolarHBondContact CG2-O 3.31Å; G83-T85 PolarHBondContact O-N 3.19Å; G83-T85 VanDerWaalsContact O-N 3.14Å; T85-R87 VanDerWaalsContact C-N 3.3Å; T85-R87 PolarHBondContact O-N 3.48Å
86G96.6Very high94.2Very high5 Ų544.7 Ų44.75%0.05222%0.218CC..SBendtrans84.7-6-176.600000114.8T72 F73 G83 Q84 V88T72-G86 CarbonylContact C-O 3.55Å; T72-G86 WeakPolarHBondContact CA-O 3.34Å; F73-G86 PolarHBondContact N-O 3.17Å; F73-G86 WeakPolarHBondContact O-CA 3.39Å; G83-G86 PolarHBondContact O-N 3.49Å; Q84-G86 VanDerWaalsContact C-N 3.27Å; G86-V88 PolarHBondContact O-N 3.32Å
87R96.2Very high93.7Very high146 Ų14642.2 Ų42.255%0.55122%0.224SC*.BIsolated β-bridgetrans-60.7133.4179.2-174.2174.3179.9169.4-0.1110.9I82 G83 T85 L132I82-R87 WeakPolarHBondContact CA-O 3.23Å; G83-R87 PolarHBondContact N-O 3.41Å; T85-R87 VanDerWaalsContact C-N 3.3Å; T85-R87 PolarHBondContact O-N 3.48Å; R87-L132 VanDerWaalsContact O-CD1 3.25Å; R87-L132 WeakPolarHBondContact O-CD1 3.4Å
88V95.6Very high92.8Very high7 Ų746.9 Ų46.94%0.04225%0.249CC..BIsolated β-bridgetrans-92.7137178.8-178.80000110.5V71 F73 I82 G86 M90 L93 L119 L122V71-V88 HydrophobicContact CB-CG2 4.45Å; V71-V88 HydrophobicContact CG1-CG2 4.1Å; V71-V88 PolarHBondContact O-N 2.93Å; F73-V88 HydrophobicContact CD2-CG2 3.75Å; F73-V88 HydrophobicContact CE2-CG2 3.71Å; I82-V88 HydrophobicContact CG1-CG2 4.44Å; G86-V88 PolarHBondContact O-N 3.32Å; V88-M90 HydrophobicContact CG1-CB 4.3Å; V88-L93 HydrophobicContact CB-CD1 4.19Å; V88-L93 HydrophobicContact CG1-CD1 4.11Å; V88-L119 HydrophobicContact CG1-CD1 3.86Å; V88-L119 HydrophobicContact CG2-CD1 4.24Å; V88-L122 HydrophobicContact CG1-CD2 4.16Å
89C91.3Very high91.8Very high15 Ų1547.4 Ų47.410%0.10126%0.256CS..  trans-109.4115.1165.7-176.50000109.5N81 L132N81-C89 PolarHBondContact O-N 3.33Å; C89-L132 HydrophobicContact CB-CD1 3.54Å; C89-L132 HydrophobicContact CB-CD2 4.08Å; C89-L132 HydrophobicContact CB-CG 3.52Å
90M91.7Very high90.6Very high24 Ų2457.6 Ų57.612%0.11830%0.303CS..  trans-152.5141.1176.2-176.1172.241.600108V88 I92 L93 S118 L119 L122V88-M90 HydrophobicContact CG1-CB 4.3Å; M90-I92 HydrophobicContact CB-CG2 4.4Å; M90-I92 HydrophobicContact CE-CG2 3.34Å; M90-I92 HydrophobicContact CG-CG2 3.82Å; M90-I92 PolarHBondContact O-N 3.18Å; M90-I92 HydrophobicContact SD-CG2 3.81Å; M90-L93 HydrophobicContact CE-CD1 4.48Å; M90-L93 HydrophobicContact CE-CG 4.49Å; M90-L93 WeakPolarHBondContact O-CB 3.45Å; M90-L93 PolarHBondContact O-N 3.45Å; M90-S118 VanDerWaalsContact SD-CB 3.51Å; M90-L119 HydrophobicContact CE-CB 4.12Å; M90-L122 HydrophobicContact CB-CD2 4.25Å; M90-L122 HydrophobicContact SD-CB 4.48Å; M90-L122 HydrophobicContact SD-CD2 4.34Å
91N90.3Very high89.4Confident54 Ų5460.8 Ų60.829%0.28932%0.32SS..G310 helixtrans-56.6-38-173.4-66.6-2.9000112.5L93 H94 T104 C105N91-L93 PolarHBondContact O-N 2.63Å; N91-H94 WeakPolarHBondContact O-CB 3.44Å; N91-H94 PolarHBondContact O-N 3.15Å; N91-T104 CarbonylContact C-O 3.41Å; N91-T104 VanDerWaalsContact CB-O 3.3Å; N91-T104 WeakPolarHBondContact CB-O 3.33Å; N91-T104 WeakPolarHBondContact CB-OG1 3.09Å; N91-T104 PolarHBondContact ND2-OG1 3.39Å; N91-C105 WeakPolarHBondContact O-CA 3.45Å
92I93.1Very high88.3Confident15 Ų1563.7 Ų63.78%0.07734%0.341CS..G310 helixtrans-59.2-18.9177.6-161.1171.6000113.3M90 T104 W106 L110 K114 V115M90-I92 HydrophobicContact CB-CG2 4.4Å; M90-I92 HydrophobicContact CE-CG2 3.34Å; M90-I92 HydrophobicContact CG-CG2 3.82Å; M90-I92 PolarHBondContact O-N 3.18Å; M90-I92 HydrophobicContact SD-CG2 3.81Å; I92-T104 WeakPolarHBondContact CA-O 3.35Å; I92-T104 PolarHBondContact N-O 3.02Å; I92-W106 HydrophobicContact CG1-CE3 4.48Å; I92-W106 WeakPolarHBondContact O-CA 3.22Å; I92-W106 VanDerWaalsContact O-CB 3.28Å; I92-W106 WeakPolarHBondContact O-CB 3.46Å; I92-W106 VanDerWaalsContact O-CE3 3.27Å; I92-L110 HydrophobicContact CD1-CD1 3.74Å; I92-L110 HydrophobicContact CD1-CD2 4.25Å; I92-L110 HydrophobicContact CD1-CG 4.39Å; I92-L110 HydrophobicContact CG1-CD1 3.4Å; I92-L110 HydrophobicContact CG1-CG 4.48Å; I92-K114 HydrophobicContact CD1-CB 4.46Å; I92-V115 HydrophobicContact CD1-CG2 4.28Å
93L94Very high87.3Confident18 Ų1870.5 Ų70.59%0.09438%0.377CS..G310 helixtrans-957.2177-60177.2000113P68 P69 V71 V88 M90 N91 V115P68-L93 VanDerWaalsContact CG-O 3.25Å; P68-L93 WeakPolarHBondContact CG-O 3.5Å; P69-L93 HydrophobicContact CG-CD2 4.28Å; V71-L93 HydrophobicContact CB-CD1 3.98Å; V71-L93 HydrophobicContact CG2-CD1 3.96Å; V71-L93 HydrophobicContact CG2-CD2 3.88Å; V88-L93 HydrophobicContact CB-CD1 4.19Å; V88-L93 HydrophobicContact CG1-CD1 4.11Å; M90-L93 HydrophobicContact CE-CD1 4.48Å; M90-L93 HydrophobicContact CE-CG 4.49Å; M90-L93 WeakPolarHBondContact O-CB 3.45Å; M90-L93 PolarHBondContact O-N 3.45Å; N91-L93 PolarHBondContact O-N 2.63Å; L93-V115 HydrophobicContact CD2-CG1 3.89Å; L93-V115 HydrophobicContact CD2-CG2 4.27Å
94H91.7Very high86.8Confident54 Ų5473.1 Ų73.125%0.2539%0.392CS..SBendtrans-114.9142.8177.4-63.1153.8000111.2N91 S99 C105 W106N91-H94 WeakPolarHBondContact O-CB 3.44Å; N91-H94 PolarHBondContact O-N 3.15Å; H94-S99 WeakPolarHBondContact CB-OG 3.35Å; H94-C105 WeakPolarHBondContact O-CB 3.44Å; H94-W106 VanDerWaalsContact O-CB 3.3Å; H94-W106 WeakPolarHBondContact O-CB 3.45Å; H94-W106 PolarHBondContact O-N 3.44Å
95L90.7Very high86.7Confident51 Ų5164.4 Ų64.427%0.26735%0.351SS..  trans-69.2146.8168.7-70.9172.5000109.6S97 N98L95-S97 PolarHBondContact O-N 2.95Å; L95-N98 PolarHBondContact O-N 3.1Å
96P85.6Confident86.8Confident48 Ų4859 Ų5931%0.31232%0.318SS..G310 helixtrans-52.9-30.6175.7-26.633000113.7N98 S99 C105 W106 L107P96-N98 PolarHBondContact O-N 2.94Å; P96-N98 VanDerWaalsContact O-N 3.15Å; P96-S99 PolarHBondContact O-N 2.97Å; P96-C105 HydrophobicContact CB-CB 4.2Å; P96-C105 HydrophobicContact CG-CB 3.72Å; P96-W106 WeakPolarHBondContact CD-O 3.25Å; P96-L107 HydrophobicContact CG-CD2 4.5Å
97S83.7Confident86.7Confident98 Ų9862.7 Ų62.769%0.68534%0.336SS*.G310 helixtrans-63.9-16.5176.462.70000114.4L95L95-S97 PolarHBondContact O-N 2.95Å
98N79.8Confident86.6Confident114 Ų11458 Ų5861%0.6132%0.324SS*.G310 helixtrans-115.212.2-171.3-57.8-12.4000112.2L95 P96L95-N98 PolarHBondContact O-N 3.1Å; P96-N98 PolarHBondContact O-N 2.94Å; P96-N98 VanDerWaalsContact O-N 3.15Å
99S77.1Confident86.6Confident33 Ų3362.5 Ų62.523%0.23135%0.352CS..  trans-145.7145-175.7-69.50000110.2H94 P96 D101 C105H94-S99 WeakPolarHBondContact CB-OG 3.35Å; P96-S99 PolarHBondContact O-N 2.97Å; S99-D101 VanDerWaalsContact C-N 3.3Å; S99-C105 WeakPolarHBondContact CB-SG 3.28Å
100Q72.6Confident86.8Confident213 Ų21363 Ų63100%0.99535%0.353SS*.SBendtrans-74.5-24.4-179.8-66.4-177.13.700112.5
101D72.1Confident87Confident68 Ų6863.3 Ų63.336%0.36436%0.357SS..  trans-104.7100175.4175.910.8000109.5S99 D103 T104 C105S99-D101 VanDerWaalsContact C-N 3.3Å; D101-D103 VanDerWaalsContact C-N 3.28Å; D101-D103 PolarHBondContact O-N 2.82Å; D101-D103 PolarHBondContact OD1-N 3.02Å; D101-D103 VanDerWaalsContact OD1-N 3.11Å; D101-T104 WeakPolarHBondContact OD2-CG2 3.47Å; D101-T104 PolarHBondContact OD2-OG1 2.91Å; D101-C105 PolarHBondContact O-SG 2.78Å
102S73Confident87.3Confident64 Ų6460.8 Ų60.845%0.44834%0.343SS..SBendtrans-72.5-20.5-178.851.70000113.6T104 C105S102-T104 VanDerWaalsContact C-N 3.34Å; S102-T104 PolarHBondContact O-N 3.17Å; S102-C105 PolarHBondContact O-N 2.77Å
103D76.8Confident87.5Confident143 Ų14362.3 Ų62.377%0.76535%0.35SS*.THydrogen-bonded Turntrans-80.3-22.9-167.3-64.9-11.9000111.7D101D101-D103 VanDerWaalsContact C-N 3.28Å; D101-D103 PolarHBondContact O-N 2.82Å; D101-D103 PolarHBondContact OD1-N 3.02Å; D101-D103 VanDerWaalsContact OD1-N 3.11Å
104T83.7Confident87.6Confident64 Ų6466 Ų6639%0.39337%0.365SS..THydrogen-bonded Turntrans-102.66.917858.20000113.5N91 I92 D101 S102N91-T104 CarbonylContact C-O 3.41Å; N91-T104 VanDerWaalsContact CB-O 3.3Å; N91-T104 WeakPolarHBondContact CB-O 3.33Å; N91-T104 WeakPolarHBondContact CB-OG1 3.09Å; N91-T104 PolarHBondContact ND2-OG1 3.39Å; I92-T104 WeakPolarHBondContact CA-O 3.35Å; I92-T104 PolarHBondContact N-O 3.02Å; D101-T104 WeakPolarHBondContact OD2-CG2 3.47Å; D101-T104 PolarHBondContact OD2-OG1 2.91Å; S102-T104 VanDerWaalsContact C-N 3.34Å; S102-T104 PolarHBondContact O-N 3.17Å
105C91.8Very high87.9Confident3 Ų363.5 Ų63.52%0.0235%0.354CS..SBendtrans-82.6169.6-178.5-76.90000114.4N91 H94 P96 S99 D101 S102 L107 L110N91-C105 WeakPolarHBondContact O-CA 3.45Å; H94-C105 WeakPolarHBondContact O-CB 3.44Å; P96-C105 HydrophobicContact CB-CB 4.2Å; P96-C105 HydrophobicContact CG-CB 3.72Å; S99-C105 WeakPolarHBondContact CB-SG 3.28Å; D101-C105 PolarHBondContact O-SG 2.78Å; S102-C105 PolarHBondContact O-N 2.77Å; C105-L107 PolarHBondContact O-N 2.97Å; C105-L110 WeakPolarHBondContact O-CD1 3.3Å
106W95.7Very high88.2Confident3 Ų361.1 Ų61.11%0.01134%0.341CS..  trans-59.6128.3174-176.5-99.1000112Y64 P65 P68 P69 I92 H94 P96 L110 V115Y64-W106 HydrophobicContact CD2-CZ2 4.04Å; Y64-W106 AromaticContact CE2-CH2 3.5Å; Y64-W106 HydrophobicContact CE2-CH2 3.5Å; Y64-W106 AromaticContact CE2-CZ2 3.38Å; Y64-W106 HydrophobicContact CE2-CZ2 3.38Å; P65-W106 HydrophobicContact CB-CZ2 4.44Å; P65-W106 PolarHBondContact O-NE1 3.09Å; P68-W106 HydrophobicContact CB-CB 3.91Å; P68-W106 HydrophobicContact CB-CD2 3.59Å; P68-W106 HydrophobicContact CB-CE3 3.9Å; P68-W106 HydrophobicContact CB-CG 3.58Å; P68-W106 HydrophobicContact CG-CB 4.15Å; P68-W106 HydrophobicContact CG-CG 4.1Å; P69-W106 HydrophobicContact CG-CZ3 4.42Å; I92-W106 HydrophobicContact CG1-CE3 4.48Å; I92-W106 WeakPolarHBondContact O-CA 3.22Å; I92-W106 VanDerWaalsContact O-CB 3.28Å; I92-W106 WeakPolarHBondContact O-CB 3.46Å; I92-W106 VanDerWaalsContact O-CE3 3.27Å; H94-W106 VanDerWaalsContact O-CB 3.3Å; H94-W106 WeakPolarHBondContact O-CB 3.45Å; H94-W106 PolarHBondContact O-N 3.44Å; P96-W106 WeakPolarHBondContact CD-O 3.25Å; W106-L110 HydrophobicContact CE3-CB 4.07Å; W106-L110 HydrophobicContact CE3-CD1 4.28Å; W106-L110 HydrophobicContact CH2-CB 4.22Å; W106-L110 HydrophobicContact CZ3-CB 3.86Å; W106-V115 HydrophobicContact CE3-CG2 4.48Å; W106-V115 HydrophobicContact CZ3-CG2 3.71Å
107L94.2Very high88.7Confident81 Ų8161.5 Ų61.542%0.42434%0.34SS..  trans-124.6148.8169.1-63.2175.2000109P96 C105 T109 L110P96-L107 HydrophobicContact CG-CD2 4.5Å; C105-L107 PolarHBondContact O-N 2.97Å; L107-T109 PolarHBondContact O-N 3.21Å; L107-L110 HydrophobicContact CB-CD1 4.34Å; L107-L110 HydrophobicContact CB-CG 4.28Å; L107-L110 WeakPolarHBondContact O-CB 3.37Å; L107-L110 PolarHBondContact O-N 3.39Å
108P94.5Very high89.3Confident49 Ų4958.9 Ų58.932%0.31832%0.322SS..THydrogen-bonded Turntrans-59.8-13.6178-24.133.9000115.1R9 P65 F66R9-P108 PolarHBondContact NH1-O 2.7Å; R9-P108 PolarHBondContact NH2-O 2.85Å; P65-P108 HydrophobicContact CB-CB 4.34Å; P65-P108 HydrophobicContact CG-CB 4.17Å; P65-P108 WeakPolarHBondContact O-CA 3.49Å; F66-P108 HydrophobicContact CD1-CG 3.93Å; F66-P108 HydrophobicContact CE1-CG 4.3Å
109T94.7Very high90.1Very high100 Ų10053.5 Ų53.561%0.61329%0.293SS*.THydrogen-bonded Turntrans-82.7-10.9174.751.30000113.6L107L107-T109 PolarHBondContact O-N 3.21Å
110L96.2Very high91Very high25 Ų2552.5 Ų52.513%0.13129%0.286CS..  trans-78151.5174.6-60.6173.9000110.4R9 I92 C105 W106 L107 K114R9-L110 PolarHBondContact NH2-O 3.47Å; I92-L110 HydrophobicContact CD1-CD1 3.74Å; I92-L110 HydrophobicContact CD1-CD2 4.25Å; I92-L110 HydrophobicContact CD1-CG 4.39Å; I92-L110 HydrophobicContact CG1-CD1 3.4Å; I92-L110 HydrophobicContact CG1-CG 4.48Å; C105-L110 WeakPolarHBondContact O-CD1 3.3Å; W106-L110 HydrophobicContact CE3-CB 4.07Å; W106-L110 HydrophobicContact CE3-CD1 4.28Å; W106-L110 HydrophobicContact CH2-CB 4.22Å; W106-L110 HydrophobicContact CZ3-CB 3.86Å; L107-L110 HydrophobicContact CB-CD1 4.34Å; L107-L110 HydrophobicContact CB-CG 4.28Å; L107-L110 WeakPolarHBondContact O-CB 3.37Å; L107-L110 PolarHBondContact O-N 3.39Å; L110-K114 HydrophobicContact CD2-CD 3.73Å
111T96.3Very high92.1Very high31 Ų3146.3 Ų46.319%0.1927%0.265CS..  trans-123163.3-174.358.40000110.1E13 E113 K114 V115E13-T111 HydrophobicContact CG-CG2 4.42Å; E13-T111 WeakPolarHBondContact OE2-CA 3.44Å; E13-T111 WeakPolarHBondContact OE2-CB 3.3Å; T111-E113 PolarHBondContact O-N 3.28Å; T111-K114 PolarHBondContact O-N 3.38Å; T111-K114 PolarHBondContact OG1-N 3.4Å; T111-V115 WeakPolarHBondContact O-CG2 3.36Å; T111-V115 PolarHBondContact O-N 2.89Å; T111-V115 VanDerWaalsContact O-N 3.08Å
112V97.1Very high93.2Very high1 Ų144 Ų441%0.00625%0.253CS..Hα-helixtrans-56.7-39.8172.71760000111.2E13 L17 W37 I58 F60 V115 L116E13-V112 WeakPolarHBondContact OE2-CG2 3.43Å; E13-V112 PolarHBondContact OE2-N 2.87Å; L17-V112 HydrophobicContact CD1-CB 4.14Å; L17-V112 HydrophobicContact CD1-CG1 4.14Å; W37-V112 HydrophobicContact CE3-CG1 3.95Å; W37-V112 HydrophobicContact CE3-CG2 4.48Å; W37-V112 HydrophobicContact CH2-CG2 4.28Å; W37-V112 HydrophobicContact CZ3-CB 4.05Å; W37-V112 HydrophobicContact CZ3-CG1 3.71Å; W37-V112 HydrophobicContact CZ3-CG2 4.02Å; I58-V112 HydrophobicContact CD1-CG1 3.74Å; F60-V112 HydrophobicContact CE1-CG2 3.49Å; F60-V112 VanDerWaalsContact CE1-CG2 3.49Å; F60-V112 HydrophobicContact CZ-CG2 3.43Å; F60-V112 VanDerWaalsContact CZ-CG2 3.43Å; V112-V115 WeakPolarHBondContact O-CB 3.44Å; V112-V115 PolarHBondContact O-N 3.38Å; V112-L116 HydrophobicContact CG1-CD1 3.96Å; V112-L116 HydrophobicContact CG1-CG 4.39Å; V112-L116 WeakPolarHBondContact O-CG 3.46Å; V112-L116 PolarHBondContact O-N 2.93Å
113E96.9Very high94.3Very high47 Ų4741 Ų4122%0.2223%0.232CC..Hα-helixtrans-55-53.1174.9-169.2-157.2157.800111.7L17 H22 F25 T111 V115 L116 L117L17-E113 HydrophobicContact CD2-CB 3.64Å; L17-E113 HydrophobicContact CD2-CG 3.79Å; L17-E113 HydrophobicContact CG-CB 4.4Å; H22-E113 IonicContact CE1-OE1 3.45Å; H22-E113 PolarHBondContact CE1-OE1 3.21Å; H22-E113 VanDerWaalsContact CE1-OE1 3.3Å; F25-E113 HydrophobicContact CZ-CG 4.13Å; T111-E113 PolarHBondContact O-N 3.28Å; E113-V115 VanDerWaalsContact C-N 3.28Å; E113-V115 PolarHBondContact O-N 3.13Å; E113-L116 PolarHBondContact O-N 2.91Å; E113-L116 VanDerWaalsContact O-N 3.1Å; E113-L117 HydrophobicContact CG-CD1 4.14Å; E113-L117 WeakPolarHBondContact O-CG 3Å; E113-L117 PolarHBondContact O-N 3.03Å
114K96Very high95.2Very high97 Ų9736.3 Ų36.342%0.42221%0.213SC..Hα-helixtrans-59.8-39.3178-72.9179.5178.6177.70111.9I92 L110 T111 S118I92-K114 HydrophobicContact CD1-CB 4.46Å; L110-K114 HydrophobicContact CD2-CD 3.73Å; T111-K114 PolarHBondContact O-N 3.38Å; T111-K114 PolarHBondContact OG1-N 3.4Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 3.45Å; K114-S118 PolarHBondContact O-OG 3.28Å
115V97.2Very high95.7Very high1 Ų140.8 Ų40.81%0.00623%0.23CC..Hα-helixtrans-60.2-45.5175.2170.20000111.3V71 I92 L93 W106 T111 V112 E113 L119V71-V115 HydrophobicContact CG2-CG1 3.89Å; I92-V115 HydrophobicContact CD1-CG2 4.28Å; L93-V115 HydrophobicContact CD2-CG1 3.89Å; L93-V115 HydrophobicContact CD2-CG2 4.27Å; W106-V115 HydrophobicContact CE3-CG2 4.48Å; W106-V115 HydrophobicContact CZ3-CG2 3.71Å; T111-V115 WeakPolarHBondContact O-CG2 3.36Å; T111-V115 PolarHBondContact O-N 2.89Å; T111-V115 VanDerWaalsContact O-N 3.08Å; V112-V115 WeakPolarHBondContact O-CB 3.44Å; V112-V115 PolarHBondContact O-N 3.38Å; E113-V115 VanDerWaalsContact C-N 3.28Å; E113-V115 PolarHBondContact O-N 3.13Å; V115-L119 WeakPolarHBondContact O-CB 3.34Å; V115-L119 PolarHBondContact O-N 2.92Å
116L97.6Very high95.8Very high0 Ų042.2 Ų42.20%024%0.239CC..Hα-helixtrans-71.8-37.9-178.6-68.4173.3000112.5F25 V27 F39 M41 I58 V112 E113 L119 S120F25-L116 HydrophobicContact CD1-CB 3.66Å; F25-L116 HydrophobicContact CD2-CB 4.12Å; F25-L116 HydrophobicContact CD2-CD1 3.47Å; F25-L116 VanDerWaalsContact CD2-CD1 3.47Å; F25-L116 HydrophobicContact CD2-CG 4.41Å; F25-L116 HydrophobicContact CE1-CB 3.65Å; F25-L116 HydrophobicContact CE2-CB 4.12Å; F25-L116 HydrophobicContact CE2-CD1 3.67Å; F25-L116 HydrophobicContact CG-CB 3.91Å; F25-L116 HydrophobicContact CG-CD1 3.94Å; F25-L116 HydrophobicContact CG-CG 4.47Å; F25-L116 HydrophobicContact CZ-CB 3.89Å; F25-L116 HydrophobicContact CZ-CD1 4.28Å; V27-L116 HydrophobicContact CG1-CD1 3.39Å; F39-L116 HydrophobicContact CB-CD2 4.1Å; F39-L116 HydrophobicContact CD1-CD2 4.29Å; F39-L116 HydrophobicContact CD2-CD2 4.07Å; F39-L116 HydrophobicContact CG-CD2 3.9Å; M41-L116 HydrophobicContact CE-CB 4.34Å; M41-L116 HydrophobicContact CE-CD2 3.98Å; M41-L116 WeakPolarHBondContact CE-O 3.27Å; I58-L116 HydrophobicContact CD1-CD1 4.39Å; I58-L116 HydrophobicContact CD1-CD2 4.16Å; I58-L116 HydrophobicContact CD1-CG 4.43Å; V112-L116 HydrophobicContact CG1-CD1 3.96Å; V112-L116 HydrophobicContact CG1-CG 4.39Å; V112-L116 WeakPolarHBondContact O-CG 3.46Å; V112-L116 PolarHBondContact O-N 2.93Å; E113-L116 PolarHBondContact O-N 2.91Å; E113-L116 VanDerWaalsContact O-N 3.1Å; L116-L119 PolarHBondContact O-N 2.99Å; L116-S120 PolarHBondContact O-N 3.4Å
117L96.2Very high95.5Very high56 Ų5645.2 Ų45.229%0.29326%0.255SS..Hα-helixtrans-62.7-47.1171.6-70.3172.2000111.4F25 E113 L119 S120 C121F25-L117 HydrophobicContact CE1-CD2 3.85Å; F25-L117 HydrophobicContact CE1-CG 3.98Å; F25-L117 HydrophobicContact CZ-CG 4.5Å; E113-L117 HydrophobicContact CG-CD1 4.14Å; E113-L117 WeakPolarHBondContact O-CG 3Å; E113-L117 PolarHBondContact O-N 3.03Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 2.77Å; L117-S120 WeakPolarHBondContact O-CB 3.49Å; L117-S120 PolarHBondContact O-N 2.95Å; L117-S120 VanDerWaalsContact O-N 3.14Å; L117-C121 PolarHBondContact O-N 3.45Å; L117-C121 PolarHBondContact O-SG 2.8Å
118S95.7Very high95.3Very high43 Ų4343.3 Ų43.330%0.30125%0.248SC..Hα-helixtrans-62.3-35.4175.6-62.90000112.3M90 K114 C121 L122M90-S118 VanDerWaalsContact SD-CB 3.51Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 3.45Å; K114-S118 PolarHBondContact O-OG 3.28Å; S118-C121 PolarHBondContact O-N 3.47Å; S118-L122 WeakPolarHBondContact O-CB 3.16Å; S118-L122 PolarHBondContact O-N 2.83Å
119L96.8Very high94.8Very high1 Ų146.1 Ų46.11%0.00527%0.268CS..Hα-helixtrans-68-36.4174.7-179.559.3000112.2F39 M41 V71 F73 V88 M90 V115 L116 L117 L122 L123F39-L119 HydrophobicContact CE2-CD2 4.3Å; F39-L119 HydrophobicContact CZ-CD2 4.12Å; M41-L119 HydrophobicContact CE-CB 3.92Å; M41-L119 HydrophobicContact CE-CD2 3.75Å; M41-L119 HydrophobicContact CE-CG 3.78Å; M41-L119 HydrophobicContact SD-CD2 4.22Å; M41-L119 HydrophobicContact SD-CG 3.94Å; V71-L119 HydrophobicContact CG1-CD2 4.13Å; F73-L119 HydrophobicContact CE2-CD1 4.02Å; F73-L119 HydrophobicContact CE2-CD2 3.96Å; F73-L119 HydrophobicContact CE2-CG 4.39Å; F73-L119 HydrophobicContact CZ-CD1 4.23Å; F73-L119 HydrophobicContact CZ-CD2 3.78Å; F73-L119 HydrophobicContact CZ-CG 4.17Å; V88-L119 HydrophobicContact CG1-CD1 3.86Å; V88-L119 HydrophobicContact CG2-CD1 4.24Å; M90-L119 HydrophobicContact CE-CB 4.12Å; V115-L119 WeakPolarHBondContact O-CB 3.34Å; V115-L119 PolarHBondContact O-N 2.92Å; L116-L119 PolarHBondContact O-N 2.99Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 2.77Å; L119-L122 HydrophobicContact CD1-CD2 4.1Å; L119-L122 WeakPolarHBondContact O-CB 3.4Å; L119-L122 PolarHBondContact O-N 3.41Å; L119-L123 PolarHBondContact O-N 3.19Å; L119-L123 VanDerWaalsContact O-N 3.13Å
120S96.6Very high94.2Very high13 Ų1343.7 Ų43.79%0.09126%0.256CS..Hα-helixtrans-60.7-47.1170.9-173.90000111.2P44 L116 L117 L122 L123 A124P44-S120 WeakPolarHBondContact CG-O 3.11Å; L116-S120 PolarHBondContact O-N 3.4Å; L117-S120 WeakPolarHBondContact O-CB 3.49Å; L117-S120 PolarHBondContact O-N 2.95Å; L117-S120 VanDerWaalsContact O-N 3.14Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 2.88Å; S120-L123 PolarHBondContact O-N 3.33Å; S120-A124 PolarHBondContact O-N 3.41Å
121C95.5Very high93.9Very high82 Ų8244.2 Ų44.255%0.55426%0.261SS*.Hα-helixtrans-60.5-39.4174.3-62.80000112.2L117 S118 L123 A124 E125L117-C121 PolarHBondContact O-N 3.45Å; L117-C121 PolarHBondContact O-SG 2.8Å; S118-C121 PolarHBondContact O-N 3.47Å; C121-L123 VanDerWaalsContact C-N 3.3Å; C121-L123 PolarHBondContact O-N 3.31Å; C121-A124 WeakPolarHBondContact O-CB 3.41Å; C121-A124 PolarHBondContact O-N 3.14Å; C121-A124 VanDerWaalsContact O-N 3.09Å; C121-E125 PolarHBondContact O-N 2.98Å
122L95.1Very high93.8Very high19 Ų1946.5 Ų46.510%0.09927%0.272CS..Hα-helixtrans-61.8-37.2178.2-174.665.6000112.2H79 N81 V88 M90 S118 L119 S120 A124 E125H79-L122 PolarHBondContact NE2-O 3.42Å; N81-L122 HydrophobicContact CB-CD1 4.21Å; N81-L122 HydrophobicContact CB-CD2 3.96Å; N81-L122 HydrophobicContact CB-CG 4.37Å; V88-L122 HydrophobicContact CG1-CD2 4.16Å; M90-L122 HydrophobicContact CB-CD2 4.25Å; M90-L122 HydrophobicContact SD-CB 4.48Å; M90-L122 HydrophobicContact SD-CD2 4.34Å; S118-L122 WeakPolarHBondContact O-CB 3.16Å; S118-L122 PolarHBondContact O-N 2.83Å; L119-L122 HydrophobicContact CD1-CD2 4.1Å; L119-L122 WeakPolarHBondContact O-CB 3.4Å; L119-L122 PolarHBondContact O-N 3.41Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 2.88Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-E125 CarbonylContact O-C 3.57Å; L122-E125 VanDerWaalsContact O-C 3.26Å; L122-E125 PolarHBondContact O-N 3.14Å
123L96.5Very high93.7Very high2 Ų247.2 Ų47.21%0.0128%0.276CS..Hα-helixtrans-65.4-35.9174.4-67.5179.2000112.1M41 P44 Y49 F54 M77 I82 L119 S120 C121M41-L123 HydrophobicContact CG-CD1 4.46Å; M41-L123 HydrophobicContact SD-CD1 3.72Å; P44-L123 HydrophobicContact CG-CB 4.11Å; Y49-L123 HydrophobicContact CD1-CD2 4.44Å; Y49-L123 HydrophobicContact CD2-CB 4.15Å; Y49-L123 VanDerWaalsContact CD2-O 3.23Å; Y49-L123 WeakPolarHBondContact CD2-O 3.45Å; Y49-L123 HydrophobicContact CE1-CD2 4.39Å; Y49-L123 VanDerWaalsContact CE2-O 3.24Å; Y49-L123 WeakPolarHBondContact CE2-O 3.45Å; Y49-L123 HydrophobicContact CG-CB 4.49Å; F54-L123 HydrophobicContact CD2-CD1 4.49Å; M77-L123 HydrophobicContact CE-CD2 3.76Å; I82-L123 HydrophobicContact CD1-CD2 4.19Å; L119-L123 PolarHBondContact O-N 3.19Å; L119-L123 VanDerWaalsContact O-N 3.13Å; S120-L123 PolarHBondContact O-N 3.33Å; C121-L123 VanDerWaalsContact C-N 3.3Å; C121-L123 PolarHBondContact O-N 3.31Å
124A95.7Very high93.6Very high45 Ų4551.6 Ų51.637%0.37230%0.296SS..Hα-helixtrans-72.6-39.2176.500000112.2P44 T47 S120 C121 L122 P126P44-A124 HydrophobicContact CG-CB 4.47Å; T47-A124 HydrophobicContact CG2-CB 3.69Å; S120-A124 PolarHBondContact O-N 3.41Å; C121-A124 WeakPolarHBondContact O-CB 3.41Å; C121-A124 PolarHBondContact O-N 3.14Å; C121-A124 VanDerWaalsContact O-N 3.09Å; L122-A124 VanDerWaalsContact C-N 3.31Å; A124-P126 WeakPolarHBondContact O-CD 3.24Å
125E94.2Very high93.7Very high158 Ų15849.8 Ų49.874%0.73829%0.293SS*.SBendtrans-127.379.9-174.6-64.2-178.4-168.600111.1C121 L122C121-E125 PolarHBondContact O-N 2.98Å; L122-E125 CarbonylContact O-C 3.57Å; L122-E125 VanDerWaalsContact O-C 3.26Å; L122-E125 PolarHBondContact O-N 3.14Å
126P93.4Very high93.7Very high32 Ų3249.7 Ų49.721%0.20829%0.293CS..  trans-62.9143.2178.8-20.531000112.1P80 A124 P128 L140P80-P126 HydrophobicContact CB-CB 4.45Å; P80-P126 HydrophobicContact CG-CB 3.78Å; A124-P126 WeakPolarHBondContact O-CD 3.24Å; P126-P128 WeakPolarHBondContact O-CD 3.23Å; P126-L140 HydrophobicContact CB-CD2 3.83Å; P126-L140 HydrophobicContact CG-CD2 4.25Å
127N90.2Very high93.6Very high67 Ų6750 Ų5036%0.35830%0.295SS..  trans-10595.6174.5-177.9-1000111.1N81 S129 S130N81-N127 PolarHBondContact ND2-O 2.85Å; N81-N127 PolarHBondContact OD1-N 2.91Å; N81-N127 PolarHBondContact OD1-O 3.46Å; N127-S129 PolarHBondContact ND2-OG 3.18Å; N127-S129 PolarHBondContact O-N 3.09Å; N127-S129 WeakPolarHBondContact OD1-CB 3.47Å; N127-S129 PolarHBondContact OD1-N 2.86Å; N127-S129 VanDerWaalsContact OD1-N 3.1Å; N127-S129 PolarHBondContact OD1-OG 2.84Å; N127-S130 PolarHBondContact O-N 3.38Å
128P88.3Confident93.7Very high41 Ų4154.7 Ų54.727%0.26631%0.309SS..G310 helixtrans-66-21.4-178.526.4-34.2000113.9P126 S130 S131 A137 M141P126-P128 WeakPolarHBondContact O-CD 3.23Å; P128-S130 VanDerWaalsContact C-N 3.32Å; P128-S130 PolarHBondContact O-N 3.08Å; P128-S131 WeakPolarHBondContact O-CB 3.47Å; P128-S131 PolarHBondContact O-OG 2.87Å; P128-A137 HydrophobicContact CB-CB 4.02Å; P128-M141 HydrophobicContact CB-CG 4.26Å; P128-M141 HydrophobicContact CB-SD 4Å; P128-M141 HydrophobicContact CG-CG 4.39Å; P128-M141 HydrophobicContact CG-SD 4.29Å
129S84.6Confident93.8Very high107 Ų10753.7 Ų53.775%0.74830%0.3SS*.G310 helixtrans-68.3-27-178.173.90000114N127N127-S129 PolarHBondContact ND2-OG 3.18Å; N127-S129 PolarHBondContact O-N 3.09Å; N127-S129 WeakPolarHBondContact OD1-CB 3.47Å; N127-S129 PolarHBondContact OD1-N 2.86Å; N127-S129 VanDerWaalsContact OD1-N 3.1Å; N127-S129 PolarHBondContact OD1-OG 2.84Å
130S83.3Confident93.8Very high50 Ų5055.1 Ų55.135%0.3531%0.307SS..G310 helixtrans-121.354.2179.4-1690000110.5N81 N127 P128N81-S130 PolarHBondContact ND2-O 3.06Å; N127-S130 PolarHBondContact O-N 3.38Å; P128-S130 VanDerWaalsContact C-N 3.32Å; P128-S130 PolarHBondContact O-N 3.08Å
131S88.3Confident93.7Very high35 Ų3561.4 Ų61.425%0.24534%0.337CS..  trans-86.1133.3-172.656.40000113.2P80 P128 A137P80-S131 CarbonylContact O-C 3.57Å; P80-S131 WeakPolarHBondContact O-CA 3.39Å; P80-S131 WeakPolarHBondContact O-CB 3.29Å; P128-S131 WeakPolarHBondContact O-CB 3.47Å; P128-S131 PolarHBondContact O-OG 2.87Å; S131-A137 WeakPolarHBondContact OG-CB 3.37Å
132L93.8Very high93.7Very high80 Ų8061.8 Ų61.842%0.41934%0.341SS..SBendtrans-84.8-23.7164.5-67.5-177.3000111.6P80 R87 C89P80-L132 PolarHBondContact O-N 2.86Å; R87-L132 VanDerWaalsContact O-CD1 3.25Å; R87-L132 WeakPolarHBondContact O-CD1 3.4Å; C89-L132 HydrophobicContact CB-CD1 3.54Å; C89-L132 HydrophobicContact CB-CD2 4.08Å; C89-L132 HydrophobicContact CB-CG 3.52Å
133N95.8Very high93.8Very high15 Ų1564.2 Ų64.28%0.0835%0.354CS..  trans-114.790.5177.2-176-14.9000109.6H79 P80 I82 T135 A136 A137H79-N133 WeakPolarHBondContact O-CB 3.5Å; P80-N133 PolarHBondContact O-N 2.83Å; I82-N133 WeakPolarHBondContact O-CB 3.45Å; N133-T135 PolarHBondContact O-N 3.46Å; N133-T135 WeakPolarHBondContact OD1-CB 3.32Å; N133-T135 PolarHBondContact OD1-N 2.79Å; N133-A136 HydrophobicContact CB-CB 4.01Å; N133-A136 VanDerWaalsContact CG-CB 3.5Å; N133-A136 PolarHBondContact O-N 3.11Å; N133-A136 VanDerWaalsContact O-N 3.17Å; N133-A136 PolarHBondContact OD1-N 3.49Å; N133-A137 PolarHBondContact O-N 3.47Å
134Q95.7Very high93.8Very high140 Ų14070 Ų7065%0.65438%0.375SS*.Hα-helixtrans-61.2-29.3-179-63.2178.632.200112.6R138Q134-R138 VanDerWaalsContact O-CB 3.26Å; Q134-R138 WeakPolarHBondContact O-CB 3.42Å; Q134-R138 PolarHBondContact O-N 2.75Å
135T96.7Very high93.9Very high58 Ų5874.1 Ų74.136%0.35639%0.391SS..Hα-helixtrans-68.6-46.3175.9-56.70000111F78 N133 R138 L139F78-T135 HydrophobicContact CZ-CG2 4.41Å; N133-T135 PolarHBondContact O-N 3.46Å; N133-T135 WeakPolarHBondContact OD1-CB 3.32Å; N133-T135 PolarHBondContact OD1-N 2.79Å; T135-R138 PolarHBondContact O-N 3.24Å; T135-L139 HydrophobicContact CG2-CD1 4.06Å; T135-L139 WeakPolarHBondContact O-CG 3.47Å; T135-L139 PolarHBondContact O-N 3.33Å
136A97.4Very high94.1Very high0 Ų068.3 Ų68.30%036%0.364CS..Hα-helixtrans-62.6-43.417600000111.4F78 P80 N133 L140 Y147F78-A136 HydrophobicContact CD1-CB 4.3Å; F78-A136 HydrophobicContact CE1-CB 3.86Å; F78-A136 HydrophobicContact CE2-CB 4.09Å; F78-A136 HydrophobicContact CZ-CB 3.73Å; P80-A136 HydrophobicContact CG-CB 4.27Å; N133-A136 HydrophobicContact CB-CB 4.01Å; N133-A136 VanDerWaalsContact CG-CB 3.5Å; N133-A136 PolarHBondContact O-N 3.11Å; N133-A136 VanDerWaalsContact O-N 3.17Å; N133-A136 PolarHBondContact OD1-N 3.49Å; A136-L140 VanDerWaalsContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 PolarHBondContact O-N 3.14Å; A136-Y147 HydrophobicContact CB-CE2 4.26Å
137A96.9Very high94.3Very high6 Ų666.9 Ų66.95%0.0536%0.355CS..Hα-helixtrans-61.6-45176.700000112.5P80 P128 S131 N133 L140 M141P80-A137 HydrophobicContact CB-CB 4.11Å; P128-A137 HydrophobicContact CB-CB 4.02Å; S131-A137 WeakPolarHBondContact OG-CB 3.37Å; N133-A137 PolarHBondContact O-N 3.47Å; A137-L140 PolarHBondContact O-N 2.92Å; A137-M141 WeakPolarHBondContact O-CG 3.41Å; A137-M141 PolarHBondContact O-N 3Å
138R97.2Very high94.7Very high155 Ų15565.3 Ų65.359%0.58535%0.346SS*.Hα-helixtrans-61.3-52.2177.7-172.3-168.4-45.9170.85.2111.5Q134 T135 L140 M141 S142Q134-R138 VanDerWaalsContact O-CB 3.26Å; Q134-R138 WeakPolarHBondContact O-CB 3.42Å; Q134-R138 PolarHBondContact O-N 2.75Å; T135-R138 PolarHBondContact O-N 3.24Å; R138-L140 VanDerWaalsContact C-N 3.31Å; R138-L140 PolarHBondContact O-N 3.32Å; R138-M141 PolarHBondContact O-N 2.92Å; R138-S142 WeakPolarHBondContact O-CB 3.46Å; R138-S142 PolarHBondContact O-N 3.29Å; R138-S142 PolarHBondContact O-OG 3.43Å
139L97.5Very high95.2Very high21 Ų2169.4 Ų69.411%0.1136%0.357CS..Hα-helixtrans-61.8-41-179.7-68.2173.5000111.1F78 T135 M141 S142 D143 R144 E146F78-L139 HydrophobicContact CE1-CD1 4.39Å; F78-L139 HydrophobicContact CZ-CD1 3.96Å; T135-L139 HydrophobicContact CG2-CD1 4.06Å; T135-L139 WeakPolarHBondContact O-CG 3.47Å; T135-L139 PolarHBondContact O-N 3.33Å; L139-M141 PolarHBondContact O-N 2.93Å; L139-M141 VanDerWaalsContact O-N 3.14Å; L139-S142 PolarHBondContact O-N 3.46Å; L139-D143 CarbonylContact C-O 3.59Å; L139-D143 HydrophobicContact CD2-CB 3.98Å; L139-D143 CarbonylContact O-C 2.98Å; L139-D143 WeakPolarHBondContact O-CA 3.33Å; L139-D143 PolarHBondContact O-N 2.93Å; L139-R144 PolarHBondContact O-N 2.89Å; L139-E146 HydrophobicContact CD1-CG 3.92Å; L139-E146 HydrophobicContact CD2-CB 4.26Å; L139-E146 HydrophobicContact CD2-CG 3.92Å
140L96.4Very high95.8Very high31 Ų3168.5 Ų68.516%0.16234%0.337CS..Hα-helixtrans-55-35.3174.5179.562000112.7P80 P126 A136 A137 R138 Y147P80-L140 HydrophobicContact CG-CD2 3.77Å; P126-L140 HydrophobicContact CB-CD2 3.83Å; P126-L140 HydrophobicContact CG-CD2 4.25Å; A136-L140 VanDerWaalsContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 PolarHBondContact O-N 3.14Å; A137-L140 PolarHBondContact O-N 2.92Å; R138-L140 VanDerWaalsContact C-N 3.31Å; R138-L140 PolarHBondContact O-N 3.32Å; L140-Y147 HydrophobicContact CB-CD2 3.98Å; L140-Y147 HydrophobicContact CB-CE2 4.15Å; L140-Y147 HydrophobicContact CB-CG 4.26Å; L140-Y147 HydrophobicContact CD1-CD1 3.96Å; L140-Y147 HydrophobicContact CD1-CE1 3.83Å; L140-Y147 HydrophobicContact CD1-CG 4.38Å
141M95.2Very high96.5Very high146 Ų14666.1 Ų66.172%0.71932%0.32SS*.Hα-helixtrans-89.2-32.1-179.2-65.3178.971.800114.3P128 A137 R138 L139P128-M141 HydrophobicContact CB-CG 4.26Å; P128-M141 HydrophobicContact CB-SD 4Å; P128-M141 HydrophobicContact CG-CG 4.39Å; P128-M141 HydrophobicContact CG-SD 4.29Å; A137-M141 WeakPolarHBondContact O-CG 3.41Å; A137-M141 PolarHBondContact O-N 3Å; R138-M141 PolarHBondContact O-N 2.92Å; L139-M141 PolarHBondContact O-N 2.93Å; L139-M141 VanDerWaalsContact O-N 3.14Å
142S96.4Very high96.9Very high89 Ų8970 Ų7062%0.62233%0.333SS*.Hα-helixtrans-113.8-22.6-169.870.60000115.1R138 L139R138-S142 WeakPolarHBondContact O-CB 3.46Å; R138-S142 PolarHBondContact O-N 3.29Å; R138-S142 PolarHBondContact O-OG 3.43Å; L139-S142 PolarHBondContact O-N 3.46Å
143D97Very high97Very high71 Ų7169 Ų6938%0.3833%0.327SS..  trans-153.880.3-174.4-173.5-13.3000109.9L139 D145 E146 Y147L139-D143 CarbonylContact C-O 3.59Å; L139-D143 HydrophobicContact CD2-CB 3.98Å; L139-D143 CarbonylContact O-C 2.98Å; L139-D143 WeakPolarHBondContact O-CA 3.33Å; L139-D143 PolarHBondContact O-N 2.93Å; D143-D145 VanDerWaalsContact C-N 3.28Å; D143-D145 PolarHBondContact O-N 2.88Å; D143-E146 HydrophobicContact CB-CB 4.35Å; D143-E146 VanDerWaalsContact CG-CB 3.45Å; D143-E146 PolarHBondContact O-N 2.77Å; D143-E146 WeakPolarHBondContact OD1-CB 3.45Å; D143-E146 PolarHBondContact OD1-N 2.96Å; D143-E146 WeakPolarHBondContact OD2-CB 3.5Å; D143-Y147 PolarHBondContact O-N 2.93Å; D143-Y147 VanDerWaalsContact O-N 3.08Å
144R96.5Very high97.1Very high122 Ų12268.3 Ų68.346%0.4632%0.324SS..Hα-helixtrans-64.3-34.2-174.8-177.260.2-170.8-119.80.4112.2L139 Y147 D148L139-R144 PolarHBondContact O-N 2.89Å; R144-Y147 WeakPolarHBondContact O-CB 3.39Å; R144-Y147 PolarHBondContact O-N 2.84Å; R144-D148 IonicContact CZ-OD1 3.27Å; R144-D148 IonicContact NE-OD1 2.97Å; R144-D148 PolarHBondContact NE-OD1 3.23Å; R144-D148 IonicContact NE-OD2 3.79Å; R144-D148 PolarHBondContact NE-OD2 2.77Å; R144-D148 IonicContact NH2-OD1 2.8Å; R144-D148 PolarHBondContact NH2-OD1 3.46Å; R144-D148 WeakPolarHBondContact O-CB 3.4Å; R144-D148 PolarHBondContact O-N 3.13Å
145D97.7Very high97.2Very high132 Ų13262.4 Ų62.471%0.70630%0.297SS*.Hα-helixtrans-66.1-44.9-179.4-69.6-19.8000111.2D143 D148 R149D143-D145 VanDerWaalsContact C-N 3.28Å; D143-D145 PolarHBondContact O-N 2.88Å; D145-D148 PolarHBondContact O-N 3.45Å; D145-R149 WeakPolarHBondContact O-CB 3.46Å; D145-R149 PolarHBondContact O-N 3.31Å
146E98.2Very high97.1Very high37 Ų3765.1 Ų65.117%0.17331%0.305CS..Hα-helixtrans-68.5-35.6175.6176.760.6-172.200112L139 D143 R149 R150L139-E146 HydrophobicContact CD1-CG 3.92Å; L139-E146 HydrophobicContact CD2-CB 4.26Å; L139-E146 HydrophobicContact CD2-CG 3.92Å; D143-E146 HydrophobicContact CB-CB 4.35Å; D143-E146 VanDerWaalsContact CG-CB 3.45Å; D143-E146 PolarHBondContact O-N 2.77Å; D143-E146 WeakPolarHBondContact OD1-CB 3.45Å; D143-E146 PolarHBondContact OD1-N 2.96Å; D143-E146 WeakPolarHBondContact OD2-CB 3.5Å; E146-R149 VanDerWaalsContact CD-NH2 3.3Å; E146-R149 IonicContact OE1-CZ 3.14Å; E146-R149 IonicContact OE1-NE 3.26Å; E146-R149 IonicContact OE1-NH2 2.69Å; E146-R149 PolarHBondContact OE1-NH2 2.6Å; E146-R149 IonicContact OE2-CZ 2.78Å; E146-R149 VanDerWaalsContact OE2-CZ 3.27Å; E146-R149 IonicContact OE2-NE 3.3Å; E146-R149 PolarHBondContact OE2-NE 3.1Å; E146-R149 IonicContact OE2-NH2 3.8Å; E146-R149 PolarHBondContact OE2-NH2 3.46Å; E146-R150 WeakPolarHBondContact O-CG 3.21Å; E146-R150 PolarHBondContact O-N 3.47Å; E146-R150 VanDerWaalsContact O-N 3.15Å; E146-R150 IonicContact OE1-CZ 3.24Å; E146-R150 VanDerWaalsContact OE1-CZ 3.24Å; E146-R150 IonicContact OE1-NE 2.72Å; E146-R150 PolarHBondContact OE1-NE 3Å; E146-R150 IonicContact OE1-NH2 2.86Å; E146-R150 PolarHBondContact OE1-NH2 3.25Å
147Y98.1Very high97Very high1 Ų167.1 Ų67.10%0.00432%0.315CS..Hα-helixtrans-58.8-53.7171.3174.7-96.3000110.8I48 Y49 F78 P80 A136 L140 D143 R144 R149 R150 V151I48-Y147 HydrophobicContact CG2-CE1 4.3Å; Y49-Y147 PolarHBondContact OH-OH 3.23Å; F78-Y147 HydrophobicContact CD1-CD2 4.23Å; F78-Y147 HydrophobicContact CD1-CE2 4.27Å; F78-Y147 AromaticContact CE1-CD2 3.74Å; F78-Y147 HydrophobicContact CE1-CD2 3.74Å; F78-Y147 HydrophobicContact CE1-CE2 4.15Å; P80-Y147 HydrophobicContact CG-CE2 4.42Å; A136-Y147 HydrophobicContact CB-CE2 4.26Å; L140-Y147 HydrophobicContact CB-CD2 3.98Å; L140-Y147 HydrophobicContact CB-CE2 4.15Å; L140-Y147 HydrophobicContact CB-CG 4.26Å; L140-Y147 HydrophobicContact CD1-CD1 3.96Å; L140-Y147 HydrophobicContact CD1-CE1 3.83Å; L140-Y147 HydrophobicContact CD1-CG 4.38Å; D143-Y147 PolarHBondContact O-N 2.93Å; D143-Y147 VanDerWaalsContact O-N 3.08Å; R144-Y147 WeakPolarHBondContact O-CB 3.39Å; R144-Y147 PolarHBondContact O-N 2.84Å; Y147-R149 VanDerWaalsContact C-N 3.31Å; Y147-R149 PolarHBondContact O-N 2.88Å; Y147-R150 PolarHBondContact O-N 3.15Å; Y147-R150 VanDerWaalsContact O-N 3.11Å; Y147-V151 HydrophobicContact CD1-CG2 4.22Å; Y147-V151 HydrophobicContact CE1-CG2 3.8Å; Y147-V151 HydrophobicContact CE2-CG2 4.11Å; Y147-V151 WeakPolarHBondContact O-CG2 3.25Å; Y147-V151 PolarHBondContact O-N 2.8Å
148D97.8Very high97Very high35 Ų3567.4 Ų67.419%0.18732%0.316CS..Hα-helixtrans-61.9-39.1-178.1-77.5-2.5000111.4I48 R144 D145 R150 V151 K152I48-D148 HydrophobicContact CD1-CB 3.77Å; I48-D148 HydrophobicContact CG1-CB 4.1Å; R144-D148 IonicContact CZ-OD1 3.27Å; R144-D148 IonicContact NE-OD1 2.97Å; R144-D148 PolarHBondContact NE-OD1 3.23Å; R144-D148 IonicContact NE-OD2 3.79Å; R144-D148 PolarHBondContact NE-OD2 2.77Å; R144-D148 IonicContact NH2-OD1 2.8Å; R144-D148 PolarHBondContact NH2-OD1 3.46Å; R144-D148 WeakPolarHBondContact O-CB 3.4Å; R144-D148 PolarHBondContact O-N 3.13Å; D145-D148 PolarHBondContact O-N 3.45Å; D148-R150 VanDerWaalsContact C-N 3.35Å; D148-R150 PolarHBondContact O-N 3.34Å; D148-V151 PolarHBondContact O-N 2.97Å; D148-K152 WeakPolarHBondContact O-CG 3.21Å; D148-K152 PolarHBondContact O-N 3.06Å
149R98.1Very high96.7Very high127 Ų12763.7 Ų63.748%0.47931%0.307SS..Hα-helixtrans-59.2-43.5174.7-168.6-174.270.284.61.2112.1D145 E146 Y147 K152 I153D145-R149 WeakPolarHBondContact O-CB 3.46Å; D145-R149 PolarHBondContact O-N 3.31Å; E146-R149 VanDerWaalsContact CD-NH2 3.3Å; E146-R149 IonicContact OE1-CZ 3.14Å; E146-R149 IonicContact OE1-NE 3.26Å; E146-R149 IonicContact OE1-NH2 2.69Å; E146-R149 PolarHBondContact OE1-NH2 2.6Å; E146-R149 IonicContact OE2-CZ 2.78Å; E146-R149 VanDerWaalsContact OE2-CZ 3.27Å; E146-R149 IonicContact OE2-NE 3.3Å; E146-R149 PolarHBondContact OE2-NE 3.1Å; E146-R149 IonicContact OE2-NH2 3.8Å; E146-R149 PolarHBondContact OE2-NH2 3.46Å; Y147-R149 VanDerWaalsContact C-N 3.31Å; Y147-R149 PolarHBondContact O-N 2.88Å; R149-K152 PolarHBondContact O-N 2.85Å; R149-I153 WeakPolarHBondContact O-CG1 3.4Å; R149-I153 PolarHBondContact O-N 3.41Å
150R97.8Very high96Very high87 Ų8768.9 Ų68.933%0.32834%0.335SS..Hα-helixtrans-70.6-35.4178.7-70.4-178.9-173.2-153.83.8112.7F78 E146 Y147 D148 T154F78-R150 HydrophobicContact CD1-CB 3.49Å; F78-R150 VanDerWaalsContact CD1-CB 3.49Å; F78-R150 HydrophobicContact CD2-CB 4.45Å; F78-R150 HydrophobicContact CE1-CB 3.64Å; F78-R150 HydrophobicContact CE1-CG 4.3Å; F78-R150 HydrophobicContact CG-CB 3.93Å; F78-R150 HydrophobicContact CZ-CB 4.22Å; F78-R150 VanDerWaalsContact CZ-CD 3.43Å; F78-R150 HydrophobicContact CZ-CG 4.49Å; E146-R150 WeakPolarHBondContact O-CG 3.21Å; E146-R150 PolarHBondContact O-N 3.47Å; E146-R150 VanDerWaalsContact O-N 3.15Å; E146-R150 IonicContact OE1-CZ 3.24Å; E146-R150 VanDerWaalsContact OE1-CZ 3.24Å; E146-R150 IonicContact OE1-NE 2.72Å; E146-R150 PolarHBondContact OE1-NE 3Å; E146-R150 IonicContact OE1-NH2 2.86Å; E146-R150 PolarHBondContact OE1-NH2 3.25Å; Y147-R150 PolarHBondContact O-N 3.15Å; Y147-R150 VanDerWaalsContact O-N 3.11Å; D148-R150 VanDerWaalsContact C-N 3.35Å; D148-R150 PolarHBondContact O-N 3.34Å; R150-T154 PolarHBondContact O-N 3.11Å; R150-T154 PolarHBondContact O-OG1 2.72Å
151V97.6Very high94.7Very high0 Ų074.5 Ų74.50%036%0.358CS..Hα-helixtrans-66.8-41.6174.2179.30000110.8I48 Y49 F78 Y147 D148 I153 T154 V155I48-V151 HydrophobicContact CB-CG1 4.26Å; I48-V151 HydrophobicContact CG1-CB 3.8Å; I48-V151 HydrophobicContact CG1-CG1 3.8Å; I48-V151 HydrophobicContact CG2-CB 4.24Å; I48-V151 HydrophobicContact CG2-CG1 3.77Å; I48-V151 HydrophobicContact CG2-CG2 4.33Å; Y49-V151 HydrophobicContact CD1-CG1 3.59Å; Y49-V151 HydrophobicContact CD2-CG1 4.47Å; Y49-V151 HydrophobicContact CE1-CG1 3.41Å; Y49-V151 VanDerWaalsContact CE1-CG1 3.41Å; Y49-V151 HydrophobicContact CE1-CG2 4.32Å; Y49-V151 HydrophobicContact CE2-CG1 4.32Å; Y49-V151 HydrophobicContact CG-CG1 4.12Å; F78-V151 HydrophobicContact CD1-CG2 4.04Å; F78-V151 WeakPolarHBondContact O-CG2 3.17Å; Y147-V151 HydrophobicContact CD1-CG2 4.22Å; Y147-V151 HydrophobicContact CE1-CG2 3.8Å; Y147-V151 HydrophobicContact CE2-CG2 4.11Å; Y147-V151 WeakPolarHBondContact O-CG2 3.25Å; Y147-V151 PolarHBondContact O-N 2.8Å; D148-V151 PolarHBondContact O-N 2.97Å; V151-I153 VanDerWaalsContact C-N 3.32Å; V151-I153 PolarHBondContact O-N 2.92Å; V151-T154 CarbonylContact O-C 3.41Å; V151-T154 WeakPolarHBondContact O-CA 3.37Å; V151-T154 WeakPolarHBondContact O-CB 3.37Å; V151-T154 PolarHBondContact O-N 3.15Å; V151-V155 HydrophobicContact CG1-CG2 4.31Å; V151-V155 PolarHBondContact O-N 3.36Å
152K97.1Very high92.8Very high117 Ų11770.7 Ų70.751%0.50934%0.339SS..Hα-helixtrans-57.1-42.7175.9-75173.3-179.7176.60112.9I48 D148 R149 T154 V155 E156I48-K152 HydrophobicContact CD1-CD 4.45Å; I48-K152 HydrophobicContact CD1-CG 4.03Å; D148-K152 WeakPolarHBondContact O-CG 3.21Å; D148-K152 PolarHBondContact O-N 3.06Å; R149-K152 PolarHBondContact O-N 2.85Å; K152-T154 PolarHBondContact O-N 3.44Å; K152-V155 WeakPolarHBondContact O-CB 3.44Å; K152-V155 PolarHBondContact O-N 3.08Å; K152-E156 WeakPolarHBondContact O-CG 3.26Å; K152-E156 PolarHBondContact O-N 3.39Å
153I97.1Very high90.1Very high58 Ų5871.5 Ų71.530%0.29734%0.342SS..Hα-helixtrans-58.9-40.4173.2-64.6166.2000110.9R149 V151 E156 E157R149-I153 WeakPolarHBondContact O-CG1 3.4Å; R149-I153 PolarHBondContact O-N 3.41Å; V151-I153 VanDerWaalsContact C-N 3.32Å; V151-I153 PolarHBondContact O-N 2.92Å; I153-E156 PolarHBondContact O-N 2.86Å; I153-E157 HydrophobicContact CG2-CG 4.49Å; I153-E157 WeakPolarHBondContact O-CB 3.39Å; I153-E157 WeakPolarHBondContact O-CG 3.48Å; I153-E157 PolarHBondContact O-N 3Å
154T96.4Very high87.4Confident2 Ų273.3 Ų73.31%0.01236%0.36CS..Hα-helixtrans-64.7-43178.1-53.90000111.4F54 R76 M77 F78 R150 V151 K152 S158F54-T154 HydrophobicContact CE1-CG2 4.14Å; R76-T154 WeakPolarHBondContact O-CG2 3.5Å; M77-T154 HydrophobicContact SD-CG2 4.34Å; F78-T154 WeakPolarHBondContact CB-OG1 3.38Å; R150-T154 PolarHBondContact O-N 3.11Å; R150-T154 PolarHBondContact O-OG1 2.72Å; V151-T154 CarbonylContact O-C 3.41Å; V151-T154 WeakPolarHBondContact O-CA 3.37Å; V151-T154 WeakPolarHBondContact O-CB 3.37Å; V151-T154 PolarHBondContact O-N 3.15Å; K152-T154 PolarHBondContact O-N 3.44Å; T154-S158 WeakPolarHBondContact O-CB 3.37Å; T154-S158 PolarHBondContact O-N 3.41Å; T154-S158 VanDerWaalsContact O-N 3.1Å
155V97.3Very high84.8Confident15 Ų1579 Ų799%0.09138%0.381CS..Hα-helixtrans-60.4-50.2174.7169.40000110.6F54 V151 K152 E157 S158 I159F54-V155 HydrophobicContact CZ-CG2 4.08Å; V151-V155 HydrophobicContact CG1-CG2 4.31Å; V151-V155 PolarHBondContact O-N 3.36Å; K152-V155 WeakPolarHBondContact O-CB 3.44Å; K152-V155 PolarHBondContact O-N 3.08Å; V155-E157 PolarHBondContact O-N 3.17Å; V155-S158 WeakPolarHBondContact O-CB 3.48Å; V155-S158 PolarHBondContact O-N 3.34Å; V155-S158 VanDerWaalsContact O-N 3.15Å; V155-S158 PolarHBondContact O-OG 3.25Å; V155-I159 HydrophobicContact CG1-CD1 4.44Å; V155-I159 PolarHBondContact O-N 2.99Å
156E96.3Very high81.8Confident115 Ų11580.2 Ų80.254%0.53739%0.387SS..Hα-helixtrans-59.9-45.5178.9-71.4169.5-170.900112.3K152 I153 S158 I159 N160K152-E156 WeakPolarHBondContact O-CG 3.26Å; K152-E156 PolarHBondContact O-N 3.39Å; I153-E156 PolarHBondContact O-N 2.86Å; E156-S158 VanDerWaalsContact C-N 3.25Å; E156-S158 PolarHBondContact O-N 2.92Å; E156-I159 PolarHBondContact O-N 3.42Å; E156-N160 PolarHBondContact O-N 3.5Å; E156-N160 PolarHBondContact O-ND2 3.45Å; E156-N160 VanDerWaalsContact O-ND2 3.17Å
157E95.7Very high78.6Confident43 Ų4383 Ų8320%0.20142%0.416CS..Hα-helixtrans-60.4-35.6176.6-79-171.3-147.700112.6R76 I153 V155 I159 N160 K161R76-E157 WeakPolarHBondContact CD-OE2 3.37Å; R76-E157 IonicContact CZ-OE1 2.72Å; R76-E157 IonicContact NH1-OE1 3.95Å; R76-E157 PolarHBondContact NH1-OE1 3.21Å; I153-E157 HydrophobicContact CG2-CG 4.49Å; I153-E157 WeakPolarHBondContact O-CB 3.39Å; I153-E157 WeakPolarHBondContact O-CG 3.48Å; I153-E157 PolarHBondContact O-N 3Å; V155-E157 PolarHBondContact O-N 3.17Å; E157-I159 VanDerWaalsContact C-N 3.27Å; E157-I159 PolarHBondContact O-N 3.24Å; E157-N160 PolarHBondContact O-N 2.83Å; E157-K161 WeakPolarHBondContact O-CB 3.26Å; E157-K161 WeakPolarHBondContact O-CG 3.37Å; E157-K161 PolarHBondContact O-N 3.31Å; E157-K161 IonicContact OE2-NZ 3.66Å; E157-K161 PolarHBondContact OE2-NZ 3.14Å
158S95.1Very high75.7Confident11 Ų1193.8 Ų93.88%0.07747%0.474CS..Hα-helixtrans-65.6-31.2-177.282.80000112.7G52 I53 T154 V155 E156G52-S158 WeakPolarHBondContact CA-OG 3.42Å; I53-S158 PolarHBondContact N-OG 2.72Å; I53-S158 VanDerWaalsContact O-CB 3.29Å; I53-S158 WeakPolarHBondContact O-CB 3.43Å; T154-S158 WeakPolarHBondContact O-CB 3.37Å; T154-S158 PolarHBondContact O-N 3.41Å; T154-S158 VanDerWaalsContact O-N 3.1Å; V155-S158 WeakPolarHBondContact O-CB 3.48Å; V155-S158 PolarHBondContact O-N 3.34Å; V155-S158 VanDerWaalsContact O-N 3.15Å; V155-S158 PolarHBondContact O-OG 3.25Å; E156-S158 VanDerWaalsContact C-N 3.25Å; E156-S158 PolarHBondContact O-N 2.92Å
159I91.6Very high74.6Confident77 Ų7796.7 Ų96.740%0.39549%0.488SS..Hα-helixtrans-84.9-41-180-54.8165.7000110.3N51 V155 E156 E157 K161 Q162N51-I159 VanDerWaalsContact O-CD1 3.32Å; N51-I159 WeakPolarHBondContact O-CD1 3.5Å; V155-I159 HydrophobicContact CG1-CD1 4.44Å; V155-I159 PolarHBondContact O-N 2.99Å; E156-I159 PolarHBondContact O-N 3.42Å; E157-I159 VanDerWaalsContact C-N 3.27Å; E157-I159 PolarHBondContact O-N 3.24Å; I159-K161 PolarHBondContact O-N 2.86Å; I159-Q162 PolarHBondContact O-N 2.99Å
160N83.7Confident73.3Confident131 Ų13195.1 Ų95.170%0.70149%0.489SS*.Hα-helixtrans-73.4-27.5-174.9-70.9-33.4000114.1E156 E157 Q162E156-N160 PolarHBondContact O-N 3.5Å; E156-N160 PolarHBondContact O-ND2 3.45Å; E156-N160 VanDerWaalsContact O-ND2 3.17Å; E157-N160 PolarHBondContact O-N 2.83Å; N160-Q162 VanDerWaalsContact C-N 3.25Å; N160-Q162 PolarHBondContact O-N 2.97Å
161K68.5Low72Confident149 Ų14995.6 Ų95.665%0.64850%0.498SS*.THydrogen-bonded Turntrans-84.88.2179.7-70.4176.1179.71630113.6E157 I159E157-K161 WeakPolarHBondContact O-CB 3.26Å; E157-K161 WeakPolarHBondContact O-CG 3.37Å; E157-K161 PolarHBondContact O-N 3.31Å; E157-K161 IonicContact OE2-NZ 3.66Å; E157-K161 PolarHBondContact OE2-NZ 3.14Å; I159-K161 PolarHBondContact O-N 2.86Å
162Q54.3Low70.5Confident66 Ų66101.2 Ų101.231%0.30853%0.527SS..SBendtrans-67.6127.7169.7-64-144.2-4.800109I53 I159 N160 S164I53-Q162 VanDerWaalsContact CG2-NE2 3.32Å; I159-Q162 PolarHBondContact O-N 2.99Å; N160-Q162 VanDerWaalsContact C-N 3.25Å; N160-Q162 PolarHBondContact O-N 2.97Å; Q162-S164 PolarHBondContact O-N 3.05Å
163P41Very low68.8Low105 Ų105100.2 Ų100.268%0.68253%0.528SS*.  trans-57118.8169.720-24.4000106.2R165P163-R165 PolarHBondContact O-N 2.84Å; P163-R165 VanDerWaalsContact O-N 3.09Å
164S40.6Very low66.9Low110 Ų110103 Ų10377%0.76954%0.544SS*.  trans-40.2120.6175.948.70000108.3Q162 L166Q162-S164 PolarHBondContact O-N 3.05Å; S164-L166 PolarHBondContact O-N 3.41Å
165R42Very low64.8Low240 Ų240110.2 Ų110.291%0.90658%0.582SS**  trans-44122.7169.9-79.7-179.1170.3-179.5-2.8107.4P163 A167P163-R165 PolarHBondContact O-N 2.84Å; P163-R165 VanDerWaalsContact O-N 3.09Å; R165-A167 PolarHBondContact O-N 2.94Å; R165-A167 VanDerWaalsContact O-N 3.11Å
166L34.6Very low62.3Low159 Ų159117.5 Ų117.583%0.83262%0.619SS**  trans-23.7111.2173.9-69.7152.3000111.1S164 N168S164-L166 PolarHBondContact O-N 3.41Å; L166-N168 PolarHBondContact O-N 3.21Å; L166-N168 VanDerWaalsContact O-N 3.15Å
167A30.9Very low59.5Low94 Ų94117.8 Ų117.878%0.77763%0.626SS**  trans-61.9106.4149.400000106.3R165R165-A167 PolarHBondContact O-N 2.94Å; R165-A167 VanDerWaalsContact O-N 3.11Å
168N35.8Very low56.2Low228 Ų228124.5 Ų124.5100%1.21967%0.665SS**  trans-151.80147.4-92-11.8000106.5L166L166-N168 PolarHBondContact O-N 3.21Å; L166-N168 VanDerWaalsContact O-N 3.15Å

Retrieved 168 of 168 residues in 174.6 ms (Link to these results)

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