A0A077Z2M4_TRITR Loading...

Ubiquitin-conjugating enzyme E2 G2

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-48'-linked polyubiquitination. Involved in endoplasmic reticulum-associated degradation (ERAD). Required for sterol-induced ubiquitination of 3-hydroxy-3-methylglutaryl coenzyme A reductase and its subsequent proteasomal degradation.

AlphaFold DB , UniProt , Accession A0A077Z2M4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M57.3Low91.7Very high179 Ų17967.5 Ų67.588%0.88235%0.349SS*.  01270-162.3-176.9-62.400105.8A3 K5 R6M1-A3 PolarHBondContact O-N 2.92Å; M1-K5 HydrophobicContact CG-CD 4.5Å; M1-R6 HydrophobicContact SD-CB 4.26Å
2C86.4Confident92.1Very high89 Ų8973.7 Ų73.760%0.60137%0.372SS*.  trans-58.6129.9178.8-179.60000109.1L4 K5 R6C2-L4 PolarHBondContact O-N 3.38Å; C2-L4 VanDerWaalsContact O-N 3.15Å; C2-K5 HydrophobicContact CB-CB 4.41Å; C2-K5 WeakPolarHBondContact O-CA 3.03Å; C2-K5 WeakPolarHBondContact O-CB 3.42Å; C2-K5 PolarHBondContact O-N 3.27Å; C2-R6 PolarHBondContact O-N 3.35Å
3A93.9Very high92.4Very high8 Ų876.4 Ų76.47%0.06638%0.382CS..Hα-helixtrans-49.2-42.2-177.900000111.8M1 K5 R6 L7 F33 Q60 Y62M1-A3 PolarHBondContact O-N 2.92Å; A3-K5 PolarHBondContact O-N 3.48Å; A3-R6 WeakPolarHBondContact O-CB 3.5Å; A3-R6 PolarHBondContact O-N 2.95Å; A3-R6 VanDerWaalsContact O-N 3.1Å; A3-L7 WeakPolarHBondContact O-CG 3.23Å; A3-L7 PolarHBondContact O-N 3.3Å; A3-F33 HydrophobicContact CB-CE1 3.75Å; A3-F33 HydrophobicContact CB-CZ 3.83Å; A3-Q60 WeakPolarHBondContact CB-O 3.37Å; A3-Y62 VanDerWaalsContact CA-O 3.3Å; A3-Y62 WeakPolarHBondContact CA-O 3.47Å; A3-Y62 WeakPolarHBondContact CB-O 3.39Å
4L95.3Very high92.7Very high64 Ų6471.6 Ų71.634%0.33536%0.358SS..Hα-helixtrans-56-45.1174.8-175.460.8000113.4C2 R6 L7 M8 F32C2-L4 PolarHBondContact O-N 3.38Å; C2-L4 VanDerWaalsContact O-N 3.15Å; L4-R6 VanDerWaalsContact C-N 3.28Å; L4-R6 PolarHBondContact O-N 2.91Å; L4-L7 PolarHBondContact O-N 3.03Å; L4-M8 HydrophobicContact CD1-CE 3.77Å; L4-M8 HydrophobicContact CD1-CG 4.42Å; L4-M8 HydrophobicContact CD1-SD 4.49Å; L4-M8 HydrophobicContact CD2-CE 4Å; L4-M8 HydrophobicContact CG-CE 3.75Å; L4-M8 HydrophobicContact CG-SD 4.16Å; L4-M8 WeakPolarHBondContact O-CB 3.46Å; L4-M8 VanDerWaalsContact O-CG 3.31Å; L4-M8 WeakPolarHBondContact O-CG 3.41Å; L4-M8 PolarHBondContact O-N 3.48Å; L4-F32 HydrophobicContact CD1-CB 3.51Å; L4-F32 HydrophobicContact CD1-CD2 3.99Å; L4-F32 HydrophobicContact CD1-CG 3.81Å
5K95.7Very high92.8Very high149 Ų14974 Ų7465%0.64837%0.37SS*.Hα-helixtrans-63.7-36.9178.7-175.3176.9-179.91770111.2M1 C2 A3 A9M1-K5 HydrophobicContact CG-CD 4.5Å; C2-K5 HydrophobicContact CB-CB 4.41Å; C2-K5 WeakPolarHBondContact O-CA 3.03Å; C2-K5 WeakPolarHBondContact O-CB 3.42Å; C2-K5 PolarHBondContact O-N 3.27Å; A3-K5 PolarHBondContact O-N 3.48Å; K5-A9 WeakPolarHBondContact O-CB 3.35Å; K5-A9 PolarHBondContact O-N 3.22Å
6R96.7Very high93Very high42 Ų4281 Ų8116%0.15840%0.397CS..Hα-helixtrans-65.9-48.9175.617365.8-170.8-93-19.1110.7M1 C2 A3 L4 M8 A9 E10 Y62 P63 P110 Q112M1-R6 HydrophobicContact SD-CB 4.26Å; C2-R6 PolarHBondContact O-N 3.35Å; A3-R6 WeakPolarHBondContact O-CB 3.5Å; A3-R6 PolarHBondContact O-N 2.95Å; A3-R6 VanDerWaalsContact O-N 3.1Å; L4-R6 VanDerWaalsContact C-N 3.28Å; L4-R6 PolarHBondContact O-N 2.91Å; R6-M8 PolarHBondContact O-N 3.43Å; R6-A9 WeakPolarHBondContact O-CB 3.3Å; R6-A9 PolarHBondContact O-N 2.85Å; R6-A9 VanDerWaalsContact O-N 3.15Å; R6-E10 IonicContact CZ-OE1 3.79Å; R6-E10 IonicContact NE-OE1 3.8Å; R6-E10 PolarHBondContact NE-OE1 3.27Å; R6-E10 IonicContact NH2-OE1 2.72Å; R6-E10 PolarHBondContact NH2-OE1 2.84Å; R6-E10 PolarHBondContact O-N 3.43Å; R6-Y62 HydrophobicContact CG-CD1 3.98Å; R6-Y62 HydrophobicContact CG-CE1 3.6Å; R6-Y62 PolarHBondContact NH2-OH 3.04Å; R6-P63 HydrophobicContact CG-CB 4.49Å; R6-P63 HydrophobicContact CG-CG 4.29Å; R6-P110 PolarHBondContact NH1-O 3.42Å; R6-Q112 PolarHBondContact NH2-O 3.29Å
7L97.4Very high93Very high0 Ų080.8 Ų80.80%041%0.406CS..Hα-helixtrans-61.7-44179.7-67164.6000112.2A3 L4 A9 E10 Y11 F32 F33 W35 F58 Y62A3-L7 WeakPolarHBondContact O-CG 3.23Å; A3-L7 PolarHBondContact O-N 3.3Å; L4-L7 PolarHBondContact O-N 3.03Å; L7-A9 VanDerWaalsContact C-N 3.28Å; L7-A9 PolarHBondContact O-N 3.08Å; L7-E10 PolarHBondContact O-N 2.84Å; L7-Y11 WeakPolarHBondContact O-CB 3.45Å; L7-Y11 PolarHBondContact O-N 3.41Å; L7-F32 HydrophobicContact CB-CB 4.44Å; L7-F32 WeakPolarHBondContact CD1-O 3.29Å; L7-F33 HydrophobicContact CD1-CD1 3.9Å; L7-F33 HydrophobicContact CD1-CE1 3.92Å; L7-F33 HydrophobicContact CD1-CG 4.22Å; L7-F33 HydrophobicContact CD1-CZ 4.25Å; L7-W35 HydrophobicContact CB-CZ2 4.37Å; L7-W35 HydrophobicContact CD2-CZ2 4.34Å; L7-F58 HydrophobicContact CD1-CB 4.29Å; L7-F58 HydrophobicContact CD1-CG 4.33Å; L7-F58 HydrophobicContact CD2-CB 4.36Å; L7-F58 HydrophobicContact CD2-CD1 3.34Å; L7-F58 HydrophobicContact CD2-CD2 4.05Å; L7-F58 HydrophobicContact CD2-CE1 3.44Å; L7-F58 VanDerWaalsContact CD2-CE1 3.44Å; L7-F58 HydrophobicContact CD2-CE2 4.17Å; L7-F58 HydrophobicContact CD2-CG 3.64Å; L7-F58 HydrophobicContact CD2-CZ 3.85Å; L7-Y62 HydrophobicContact CD2-CD1 3.65Å; L7-Y62 HydrophobicContact CD2-CE1 3.59Å; L7-Y62 HydrophobicContact CD2-CG 4.44Å; L7-Y62 HydrophobicContact CG-CD1 3.91Å; L7-Y62 HydrophobicContact CG-CE1 4.17Å
8M96Very high93Very high73 Ų7380.9 Ų80.936%0.3641%0.413SS..Hα-helixtrans-61-35.6174.7-73175.1171.500113L4 R6 K12 F32L4-M8 HydrophobicContact CD1-CE 3.77Å; L4-M8 HydrophobicContact CD1-CG 4.42Å; L4-M8 HydrophobicContact CD1-SD 4.49Å; L4-M8 HydrophobicContact CD2-CE 4Å; L4-M8 HydrophobicContact CG-CE 3.75Å; L4-M8 HydrophobicContact CG-SD 4.16Å; L4-M8 WeakPolarHBondContact O-CB 3.46Å; L4-M8 VanDerWaalsContact O-CG 3.31Å; L4-M8 WeakPolarHBondContact O-CG 3.41Å; L4-M8 PolarHBondContact O-N 3.48Å; R6-M8 PolarHBondContact O-N 3.43Å; M8-K12 VanDerWaalsContact O-CG 3.3Å; M8-K12 WeakPolarHBondContact O-CG 3.38Å; M8-K12 PolarHBondContact O-N 3.33Å; M8-K12 VanDerWaalsContact O-N 3.15Å; M8-F32 HydrophobicContact CB-CE1 4.48Å; M8-F32 HydrophobicContact CE-CD2 4.19Å; M8-F32 HydrophobicContact CE-CE2 3.96Å; M8-F32 HydrophobicContact CE-CZ 4.27Å; M8-F32 HydrophobicContact CG-CD1 3.93Å; M8-F32 HydrophobicContact CG-CE1 3.72Å; M8-F32 HydrophobicContact CG-CG 4.42Å; M8-F32 HydrophobicContact CG-CZ 4.03Å
9A96.2Very high93Very high56 Ų5677.6 Ų77.646%0.46340%0.398SS..Hα-helixtrans-70.3-43.3177.600000111.6K5 R6 L7 K12 Q13K5-A9 WeakPolarHBondContact O-CB 3.35Å; K5-A9 PolarHBondContact O-N 3.22Å; R6-A9 WeakPolarHBondContact O-CB 3.3Å; R6-A9 PolarHBondContact O-N 2.85Å; R6-A9 VanDerWaalsContact O-N 3.15Å; L7-A9 VanDerWaalsContact C-N 3.28Å; L7-A9 PolarHBondContact O-N 3.08Å; A9-K12 PolarHBondContact O-N 3.32Å; A9-Q13 PolarHBondContact O-N 3.24Å
10E97.1Very high93.1Very high12 Ų1283.3 Ų83.36%0.05642%0.422CS..Hα-helixtrans-65.1-41175.7-70.5-170.7-129.100112.4R6 L7 K12 Q13 L14 W35 Y62 S113 V114R6-E10 IonicContact CZ-OE1 3.79Å; R6-E10 IonicContact NE-OE1 3.8Å; R6-E10 PolarHBondContact NE-OE1 3.27Å; R6-E10 IonicContact NH2-OE1 2.72Å; R6-E10 PolarHBondContact NH2-OE1 2.84Å; R6-E10 PolarHBondContact O-N 3.43Å; L7-E10 PolarHBondContact O-N 2.84Å; E10-K12 VanDerWaalsContact C-N 3.33Å; E10-K12 PolarHBondContact O-N 3.43Å; E10-Q13 WeakPolarHBondContact O-CB 3.44Å; E10-Q13 PolarHBondContact O-N 3.45Å; E10-Q13 VanDerWaalsContact O-N 3.11Å; E10-L14 PolarHBondContact O-N 2.95Å; E10-W35 HydrophobicContact CB-CH2 4.35Å; E10-Y62 WeakPolarHBondContact OE1-CE1 3.38Å; E10-Y62 PolarHBondContact OE1-OH 3.43Å; E10-Y62 PolarHBondContact OE2-OH 2.93Å; E10-S113 VanDerWaalsContact OE2-CA 3.25Å; E10-S113 WeakPolarHBondContact OE2-CA 3.27Å; E10-S113 VanDerWaalsContact OE2-CB 3.26Å; E10-S113 WeakPolarHBondContact OE2-CB 3.44Å; E10-V114 WeakPolarHBondContact OE2-CG2 3.48Å; E10-V114 PolarHBondContact OE2-N 2.95Å
11Y96.9Very high93.2Very high70 Ų7080.6 Ų80.628%0.27542%0.416SS..Hα-helixtrans-59.7-45.1175.5177.7-127.3000111.4L7 Q13 L14 M15 P26 F32L7-Y11 WeakPolarHBondContact O-CB 3.45Å; L7-Y11 PolarHBondContact O-N 3.41Å; Y11-Q13 VanDerWaalsContact C-N 3.28Å; Y11-Q13 PolarHBondContact O-N 2.98Å; Y11-L14 PolarHBondContact O-N 3.11Å; Y11-M15 HydrophobicContact CD1-CE 3.66Å; Y11-M15 HydrophobicContact CD1-SD 4.26Å; Y11-M15 HydrophobicContact CD2-CG 4.15Å; Y11-M15 HydrophobicContact CE1-CE 3.45Å; Y11-M15 VanDerWaalsContact CE1-CE 3.45Å; Y11-M15 HydrophobicContact CE1-CG 4.37Å; Y11-M15 HydrophobicContact CE1-SD 3.56Å; Y11-M15 VanDerWaalsContact CE1-SD 3.56Å; Y11-M15 HydrophobicContact CE2-CE 4.44Å; Y11-M15 HydrophobicContact CE2-CG 3.7Å; Y11-M15 HydrophobicContact CE2-SD 3.88Å; Y11-M15 HydrophobicContact CG-CE 4.27Å; Y11-M15 WeakPolarHBondContact O-CG 3.49Å; Y11-M15 PolarHBondContact O-N 3.33Å; Y11-M15 PolarHBondContact OH-SD 3.04Å; Y11-M15 VanDerWaalsContact OH-SD 3.38Å; Y11-P26 HydrophobicContact CG-CG 4.45Å; Y11-F32 HydrophobicContact CD1-CE1 4.01Å; Y11-F32 HydrophobicContact CG-CE1 4.48Å
12K96.4Very high95Very high142 Ų14272.3 Ų72.362%0.61738%0.375SS*.Hα-helixtrans-60.5-37.1174.6-74.9176.1-176.6-176.90112.8M8 A9 E10 M15 K16M8-K12 VanDerWaalsContact O-CG 3.3Å; M8-K12 WeakPolarHBondContact O-CG 3.38Å; M8-K12 PolarHBondContact O-N 3.33Å; M8-K12 VanDerWaalsContact O-N 3.15Å; A9-K12 PolarHBondContact O-N 3.32Å; E10-K12 VanDerWaalsContact C-N 3.33Å; E10-K12 PolarHBondContact O-N 3.43Å; K12-M15 HydrophobicContact CG-CE 4.14Å; K12-K16 VanDerWaalsContact O-CB 3.31Å; K12-K16 WeakPolarHBondContact O-CB 3.36Å; K12-K16 PolarHBondContact O-N 2.9Å; K12-K16 VanDerWaalsContact O-N 3.08Å
13Q96.1Very high95.5Very high109 Ų10972.7 Ų72.751%0.50938%0.375SS..Hα-helixtrans-67.5-45.9177.2179.5168.4-28.200111.4A9 E10 Y11 M15 K16 S17 E115A9-Q13 PolarHBondContact O-N 3.24Å; E10-Q13 WeakPolarHBondContact O-CB 3.44Å; E10-Q13 PolarHBondContact O-N 3.45Å; E10-Q13 VanDerWaalsContact O-N 3.11Å; Y11-Q13 VanDerWaalsContact C-N 3.28Å; Y11-Q13 PolarHBondContact O-N 2.98Å; Q13-M15 PolarHBondContact O-N 3.09Å; Q13-K16 PolarHBondContact O-N 3.32Å; Q13-K16 VanDerWaalsContact O-N 3.16Å; Q13-S17 PolarHBondContact O-N 3.1Å; Q13-E115 PolarHBondContact NE2-OE2 3.12Å; Q13-E115 VanDerWaalsContact NE2-OE2 3.13Å
14L96Very high95.6Very high9 Ų973.1 Ų73.15%0.04738%0.378CS..Hα-helixtrans-62.4-40.6176.4-77.4165.4000112.4E10 Y11 K16 S17 P18 P19 W35 V114 E115E10-L14 PolarHBondContact O-N 2.95Å; Y11-L14 PolarHBondContact O-N 3.11Å; L14-K16 VanDerWaalsContact C-N 3.31Å; L14-K16 PolarHBondContact O-N 3.36Å; L14-S17 CarbonylContact O-C 3.53Å; L14-P18 WeakPolarHBondContact O-CA 3.31Å; L14-P18 WeakPolarHBondContact O-CB 3.32Å; L14-P18 WeakPolarHBondContact O-CD 3.42Å; L14-P19 HydrophobicContact CD2-CG 4.28Å; L14-W35 HydrophobicContact CD1-CH2 4.19Å; L14-W35 HydrophobicContact CD1-CZ3 3.54Å; L14-V114 HydrophobicContact CD1-CB 4.09Å; L14-V114 HydrophobicContact CD1-CG1 3.85Å; L14-E115 HydrophobicContact CD2-CB 3.98Å; L14-E115 HydrophobicContact CD2-CG 4.43Å
15M94.8Very high95.7Very high108 Ų10870.7 Ų70.753%0.53237%0.369SS..Hα-helixtrans-65.1-35.4174.2-72.9-168.4-65.800112.8Y11 K12 Q13Y11-M15 HydrophobicContact CD1-CE 3.66Å; Y11-M15 HydrophobicContact CD1-SD 4.26Å; Y11-M15 HydrophobicContact CD2-CG 4.15Å; Y11-M15 HydrophobicContact CE1-CE 3.45Å; Y11-M15 VanDerWaalsContact CE1-CE 3.45Å; Y11-M15 HydrophobicContact CE1-CG 4.37Å; Y11-M15 HydrophobicContact CE1-SD 3.56Å; Y11-M15 VanDerWaalsContact CE1-SD 3.56Å; Y11-M15 HydrophobicContact CE2-CE 4.44Å; Y11-M15 HydrophobicContact CE2-CG 3.7Å; Y11-M15 HydrophobicContact CE2-SD 3.88Å; Y11-M15 HydrophobicContact CG-CE 4.27Å; Y11-M15 WeakPolarHBondContact O-CG 3.49Å; Y11-M15 PolarHBondContact O-N 3.33Å; Y11-M15 PolarHBondContact OH-SD 3.04Å; Y11-M15 VanDerWaalsContact OH-SD 3.38Å; K12-M15 HydrophobicContact CG-CE 4.14Å; Q13-M15 PolarHBondContact O-N 3.09Å
16K95.8Very high95.8Very high186 Ų18664.7 Ų64.781%0.80935%0.345SS*.Hα-helixtrans-74.3-36.6-178.4-175.6-178.1176.8-173.20112.1K12 Q13 L14K12-K16 VanDerWaalsContact O-CB 3.31Å; K12-K16 WeakPolarHBondContact O-CB 3.36Å; K12-K16 PolarHBondContact O-N 2.9Å; K12-K16 VanDerWaalsContact O-N 3.08Å; Q13-K16 PolarHBondContact O-N 3.32Å; Q13-K16 VanDerWaalsContact O-N 3.16Å; L14-K16 VanDerWaalsContact C-N 3.31Å; L14-K16 PolarHBondContact O-N 3.36Å
17S93.6Very high95.7Very high78 Ų7865.5 Ų65.555%0.54535%0.354SS..SBendtrans-145.174.3-176.4-174.60000109.7Q13 L14Q13-S17 PolarHBondContact O-N 3.1Å; L14-S17 CarbonylContact O-C 3.53Å
18P91.9Very high95.5Very high83 Ų8369 Ų6954%0.53937%0.373SS..PPolyproline II helixtrans-65.9131.7179.326.5-33.1000109.6L14L14-P18 WeakPolarHBondContact O-CA 3.31Å; L14-P18 WeakPolarHBondContact O-CB 3.32Å; L14-P18 WeakPolarHBondContact O-CD 3.42Å
19P94.1Very high95.2Very high18 Ų1873.9 Ų73.912%0.11740%0.395CS..PPolyproline II helixtrans-61.1150.5171.2-20.231.7000111.1L14 G21 I22 E115 L119L14-P19 HydrophobicContact CD2-CG 4.28Å; P19-G21 PolarHBondContact O-N 3.22Å; P19-I22 HydrophobicContact CB-CB 4.14Å; P19-I22 HydrophobicContact CB-CD1 3.77Å; P19-I22 HydrophobicContact CB-CG1 4.31Å; P19-I22 HydrophobicContact CG-CB 4.45Å; P19-I22 HydrophobicContact CG-CD1 4.2Å; P19-I22 PolarHBondContact O-N 3.26Å; P19-I22 VanDerWaalsContact O-N 3.14Å; P19-E115 HydrophobicContact CG-CG 3.75Å; P19-L119 HydrophobicContact CB-CD2 4.14Å
20E93.9Very high94.9Very high190 Ų19079 Ų7989%0.88841%0.414SS*.THydrogen-bonded Turntrans-58.7134.3177.2-174.1172.2-171.400111.1I22E20-I22 PolarHBondContact O-N 3.19Å
21G94.8Very high94.8Very high28 Ų2880.9 Ų80.929%0.28943%0.425SS..THydrogen-bonded Turntrans70.76.6-179.900000115.1P19 I39 V40P19-G21 PolarHBondContact O-N 3.22Å; G21-I39 WeakPolarHBondContact O-CA 3.48Å; G21-V40 PolarHBondContact O-N 2.9Å
22I96.7Very high94.7Very high5 Ų578.9 Ų78.93%0.02642%0.418CS..EExtended strand (participates in β ladder)trans-119.4128.2-179.9-63169.7000110.5P19 E20 L118 L119 I122P19-I22 HydrophobicContact CB-CB 4.14Å; P19-I22 HydrophobicContact CB-CD1 3.77Å; P19-I22 HydrophobicContact CB-CG1 4.31Å; P19-I22 HydrophobicContact CG-CB 4.45Å; P19-I22 HydrophobicContact CG-CD1 4.2Å; P19-I22 PolarHBondContact O-N 3.26Å; P19-I22 VanDerWaalsContact O-N 3.14Å; E20-I22 PolarHBondContact O-N 3.19Å; I22-L118 HydrophobicContact CD1-CB 3.66Å; I22-L118 HydrophobicContact CG1-CB 4.34Å; I22-L118 HydrophobicContact CG2-CB 4.06Å; I22-L118 HydrophobicContact CG2-CD1 3.5Å; I22-L118 HydrophobicContact CG2-CG 4.36Å; I22-L119 HydrophobicContact CD1-CD2 4.06Å; I22-L119 HydrophobicContact CD1-CG 4.29Å; I22-I122 HydrophobicContact CD1-CD1 3.43Å; I22-I122 VanDerWaalsContact CD1-CD1 3.43Å; I22-I122 HydrophobicContact CD1-CG1 4.35Å; I22-I122 HydrophobicContact CG1-CD1 3.46Å; I22-I122 VanDerWaalsContact CG1-CD1 3.46Å; I22-I122 HydrophobicContact CG1-CG1 4.47Å
23V95.8Very high94.8Very high97 Ų9773.9 Ų73.959%0.58840%0.396SS*.EExtended strand (participates in β ladder)trans-125.3128.8163.6-177.50000107.9C37 Y38V23-C37 CarbonylContact O-C 3.58Å; V23-C37 WeakPolarHBondContact O-CA 3.47Å; V23-Y38 HydrophobicContact CB-CD2 4.34Å; V23-Y38 HydrophobicContact CG1-CD2 4.45Å; V23-Y38 PolarHBondContact N-O 3.37Å; V23-Y38 PolarHBondContact O-N 2.93Å
24A97.4Very high94.9Very high16 Ų1671.1 Ų71.113%0.13238%0.383CS..EExtended strand (participates in β ladder)trans-149143.6176.900000111.9W35 D36 C37 L118A24-W35 HydrophobicContact CB-CE3 4.29Å; A24-D36 VanDerWaalsContact CA-O 3.28Å; A24-D36 WeakPolarHBondContact CA-O 3.45Å; A24-C37 HydrophobicContact CB-CB 4.36Å; A24-L118 HydrophobicContact CB-CD1 3.61Å
25G97Very high95Very high14 Ų1470.7 Ų70.714%0.14438%0.381CS..EExtended strand (participates in β ladder)trans-173.7168.9175.800000113.1W35 D36G25-W35 CarbonylContact O-C 3.54Å; G25-W35 WeakPolarHBondContact O-CA 3.35Å; G25-W35 WeakPolarHBondContact O-CB 3.28Å; G25-D36 PolarHBondContact N-O 2.69Å; G25-D36 PolarHBondContact O-N 2.8Å
26P97.5Very high95.2Very high23 Ų2367.3 Ų67.315%0.14937%0.365CS..EExtended strand (participates in β ladder)trans-54141176.1-23.633000112.2Y11 N28 F32 E34Y11-P26 HydrophobicContact CG-CG 4.45Å; P26-N28 WeakPolarHBondContact CB-O 3.47Å; P26-N28 PolarHBondContact O-N 3.43Å; P26-F32 HydrophobicContact CB-CD1 4.46Å; P26-F32 HydrophobicContact CG-CD1 3.54Å; P26-F32 HydrophobicContact CG-CE1 3.57Å; P26-F32 HydrophobicContact CG-CG 4.1Å; P26-F32 HydrophobicContact CG-CZ 4.15Å; P26-E34 WeakPolarHBondContact CA-O 3.41Å
27V95.3Very high95.2Very high58 Ų5858.5 Ų58.535%0.35233%0.327SS..SBendtrans-60.7-33.1176.9175.50000111.3E34V27-E34 HydrophobicContact CG2-CB 4.31Å; V27-E34 HydrophobicContact CG2-CG 3.83Å; V27-E34 WeakPolarHBondContact CG2-O 3.29Å; V27-E34 PolarHBondContact N-O 2.93Å
28N92.4Very high95.4Very high74 Ų7459.3 Ų59.340%0.39632%0.318SS..SBendtrans-152.1170.917260.962.9000110.7P26 D30 N31P26-N28 WeakPolarHBondContact CB-O 3.47Å; P26-N28 PolarHBondContact O-N 3.43Å; N28-D30 VanDerWaalsContact C-N 3.26Å; N28-D30 PolarHBondContact O-N 3.22Å; N28-D30 PolarHBondContact OD1-N 2.92Å; N28-N31 PolarHBondContact OD1-N 3.17Å
29E88.7Confident95.7Very high176 Ų17655.3 Ų55.382%0.82229%0.293SS*.SBendtrans-70.5-19-176-60.4-173.9165.200113.9F32E29-F32 WeakPolarHBondContact O-CE2 3.47Å
30D90.9Very high95.8Very high162 Ų16257.6 Ų57.687%0.86631%0.306SS*.SBendtrans-89.3-27.2-177.1-63.8-42000112.8N28N28-D30 VanDerWaalsContact C-N 3.26Å; N28-D30 PolarHBondContact O-N 3.22Å; N28-D30 PolarHBondContact OD1-N 2.92Å
31N94.6Very high95.9Very high52 Ų5248.7 Ų48.728%0.27827%0.265SS..  trans-12093.4-177.3-175.616.1000112.7N28 F33 E34N28-N31 PolarHBondContact OD1-N 3.17Å; N31-F33 VanDerWaalsContact C-N 3.26Å; N31-F33 PolarHBondContact O-N 3.27Å; N31-F33 WeakPolarHBondContact OD1-CB 3.27Å; N31-F33 PolarHBondContact OD1-N 3.18Å; N31-E34 WeakPolarHBondContact ND2-CB 3.47Å; N31-E34 PolarHBondContact ND2-OE2 3.49Å
32F95.8Very high96.1Very high29 Ų2948.3 Ų48.313%0.12726%0.258CS..THydrogen-bonded Turntrans-77.7-3.4173.2-85-99.6000114.5L4 L7 M8 Y11 P26 E29 W35L4-F32 HydrophobicContact CD1-CB 3.51Å; L4-F32 HydrophobicContact CD1-CD2 3.99Å; L4-F32 HydrophobicContact CD1-CG 3.81Å; L7-F32 HydrophobicContact CB-CB 4.44Å; L7-F32 WeakPolarHBondContact CD1-O 3.29Å; M8-F32 HydrophobicContact CB-CE1 4.48Å; M8-F32 HydrophobicContact CE-CD2 4.19Å; M8-F32 HydrophobicContact CE-CE2 3.96Å; M8-F32 HydrophobicContact CE-CZ 4.27Å; M8-F32 HydrophobicContact CG-CD1 3.93Å; M8-F32 HydrophobicContact CG-CE1 3.72Å; M8-F32 HydrophobicContact CG-CG 4.42Å; M8-F32 HydrophobicContact CG-CZ 4.03Å; Y11-F32 HydrophobicContact CD1-CE1 4.01Å; Y11-F32 HydrophobicContact CG-CE1 4.48Å; P26-F32 HydrophobicContact CB-CD1 4.46Å; P26-F32 HydrophobicContact CG-CD1 3.54Å; P26-F32 HydrophobicContact CG-CE1 3.57Å; P26-F32 HydrophobicContact CG-CG 4.1Å; P26-F32 HydrophobicContact CG-CZ 4.15Å; E29-F32 WeakPolarHBondContact O-CE2 3.47Å; F32-W35 VanDerWaalsContact O-CD1 3.3Å; F32-W35 PolarHBondContact O-NE1 3.27Å
33F97.6Very high96Very high37 Ų3753 Ų5316%0.16229%0.287CS..THydrogen-bonded Turntrans-93.84.1-178.9-69-95.8000113.4A3 L7 N31 F58A3-F33 HydrophobicContact CB-CE1 3.75Å; A3-F33 HydrophobicContact CB-CZ 3.83Å; L7-F33 HydrophobicContact CD1-CD1 3.9Å; L7-F33 HydrophobicContact CD1-CE1 3.92Å; L7-F33 HydrophobicContact CD1-CG 4.22Å; L7-F33 HydrophobicContact CD1-CZ 4.25Å; N31-F33 VanDerWaalsContact C-N 3.26Å; N31-F33 PolarHBondContact O-N 3.27Å; N31-F33 WeakPolarHBondContact OD1-CB 3.27Å; N31-F33 PolarHBondContact OD1-N 3.18Å; F33-F58 HydrophobicContact CB-CB 4.38Å; F33-F58 HydrophobicContact CD1-CB 3.92Å; F33-F58 WeakPolarHBondContact O-CD2 3.34Å; F33-F58 PolarHBondContact O-N 3.02Å
34E98.4Very high96Very high51 Ų5155.9 Ų55.924%0.23830%0.299CS..EExtended strand (participates in β ladder)trans-137.6120.9175.7-169.7-179.3173.700109.1P26 V27 N31 R55 M56 H57P26-E34 WeakPolarHBondContact CA-O 3.41Å; V27-E34 HydrophobicContact CG2-CB 4.31Å; V27-E34 HydrophobicContact CG2-CG 3.83Å; V27-E34 WeakPolarHBondContact CG2-O 3.29Å; V27-E34 PolarHBondContact N-O 2.93Å; N31-E34 WeakPolarHBondContact ND2-CB 3.47Å; N31-E34 PolarHBondContact ND2-OE2 3.49Å; E34-R55 HydrophobicContact CG-CG 3.98Å; E34-R55 WeakPolarHBondContact OE1-CD 3.3Å; E34-R55 IonicContact OE1-NE 3.72Å; E34-M56 CarbonylContact C-O 3.4Å; E34-M56 WeakPolarHBondContact CA-O 3.49Å; E34-H57 IonicContact OE1-NE2 2.82Å
35W98.5Very high95.9Very high0 Ų056.3 Ų56.30%030%0.3CS..EExtended strand (participates in β ladder)trans-124.2137-175.1-70.528.3000111.2L7 E10 L14 A24 G25 F32 R55 M56 F58 V114L7-W35 HydrophobicContact CB-CZ2 4.37Å; L7-W35 HydrophobicContact CD2-CZ2 4.34Å; E10-W35 HydrophobicContact CB-CH2 4.35Å; L14-W35 HydrophobicContact CD1-CH2 4.19Å; L14-W35 HydrophobicContact CD1-CZ3 3.54Å; A24-W35 HydrophobicContact CB-CE3 4.29Å; G25-W35 CarbonylContact O-C 3.54Å; G25-W35 WeakPolarHBondContact O-CA 3.35Å; G25-W35 WeakPolarHBondContact O-CB 3.28Å; F32-W35 VanDerWaalsContact O-CD1 3.3Å; F32-W35 PolarHBondContact O-NE1 3.27Å; W35-R55 CarbonylContact O-C 3.45Å; W35-R55 WeakPolarHBondContact O-CA 3.45Å; W35-M56 HydrophobicContact CB-CB 4.29Å; W35-M56 PolarHBondContact N-O 3.49Å; W35-M56 PolarHBondContact O-N 3.39Å; W35-F58 HydrophobicContact CB-CE2 4.03Å; W35-F58 AromaticContact CD1-CE2 3.39Å; W35-F58 AromaticContact CD2-CE2 3.8Å; W35-F58 HydrophobicContact CD2-CE2 3.8Å; W35-F58 AromaticContact CD2-CZ 3.94Å; W35-F58 HydrophobicContact CD2-CZ 3.94Å; W35-F58 AromaticContact CE2-CE2 3.89Å; W35-F58 HydrophobicContact CE3-CZ 4.35Å; W35-F58 AromaticContact CG-CE2 3.5Å; W35-F58 HydrophobicContact CG-CE2 3.5Å; W35-F58 VanDerWaalsContact CG-CE2 3.5Å; W35-F58 HydrophobicContact CG-CZ 4.1Å; W35-F58 AromaticContact NE1-CE2 3.61Å; W35-V114 HydrophobicContact CE3-CG1 4.01Å; W35-V114 HydrophobicContact CE3-CG2 4.42Å; W35-V114 HydrophobicContact CH2-CG2 4.18Å; W35-V114 HydrophobicContact CZ3-CB 4.14Å; W35-V114 HydrophobicContact CZ3-CG1 3.76Å; W35-V114 HydrophobicContact CZ3-CG2 3.97Å
36D97.6Very high95.9Very high37 Ų3758.2 Ų58.220%0.19830%0.303CS..EExtended strand (participates in β ladder)trans-84139.8165.2-78-32.3000109.9A24 G25 Y38 R55A24-D36 VanDerWaalsContact CA-O 3.28Å; A24-D36 WeakPolarHBondContact CA-O 3.45Å; G25-D36 PolarHBondContact N-O 2.69Å; G25-D36 PolarHBondContact O-N 2.8Å; D36-Y38 HydrophobicContact CB-CE2 4.37Å; D36-R55 IonicContact OD1-CZ 3.73Å; D36-R55 IonicContact OD1-NE 2.71Å; D36-R55 PolarHBondContact OD1-NE 2.87Å; D36-R55 IonicContact OD1-NH2 3.74Å; D36-R55 PolarHBondContact OD1-NH2 3.31Å; D36-R55 IonicContact OD2-NH2 3.82Å
37C97.6Very high96Very high1 Ų157.2 Ų57.21%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-130.1136-179.7-57.90000109.1V23 A24 C53 A54 L118V23-C37 CarbonylContact O-C 3.58Å; V23-C37 WeakPolarHBondContact O-CA 3.47Å; A24-C37 HydrophobicContact CB-CB 4.36Å; C37-C53 CarbonylContact O-C 3.51Å; C37-C53 WeakPolarHBondContact O-CA 3.43Å; C37-A54 HydrophobicContact CB-CB 4.27Å; C37-A54 PolarHBondContact N-O 3.49Å; C37-A54 PolarHBondContact O-N 2.58Å; C37-L118 HydrophobicContact CB-CD2 4.18Å
38Y96.7Very high96.1Very high94 Ų9457.3 Ų57.337%0.36929%0.293SS..EExtended strand (participates in β ladder)trans-120.4124.6172.5-58.7-93.4000108V23 D36 C53 L164V23-Y38 HydrophobicContact CB-CD2 4.34Å; V23-Y38 HydrophobicContact CG1-CD2 4.45Å; V23-Y38 PolarHBondContact N-O 3.37Å; V23-Y38 PolarHBondContact O-N 2.93Å; D36-Y38 HydrophobicContact CB-CE2 4.37Å; Y38-C53 VanDerWaalsContact CE1-SG 3.56Å; Y38-L164 HydrophobicContact CD1-CD2 4.05Å; Y38-L164 HydrophobicContact CE1-CD2 3.84Å
39I97.5Very high96.2Very high0 Ų058.9 Ų58.90%030%0.301CS..EExtended strand (participates in β ladder)trans-121.8116.7-175.8-59.2169.6000108.1G21 I51 F52 F71 L118 V121 I122 L125G21-I39 WeakPolarHBondContact O-CA 3.48Å; I39-I51 WeakPolarHBondContact O-CA 3.27Å; I39-F52 PolarHBondContact N-O 2.79Å; I39-F52 PolarHBondContact O-N 3.43Å; I39-F71 HydrophobicContact CD1-CE1 4.12Å; I39-F71 HydrophobicContact CD1-CZ 4.06Å; I39-L118 HydrophobicContact CD1-CD2 4.08Å; I39-V121 HydrophobicContact CD1-CB 4.35Å; I39-V121 HydrophobicContact CD1-CG1 3.71Å; I39-I122 HydrophobicContact CG2-CD1 4.32Å; I39-I122 HydrophobicContact CG2-CG1 3.72Å; I39-L125 HydrophobicContact CG2-CD1 4.23Å
40V97.1Very high96.6Very high65 Ų6550.5 Ų50.539%0.39426%0.262SS..EExtended strand (participates in β ladder)trans-72.7132.8171-179.80000108.6G21G21-V40 PolarHBondContact O-N 2.9Å
41G97.1Very high96.9Very high3 Ų345.3 Ų45.33%0.03123%0.234CC..PPolyproline II helixtrans-59.2128.1175.800000111Y47 G50G41-Y47 WeakPolarHBondContact CA-O 3.44Å; G41-G50 PolarHBondContact N-O 3.48Å
42P97Very high97.1Very high20 Ų2042.8 Ų42.813%0.1322%0.22CC..PPolyproline II helixtrans-61.8146.6-175.4-14.824.6000112T45 E48 I122 L125P42-T45 HydrophobicContact CB-CG2 3.81Å; P42-T45 HydrophobicContact CG-CG2 4.33Å; P42-T45 PolarHBondContact O-OG1 2.8Å; P42-E48 WeakPolarHBondContact O-CA 3.48Å; P42-E48 WeakPolarHBondContact O-CB 3.23Å; P42-I122 HydrophobicContact CB-CG2 4.31Å; P42-I122 HydrophobicContact CG-CG2 3.82Å; P42-I122 WeakPolarHBondContact CG-O 3.4Å; P42-L125 HydrophobicContact CG-CB 4.16Å
43T95.9Very high97.1Very high104 Ų10442.4 Ų42.464%0.63822%0.221SC*.THydrogen-bonded Turntrans-63.3152.3174.755.40000111.6T45T43-T45 PolarHBondContact O-N 3.38Å
44D95.3Very high97.2Very high158 Ų15840.7 Ų40.785%0.84521%0.214SC*.THydrogen-bonded Turntrans61.823-178.8-55.7-55.5000113.5E48D44-E48 PolarHBondContact N-OE2 3.39Å
45T96.6Very high97.2Very high24 Ų2441.8 Ų41.815%0.14722%0.216CC..SBendtrans-121.3165.3174.478.30000111.5P42 T43 Y47 E48 A126P42-T45 HydrophobicContact CB-CG2 3.81Å; P42-T45 HydrophobicContact CG-CG2 4.33Å; P42-T45 PolarHBondContact O-OG1 2.8Å; T43-T45 PolarHBondContact O-N 3.38Å; T45-Y47 PolarHBondContact O-N 3.24Å; T45-Y47 PolarHBondContact OG1-N 2.94Å; T45-E48 VanDerWaalsContact O-CB 3.27Å; T45-E48 WeakPolarHBondContact O-CB 3.26Å; T45-E48 PolarHBondContact O-N 3.41Å; T45-E48 PolarHBondContact OG1-N 2.85Å; T45-A126 HydrophobicContact CG2-CB 3.66Å
46Y97Very high97.2Very high54 Ų5441.8 Ų41.821%0.21222%0.216CC..THydrogen-bonded Turntrans-64.2-23.3173-61.3-44.7000113.3E48 R146 Y149 E150 K154Y46-E48 VanDerWaalsContact C-N 3.31Å; Y46-R146 PolarHBondContact OH-NE 2.62Å; Y46-R146 PolarHBondContact OH-NH2 3.47Å; Y46-Y149 AromaticContact CD2-CD1 3.62Å; Y46-Y149 HydrophobicContact CD2-CD1 3.62Å; Y46-Y149 AromaticContact CD2-CE1 3.67Å; Y46-Y149 HydrophobicContact CD2-CE1 3.67Å; Y46-Y149 AromaticContact CE2-CD1 3.72Å; Y46-Y149 HydrophobicContact CE2-CD1 3.72Å; Y46-Y149 HydrophobicContact CE2-CE1 4.14Å; Y46-E150 HydrophobicContact CD1-CB 4.01Å; Y46-E150 HydrophobicContact CD1-CG 3.63Å; Y46-E150 HydrophobicContact CD2-CB 4.5Å; Y46-E150 HydrophobicContact CE1-CB 3.87Å; Y46-E150 HydrophobicContact CE1-CG 3.76Å; Y46-E150 HydrophobicContact CE2-CB 4.3Å; Y46-E150 HydrophobicContact CG-CB 4.34Å; Y46-E150 HydrophobicContact CG-CG 4.25Å; Y46-K154 WeakPolarHBondContact O-CE 3.4Å; Y46-K154 PolarHBondContact O-NZ 3.46Å
47Y97.9Very high97.2Very high2 Ų243.9 Ų43.91%0.00822%0.224CC..THydrogen-bonded Turntrans-80.9-9.8178.7-62.5-82.6000113.5G41 T45 N49 G50 F52 M75 F76 H77 L125 Y149 V153G41-Y47 WeakPolarHBondContact CA-O 3.44Å; T45-Y47 PolarHBondContact O-N 3.24Å; T45-Y47 PolarHBondContact OG1-N 2.94Å; Y47-N49 PolarHBondContact O-N 2.98Å; Y47-G50 WeakPolarHBondContact O-CA 3.37Å; Y47-G50 PolarHBondContact O-N 3.25Å; Y47-F52 HydrophobicContact CD1-CE1 4.41Å; Y47-F52 HydrophobicContact CD1-CE2 4.08Å; Y47-F52 AromaticContact CD1-CZ 3.71Å; Y47-F52 HydrophobicContact CD1-CZ 3.71Å; Y47-F52 HydrophobicContact CG-CE2 4.45Å; Y47-F52 HydrophobicContact CG-CZ 4.39Å; Y47-M75 HydrophobicContact CD1-CE 4.39Å; Y47-M75 HydrophobicContact CE1-CE 4.12Å; Y47-F76 PolarHBondContact OH-O 3.01Å; Y47-H77 AromaticContact CE2-CD2 3.74Å; Y47-H77 AromaticContact CZ-CD2 3.62Å; Y47-H77 WeakPolarHBondContact OH-CB 3.21Å; Y47-H77 PolarHBondContact OH-CD2 2.95Å; Y47-L125 HydrophobicContact CD1-CD2 4.26Å; Y47-L125 HydrophobicContact CD2-CB 4.21Å; Y47-L125 HydrophobicContact CD2-CD2 4.34Å; Y47-L125 VanDerWaalsContact CD2-O 3.31Å; Y47-L125 WeakPolarHBondContact CD2-O 3.24Å; Y47-L125 HydrophobicContact CE1-CD2 4.21Å; Y47-L125 HydrophobicContact CE2-CD2 4.29Å; Y47-L125 WeakPolarHBondContact CE2-O 3.36Å; Y47-L125 HydrophobicContact CG-CD2 4.36Å; Y47-Y149 PolarHBondContact OH-OH 3.38Å; Y47-V153 HydrophobicContact CD1-CG1 3.56Å; Y47-V153 HydrophobicContact CD2-CG1 4.23Å; Y47-V153 HydrophobicContact CE1-CB 4.44Å; Y47-V153 HydrophobicContact CE1-CG1 3.47Å; Y47-V153 VanDerWaalsContact CE1-CG1 3.47Å; Y47-V153 HydrophobicContact CE1-CG2 4.16Å; Y47-V153 HydrophobicContact CE2-CG1 4.14Å; Y47-V153 HydrophobicContact CG-CG1 3.92Å
48E97.4Very high97.2Very high61 Ų6144.4 Ų44.429%0.28523%0.226SC..THydrogen-bonded Turntrans-49.5140.1-178.9-170.6-174.3138.100112.2P42 D44 T45 Y46 G50P42-E48 WeakPolarHBondContact O-CA 3.48Å; P42-E48 WeakPolarHBondContact O-CB 3.23Å; D44-E48 PolarHBondContact N-OE2 3.39Å; T45-E48 VanDerWaalsContact O-CB 3.27Å; T45-E48 WeakPolarHBondContact O-CB 3.26Å; T45-E48 PolarHBondContact O-N 3.41Å; T45-E48 PolarHBondContact OG1-N 2.85Å; Y46-E48 VanDerWaalsContact C-N 3.31Å; E48-G50 PolarHBondContact O-N 3.36Å
49N95.8Very high97.2Very high107 Ų10741.7 Ų41.757%0.57222%0.22SC*.THydrogen-bonded Turntrans68.9-0.1-174-51.7-70.4000114.7Y47 L161Y47-N49 PolarHBondContact O-N 2.98Å; N49-L161 WeakPolarHBondContact O-CD2 3.31Å
50G97.2Very high97.2Very high0 Ų048.7 Ų48.70%025%0.253CS..  trans-75.5154.8166.900000111.5G41 Y47 E48G41-G50 PolarHBondContact N-O 3.48Å; Y47-G50 WeakPolarHBondContact O-CA 3.37Å; Y47-G50 PolarHBondContact O-N 3.25Å; E48-G50 PolarHBondContact O-N 3.36Å
51I96.9Very high97.1Very high52 Ų5248.9 Ų48.927%0.26725%0.252SS..EExtended strand (participates in β ladder)trans-133.5117.6167.2-52.6169.7000106.8I39 S160 L161 L164I39-I51 WeakPolarHBondContact O-CA 3.27Å; I51-S160 PolarHBondContact N-OG 2.78Å; I51-S160 WeakPolarHBondContact O-CB 3.48Å; I51-S160 PolarHBondContact O-OG 2.95Å; I51-L161 HydrophobicContact CD1-CD2 4.32Å; I51-L161 HydrophobicContact CG1-CD2 4.36Å; I51-L164 HydrophobicContact CB-CD1 3.38Å; I51-L164 HydrophobicContact CD1-CD1 3.55Å; I51-L164 HydrophobicContact CG1-CD1 4.03Å; I51-L164 HydrophobicContact CG2-CD1 3.44Å; I51-L164 VanDerWaalsContact CG2-CD1 3.44Å
52F97.7Very high97.2Very high0 Ų048.9 Ų48.90%025%0.251CS..EExtended strand (participates in β ladder)trans-113.3128.5-168.4-53.5-74.7000110.1I39 Y47 F71 M75 T156 V157I39-F52 PolarHBondContact N-O 2.79Å; I39-F52 PolarHBondContact O-N 3.43Å; Y47-F52 HydrophobicContact CD1-CE1 4.41Å; Y47-F52 HydrophobicContact CD1-CE2 4.08Å; Y47-F52 AromaticContact CD1-CZ 3.71Å; Y47-F52 HydrophobicContact CD1-CZ 3.71Å; Y47-F52 HydrophobicContact CG-CE2 4.45Å; Y47-F52 HydrophobicContact CG-CZ 4.39Å; F52-F71 HydrophobicContact CB-CD1 3.88Å; F52-F71 HydrophobicContact CB-CE1 3.58Å; F52-M75 HydrophobicContact CB-SD 4.07Å; F52-M75 HydrophobicContact CD1-CE 4.1Å; F52-M75 HydrophobicContact CD1-SD 3.21Å; F52-M75 WeakPolarHBondContact CD1-SD 3.46Å; F52-M75 HydrophobicContact CE1-CE 4.41Å; F52-M75 HydrophobicContact CE1-SD 3.75Å; F52-M75 HydrophobicContact CG-CE 4.19Å; F52-M75 HydrophobicContact CG-SD 3.72Å; F52-T156 HydrophobicContact CE1-CG2 4.07Å; F52-V157 HydrophobicContact CZ-CG2 4.02Å
53C97.3Very high97.1Very high21 Ų2148.8 Ų48.814%0.14225%0.25CS..EExtended strand (participates in β ladder)trans-92.1133.5-179-60.70000108.8C37 Y38 F71 T72 S73C37-C53 CarbonylContact O-C 3.51Å; C37-C53 WeakPolarHBondContact O-CA 3.43Å; Y38-C53 VanDerWaalsContact CE1-SG 3.56Å; C53-F71 CarbonylContact O-C 3.49Å; C53-F71 WeakPolarHBondContact O-CA 3.34Å; C53-F71 WeakPolarHBondContact O-CD1 3.48Å; C53-T72 VanDerWaalsContact CB-OG1 3.27Å; C53-T72 WeakPolarHBondContact CB-OG1 3.35Å; C53-T72 PolarHBondContact O-N 3.32Å; C53-T72 PolarHBondContact O-OG1 3.41Å; C53-S73 PolarHBondContact N-OG 3.33Å; C53-S73 VanDerWaalsContact N-OG 3.12Å; C53-S73 PolarHBondContact O-N 3.17Å; C53-S73 PolarHBondContact O-OG 3.43Å
54A98.2Very high97.1Very high1 Ų149 Ų491%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-138.5159.217600000110.9C37 L69 T70 F71C37-A54 HydrophobicContact CB-CB 4.27Å; C37-A54 PolarHBondContact N-O 3.49Å; C37-A54 PolarHBondContact O-N 2.58Å; A54-L69 HydrophobicContact CB-CD1 3.8Å; A54-L69 HydrophobicContact CB-CG 4.39Å; A54-T70 CarbonylContact C-O 3.28Å; A54-T70 VanDerWaalsContact CA-O 3.29Å; A54-T70 WeakPolarHBondContact CA-O 3.41Å; A54-F71 HydrophobicContact CB-CD1 3.85Å; A54-F71 HydrophobicContact CB-CE1 4.14Å; A54-F71 HydrophobicContact CB-CG 4.18Å
55R98.3Very high97.2Very high73 Ų7344.2 Ų44.228%0.27522%0.222SC..EExtended strand (participates in β ladder)trans-122.6130.5176.3-166.3152-60.4137.33.1111.3E34 W35 D36 T70 T72E34-R55 HydrophobicContact CG-CG 3.98Å; E34-R55 WeakPolarHBondContact OE1-CD 3.3Å; E34-R55 IonicContact OE1-NE 3.72Å; W35-R55 CarbonylContact O-C 3.45Å; W35-R55 WeakPolarHBondContact O-CA 3.45Å; D36-R55 IonicContact OD1-CZ 3.73Å; D36-R55 IonicContact OD1-NE 2.71Å; D36-R55 PolarHBondContact OD1-NE 2.87Å; D36-R55 IonicContact OD1-NH2 3.74Å; D36-R55 PolarHBondContact OD1-NH2 3.31Å; D36-R55 IonicContact OD2-NH2 3.82Å; R55-T70 PolarHBondContact N-O 3.07Å; R55-T70 PolarHBondContact O-N 3.03Å; R55-T72 HydrophobicContact CB-CG2 3.97Å
56M98.5Very high97.2Very high0 Ų044 Ų440%022%0.22CC..EExtended strand (participates in β ladder)trans-106.2125.4177.7-167.2173.2-64.100110.2E34 W35 F58 P67 K68 L69 V114 I117 L118E34-M56 CarbonylContact C-O 3.4Å; E34-M56 WeakPolarHBondContact CA-O 3.49Å; W35-M56 HydrophobicContact CB-CB 4.29Å; W35-M56 PolarHBondContact N-O 3.49Å; W35-M56 PolarHBondContact O-N 3.39Å; M56-F58 HydrophobicContact CB-CE2 4.13Å; M56-F58 HydrophobicContact CB-CZ 4.34Å; M56-F58 HydrophobicContact CG-CD2 4.47Å; M56-F58 HydrophobicContact CG-CE1 4.2Å; M56-F58 HydrophobicContact CG-CE2 3.82Å; M56-F58 HydrophobicContact CG-CZ 3.7Å; M56-F58 HydrophobicContact SD-CE1 3.66Å; M56-F58 HydrophobicContact SD-CE2 4.04Å; M56-F58 HydrophobicContact SD-CZ 3.29Å; M56-F58 WeakPolarHBondContact SD-CZ 3.46Å; M56-P67 HydrophobicContact CG-CB 3.5Å; M56-P67 VanDerWaalsContact CG-CB 3.5Å; M56-P67 HydrophobicContact CG-CG 3.85Å; M56-P67 HydrophobicContact SD-CB 3.89Å; M56-P67 HydrophobicContact SD-CG 3.58Å; M56-P67 VanDerWaalsContact SD-CG 3.58Å; M56-K68 CarbonylContact C-O 3.15Å; M56-K68 VanDerWaalsContact CA-O 3.29Å; M56-K68 WeakPolarHBondContact CA-O 3.47Å; M56-L69 HydrophobicContact CB-CD1 4.09Å; M56-L69 HydrophobicContact CE-CD1 3.94Å; M56-V114 HydrophobicContact CE-CG1 4.06Å; M56-V114 HydrophobicContact SD-CB 4.49Å; M56-V114 HydrophobicContact SD-CG1 4.05Å; M56-V114 HydrophobicContact SD-CG2 3.96Å; M56-I117 HydrophobicContact CE-CB 4.37Å; M56-I117 HydrophobicContact CE-CD1 4.46Å; M56-I117 HydrophobicContact CE-CG2 3.82Å; M56-I117 HydrophobicContact SD-CD1 4.44Å; M56-L118 HydrophobicContact CE-CD2 4.02Å; M56-L118 HydrophobicContact CE-CG 4.3Å
57H98.4Very high97.3Very high81 Ų8141.5 Ų41.538%0.37521%0.211SC..EExtended strand (participates in β ladder)trans-112.7119.2177.6-6485.5000109.9E34 P67 K68E34-H57 IonicContact OE1-NE2 2.82Å; H57-P67 CarbonylContact O-C 3.59Å; H57-P67 WeakPolarHBondContact O-CA 3.41Å; H57-P67 VanDerWaalsContact O-CB 3.3Å; H57-P67 WeakPolarHBondContact O-CB 3.32Å; H57-K68 PolarHBondContact N-O 3.28Å; H57-K68 PolarHBondContact O-N 3.04Å
58F98.3Very high97.3Very high12 Ų1248 Ų485%0.05324%0.239CC..  trans-93.4136.6-177.4-60.5-93000110.8L7 F33 W35 M56 Y62 P67 V114L7-F58 HydrophobicContact CD1-CB 4.29Å; L7-F58 HydrophobicContact CD1-CG 4.33Å; L7-F58 HydrophobicContact CD2-CB 4.36Å; L7-F58 HydrophobicContact CD2-CD1 3.34Å; L7-F58 HydrophobicContact CD2-CD2 4.05Å; L7-F58 HydrophobicContact CD2-CE1 3.44Å; L7-F58 VanDerWaalsContact CD2-CE1 3.44Å; L7-F58 HydrophobicContact CD2-CE2 4.17Å; L7-F58 HydrophobicContact CD2-CG 3.64Å; L7-F58 HydrophobicContact CD2-CZ 3.85Å; F33-F58 HydrophobicContact CB-CB 4.38Å; F33-F58 HydrophobicContact CD1-CB 3.92Å; F33-F58 WeakPolarHBondContact O-CD2 3.34Å; F33-F58 PolarHBondContact O-N 3.02Å; W35-F58 HydrophobicContact CB-CE2 4.03Å; W35-F58 AromaticContact CD1-CE2 3.39Å; W35-F58 AromaticContact CD2-CE2 3.8Å; W35-F58 HydrophobicContact CD2-CE2 3.8Å; W35-F58 AromaticContact CD2-CZ 3.94Å; W35-F58 HydrophobicContact CD2-CZ 3.94Å; W35-F58 AromaticContact CE2-CE2 3.89Å; W35-F58 HydrophobicContact CE3-CZ 4.35Å; W35-F58 AromaticContact CG-CE2 3.5Å; W35-F58 HydrophobicContact CG-CE2 3.5Å; W35-F58 VanDerWaalsContact CG-CE2 3.5Å; W35-F58 HydrophobicContact CG-CZ 4.1Å; W35-F58 AromaticContact NE1-CE2 3.61Å; M56-F58 HydrophobicContact CB-CE2 4.13Å; M56-F58 HydrophobicContact CB-CZ 4.34Å; M56-F58 HydrophobicContact CG-CD2 4.47Å; M56-F58 HydrophobicContact CG-CE1 4.2Å; M56-F58 HydrophobicContact CG-CE2 3.82Å; M56-F58 HydrophobicContact CG-CZ 3.7Å; M56-F58 HydrophobicContact SD-CE1 3.66Å; M56-F58 HydrophobicContact SD-CE2 4.04Å; M56-F58 HydrophobicContact SD-CZ 3.29Å; M56-F58 WeakPolarHBondContact SD-CZ 3.46Å; F58-Y62 HydrophobicContact CD1-CD1 4.28Å; F58-Y62 AromaticContact CD1-CD2 3.82Å; F58-Y62 HydrophobicContact CD1-CD2 3.82Å; F58-Y62 HydrophobicContact CD1-CE1 4.31Å; F58-Y62 AromaticContact CD1-CE2 3.9Å; F58-Y62 HydrophobicContact CD1-CE2 3.9Å; F58-Y62 HydrophobicContact CD1-CG 4.04Å; F58-Y62 HydrophobicContact CE1-CE1 4.5Å; F58-Y62 HydrophobicContact CE1-CE2 4.18Å; F58-P67 HydrophobicContact CD1-CB 3.68Å; F58-P67 HydrophobicContact CD1-CG 4.18Å; F58-P67 HydrophobicContact CE1-CB 3.94Å; F58-P67 HydrophobicContact CE1-CG 4.07Å; F58-P67 HydrophobicContact CG-CB 4.15Å; F58-V114 HydrophobicContact CE1-CG2 3.54Å; F58-V114 HydrophobicContact CZ-CG2 3.51Å
59P97.2Very high97.4Very high37 Ų3745.2 Ų45.224%0.2423%0.226CC..  trans-73.2158.7172.234-37.4000110.8D61 Y62 N65 P66P59-D61 VanDerWaalsContact CB-OD1 3.31Å; P59-D61 WeakPolarHBondContact CB-OD1 3.48Å; P59-D61 WeakPolarHBondContact CG-OD1 3.48Å; P59-D61 PolarHBondContact O-N 3.26Å; P59-Y62 VanDerWaalsContact O-CB 3.28Å; P59-Y62 WeakPolarHBondContact O-CB 3.28Å; P59-Y62 PolarHBondContact O-N 3.32Å; P59-Y62 VanDerWaalsContact O-N 3.08Å; P59-N65 HydrophobicContact CG-CB 3.9Å; P59-N65 WeakPolarHBondContact CG-O 3.33Å; P59-P66 WeakPolarHBondContact CD-O 3.36Å; P59-P66 WeakPolarHBondContact CG-O 3.27Å
60Q95.9Very high97.5Very high148 Ų14842 Ų4269%0.69221%0.21SC*.THydrogen-bonded Turntrans-64.4-23.3-178.6-68.4-61.3-36.900113.5A3A3-Q60 WeakPolarHBondContact CB-O 3.37Å
61D96.1Very high97.5Very high69 Ų6942.2 Ų42.237%0.36921%0.211SC..THydrogen-bonded Turntrans-97.311.8178.165.6-11000113.2P59 L64 N65P59-D61 VanDerWaalsContact CB-OD1 3.31Å; P59-D61 WeakPolarHBondContact CB-OD1 3.48Å; P59-D61 WeakPolarHBondContact CG-OD1 3.48Å; P59-D61 PolarHBondContact O-N 3.26Å; D61-L64 HydrophobicContact CB-CB 4.49Å; D61-L64 HydrophobicContact CB-CD1 4.44Å; D61-L64 WeakPolarHBondContact O-CB 3.36Å; D61-L64 WeakPolarHBondContact O-CG 3.3Å; D61-L64 PolarHBondContact O-N 3.14Å; D61-N65 PolarHBondContact OD2-ND2 2.85Å
62Y97.7Very high97.6Very high2 Ų243.2 Ų43.21%0.00822%0.22CC..THydrogen-bonded Turntrans-51.6134.1172.5-175.9-97.9000111A3 R6 L7 E10 F58 P59 N65 W108A3-Y62 VanDerWaalsContact CA-O 3.3Å; A3-Y62 WeakPolarHBondContact CA-O 3.47Å; A3-Y62 WeakPolarHBondContact CB-O 3.39Å; R6-Y62 HydrophobicContact CG-CD1 3.98Å; R6-Y62 HydrophobicContact CG-CE1 3.6Å; R6-Y62 PolarHBondContact NH2-OH 3.04Å; L7-Y62 HydrophobicContact CD2-CD1 3.65Å; L7-Y62 HydrophobicContact CD2-CE1 3.59Å; L7-Y62 HydrophobicContact CD2-CG 4.44Å; L7-Y62 HydrophobicContact CG-CD1 3.91Å; L7-Y62 HydrophobicContact CG-CE1 4.17Å; E10-Y62 WeakPolarHBondContact OE1-CE1 3.38Å; E10-Y62 PolarHBondContact OE1-OH 3.43Å; E10-Y62 PolarHBondContact OE2-OH 2.93Å; F58-Y62 HydrophobicContact CD1-CD1 4.28Å; F58-Y62 AromaticContact CD1-CD2 3.82Å; F58-Y62 HydrophobicContact CD1-CD2 3.82Å; F58-Y62 HydrophobicContact CD1-CE1 4.31Å; F58-Y62 AromaticContact CD1-CE2 3.9Å; F58-Y62 HydrophobicContact CD1-CE2 3.9Å; F58-Y62 HydrophobicContact CD1-CG 4.04Å; F58-Y62 HydrophobicContact CE1-CE1 4.5Å; F58-Y62 HydrophobicContact CE1-CE2 4.18Å; P59-Y62 VanDerWaalsContact O-CB 3.28Å; P59-Y62 WeakPolarHBondContact O-CB 3.28Å; P59-Y62 PolarHBondContact O-N 3.32Å; P59-Y62 VanDerWaalsContact O-N 3.08Å; Y62-N65 WeakPolarHBondContact CD2-O 3.36Å; Y62-W108 HydrophobicContact CD2-CZ2 4.11Å; Y62-W108 AromaticContact CE2-CH2 3.53Å; Y62-W108 HydrophobicContact CE2-CH2 3.53Å; Y62-W108 AromaticContact CE2-CZ2 3.44Å; Y62-W108 HydrophobicContact CE2-CZ2 3.44Å; Y62-W108 VanDerWaalsContact CE2-CZ2 3.44Å
63P96.3Very high97.5Very high19 Ų1943.4 Ų43.412%0.12322%0.221CC..THydrogen-bonded Turncis-95.618.810.539.5-38.4000114.8R6 N65 W108 P110R6-P63 HydrophobicContact CG-CB 4.49Å; R6-P63 HydrophobicContact CG-CG 4.29Å; P63-N65 VanDerWaalsContact C-N 3.33Å; P63-W108 HydrophobicContact CB-CZ2 4.14Å; P63-W108 PolarHBondContact O-NE1 2.83Å; P63-P110 HydrophobicContact CB-CB 4.31Å; P63-P110 HydrophobicContact CG-CB 4.11Å; P63-P110 WeakPolarHBondContact O-CA 3.26Å
64L95.4Very high97.4Very high109 Ų10946.2 Ų46.257%0.57123%0.232SC*.SBendtrans-64-41.7178.8-61-179.2000111.3D61 P110D61-L64 HydrophobicContact CB-CB 4.49Å; D61-L64 HydrophobicContact CB-CD1 4.44Å; D61-L64 WeakPolarHBondContact O-CB 3.36Å; D61-L64 WeakPolarHBondContact O-CG 3.3Å; D61-L64 PolarHBondContact O-N 3.14Å; L64-P110 HydrophobicContact CD2-CG 4.5Å
65N96.6Very high97.4Very high57 Ų5747.1 Ų47.131%0.30524%0.236SC..SBendtrans-112.1150.3172.8-76.9-62.7000111.4P59 D61 Y62 P63P59-N65 HydrophobicContact CG-CB 3.9Å; P59-N65 WeakPolarHBondContact CG-O 3.33Å; D61-N65 PolarHBondContact OD2-ND2 2.85Å; Y62-N65 WeakPolarHBondContact CD2-O 3.36Å; P63-N65 VanDerWaalsContact C-N 3.33Å
66P97.7Very high97.3Very high18 Ų1845.1 Ų45.112%0.11723%0.23CC..PPolyproline II helixtrans-68.9156.7179.526.8-31.6000111.4P59 L91 W108P59-P66 WeakPolarHBondContact CD-O 3.36Å; P59-P66 WeakPolarHBondContact CG-O 3.27Å; P66-L91 VanDerWaalsContact CG-O 3.24Å; P66-L91 WeakPolarHBondContact CG-O 3.48Å; P66-W108 HydrophobicContact CB-CB 3.89Å; P66-W108 HydrophobicContact CB-CD2 3.55Å; P66-W108 HydrophobicContact CB-CE3 3.83Å; P66-W108 HydrophobicContact CB-CG 3.57Å; P66-W108 VanDerWaalsContact CD-CD1 3.49Å; P66-W108 HydrophobicContact CG-CB 3.92Å; P66-W108 HydrophobicContact CG-CD2 4.41Å; P66-W108 HydrophobicContact CG-CG 3.91Å
67P98.2Very high97.3Very high2 Ų245.1 Ų45.11%0.01323%0.23CC..PPolyproline II helixtrans-69.8165.8163.533.2-33.7000111.1M56 H57 F58 L91 I117M56-P67 HydrophobicContact CG-CB 3.5Å; M56-P67 VanDerWaalsContact CG-CB 3.5Å; M56-P67 HydrophobicContact CG-CG 3.85Å; M56-P67 HydrophobicContact SD-CB 3.89Å; M56-P67 HydrophobicContact SD-CG 3.58Å; M56-P67 VanDerWaalsContact SD-CG 3.58Å; H57-P67 CarbonylContact O-C 3.59Å; H57-P67 WeakPolarHBondContact O-CA 3.41Å; H57-P67 VanDerWaalsContact O-CB 3.3Å; H57-P67 WeakPolarHBondContact O-CB 3.32Å; F58-P67 HydrophobicContact CD1-CB 3.68Å; F58-P67 HydrophobicContact CD1-CG 4.18Å; F58-P67 HydrophobicContact CE1-CB 3.94Å; F58-P67 HydrophobicContact CE1-CG 4.07Å; F58-P67 HydrophobicContact CG-CB 4.15Å; P67-L91 HydrophobicContact CG-CD2 4.43Å; P67-L91 WeakPolarHBondContact O-CD2 3.32Å; P67-I117 HydrophobicContact CG-CD1 3.48Å; P67-I117 VanDerWaalsContact CG-CD1 3.48Å
68K98.3Very high97.3Very high140 Ų14041.3 Ų41.361%0.60921%0.212SC*.EExtended strand (participates in β ladder)trans-97.7136165-63.9-178.7-179.3-179.90109.2M56 H57M56-K68 CarbonylContact C-O 3.15Å; M56-K68 VanDerWaalsContact CA-O 3.29Å; M56-K68 WeakPolarHBondContact CA-O 3.47Å; H57-K68 PolarHBondContact N-O 3.28Å; H57-K68 PolarHBondContact O-N 3.04Å
69L98.6Very high97.3Very high2 Ų241 Ų411%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-115.5127.4174.2-175.668.1000109.7A54 M56 V86 L91 I117 L118 V121A54-L69 HydrophobicContact CB-CD1 3.8Å; A54-L69 HydrophobicContact CB-CG 4.39Å; M56-L69 HydrophobicContact CB-CD1 4.09Å; M56-L69 HydrophobicContact CE-CD1 3.94Å; L69-V86 HydrophobicContact CB-CB 4.41Å; L69-V86 HydrophobicContact CB-CG2 4.33Å; L69-V86 HydrophobicContact CD2-CB 4.45Å; L69-V86 HydrophobicContact CD2-CG2 3.97Å; L69-V86 HydrophobicContact CG-CG2 4Å; L69-V86 PolarHBondContact O-N 2.78Å; L69-L91 HydrophobicContact CB-CD1 3.93Å; L69-I117 HydrophobicContact CD2-CG2 4.43Å; L69-L118 HydrophobicContact CD2-CD2 4.45Å; L69-V121 HydrophobicContact CD2-CG2 3.5Å; L69-V121 VanDerWaalsContact CD2-CG2 3.5Å
70T98.6Very high97.3Very high38 Ų3839.3 Ų39.323%0.23320%0.2CC..EExtended strand (participates in β ladder)trans-132124.4178.8-59.90000109A54 R55 T72 G84A54-T70 CarbonylContact C-O 3.28Å; A54-T70 VanDerWaalsContact CA-O 3.29Å; A54-T70 WeakPolarHBondContact CA-O 3.41Å; R55-T70 PolarHBondContact N-O 3.07Å; R55-T70 PolarHBondContact O-N 3.03Å; T70-T72 PolarHBondContact O-N 2.81Å; T70-G84 CarbonylContact C-O 3.42Å; T70-G84 WeakPolarHBondContact CA-O 3.42Å
71F98.4Very high97.4Very high6 Ų636.5 Ų36.53%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-65.5128.9169.3-77.4-84.8000110.3I39 F52 C53 A54 M75 I80 G84 V86 V121I39-F71 HydrophobicContact CD1-CE1 4.12Å; I39-F71 HydrophobicContact CD1-CZ 4.06Å; F52-F71 HydrophobicContact CB-CD1 3.88Å; F52-F71 HydrophobicContact CB-CE1 3.58Å; C53-F71 CarbonylContact O-C 3.49Å; C53-F71 WeakPolarHBondContact O-CA 3.34Å; C53-F71 WeakPolarHBondContact O-CD1 3.48Å; A54-F71 HydrophobicContact CB-CD1 3.85Å; A54-F71 HydrophobicContact CB-CE1 4.14Å; A54-F71 HydrophobicContact CB-CG 4.18Å; F71-M75 HydrophobicContact CB-CB 4.38Å; F71-M75 HydrophobicContact CB-CG 3.48Å; F71-M75 VanDerWaalsContact CB-CG 3.48Å; F71-M75 HydrophobicContact CD1-CE 4.39Å; F71-M75 HydrophobicContact CD1-CG 3.74Å; F71-M75 HydrophobicContact CD1-SD 4.06Å; F71-M75 HydrophobicContact CD2-CG 3.96Å; F71-M75 HydrophobicContact CE1-CE 4.18Å; F71-M75 HydrophobicContact CE1-CG 4.46Å; F71-M75 HydrophobicContact CE1-SD 4.34Å; F71-M75 HydrophobicContact CE2-CE 4.38Å; F71-M75 HydrophobicContact CG-CG 3.45Å; F71-M75 VanDerWaalsContact CG-CG 3.45Å; F71-M75 HydrophobicContact CG-SD 4.34Å; F71-M75 HydrophobicContact CZ-CE 4.16Å; F71-I80 HydrophobicContact CD2-CD1 3.62Å; F71-I80 HydrophobicContact CD2-CG1 4.26Å; F71-I80 HydrophobicContact CD2-CG2 4.1Å; F71-I80 HydrophobicContact CE2-CD1 3.4Å; F71-I80 HydrophobicContact CE2-CG1 4.17Å; F71-I80 HydrophobicContact CZ-CD1 4.24Å; F71-G84 PolarHBondContact N-O 2.82Å; F71-V86 HydrophobicContact CD2-CG2 3.51Å; F71-V86 HydrophobicContact CE2-CG2 3.45Å; F71-V86 VanDerWaalsContact CE2-CG2 3.45Å; F71-V121 HydrophobicContact CE2-CG1 4.16Å; F71-V121 HydrophobicContact CZ-CG1 3.77Å
72T96.9Very high97.4Very high73 Ų7338.5 Ų38.545%0.44820%0.201SC..SBendtrans-91.9-27.3175.154.30000111.5C53 R55 T70C53-T72 VanDerWaalsContact CB-OG1 3.27Å; C53-T72 WeakPolarHBondContact CB-OG1 3.35Å; C53-T72 PolarHBondContact O-N 3.32Å; C53-T72 PolarHBondContact O-OG1 3.41Å; R55-T72 HydrophobicContact CB-CG2 3.97Å; T70-T72 PolarHBondContact O-N 2.81Å
73S95.7Very high97.4Very high4 Ų443.7 Ų43.73%0.02823%0.228CC..SBendtrans-72.7152.9165.355.40000111.4C53 M75 E163C53-S73 PolarHBondContact N-OG 3.33Å; C53-S73 VanDerWaalsContact N-OG 3.12Å; C53-S73 PolarHBondContact O-N 3.17Å; C53-S73 PolarHBondContact O-OG 3.43Å; S73-M75 PolarHBondContact O-N 3.49Å; S73-E163 VanDerWaalsContact CA-OE2 3.25Å; S73-E163 WeakPolarHBondContact CA-OE2 3.39Å; S73-E163 WeakPolarHBondContact CB-OE2 3.48Å
74E95.7Very high97.5Very high80 Ų8043 Ų4337%0.37423%0.225SC..  trans-54.8134.3170.6-174.9173.1139.500110R155 T156 I159E74-R155 IonicContact OE1-CZ 2.66Å; E74-R155 IonicContact OE1-NH1 3.08Å; E74-R155 PolarHBondContact OE1-NH1 2.7Å; E74-T156 WeakPolarHBondContact O-CG2 3.45Å; E74-I159 HydrophobicContact CB-CG2 4.28Å
75M97.6Very high97.6Very high19 Ų1941.2 Ų41.29%0.09421%0.214CC..  trans-134.2140177.5-72.5-58.3-75.200111.8Y47 F52 F71 S73 I80 L125 T156Y47-M75 HydrophobicContact CD1-CE 4.39Å; Y47-M75 HydrophobicContact CE1-CE 4.12Å; F52-M75 HydrophobicContact CB-SD 4.07Å; F52-M75 HydrophobicContact CD1-CE 4.1Å; F52-M75 HydrophobicContact CD1-SD 3.21Å; F52-M75 WeakPolarHBondContact CD1-SD 3.46Å; F52-M75 HydrophobicContact CE1-CE 4.41Å; F52-M75 HydrophobicContact CE1-SD 3.75Å; F52-M75 HydrophobicContact CG-CE 4.19Å; F52-M75 HydrophobicContact CG-SD 3.72Å; F71-M75 HydrophobicContact CB-CB 4.38Å; F71-M75 HydrophobicContact CB-CG 3.48Å; F71-M75 VanDerWaalsContact CB-CG 3.48Å; F71-M75 HydrophobicContact CD1-CE 4.39Å; F71-M75 HydrophobicContact CD1-CG 3.74Å; F71-M75 HydrophobicContact CD1-SD 4.06Å; F71-M75 HydrophobicContact CD2-CG 3.96Å; F71-M75 HydrophobicContact CE1-CE 4.18Å; F71-M75 HydrophobicContact CE1-CG 4.46Å; F71-M75 HydrophobicContact CE1-SD 4.34Å; F71-M75 HydrophobicContact CE2-CE 4.38Å; F71-M75 HydrophobicContact CG-CG 3.45Å; F71-M75 VanDerWaalsContact CG-CG 3.45Å; F71-M75 HydrophobicContact CG-SD 4.34Å; F71-M75 HydrophobicContact CZ-CE 4.16Å; S73-M75 PolarHBondContact O-N 3.49Å; M75-I80 HydrophobicContact CB-CD1 4.08Å; M75-I80 HydrophobicContact CB-CG2 4.04Å; M75-I80 HydrophobicContact CE-CD1 3.5Å; M75-I80 HydrophobicContact CG-CD1 4.19Å; M75-L125 HydrophobicContact CE-CD2 3.68Å; M75-T156 HydrophobicContact SD-CG2 4.14Å
76F98.1Very high97.6Very high32 Ų3239 Ų3914%0.1420%0.202CC..  trans-128.5102.4170.8-170.5-100.9000109Y47 A138 L141 Y149 Q152 V153Y47-F76 PolarHBondContact OH-O 3.01Å; F76-A138 HydrophobicContact CD1-CB 4.18Å; F76-A138 HydrophobicContact CD2-CB 4.42Å; F76-A138 HydrophobicContact CE1-CB 3.75Å; F76-A138 HydrophobicContact CE2-CB 4.02Å; F76-A138 HydrophobicContact CG-CB 4.5Å; F76-A138 VanDerWaalsContact CZ-CA 3.41Å; F76-A138 HydrophobicContact CZ-CB 3.66Å; F76-L141 HydrophobicContact CE1-CD1 4.05Å; F76-L141 HydrophobicContact CZ-CD1 3.83Å; F76-Y149 HydrophobicContact CD1-CD2 4.4Å; F76-Y149 HydrophobicContact CD1-CE2 4.17Å; F76-Y149 AromaticContact CE1-CD2 3.87Å; F76-Y149 HydrophobicContact CE1-CD2 3.87Å; F76-Y149 AromaticContact CE1-CE2 3.97Å; F76-Y149 HydrophobicContact CE1-CE2 3.97Å; F76-Q152 HydrophobicContact CD1-CB 3.56Å; F76-Q152 HydrophobicContact CD1-CG 4.41Å; F76-Q152 HydrophobicContact CE1-CB 3.71Å; F76-Q152 HydrophobicContact CE1-CG 4.12Å; F76-Q152 HydrophobicContact CG-CB 4.09Å; F76-Q152 HydrophobicContact CZ-CB 4.36Å; F76-Q152 HydrophobicContact CZ-CG 4.37Å; F76-V153 HydrophobicContact CD1-CG2 4.29Å
77H98.3Very high97.5Very high0 Ų039.1 Ų39.10%020%0.203CC..  trans-156.8143.3-175.3-175.6-89.1000110.7Y47 N79 I80 M124 P128 N135Y47-H77 AromaticContact CE2-CD2 3.74Å; Y47-H77 AromaticContact CZ-CD2 3.62Å; Y47-H77 WeakPolarHBondContact OH-CB 3.21Å; Y47-H77 PolarHBondContact OH-CD2 2.95Å; H77-N79 VanDerWaalsContact C-N 3.28Å; H77-N79 PolarHBondContact CE1-OD1 3.21Å; H77-N79 VanDerWaalsContact CE1-OD1 3.24Å; H77-N79 PolarHBondContact ND1-N 3.35Å; H77-N79 PolarHBondContact O-N 3.11Å; H77-I80 HydrophobicContact CB-CB 4.08Å; H77-I80 HydrophobicContact CB-CD1 3.64Å; H77-I80 HydrophobicContact CB-CG1 3.84Å; H77-I80 PolarHBondContact O-N 3.38Å; H77-M124 PolarHBondContact CE1-O 3.41Å; H77-M124 PolarHBondContact NE2-O 2.91Å; H77-P128 WeakPolarHBondContact NE2-CG 3.43Å; H77-N135 WeakPolarHBondContact O-CB 3.16Å
78P97.9Very high97.3Very high0 Ų040 Ų400%021%0.208CC..THydrogen-bonded Turntrans-54.1-37.5-179.8-30.637.4000115P128 V130 A133 A134 N135 A138 A139 W142 Y149P78-P128 HydrophobicContact CB-CB 4.05Å; P78-P128 HydrophobicContact CG-CB 3.67Å; P78-P128 HydrophobicContact CG-CG 4.4Å; P78-V130 HydrophobicContact CB-CG1 4.11Å; P78-V130 HydrophobicContact CG-CG1 4.14Å; P78-A133 HydrophobicContact CB-CB 4.39Å; P78-A133 CarbonylContact O-C 3.5Å; P78-A133 WeakPolarHBondContact O-CA 3.29Å; P78-A134 PolarHBondContact O-N 2.8Å; P78-N135 PolarHBondContact O-N 3.17Å; P78-A138 HydrophobicContact CG-CB 4.24Å; P78-A139 HydrophobicContact CB-CB 4.17Å; P78-W142 HydrophobicContact CG-CB 4.26Å; P78-Y149 VanDerWaalsContact CD-OH 3.23Å; P78-Y149 WeakPolarHBondContact CD-OH 3.3Å; P78-Y149 HydrophobicContact CG-CE2 4.35Å
79N97.8Very high97.1Very high7 Ų734.9 Ų34.94%0.03719%0.189CC..THydrogen-bonded Turntrans-97.213.5-178-54.8100000114.7H77 C87 M124 P128 N129H77-N79 VanDerWaalsContact C-N 3.28Å; H77-N79 PolarHBondContact CE1-OD1 3.21Å; H77-N79 VanDerWaalsContact CE1-OD1 3.24Å; H77-N79 PolarHBondContact ND1-N 3.35Å; H77-N79 PolarHBondContact O-N 3.11Å; N79-C87 PolarHBondContact O-N 3.04Å; N79-M124 HydrophobicContact CB-CG 3.88Å; N79-M124 HydrophobicContact CB-SD 3.56Å; N79-M124 VanDerWaalsContact CB-SD 3.56Å; N79-P128 WeakPolarHBondContact OD1-CA 3.47Å; N79-N129 PolarHBondContact ND2-O 2.91Å; N79-N129 PolarHBondContact OD1-N 2.91Å; N79-N129 PolarHBondContact OD1-O 2.82Å
80I98.3Very high96.9Very high0 Ų035.4 Ų35.40%019%0.192CC..BIsolated β-bridgetrans-121.8122175.2-55.9172.8000108F71 M75 H77 G84 Q85 M124 L125 N135F71-I80 HydrophobicContact CD2-CD1 3.62Å; F71-I80 HydrophobicContact CD2-CG1 4.26Å; F71-I80 HydrophobicContact CD2-CG2 4.1Å; F71-I80 HydrophobicContact CE2-CD1 3.4Å; F71-I80 HydrophobicContact CE2-CG1 4.17Å; F71-I80 HydrophobicContact CZ-CD1 4.24Å; M75-I80 HydrophobicContact CB-CD1 4.08Å; M75-I80 HydrophobicContact CB-CG2 4.04Å; M75-I80 HydrophobicContact CE-CD1 3.5Å; M75-I80 HydrophobicContact CG-CD1 4.19Å; H77-I80 HydrophobicContact CB-CB 4.08Å; H77-I80 HydrophobicContact CB-CD1 3.64Å; H77-I80 HydrophobicContact CB-CG1 3.84Å; H77-I80 PolarHBondContact O-N 3.38Å; I80-G84 WeakPolarHBondContact CG2-O 3.48Å; I80-Q85 WeakPolarHBondContact CA-O 2.97Å; I80-M124 HydrophobicContact CD1-CE 3.98Å; I80-M124 HydrophobicContact CG1-CE 3.98Å; I80-L125 HydrophobicContact CD1-CD2 4.24Å; I80-N135 VanDerWaalsContact O-CB 3.27Å; I80-N135 WeakPolarHBondContact O-CB 3.29Å
81Y97.7Very high96.8Very high89 Ų8934.6 Ų34.635%0.34919%0.186SC..  trans-61.1155.7176.1-73.5-77000111D83 G84 Q85 C87 A134Y81-D83 WeakPolarHBondContact CB-OD1 3.48Å; Y81-D83 PolarHBondContact O-N 3.21Å; Y81-G84 WeakPolarHBondContact O-CA 3.49Å; Y81-G84 PolarHBondContact O-N 3.14Å; Y81-Q85 HydrophobicContact CD2-CB 3.89Å; Y81-Q85 HydrophobicContact CD2-CG 4.04Å; Y81-Q85 WeakPolarHBondContact CD2-O 3.07Å; Y81-Q85 HydrophobicContact CG-CB 4.49Å; Y81-Q85 PolarHBondContact N-O 2.82Å; Y81-C87 HydrophobicContact CD2-CB 4.35Å; Y81-C87 HydrophobicContact CE2-CB 3.78Å; Y81-A134 HydrophobicContact CD1-CB 3.76Å; Y81-A134 VanDerWaalsContact CD1-O 3.28Å; Y81-A134 WeakPolarHBondContact CD1-O 3.3Å; Y81-A134 HydrophobicContact CD2-CB 3.75Å; Y81-A134 HydrophobicContact CE1-CB 3.76Å; Y81-A134 HydrophobicContact CE2-CB 3.76Å; Y81-A134 HydrophobicContact CG-CB 3.75Å
82P96.3Very high96.6Very high112 Ų11236.8 Ų36.873%0.72720%0.197SC*.THydrogen-bonded Turntrans-57.6-19.6177.5-26.735.9000115.3G84P82-G84 VanDerWaalsContact C-N 3.31Å
83D96.7Very high96.3Very high110 Ų11035.7 Ų35.759%0.58820%0.195SC*.THydrogen-bonded Turntrans-883.7174.569.6-8.7000113.6Y81 Q85Y81-D83 WeakPolarHBondContact CB-OD1 3.48Å; Y81-D83 PolarHBondContact O-N 3.21Å; D83-Q85 WeakPolarHBondContact OD1-CB 3.49Å; D83-Q85 PolarHBondContact OD1-N 3.42Å
84G97.8Very high96Very high6 Ų638.3 Ų38.36%0.06221%0.212CC..SBendtrans89.8-7.7-179.900000114.7T70 F71 I80 Y81 P82 V86T70-G84 CarbonylContact C-O 3.42Å; T70-G84 WeakPolarHBondContact CA-O 3.42Å; F71-G84 PolarHBondContact N-O 2.82Å; I80-G84 WeakPolarHBondContact CG2-O 3.48Å; Y81-G84 WeakPolarHBondContact O-CA 3.49Å; Y81-G84 PolarHBondContact O-N 3.14Å; P82-G84 VanDerWaalsContact C-N 3.31Å; G84-V86 PolarHBondContact O-N 2.89Å
85Q98.1Very high95.6Very high71 Ų7136.5 Ų36.533%0.33222%0.215SC..BIsolated β-bridgetrans-63.1130.2-179.8179.3173.589.900110.8I80 Y81 D83I80-Q85 WeakPolarHBondContact CA-O 2.97Å; Y81-Q85 HydrophobicContact CD2-CB 3.89Å; Y81-Q85 HydrophobicContact CD2-CG 4.04Å; Y81-Q85 WeakPolarHBondContact CD2-O 3.07Å; Y81-Q85 HydrophobicContact CG-CB 4.49Å; Y81-Q85 PolarHBondContact N-O 2.82Å; D83-Q85 WeakPolarHBondContact OD1-CB 3.49Å; D83-Q85 PolarHBondContact OD1-N 3.42Å
86V97.8Very high94.9Very high10 Ų1042.3 Ų42.36%0.06125%0.246CC..BIsolated β-bridgetrans-86.2132.6-180-175.30000110.4L69 F71 G84 I88 L91 V121 M124L69-V86 HydrophobicContact CB-CB 4.41Å; L69-V86 HydrophobicContact CB-CG2 4.33Å; L69-V86 HydrophobicContact CD2-CB 4.45Å; L69-V86 HydrophobicContact CD2-CG2 3.97Å; L69-V86 HydrophobicContact CG-CG2 4Å; L69-V86 PolarHBondContact O-N 2.78Å; F71-V86 HydrophobicContact CD2-CG2 3.51Å; F71-V86 HydrophobicContact CE2-CG2 3.45Å; F71-V86 VanDerWaalsContact CE2-CG2 3.45Å; G84-V86 PolarHBondContact O-N 2.89Å; V86-I88 HydrophobicContact CG1-CD1 4.22Å; V86-I88 HydrophobicContact CG1-CG1 4.03Å; V86-I88 HydrophobicContact CG1-CG2 4.22Å; V86-L91 HydrophobicContact CB-CD1 4.07Å; V86-L91 HydrophobicContact CG1-CD1 4.16Å; V86-V121 HydrophobicContact CG1-CG2 4.44Å; V86-M124 HydrophobicContact CG1-CE 4.41Å; V86-M124 HydrophobicContact CG1-SD 3.88Å
87C94.7Very high94.1Very high20 Ų2041.8 Ų41.814%0.13525%0.245CC..  trans-116.594.5178.7-167.50000110.2N79 Y81 A134N79-C87 PolarHBondContact O-N 3.04Å; Y81-C87 HydrophobicContact CD2-CB 4.35Å; Y81-C87 HydrophobicContact CE2-CB 3.78Å; C87-A134 HydrophobicContact CB-CB 3.76Å
88I93.9Very high93.2Very high21 Ų2147.7 Ų47.711%0.10828%0.283CS..  trans-141.3148.8175.755.8176000109.8V86 I90 L91 V121 M124V86-I88 HydrophobicContact CG1-CD1 4.22Å; V86-I88 HydrophobicContact CG1-CG1 4.03Å; V86-I88 HydrophobicContact CG1-CG2 4.22Å; I88-I90 VanDerWaalsContact C-N 3.27Å; I88-I90 HydrophobicContact CD1-CG2 3.51Å; I88-I90 HydrophobicContact CG1-CG2 3.79Å; I88-I90 PolarHBondContact O-N 2.73Å; I88-I90 VanDerWaalsContact O-N 3.15Å; I88-L91 HydrophobicContact CD1-CD1 4.22Å; I88-L91 HydrophobicContact CD1-CG 4.34Å; I88-L91 HydrophobicContact CG1-CB 4.38Å; I88-L91 HydrophobicContact CG1-CD1 3.77Å; I88-L91 HydrophobicContact CG1-CG 3.87Å; I88-L91 WeakPolarHBondContact O-CB 3.35Å; I88-L91 PolarHBondContact O-N 3.39Å; I88-V121 HydrophobicContact CD1-CG2 3.82Å; I88-M124 HydrophobicContact CG2-CB 4.06Å; I88-M124 HydrophobicContact CG2-CG 3.63Å; I88-M124 HydrophobicContact CG2-SD 3.32Å; I88-M124 WeakPolarHBondContact CG2-SD 3.35Å
89S93.2Very high92.4Very high32 Ų3252.2 Ų52.222%0.22431%0.311CS..G310 helixtrans-55.8-38-171.2-46.30000113.5L91 H92 E102 E106 R107S89-L91 PolarHBondContact O-N 3.16Å; S89-H92 VanDerWaalsContact O-CB 3.3Å; S89-H92 WeakPolarHBondContact O-CB 3.3Å; S89-H92 PolarHBondContact O-N 3.3Å; S89-E102 VanDerWaalsContact CB-OE1 3.3Å; S89-E102 WeakPolarHBondContact CB-OE1 3.33Å; S89-E102 VanDerWaalsContact OG-CD 3.29Å; S89-E102 PolarHBondContact OG-OE1 3.11Å; S89-E106 CarbonylContact C-O 3.3Å; S89-E106 WeakPolarHBondContact CB-O 3.46Å; S89-R107 WeakPolarHBondContact O-CA 3.41Å
90I95.1Very high91.5Very high14 Ų1455 Ų557%0.07234%0.341CS..G310 helixtrans-61.1-20.7178.4-165.7169.8000113.2I88 E106 W108 Q112 K116 I117I88-I90 VanDerWaalsContact C-N 3.27Å; I88-I90 HydrophobicContact CD1-CG2 3.51Å; I88-I90 HydrophobicContact CG1-CG2 3.79Å; I88-I90 PolarHBondContact O-N 2.73Å; I88-I90 VanDerWaalsContact O-N 3.15Å; I90-E106 WeakPolarHBondContact CA-O 3.5Å; I90-E106 PolarHBondContact N-O 3.47Å; I90-E106 VanDerWaalsContact N-O 3.11Å; I90-W108 HydrophobicContact CG1-CE3 4.44Å; I90-W108 WeakPolarHBondContact O-CB 3.2Å; I90-Q112 HydrophobicContact CD1-CB 4.34Å; I90-Q112 HydrophobicContact CD1-CG 4.11Å; I90-Q112 HydrophobicContact CG1-CB 4.49Å; I90-Q112 HydrophobicContact CG1-CG 4.08Å; I90-K116 HydrophobicContact CD1-CB 4.25Å; I90-I117 HydrophobicContact CD1-CG1 4.22Å; I90-I117 HydrophobicContact CG1-CG1 4.34Å
91L96.4Very high90.6Very high21 Ų2165 Ų6511%0.1138%0.38CS..G310 helixtrans-94.6-3.6175.4-63.5175.9000113P66 P67 L69 V86 I88 S89 I117P66-L91 VanDerWaalsContact CG-O 3.24Å; P66-L91 WeakPolarHBondContact CG-O 3.48Å; P67-L91 HydrophobicContact CG-CD2 4.43Å; P67-L91 WeakPolarHBondContact O-CD2 3.32Å; L69-L91 HydrophobicContact CB-CD1 3.93Å; V86-L91 HydrophobicContact CB-CD1 4.07Å; V86-L91 HydrophobicContact CG1-CD1 4.16Å; I88-L91 HydrophobicContact CD1-CD1 4.22Å; I88-L91 HydrophobicContact CD1-CG 4.34Å; I88-L91 HydrophobicContact CG1-CB 4.38Å; I88-L91 HydrophobicContact CG1-CD1 3.77Å; I88-L91 HydrophobicContact CG1-CG 3.87Å; I88-L91 WeakPolarHBondContact O-CB 3.35Å; I88-L91 PolarHBondContact O-N 3.39Å; S89-L91 PolarHBondContact O-N 3.16Å; L91-I117 HydrophobicContact CD2-CD1 4.16Å; L91-I117 HydrophobicContact CD2-CG1 4.2Å; L91-I117 HydrophobicContact CD2-CG2 3.82Å
92H94.1Very high89.8Confident52 Ų5262.5 Ų62.524%0.24137%0.372CS..SBendtrans-80.1146.3176-60.7167.3000111.3S89 E102 R107 W108S89-H92 VanDerWaalsContact O-CB 3.3Å; S89-H92 WeakPolarHBondContact O-CB 3.3Å; S89-H92 PolarHBondContact O-N 3.3Å; H92-E102 IonicContact CE1-OE1 3.11Å; H92-E102 PolarHBondContact CE1-OE1 3.17Å; H92-E102 IonicContact CE1-OE2 2.8Å; H92-E102 IonicContact CG-OE2 3.19Å; H92-E102 VanDerWaalsContact ND1-CD 3.27Å; H92-E102 IonicContact ND1-OE1 2.73Å; H92-E102 PolarHBondContact ND1-OE1 2.9Å; H92-E102 IonicContact ND1-OE2 3.88Å; H92-E102 PolarHBondContact ND1-OE2 2.72Å; H92-R107 HydrophobicContact CB-CG 4.49Å; H92-R107 VanDerWaalsContact CB-CZ 3.46Å; H92-W108 WeakPolarHBondContact O-CB 3.37Å; H92-W108 PolarHBondContact O-N 3Å; H92-W108 VanDerWaalsContact O-N 3.12Å
93A91.7Very high89.1Confident50 Ų5059.9 Ų59.941%0.41336%0.356SS..PPolyproline II helixtrans-53.4146.2-178.200000112.6R107A93-R107 VanDerWaalsContact O-CZ 3.29Å; A93-R107 PolarHBondContact O-NE 3.2Å; A93-R107 PolarHBondContact O-NH2 3.36Å
94P89.2Confident88.1Confident59 Ų5957 Ų5738%0.38335%0.348SS..SBendtrans-63.4156.7-178.228.9-37.1000112.3W108P94-W108 WeakPolarHBondContact CA-O 3.28Å; P94-W108 WeakPolarHBondContact CB-O 3.08Å
95G87.3Confident87.3Confident42 Ų4260.7 Ų60.743%0.43338%0.378SS..SBendtrans107.3-174.1-179.800000112.7R107G95-R107 WeakPolarHBondContact O-CD 3.48Å
96D83.4Confident86.8Confident141 Ų14162.3 Ų62.375%0.75439%0.385SS*.  trans-69.2139.5178.3-61.1-46000110.6P98D96-P98 WeakPolarHBondContact O-CD 3.48Å
97D81.2Confident86.5Confident20 Ų2063 Ų6311%0.10739%0.386CS..  trans-63.3122.8172.3175.49.7000109.7T99 G100 Y101 E102D97-T99 PolarHBondContact O-N 3Å; D97-T99 PolarHBondContact OD1-N 2.62Å; D97-T99 PolarHBondContact OD1-OG1 3.08Å; D97-T99 PolarHBondContact OD2-OG1 2.94Å; D97-G100 PolarHBondContact O-N 3.48Å; D97-G100 PolarHBondContact OD2-N 2.81Å; D97-Y101 WeakPolarHBondContact OD2-CA 3.49Å; D97-Y101 PolarHBondContact OD2-N 2.96Å; D97-E102 HydrophobicContact CB-CB 4.02Å; D97-E102 WeakPolarHBondContact CB-O 3.41Å; D97-E102 PolarHBondContact OD2-N 2.91Å
98P78Confident86.6Confident124 Ų12462.1 Ų62.181%0.80538%0.38SS*.THydrogen-bonded Turntrans-54.7-24.6176.4-25.734.4000114D96D96-P98 WeakPolarHBondContact O-CD 3.48Å
99T81.1Confident86.7Confident96 Ų9663 Ų6359%0.58939%0.388SS*.THydrogen-bonded Turntrans-98.4-11.7-179.260.80000113.9D97 Y101D97-T99 PolarHBondContact O-N 3Å; D97-T99 PolarHBondContact OD1-N 2.62Å; D97-T99 PolarHBondContact OD1-OG1 3.08Å; D97-T99 PolarHBondContact OD2-OG1 2.94Å; T99-Y101 VanDerWaalsContact C-N 3.27Å; T99-Y101 PolarHBondContact O-N 3.22Å; T99-Y101 VanDerWaalsContact OG1-CD2 3.28Å; T99-Y101 WeakPolarHBondContact OG1-CD2 3.48Å
100G80Confident86.8Confident65 Ų6564.1 Ų64.167%0.6740%0.395SS*.SBendtrans70.413.8179.400000115.4D97D97-G100 PolarHBondContact O-N 3.48Å; D97-G100 PolarHBondContact OD2-N 2.81Å
101Y78.8Confident86.7Confident209 Ų20968.8 Ų68.882%0.8242%0.424SS*.SBendtrans-82.6-32.1176.7-71.5-69.3000112.2D97 T99D97-Y101 WeakPolarHBondContact OD2-CA 3.49Å; D97-Y101 PolarHBondContact OD2-N 2.96Å; T99-Y101 VanDerWaalsContact C-N 3.27Å; T99-Y101 PolarHBondContact O-N 3.22Å; T99-Y101 VanDerWaalsContact OG1-CD2 3.28Å; T99-Y101 WeakPolarHBondContact OG1-CD2 3.48Å
102E81.1Confident86.7Confident38 Ų3869.2 Ų69.218%0.17843%0.425CS..SBendtrans-105.8136.2179.9-54.5178.7147.300111.2S89 H92 D97 R107S89-E102 VanDerWaalsContact CB-OE1 3.3Å; S89-E102 WeakPolarHBondContact CB-OE1 3.33Å; S89-E102 VanDerWaalsContact OG-CD 3.29Å; S89-E102 PolarHBondContact OG-OE1 3.11Å; H92-E102 IonicContact CE1-OE1 3.11Å; H92-E102 PolarHBondContact CE1-OE1 3.17Å; H92-E102 IonicContact CE1-OE2 2.8Å; H92-E102 IonicContact CG-OE2 3.19Å; H92-E102 VanDerWaalsContact ND1-CD 3.27Å; H92-E102 IonicContact ND1-OE1 2.73Å; H92-E102 PolarHBondContact ND1-OE1 2.9Å; H92-E102 IonicContact ND1-OE2 3.88Å; H92-E102 PolarHBondContact ND1-OE2 2.72Å; D97-E102 HydrophobicContact CB-CB 4.02Å; D97-E102 WeakPolarHBondContact CB-O 3.41Å; D97-E102 PolarHBondContact OD2-N 2.91Å; E102-R107 HydrophobicContact CB-CG 4.24Å; E102-R107 IonicContact OE2-CZ 2.83Å; E102-R107 IonicContact OE2-NH1 2.94Å; E102-R107 PolarHBondContact OE2-NH1 3.44Å
103S80.7Confident86.9Confident57 Ų5767.6 Ų67.640%0.39942%0.42SS..  trans-69.9147.6167.6710000110.4A105 E106 R107S103-A105 PolarHBondContact O-N 3.08Å; S103-E106 WeakPolarHBondContact CB-OE2 3.45Å; S103-E106 PolarHBondContact N-OE2 2.97Å; S103-E106 PolarHBondContact O-N 3.25Å; S103-E106 VanDerWaalsContact OG-CD 3.28Å; S103-E106 WeakPolarHBondContact OG-CG 3.36Å; S103-E106 PolarHBondContact OG-N 2.98Å; S103-E106 PolarHBondContact OG-OE2 2.96Å; S103-R107 PolarHBondContact O-N 3.49Å
104A75.9Confident87.1Confident49 Ų4965.2 Ų65.241%0.40540%0.4SS..THydrogen-bonded Turntrans-57.5-19.8173.300000113.1
105A82.5Confident87.5Confident84 Ų8464.7 Ų64.769%0.69439%0.393SS*.THydrogen-bonded Turntrans-76.7-26.8177.100000113.6S103 R107S103-A105 PolarHBondContact O-N 3.08Å; A105-R107 VanDerWaalsContact C-N 3.35Å
106E86.1Confident88Confident104 Ų10466.9 Ų66.949%0.48639%0.39SS..THydrogen-bonded Turntrans-80.7-21.7175.2-70.5158.7138.800111.9S89 I90 S103S89-E106 CarbonylContact C-O 3.3Å; S89-E106 WeakPolarHBondContact CB-O 3.46Å; I90-E106 WeakPolarHBondContact CA-O 3.5Å; I90-E106 PolarHBondContact N-O 3.47Å; I90-E106 VanDerWaalsContact N-O 3.11Å; S103-E106 WeakPolarHBondContact CB-OE2 3.45Å; S103-E106 PolarHBondContact N-OE2 2.97Å; S103-E106 PolarHBondContact O-N 3.25Å; S103-E106 VanDerWaalsContact OG-CD 3.28Å; S103-E106 WeakPolarHBondContact OG-CG 3.36Å; S103-E106 PolarHBondContact OG-N 2.98Å; S103-E106 PolarHBondContact OG-OE2 2.96Å
107R92.9Very high88.6Confident24 Ų2460.2 Ų60.29%0.09135%0.354CS..SBendtrans-79.8171-179.2-62.6-178.368.397.7-7.6112.7S89 H92 A93 G95 E102 S103 A105 S109S89-R107 WeakPolarHBondContact O-CA 3.41Å; H92-R107 HydrophobicContact CB-CG 4.49Å; H92-R107 VanDerWaalsContact CB-CZ 3.46Å; A93-R107 VanDerWaalsContact O-CZ 3.29Å; A93-R107 PolarHBondContact O-NE 3.2Å; A93-R107 PolarHBondContact O-NH2 3.36Å; G95-R107 WeakPolarHBondContact O-CD 3.48Å; E102-R107 HydrophobicContact CB-CG 4.24Å; E102-R107 IonicContact OE2-CZ 2.83Å; E102-R107 IonicContact OE2-NH1 2.94Å; E102-R107 PolarHBondContact OE2-NH1 3.44Å; S103-R107 PolarHBondContact O-N 3.49Å; A105-R107 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 2.94Å
108W96.8Very high89.5Confident2 Ų259.2 Ų59.21%0.00835%0.349CS..  trans-57.4137.8177.4179.9-105.9000111.6Y62 P63 P66 I90 H92 P94 Q112 I117Y62-W108 HydrophobicContact CD2-CZ2 4.11Å; Y62-W108 AromaticContact CE2-CH2 3.53Å; Y62-W108 HydrophobicContact CE2-CH2 3.53Å; Y62-W108 AromaticContact CE2-CZ2 3.44Å; Y62-W108 HydrophobicContact CE2-CZ2 3.44Å; Y62-W108 VanDerWaalsContact CE2-CZ2 3.44Å; P63-W108 HydrophobicContact CB-CZ2 4.14Å; P63-W108 PolarHBondContact O-NE1 2.83Å; P66-W108 HydrophobicContact CB-CB 3.89Å; P66-W108 HydrophobicContact CB-CD2 3.55Å; P66-W108 HydrophobicContact CB-CE3 3.83Å; P66-W108 HydrophobicContact CB-CG 3.57Å; P66-W108 VanDerWaalsContact CD-CD1 3.49Å; P66-W108 HydrophobicContact CG-CB 3.92Å; P66-W108 HydrophobicContact CG-CD2 4.41Å; P66-W108 HydrophobicContact CG-CG 3.91Å; I90-W108 HydrophobicContact CG1-CE3 4.44Å; I90-W108 WeakPolarHBondContact O-CB 3.2Å; H92-W108 WeakPolarHBondContact O-CB 3.37Å; H92-W108 PolarHBondContact O-N 3Å; H92-W108 VanDerWaalsContact O-N 3.12Å; P94-W108 WeakPolarHBondContact CA-O 3.28Å; P94-W108 WeakPolarHBondContact CB-O 3.08Å; W108-Q112 HydrophobicContact CD2-CB 4.48Å; W108-Q112 HydrophobicContact CE3-CB 3.72Å; W108-Q112 HydrophobicContact CE3-CG 4.16Å; W108-Q112 HydrophobicContact CH2-CB 3.88Å; W108-Q112 HydrophobicContact CZ3-CB 3.37Å; W108-Q112 HydrophobicContact CZ3-CG 4.3Å; W108-I117 HydrophobicContact CE3-CD1 4.45Å; W108-I117 HydrophobicContact CH2-CD1 4.17Å; W108-I117 HydrophobicContact CZ3-CD1 3.56Å; W108-I117 HydrophobicContact CZ3-CG1 4.01Å
109S94.9Very high90.3Very high39 Ų3957.1 Ų57.127%0.27333%0.331SS..  trans-137.2153.8163730000109.8R107 V111 Q112R107-S109 PolarHBondContact O-N 2.94Å; S109-V111 PolarHBondContact O-N 3.13Å; S109-Q112 WeakPolarHBondContact O-CB 3.25Å; S109-Q112 WeakPolarHBondContact O-CG 3.32Å; S109-Q112 PolarHBondContact O-N 3.33Å
110P95.1Very high91.1Very high56 Ų5654.5 Ų54.536%0.36432%0.316SS..THydrogen-bonded Turntrans-59.8-10.3178.5-27.236000115.6R6 P63 L64R6-P110 PolarHBondContact NH1-O 3.42Å; P63-P110 HydrophobicContact CB-CB 4.31Å; P63-P110 HydrophobicContact CG-CB 4.11Å; P63-P110 WeakPolarHBondContact O-CA 3.26Å; L64-P110 HydrophobicContact CD2-CG 4.5Å
111V94.7Very high91.9Very high112 Ų11251.4 Ų51.468%0.67928%0.284SS*.THydrogen-bonded Turntrans-82.8-18175.7-179.80000112S109S109-V111 PolarHBondContact O-N 3.13Å
112Q96.3Very high92.8Very high31 Ų3143 Ų4315%0.14525%0.254CS..  trans-70.1160.6172.9-56.3-61.711.600111R6 I90 W108 S109R6-Q112 PolarHBondContact NH2-O 3.29Å; I90-Q112 HydrophobicContact CD1-CB 4.34Å; I90-Q112 HydrophobicContact CD1-CG 4.11Å; I90-Q112 HydrophobicContact CG1-CB 4.49Å; I90-Q112 HydrophobicContact CG1-CG 4.08Å; W108-Q112 HydrophobicContact CD2-CB 4.48Å; W108-Q112 HydrophobicContact CE3-CB 3.72Å; W108-Q112 HydrophobicContact CE3-CG 4.16Å; W108-Q112 HydrophobicContact CH2-CB 3.88Å; W108-Q112 HydrophobicContact CZ3-CB 3.37Å; W108-Q112 HydrophobicContact CZ3-CG 4.3Å; S109-Q112 WeakPolarHBondContact O-CB 3.25Å; S109-Q112 WeakPolarHBondContact O-CG 3.32Å; S109-Q112 PolarHBondContact O-N 3.33Å
113S96.3Very high93.5Very high18 Ų1844.3 Ų44.313%0.12627%0.267CS..  trans-137.1166.1-177.559.60000110.8E10 E115 K116 I117E10-S113 VanDerWaalsContact OE2-CA 3.25Å; E10-S113 WeakPolarHBondContact OE2-CA 3.27Å; E10-S113 VanDerWaalsContact OE2-CB 3.26Å; E10-S113 WeakPolarHBondContact OE2-CB 3.44Å; S113-E115 PolarHBondContact O-N 2.84Å; S113-K116 PolarHBondContact O-N 2.92Å; S113-K116 VanDerWaalsContact O-N 3.13Å; S113-K116 PolarHBondContact OG-N 2.72Å; S113-I117 WeakPolarHBondContact O-CG1 3.25Å; S113-I117 PolarHBondContact O-N 3.13Å
114V97.6Very high94.2Very high0 Ų042.1 Ų42.10%025%0.25CS..Hα-helixtrans-53.4-44.1171.5176.70000110.7E10 L14 W35 M56 F58 K116 I117 L118E10-V114 WeakPolarHBondContact OE2-CG2 3.48Å; E10-V114 PolarHBondContact OE2-N 2.95Å; L14-V114 HydrophobicContact CD1-CB 4.09Å; L14-V114 HydrophobicContact CD1-CG1 3.85Å; W35-V114 HydrophobicContact CE3-CG1 4.01Å; W35-V114 HydrophobicContact CE3-CG2 4.42Å; W35-V114 HydrophobicContact CH2-CG2 4.18Å; W35-V114 HydrophobicContact CZ3-CB 4.14Å; W35-V114 HydrophobicContact CZ3-CG1 3.76Å; W35-V114 HydrophobicContact CZ3-CG2 3.97Å; M56-V114 HydrophobicContact CE-CG1 4.06Å; M56-V114 HydrophobicContact SD-CB 4.49Å; M56-V114 HydrophobicContact SD-CG1 4.05Å; M56-V114 HydrophobicContact SD-CG2 3.96Å; F58-V114 HydrophobicContact CE1-CG2 3.54Å; F58-V114 HydrophobicContact CZ-CG2 3.51Å; V114-K116 PolarHBondContact O-N 3.03Å; V114-I117 PolarHBondContact O-N 2.99Å; V114-L118 HydrophobicContact CG1-CD1 3.75Å; V114-L118 HydrophobicContact CG1-CG 4.28Å; V114-L118 WeakPolarHBondContact O-CG 3.06Å; V114-L118 PolarHBondContact O-N 3.19Å
115E97.2Very high95.1Very high48 Ų4840 Ų4022%0.22423%0.232CC..Hα-helixtrans-53.3-51.2174.9179.4179179.200112Q13 L14 P19 S113 I117 L118 L119Q13-E115 PolarHBondContact NE2-OE2 3.12Å; Q13-E115 VanDerWaalsContact NE2-OE2 3.13Å; L14-E115 HydrophobicContact CD2-CB 3.98Å; L14-E115 HydrophobicContact CD2-CG 4.43Å; P19-E115 HydrophobicContact CG-CG 3.75Å; S113-E115 PolarHBondContact O-N 2.84Å; E115-I117 PolarHBondContact O-N 3.45Å; E115-L118 PolarHBondContact O-N 3.24Å; E115-L119 HydrophobicContact CG-CD1 4.09Å; E115-L119 WeakPolarHBondContact O-CG 3.47Å; E115-L119 PolarHBondContact O-N 3.47Å
116K96.7Very high95.7Very high88 Ų8837.8 Ų37.838%0.38321%0.214SC..Hα-helixtrans-67.3-35.7-179.5-70-177.6-178.2174.90112.9I90 S113 V114 S120I90-K116 HydrophobicContact CD1-CB 4.25Å; S113-K116 PolarHBondContact O-N 2.92Å; S113-K116 VanDerWaalsContact O-N 3.13Å; S113-K116 PolarHBondContact OG-N 2.72Å; V114-K116 PolarHBondContact O-N 3.03Å; K116-S120 WeakPolarHBondContact O-CB 3.32Å; K116-S120 PolarHBondContact O-N 3.41Å; K116-S120 PolarHBondContact O-OG 3.06Å
117I97.8Very high96Very high0 Ų040 Ų400%022%0.224CC..Hα-helixtrans-59-52.6172.7-69.6161.5000109.4M56 P67 L69 I90 L91 W108 S113 V114 E115 L119 S120 V121M56-I117 HydrophobicContact CE-CB 4.37Å; M56-I117 HydrophobicContact CE-CD1 4.46Å; M56-I117 HydrophobicContact CE-CG2 3.82Å; M56-I117 HydrophobicContact SD-CD1 4.44Å; P67-I117 HydrophobicContact CG-CD1 3.48Å; P67-I117 VanDerWaalsContact CG-CD1 3.48Å; L69-I117 HydrophobicContact CD2-CG2 4.43Å; I90-I117 HydrophobicContact CD1-CG1 4.22Å; I90-I117 HydrophobicContact CG1-CG1 4.34Å; L91-I117 HydrophobicContact CD2-CD1 4.16Å; L91-I117 HydrophobicContact CD2-CG1 4.2Å; L91-I117 HydrophobicContact CD2-CG2 3.82Å; W108-I117 HydrophobicContact CE3-CD1 4.45Å; W108-I117 HydrophobicContact CH2-CD1 4.17Å; W108-I117 HydrophobicContact CZ3-CD1 3.56Å; W108-I117 HydrophobicContact CZ3-CG1 4.01Å; S113-I117 WeakPolarHBondContact O-CG1 3.25Å; S113-I117 PolarHBondContact O-N 3.13Å; V114-I117 PolarHBondContact O-N 2.99Å; E115-I117 PolarHBondContact O-N 3.45Å; I117-L119 PolarHBondContact O-N 3.45Å; I117-S120 WeakPolarHBondContact O-CA 3.28Å; I117-S120 WeakPolarHBondContact O-CB 3.31Å; I117-S120 PolarHBondContact O-N 2.92Å; I117-S120 VanDerWaalsContact O-N 3.08Å; I117-V121 HydrophobicContact CG2-CG2 4.5Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 3Å
118L98Very high96Very high0 Ų039.6 Ų39.60%023%0.225CC..Hα-helixtrans-66.8-36.9-175.4-64.1173.2000112.2I22 A24 C37 I39 M56 L69 V114 E115 S120 V121 I122I22-L118 HydrophobicContact CD1-CB 3.66Å; I22-L118 HydrophobicContact CG1-CB 4.34Å; I22-L118 HydrophobicContact CG2-CB 4.06Å; I22-L118 HydrophobicContact CG2-CD1 3.5Å; I22-L118 HydrophobicContact CG2-CG 4.36Å; A24-L118 HydrophobicContact CB-CD1 3.61Å; C37-L118 HydrophobicContact CB-CD2 4.18Å; I39-L118 HydrophobicContact CD1-CD2 4.08Å; M56-L118 HydrophobicContact CE-CD2 4.02Å; M56-L118 HydrophobicContact CE-CG 4.3Å; L69-L118 HydrophobicContact CD2-CD2 4.45Å; V114-L118 HydrophobicContact CG1-CD1 3.75Å; V114-L118 HydrophobicContact CG1-CG 4.28Å; V114-L118 WeakPolarHBondContact O-CG 3.06Å; V114-L118 PolarHBondContact O-N 3.19Å; E115-L118 PolarHBondContact O-N 3.24Å; L118-S120 VanDerWaalsContact C-N 3.33Å; L118-S120 PolarHBondContact O-N 2.96Å; L118-V121 WeakPolarHBondContact O-CB 3.42Å; L118-V121 PolarHBondContact O-N 3.01Å; L118-I122 PolarHBondContact O-N 3.35Å
119L96.8Very high95.7Very high79 Ų7943.2 Ų43.241%0.41424%0.244SC..Hα-helixtrans-62.1-39.9170.4-72.1171.2000112.2P19 I22 E115 I117 V121 I122 S123P19-L119 HydrophobicContact CB-CD2 4.14Å; I22-L119 HydrophobicContact CD1-CD2 4.06Å; I22-L119 HydrophobicContact CD1-CG 4.29Å; E115-L119 HydrophobicContact CG-CD1 4.09Å; E115-L119 WeakPolarHBondContact O-CG 3.47Å; E115-L119 PolarHBondContact O-N 3.47Å; I117-L119 PolarHBondContact O-N 3.45Å; L119-V121 VanDerWaalsContact C-N 3.28Å; L119-V121 PolarHBondContact O-N 3.07Å; L119-I122 PolarHBondContact O-N 2.87Å; L119-S123 PolarHBondContact O-N 2.93Å
120S96.2Very high95.5Very high41 Ų4143 Ų4329%0.28724%0.241SC..Hα-helixtrans-64.9-33.6175.3-55.20000111.8K116 I117 L118 S123 M124K116-S120 WeakPolarHBondContact O-CB 3.32Å; K116-S120 PolarHBondContact O-N 3.41Å; K116-S120 PolarHBondContact O-OG 3.06Å; I117-S120 WeakPolarHBondContact O-CA 3.28Å; I117-S120 WeakPolarHBondContact O-CB 3.31Å; I117-S120 PolarHBondContact O-N 2.92Å; I117-S120 VanDerWaalsContact O-N 3.08Å; L118-S120 VanDerWaalsContact C-N 3.33Å; L118-S120 PolarHBondContact O-N 2.96Å; S120-S123 PolarHBondContact O-N 2.71Å; S120-M124 VanDerWaalsContact O-CB 3.27Å; S120-M124 WeakPolarHBondContact O-CB 3.47Å; S120-M124 PolarHBondContact O-N 2.82Å
121V97.4Very high95Very high0 Ų049 Ų490%027%0.265CS..Hα-helixtrans-68.5-41.8175.4175.70000111.3I39 L69 F71 V86 I88 I117 L118 L119 M124 L125I39-V121 HydrophobicContact CD1-CB 4.35Å; I39-V121 HydrophobicContact CD1-CG1 3.71Å; L69-V121 HydrophobicContact CD2-CG2 3.5Å; L69-V121 VanDerWaalsContact CD2-CG2 3.5Å; F71-V121 HydrophobicContact CE2-CG1 4.16Å; F71-V121 HydrophobicContact CZ-CG1 3.77Å; V86-V121 HydrophobicContact CG1-CG2 4.44Å; I88-V121 HydrophobicContact CD1-CG2 3.82Å; I117-V121 HydrophobicContact CG2-CG2 4.5Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 3Å; L118-V121 WeakPolarHBondContact O-CB 3.42Å; L118-V121 PolarHBondContact O-N 3.01Å; L119-V121 VanDerWaalsContact C-N 3.28Å; L119-V121 PolarHBondContact O-N 3.07Å; V121-M124 HydrophobicContact CG1-CE 4.15Å; V121-M124 WeakPolarHBondContact O-CB 3.04Å; V121-M124 PolarHBondContact O-N 2.86Å; V121-L125 WeakPolarHBondContact O-CG 3.49Å; V121-L125 PolarHBondContact O-N 2.97Å
122I96.9Very high94.4Very high34 Ų3447.8 Ų47.817%0.17426%0.261CS..Hα-helixtrans-59.3-47.7173.6-73.1-179.1000110.7I22 I39 P42 L118 L119 M124 L125 A126I22-I122 HydrophobicContact CD1-CD1 3.43Å; I22-I122 VanDerWaalsContact CD1-CD1 3.43Å; I22-I122 HydrophobicContact CD1-CG1 4.35Å; I22-I122 HydrophobicContact CG1-CD1 3.46Å; I22-I122 VanDerWaalsContact CG1-CD1 3.46Å; I22-I122 HydrophobicContact CG1-CG1 4.47Å; I39-I122 HydrophobicContact CG2-CD1 4.32Å; I39-I122 HydrophobicContact CG2-CG1 3.72Å; P42-I122 HydrophobicContact CB-CG2 4.31Å; P42-I122 HydrophobicContact CG-CG2 3.82Å; P42-I122 WeakPolarHBondContact CG-O 3.4Å; L118-I122 PolarHBondContact O-N 3.35Å; L119-I122 PolarHBondContact O-N 2.87Å; I122-M124 PolarHBondContact O-N 3.05Å; I122-L125 PolarHBondContact O-N 2.8Å; I122-A126 PolarHBondContact O-N 3.34Å
123S95.7Very high94.2Very high65 Ų6547.3 Ų47.346%0.45526%0.262SS..Hα-helixtrans-61.3-43.8176.4174.80000111.6L119 S120 L125 A126 E127L119-S123 PolarHBondContact O-N 2.93Å; S120-S123 PolarHBondContact O-N 2.71Å; S123-L125 VanDerWaalsContact C-N 3.34Å; S123-L125 PolarHBondContact O-N 2.88Å; S123-A126 WeakPolarHBondContact O-CB 3.36Å; S123-A126 PolarHBondContact O-N 2.86Å; S123-A126 VanDerWaalsContact O-N 3.1Å; S123-E127 PolarHBondContact O-N 2.99Å
124M95.3Very high94.1Very high11 Ų1147 Ų475%0.05426%0.261CS..Hα-helixtrans-58.8-41.4175.4176.8-146.468.300112.2H77 N79 I80 V86 I88 S120 V121 I122 A126 E127H77-M124 PolarHBondContact CE1-O 3.41Å; H77-M124 PolarHBondContact NE2-O 2.91Å; N79-M124 HydrophobicContact CB-CG 3.88Å; N79-M124 HydrophobicContact CB-SD 3.56Å; N79-M124 VanDerWaalsContact CB-SD 3.56Å; I80-M124 HydrophobicContact CD1-CE 3.98Å; I80-M124 HydrophobicContact CG1-CE 3.98Å; V86-M124 HydrophobicContact CG1-CE 4.41Å; V86-M124 HydrophobicContact CG1-SD 3.88Å; I88-M124 HydrophobicContact CG2-CB 4.06Å; I88-M124 HydrophobicContact CG2-CG 3.63Å; I88-M124 HydrophobicContact CG2-SD 3.32Å; I88-M124 WeakPolarHBondContact CG2-SD 3.35Å; S120-M124 VanDerWaalsContact O-CB 3.27Å; S120-M124 WeakPolarHBondContact O-CB 3.47Å; S120-M124 PolarHBondContact O-N 2.82Å; V121-M124 HydrophobicContact CG1-CE 4.15Å; V121-M124 WeakPolarHBondContact O-CB 3.04Å; V121-M124 PolarHBondContact O-N 2.86Å; I122-M124 PolarHBondContact O-N 3.05Å; M124-A126 PolarHBondContact O-N 3.15Å; M124-E127 CarbonylContact O-C 3.58Å; M124-E127 VanDerWaalsContact O-C 3.3Å; M124-E127 PolarHBondContact O-N 2.85Å
125L96.8Very high94.1Very high3 Ų347.7 Ų47.72%0.01627%0.265CS..Hα-helixtrans-62.8-31.8177.1-72.6174.8000112.6I39 P42 Y47 M75 I80 V121 I122 S123I39-L125 HydrophobicContact CG2-CD1 4.23Å; P42-L125 HydrophobicContact CG-CB 4.16Å; Y47-L125 HydrophobicContact CD1-CD2 4.26Å; Y47-L125 HydrophobicContact CD2-CB 4.21Å; Y47-L125 HydrophobicContact CD2-CD2 4.34Å; Y47-L125 VanDerWaalsContact CD2-O 3.31Å; Y47-L125 WeakPolarHBondContact CD2-O 3.24Å; Y47-L125 HydrophobicContact CE1-CD2 4.21Å; Y47-L125 HydrophobicContact CE2-CD2 4.29Å; Y47-L125 WeakPolarHBondContact CE2-O 3.36Å; Y47-L125 HydrophobicContact CG-CD2 4.36Å; M75-L125 HydrophobicContact CE-CD2 3.68Å; I80-L125 HydrophobicContact CD1-CD2 4.24Å; V121-L125 WeakPolarHBondContact O-CG 3.49Å; V121-L125 PolarHBondContact O-N 2.97Å; I122-L125 PolarHBondContact O-N 2.8Å; S123-L125 VanDerWaalsContact C-N 3.34Å; S123-L125 PolarHBondContact O-N 2.88Å
126A94.6Very high94.1Very high39 Ų3951.8 Ų51.832%0.32229%0.287SS..Hα-helixtrans-79.1-39176.100000112.4T45 I122 S123 M124T45-A126 HydrophobicContact CG2-CB 3.66Å; I122-A126 PolarHBondContact O-N 3.34Å; S123-A126 WeakPolarHBondContact O-CB 3.36Å; S123-A126 PolarHBondContact O-N 2.86Å; S123-A126 VanDerWaalsContact O-N 3.1Å; M124-A126 PolarHBondContact O-N 3.15Å
127E93Very high94.1Very high149 Ų14950.3 Ų50.370%0.69629%0.292SS*.SBendtrans-127.484-172.9-64.4-177.5-106.700111.3S123 M124 N129S123-E127 PolarHBondContact O-N 2.99Å; M124-E127 CarbonylContact O-C 3.58Å; M124-E127 VanDerWaalsContact O-C 3.3Å; M124-E127 PolarHBondContact O-N 2.85Å; E127-N129 PolarHBondContact O-N 2.65Å
128P92.8Very high94.1Very high16 Ų1650.3 Ų50.310%0.10429%0.292CS..  trans-69.6133.6-177.7-2135.2000112.1H77 P78 N79 V130 W142H77-P128 WeakPolarHBondContact NE2-CG 3.43Å; P78-P128 HydrophobicContact CB-CB 4.05Å; P78-P128 HydrophobicContact CG-CB 3.67Å; P78-P128 HydrophobicContact CG-CG 4.4Å; N79-P128 WeakPolarHBondContact OD1-CA 3.47Å; P128-V130 PolarHBondContact O-N 3.04Å; P128-W142 HydrophobicContact CB-CD2 4.38Å; P128-W142 HydrophobicContact CB-CE3 4.29Å; P128-W142 HydrophobicContact CB-CZ3 4.48Å; P128-W142 HydrophobicContact CG-CD2 4.12Å; P128-W142 HydrophobicContact CG-CE3 3.63Å; P128-W142 HydrophobicContact CG-CH2 3.65Å; P128-W142 HydrophobicContact CG-CZ2 4.08Å; P128-W142 HydrophobicContact CG-CZ3 3.41Å; P128-W142 VanDerWaalsContact CG-CZ3 3.41Å
129N90.4Very high94.1Very high78 Ų7850.3 Ų50.342%0.41729%0.292SS..  trans-86.6106.5169.8-177.6-12.9000110N79 E127 E131N79-N129 PolarHBondContact ND2-O 2.91Å; N79-N129 PolarHBondContact OD1-N 2.91Å; N79-N129 PolarHBondContact OD1-O 2.82Å; E127-N129 PolarHBondContact O-N 2.65Å; N129-E131 WeakPolarHBondContact OD1-CB 3.48Å; N129-E131 PolarHBondContact OD1-N 3.35Å
130V89.7Confident94.1Very high35 Ų3552.5 Ų52.521%0.21230%0.298CS..  trans-90.7-2.5-179.7-63.60000114.6P78 P128 A139 W142 R143P78-V130 HydrophobicContact CB-CG1 4.11Å; P78-V130 HydrophobicContact CG-CG1 4.14Å; P128-V130 PolarHBondContact O-N 3.04Å; V130-A139 HydrophobicContact CB-CB 4.37Å; V130-A139 HydrophobicContact CG1-CB 4.22Å; V130-W142 HydrophobicContact CG1-CB 4.23Å; V130-W142 VanDerWaalsContact CG1-CD1 3.47Å; V130-W142 HydrophobicContact CG1-CG 3.85Å; V130-R143 HydrophobicContact CG2-CG 4.28Å; V130-R143 PolarHBondContact O-NH1 2.74Å
131E84.5Confident94.1Very high183 Ų18352.4 Ų52.486%0.85529%0.294SS*.THydrogen-bonded Turntrans-73.4-36.1-179.9-58.8-171.7154.600111.4N129N129-E131 WeakPolarHBondContact OD1-CB 3.48Å; N129-E131 PolarHBondContact OD1-N 3.35Å
132S83.2Confident94.1Very high86 Ų8655.2 Ų55.260%0.60130%0.304SS*.THydrogen-bonded Turntrans-128.966.7173.7-176.20000111.1
133A91.3Very high94Very high20 Ų2060 Ų6017%0.16532%0.32CS..  trans-74.3127.6-175.900000113.2P78 N135 L136 A139P78-A133 HydrophobicContact CB-CB 4.39Å; P78-A133 CarbonylContact O-C 3.5Å; P78-A133 WeakPolarHBondContact O-CA 3.29Å; A133-N135 VanDerWaalsContact C-N 3.28Å; A133-L136 HydrophobicContact CB-CD2 4.5Å; A133-A139 HydrophobicContact CB-CB 3.4Å
134A94.9Very high94.1Very high12 Ų1262.2 Ų62.210%0.09933%0.327CS..SBendtrans-68.4-27.2167.900000112.8P78 Y81 C87P78-A134 PolarHBondContact O-N 2.8Å; Y81-A134 HydrophobicContact CD1-CB 3.76Å; Y81-A134 VanDerWaalsContact CD1-O 3.28Å; Y81-A134 WeakPolarHBondContact CD1-O 3.3Å; Y81-A134 HydrophobicContact CD2-CB 3.75Å; Y81-A134 HydrophobicContact CE1-CB 3.76Å; Y81-A134 HydrophobicContact CE2-CB 3.76Å; Y81-A134 HydrophobicContact CG-CB 3.75Å; C87-A134 HydrophobicContact CB-CB 3.76Å
135N97.5Very high94.2Very high15 Ų1565.1 Ų65.18%0.0834%0.343CS..  trans-124.597.7177.5-177-20.8000110.5H77 P78 I80 A133 A137 A138 A139H77-N135 WeakPolarHBondContact O-CB 3.16Å; P78-N135 PolarHBondContact O-N 3.17Å; I80-N135 VanDerWaalsContact O-CB 3.27Å; I80-N135 WeakPolarHBondContact O-CB 3.29Å; A133-N135 VanDerWaalsContact C-N 3.28Å; N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 2.8Å; N135-A137 WeakPolarHBondContact OD1-CB 3.33Å; N135-A137 PolarHBondContact OD1-N 2.82Å; N135-A137 VanDerWaalsContact OD1-N 3.16Å; N135-A138 HydrophobicContact CB-CB 3.99Å; N135-A138 PolarHBondContact O-N 3.22Å; N135-A138 PolarHBondContact OD1-N 2.91Å; N135-A139 PolarHBondContact O-N 3.43Å
136L96.2Very high94.2Very high134 Ų13469.2 Ų69.270%0.70236%0.358SS*.Hα-helixtrans-62.3-31.7-178.2-61.1-179.8000112.9A133 K140A133-L136 HydrophobicContact CB-CD2 4.5Å; L136-K140 VanDerWaalsContact O-CB 3.28Å; L136-K140 WeakPolarHBondContact O-CB 3.29Å; L136-K140 PolarHBondContact O-N 2.76Å
137A97Very high94.3Very high57 Ų5770.7 Ų70.747%0.47137%0.37SS..Hα-helixtrans-68.7-45.7177.600000111N135 K140 L141N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 2.8Å; N135-A137 WeakPolarHBondContact OD1-CB 3.33Å; N135-A137 PolarHBondContact OD1-N 2.82Å; N135-A137 VanDerWaalsContact OD1-N 3.16Å; A137-K140 PolarHBondContact O-N 3.16Å; A137-L141 WeakPolarHBondContact O-CG 3.34Å; A137-L141 PolarHBondContact O-N 3.08Å
138A97.9Very high94.6Very high0 Ų066.7 Ų66.70%035%0.352CS..Hα-helixtrans-62.3-43.9174.600000111.6F76 P78 N135 K140 L141 W142 Y149F76-A138 HydrophobicContact CD1-CB 4.18Å; F76-A138 HydrophobicContact CD2-CB 4.42Å; F76-A138 HydrophobicContact CE1-CB 3.75Å; F76-A138 HydrophobicContact CE2-CB 4.02Å; F76-A138 HydrophobicContact CG-CB 4.5Å; F76-A138 VanDerWaalsContact CZ-CA 3.41Å; F76-A138 HydrophobicContact CZ-CB 3.66Å; P78-A138 HydrophobicContact CG-CB 4.24Å; N135-A138 HydrophobicContact CB-CB 3.99Å; N135-A138 PolarHBondContact O-N 3.22Å; N135-A138 PolarHBondContact OD1-N 2.91Å; A138-K140 PolarHBondContact O-N 3.48Å; A138-L141 PolarHBondContact O-N 3.45Å; A138-W142 VanDerWaalsContact O-CB 3.3Å; A138-W142 WeakPolarHBondContact O-CB 3.35Å; A138-W142 PolarHBondContact O-N 2.92Å; A138-Y149 HydrophobicContact CB-CE2 4.21Å; A138-Y149 WeakPolarHBondContact O-CD2 3.42Å
139A97.2Very high94.8Very high0 Ų066 Ų660%035%0.347CS..Hα-helixtrans-64.7-38.4177.500000113.1P78 V130 A133 N135 W142 R143P78-A139 HydrophobicContact CB-CB 4.17Å; V130-A139 HydrophobicContact CB-CB 4.37Å; V130-A139 HydrophobicContact CG1-CB 4.22Å; A133-A139 HydrophobicContact CB-CB 3.4Å; N135-A139 PolarHBondContact O-N 3.43Å; A139-W142 PolarHBondContact O-N 3.11Å; A139-R143 WeakPolarHBondContact O-CG 3.47Å; A139-R143 PolarHBondContact O-N 3.3Å; A139-R143 VanDerWaalsContact O-N 3.08Å
140K97.1Very high95.2Very high125 Ų12566 Ų6654%0.54334%0.344SS..Hα-helixtrans-63.7-49.7175-174.3-178.5178.8179.90111.2L136 A137 A138 W142 R143 D144L136-K140 VanDerWaalsContact O-CB 3.28Å; L136-K140 WeakPolarHBondContact O-CB 3.29Å; L136-K140 PolarHBondContact O-N 2.76Å; A137-K140 PolarHBondContact O-N 3.16Å; A138-K140 PolarHBondContact O-N 3.48Å; K140-W142 VanDerWaalsContact C-N 3.3Å; K140-W142 PolarHBondContact O-N 3.36Å; K140-R143 PolarHBondContact O-N 2.88Å; K140-D144 VanDerWaalsContact CG-OD2 3.29Å; K140-D144 WeakPolarHBondContact CG-OD2 3.43Å; K140-D144 WeakPolarHBondContact O-CB 3.5Å; K140-D144 PolarHBondContact O-N 2.84Å
141L97.7Very high95.6Very high39 Ų3971 Ų7120%0.20436%0.363CS..Hα-helixtrans-62.4-39.7176.4-67-175.3000111.4F76 A137 A138 R143 D145 R146 Q148 Y149 Q152F76-L141 HydrophobicContact CE1-CD1 4.05Å; F76-L141 HydrophobicContact CZ-CD1 3.83Å; A137-L141 WeakPolarHBondContact O-CG 3.34Å; A137-L141 PolarHBondContact O-N 3.08Å; A138-L141 PolarHBondContact O-N 3.45Å; L141-R143 VanDerWaalsContact C-N 3.29Å; L141-R143 PolarHBondContact O-N 3.12Å; L141-D145 HydrophobicContact CD2-CB 4.31Å; L141-D145 CarbonylContact O-C 3.54Å; L141-D145 WeakPolarHBondContact O-CA 3.21Å; L141-D145 PolarHBondContact O-N 2.77Å; L141-R146 PolarHBondContact O-N 3.44Å; L141-Q148 HydrophobicContact CD1-CG 3.96Å; L141-Q148 HydrophobicContact CD2-CB 4.21Å; L141-Q148 HydrophobicContact CD2-CG 3.89Å; L141-Y149 HydrophobicContact CB-CD2 4.06Å; L141-Q152 HydrophobicContact CD1-CG 4.13Å
142W96Very high96.2Very high58 Ų5865 Ų6522%0.2234%0.335CS..Hα-helixtrans-56.1-42.3175.6178.4-80.1000112.4P78 P128 V130 A138 A139 K140 R146 Y149P78-W142 HydrophobicContact CG-CB 4.26Å; P128-W142 HydrophobicContact CB-CD2 4.38Å; P128-W142 HydrophobicContact CB-CE3 4.29Å; P128-W142 HydrophobicContact CB-CZ3 4.48Å; P128-W142 HydrophobicContact CG-CD2 4.12Å; P128-W142 HydrophobicContact CG-CE3 3.63Å; P128-W142 HydrophobicContact CG-CH2 3.65Å; P128-W142 HydrophobicContact CG-CZ2 4.08Å; P128-W142 HydrophobicContact CG-CZ3 3.41Å; P128-W142 VanDerWaalsContact CG-CZ3 3.41Å; V130-W142 HydrophobicContact CG1-CB 4.23Å; V130-W142 VanDerWaalsContact CG1-CD1 3.47Å; V130-W142 HydrophobicContact CG1-CG 3.85Å; A138-W142 VanDerWaalsContact O-CB 3.3Å; A138-W142 WeakPolarHBondContact O-CB 3.35Å; A138-W142 PolarHBondContact O-N 2.92Å; A139-W142 PolarHBondContact O-N 3.11Å; K140-W142 VanDerWaalsContact C-N 3.3Å; K140-W142 PolarHBondContact O-N 3.36Å; W142-R146 VanDerWaalsContact CH2-NH1 3.29Å; W142-R146 WeakPolarHBondContact O-CD 3.21Å; W142-Y149 HydrophobicContact CB-CD2 4.09Å; W142-Y149 HydrophobicContact CB-CE2 4.2Å; W142-Y149 AromaticContact CE3-CD1 3.98Å; W142-Y149 HydrophobicContact CE3-CD1 3.98Å; W142-Y149 AromaticContact CE3-CE1 3.48Å; W142-Y149 HydrophobicContact CE3-CE1 3.48Å; W142-Y149 VanDerWaalsContact CE3-CE1 3.48Å; W142-Y149 HydrophobicContact CE3-CE2 4.06Å; W142-Y149 HydrophobicContact CE3-CG 4.47Å; W142-Y149 AromaticContact CE3-CZ 3.53Å; W142-Y149 HydrophobicContact CZ3-CD1 4.35Å; W142-Y149 AromaticContact CZ3-CE1 3.71Å; W142-Y149 HydrophobicContact CZ3-CE1 3.71Å
143R95.2Very high96.9Very high135 Ų13560.9 Ų60.951%0.50931%0.306SS..Hα-helixtrans-80.9-44.1-179.4-69.9-171.7-58.5-99.2-2.1113.6V130 A139 K140 L141V130-R143 HydrophobicContact CG2-CG 4.28Å; V130-R143 PolarHBondContact O-NH1 2.74Å; A139-R143 WeakPolarHBondContact O-CG 3.47Å; A139-R143 PolarHBondContact O-N 3.3Å; A139-R143 VanDerWaalsContact O-N 3.08Å; K140-R143 PolarHBondContact O-N 2.88Å; L141-R143 VanDerWaalsContact C-N 3.29Å; L141-R143 PolarHBondContact O-N 3.12Å
144D97Very high97.2Very high112 Ų11263.1 Ų63.160%0.59931%0.313SS*.Hα-helixtrans-103.4-23.7-163.7-54.9-14.8000112.8K140K140-D144 VanDerWaalsContact CG-OD2 3.29Å; K140-D144 WeakPolarHBondContact CG-OD2 3.43Å; K140-D144 WeakPolarHBondContact O-CB 3.5Å; K140-D144 PolarHBondContact O-N 2.84Å
145D97.7Very high97.4Very high72 Ų7268.7 Ų68.739%0.38533%0.331SS..  trans-153.279.8-175-170.7-13.6000112.4L141 A147 Q148 Y149L141-D145 HydrophobicContact CD2-CB 4.31Å; L141-D145 CarbonylContact O-C 3.54Å; L141-D145 WeakPolarHBondContact O-CA 3.21Å; L141-D145 PolarHBondContact O-N 2.77Å; D145-A147 PolarHBondContact O-N 2.73Å; D145-A147 PolarHBondContact OD1-N 2.66Å; D145-Q148 HydrophobicContact CB-CB 4.17Å; D145-Q148 PolarHBondContact O-N 2.84Å; D145-Q148 WeakPolarHBondContact OD1-CB 3.11Å; D145-Q148 PolarHBondContact OD1-N 2.98Å; D145-Q148 VanDerWaalsContact OD2-CB 3.23Å; D145-Q148 WeakPolarHBondContact OD2-CB 3.3Å; D145-Y149 PolarHBondContact O-N 2.86Å
146R96.7Very high97.3Very high89 Ų8968 Ų6834%0.33633%0.327SS..Hα-helixtrans-57-35.2179.3-65.7-65.4-65.2167.5-13.8113.4Y46 L141 W142 Y149 E150Y46-R146 PolarHBondContact OH-NE 2.62Å; Y46-R146 PolarHBondContact OH-NH2 3.47Å; L141-R146 PolarHBondContact O-N 3.44Å; W142-R146 VanDerWaalsContact CH2-NH1 3.29Å; W142-R146 WeakPolarHBondContact O-CD 3.21Å; R146-Y149 WeakPolarHBondContact O-CB 3.36Å; R146-Y149 PolarHBondContact O-N 2.77Å; R146-E150 WeakPolarHBondContact O-CB 3.44Å; R146-E150 PolarHBondContact O-N 3.33Å
147A98.1Very high97.4Very high70 Ų7062.1 Ų62.158%0.57930%0.297SS*.Hα-helixtrans-69.2-43.3-178.300000111D145 E150 K151D145-A147 PolarHBondContact O-N 2.73Å; D145-A147 PolarHBondContact OD1-N 2.66Å; A147-E150 PolarHBondContact O-N 2.88Å; A147-K151 PolarHBondContact O-N 2.85Å
148Q98.2Very high97.3Very high65 Ų6566.4 Ų66.430%0.30431%0.305SS..Hα-helixtrans-70.5-35.4175.2-176.266.5-16.900112L141 D145 K151 Q152L141-Q148 HydrophobicContact CD1-CG 3.96Å; L141-Q148 HydrophobicContact CD2-CB 4.21Å; L141-Q148 HydrophobicContact CD2-CG 3.89Å; D145-Q148 HydrophobicContact CB-CB 4.17Å; D145-Q148 PolarHBondContact O-N 2.84Å; D145-Q148 WeakPolarHBondContact OD1-CB 3.11Å; D145-Q148 PolarHBondContact OD1-N 2.98Å; D145-Q148 VanDerWaalsContact OD2-CB 3.23Å; D145-Q148 WeakPolarHBondContact OD2-CB 3.3Å; Q148-K151 PolarHBondContact O-N 3.15Å; Q148-Q152 WeakPolarHBondContact O-CG 3.15Å; Q148-Q152 PolarHBondContact O-N 3.35Å; Q148-Q152 VanDerWaalsContact O-N 3.11Å
149Y98.1Very high97.2Very high0 Ų068.1 Ų68.10%031%0.314CS..Hα-helixtrans-57.2-53171.4-177.1-92.8000111.2Y46 Y47 F76 P78 A138 L141 W142 D145 R146 K151 Q152 V153Y46-Y149 AromaticContact CD2-CD1 3.62Å; Y46-Y149 HydrophobicContact CD2-CD1 3.62Å; Y46-Y149 AromaticContact CD2-CE1 3.67Å; Y46-Y149 HydrophobicContact CD2-CE1 3.67Å; Y46-Y149 AromaticContact CE2-CD1 3.72Å; Y46-Y149 HydrophobicContact CE2-CD1 3.72Å; Y46-Y149 HydrophobicContact CE2-CE1 4.14Å; Y47-Y149 PolarHBondContact OH-OH 3.38Å; F76-Y149 HydrophobicContact CD1-CD2 4.4Å; F76-Y149 HydrophobicContact CD1-CE2 4.17Å; F76-Y149 AromaticContact CE1-CD2 3.87Å; F76-Y149 HydrophobicContact CE1-CD2 3.87Å; F76-Y149 AromaticContact CE1-CE2 3.97Å; F76-Y149 HydrophobicContact CE1-CE2 3.97Å; P78-Y149 VanDerWaalsContact CD-OH 3.23Å; P78-Y149 WeakPolarHBondContact CD-OH 3.3Å; P78-Y149 HydrophobicContact CG-CE2 4.35Å; A138-Y149 HydrophobicContact CB-CE2 4.21Å; A138-Y149 WeakPolarHBondContact O-CD2 3.42Å; L141-Y149 HydrophobicContact CB-CD2 4.06Å; W142-Y149 HydrophobicContact CB-CD2 4.09Å; W142-Y149 HydrophobicContact CB-CE2 4.2Å; W142-Y149 AromaticContact CE3-CD1 3.98Å; W142-Y149 HydrophobicContact CE3-CD1 3.98Å; W142-Y149 AromaticContact CE3-CE1 3.48Å; W142-Y149 HydrophobicContact CE3-CE1 3.48Å; W142-Y149 VanDerWaalsContact CE3-CE1 3.48Å; W142-Y149 HydrophobicContact CE3-CE2 4.06Å; W142-Y149 HydrophobicContact CE3-CG 4.47Å; W142-Y149 AromaticContact CE3-CZ 3.53Å; W142-Y149 HydrophobicContact CZ3-CD1 4.35Å; W142-Y149 AromaticContact CZ3-CE1 3.71Å; W142-Y149 HydrophobicContact CZ3-CE1 3.71Å; D145-Y149 PolarHBondContact O-N 2.86Å; R146-Y149 WeakPolarHBondContact O-CB 3.36Å; R146-Y149 PolarHBondContact O-N 2.77Å; Y149-K151 VanDerWaalsContact C-N 3.28Å; Y149-K151 PolarHBondContact O-N 2.8Å; Y149-Q152 PolarHBondContact O-N 3.05Å; Y149-Q152 VanDerWaalsContact O-N 3.09Å; Y149-V153 HydrophobicContact CD1-CG2 3.94Å; Y149-V153 HydrophobicContact CE1-CG2 3.42Å; Y149-V153 VanDerWaalsContact CE1-CG2 3.42Å; Y149-V153 HydrophobicContact CE2-CG2 4.34Å; Y149-V153 PolarHBondContact O-N 3.3Å
150E97.8Very high97.1Very high78 Ų7868.1 Ų68.136%0.36431%0.314SS..Hα-helixtrans-55.6-44.7177.7178.2177.9-179.200111.2Y46 R146 A147 Q152 V153 K154Y46-E150 HydrophobicContact CD1-CB 4.01Å; Y46-E150 HydrophobicContact CD1-CG 3.63Å; Y46-E150 HydrophobicContact CD2-CB 4.5Å; Y46-E150 HydrophobicContact CE1-CB 3.87Å; Y46-E150 HydrophobicContact CE1-CG 3.76Å; Y46-E150 HydrophobicContact CE2-CB 4.3Å; Y46-E150 HydrophobicContact CG-CB 4.34Å; Y46-E150 HydrophobicContact CG-CG 4.25Å; R146-E150 WeakPolarHBondContact O-CB 3.44Å; R146-E150 PolarHBondContact O-N 3.33Å; A147-E150 PolarHBondContact O-N 2.88Å; E150-Q152 VanDerWaalsContact C-N 3.3Å; E150-Q152 PolarHBondContact O-N 3.48Å; E150-V153 PolarHBondContact O-N 3.06Å; E150-K154 HydrophobicContact CG-CG 4.05Å; E150-K154 WeakPolarHBondContact O-CB 3.28Å; E150-K154 VanDerWaalsContact O-CG 3.32Å; E150-K154 WeakPolarHBondContact O-CG 3.48Å; E150-K154 PolarHBondContact O-N 2.72Å
151K98.2Very high96.9Very high141 Ų14165.9 Ų65.961%0.61331%0.308SS*.Hα-helixtrans-58.1-41.1177.6-173.5-179.5178.6-179.60112.8A147 Q148 Y149 R155A147-K151 PolarHBondContact O-N 2.85Å; Q148-K151 PolarHBondContact O-N 3.15Å; Y149-K151 VanDerWaalsContact C-N 3.28Å; Y149-K151 PolarHBondContact O-N 2.8Å; K151-R155 PolarHBondContact O-N 3.22Å; K151-R155 VanDerWaalsContact O-N 3.17Å
152Q98Very high96.5Very high56 Ų5671.5 Ų71.526%0.26233%0.33SS..Hα-helixtrans-67.3-46.6176.5-66.5-63.8-1100111.1F76 L141 Q148 Y149 E150 K154 R155 T156F76-Q152 HydrophobicContact CD1-CB 3.56Å; F76-Q152 HydrophobicContact CD1-CG 4.41Å; F76-Q152 HydrophobicContact CE1-CB 3.71Å; F76-Q152 HydrophobicContact CE1-CG 4.12Å; F76-Q152 HydrophobicContact CG-CB 4.09Å; F76-Q152 HydrophobicContact CZ-CB 4.36Å; F76-Q152 HydrophobicContact CZ-CG 4.37Å; L141-Q152 HydrophobicContact CD1-CG 4.13Å; Q148-Q152 WeakPolarHBondContact O-CG 3.15Å; Q148-Q152 PolarHBondContact O-N 3.35Å; Q148-Q152 VanDerWaalsContact O-N 3.11Å; Y149-Q152 PolarHBondContact O-N 3.05Å; Y149-Q152 VanDerWaalsContact O-N 3.09Å; E150-Q152 VanDerWaalsContact C-N 3.3Å; E150-Q152 PolarHBondContact O-N 3.48Å; Q152-K154 PolarHBondContact O-N 3.15Å; Q152-R155 WeakPolarHBondContact O-CA 3.45Å; Q152-R155 VanDerWaalsContact O-CB 3.3Å; Q152-R155 WeakPolarHBondContact O-CB 3.09Å; Q152-R155 PolarHBondContact O-N 3.29Å; Q152-T156 PolarHBondContact O-N 2.85Å; Q152-T156 PolarHBondContact O-OG1 3.36Å
153V98Very high95.8Very high0 Ų073 Ų730%034%0.34CS..Hα-helixtrans-63.4-41.4178.6176.90000111.7Y47 F76 Y149 E150 R155 T156 V157Y47-V153 HydrophobicContact CD1-CG1 3.56Å; Y47-V153 HydrophobicContact CD2-CG1 4.23Å; Y47-V153 HydrophobicContact CE1-CB 4.44Å; Y47-V153 HydrophobicContact CE1-CG1 3.47Å; Y47-V153 VanDerWaalsContact CE1-CG1 3.47Å; Y47-V153 HydrophobicContact CE1-CG2 4.16Å; Y47-V153 HydrophobicContact CE2-CG1 4.14Å; Y47-V153 HydrophobicContact CG-CG1 3.92Å; F76-V153 HydrophobicContact CD1-CG2 4.29Å; Y149-V153 HydrophobicContact CD1-CG2 3.94Å; Y149-V153 HydrophobicContact CE1-CG2 3.42Å; Y149-V153 VanDerWaalsContact CE1-CG2 3.42Å; Y149-V153 HydrophobicContact CE2-CG2 4.34Å; Y149-V153 PolarHBondContact O-N 3.3Å; E150-V153 PolarHBondContact O-N 3.06Å; V153-R155 PolarHBondContact O-N 2.89Å; V153-T156 CarbonylContact O-C 2.95Å; V153-T156 WeakPolarHBondContact O-CA 3.31Å; V153-T156 VanDerWaalsContact O-CB 3.26Å; V153-T156 WeakPolarHBondContact O-CB 3.46Å; V153-T156 PolarHBondContact O-N 2.92Å; V153-V157 HydrophobicContact CG1-CG2 4.41Å; V153-V157 WeakPolarHBondContact O-CG2 3.37Å; V153-V157 PolarHBondContact O-N 3.05Å
154K97.7Very high95Very high68 Ų6869.9 Ų69.930%0.29633%0.333SS..Hα-helixtrans-65.3-25.1175.5-67.5-58.3-177.3-165.20112.6Y46 E150 Q152 K158Y46-K154 WeakPolarHBondContact O-CE 3.4Å; Y46-K154 PolarHBondContact O-NZ 3.46Å; E150-K154 HydrophobicContact CG-CG 4.05Å; E150-K154 WeakPolarHBondContact O-CB 3.28Å; E150-K154 VanDerWaalsContact O-CG 3.32Å; E150-K154 WeakPolarHBondContact O-CG 3.48Å; E150-K154 PolarHBondContact O-N 2.72Å; Q152-K154 PolarHBondContact O-N 3.15Å; K154-K158 VanDerWaalsContact O-CG 3.29Å; K154-K158 WeakPolarHBondContact O-CG 3.34Å; K154-K158 PolarHBondContact O-N 3.38Å
155R97.5Very high93.8Very high128 Ų12870.1 Ų70.148%0.48333%0.334SS..Hα-helixtrans-69.4-46.4168.4177.6177.5175.1-92.7-7.7110.4E74 K151 Q152 V153 V157 K158 I159E74-R155 IonicContact OE1-CZ 2.66Å; E74-R155 IonicContact OE1-NH1 3.08Å; E74-R155 PolarHBondContact OE1-NH1 2.7Å; K151-R155 PolarHBondContact O-N 3.22Å; K151-R155 VanDerWaalsContact O-N 3.17Å; Q152-R155 WeakPolarHBondContact O-CA 3.45Å; Q152-R155 VanDerWaalsContact O-CB 3.3Å; Q152-R155 WeakPolarHBondContact O-CB 3.09Å; Q152-R155 PolarHBondContact O-N 3.29Å; V153-R155 PolarHBondContact O-N 2.89Å; R155-V157 PolarHBondContact O-N 2.93Å; R155-K158 PolarHBondContact O-N 2.91Å; R155-I159 HydrophobicContact CG-CD1 3.99Å; R155-I159 WeakPolarHBondContact O-CG1 3.42Å; R155-I159 PolarHBondContact O-N 3.3Å
156T96.6Very high92.1Very high1 Ų171.7 Ų71.71%0.00635%0.348CS..Hα-helixtrans-56.2-48.2174.9-51.40000112F52 E74 M75 Q152 V153 K158 I159 S160F52-T156 HydrophobicContact CE1-CG2 4.07Å; E74-T156 WeakPolarHBondContact O-CG2 3.45Å; M75-T156 HydrophobicContact SD-CG2 4.14Å; Q152-T156 PolarHBondContact O-N 2.85Å; Q152-T156 PolarHBondContact O-OG1 3.36Å; V153-T156 CarbonylContact O-C 2.95Å; V153-T156 WeakPolarHBondContact O-CA 3.31Å; V153-T156 VanDerWaalsContact O-CB 3.26Å; V153-T156 WeakPolarHBondContact O-CB 3.46Å; V153-T156 PolarHBondContact O-N 2.92Å; T156-K158 VanDerWaalsContact C-N 3.33Å; T156-K158 PolarHBondContact O-N 3.08Å; T156-I159 PolarHBondContact O-N 3.2Å; T156-I159 VanDerWaalsContact O-N 3.11Å; T156-S160 PolarHBondContact O-N 2.89Å
157V97.3Very high90Very high11 Ų1179.6 Ų79.67%0.06739%0.389CS..Hα-helixtrans-56-45.2175.7168.70000111.6F52 V153 R155 I159 S160 L161F52-V157 HydrophobicContact CZ-CG2 4.02Å; V153-V157 HydrophobicContact CG1-CG2 4.41Å; V153-V157 WeakPolarHBondContact O-CG2 3.37Å; V153-V157 PolarHBondContact O-N 3.05Å; R155-V157 PolarHBondContact O-N 2.93Å; V157-I159 VanDerWaalsContact C-N 3.32Å; V157-I159 PolarHBondContact O-N 3.1Å; V157-S160 PolarHBondContact O-N 2.98Å; V157-S160 PolarHBondContact O-OG 3.38Å; V157-L161 WeakPolarHBondContact O-CG 3.49Å; V157-L161 PolarHBondContact O-N 3.39Å
158K96.3Very high89.6Confident147 Ų14780.1 Ų80.164%0.63938%0.379SS*.Hα-helixtrans-65.8-34.1178.5-73.6173-176.9-178.90113K154 R155 T156 K162K154-K158 VanDerWaalsContact O-CG 3.29Å; K154-K158 WeakPolarHBondContact O-CG 3.34Å; K154-K158 PolarHBondContact O-N 3.38Å; R155-K158 PolarHBondContact O-N 2.91Å; T156-K158 VanDerWaalsContact C-N 3.33Å; T156-K158 PolarHBondContact O-N 3.08Å; K158-K162 WeakPolarHBondContact O-CG 3.34Å
159I95.5Very high89.2Confident36 Ų3680.9 Ų80.919%0.18538%0.383CS..Hα-helixtrans-70.2-46.1177.8-69.7167.6000109.6E74 R155 T156 V157 L161 K162 E163E74-I159 HydrophobicContact CB-CG2 4.28Å; R155-I159 HydrophobicContact CG-CD1 3.99Å; R155-I159 WeakPolarHBondContact O-CG1 3.42Å; R155-I159 PolarHBondContact O-N 3.3Å; T156-I159 PolarHBondContact O-N 3.2Å; T156-I159 VanDerWaalsContact O-N 3.11Å; V157-I159 VanDerWaalsContact C-N 3.32Å; V157-I159 PolarHBondContact O-N 3.1Å; I159-L161 PolarHBondContact O-N 3.33Å; I159-K162 WeakPolarHBondContact O-CA 3.48Å; I159-K162 WeakPolarHBondContact O-CB 3.49Å; I159-K162 PolarHBondContact O-N 3.33Å; I159-E163 HydrophobicContact CG2-CG 4.27Å; I159-E163 WeakPolarHBondContact CG2-OE1 3.42Å; I159-E163 PolarHBondContact O-N 2.88Å
160S95.1Very high88.7Confident0 Ų085.4 Ų85.40%041%0.405CS..Hα-helixtrans-58.5-35.7-177.1103.60000112.6I51 T156 V157 E163 L164I51-S160 PolarHBondContact N-OG 2.78Å; I51-S160 WeakPolarHBondContact O-CB 3.48Å; I51-S160 PolarHBondContact O-OG 2.95Å; T156-S160 PolarHBondContact O-N 2.89Å; V157-S160 PolarHBondContact O-N 2.98Å; V157-S160 PolarHBondContact O-OG 3.38Å; S160-E163 PolarHBondContact O-N 3.39Å; S160-L164 PolarHBondContact O-N 3.22Å
161L91.8Very high88.1Confident78 Ų7885.8 Ų85.841%0.40841%0.407SS..Hα-helixtrans-69.5-31.4175.3-66.8175.9000113.6N49 I51 V157 I159N49-L161 WeakPolarHBondContact O-CD2 3.31Å; I51-L161 HydrophobicContact CD1-CD2 4.32Å; I51-L161 HydrophobicContact CG1-CD2 4.36Å; V157-L161 WeakPolarHBondContact O-CG 3.49Å; V157-L161 PolarHBondContact O-N 3.39Å; I159-L161 PolarHBondContact O-N 3.33Å
162K89.8Confident87.5Confident157 Ų15782.4 Ų82.468%0.68339%0.394SS*.Hα-helixtrans-75.2-33.8176.5-68.8179.4177-167.50112.1K158 I159 L164 N165K158-K162 WeakPolarHBondContact O-CG 3.34Å; I159-K162 WeakPolarHBondContact O-CA 3.48Å; I159-K162 WeakPolarHBondContact O-CB 3.49Å; I159-K162 PolarHBondContact O-N 3.33Å; K162-L164 VanDerWaalsContact C-N 3.27Å; K162-L164 PolarHBondContact O-N 2.86Å; K162-N165 CarbonylContact O-C 3.58Å; K162-N165 VanDerWaalsContact O-C 3.28Å; K162-N165 PolarHBondContact O-N 3.15Å
163E82.2Confident86.8Confident89 Ų8984.1 Ų84.142%0.41640%0.403SS..Hα-helixtrans-66.8-29.8178.2-69.8176.1169.400112.4S73 I159 S160S73-E163 VanDerWaalsContact CA-OE2 3.25Å; S73-E163 WeakPolarHBondContact CA-OE2 3.39Å; S73-E163 WeakPolarHBondContact CB-OE2 3.48Å; I159-E163 HydrophobicContact CG2-CG 4.27Å; I159-E163 WeakPolarHBondContact CG2-OE1 3.42Å; I159-E163 PolarHBondContact O-N 2.88Å; S160-E163 PolarHBondContact O-N 3.39Å
164L76.9Confident86Confident69 Ų6990.1 Ų90.136%0.36143%0.432SS..Hα-helixtrans-79.4-27.9176.8-74.9175.5000114.5Y38 I51 S160 K162 P166Y38-L164 HydrophobicContact CD1-CD2 4.05Å; Y38-L164 HydrophobicContact CE1-CD2 3.84Å; I51-L164 HydrophobicContact CB-CD1 3.38Å; I51-L164 HydrophobicContact CD1-CD1 3.55Å; I51-L164 HydrophobicContact CG1-CD1 4.03Å; I51-L164 HydrophobicContact CG2-CD1 3.44Å; I51-L164 VanDerWaalsContact CG2-CD1 3.44Å; S160-L164 PolarHBondContact O-N 3.22Å; K162-L164 VanDerWaalsContact C-N 3.27Å; K162-L164 PolarHBondContact O-N 2.86Å; L164-P166 VanDerWaalsContact C-CD 3.49Å
165N73.3Confident85.1Confident118 Ų11891.8 Ų91.863%0.63144%0.442SS*.SBendtrans-128.672.4179.2-169.265.6000109.3K162 E167K162-N165 CarbonylContact O-C 3.58Å; K162-N165 VanDerWaalsContact O-C 3.28Å; K162-N165 PolarHBondContact O-N 3.15Å; N165-E167 PolarHBondContact O-N 3.04Å
166P60.6Low84.1Confident104 Ų10488.8 Ų88.868%0.67544%0.439SS*.  trans-64110.5171.327.3-31.4000107.5L164L164-P166 VanDerWaalsContact C-CD 3.49Å
167E53.5Low82.9Confident256 Ų25696.8 Ų96.8100%1.19648%0.478SS*.  trans-52.70174.3-68.2-175.4162.800112.6N165N165-E167 PolarHBondContact O-N 3.04Å

Retrieved 167 of 167 residues in 116.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).