A0A087XB40_POEFO Loading...

Tubulin tyrosine ligase-like family, member 2

AlphaFold DB , UniProt , Accession A0A087XB40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 570 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
1M48Very low81.2Confident239 Ų23961.7 Ų61.7100%1.17734%0.343SS*.  0142.40-69.5-176.2-97.300109.3
2A60.6Low80.6Confident57 Ų5771.3 Ų71.347%0.47137%0.37SS..PPolyproline II helixtrans-71.6146.6166.300000109.3
3A71.2Confident80.7Confident39 Ų3967.1 Ų67.132%0.32235%0.354SS..PPolyproline II helixtrans-78.2144.7176.100000110.2L5 G339A3-L5 PolarHBondContact O-N 3.5Å; A3-G339 WeakPolarHBondContact CB-O 3.46Å; A3-G339 PolarHBondContact N-O 3.43Å
4S86.7Confident81.5Confident46 Ų4663.1 Ų63.132%0.32233%0.334SS..PPolyproline II helixtrans-51.1136.3171.7-42.40000110.3K27 R341S4-K27 WeakPolarHBondContact OG-CE 3.48Å; S4-K27 PolarHBondContact OG-NZ 3.49Å; S4-R341 PolarHBondContact O-NH1 3.49Å; S4-R341 PolarHBondContact O-NH2 3.31Å
5L93.2Very high82.3Confident35 Ų3565.1 Ų65.118%0.18334%0.341CS..PPolyproline II helixtrans-62.3148175.2-62.8174.1000110.3A3 W26 K27 N40 Y334 D338A3-L5 PolarHBondContact O-N 3.5Å; L5-W26 HydrophobicContact CB-CD2 3.58Å; L5-W26 HydrophobicContact CB-CE3 3.6Å; L5-W26 HydrophobicContact CB-CG 4.19Å; L5-W26 HydrophobicContact CB-CH2 3.91Å; L5-W26 HydrophobicContact CB-CZ2 3.93Å; L5-W26 HydrophobicContact CB-CZ3 3.77Å; L5-W26 HydrophobicContact CD1-CD2 4.43Å; L5-W26 HydrophobicContact CD1-CH2 3.86Å; L5-W26 HydrophobicContact CD1-CZ2 3.38Å; L5-W26 HydrophobicContact CG-CH2 4.43Å; L5-W26 HydrophobicContact CG-CZ2 4.28Å; L5-W26 WeakPolarHBondContact O-CA 3.29Å; L5-K27 PolarHBondContact O-N 3.46Å; L5-N40 WeakPolarHBondContact CA-OD1 3.42Å; L5-N40 HydrophobicContact CD2-CB 4.32Å; L5-Y334 HydrophobicContact CD1-CG 4.14Å; L5-D338 HydrophobicContact CD2-CB 4.14Å
6V94.1Very high83.2Confident0 Ų061.4 Ų61.40%032%0.322CS..EExtended strand (participates in β ladder)trans-123.2131.8-174171.10000111K27 Y29 R34 W39 N40 L41V6-K27 VanDerWaalsContact CA-O 3.24Å; V6-K27 WeakPolarHBondContact CA-O 3.43Å; V6-K27 HydrophobicContact CG2-CB 4.32Å; V6-Y29 HydrophobicContact CG1-CD2 4.02Å; V6-Y29 HydrophobicContact CG1-CG 4.45Å; V6-R34 VanDerWaalsContact CG2-CZ 3.48Å; V6-W39 HydrophobicContact CG1-CB 4.07Å; V6-N40 PolarHBondContact N-OD1 3.19Å; V6-N40 VanDerWaalsContact N-OD1 3.13Å; V6-N40 WeakPolarHBondContact O-CA 3.3Å; V6-N40 WeakPolarHBondContact O-CB 3.48Å; V6-N40 PolarHBondContact O-N 2.92Å; V6-L41 PolarHBondContact O-N 2.95Å; V6-L41 VanDerWaalsContact O-N 3.12Å
7F95.6Very high83.9Confident2 Ų257.9 Ų57.91%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-113140.5173.870.8-86.4000111.4L9 R18 L21 L22 W26 K27 E28 Y29 L41F7-L9 HydrophobicContact CD2-CB 4.33Å; F7-L9 HydrophobicContact CE2-CB 4.38Å; F7-R18 HydrophobicContact CE2-CB 4.42Å; F7-R18 HydrophobicContact CE2-CG 4.33Å; F7-R18 HydrophobicContact CZ-CG 4.12Å; F7-L21 HydrophobicContact CB-CD1 3.76Å; F7-L21 HydrophobicContact CD1-CB 3.74Å; F7-L21 HydrophobicContact CD1-CD1 3.99Å; F7-L21 HydrophobicContact CD1-CG 4.43Å; F7-L21 HydrophobicContact CD2-CD1 3.82Å; F7-L21 HydrophobicContact CE1-CB 3.77Å; F7-L21 HydrophobicContact CE2-CD1 4.41Å; F7-L21 HydrophobicContact CG-CB 4.23Å; F7-L21 HydrophobicContact CG-CD1 3.58Å; F7-L21 HydrophobicContact CG-CG 4.49Å; F7-L21 HydrophobicContact CZ-CB 4.3Å; F7-L22 HydrophobicContact CE1-CD2 4.01Å; F7-L22 HydrophobicContact CE1-CG 4.26Å; F7-L22 HydrophobicContact CZ-CD2 4.14Å; F7-L22 HydrophobicContact CZ-CG 4.14Å; F7-W26 HydrophobicContact CB-CE3 4.05Å; F7-W26 HydrophobicContact CB-CZ3 4.46Å; F7-W26 HydrophobicContact CD1-CB 3.83Å; F7-W26 HydrophobicContact CD1-CE3 4.44Å; F7-W26 HydrophobicContact CE1-CB 4.21Å; F7-K27 PolarHBondContact N-O 3.39Å; F7-E28 HydrophobicContact CD2-CG 4.33Å; F7-E28 HydrophobicContact CE1-CB 3.97Å; F7-E28 HydrophobicContact CE2-CB 3.94Å; F7-E28 HydrophobicContact CE2-CG 3.67Å; F7-E28 HydrophobicContact CZ-CB 3.54Å; F7-E28 HydrophobicContact CZ-CG 3.83Å; F7-E28 CarbonylContact O-C 2.8Å; F7-Y29 VanDerWaalsContact O-CB 3.27Å; F7-Y29 WeakPolarHBondContact O-CB 3.49Å; F7-Y29 PolarHBondContact O-N 3.01Å; F7-L41 CarbonylContact C-O 3.5Å; F7-L41 WeakPolarHBondContact CA-O 3.38Å; F7-L41 HydrophobicContact CB-CB 4.18Å
8R94.9Very high84.6Confident34 Ų3459 Ų5913%0.12830%0.303CS..EExtended strand (participates in β ladder)trans-108.6116.2171.1-175.2171.7168.5160.9-8.1107.6Y29 D36 W39 L41 Y42 W43R8-Y29 HydrophobicContact CB-CD1 4.48Å; R8-Y29 HydrophobicContact CB-CG 4.23Å; R8-Y29 HydrophobicContact CG-CD1 4.04Å; R8-Y29 HydrophobicContact CG-CG 4.29Å; R8-D36 IonicContact CZ-OD1 3.64Å; R8-D36 PolarHBondContact NH1-O 3.43Å; R8-D36 VanDerWaalsContact NH1-O 3.15Å; R8-D36 IonicContact NH1-OD1 2.91Å; R8-D36 PolarHBondContact NH1-OD1 2.96Å; R8-D36 IonicContact NH2-OD1 3.42Å; R8-W39 HydrophobicContact CB-CB 4.4Å; R8-W39 HydrophobicContact CB-CG 4.42Å; R8-L41 PolarHBondContact N-O 3.39Å; R8-Y42 HydrophobicContact CB-CD2 4.03Å; R8-Y42 HydrophobicContact CB-CE2 4.34Å; R8-Y42 HydrophobicContact CB-CG 4.14Å; R8-Y42 HydrophobicContact CG-CD1 4.34Å; R8-Y42 HydrophobicContact CG-CD2 3.89Å; R8-Y42 HydrophobicContact CG-CE1 4.16Å; R8-Y42 HydrophobicContact CG-CE2 3.69Å; R8-Y42 HydrophobicContact CG-CG 4.2Å; R8-Y42 PolarHBondContact NE-OH 3.19Å; R8-Y42 PolarHBondContact NH2-OH 3.05Å; R8-Y42 WeakPolarHBondContact O-CA 3.44Å; R8-Y42 VanDerWaalsContact O-CD2 3.25Å; R8-Y42 WeakPolarHBondContact O-CD2 3.37Å; R8-W43 PolarHBondContact O-N 3.37Å
9L93.3Very high85.2Confident19 Ų1959.9 Ų59.910%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-100.8131.2174.3-168.760.9000108F7 R18 W43F7-L9 HydrophobicContact CD2-CB 4.33Å; F7-L9 HydrophobicContact CE2-CB 4.38Å; L9-R18 HydrophobicContact CD2-CB 4.04Å; L9-W43 HydrophobicContact CD1-CB 3.85Å; L9-W43 HydrophobicContact CD1-CG 4.1Å
10H86.6Confident85.8Confident77 Ų7757.1 Ų57.136%0.35629%0.291SS..PPolyproline II helixtrans-66.1152.9172.4-164.4-77.6000110.9R12 G13 Y42 W43 R44H10-R12 PolarHBondContact O-N 3.35Å; H10-G13 WeakPolarHBondContact O-CA 3.2Å; H10-G13 PolarHBondContact O-N 2.9Å; H10-Y42 HydrophobicContact CB-CE2 4.34Å; H10-W43 PolarHBondContact N-O 3.5Å; H10-R44 HydrophobicContact CB-CB 4.47Å; H10-R44 HydrophobicContact CB-CG 4.08Å
11D69.1Low86.3Confident131 Ų13154.4 Ų54.470%0.70128%0.278SS*.THydrogen-bonded Turntrans-53.2129.6170.6-57.6-41.7000109.8
12R73.7Confident88.6Confident177 Ų17747 Ų4767%0.66824%0.243SC*.THydrogen-bonded Turntrans69.319.2-167.9-51.1-175.3-72.6-177.6-9.3116.5H10 R45 E432H10-R12 PolarHBondContact O-N 3.35Å; R12-R45 PolarHBondContact O-NE 3Å; R12-R45 PolarHBondContact O-NH2 3.47Å; R12-E432 IonicContact NH1-OE1 4Å; R12-E432 PolarHBondContact NH1-OE1 3.36Å
13G82.6Confident90.3Very high16 Ų1650.3 Ų50.317%0.16525%0.248CC..  trans-62.4162.7170.100000113.7H10 Q15H10-G13 WeakPolarHBondContact O-CA 3.2Å; H10-G13 PolarHBondContact O-N 2.9Å; G13-Q15 PolarHBondContact O-N 3.22Å
14P91.3Very high91.4Very high12 Ų1252.3 Ų52.38%0.07825%0.247CC..  trans-73126-173.8-1430.1000112.3L16 V17 R18 L310P14-L16 VanDerWaalsContact C-N 3.3Å; P14-L16 PolarHBondContact O-N 3.12Å; P14-V17 HydrophobicContact CB-CG2 4.01Å; P14-V17 HydrophobicContact CG-CG2 4.18Å; P14-V17 WeakPolarHBondContact O-CB 3.39Å; P14-V17 PolarHBondContact O-N 3.17Å; P14-R18 PolarHBondContact O-N 3.07Å; P14-L310 HydrophobicContact CB-CB 4.07Å; P14-L310 HydrophobicContact CB-CD1 4.07Å; P14-L310 HydrophobicContact CG-CD1 4.09Å
15Q93.9Very high91.7Very high92 Ų9252.5 Ų52.543%0.4326%0.257SS..Hα-helixtrans-58.7-37.9-178.3176.559.12100113.1G13 V17 R18 E19G13-Q15 PolarHBondContact O-N 3.22Å; Q15-V17 PolarHBondContact O-N 3.46Å; Q15-R18 WeakPolarHBondContact O-CB 3.46Å; Q15-R18 PolarHBondContact O-N 3.39Å; Q15-R18 VanDerWaalsContact O-N 3.1Å; Q15-R18 VanDerWaalsContact OE1-NH1 3.13Å; Q15-E19 VanDerWaalsContact CG-OE1 3.23Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.46Å; Q15-E19 PolarHBondContact NE2-OE1 3.26Å; Q15-E19 PolarHBondContact O-N 2.98Å
16L95.8Very high91.8Very high7 Ų751.7 Ų51.74%0.03725%0.251CS..Hα-helixtrans-56.7-35.9173.9175.464.1000113.1P14 E19 V20 L310 L312 K321 K322 I325P14-L16 VanDerWaalsContact C-N 3.3Å; P14-L16 PolarHBondContact O-N 3.12Å; L16-E19 PolarHBondContact O-N 3.45Å; L16-V20 HydrophobicContact CD1-CG2 4.02Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 2.74Å; L16-L310 HydrophobicContact CD2-CB 4.43Å; L16-L312 HydrophobicContact CD1-CD1 4.47Å; L16-L312 HydrophobicContact CD2-CD2 4.19Å; L16-K321 HydrophobicContact CD2-CB 3.56Å; L16-K322 HydrophobicContact CD1-CB 4.18Å; L16-K322 HydrophobicContact CD1-CG 4.3Å; L16-I325 HydrophobicContact CD2-CG1 4.19Å
17V96.3Very high91.8Very high1 Ų156.7 Ų56.71%0.00627%0.273CS..Hα-helixtrans-69-40.6178.6175.90000110.2P14 Q15 L21 W43 L310 I325P14-V17 HydrophobicContact CB-CG2 4.01Å; P14-V17 HydrophobicContact CG-CG2 4.18Å; P14-V17 WeakPolarHBondContact O-CB 3.39Å; P14-V17 PolarHBondContact O-N 3.17Å; Q15-V17 PolarHBondContact O-N 3.46Å; V17-L21 HydrophobicContact CG1-CD1 3.73Å; V17-L21 HydrophobicContact CG1-CG 4.5Å; V17-L21 WeakPolarHBondContact O-CB 3.22Å; V17-L21 WeakPolarHBondContact O-CD1 3.48Å; V17-L21 WeakPolarHBondContact O-CG 3.34Å; V17-L21 PolarHBondContact O-N 3.33Å; V17-W43 HydrophobicContact CG1-CD2 3.85Å; V17-W43 HydrophobicContact CG1-CE3 3.87Å; V17-W43 HydrophobicContact CG1-CG 4.14Å; V17-W43 HydrophobicContact CG1-CZ3 4.41Å; V17-W43 HydrophobicContact CG2-CD2 4.26Å; V17-W43 HydrophobicContact CG2-CH2 4.31Å; V17-W43 HydrophobicContact CG2-CZ2 4.02Å; V17-L310 HydrophobicContact CG2-CD1 3.57Å; V17-I325 HydrophobicContact CG2-CD1 4.4Å; V17-I325 HydrophobicContact CG2-CG2 4.09Å
18R96.1Very high91.8Very high78 Ų7859.6 Ų59.629%0.29429%0.286SS..Hα-helixtrans-59.9-48.4172.5174.9-176.8-77.5140.2-6.4110.9F7 L9 P14 Q15 L21 L22 E28F7-R18 HydrophobicContact CE2-CB 4.42Å; F7-R18 HydrophobicContact CE2-CG 4.33Å; F7-R18 HydrophobicContact CZ-CG 4.12Å; L9-R18 HydrophobicContact CD2-CB 4.04Å; P14-R18 PolarHBondContact O-N 3.07Å; Q15-R18 WeakPolarHBondContact O-CB 3.46Å; Q15-R18 PolarHBondContact O-N 3.39Å; Q15-R18 VanDerWaalsContact O-N 3.1Å; Q15-R18 VanDerWaalsContact OE1-NH1 3.13Å; R18-L21 PolarHBondContact O-N 3.08Å; R18-L22 HydrophobicContact CG-CD1 3.65Å; R18-L22 HydrophobicContact CG-CG 4.26Å; R18-L22 WeakPolarHBondContact O-CB 3.35Å; R18-L22 VanDerWaalsContact O-CG 3.26Å; R18-L22 WeakPolarHBondContact O-CG 3.27Å; R18-L22 PolarHBondContact O-N 3.35Å; R18-E28 IonicContact CZ-OE1 2.69Å; R18-E28 IonicContact CZ-OE2 2.67Å; R18-E28 IonicContact NE-OE1 3.87Å; R18-E28 PolarHBondContact NE-OE1 3.48Å; R18-E28 IonicContact NE-OE2 3.66Å; R18-E28 PolarHBondContact NE-OE2 3.42Å; R18-E28 IonicContact NH2-OE1 2.98Å; R18-E28 PolarHBondContact NH2-OE1 3.4Å; R18-E28 IonicContact NH2-OE2 2.68Å
19E96.3Very high91.7Very high77 Ų7759.2 Ų59.236%0.3629%0.285SS..Hα-helixtrans-59.1-53.1-178.6-74.3163.3-174.900112Q15 L16 L21 L22 E23Q15-E19 VanDerWaalsContact CG-OE1 3.23Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.46Å; Q15-E19 PolarHBondContact NE2-OE1 3.26Å; Q15-E19 PolarHBondContact O-N 2.98Å; L16-E19 PolarHBondContact O-N 3.45Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 3.38Å; E19-L22 PolarHBondContact O-N 2.72Å; E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 WeakPolarHBondContact O-CG 3.36Å; E19-E23 PolarHBondContact O-N 3.41Å
20V96.9Very high91.5Very high3 Ų360.5 Ų60.52%0.01829%0.292CS..Hα-helixtrans-60.1-39.1179.5170.90000112.2L16 R24 K322 I325L16-V20 HydrophobicContact CD1-CG2 4.02Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 2.74Å; V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 WeakPolarHBondContact O-CD 3.41Å; V20-R24 VanDerWaalsContact O-CG 3.27Å; V20-R24 WeakPolarHBondContact O-CG 3.46Å; V20-R24 PolarHBondContact O-N 2.93Å; V20-K322 HydrophobicContact CG2-CG 4.03Å; V20-I325 HydrophobicContact CB-CG2 4.09Å; V20-I325 HydrophobicContact CG1-CG2 4.13Å; V20-I325 HydrophobicContact CG2-CB 4.45Å; V20-I325 HydrophobicContact CG2-CG2 4.22Å
21L96.8Very high91.4Very high1 Ų164 Ų641%0.00531%0.306CS..Hα-helixtrans-70.4-40.8178.7-68.8168.5000112F7 V17 R18 E19 R24 G25 W26 L41 V329F7-L21 HydrophobicContact CB-CD1 3.76Å; F7-L21 HydrophobicContact CD1-CB 3.74Å; F7-L21 HydrophobicContact CD1-CD1 3.99Å; F7-L21 HydrophobicContact CD1-CG 4.43Å; F7-L21 HydrophobicContact CD2-CD1 3.82Å; F7-L21 HydrophobicContact CE1-CB 3.77Å; F7-L21 HydrophobicContact CE2-CD1 4.41Å; F7-L21 HydrophobicContact CG-CB 4.23Å; F7-L21 HydrophobicContact CG-CD1 3.58Å; F7-L21 HydrophobicContact CG-CG 4.49Å; F7-L21 HydrophobicContact CZ-CB 4.3Å; V17-L21 HydrophobicContact CG1-CD1 3.73Å; V17-L21 HydrophobicContact CG1-CG 4.5Å; V17-L21 WeakPolarHBondContact O-CB 3.22Å; V17-L21 WeakPolarHBondContact O-CD1 3.48Å; V17-L21 WeakPolarHBondContact O-CG 3.34Å; V17-L21 PolarHBondContact O-N 3.33Å; R18-L21 PolarHBondContact O-N 3.08Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 3.38Å; L21-R24 CarbonylContact O-C 3.59Å; L21-R24 PolarHBondContact O-N 3.11Å; L21-G25 PolarHBondContact O-N 2.88Å; L21-W26 HydrophobicContact CB-CB 4.21Å; L21-W26 HydrophobicContact CB-CG 4.37Å; L21-W26 HydrophobicContact CD2-CD2 3.87Å; L21-W26 HydrophobicContact CD2-CE3 4.16Å; L21-W26 HydrophobicContact CD2-CG 4.18Å; L21-W26 HydrophobicContact CD2-CZ2 4.47Å; L21-W26 WeakPolarHBondContact O-CB 3.43Å; L21-W26 PolarHBondContact O-N 2.83Å; L21-L41 HydrophobicContact CD1-CD2 3.93Å; L21-L41 HydrophobicContact CD2-CD2 4.24Å; L21-V329 HydrophobicContact CD2-CG1 4.15Å; L21-V329 HydrophobicContact CD2-CG2 3.77Å
22L96.6Very high92.2Very high84 Ų8469 Ų6944%0.4432%0.315SS..Hα-helixtrans-66.1-41.6176-69.9173.9000112F7 R18 E19 R24 G25F7-L22 HydrophobicContact CE1-CD2 4.01Å; F7-L22 HydrophobicContact CE1-CG 4.26Å; F7-L22 HydrophobicContact CZ-CD2 4.14Å; F7-L22 HydrophobicContact CZ-CG 4.14Å; R18-L22 HydrophobicContact CG-CD1 3.65Å; R18-L22 HydrophobicContact CG-CG 4.26Å; R18-L22 WeakPolarHBondContact O-CB 3.35Å; R18-L22 VanDerWaalsContact O-CG 3.26Å; R18-L22 WeakPolarHBondContact O-CG 3.27Å; R18-L22 PolarHBondContact O-N 3.35Å; E19-L22 PolarHBondContact O-N 2.72Å; L22-R24 PolarHBondContact O-N 2.93Å; L22-G25 PolarHBondContact O-N 3.1Å
23E95.9Very high92.5Very high125 Ų12568.7 Ų68.758%0.58432%0.319SS*.Hα-helixtrans-59-33.6173.4-74176178.100112.1E19 G25 K322E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 WeakPolarHBondContact O-CG 3.36Å; E19-E23 PolarHBondContact O-N 3.41Å; E23-G25 PolarHBondContact O-N 3.43Å; E23-K322 IonicContact OE1-NZ 3.6Å; E23-K322 PolarHBondContact OE1-NZ 2.84Å; E23-K322 WeakPolarHBondContact OE2-CE 3.4Å; E23-K322 IonicContact OE2-NZ 3.21Å; E23-K322 PolarHBondContact OE2-NZ 3Å
24R93.4Very high92.3Very high82 Ų8271.2 Ų71.231%0.30932%0.323SS..THydrogen-bonded Turntrans-78.99173.8-71.5167.9164.1-101.6-9.6114.2V20 L21 L22 W26 S326 D330V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 WeakPolarHBondContact O-CD 3.41Å; V20-R24 VanDerWaalsContact O-CG 3.27Å; V20-R24 WeakPolarHBondContact O-CG 3.46Å; V20-R24 PolarHBondContact O-N 2.93Å; L21-R24 CarbonylContact O-C 3.59Å; L21-R24 PolarHBondContact O-N 3.11Å; L22-R24 PolarHBondContact O-N 2.93Å; R24-W26 VanDerWaalsContact C-N 3.27Å; R24-W26 PolarHBondContact O-N 3.37Å; R24-S326 PolarHBondContact NH2-O 3.03Å; R24-S326 VanDerWaalsContact NH2-O 3.11Å; R24-S326 PolarHBondContact NH2-OG 2.81Å; R24-D330 IonicContact CZ-OD1 3.38Å; R24-D330 IonicContact CZ-OD2 3.08Å; R24-D330 IonicContact NH1-OD1 3.64Å; R24-D330 PolarHBondContact NH1-OD1 3.28Å; R24-D330 IonicContact NH1-OD2 2.67Å; R24-D330 VanDerWaalsContact NH2-CG 3.28Å; R24-D330 IonicContact NH2-OD1 3.91Å; R24-D330 PolarHBondContact NH2-OD1 3.13Å; R24-D330 IonicContact NH2-OD2 3.34Å; R24-D330 PolarHBondContact NH2-OD2 2.88Å
25G94.3Very high91.9Very high50 Ų5075 Ų7552%0.51534%0.34SS..THydrogen-bonded Turntrans72.513.717900000115.1L21 L22 E23L21-G25 PolarHBondContact O-N 2.88Å; L22-G25 PolarHBondContact O-N 3.1Å; E23-G25 PolarHBondContact O-N 3.43Å
26W94.9Very high91.3Very high18 Ų1875.3 Ų75.37%0.06834%0.344CS..  trans-72158.1172.2-66.551.1000110.7L5 F7 L21 R24 N40 L41 V329 Y334L5-W26 HydrophobicContact CB-CD2 3.58Å; L5-W26 HydrophobicContact CB-CE3 3.6Å; L5-W26 HydrophobicContact CB-CG 4.19Å; L5-W26 HydrophobicContact CB-CH2 3.91Å; L5-W26 HydrophobicContact CB-CZ2 3.93Å; L5-W26 HydrophobicContact CB-CZ3 3.77Å; L5-W26 HydrophobicContact CD1-CD2 4.43Å; L5-W26 HydrophobicContact CD1-CH2 3.86Å; L5-W26 HydrophobicContact CD1-CZ2 3.38Å; L5-W26 HydrophobicContact CG-CH2 4.43Å; L5-W26 HydrophobicContact CG-CZ2 4.28Å; L5-W26 WeakPolarHBondContact O-CA 3.29Å; F7-W26 HydrophobicContact CB-CE3 4.05Å; F7-W26 HydrophobicContact CB-CZ3 4.46Å; F7-W26 HydrophobicContact CD1-CB 3.83Å; F7-W26 HydrophobicContact CD1-CE3 4.44Å; F7-W26 HydrophobicContact CE1-CB 4.21Å; L21-W26 HydrophobicContact CB-CB 4.21Å; L21-W26 HydrophobicContact CB-CG 4.37Å; L21-W26 HydrophobicContact CD2-CD2 3.87Å; L21-W26 HydrophobicContact CD2-CE3 4.16Å; L21-W26 HydrophobicContact CD2-CG 4.18Å; L21-W26 HydrophobicContact CD2-CZ2 4.47Å; L21-W26 WeakPolarHBondContact O-CB 3.43Å; L21-W26 PolarHBondContact O-N 2.83Å; R24-W26 VanDerWaalsContact C-N 3.27Å; R24-W26 PolarHBondContact O-N 3.37Å; W26-N40 HydrophobicContact CH2-CB 4.43Å; W26-N40 HydrophobicContact CZ3-CB 4.03Å; W26-L41 HydrophobicContact CH2-CB 4.38Å; W26-L41 HydrophobicContact CZ3-CB 3.84Å; W26-V329 HydrophobicContact CZ2-CG1 4.11Å; W26-Y334 HydrophobicContact CH2-CD1 4.12Å; W26-Y334 AromaticContact CH2-CD2 3.63Å; W26-Y334 HydrophobicContact CH2-CD2 3.63Å; W26-Y334 AromaticContact CH2-CE1 3.97Å; W26-Y334 HydrophobicContact CH2-CE1 3.97Å; W26-Y334 AromaticContact CH2-CE2 3.45Å; W26-Y334 HydrophobicContact CH2-CE2 3.45Å; W26-Y334 VanDerWaalsContact CH2-CE2 3.45Å; W26-Y334 AromaticContact CH2-CG 3.94Å; W26-Y334 HydrophobicContact CH2-CG 3.94Å; W26-Y334 AromaticContact CH2-CZ 3.62Å; W26-Y334 AromaticContact CZ2-CD2 3.71Å; W26-Y334 HydrophobicContact CZ2-CD2 3.71Å; W26-Y334 AromaticContact CZ2-CE2 3.94Å; W26-Y334 HydrophobicContact CZ2-CE2 3.94Å; W26-Y334 HydrophobicContact CZ2-CG 4.11Å
27K94.1Very high90.8Very high104 Ų10479.6 Ų79.645%0.45236%0.36SS..EExtended strand (participates in β ladder)trans-110.8132.5177.1-67.2178.3179.1160.60110.4S4 L5 V6 F7S4-K27 WeakPolarHBondContact OG-CE 3.48Å; S4-K27 PolarHBondContact OG-NZ 3.49Å; L5-K27 PolarHBondContact O-N 3.46Å; V6-K27 VanDerWaalsContact CA-O 3.24Å; V6-K27 WeakPolarHBondContact CA-O 3.43Å; V6-K27 HydrophobicContact CG2-CB 4.32Å; F7-K27 PolarHBondContact N-O 3.39Å
28E94.6Very high90.3Very high64 Ų6480.3 Ų80.330%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-66.8144.8172.3-166.3157.2-174.200110.4F7 R18 D30F7-E28 HydrophobicContact CD2-CG 4.33Å; F7-E28 HydrophobicContact CE1-CB 3.97Å; F7-E28 HydrophobicContact CE2-CB 3.94Å; F7-E28 HydrophobicContact CE2-CG 3.67Å; F7-E28 HydrophobicContact CZ-CB 3.54Å; F7-E28 HydrophobicContact CZ-CG 3.83Å; F7-E28 CarbonylContact O-C 2.8Å; R18-E28 IonicContact CZ-OE1 2.69Å; R18-E28 IonicContact CZ-OE2 2.67Å; R18-E28 IonicContact NE-OE1 3.87Å; R18-E28 PolarHBondContact NE-OE1 3.48Å; R18-E28 IonicContact NE-OE2 3.66Å; R18-E28 PolarHBondContact NE-OE2 3.42Å; R18-E28 IonicContact NH2-OE1 2.98Å; R18-E28 PolarHBondContact NH2-OE1 3.4Å; R18-E28 IonicContact NH2-OE2 2.68Å; E28-D30 PolarHBondContact O-N 3.29Å
29Y92.9Very high90.1Very high26 Ų2677.5 Ų77.510%0.10235%0.353CS..  trans-72.7121.1-178.1177.7-95.4000111.3V6 F7 R8 K31 R34 E35 D36 D38 W39V6-Y29 HydrophobicContact CG1-CD2 4.02Å; V6-Y29 HydrophobicContact CG1-CG 4.45Å; F7-Y29 VanDerWaalsContact O-CB 3.27Å; F7-Y29 WeakPolarHBondContact O-CB 3.49Å; F7-Y29 PolarHBondContact O-N 3.01Å; R8-Y29 HydrophobicContact CB-CD1 4.48Å; R8-Y29 HydrophobicContact CB-CG 4.23Å; R8-Y29 HydrophobicContact CG-CD1 4.04Å; R8-Y29 HydrophobicContact CG-CG 4.29Å; Y29-K31 HydrophobicContact CD1-CG 4.38Å; Y29-K31 HydrophobicContact CE1-CB 4.4Å; Y29-K31 HydrophobicContact CE1-CG 3.6Å; Y29-R34 HydrophobicContact CD2-CB 4.16Å; Y29-R34 HydrophobicContact CE2-CB 3.5Å; Y29-R34 HydrophobicContact CE2-CG 4.35Å; Y29-R34 PolarHBondContact OH-O 3.05Å; Y29-E35 WeakPolarHBondContact CE2-O 3.21Å; Y29-E35 PolarHBondContact OH-O 3.08Å; Y29-E35 VanDerWaalsContact OH-O 3.09Å; Y29-D36 VanDerWaalsContact OH-CA 3.24Å; Y29-D36 WeakPolarHBondContact OH-CA 3.46Å; Y29-D38 WeakPolarHBondContact CD2-O 3.4Å; Y29-W39 HydrophobicContact CD2-CB 4.18Å
30D88.9Confident90.1Very high46 Ų4673.9 Ų73.925%0.24634%0.336CS..  trans-112.8108.8179.3-178.2-11000110.2E28 R32 K33 R34E28-D30 PolarHBondContact O-N 3.29Å; D30-R32 PolarHBondContact O-N 3.19Å; D30-R32 WeakPolarHBondContact OD1-CB 3.22Å; D30-R32 PolarHBondContact OD1-N 3.43Å; D30-K33 HydrophobicContact CB-CB 4.29Å; D30-K33 HydrophobicContact CB-CD 4.45Å; D30-K33 HydrophobicContact CB-CG 4.46Å; D30-K33 PolarHBondContact O-N 2.94Å; D30-K33 VanDerWaalsContact OD2-CD 3.22Å; D30-K33 WeakPolarHBondContact OD2-CD 3.34Å; D30-K33 WeakPolarHBondContact OD2-CE 3.36Å; D30-K33 WeakPolarHBondContact OD2-CG 3.39Å; D30-K33 IonicContact OD2-NZ 2.68Å; D30-K33 PolarHBondContact OD2-NZ 3.36Å; D30-R34 PolarHBondContact O-N 3.45Å; D30-R34 VanDerWaalsContact O-N 3.11Å
31K85.4Confident90Very high150 Ų15073.7 Ų73.765%0.65234%0.335SS*.THydrogen-bonded Turntrans-54.7-21.9178-73.1177.9179.9175.90113.9Y29Y29-K31 HydrophobicContact CD1-CG 4.38Å; Y29-K31 HydrophobicContact CE1-CB 4.4Å; Y29-K31 HydrophobicContact CE1-CG 3.6Å
32R85.3Confident89.9Confident237 Ų23774.4 Ų74.489%0.89434%0.338SS*.THydrogen-bonded Turntrans-86-17.2179.9-58178.8178.9174.20.1113D30D30-R32 PolarHBondContact O-N 3.19Å; D30-R32 WeakPolarHBondContact OD1-CB 3.22Å; D30-R32 PolarHBondContact OD1-N 3.43Å
33K80.2Confident89.9Confident170 Ų17070.9 Ų70.974%0.73932%0.319SS*.THydrogen-bonded Turntrans-119.2-5.5-173.1-61.3-179.6-172.2126.60113.7D30D30-K33 HydrophobicContact CB-CB 4.29Å; D30-K33 HydrophobicContact CB-CD 4.45Å; D30-K33 HydrophobicContact CB-CG 4.46Å; D30-K33 PolarHBondContact O-N 2.94Å; D30-K33 VanDerWaalsContact OD2-CD 3.22Å; D30-K33 WeakPolarHBondContact OD2-CD 3.34Å; D30-K33 WeakPolarHBondContact OD2-CE 3.36Å; D30-K33 WeakPolarHBondContact OD2-CG 3.39Å; D30-K33 IonicContact OD2-NZ 2.68Å; D30-K33 PolarHBondContact OD2-NZ 3.36Å
34R79.4Confident89.7Confident68 Ų6866.1 Ų66.126%0.25730%0.296SS..SBendtrans-139.6149.7-171.3-64-170.5-177.9-70.5-6.9111.5V6 Y29 D30 D38V6-R34 VanDerWaalsContact CG2-CZ 3.48Å; Y29-R34 HydrophobicContact CD2-CB 4.16Å; Y29-R34 HydrophobicContact CE2-CB 3.5Å; Y29-R34 HydrophobicContact CE2-CG 4.35Å; Y29-R34 PolarHBondContact OH-O 3.05Å; D30-R34 PolarHBondContact O-N 3.45Å; D30-R34 VanDerWaalsContact O-N 3.11Å; R34-D38 HydrophobicContact CB-CB 4.2Å; R34-D38 VanDerWaalsContact CD-OD2 3.29Å; R34-D38 WeakPolarHBondContact CD-OD2 3.26Å; R34-D38 WeakPolarHBondContact CG-OD2 3.31Å; R34-D38 IonicContact CZ-OD2 2.69Å; R34-D38 IonicContact NE-OD2 2.7Å; R34-D38 IonicContact NH1-OD2 3.6Å; R34-D38 PolarHBondContact NH1-OD2 3.07Å
35E82Confident89.5Confident92 Ų9267.4 Ų67.443%0.4330%0.301SS..  trans-71.6149.4170.2-60.2178.8178.500109.6Y29 R37 D38 R349Y29-E35 WeakPolarHBondContact CE2-O 3.21Å; Y29-E35 PolarHBondContact OH-O 3.08Å; Y29-E35 VanDerWaalsContact OH-O 3.09Å; E35-R37 PolarHBondContact O-N 3.26Å; E35-D38 WeakPolarHBondContact O-CB 3.48Å; E35-D38 PolarHBondContact O-N 3.39Å; E35-R349 IonicContact OE1-NH1 3.66Å; E35-R349 PolarHBondContact OE1-NH1 2.96Å
36D82.1Confident89.2Confident98 Ų9868 Ų6852%0.52430%0.297SS..THydrogen-bonded Turntrans-55.3-24.6-168.2-17456.6000115.3R8 Y29 W39R8-D36 IonicContact CZ-OD1 3.64Å; R8-D36 PolarHBondContact NH1-O 3.43Å; R8-D36 VanDerWaalsContact NH1-O 3.15Å; R8-D36 IonicContact NH1-OD1 2.91Å; R8-D36 PolarHBondContact NH1-OD1 2.96Å; R8-D36 IonicContact NH2-OD1 3.42Å; Y29-D36 VanDerWaalsContact OH-CA 3.24Å; Y29-D36 WeakPolarHBondContact OH-CA 3.46Å; D36-W39 PolarHBondContact O-NE1 3.25Å; D36-W39 VanDerWaalsContact O-NE1 3.12Å
37R83.5Confident88.8Confident97 Ų9770.9 Ų70.937%0.36631%0.311SS..THydrogen-bonded Turntrans-101.6-1.4-179.5-59177.876.9-164.95113.7E35 W39 S55 L57 Q60 Y345E35-R37 PolarHBondContact O-N 3.26Å; R37-W39 PolarHBondContact O-N 2.9Å; R37-S55 PolarHBondContact NH2-O 3.16Å; R37-L57 HydrophobicContact CB-CD1 4.28Å; R37-Q60 PolarHBondContact O-NE2 2.94Å; R37-Y345 HydrophobicContact CB-CE1 4.48Å; R37-Y345 WeakPolarHBondContact CB-OH 3.5Å; R37-Y345 PolarHBondContact O-OH 3.45Å
38D87.6Confident88.8Confident16 Ų1666.5 Ų66.59%0.08629%0.292CS..  trans-77.366.4179.3179.843.6000112.3Y29 R34 E35 R341 Y345Y29-D38 WeakPolarHBondContact CD2-O 3.4Å; R34-D38 HydrophobicContact CB-CB 4.2Å; R34-D38 VanDerWaalsContact CD-OD2 3.29Å; R34-D38 WeakPolarHBondContact CD-OD2 3.26Å; R34-D38 WeakPolarHBondContact CG-OD2 3.31Å; R34-D38 IonicContact CZ-OD2 2.69Å; R34-D38 IonicContact NE-OD2 2.7Å; R34-D38 IonicContact NH1-OD2 3.6Å; R34-D38 PolarHBondContact NH1-OD2 3.07Å; E35-D38 WeakPolarHBondContact O-CB 3.48Å; E35-D38 PolarHBondContact O-N 3.39Å; D38-R341 WeakPolarHBondContact OD1-CD 3.42Å; D38-R341 IonicContact OD1-CZ 3.41Å; D38-R341 IonicContact OD1-NE 2.68Å; D38-R341 PolarHBondContact OD1-NE 2.92Å; D38-R341 IonicContact OD1-NH2 3.24Å; D38-Y345 HydrophobicContact CB-CE2 4.28Å
39W92.1Very high88.6Confident20 Ų2070 Ų708%0.07631%0.308CS..  trans-143.8162.1175.752.7-93.6000111V6 R8 Y29 D36 R37 Y42 L56 Q60 L62V6-W39 HydrophobicContact CG1-CB 4.07Å; R8-W39 HydrophobicContact CB-CB 4.4Å; R8-W39 HydrophobicContact CB-CG 4.42Å; Y29-W39 HydrophobicContact CD2-CB 4.18Å; D36-W39 PolarHBondContact O-NE1 3.25Å; D36-W39 VanDerWaalsContact O-NE1 3.12Å; R37-W39 PolarHBondContact O-N 2.9Å; W39-Y42 HydrophobicContact CH2-CD1 4.35Å; W39-Y42 HydrophobicContact CZ2-CD1 4.07Å; W39-L56 HydrophobicContact CH2-CD2 3.81Å; W39-Q60 HydrophobicContact CD2-CG 4.17Å; W39-Q60 VanDerWaalsContact CE2-NE2 3.33Å; W39-Q60 HydrophobicContact CE3-CB 4.16Å; W39-Q60 HydrophobicContact CE3-CG 3.77Å; W39-Q60 HydrophobicContact CH2-CB 3.89Å; W39-Q60 HydrophobicContact CH2-CG 3.9Å; W39-Q60 HydrophobicContact CZ2-CG 4.3Å; W39-Q60 HydrophobicContact CZ3-CB 3.57Å; W39-Q60 HydrophobicContact CZ3-CG 3.63Å; W39-Q60 WeakPolarHBondContact O-CG 3.35Å; W39-L62 HydrophobicContact CH2-CD2 3.78Å; W39-L62 HydrophobicContact CZ3-CD2 4.16Å
40N94.5Very high88.5Confident0 Ų073 Ų730%033%0.333CS..SBendtrans-110.3-43.5177.1-69.2104.3000111.7L5 V6 W26 W59 Q60 R61 Y334 D338 R341L5-N40 WeakPolarHBondContact CA-OD1 3.42Å; L5-N40 HydrophobicContact CD2-CB 4.32Å; V6-N40 PolarHBondContact N-OD1 3.19Å; V6-N40 VanDerWaalsContact N-OD1 3.13Å; V6-N40 WeakPolarHBondContact O-CA 3.3Å; V6-N40 WeakPolarHBondContact O-CB 3.48Å; V6-N40 PolarHBondContact O-N 2.92Å; W26-N40 HydrophobicContact CH2-CB 4.43Å; W26-N40 HydrophobicContact CZ3-CB 4.03Å; N40-W59 WeakPolarHBondContact CA-O 3.46Å; N40-W59 PolarHBondContact ND2-O 3.34Å; N40-W59 VanDerWaalsContact ND2-O 3.1Å; N40-Q60 CarbonylContact O-C 3.58Å; N40-Q60 VanDerWaalsContact O-CA 3.28Å; N40-Q60 WeakPolarHBondContact O-CA 3.11Å; N40-R61 PolarHBondContact O-N 3.38Å; N40-Y334 HydrophobicContact CB-CD1 4.48Å; N40-Y334 HydrophobicContact CB-CE1 3.96Å; N40-Y334 PolarHBondContact O-OH 2.85Å; N40-D338 PolarHBondContact ND2-O 2.81Å; N40-R341 PolarHBondContact OD1-NH1 3.18Å
41L95.8Very high88.6Confident0 Ų074.8 Ų74.80%035%0.349CS..EExtended strand (participates in β ladder)trans-116.2131.8175.5177.256.3000110.2V6 F7 R8 L21 W26 W43 R61 M332 Y334V6-L41 PolarHBondContact O-N 2.95Å; V6-L41 VanDerWaalsContact O-N 3.12Å; F7-L41 CarbonylContact C-O 3.5Å; F7-L41 WeakPolarHBondContact CA-O 3.38Å; F7-L41 HydrophobicContact CB-CB 4.18Å; R8-L41 PolarHBondContact N-O 3.39Å; L21-L41 HydrophobicContact CD1-CD2 3.93Å; L21-L41 HydrophobicContact CD2-CD2 4.24Å; W26-L41 HydrophobicContact CH2-CB 4.38Å; W26-L41 HydrophobicContact CZ3-CB 3.84Å; L41-W43 HydrophobicContact CD2-CE3 4.38Å; L41-R61 HydrophobicContact CD1-CB 4.5Å; L41-M332 HydrophobicContact CD1-CE 4.12Å; L41-M332 HydrophobicContact CD1-SD 3.86Å; L41-M332 HydrophobicContact CD2-CE 4.34Å; L41-M332 HydrophobicContact CD2-SD 4.41Å; L41-Y334 WeakPolarHBondContact CB-OH 3.44Å
42Y95.4Very high89Confident15 Ų1569.7 Ų69.76%0.05933%0.327CS..EExtended strand (participates in β ladder)trans-111.5114161.3-158.6159.9000109.1R8 H10 W39 R44 F48 R61 N63R8-Y42 HydrophobicContact CB-CD2 4.03Å; R8-Y42 HydrophobicContact CB-CE2 4.34Å; R8-Y42 HydrophobicContact CB-CG 4.14Å; R8-Y42 HydrophobicContact CG-CD1 4.34Å; R8-Y42 HydrophobicContact CG-CD2 3.89Å; R8-Y42 HydrophobicContact CG-CE1 4.16Å; R8-Y42 HydrophobicContact CG-CE2 3.69Å; R8-Y42 HydrophobicContact CG-CG 4.2Å; R8-Y42 PolarHBondContact NE-OH 3.19Å; R8-Y42 PolarHBondContact NH2-OH 3.05Å; R8-Y42 WeakPolarHBondContact O-CA 3.44Å; R8-Y42 VanDerWaalsContact O-CD2 3.25Å; R8-Y42 WeakPolarHBondContact O-CD2 3.37Å; H10-Y42 HydrophobicContact CB-CE2 4.34Å; W39-Y42 HydrophobicContact CH2-CD1 4.35Å; W39-Y42 HydrophobicContact CZ2-CD1 4.07Å; Y42-R44 HydrophobicContact CD2-CG 3.82Å; Y42-R44 HydrophobicContact CE2-CG 3.71Å; Y42-R44 VanDerWaalsContact CZ-NE 3.26Å; Y42-R44 PolarHBondContact OH-NH2 3.19Å; Y42-F48 HydrophobicContact CD1-CE1 4.24Å; Y42-F48 HydrophobicContact CD2-CE1 4.46Å; Y42-F48 HydrophobicContact CG-CE1 4.09Å; Y42-R61 PolarHBondContact N-O 2.86Å; Y42-N63 PolarHBondContact O-N 2.68Å; Y42-N63 PolarHBondContact O-OD1 2.84Å
43W95.4Very high89.3Confident11 Ų1159.5 Ų59.54%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-100.3125.8173.1-164.3-66.4000112R8 L9 H10 V17 L41 N63 L310 I325 L328 M332R8-W43 PolarHBondContact O-N 3.37Å; L9-W43 HydrophobicContact CD1-CB 3.85Å; L9-W43 HydrophobicContact CD1-CG 4.1Å; H10-W43 PolarHBondContact N-O 3.5Å; V17-W43 HydrophobicContact CG1-CD2 3.85Å; V17-W43 HydrophobicContact CG1-CE3 3.87Å; V17-W43 HydrophobicContact CG1-CG 4.14Å; V17-W43 HydrophobicContact CG1-CZ3 4.41Å; V17-W43 HydrophobicContact CG2-CD2 4.26Å; V17-W43 HydrophobicContact CG2-CH2 4.31Å; V17-W43 HydrophobicContact CG2-CZ2 4.02Å; L41-W43 HydrophobicContact CD2-CE3 4.38Å; W43-N63 VanDerWaalsContact CA-OD1 3.32Å; W43-N63 WeakPolarHBondContact CA-OD1 3.22Å; W43-N63 HydrophobicContact CD2-CB 3.88Å; W43-N63 HydrophobicContact CE3-CB 3.8Å; W43-N63 HydrophobicContact CG-CB 4.32Å; W43-N63 HydrophobicContact CZ3-CB 4.19Å; W43-L310 HydrophobicContact CZ2-CD1 4.16Å; W43-I325 HydrophobicContact CH2-CD1 4.09Å; W43-L328 HydrophobicContact CH2-CD2 3.61Å; W43-L328 HydrophobicContact CZ3-CD2 3.8Å; W43-M332 HydrophobicContact CZ3-CE 4.17Å
44R92.1Very high89.7Confident25 Ų2559.5 Ų59.59%0.09429%0.291CS..  trans-128176.8174.6-60.6-161176.3163.20.5111.2H10 Y42 F48 E52 N63 H64H10-R44 HydrophobicContact CB-CB 4.47Å; H10-R44 HydrophobicContact CB-CG 4.08Å; Y42-R44 HydrophobicContact CD2-CG 3.82Å; Y42-R44 HydrophobicContact CE2-CG 3.71Å; Y42-R44 VanDerWaalsContact CZ-NE 3.26Å; Y42-R44 PolarHBondContact OH-NH2 3.19Å; R44-F48 HydrophobicContact CB-CE1 4.31Å; R44-F48 HydrophobicContact CB-CE2 4.34Å; R44-F48 HydrophobicContact CB-CZ 3.88Å; R44-F48 HydrophobicContact CG-CD1 4.37Å; R44-F48 HydrophobicContact CG-CE1 3.5Å; R44-F48 HydrophobicContact CG-CE2 4.39Å; R44-F48 HydrophobicContact CG-CZ 3.51Å; R44-E52 IonicContact CZ-OE1 3.91Å; R44-E52 IonicContact CZ-OE2 3.24Å; R44-E52 VanDerWaalsContact NH1-CD 3.29Å; R44-E52 IonicContact NH1-OE1 2.78Å; R44-E52 PolarHBondContact NH1-OE1 3.33Å; R44-E52 IonicContact NH1-OE2 3.58Å; R44-E52 PolarHBondContact NH1-OE2 3.13Å; R44-E52 IonicContact NH2-OE1 2.72Å; R44-E52 PolarHBondContact NH2-OE1 3.12Å; R44-E52 IonicContact NH2-OE2 3.56Å; R44-N63 PolarHBondContact N-OD1 2.97Å; R44-N63 PolarHBondContact O-ND2 2.95Å; R44-N63 VanDerWaalsContact O-ND2 3.08Å; R44-H64 PolarHBondContact O-NE2 3.21Å
45R88.5Confident90.2Very high109 Ų10958.9 Ų58.941%0.41130%0.298SS..SBendtrans-109.1-29.1166.6-68.7-174.3-177.11674.6112.7R12R12-R45 PolarHBondContact O-NE 3Å; R12-R45 PolarHBondContact O-NH2 3.47Å
46S88.5Confident90.6Very high62 Ų6256.1 Ų56.143%0.43429%0.286SS..SBendtrans-85.8158.8175.660.20000110.6H64S46-H64 PolarHBondContact O-CD2 3.2Å
47E87.6Confident91Very high79 Ų7952.3 Ų52.337%0.36927%0.265SS..PPolyproline II helixtrans-59152.9168-58-171.6-178.500110.9A69E47-A69 WeakPolarHBondContact OE1-CB 3.34Å
48F92.4Very high91.3Very high11 Ų1152.2 Ų52.25%0.04828%0.277CS..PPolyproline II helixtrans-88.8154.2171.2-59.4-98.7000110.5Y42 R44 E52 Y53 L62 H64Y42-F48 HydrophobicContact CD1-CE1 4.24Å; Y42-F48 HydrophobicContact CD2-CE1 4.46Å; Y42-F48 HydrophobicContact CG-CE1 4.09Å; R44-F48 HydrophobicContact CB-CE1 4.31Å; R44-F48 HydrophobicContact CB-CE2 4.34Å; R44-F48 HydrophobicContact CB-CZ 3.88Å; R44-F48 HydrophobicContact CG-CD1 4.37Å; R44-F48 HydrophobicContact CG-CE1 3.5Å; R44-F48 HydrophobicContact CG-CE2 4.39Å; R44-F48 HydrophobicContact CG-CZ 3.51Å; F48-E52 WeakPolarHBondContact CA-OE2 3.31Å; F48-E52 HydrophobicContact CB-CB 4.12Å; F48-Y53 HydrophobicContact CB-CE1 4.12Å; F48-Y53 HydrophobicContact CB-CE2 3.93Å; F48-Y53 HydrophobicContact CD2-CE1 4.33Å; F48-Y53 PolarHBondContact N-OH 3.36Å; F48-Y53 WeakPolarHBondContact O-CE2 3.46Å; F48-L62 HydrophobicContact CB-CD1 4.26Å; F48-L62 HydrophobicContact CD1-CD1 3.95Å; F48-L62 HydrophobicContact CD1-CD2 4.07Å; F48-L62 HydrophobicContact CD2-CB 4.22Å; F48-L62 HydrophobicContact CD2-CD1 3.96Å; F48-L62 HydrophobicContact CE1-CD1 4.24Å; F48-L62 HydrophobicContact CE1-CD2 3.59Å; F48-L62 HydrophobicContact CE1-CG 4.33Å; F48-L62 HydrophobicContact CE2-CB 3.79Å; F48-L62 HydrophobicContact CE2-CD1 4.26Å; F48-L62 HydrophobicContact CE2-CD2 4.37Å; F48-L62 HydrophobicContact CE2-CG 4.36Å; F48-L62 HydrophobicContact CG-CD1 3.81Å; F48-L62 HydrophobicContact CZ-CB 3.97Å; F48-L62 HydrophobicContact CZ-CD1 4.4Å; F48-L62 HydrophobicContact CZ-CD2 3.77Å; F48-L62 HydrophobicContact CZ-CG 4.25Å; F48-H64 HydrophobicContact CD2-CB 4.04Å; F48-H64 HydrophobicContact CE2-CB 4.01Å; F48-H64 AromaticContact CE2-CD2 3.83Å
49H91.6Very high91.4Very high137 Ų13752.9 Ų52.963%0.63428%0.278SS*.PPolyproline II helixtrans-72.3153.7174-65.8-77.9000111.6S51 E52 Y53H49-S51 PolarHBondContact O-N 3.47Å; H49-S51 VanDerWaalsContact O-N 3.1Å; H49-E52 HydrophobicContact CB-CG 4.31Å; H49-E52 IonicContact CD2-OE2 2.69Å; H49-E52 PolarHBondContact N-OE2 2.91Å; H49-E52 WeakPolarHBondContact O-CB 3.39Å; H49-E52 PolarHBondContact O-N 2.95Å; H49-Y53 WeakPolarHBondContact O-CD2 3.3Å
50S90.4Very high91.4Very high90 Ų9052 Ų5263%0.62928%0.275SS*.Hα-helixtrans-48.1-41.7176.8-59.70000113.2E52 Y53 H54S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 3.42Å; S50-Y53 PolarHBondContact O-N 2.83Å; S50-H54 PolarHBondContact O-N 2.93Å; S50-H54 PolarHBondContact O-ND1 3.28Å
51S91.6Very high91.5Very high83 Ų8353.3 Ų53.358%0.5828%0.28SS*.Hα-helixtrans-63.8-29.6178.447.60000114H49 S55H49-S51 PolarHBondContact O-N 3.47Å; H49-S51 VanDerWaalsContact O-N 3.1Å; S51-S55 WeakPolarHBondContact O-CB 3.16Å; S51-S55 PolarHBondContact O-N 3.17Å; S51-S55 VanDerWaalsContact O-N 3.15Å; S51-S55 PolarHBondContact O-OG 3.17Å
52E92.8Very high91.5Very high43 Ų4353.4 Ų53.420%0.20128%0.281CS..Hα-helixtrans-72.9-39.7-179.4-60-174.494.800111.2R44 F48 H49 S50 S55 L56R44-E52 IonicContact CZ-OE1 3.91Å; R44-E52 IonicContact CZ-OE2 3.24Å; R44-E52 VanDerWaalsContact NH1-CD 3.29Å; R44-E52 IonicContact NH1-OE1 2.78Å; R44-E52 PolarHBondContact NH1-OE1 3.33Å; R44-E52 IonicContact NH1-OE2 3.58Å; R44-E52 PolarHBondContact NH1-OE2 3.13Å; R44-E52 IonicContact NH2-OE1 2.72Å; R44-E52 PolarHBondContact NH2-OE1 3.12Å; R44-E52 IonicContact NH2-OE2 3.56Å; F48-E52 WeakPolarHBondContact CA-OE2 3.31Å; F48-E52 HydrophobicContact CB-CB 4.12Å; H49-E52 HydrophobicContact CB-CG 4.31Å; H49-E52 IonicContact CD2-OE2 2.69Å; H49-E52 PolarHBondContact N-OE2 2.91Å; H49-E52 WeakPolarHBondContact O-CB 3.39Å; H49-E52 PolarHBondContact O-N 2.95Å; S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 3.42Å; E52-S55 PolarHBondContact O-N 3.43Å; E52-S55 PolarHBondContact O-OG 2.79Å; E52-L56 WeakPolarHBondContact O-CG 3.49Å
53Y92.7Very high91.5Very high24 Ų2453 Ų539%0.09428%0.279CS..Hα-helixtrans-62.7-43.9173.5-58.7-72.7000112F48 H49 S50 S55 L56 L62 P66F48-Y53 HydrophobicContact CB-CE1 4.12Å; F48-Y53 HydrophobicContact CB-CE2 3.93Å; F48-Y53 HydrophobicContact CD2-CE1 4.33Å; F48-Y53 PolarHBondContact N-OH 3.36Å; F48-Y53 WeakPolarHBondContact O-CE2 3.46Å; H49-Y53 WeakPolarHBondContact O-CD2 3.3Å; S50-Y53 PolarHBondContact O-N 2.83Å; Y53-S55 VanDerWaalsContact C-N 3.25Å; Y53-S55 PolarHBondContact O-N 3.16Å; Y53-L56 WeakPolarHBondContact O-CG 3.36Å; Y53-L56 PolarHBondContact O-N 2.92Å; Y53-L62 HydrophobicContact CD1-CD1 3.7Å; Y53-L62 HydrophobicContact CE1-CD1 3.88Å; Y53-P66 HydrophobicContact CD1-CG 4.42Å; Y53-P66 HydrophobicContact CD2-CB 4.11Å; Y53-P66 HydrophobicContact CD2-CG 4.47Å; Y53-P66 HydrophobicContact CE1-CB 4.37Å; Y53-P66 HydrophobicContact CE1-CG 4.35Å; Y53-P66 HydrophobicContact CE2-CB 3.7Å; Y53-P66 HydrophobicContact CE2-CG 4.38Å; Y53-P66 HydrophobicContact CG-CG 4.49Å
54H88.7Confident91.5Very high169 Ų16952.6 Ų52.678%0.78228%0.278SS*.Hα-helixtrans-71.5-17.9-179.5-68.284.9000113.6S50S50-H54 PolarHBondContact O-N 2.93Å; S50-H54 PolarHBondContact O-ND1 3.28Å
55S89.5Confident91.7Very high56 Ų5651.4 Ų51.439%0.39227%0.274SS..THydrogen-bonded Turntrans-10316.5-179.358.80000113.7R37 S51 E52 Y53R37-S55 PolarHBondContact NH2-O 3.16Å; S51-S55 WeakPolarHBondContact O-CB 3.16Å; S51-S55 PolarHBondContact O-N 3.17Å; S51-S55 VanDerWaalsContact O-N 3.15Å; S51-S55 PolarHBondContact O-OG 3.17Å; E52-S55 PolarHBondContact O-N 3.43Å; E52-S55 PolarHBondContact O-OG 2.79Å; Y53-S55 VanDerWaalsContact C-N 3.25Å; Y53-S55 PolarHBondContact O-N 3.16Å
56L91Very high92Very high34 Ų3446.9 Ų46.918%0.17826%0.258CS..  trans-70.4133.4172.8-65.4175000112.2W39 E52 Y53 Q60 L62 N282W39-L56 HydrophobicContact CH2-CD2 3.81Å; E52-L56 WeakPolarHBondContact O-CG 3.49Å; Y53-L56 WeakPolarHBondContact O-CG 3.36Å; Y53-L56 PolarHBondContact O-N 2.92Å; L56-Q60 HydrophobicContact CD2-CB 4.08Å; L56-L62 HydrophobicContact CD1-CD1 3.87Å; L56-L62 HydrophobicContact CD1-CG 3.84Å; L56-L62 HydrophobicContact CD2-CD1 3.92Å; L56-L62 HydrophobicContact CD2-CD2 3.77Å; L56-L62 HydrophobicContact CD2-CG 3.63Å; L56-L62 HydrophobicContact CG-CD1 4.26Å; L56-L62 HydrophobicContact CG-CG 4.31Å; L56-N282 HydrophobicContact CD1-CB 3.82Å
57L90.3Very high92.3Very high18 Ų1849.4 Ų49.49%0.09426%0.262CS..  trans-85.4158.8170.7-60.9170.6000110.4R37 W59 Q60 N282 Y345R37-L57 HydrophobicContact CB-CD1 4.28Å; L57-W59 HydrophobicContact CB-CD2 4.16Å; L57-W59 HydrophobicContact CB-CE3 4.47Å; L57-W59 HydrophobicContact CB-CH2 4.2Å; L57-W59 HydrophobicContact CB-CZ2 3.85Å; L57-W59 HydrophobicContact CB-CZ3 4.48Å; L57-W59 HydrophobicContact CD1-CH2 4.14Å; L57-W59 HydrophobicContact CD1-CZ2 3.48Å; L57-W59 VanDerWaalsContact CD1-CZ2 3.48Å; L57-W59 HydrophobicContact CG-CZ2 4.18Å; L57-W59 PolarHBondContact O-N 3.25Å; L57-Q60 HydrophobicContact CB-CG 4.14Å; L57-Q60 WeakPolarHBondContact O-CB 3.38Å; L57-Q60 PolarHBondContact O-N 3.28Å; L57-N282 PolarHBondContact O-ND2 2.76Å; L57-N282 VanDerWaalsContact O-ND2 3.11Å; L57-Y345 HydrophobicContact CD1-CE1 4.44Å; L57-Y345 WeakPolarHBondContact CD1-OH 3.5Å
58P88.6Confident92.7Very high95 Ų9545.7 Ų45.762%0.61724%0.244SC*.THydrogen-bonded Turntrans-56.8-26-173.7-2936.8000115.7R61P58-R61 PolarHBondContact O-NH1 3.05Å
59W89.8Confident92.8Very high29 Ų2946.2 Ų46.211%0.1125%0.25CS..THydrogen-bonded Turntrans-97.53179.458.580.2000114.8N40 L57 D338 R341 A344 Y345N40-W59 WeakPolarHBondContact CA-O 3.46Å; N40-W59 PolarHBondContact ND2-O 3.34Å; N40-W59 VanDerWaalsContact ND2-O 3.1Å; L57-W59 HydrophobicContact CB-CD2 4.16Å; L57-W59 HydrophobicContact CB-CE3 4.47Å; L57-W59 HydrophobicContact CB-CH2 4.2Å; L57-W59 HydrophobicContact CB-CZ2 3.85Å; L57-W59 HydrophobicContact CB-CZ3 4.48Å; L57-W59 HydrophobicContact CD1-CH2 4.14Å; L57-W59 HydrophobicContact CD1-CZ2 3.48Å; L57-W59 VanDerWaalsContact CD1-CZ2 3.48Å; L57-W59 HydrophobicContact CG-CZ2 4.18Å; L57-W59 PolarHBondContact O-N 3.25Å; W59-D338 VanDerWaalsContact CA-OD1 3.32Å; W59-D338 WeakPolarHBondContact CA-OD1 3.45Å; W59-D338 HydrophobicContact CB-CB 4.11Å; W59-R341 HydrophobicContact CD2-CB 3.82Å; W59-R341 HydrophobicContact CG-CB 3.88Å; W59-R341 HydrophobicContact CZ2-CB 4.2Å; W59-A344 HydrophobicContact CH2-CB 3.51Å; W59-A344 HydrophobicContact CZ2-CB 4.46Å; W59-A344 HydrophobicContact CZ3-CB 3.64Å; W59-Y345 HydrophobicContact CZ2-CD2 4.33Å; W59-Y345 AromaticContact CZ2-CE2 3.67Å; W59-Y345 HydrophobicContact CZ2-CE2 3.67Å; W59-Y345 AromaticContact CZ2-CZ 3.82Å
60Q93.4Very high93.1Very high2 Ų240.3 Ų40.31%0.00923%0.226CC..  trans-96.8144.1-180-74.7177-25.800110.8R37 W39 N40 L56 L57 N282R37-Q60 PolarHBondContact O-NE2 2.94Å; W39-Q60 HydrophobicContact CD2-CG 4.17Å; W39-Q60 VanDerWaalsContact CE2-NE2 3.33Å; W39-Q60 HydrophobicContact CE3-CB 4.16Å; W39-Q60 HydrophobicContact CE3-CG 3.77Å; W39-Q60 HydrophobicContact CH2-CB 3.89Å; W39-Q60 HydrophobicContact CH2-CG 3.9Å; W39-Q60 HydrophobicContact CZ2-CG 4.3Å; W39-Q60 HydrophobicContact CZ3-CB 3.57Å; W39-Q60 HydrophobicContact CZ3-CG 3.63Å; W39-Q60 WeakPolarHBondContact O-CG 3.35Å; N40-Q60 CarbonylContact O-C 3.58Å; N40-Q60 VanDerWaalsContact O-CA 3.28Å; N40-Q60 WeakPolarHBondContact O-CA 3.11Å; L56-Q60 HydrophobicContact CD2-CB 4.08Å; L57-Q60 HydrophobicContact CB-CG 4.14Å; L57-Q60 WeakPolarHBondContact O-CB 3.38Å; L57-Q60 PolarHBondContact O-N 3.28Å; Q60-N282 WeakPolarHBondContact O-CB 3.47Å; Q60-N282 PolarHBondContact O-ND2 3.03Å
61R94.7Very high93.4Very high28 Ų2836 Ų3611%0.10620%0.197CC..EExtended strand (participates in β ladder)trans-132.9148.3170.6-49.2-70.7177.4-90.9-7.3112.4N40 L41 Y42 P58 N282 Y334 D338N40-R61 PolarHBondContact O-N 3.38Å; L41-R61 HydrophobicContact CD1-CB 4.5Å; Y42-R61 PolarHBondContact N-O 2.86Å; P58-R61 PolarHBondContact O-NH1 3.05Å; R61-N282 CarbonylContact C-O 3.57Å; R61-N282 WeakPolarHBondContact CA-O 3.12Å; R61-N282 WeakPolarHBondContact CB-O 3.48Å; R61-N282 WeakPolarHBondContact CD-O 3.38Å; R61-N282 PolarHBondContact NH1-OD1 3.29Å; R61-Y334 VanDerWaalsContact CB-OH 3.28Å; R61-Y334 WeakPolarHBondContact CB-OH 3.44Å; R61-Y334 HydrophobicContact CG-CE1 3.79Å; R61-Y334 WeakPolarHBondContact CG-OH 3.35Å; R61-D338 IonicContact NH2-OD1 3.66Å; R61-D338 PolarHBondContact NH2-OD1 3.03Å
62L95.9Very high93.6Very high2 Ų233 Ų331%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-113.8146.4172.5-57.2-175000110.5W39 F48 Y53 L56 H64 N282 C283 V284W39-L62 HydrophobicContact CH2-CD2 3.78Å; W39-L62 HydrophobicContact CZ3-CD2 4.16Å; F48-L62 HydrophobicContact CB-CD1 4.26Å; F48-L62 HydrophobicContact CD1-CD1 3.95Å; F48-L62 HydrophobicContact CD1-CD2 4.07Å; F48-L62 HydrophobicContact CD2-CB 4.22Å; F48-L62 HydrophobicContact CD2-CD1 3.96Å; F48-L62 HydrophobicContact CE1-CD1 4.24Å; F48-L62 HydrophobicContact CE1-CD2 3.59Å; F48-L62 HydrophobicContact CE1-CG 4.33Å; F48-L62 HydrophobicContact CE2-CB 3.79Å; F48-L62 HydrophobicContact CE2-CD1 4.26Å; F48-L62 HydrophobicContact CE2-CD2 4.37Å; F48-L62 HydrophobicContact CE2-CG 4.36Å; F48-L62 HydrophobicContact CG-CD1 3.81Å; F48-L62 HydrophobicContact CZ-CB 3.97Å; F48-L62 HydrophobicContact CZ-CD1 4.4Å; F48-L62 HydrophobicContact CZ-CD2 3.77Å; F48-L62 HydrophobicContact CZ-CG 4.25Å; Y53-L62 HydrophobicContact CD1-CD1 3.7Å; Y53-L62 HydrophobicContact CE1-CD1 3.88Å; L56-L62 HydrophobicContact CD1-CD1 3.87Å; L56-L62 HydrophobicContact CD1-CG 3.84Å; L56-L62 HydrophobicContact CD2-CD1 3.92Å; L56-L62 HydrophobicContact CD2-CD2 3.77Å; L56-L62 HydrophobicContact CD2-CG 3.63Å; L56-L62 HydrophobicContact CG-CD1 4.26Å; L56-L62 HydrophobicContact CG-CG 4.31Å; L62-H64 VanDerWaalsContact C-N 3.29Å; L62-H64 PolarHBondContact O-N 2.79Å; L62-N282 PolarHBondContact N-O 3.5Å; L62-C283 WeakPolarHBondContact O-CA 3.36Å; L62-V284 PolarHBondContact O-N 3.38Å
63N95.8Very high93.8Very high6 Ų636.3 Ų36.33%0.03219%0.186CC..SBendtrans-87.312.8-17980-73.1000114.8Y42 W43 R44 V284Y42-N63 PolarHBondContact O-N 2.68Å; Y42-N63 PolarHBondContact O-OD1 2.84Å; W43-N63 VanDerWaalsContact CA-OD1 3.32Å; W43-N63 WeakPolarHBondContact CA-OD1 3.22Å; W43-N63 HydrophobicContact CD2-CB 3.88Å; W43-N63 HydrophobicContact CE3-CB 3.8Å; W43-N63 HydrophobicContact CG-CB 4.32Å; W43-N63 HydrophobicContact CZ3-CB 4.19Å; R44-N63 PolarHBondContact N-OD1 2.97Å; R44-N63 PolarHBondContact O-ND2 2.95Å; R44-N63 VanDerWaalsContact O-ND2 3.08Å; N63-V284 CarbonylContact C-O 3.23Å; N63-V284 WeakPolarHBondContact CA-O 3.36Å
64H96.2Very high93.9Very high2 Ų236.6 Ų36.61%0.00919%0.187CC..  trans-139.3148.5173.9-66.2-61.7000110.6R44 S46 F48 L62 C283 V284 E285 H306R44-H64 PolarHBondContact O-NE2 3.21Å; S46-H64 PolarHBondContact O-CD2 3.2Å; F48-H64 HydrophobicContact CD2-CB 4.04Å; F48-H64 HydrophobicContact CE2-CB 4.01Å; F48-H64 AromaticContact CE2-CD2 3.83Å; L62-H64 VanDerWaalsContact C-N 3.29Å; L62-H64 PolarHBondContact O-N 2.79Å; H64-C283 WeakPolarHBondContact O-CB 3.49Å; H64-C283 PolarHBondContact O-SG 2.75Å; H64-C283 VanDerWaalsContact O-SG 3.4Å; H64-V284 PolarHBondContact N-O 3.13Å; H64-E285 VanDerWaalsContact CA-OE2 3.24Å; H64-E285 WeakPolarHBondContact CA-OE2 3.36Å; H64-E285 IonicContact CE1-OE1 3.47Å; H64-E285 IonicContact CG-OE1 3.26Å; H64-E285 IonicContact CG-OE2 3.8Å; H64-E285 IonicContact ND1-OE1 3.58Å; H64-E285 PolarHBondContact ND1-OE1 2.95Å; H64-E285 IonicContact ND1-OE2 3.96Å; H64-H306 PolarHBondContact CE1-O 2.98Å
65H96Very high94.3Very high1 Ų129 Ų291%0.00515%0.153CC..  trans-94.8149.3165.7-83.5-82.2000110.1T68 F182 V277 C280 C283 E285H65-T68 HydrophobicContact CB-CG2 3.79Å; H65-T68 WeakPolarHBondContact O-CG2 3.26Å; H65-T68 PolarHBondContact O-OG1 3.35Å; H65-F182 HydrophobicContact CB-CD2 4.26Å; H65-F182 HydrophobicContact CB-CE2 3.87Å; H65-F182 AromaticContact CD2-CD2 3.95Å; H65-F182 AromaticContact CD2-CE2 3.77Å; H65-F182 AromaticContact CG-CD2 3.81Å; H65-F182 AromaticContact CG-CE2 3.74Å; H65-F182 AromaticContact ND1-CD2 3.85Å; H65-V277 HydrophobicContact CB-CG1 4.46Å; H65-C280 PolarHBondContact CE1-O 3.01Å; H65-C283 VanDerWaalsContact CE1-CB 3.49Å; H65-C283 WeakPolarHBondContact CE1-CB 3.45Å; H65-C283 WeakPolarHBondContact ND1-CB 3.3Å; H65-E285 HydrophobicContact CB-CB 4.48Å; H65-E285 PolarHBondContact N-OE2 3.04Å
66P95.3Very high94.6Very high14 Ų1427.5 Ų27.59%0.09114%0.142CC..THydrogen-bonded Turntrans-65.5151.1174.424.9-32.1000112.6Y53 T68 P278Y53-P66 HydrophobicContact CD1-CG 4.42Å; Y53-P66 HydrophobicContact CD2-CB 4.11Å; Y53-P66 HydrophobicContact CD2-CG 4.47Å; Y53-P66 HydrophobicContact CE1-CB 4.37Å; Y53-P66 HydrophobicContact CE1-CG 4.35Å; Y53-P66 HydrophobicContact CE2-CB 3.7Å; Y53-P66 HydrophobicContact CE2-CG 4.38Å; Y53-P66 HydrophobicContact CG-CG 4.49Å; P66-T68 PolarHBondContact O-N 3.48Å; P66-P278 HydrophobicContact CB-CG 4.3Å; P66-P278 HydrophobicContact CG-CG 3.53Å
67K94.7Very high95Very high115 Ų11526.4 Ų26.450%0.514%0.136SC..THydrogen-bonded Turntrans64.213.4175.3-54.5174-176.61770116A69 G70 S276K67-A69 PolarHBondContact O-N 2.91Å; K67-G70 PolarHBondContact O-N 2.87Å; K67-G70 VanDerWaalsContact O-N 3.08Å; K67-S276 WeakPolarHBondContact CD-O 3.38Å; K67-S276 WeakPolarHBondContact CE-O 3.25Å; K67-S276 PolarHBondContact NZ-O 2.93Å
68T95.6Very high95.3Very high0 Ų026 Ų260%013%0.134CC..THydrogen-bonded Turntrans-65.7-17.7176.554.50000113.3H65 P66 G70 I71 T72 F182 E285 F287H65-T68 HydrophobicContact CB-CG2 3.79Å; H65-T68 WeakPolarHBondContact O-CG2 3.26Å; H65-T68 PolarHBondContact O-OG1 3.35Å; P66-T68 PolarHBondContact O-N 3.48Å; T68-G70 PolarHBondContact O-N 3.11Å; T68-I71 PolarHBondContact O-N 3.01Å; T68-T72 PolarHBondContact O-N 3.27Å; T68-T72 PolarHBondContact O-OG1 3.15Å; T68-F182 HydrophobicContact CG2-CE2 4.48Å; T68-E285 HydrophobicContact CG2-CG 4.3Å; T68-E285 WeakPolarHBondContact CG2-OE2 3.19Å; T68-E285 PolarHBondContact OG1-OE2 2.79Å; T68-F287 HydrophobicContact CG2-CE1 4.3Å; T68-F287 HydrophobicContact CG2-CZ 3.75Å
69A94.9Very high95.8Very high22 Ų2226.8 Ų26.818%0.18213%0.125CC..Hα-helixtrans-40.7-29.816100000114.8E47 K67 I71 T72 R73 S76E47-A69 WeakPolarHBondContact OE1-CB 3.34Å; K67-A69 PolarHBondContact O-N 2.91Å; A69-I71 PolarHBondContact O-N 2.8Å; A69-T72 WeakPolarHBondContact CA-OG1 3.46Å; A69-T72 PolarHBondContact O-N 3.18Å; A69-R73 HydrophobicContact CB-CG 4.42Å; A69-R73 PolarHBondContact O-N 3.35Å; A69-R73 VanDerWaalsContact O-N 3.09Å; A69-S76 WeakPolarHBondContact O-CB 3.45Å
70G96.7Very high96.1Very high13 Ų1326.6 Ų26.613%0.13413%0.126CC..Hα-helixtrans-58.2-27.5177.200000114.9K67 T68 S76 L77 N80K67-G70 PolarHBondContact O-N 2.87Å; K67-G70 VanDerWaalsContact O-N 3.08Å; T68-G70 PolarHBondContact O-N 3.11Å; G70-S76 CarbonylContact O-C 3.57Å; G70-S76 VanDerWaalsContact O-C 3.23Å; G70-S76 WeakPolarHBondContact O-CB 3.25Å; G70-L77 PolarHBondContact O-N 3.03Å; G70-N80 PolarHBondContact O-ND2 3.04Å
71I97.6Very high96.4Very high0 Ų027 Ų270%013%0.128CC..Hα-helixtrans-115.1-14.7173.363.7179.6000113.8T68 A69 L77 T269 L270 I273 F287 V304T68-I71 PolarHBondContact O-N 3.01Å; A69-I71 PolarHBondContact O-N 2.8Å; I71-L77 HydrophobicContact CB-CD1 3.98Å; I71-L77 HydrophobicContact CG2-CD1 4.21Å; I71-T269 HydrophobicContact CB-CG2 4.15Å; I71-T269 HydrophobicContact CD1-CG2 4.34Å; I71-T269 HydrophobicContact CG2-CG2 3.92Å; I71-L270 HydrophobicContact CD1-CD2 3.78Å; I71-I273 HydrophobicContact CD1-CD1 3.8Å; I71-I273 HydrophobicContact CD1-CG1 4.44Å; I71-I273 HydrophobicContact CG1-CD1 3.91Å; I71-I273 HydrophobicContact CG2-CB 4.44Å; I71-I273 HydrophobicContact CG2-CD1 4.1Å; I71-I273 HydrophobicContact CG2-CG1 3.99Å; I71-I273 HydrophobicContact CG2-CG2 3.67Å; I71-F287 HydrophobicContact CD1-CE1 4.17Å; I71-F287 HydrophobicContact CD1-CE2 4.27Å; I71-F287 HydrophobicContact CD1-CZ 3.88Å; I71-F287 HydrophobicContact CG1-CE1 4.39Å; I71-F287 HydrophobicContact CG1-CZ 4.44Å; I71-V304 HydrophobicContact CD1-CG1 4.25Å; I71-V304 HydrophobicContact CG1-CG1 4.37Å
72T96.1Very high96.5Very high21 Ų2129.7 Ų29.713%0.12914%0.138CC..Hα-helixtrans-98.7-21.4-174.5670000114.5T68 A69 F287 V304 H306T68-T72 PolarHBondContact O-N 3.27Å; T68-T72 PolarHBondContact O-OG1 3.15Å; A69-T72 WeakPolarHBondContact CA-OG1 3.46Å; A69-T72 PolarHBondContact O-N 3.18Å; T72-F287 HydrophobicContact CG2-CD1 3.95Å; T72-F287 HydrophobicContact CG2-CE1 3.63Å; T72-V304 VanDerWaalsContact CA-O 3.32Å; T72-V304 WeakPolarHBondContact CA-O 3.39Å; T72-V304 WeakPolarHBondContact CB-O 3.44Å; T72-V304 HydrophobicContact CG2-CB 4.34Å; T72-V304 HydrophobicContact CG2-CG1 4.09Å; T72-H306 HydrophobicContact CG2-CB 3.87Å
73R95.6Very high96.5Very high112 Ų11235.2 Ų35.242%0.42316%0.159SC..SBendtrans-82.3134.4162.8-65.3-174.270.6-162.32.7109.7A69 D75 S76 L77 D132A69-R73 HydrophobicContact CB-CG 4.42Å; A69-R73 PolarHBondContact O-N 3.35Å; A69-R73 VanDerWaalsContact O-N 3.09Å; R73-D75 PolarHBondContact O-N 2.92Å; R73-S76 PolarHBondContact O-N 3.17Å; R73-L77 WeakPolarHBondContact O-CB 3.32Å; R73-L77 PolarHBondContact O-N 3.26Å; R73-D132 IonicContact CZ-OD1 3.67Å; R73-D132 IonicContact NE-OD1 3.14Å; R73-D132 IonicContact NH2-OD1 3.73Å; R73-D132 PolarHBondContact NH2-OD1 3.04Å
74K95.8Very high96.6Very high29 Ų2935.4 Ų35.413%0.12616%0.16CC..Hα-helixtrans-63.4-40.9-168.8-56.3-171.1-164.774.90113V78 K129 P130 V131 L133 V155K74-V78 WeakPolarHBondContact O-CG2 3.48Å; K74-V78 PolarHBondContact O-N 2.94Å; K74-V78 VanDerWaalsContact O-N 3.15Å; K74-K129 HydrophobicContact CD-CB 4.15Å; K74-K129 HydrophobicContact CD-CD 4.42Å; K74-P130 PolarHBondContact NZ-O 2.99Å; K74-V131 PolarHBondContact NZ-O 3.49Å; K74-L133 PolarHBondContact NZ-O 3.19Å; K74-V155 HydrophobicContact CB-CG2 3.86Å
75D96.3Very high96.6Very high11 Ų1139.2 Ų39.26%0.05918%0.176CC..Hα-helixtrans-71.2-42.5178.367.4-37.7000111.6R73 V78 R79 I101 V131 V155R73-D75 PolarHBondContact O-N 2.92Å; D75-V78 PolarHBondContact O-N 3.12Å; D75-R79 VanDerWaalsContact CG-NH1 3.26Å; D75-R79 WeakPolarHBondContact O-CG 3.12Å; D75-R79 PolarHBondContact O-N 3.26Å; D75-R79 IonicContact OD1-NH1 2.99Å; D75-R79 IonicContact OD2-CZ 3.91Å; D75-R79 IonicContact OD2-NH1 2.79Å; D75-R79 PolarHBondContact OD2-NH1 2.62Å; D75-R79 IonicContact OD2-NH2 2.63Å; D75-R79 PolarHBondContact OD2-NH2 2.76Å; D75-I101 HydrophobicContact CB-CD1 4.03Å; D75-I101 HydrophobicContact CB-CG1 4.24Å; D75-I101 HydrophobicContact CB-CG2 4.08Å; D75-V131 HydrophobicContact CB-CG1 4.14Å; D75-V131 HydrophobicContact CB-CG2 4.06Å; D75-V131 VanDerWaalsContact OD1-CG1 3.3Å; D75-V131 WeakPolarHBondContact OD1-CG1 3.46Å; D75-V155 HydrophobicContact CB-CG2 4.37Å
76S97.3Very high96.7Very high24 Ų2443.4 Ų43.417%0.16821%0.211CC..Hα-helixtrans-59.4-45.2172.7-66.80000112.5A69 G70 R73 V78 R79 N80A69-S76 WeakPolarHBondContact O-CB 3.45Å; G70-S76 CarbonylContact O-C 3.57Å; G70-S76 VanDerWaalsContact O-C 3.23Å; G70-S76 WeakPolarHBondContact O-CB 3.25Å; R73-S76 PolarHBondContact O-N 3.17Å; S76-V78 VanDerWaalsContact C-N 3.33Å; S76-V78 PolarHBondContact O-N 2.73Å; S76-R79 PolarHBondContact O-N 3.01Å; S76-N80 WeakPolarHBondContact O-CB 3.35Å; S76-N80 PolarHBondContact O-N 2.77Å; S76-N80 PolarHBondContact O-ND2 3.41Å
77L98.1Very high96.7Very high11 Ų1147.2 Ų47.26%0.05823%0.234CC..Hα-helixtrans-57.5-46174.7-179.862.7000111.1G70 I71 R73 N80 L81 T269 L301G70-L77 PolarHBondContact O-N 3.03Å; I71-L77 HydrophobicContact CB-CD1 3.98Å; I71-L77 HydrophobicContact CG2-CD1 4.21Å; R73-L77 WeakPolarHBondContact O-CB 3.32Å; R73-L77 PolarHBondContact O-N 3.26Å; L77-N80 PolarHBondContact O-N 2.92Å; L77-L81 HydrophobicContact CD1-CD1 3.72Å; L77-L81 HydrophobicContact CD1-CG 3.9Å; L77-L81 HydrophobicContact CG-CD1 3.88Å; L77-L81 HydrophobicContact CG-CG 4.37Å; L77-L81 WeakPolarHBondContact O-CB 3.03Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.36Å; L77-T269 HydrophobicContact CD1-CG2 3.9Å; L77-L301 HydrophobicContact CD1-CD2 4.32Å; L77-L301 HydrophobicContact CD2-CD2 4.35Å
78V97.6Very high96.7Very high8 Ų844.4 Ų44.45%0.04822%0.222CC..Hα-helixtrans-61.7-46177.4169.40000111.5K74 D75 S76 R82 T99 I101 V155K74-V78 WeakPolarHBondContact O-CG2 3.48Å; K74-V78 PolarHBondContact O-N 2.94Å; K74-V78 VanDerWaalsContact O-N 3.15Å; D75-V78 PolarHBondContact O-N 3.12Å; S76-V78 VanDerWaalsContact C-N 3.33Å; S76-V78 PolarHBondContact O-N 2.73Å; V78-R82 HydrophobicContact CG1-CG 4.49Å; V78-R82 VanDerWaalsContact O-CB 3.28Å; V78-R82 WeakPolarHBondContact O-CB 3.17Å; V78-R82 WeakPolarHBondContact O-CD 3.41Å; V78-R82 WeakPolarHBondContact O-CG 3.4Å; V78-R82 PolarHBondContact O-N 2.82Å; V78-T99 HydrophobicContact CB-CG2 4.42Å; V78-T99 HydrophobicContact CG1-CG2 4.1Å; V78-T99 HydrophobicContact CG2-CG2 3.42Å; V78-T99 VanDerWaalsContact CG2-CG2 3.42Å; V78-I101 HydrophobicContact CB-CD1 4.23Å; V78-I101 HydrophobicContact CB-CG1 4.46Å; V78-I101 HydrophobicContact CG1-CD1 3.97Å; V78-I101 HydrophobicContact CG1-CG1 4.09Å; V78-V155 HydrophobicContact CG2-CG1 4.31Å
79R97.8Very high96.7Very high113 Ų11345.9 Ų45.943%0.42624%0.237SC..Hα-helixtrans-62.2-47.3177.2-66.7-177.3-157.997.81.3111.7D75 S76 R82 R83 I101D75-R79 VanDerWaalsContact CG-NH1 3.26Å; D75-R79 WeakPolarHBondContact O-CG 3.12Å; D75-R79 PolarHBondContact O-N 3.26Å; D75-R79 IonicContact OD1-NH1 2.99Å; D75-R79 IonicContact OD2-CZ 3.91Å; D75-R79 IonicContact OD2-NH1 2.79Å; D75-R79 PolarHBondContact OD2-NH1 2.62Å; D75-R79 IonicContact OD2-NH2 2.63Å; D75-R79 PolarHBondContact OD2-NH2 2.76Å; S76-R79 PolarHBondContact O-N 3.01Å; R79-R82 PolarHBondContact O-N 3.34Å; R79-R83 PolarHBondContact O-N 3.32Å; R79-I101 HydrophobicContact CG-CD1 3.72Å
80N98Very high96.5Very high24 Ų2447.6 Ų47.613%0.12825%0.248CC..Hα-helixtrans-65.8-47.2-179.3-79.5-46.6000112.1G70 S76 L77 R82 R83 M84G70-N80 PolarHBondContact O-ND2 3.04Å; S76-N80 WeakPolarHBondContact O-CB 3.35Å; S76-N80 PolarHBondContact O-N 2.77Å; S76-N80 PolarHBondContact O-ND2 3.41Å; L77-N80 PolarHBondContact O-N 2.92Å; N80-R82 PolarHBondContact O-N 3.23Å; N80-R83 WeakPolarHBondContact O-CB 3.3Å; N80-R83 PolarHBondContact O-N 2.79Å; N80-R83 PolarHBondContact OD1-NH1 2.94Å; N80-R83 PolarHBondContact OD1-NH2 3.43Å; N80-M84 WeakPolarHBondContact O-CG 3.41Å; N80-M84 PolarHBondContact O-N 3.17Å
81L97.9Very high96.3Very high10 Ų1051.7 Ų51.75%0.05228%0.281CS..Hα-helixtrans-64.1-38177.4-68.7178.5000112.5L77 M84 K85 Y93 F95 L301L77-L81 HydrophobicContact CD1-CD1 3.72Å; L77-L81 HydrophobicContact CD1-CG 3.9Å; L77-L81 HydrophobicContact CG-CD1 3.88Å; L77-L81 HydrophobicContact CG-CG 4.37Å; L77-L81 WeakPolarHBondContact O-CB 3.03Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.36Å; L81-M84 PolarHBondContact O-N 2.93Å; L81-K85 VanDerWaalsContact O-CB 3.27Å; L81-K85 WeakPolarHBondContact O-CB 3.49Å; L81-K85 PolarHBondContact O-N 3.03Å; L81-Y93 HydrophobicContact CD2-CD1 4.26Å; L81-Y93 HydrophobicContact CD2-CE1 4.41Å; L81-F95 HydrophobicContact CD1-CE2 4.38Å; L81-F95 HydrophobicContact CD2-CE2 3.96Å; L81-F95 HydrophobicContact CD2-CZ 3.9Å; L81-L301 HydrophobicContact CD1-CD2 4.13Å
82R96.9Very high96.1Very high85 Ų8553.5 Ų53.532%0.32129%0.29SS..Hα-helixtrans-63.5-42.3173-77.1168169.4-178.8-10.6112.2V78 R79 N80 K85 A86 T99 E105V78-R82 HydrophobicContact CG1-CG 4.49Å; V78-R82 VanDerWaalsContact O-CB 3.28Å; V78-R82 WeakPolarHBondContact O-CB 3.17Å; V78-R82 WeakPolarHBondContact O-CD 3.41Å; V78-R82 WeakPolarHBondContact O-CG 3.4Å; V78-R82 PolarHBondContact O-N 2.82Å; R79-R82 PolarHBondContact O-N 3.34Å; N80-R82 PolarHBondContact O-N 3.23Å; R82-K85 PolarHBondContact O-N 3.08Å; R82-A86 PolarHBondContact O-N 3.01Å; R82-T99 PolarHBondContact NH2-O 2.81Å; R82-E105 IonicContact CZ-OE1 3.36Å; R82-E105 IonicContact CZ-OE2 3.61Å; R82-E105 VanDerWaalsContact NH1-CD 3.28Å; R82-E105 IonicContact NH1-OE1 2.71Å; R82-E105 PolarHBondContact NH1-OE1 3.39Å; R82-E105 IonicContact NH1-OE2 3.6Å; R82-E105 PolarHBondContact NH1-OE2 2.79Å; R82-E105 VanDerWaalsContact NH1-OE2 3.08Å; R82-E105 IonicContact NH2-OE1 3.01Å; R82-E105 IonicContact NH2-OE2 3.06Å; R82-E105 PolarHBondContact NH2-OE2 2.72Å
83R97.1Very high96.1Very high119 Ų11952.8 Ų52.845%0.44929%0.285SS..Hα-helixtrans-58.1-51.1175.1-172.1-171.469.3-127.6-10.9110.4R79 N80 K85 A86 T87 S272R79-R83 PolarHBondContact O-N 3.32Å; N80-R83 WeakPolarHBondContact O-CB 3.3Å; N80-R83 PolarHBondContact O-N 2.79Å; N80-R83 PolarHBondContact OD1-NH1 2.94Å; N80-R83 PolarHBondContact OD1-NH2 3.43Å; R83-K85 VanDerWaalsContact C-N 3.31Å; R83-K85 PolarHBondContact O-N 2.84Å; R83-A86 PolarHBondContact O-N 2.81Å; R83-A86 VanDerWaalsContact O-N 3.13Å; R83-T87 PolarHBondContact O-N 2.55Å; R83-T87 PolarHBondContact O-OG1 2.77Å; R83-S272 PolarHBondContact NH2-O 3.13Å
84M96.9Very high96.1Very high9 Ų951.1 Ų51.14%0.04428%0.284CS..Hα-helixtrans-62.4-37.9178.4-58.3-60-79.100112.2N80 L81 A86 T87 F88 Y93 L271 V515N80-M84 WeakPolarHBondContact O-CG 3.41Å; N80-M84 PolarHBondContact O-N 3.17Å; L81-M84 PolarHBondContact O-N 2.93Å; M84-A86 VanDerWaalsContact C-N 3.34Å; M84-A86 PolarHBondContact O-N 2.91Å; M84-T87 PolarHBondContact O-N 2.94Å; M84-F88 HydrophobicContact CB-CD2 4.38Å; M84-F88 HydrophobicContact CE-CD2 3.91Å; M84-F88 HydrophobicContact CE-CE2 3.52Å; M84-F88 WeakPolarHBondContact O-CB 3.45Å; M84-F88 WeakPolarHBondContact O-CD2 3.34Å; M84-F88 PolarHBondContact O-N 3.25Å; M84-F88 HydrophobicContact SD-CD2 4.41Å; M84-F88 HydrophobicContact SD-CE2 4Å; M84-Y93 HydrophobicContact CB-CD1 3.84Å; M84-Y93 HydrophobicContact CB-CD2 4.2Å; M84-Y93 HydrophobicContact CB-CE1 3.43Å; M84-Y93 VanDerWaalsContact CB-CE1 3.43Å; M84-Y93 HydrophobicContact CB-CE2 3.85Å; M84-Y93 HydrophobicContact CB-CG 4.21Å; M84-Y93 VanDerWaalsContact CB-CZ 3.45Å; M84-Y93 WeakPolarHBondContact CE-OH 3.46Å; M84-Y93 HydrophobicContact CG-CE1 4.1Å; M84-L271 HydrophobicContact CE-CB 4.31Å; M84-V515 HydrophobicContact CE-CG1 4.29Å
85K97Very high96.2Very high83 Ų8350.3 Ų50.336%0.36128%0.281SS..Hα-helixtrans-63.6-35.4174.1-173178-179.4178.90113.2L81 R82 R83 G89 S90 Y93L81-K85 VanDerWaalsContact O-CB 3.27Å; L81-K85 WeakPolarHBondContact O-CB 3.49Å; L81-K85 PolarHBondContact O-N 3.03Å; R82-K85 PolarHBondContact O-N 3.08Å; R83-K85 VanDerWaalsContact C-N 3.31Å; R83-K85 PolarHBondContact O-N 2.84Å; K85-G89 CarbonylContact O-C 3.53Å; K85-G89 WeakPolarHBondContact O-CA 3.4Å; K85-G89 PolarHBondContact O-N 3.33Å; K85-S90 WeakPolarHBondContact CE-OG 3.49Å; K85-S90 PolarHBondContact NZ-OG 2.84Å; K85-Y93 HydrophobicContact CB-CG 4.39Å
86A96.9Very high96.2Very high88 Ų8851 Ų5173%0.72729%0.287SS*.Hα-helixtrans-72-39.2175.700000111.8R82 R83 M84R82-A86 PolarHBondContact O-N 3.01Å; R83-A86 PolarHBondContact O-N 2.81Å; R83-A86 VanDerWaalsContact O-N 3.13Å; M84-A86 VanDerWaalsContact C-N 3.34Å; M84-A86 PolarHBondContact O-N 2.91Å
87T96.2Very high96.1Very high94 Ų9450.3 Ų50.358%0.57728%0.281SS*.Hα-helixtrans-76.1-41.8179.9-52.60000113.5R83 M84R83-T87 PolarHBondContact O-N 2.55Å; R83-T87 PolarHBondContact O-OG1 2.77Å; M84-T87 PolarHBondContact O-N 2.94Å
88F95.2Very high96Very high57 Ų5752.1 Ų52.125%0.2529%0.293CS..Hα-helixtrans-114.26.6-170.8-56-70.7000113.8M84 L92 Y93 V515 L519M84-F88 HydrophobicContact CB-CD2 4.38Å; M84-F88 HydrophobicContact CE-CD2 3.91Å; M84-F88 HydrophobicContact CE-CE2 3.52Å; M84-F88 WeakPolarHBondContact O-CB 3.45Å; M84-F88 WeakPolarHBondContact O-CD2 3.34Å; M84-F88 PolarHBondContact O-N 3.25Å; M84-F88 HydrophobicContact SD-CD2 4.41Å; M84-F88 HydrophobicContact SD-CE2 4Å; F88-L92 HydrophobicContact CB-CD1 4.37Å; F88-Y93 HydrophobicContact CB-CD2 4.28Å; F88-Y93 HydrophobicContact CB-CE2 3.95Å; F88-Y93 HydrophobicContact CD2-CE2 4.21Å; F88-Y93 HydrophobicContact CG-CE2 4.47Å; F88-V515 HydrophobicContact CD2-CG1 4.44Å; F88-V515 HydrophobicContact CE1-CB 4.33Å; F88-V515 HydrophobicContact CE1-CG1 3.88Å; F88-V515 HydrophobicContact CE2-CG1 3.77Å; F88-V515 HydrophobicContact CZ-CB 3.85Å; F88-V515 HydrophobicContact CZ-CG1 3.44Å; F88-V515 VanDerWaalsContact CZ-CG1 3.44Å; F88-L519 HydrophobicContact CB-CD1 3.84Å; F88-L519 HydrophobicContact CD1-CD1 3.31Å; F88-L519 HydrophobicContact CD2-CD1 4.25Å; F88-L519 HydrophobicContact CE1-CD1 3.87Å; F88-L519 HydrophobicContact CG-CD1 3.53Å
89G94.5Very high96Very high31 Ų3152.1 Ų52.132%0.3229%0.293SS..  trans82.5164.1172.800000115.7K85 A91K85-G89 CarbonylContact O-C 3.53Å; K85-G89 WeakPolarHBondContact O-CA 3.4Å; K85-G89 PolarHBondContact O-N 3.33Å; G89-A91 VanDerWaalsContact C-N 3.33Å; G89-A91 PolarHBondContact O-N 2.58Å
90S92.1Very high96Very high57 Ų5747.7 Ų47.740%0.39928%0.277SS..THydrogen-bonded Turntrans-74.6-17.1-176.6-168.20000114.2K85 L92 N94K85-S90 WeakPolarHBondContact CE-OG 3.49Å; K85-S90 PolarHBondContact NZ-OG 2.84Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 2.8Å; S90-N94 WeakPolarHBondContact O-CB 3.47Å; S90-N94 PolarHBondContact O-N 2.8Å
91A91.8Very high96Very high100 Ų10046.8 Ų46.883%0.82627%0.272SS*.THydrogen-bonded Turntrans-63.3-41.7179.900000111.7G89G89-A91 VanDerWaalsContact C-N 3.33Å; G89-A91 PolarHBondContact O-N 2.58Å
92L92.4Very high96Very high37 Ų3746.3 Ų46.319%0.19427%0.269CS..THydrogen-bonded Turntrans-82.1-44.3-179.5-68.9167.3000112.5F88 S90 N94 F95 L519 Q523F88-L92 HydrophobicContact CB-CD1 4.37Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 2.8Å; L92-N94 PolarHBondContact O-N 2.78Å; L92-F95 VanDerWaalsContact O-CD1 3.28Å; L92-F95 WeakPolarHBondContact O-CD1 3.47Å; L92-L519 HydrophobicContact CD1-CB 4.34Å; L92-L519 HydrophobicContact CD1-CD1 3.92Å; L92-L519 HydrophobicContact CD1-CD2 4.09Å; L92-L519 HydrophobicContact CD1-CG 4.34Å; L92-Q523 HydrophobicContact CD2-CG 4.05Å
93Y96.1Very high96Very high7 Ų745.6 Ų45.63%0.02728%0.276CS..SBendtrans-96.821.6-172.2-72.2-90.2000114.8L81 M84 K85 F88 F95 L268L81-Y93 HydrophobicContact CD2-CD1 4.26Å; L81-Y93 HydrophobicContact CD2-CE1 4.41Å; M84-Y93 HydrophobicContact CB-CD1 3.84Å; M84-Y93 HydrophobicContact CB-CD2 4.2Å; M84-Y93 HydrophobicContact CB-CE1 3.43Å; M84-Y93 VanDerWaalsContact CB-CE1 3.43Å; M84-Y93 HydrophobicContact CB-CE2 3.85Å; M84-Y93 HydrophobicContact CB-CG 4.21Å; M84-Y93 VanDerWaalsContact CB-CZ 3.45Å; M84-Y93 WeakPolarHBondContact CE-OH 3.46Å; M84-Y93 HydrophobicContact CG-CE1 4.1Å; K85-Y93 HydrophobicContact CB-CG 4.39Å; F88-Y93 HydrophobicContact CB-CD2 4.28Å; F88-Y93 HydrophobicContact CB-CE2 3.95Å; F88-Y93 HydrophobicContact CD2-CE2 4.21Å; F88-Y93 HydrophobicContact CG-CE2 4.47Å; Y93-F95 AromaticContact CD1-CE1 3.65Å; Y93-F95 HydrophobicContact CD1-CE1 3.65Å; Y93-F95 AromaticContact CD1-CZ 3.72Å; Y93-F95 HydrophobicContact CD1-CZ 3.72Å; Y93-F95 HydrophobicContact CE1-CE1 4.16Å; Y93-F95 HydrophobicContact CE1-CZ 4.07Å; Y93-F95 HydrophobicContact CG-CE1 4.2Å; Y93-F95 PolarHBondContact O-N 3.42Å; Y93-L268 HydrophobicContact CE1-CB 3.85Å; Y93-L268 HydrophobicContact CE2-CD2 4.2Å; Y93-L268 PolarHBondContact OH-O 2.87Å
94N95.6Very high96Very high76 Ų7646.6 Ų46.641%0.40629%0.29SS..THydrogen-bonded Turntrans-86.447172.3-177.524.6000112.4S90 L92 K298S90-N94 WeakPolarHBondContact O-CB 3.47Å; S90-N94 PolarHBondContact O-N 2.8Å; L92-N94 PolarHBondContact O-N 2.78Å; N94-K298 PolarHBondContact ND2-NZ 3.09Å; N94-K298 WeakPolarHBondContact O-CE 3.43Å; N94-K298 PolarHBondContact O-NZ 3.2Å; N94-K298 PolarHBondContact OD1-NZ 2.78Å
95F97.6Very high96.1Very high12 Ų1248.2 Ų48.25%0.05330%0.298CS..THydrogen-bonded Turntrans-119.6-2.717560.4-102.2000113.8L81 L92 Y93 I265 L268 W300 L301L81-F95 HydrophobicContact CD1-CE2 4.38Å; L81-F95 HydrophobicContact CD2-CE2 3.96Å; L81-F95 HydrophobicContact CD2-CZ 3.9Å; L92-F95 VanDerWaalsContact O-CD1 3.28Å; L92-F95 WeakPolarHBondContact O-CD1 3.47Å; Y93-F95 AromaticContact CD1-CE1 3.65Å; Y93-F95 HydrophobicContact CD1-CE1 3.65Å; Y93-F95 AromaticContact CD1-CZ 3.72Å; Y93-F95 HydrophobicContact CD1-CZ 3.72Å; Y93-F95 HydrophobicContact CE1-CE1 4.16Å; Y93-F95 HydrophobicContact CE1-CZ 4.07Å; Y93-F95 HydrophobicContact CG-CE1 4.2Å; Y93-F95 PolarHBondContact O-N 3.42Å; F95-I265 HydrophobicContact CB-CD1 3.85Å; F95-I265 HydrophobicContact CB-CG1 3.67Å; F95-I265 HydrophobicContact CD1-CG1 4.25Å; F95-I265 HydrophobicContact CD2-CB 4.32Å; F95-I265 HydrophobicContact CD2-CG1 3.88Å; F95-I265 HydrophobicContact CD2-CG2 3.89Å; F95-I265 HydrophobicContact CE2-CG2 4.11Å; F95-I265 HydrophobicContact CG-CD1 4.36Å; F95-I265 HydrophobicContact CG-CG1 3.69Å; F95-L268 HydrophobicContact CD1-CD1 4.3Å; F95-L268 HydrophobicContact CE1-CB 3.78Å; F95-L268 HydrophobicContact CE1-CD1 3.7Å; F95-L268 HydrophobicContact CE1-CG 4.39Å; F95-L268 HydrophobicContact CZ-CB 3.83Å; F95-W300 CarbonylContact O-C 3.58Å; F95-W300 VanDerWaalsContact O-CA 3.26Å; F95-W300 WeakPolarHBondContact O-CA 3.36Å; F95-L301 HydrophobicContact CD2-CB 4.03Å; F95-L301 HydrophobicContact CE2-CB 4.47Å; F95-L301 HydrophobicContact CE2-CD2 4.17Å; F95-L301 PolarHBondContact O-N 3.38Å
96S96.8Very high96.1Very high26 Ų2648.2 Ų48.218%0.18230%0.296CS..SBendtrans-110.9137.8170.1-179.10000109.6
97P95.9Very high96.1Very high9 Ų949.1 Ų49.16%0.05829%0.292CS..  trans-62.9155.9177.7-21.233.1000112.9T99 Q157 R158 I160 W300P97-T99 PolarHBondContact O-N 3.09Å; P97-T99 PolarHBondContact O-OG1 2.95Å; P97-Q157 HydrophobicContact CB-CG 3.79Å; P97-Q157 HydrophobicContact CG-CG 4.23Å; P97-R158 WeakPolarHBondContact CB-O 3.4Å; P97-I160 HydrophobicContact CG-CD1 3.9Å; P97-I160 HydrophobicContact CG-CG1 4.17Å; P97-W300 HydrophobicContact CG-CE3 4.13Å
98T95.9Very high96.1Very high50 Ų5047.7 Ų47.731%0.30729%0.287SS..  trans-53.6128.8168.2-51.70000109.2F100 R158T98-F100 HydrophobicContact CG2-CE2 3.87Å; T98-F100 HydrophobicContact CG2-CZ 4.14Å; T98-R158 PolarHBondContact O-N 2.76Å
99T97.9Very high96.2Very high8 Ų845 Ų455%0.04928%0.275CS..EExtended strand (participates in β ladder)trans-144.8150.4-168.2-56.10000109.4V78 R82 P97 V155 V156 Q157V78-T99 HydrophobicContact CB-CG2 4.42Å; V78-T99 HydrophobicContact CG1-CG2 4.1Å; V78-T99 HydrophobicContact CG2-CG2 3.42Å; V78-T99 VanDerWaalsContact CG2-CG2 3.42Å; R82-T99 PolarHBondContact NH2-O 2.81Å; P97-T99 PolarHBondContact O-N 3.09Å; P97-T99 PolarHBondContact O-OG1 2.95Å; T99-V155 HydrophobicContact CG2-CG1 3.11Å; T99-V156 CarbonylContact C-O 3.52Å; T99-V156 WeakPolarHBondContact CA-O 3.48Å; T99-Q157 HydrophobicContact CG2-CB 4.05Å; T99-Q157 HydrophobicContact CG2-CG 4.43Å; T99-Q157 WeakPolarHBondContact OG1-CG 3.3Å; T99-Q157 PolarHBondContact OG1-NE2 2.9Å
100F98.2Very high96.3Very high20 Ų2045.6 Ų45.69%0.08827%0.27CS..EExtended strand (participates in β ladder)trans-136.8148178.1-61-86000111.2T98 E105 F109 E112 W126 V155 V156T98-F100 HydrophobicContact CG2-CE2 3.87Å; T98-F100 HydrophobicContact CG2-CZ 4.14Å; F100-E105 VanDerWaalsContact CA-OE2 3.29Å; F100-E105 WeakPolarHBondContact CA-OE2 3.45Å; F100-E105 HydrophobicContact CB-CB 4.35Å; F100-E105 HydrophobicContact CD1-CB 4.37Å; F100-F109 HydrophobicContact CB-CB 3.97Å; F100-F109 HydrophobicContact CD1-CB 4.06Å; F100-F109 HydrophobicContact CD2-CB 3.97Å; F100-F109 AromaticContact CD2-CD2 3.71Å; F100-F109 HydrophobicContact CD2-CD2 3.71Å; F100-F109 HydrophobicContact CD2-CG 4.27Å; F100-F109 HydrophobicContact CE2-CB 4.49Å; F100-F109 HydrophobicContact CE2-CD2 4.09Å; F100-F109 HydrophobicContact CG-CB 3.73Å; F100-F109 HydrophobicContact CG-CD2 4.32Å; F100-F109 HydrophobicContact CG-CG 4.45Å; F100-E112 HydrophobicContact CE2-CB 4.14Å; F100-E112 HydrophobicContact CE2-CG 4.2Å; F100-E112 HydrophobicContact CZ-CB 3.69Å; F100-E112 HydrophobicContact CZ-CG 4Å; F100-W126 HydrophobicContact CD2-CZ3 4.13Å; F100-W126 AromaticContact CE2-CH2 4Å; F100-W126 HydrophobicContact CE2-CH2 4Å; F100-W126 HydrophobicContact CE2-CZ3 4.01Å; F100-V155 CarbonylContact O-C 3.59Å; F100-V155 WeakPolarHBondContact O-CA 3.3Å; F100-V156 PolarHBondContact N-O 2.83Å; F100-V156 PolarHBondContact O-N 2.8Å
101I98.2Very high96.4Very high4 Ų445.9 Ų45.92%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-109.4111.4-178.2-55.5165.8000109D75 V78 R79 N104 E105D75-I101 HydrophobicContact CB-CD1 4.03Å; D75-I101 HydrophobicContact CB-CG1 4.24Å; D75-I101 HydrophobicContact CB-CG2 4.08Å; V78-I101 HydrophobicContact CB-CD1 4.23Å; V78-I101 HydrophobicContact CB-CG1 4.46Å; V78-I101 HydrophobicContact CG1-CD1 3.97Å; V78-I101 HydrophobicContact CG1-CG1 4.09Å; R79-I101 HydrophobicContact CG-CD1 3.72Å; I101-N104 PolarHBondContact O-N 3.01Å; I101-E105 PolarHBondContact N-OE2 3.39Å; I101-E105 WeakPolarHBondContact O-CB 3.27Å; I101-E105 WeakPolarHBondContact O-CG 3.23Å; I101-E105 PolarHBondContact O-N 3.1Å
102L97.7Very high96.5Very high0 Ų043.4 Ų43.40%025%0.247CC..EExtended strand (participates in β ladder)trans-96.2150.2-177.8-60.5-172.7000111.9Y106 F109 L148 Y150 S153 V154 V156L102-Y106 HydrophobicContact CD1-CD2 4.39Å; L102-Y106 VanDerWaalsContact CD2-CA 3.43Å; L102-Y106 HydrophobicContact CD2-CD2 4.06Å; L102-Y106 HydrophobicContact CD2-CG 4.47Å; L102-F109 HydrophobicContact CD2-CB 4.48Å; L102-L148 HydrophobicContact CD1-CD2 3.98Å; L102-Y150 HydrophobicContact CB-CE2 4.16Å; L102-Y150 HydrophobicContact CD1-CD1 4.2Å; L102-Y150 HydrophobicContact CD1-CE1 3.69Å; L102-S153 WeakPolarHBondContact O-CA 3.31Å; L102-S153 PolarHBondContact O-OG 3.34Å; L102-V154 HydrophobicContact CB-CG2 3.73Å; L102-V154 HydrophobicContact CD1-CG2 3.97Å; L102-V154 HydrophobicContact CG-CG2 4.22Å; L102-V154 PolarHBondContact N-O 3.27Å; L102-V154 PolarHBondContact O-N 2.77Å; L102-V156 HydrophobicContact CD1-CB 4.3Å; L102-V156 HydrophobicContact CD1-CG2 3.49Å; L102-V156 VanDerWaalsContact CD1-CG2 3.49Å; L102-V156 HydrophobicContact CG-CG2 4.17Å
103P96.5Very high96.5Very high71 Ų7142.6 Ų42.646%0.46124%0.242SC..THydrogen-bonded Turncis-78.2-16.93.531.3-35.6000115E105 Y106 Y150P103-E105 VanDerWaalsContact C-N 3.26Å; P103-E105 PolarHBondContact O-N 2.97Å; P103-E105 VanDerWaalsContact O-N 3.08Å; P103-Y106 VanDerWaalsContact O-CB 3.27Å; P103-Y106 WeakPolarHBondContact O-CB 3.35Å; P103-Y106 PolarHBondContact O-N 2.71Å; P103-Y150 HydrophobicContact CB-CE2 4.27Å
104N97.2Very high96.3Very high140 Ų14046.3 Ų46.375%0.74926%0.262SS*.THydrogen-bonded Turntrans-57.9-31.3-165.3-6110.9000114.9I101I101-N104 PolarHBondContact O-N 3.01Å
105E97.8Very high96Very high42 Ų4249.8 Ų49.820%0.19627%0.274CS..THydrogen-bonded Turntrans-106.719.4-177.6-57.5179.4166.900113.2R82 F100 I101 P103 T107 S108 F109R82-E105 IonicContact CZ-OE1 3.36Å; R82-E105 IonicContact CZ-OE2 3.61Å; R82-E105 VanDerWaalsContact NH1-CD 3.28Å; R82-E105 IonicContact NH1-OE1 2.71Å; R82-E105 PolarHBondContact NH1-OE1 3.39Å; R82-E105 IonicContact NH1-OE2 3.6Å; R82-E105 PolarHBondContact NH1-OE2 2.79Å; R82-E105 VanDerWaalsContact NH1-OE2 3.08Å; R82-E105 IonicContact NH2-OE1 3.01Å; R82-E105 IonicContact NH2-OE2 3.06Å; R82-E105 PolarHBondContact NH2-OE2 2.72Å; F100-E105 VanDerWaalsContact CA-OE2 3.29Å; F100-E105 WeakPolarHBondContact CA-OE2 3.45Å; F100-E105 HydrophobicContact CB-CB 4.35Å; F100-E105 HydrophobicContact CD1-CB 4.37Å; I101-E105 PolarHBondContact N-OE2 3.39Å; I101-E105 WeakPolarHBondContact O-CB 3.27Å; I101-E105 WeakPolarHBondContact O-CG 3.23Å; I101-E105 PolarHBondContact O-N 3.1Å; P103-E105 VanDerWaalsContact C-N 3.26Å; P103-E105 PolarHBondContact O-N 2.97Å; P103-E105 VanDerWaalsContact O-N 3.08Å; E105-T107 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 3.1Å; E105-S108 PolarHBondContact O-N 2.94Å; E105-F109 WeakPolarHBondContact O-CB 3.28Å; E105-F109 PolarHBondContact O-N 2.8Å
106Y97.1Very high95.4Very high84 Ų8450.9 Ų50.933%0.32928%0.28SS..Hα-helixtrans-57.6-41.9-176.1-175.5-107.1000113.4L102 P103 F109 L110 L148L102-Y106 HydrophobicContact CD1-CD2 4.39Å; L102-Y106 VanDerWaalsContact CD2-CA 3.43Å; L102-Y106 HydrophobicContact CD2-CD2 4.06Å; L102-Y106 HydrophobicContact CD2-CG 4.47Å; P103-Y106 VanDerWaalsContact O-CB 3.27Å; P103-Y106 WeakPolarHBondContact O-CB 3.35Å; P103-Y106 PolarHBondContact O-N 2.71Å; Y106-F109 HydrophobicContact CD2-CD1 4.45Å; Y106-F109 PolarHBondContact O-N 2.84Å; Y106-L110 HydrophobicContact CD1-CD1 3.93Å; Y106-L110 HydrophobicContact CD1-CG 4.32Å; Y106-L110 HydrophobicContact CE1-CD1 3.35Å; Y106-L110 HydrophobicContact CE1-CG 3.94Å; Y106-L110 HydrophobicContact CE2-CG 4.37Å; Y106-L110 WeakPolarHBondContact O-CB 3.37Å; Y106-L110 WeakPolarHBondContact O-CG 3.48Å; Y106-L110 PolarHBondContact O-N 3.25Å; Y106-L148 HydrophobicContact CE2-CD2 4.47Å
107T97.1Very high94.4Very high106 Ų10654.3 Ų54.365%0.6530%0.296SS*.Hα-helixtrans-66.7-40.6177.651.20000112.2E105 L110 A111E105-T107 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 3.1Å; T107-L110 PolarHBondContact O-N 2.96Å; T107-A111 PolarHBondContact O-N 3.02Å
108S97.3Very high93Very high65 Ų6558.6 Ų58.646%0.45532%0.324SS..Hα-helixtrans-66.3-39.2174.9-50.70000112.1E105 A111 E112E105-S108 PolarHBondContact O-N 2.94Å; S108-A111 PolarHBondContact O-N 3.39Å; S108-E112 PolarHBondContact O-N 3.18Å
109F97.1Very high91.3Very high0 Ų061.7 Ų61.70%034%0.338CS..Hα-helixtrans-62.6-48.5172.7166.1-117.2000111.4F100 L102 E105 Y106 A111 E112 Y113 W126 F142 I145 L148 V156F100-F109 HydrophobicContact CB-CB 3.97Å; F100-F109 HydrophobicContact CD1-CB 4.06Å; F100-F109 HydrophobicContact CD2-CB 3.97Å; F100-F109 AromaticContact CD2-CD2 3.71Å; F100-F109 HydrophobicContact CD2-CD2 3.71Å; F100-F109 HydrophobicContact CD2-CG 4.27Å; F100-F109 HydrophobicContact CE2-CB 4.49Å; F100-F109 HydrophobicContact CE2-CD2 4.09Å; F100-F109 HydrophobicContact CG-CB 3.73Å; F100-F109 HydrophobicContact CG-CD2 4.32Å; F100-F109 HydrophobicContact CG-CG 4.45Å; L102-F109 HydrophobicContact CD2-CB 4.48Å; E105-F109 WeakPolarHBondContact O-CB 3.28Å; E105-F109 PolarHBondContact O-N 2.8Å; Y106-F109 HydrophobicContact CD2-CD1 4.45Å; Y106-F109 PolarHBondContact O-N 2.84Å; F109-A111 VanDerWaalsContact C-N 3.29Å; F109-A111 PolarHBondContact O-N 3.5Å; F109-E112 PolarHBondContact O-N 2.83Å; F109-Y113 HydrophobicContact CE2-CD2 4.41Å; F109-Y113 HydrophobicContact CZ-CD2 4.09Å; F109-Y113 HydrophobicContact CZ-CG 4.45Å; F109-Y113 VanDerWaalsContact O-CB 3.29Å; F109-Y113 WeakPolarHBondContact O-CB 3.34Å; F109-Y113 PolarHBondContact O-N 3.34Å; F109-W126 HydrophobicContact CD2-CE3 4.43Å; F109-W126 HydrophobicContact CD2-CH2 4.31Å; F109-W126 HydrophobicContact CD2-CZ3 4.2Å; F109-W126 AromaticContact CE2-CD2 3.79Å; F109-W126 HydrophobicContact CE2-CD2 3.79Å; F109-W126 AromaticContact CE2-CE2 3.9Å; F109-W126 AromaticContact CE2-CE3 3.81Å; F109-W126 HydrophobicContact CE2-CE3 3.81Å; F109-W126 HydrophobicContact CE2-CG 4.39Å; F109-W126 HydrophobicContact CE2-CH2 4.08Å; F109-W126 HydrophobicContact CE2-CZ2 4.04Å; F109-W126 AromaticContact CE2-CZ3 3.96Å; F109-W126 HydrophobicContact CE2-CZ3 3.96Å; F109-W126 HydrophobicContact CZ-CD2 4.5Å; F109-F142 AromaticContact CZ-CE2 3.98Å; F109-F142 HydrophobicContact CZ-CE2 3.98Å; F109-F142 AromaticContact CZ-CZ 3.9Å; F109-F142 HydrophobicContact CZ-CZ 3.9Å; F109-I145 HydrophobicContact CE1-CD1 3.55Å; F109-I145 HydrophobicContact CZ-CD1 4.14Å; F109-L148 HydrophobicContact CD1-CD2 4.23Å; F109-L148 HydrophobicContact CE1-CD2 3.49Å; F109-L148 VanDerWaalsContact CE1-CD2 3.49Å; F109-L148 HydrophobicContact CZ-CD2 4.24Å; F109-V156 HydrophobicContact CD2-CG1 3.88Å; F109-V156 HydrophobicContact CE1-CG1 4.36Å; F109-V156 HydrophobicContact CE2-CG1 3.54Å; F109-V156 HydrophobicContact CG-CG1 4.44Å; F109-V156 HydrophobicContact CZ-CG1 3.81Å
110L95.5Very high89Confident43 Ų4372.7 Ų72.723%0.22538%0.379CS..Hα-helixtrans-59.8-38176.7-77.9-175.2000112.6Y106 T107 Y113 N114 I145Y106-L110 HydrophobicContact CD1-CD1 3.93Å; Y106-L110 HydrophobicContact CD1-CG 4.32Å; Y106-L110 HydrophobicContact CE1-CD1 3.35Å; Y106-L110 HydrophobicContact CE1-CG 3.94Å; Y106-L110 HydrophobicContact CE2-CG 4.37Å; Y106-L110 WeakPolarHBondContact O-CB 3.37Å; Y106-L110 WeakPolarHBondContact O-CG 3.48Å; Y106-L110 PolarHBondContact O-N 3.25Å; T107-L110 PolarHBondContact O-N 2.96Å; L110-Y113 PolarHBondContact O-N 3.21Å; L110-N114 VanDerWaalsContact O-CB 3.23Å; L110-N114 WeakPolarHBondContact O-CB 3.32Å; L110-N114 PolarHBondContact O-N 2.73Å; L110-N114 PolarHBondContact O-ND2 3.38Å; L110-I145 HydrophobicContact CD2-CD1 3.72Å; L110-I145 HydrophobicContact CD2-CG1 3.89Å
111A95.2Very high86.8Confident63 Ų6378.8 Ų78.852%0.52141%0.408SS..Hα-helixtrans-62.7-46.5176.500000112.1T107 S108 F109 K115T107-A111 PolarHBondContact O-N 3.02Å; S108-A111 PolarHBondContact O-N 3.39Å; F109-A111 VanDerWaalsContact C-N 3.29Å; F109-A111 PolarHBondContact O-N 3.5Å; A111-K115 VanDerWaalsContact O-CB 3.3Å; A111-K115 WeakPolarHBondContact O-CB 2.98Å; A111-K115 PolarHBondContact O-N 2.73Å
112E93.8Very high84.8Confident48 Ų4889.6 Ų89.622%0.22445%0.448CS..Hα-helixtrans-69.6-38.5176.6-177.871.4171.800112F100 S108 F109 K115 L116 W126F100-E112 HydrophobicContact CE2-CB 4.14Å; F100-E112 HydrophobicContact CE2-CG 4.2Å; F100-E112 HydrophobicContact CZ-CB 3.69Å; F100-E112 HydrophobicContact CZ-CG 4Å; S108-E112 PolarHBondContact O-N 3.18Å; F109-E112 PolarHBondContact O-N 2.83Å; E112-K115 PolarHBondContact O-N 3.38Å; E112-K115 IonicContact OE2-NZ 3.62Å; E112-L116 HydrophobicContact CG-CD1 4.3Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.32Å; E112-L116 PolarHBondContact O-N 3.28Å; E112-W126 HydrophobicContact CG-CH2 4.27Å
113Y92.7Very high83.3Confident20 Ų2091.9 Ų91.98%0.07846%0.464CS..Hα-helixtrans-58.9-52173.8177.3-88.9000110.9F109 L110 K115 L116 L117 W126 R143 I145F109-Y113 HydrophobicContact CE2-CD2 4.41Å; F109-Y113 HydrophobicContact CZ-CD2 4.09Å; F109-Y113 HydrophobicContact CZ-CG 4.45Å; F109-Y113 VanDerWaalsContact O-CB 3.29Å; F109-Y113 WeakPolarHBondContact O-CB 3.34Å; F109-Y113 PolarHBondContact O-N 3.34Å; L110-Y113 PolarHBondContact O-N 3.21Å; Y113-K115 VanDerWaalsContact C-N 3.33Å; Y113-K115 PolarHBondContact O-N 2.83Å; Y113-L116 PolarHBondContact O-N 3.28Å; Y113-L117 HydrophobicContact CD1-CD1 4.31Å; Y113-L117 HydrophobicContact CD1-CG 4.4Å; Y113-L117 HydrophobicContact CE1-CD1 3.96Å; Y113-L117 HydrophobicContact CE1-CD2 3.89Å; Y113-L117 HydrophobicContact CE1-CG 4.12Å; Y113-L117 PolarHBondContact O-N 2.68Å; Y113-W126 AromaticContact CD2-NE1 3.58Å; Y113-R143 WeakPolarHBondContact CE2-O 3.39Å; Y113-R143 PolarHBondContact OH-O 2.96Å; Y113-I145 HydrophobicContact CE1-CB 4.04Å; Y113-I145 HydrophobicContact CE1-CG2 4.45Å; Y113-I145 PolarHBondContact OH-N 2.88Å
114N90.9Very high82.8Confident86 Ų8690.7 Ų90.746%0.4646%0.456SS..Hα-helixtrans-64.6-35.4180-72.8-21.8000112.5L110 L116 L117 P118L110-N114 VanDerWaalsContact O-CB 3.23Å; L110-N114 WeakPolarHBondContact O-CB 3.32Å; L110-N114 PolarHBondContact O-N 2.73Å; L110-N114 PolarHBondContact O-ND2 3.38Å; N114-L116 PolarHBondContact O-N 3.47Å; N114-L117 PolarHBondContact O-N 3.21Å; N114-P118 VanDerWaalsContact O-CD 3.3Å; N114-P118 WeakPolarHBondContact O-CD 3.36Å
115K89.6Confident82.6Confident148 Ų14884 Ų8464%0.64342%0.42SS*.Hα-helixtrans-61.9-27.1173.6-179.4-177.4174.1-170.30113A111 E112 Y113 P118A111-K115 VanDerWaalsContact O-CB 3.3Å; A111-K115 WeakPolarHBondContact O-CB 2.98Å; A111-K115 PolarHBondContact O-N 2.73Å; E112-K115 PolarHBondContact O-N 3.38Å; E112-K115 IonicContact OE2-NZ 3.62Å; Y113-K115 VanDerWaalsContact C-N 3.33Å; Y113-K115 PolarHBondContact O-N 2.83Å; K115-P118 WeakPolarHBondContact O-CD 3.11Å
116L85.6Confident82.5Confident36 Ų3682.2 Ų82.219%0.18841%0.411CS..Hα-helixtrans-91.1-10.9-179.7-65.4170.3000113.5E112 Y113 N114 V124 W126E112-L116 HydrophobicContact CG-CD1 4.3Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.32Å; E112-L116 PolarHBondContact O-N 3.28Å; Y113-L116 PolarHBondContact O-N 3.28Å; N114-L116 PolarHBondContact O-N 3.47Å; L116-V124 HydrophobicContact CD1-CG1 4.22Å; L116-W126 HydrophobicContact CD1-CZ2 4.05Å
117L75.9Confident82.5Confident98 Ų9878.8 Ų78.851%0.51340%0.398SS..SBendtrans-66.2-39.3177.1-67.5175000115.6Y113 N114 N119Y113-L117 HydrophobicContact CD1-CD1 4.31Å; Y113-L117 HydrophobicContact CD1-CG 4.4Å; Y113-L117 HydrophobicContact CE1-CD1 3.96Å; Y113-L117 HydrophobicContact CE1-CD2 3.89Å; Y113-L117 HydrophobicContact CE1-CG 4.12Å; Y113-L117 PolarHBondContact O-N 2.68Å; N114-L117 PolarHBondContact O-N 3.21Å; L117-N119 VanDerWaalsContact C-N 3.28Å; L117-N119 PolarHBondContact O-N 3.23Å
118P66.4Low82.5Confident98 Ų9873.8 Ų73.864%0.63637%0.368SS*.SBendtrans-69.5-25.8-176.5-2234.6000113.5N114 K115 R120N114-P118 VanDerWaalsContact O-CD 3.3Å; N114-P118 WeakPolarHBondContact O-CD 3.36Å; K115-P118 WeakPolarHBondContact O-CD 3.11Å; P118-R120 VanDerWaalsContact C-N 3.34Å; P118-R120 PolarHBondContact O-N 3.32Å
119N58.8Low82.4Confident115 Ų11571.5 Ų71.562%0.61535%0.35SS*.SBendtrans-70.992.9170.2-75-10.3000108.2L117 E121L117-N119 VanDerWaalsContact C-N 3.28Å; L117-N119 PolarHBondContact O-N 3.23Å; N119-E121 PolarHBondContact O-N 3.5Å
120R49.7Very low82.3Confident240 Ų24072 Ų7291%0.90635%0.353SS*.  trans-57.84.2-171.7-70.1-174.5173.6-170.5-0.7116.7P118 R122P118-R120 VanDerWaalsContact C-N 3.34Å; P118-R120 PolarHBondContact O-N 3.32Å; R120-R122 PolarHBondContact O-N 3.12Å; R120-R122 VanDerWaalsContact O-N 3.13Å
121E53.3Low82.1Confident147 Ų14770.3 Ų70.369%0.68734%0.344SS*.  trans-66108.5161-69.2-167.6-17000110.3N119 S123N119-E121 PolarHBondContact O-N 3.5Å; E121-S123 WeakPolarHBondContact CB-OG 3.25Å; E121-S123 PolarHBondContact O-N 3.02Å; E121-S123 PolarHBondContact OE2-OG 3.31Å
122R55.2Low81.6Confident232 Ų23272.3 Ų72.388%0.87535%0.346SS*.THydrogen-bonded Turntrans-68.628.6168.8-62.4173.5171.6168.8-4.4112.7R120 R143R120-R122 PolarHBondContact O-N 3.12Å; R120-R122 VanDerWaalsContact O-N 3.13Å; R122-R143 PolarHBondContact O-NE 3.02Å
123S66.5Low81.1Confident47 Ų4772.9 Ų72.933%0.32935%0.35SS..THydrogen-bonded Turntrans-94-25.7-168.868.20000113.7E121 C125 S161E121-S123 WeakPolarHBondContact CB-OG 3.25Å; E121-S123 PolarHBondContact O-N 3.02Å; E121-S123 PolarHBondContact OE2-OG 3.31Å; S123-C125 PolarHBondContact O-N 3.14Å; S123-S161 PolarHBondContact O-OG 3.04Å
124V85.9Confident80.5Confident47 Ų4774.7 Ų74.729%0.28537%0.366SS..  trans-69.8121.8179.7-174.10000109.7L116L116-V124 HydrophobicContact CD1-CG1 4.22Å
125C92.4Very high79.9Confident0 Ų077.6 Ų77.60%037%0.371CS..  trans-121.9151.7176.8-174.90000108.8S123 F142 Y159S123-C125 PolarHBondContact O-N 3.14Å; C125-F142 PolarHBondContact SG-O 2.84Å; C125-Y159 HydrophobicContact CB-CD1 3.97Å; C125-Y159 HydrophobicContact CB-CG 4.38Å; C125-Y159 VanDerWaalsContact O-CB 3.3Å; C125-Y159 WeakPolarHBondContact O-CB 3.49Å; C125-Y159 PolarHBondContact O-N 3.26Å
126W96.1Very high79.3Confident4 Ų471 Ų712%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-119.5153.9175.2-61.790.1000109.9F100 F109 E112 Y113 L116 L141 F142 V156 Q157 R158F100-W126 HydrophobicContact CD2-CZ3 4.13Å; F100-W126 AromaticContact CE2-CH2 4Å; F100-W126 HydrophobicContact CE2-CH2 4Å; F100-W126 HydrophobicContact CE2-CZ3 4.01Å; F109-W126 HydrophobicContact CD2-CE3 4.43Å; F109-W126 HydrophobicContact CD2-CH2 4.31Å; F109-W126 HydrophobicContact CD2-CZ3 4.2Å; F109-W126 AromaticContact CE2-CD2 3.79Å; F109-W126 HydrophobicContact CE2-CD2 3.79Å; F109-W126 AromaticContact CE2-CE2 3.9Å; F109-W126 AromaticContact CE2-CE3 3.81Å; F109-W126 HydrophobicContact CE2-CE3 3.81Å; F109-W126 HydrophobicContact CE2-CG 4.39Å; F109-W126 HydrophobicContact CE2-CH2 4.08Å; F109-W126 HydrophobicContact CE2-CZ2 4.04Å; F109-W126 AromaticContact CE2-CZ3 3.96Å; F109-W126 HydrophobicContact CE2-CZ3 3.96Å; F109-W126 HydrophobicContact CZ-CD2 4.5Å; E112-W126 HydrophobicContact CG-CH2 4.27Å; Y113-W126 AromaticContact CD2-NE1 3.58Å; L116-W126 HydrophobicContact CD1-CZ2 4.05Å; W126-L141 CarbonylContact O-C 3.5Å; W126-L141 VanDerWaalsContact O-CA 3.3Å; W126-L141 WeakPolarHBondContact O-CA 3.41Å; W126-F142 HydrophobicContact CB-CD1 3.93Å; W126-F142 HydrophobicContact CB-CD2 4.2Å; W126-F142 HydrophobicContact CB-CE1 3.47Å; W126-F142 VanDerWaalsContact CB-CE1 3.47Å; W126-F142 HydrophobicContact CB-CE2 3.78Å; W126-F142 HydrophobicContact CB-CG 4.27Å; W126-F142 HydrophobicContact CB-CZ 3.4Å; W126-F142 HydrophobicContact CG-CE2 4.17Å; W126-F142 HydrophobicContact CG-CZ 4.06Å; W126-F142 PolarHBondContact N-O 3.2Å; W126-F142 PolarHBondContact O-N 2.89Å; W126-V156 HydrophobicContact CB-CG1 4.42Å; W126-V156 HydrophobicContact CD2-CG1 4.43Å; W126-V156 HydrophobicContact CE3-CG1 3.85Å; W126-Q157 CarbonylContact C-O 3.56Å; W126-Q157 WeakPolarHBondContact CA-O 3.3Å; W126-R158 HydrophobicContact CE3-CB 4.14Å; W126-R158 HydrophobicContact CH2-CB 4.36Å; W126-R158 HydrophobicContact CZ3-CB 3.91Å
127I97.4Very high79.1Confident12 Ų1275.2 Ų75.26%0.06236%0.358CS..EExtended strand (participates in β ladder)trans-124.5122.8174.2-173.3169.8000108.6K129 I139 F140 L141 Q157 Y159 L214I127-K129 HydrophobicContact CG1-CG 4.27Å; I127-I139 HydrophobicContact CD1-CG2 3.64Å; I127-I139 HydrophobicContact CG1-CG2 3.68Å; I127-F140 WeakPolarHBondContact CA-O 3.26Å; I127-L141 HydrophobicContact CB-CG 4.42Å; I127-L141 HydrophobicContact CD1-CD1 4.02Å; I127-L141 HydrophobicContact CG1-CD1 4.14Å; I127-L141 HydrophobicContact CG1-CG 4.37Å; I127-Q157 HydrophobicContact CG2-CB 3.93Å; I127-Q157 HydrophobicContact CG2-CG 4.38Å; I127-Q157 WeakPolarHBondContact CG2-O 2.96Å; I127-Q157 PolarHBondContact N-O 3.23Å; I127-Q157 PolarHBondContact O-N 2.97Å; I127-Y159 HydrophobicContact CB-CD2 4.03Å; I127-Y159 HydrophobicContact CD1-CD2 4.15Å; I127-Y159 HydrophobicContact CD1-CE2 4.45Å; I127-Y159 HydrophobicContact CG2-CD2 4.19Å; I127-L214 HydrophobicContact CD1-CD2 4.13Å
128C97.4Very high79.8Confident1 Ų172.9 Ų72.91%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-91.3132.7174.3-171.60000109I139 F140 F142 L148 V156C128-I139 WeakPolarHBondContact O-CA 3.27Å; C128-F140 HydrophobicContact CB-CD1 3.98Å; C128-F140 HydrophobicContact CB-CD2 4.25Å; C128-F140 HydrophobicContact CB-CE1 3.56Å; C128-F140 HydrophobicContact CB-CE2 3.84Å; C128-F140 HydrophobicContact CB-CG 4.31Å; C128-F140 HydrophobicContact CB-CZ 3.49Å; C128-F140 VanDerWaalsContact CB-CZ 3.49Å; C128-F140 PolarHBondContact N-O 3.01Å; C128-F140 PolarHBondContact O-N 3.06Å; C128-F142 HydrophobicContact CB-CD1 4.43Å; C128-F142 HydrophobicContact CB-CE1 4.11Å; C128-L148 HydrophobicContact CB-CD1 4.27Å; C128-V156 HydrophobicContact CB-CG2 4.43Å
129K95.9Very high81.1Confident17 Ų1769.4 Ų69.47%0.07433%0.334CS..EExtended strand (participates in β ladder)trans-135.5116.8-178.9-58.1177.3177.4173.80109.7K74 I127 I139 V154 V155K74-K129 HydrophobicContact CD-CB 4.15Å; K74-K129 HydrophobicContact CD-CD 4.42Å; I127-K129 HydrophobicContact CG1-CG 4.27Å; K129-I139 HydrophobicContact CB-CG1 4.46Å; K129-I139 HydrophobicContact CG-CD1 4.12Å; K129-I139 HydrophobicContact CG-CG1 4.26Å; K129-I139 HydrophobicContact CG-CG2 4.4Å; K129-V154 WeakPolarHBondContact O-CA 3.4Å; K129-V155 PolarHBondContact N-O 3.24Å; K129-V155 PolarHBondContact O-N 2.74Å
130P94.7Very high82.8Confident11 Ų1166.8 Ų66.87%0.07132%0.317CS..EExtended strand (participates in β ladder)trans-58.8141.2172.2-23.834.8000111.4K74 L133 G138 V154K74-P130 PolarHBondContact NZ-O 2.99Å; P130-L133 HydrophobicContact CB-CB 4.03Å; P130-L133 HydrophobicContact CB-CD1 4.04Å; P130-L133 HydrophobicContact CB-CG 3.97Å; P130-L133 HydrophobicContact CG-CD1 4.11Å; P130-G138 WeakPolarHBondContact CD-O 3.39Å; P130-V154 HydrophobicContact CG-CG1 4.5Å
131V90.8Very high85Confident6 Ų656.2 Ų56.24%0.03628%0.278CS..SBendtrans-61.9-54.1-174.8174.60000110.5K74 D75 S153 V155K74-V131 PolarHBondContact NZ-O 3.49Å; D75-V131 HydrophobicContact CB-CG1 4.14Å; D75-V131 HydrophobicContact CB-CG2 4.06Å; D75-V131 VanDerWaalsContact OD1-CG1 3.3Å; D75-V131 WeakPolarHBondContact OD1-CG1 3.46Å; V131-S153 WeakPolarHBondContact CG2-O 3.26Å; V131-S153 PolarHBondContact N-O 3.02Å; V131-V155 HydrophobicContact CG2-CG2 3.93Å
132D84.4Confident87Confident106 Ų10649.3 Ų49.357%0.56725%0.246SC*.SBendtrans-94.7-2.3-167.6-46.7-70.3000113.8R73R73-D132 IonicContact CZ-OD1 3.67Å; R73-D132 IonicContact NE-OD1 3.14Å; R73-D132 IonicContact NH2-OD1 3.73Å; R73-D132 PolarHBondContact NH2-OD1 3.04Å
133L83.5Confident88.7Confident59 Ų5942.2 Ų42.231%0.30922%0.219SC..  trans-90.3142.6173-58.7-174000112.9K74 P130 R137K74-L133 PolarHBondContact NZ-O 3.19Å; P130-L133 HydrophobicContact CB-CB 4.03Å; P130-L133 HydrophobicContact CB-CD1 4.04Å; P130-L133 HydrophobicContact CB-CG 3.97Å; P130-L133 HydrophobicContact CG-CD1 4.11Å; L133-R137 HydrophobicContact CB-CB 4.42Å; L133-R137 HydrophobicContact CD1-CB 4.27Å
134S80.9Confident89.9Confident59 Ų5942.6 Ų42.641%0.41322%0.218SC..  trans-120.5-178.2177.264.60000111.9G136 R137S134-G136 PolarHBondContact O-N 2.67Å; S134-R137 PolarHBondContact O-N 2.68Å
135R78.1Confident90.2Very high147 Ų14742.4 Ų42.456%0.55521%0.214SC*.THydrogen-bonded Turntrans63.518.8177.2-51.1176.8-173.5172.32.6114.6S218R135-S218 PolarHBondContact O-OG 2.82Å
136G76.3Confident90.2Very high10 Ų1050.2 Ų50.210%0.10325%0.249CC..THydrogen-bonded Turntrans808.3-178.400000115.4S134 I139S134-G136 PolarHBondContact O-N 2.67Å; G136-I139 PolarHBondContact O-N 2.92Å
137R82.3Confident90Very high123 Ų12354.5 Ų54.546%0.46427%0.272SS..THydrogen-bonded Turntrans-66.8135.4178.8-64.2-172.9-65.8162.60.9111.3L133 S134 I139L133-R137 HydrophobicContact CB-CB 4.42Å; L133-R137 HydrophobicContact CD1-CB 4.27Å; S134-R137 PolarHBondContact O-N 2.68Å; R137-I139 PolarHBondContact O-N 2.98Å
138G89.3Confident89.9Confident49 Ų4954.8 Ų54.851%0.50527%0.273SS..THydrogen-bonded Turntrans68.38.7179.200000115.1P130P130-G138 WeakPolarHBondContact CD-O 3.39Å
139I93.8Very high89.7Confident25 Ų2560 Ų6013%0.12831%0.305CS..  trans-82.1130.6175.3-60.3-171.8000109.5I127 C128 K129 G136 R137 L214I127-I139 HydrophobicContact CD1-CG2 3.64Å; I127-I139 HydrophobicContact CG1-CG2 3.68Å; C128-I139 WeakPolarHBondContact O-CA 3.27Å; K129-I139 HydrophobicContact CB-CG1 4.46Å; K129-I139 HydrophobicContact CG-CD1 4.12Å; K129-I139 HydrophobicContact CG-CG1 4.26Å; K129-I139 HydrophobicContact CG-CG2 4.4Å; G136-I139 PolarHBondContact O-N 2.92Å; R137-I139 PolarHBondContact O-N 2.98Å; I139-L214 HydrophobicContact CB-CD1 4.19Å; I139-L214 HydrophobicContact CG2-CD1 4.1Å; I139-L214 HydrophobicContact CG2-CD2 3.87Å
140F95.1Very high89.5Confident61 Ų6162.7 Ų62.727%0.26832%0.315SS..EExtended strand (participates in β ladder)trans-141.1156.9171.964.6-88.1000111.4I127 C128 F142 D147 L148 V149I127-F140 WeakPolarHBondContact CA-O 3.26Å; C128-F140 HydrophobicContact CB-CD1 3.98Å; C128-F140 HydrophobicContact CB-CD2 4.25Å; C128-F140 HydrophobicContact CB-CE1 3.56Å; C128-F140 HydrophobicContact CB-CE2 3.84Å; C128-F140 HydrophobicContact CB-CG 4.31Å; C128-F140 HydrophobicContact CB-CZ 3.49Å; C128-F140 VanDerWaalsContact CB-CZ 3.49Å; C128-F140 PolarHBondContact N-O 3.01Å; C128-F140 PolarHBondContact O-N 3.06Å; F140-F142 HydrophobicContact CD2-CB 4.47Å; F140-F142 HydrophobicContact CD2-CD1 4.25Å; F140-F142 HydrophobicContact CE2-CB 4.42Å; F140-F142 AromaticContact CE2-CD1 3.89Å; F140-F142 HydrophobicContact CE2-CD1 3.89Å; F140-F142 HydrophobicContact CE2-CG 4.43Å; F140-D147 VanDerWaalsContact CE2-O 3.28Å; F140-D147 WeakPolarHBondContact CE2-O 3.44Å; F140-L148 HydrophobicContact CZ-CD1 4.14Å; F140-V149 WeakPolarHBondContact CE1-O 3.43Å; F140-V149 WeakPolarHBondContact CZ-O 3.46Å
141L96Very high89.4Confident18 Ų1869.8 Ų69.89%0.09435%0.352CS..EExtended strand (participates in β ladder)trans-104.2145.5175.2-75.873000109.1W126 I127 Y159 L207 H213 L214W126-L141 CarbonylContact O-C 3.5Å; W126-L141 VanDerWaalsContact O-CA 3.3Å; W126-L141 WeakPolarHBondContact O-CA 3.41Å; I127-L141 HydrophobicContact CB-CG 4.42Å; I127-L141 HydrophobicContact CD1-CD1 4.02Å; I127-L141 HydrophobicContact CG1-CD1 4.14Å; I127-L141 HydrophobicContact CG1-CG 4.37Å; L141-Y159 HydrophobicContact CD2-CD1 4.09Å; L141-Y159 HydrophobicContact CD2-CD2 3.84Å; L141-Y159 HydrophobicContact CD2-CE1 3.9Å; L141-Y159 HydrophobicContact CD2-CE2 3.66Å; L141-Y159 HydrophobicContact CD2-CG 4.07Å; L141-Y159 HydrophobicContact CG-CD2 4.19Å; L141-Y159 HydrophobicContact CG-CE2 4.31Å; L141-L207 HydrophobicContact CB-CB 4.14Å; L141-L207 HydrophobicContact CD2-CD2 4.13Å; L141-H213 HydrophobicContact CD1-CB 4.07Å; L141-H213 HydrophobicContact CD2-CB 3.95Å; L141-L214 HydrophobicContact CD1-CD2 4.42Å
142F94.6Very high89.5Confident2 Ų272.2 Ų72.21%0.00937%0.369CS..EExtended strand (participates in β ladder)trans-145.1162.1178.467.3-82000113.2F109 C125 W126 C128 F140 D147 L148 V156F109-F142 AromaticContact CZ-CE2 3.98Å; F109-F142 HydrophobicContact CZ-CE2 3.98Å; F109-F142 AromaticContact CZ-CZ 3.9Å; F109-F142 HydrophobicContact CZ-CZ 3.9Å; C125-F142 PolarHBondContact SG-O 2.84Å; W126-F142 HydrophobicContact CB-CD1 3.93Å; W126-F142 HydrophobicContact CB-CD2 4.2Å; W126-F142 HydrophobicContact CB-CE1 3.47Å; W126-F142 VanDerWaalsContact CB-CE1 3.47Å; W126-F142 HydrophobicContact CB-CE2 3.78Å; W126-F142 HydrophobicContact CB-CG 4.27Å; W126-F142 HydrophobicContact CB-CZ 3.4Å; W126-F142 HydrophobicContact CG-CE2 4.17Å; W126-F142 HydrophobicContact CG-CZ 4.06Å; W126-F142 PolarHBondContact N-O 3.2Å; W126-F142 PolarHBondContact O-N 2.89Å; C128-F142 HydrophobicContact CB-CD1 4.43Å; C128-F142 HydrophobicContact CB-CE1 4.11Å; F140-F142 HydrophobicContact CD2-CB 4.47Å; F140-F142 HydrophobicContact CD2-CD1 4.25Å; F140-F142 HydrophobicContact CE2-CB 4.42Å; F140-F142 AromaticContact CE2-CD1 3.89Å; F140-F142 HydrophobicContact CE2-CD1 3.89Å; F140-F142 HydrophobicContact CE2-CG 4.43Å; F142-D147 HydrophobicContact CB-CB 3.79Å; F142-L148 HydrophobicContact CD2-CB 4.3Å; F142-L148 HydrophobicContact CE1-CD1 3.89Å; F142-L148 HydrophobicContact CE2-CB 4Å; F142-L148 HydrophobicContact CE2-CD2 4.29Å; F142-L148 HydrophobicContact CZ-CB 4.16Å; F142-L148 HydrophobicContact CZ-CD1 3.88Å; F142-L148 HydrophobicContact CZ-CD2 3.99Å; F142-L148 HydrophobicContact CZ-CG 4.22Å; F142-V156 HydrophobicContact CE1-CG1 4.18Å; F142-V156 HydrophobicContact CE1-CG2 4.4Å; F142-V156 HydrophobicContact CZ-CG1 3.77Å; F142-V156 HydrophobicContact CZ-CG2 4.36Å
143R91.8Very high90Very high83 Ų8369.2 Ų69.231%0.31336%0.356SS..SBendtrans-126.7-48.9172.2-78.6-177.1-179.4123.85.7112Y113 R122 L204 L207Y113-R143 WeakPolarHBondContact CE2-O 3.39Å; Y113-R143 PolarHBondContact OH-O 2.96Å; R122-R143 PolarHBondContact O-NE 3.02Å; R143-L204 PolarHBondContact NH1-O 3.16Å; R143-L204 VanDerWaalsContact NH1-O 3.17Å; R143-L204 PolarHBondContact NH2-O 3.47Å; R143-L207 HydrophobicContact CG-CD1 3.8Å
144D90.6Very high90.7Very high55 Ų5566.6 Ų66.629%0.29434%0.343SS..SBendtrans-78.7138.5173.3-166.3-34.7000108.5K146 D147D144-K146 PolarHBondContact O-N 3.49Å; D144-K146 VanDerWaalsContact OD1-CG 3.32Å; D144-K146 WeakPolarHBondContact OD1-CG 3.3Å; D144-K146 PolarHBondContact OD1-N 2.68Å; D144-K146 IonicContact OD1-NZ 2.73Å; D144-K146 IonicContact OD2-NZ 2.76Å; D144-K146 PolarHBondContact OD2-NZ 2.83Å; D144-D147 WeakPolarHBondContact O-CB 3.42Å; D144-D147 PolarHBondContact O-N 2.92Å; D144-D147 VanDerWaalsContact O-N 3.14Å
145I92.3Very high91.5Very high42 Ų4263.9 Ų63.922%0.21532%0.324CS..G310 helixtrans-59.5-26.2175.3-170.861.8000112.1F109 L110 Y113 D147 L148F109-I145 HydrophobicContact CE1-CD1 3.55Å; F109-I145 HydrophobicContact CZ-CD1 4.14Å; L110-I145 HydrophobicContact CD2-CD1 3.72Å; L110-I145 HydrophobicContact CD2-CG1 3.89Å; Y113-I145 HydrophobicContact CE1-CB 4.04Å; Y113-I145 HydrophobicContact CE1-CG2 4.45Å; Y113-I145 PolarHBondContact OH-N 2.88Å; I145-D147 PolarHBondContact O-N 3.22Å; I145-L148 HydrophobicContact CD1-CB 4.39Å; I145-L148 HydrophobicContact CD1-CD2 3.92Å; I145-L148 WeakPolarHBondContact O-CB 3.48Å; I145-L148 PolarHBondContact O-N 3.06Å; I145-L148 VanDerWaalsContact O-N 3.12Å
146K92.8Very high92.4Very high165 Ų16556.9 Ų56.972%0.71730%0.297SS*.G310 helixtrans-63.3-26.5176.2-63.4168.7-156.3132.60113.6D144 L148D144-K146 PolarHBondContact O-N 3.49Å; D144-K146 VanDerWaalsContact OD1-CG 3.32Å; D144-K146 WeakPolarHBondContact OD1-CG 3.3Å; D144-K146 PolarHBondContact OD1-N 2.68Å; D144-K146 IonicContact OD1-NZ 2.73Å; D144-K146 IonicContact OD2-NZ 2.76Å; D144-K146 PolarHBondContact OD2-NZ 2.83Å; K146-L148 VanDerWaalsContact C-N 3.26Å; K146-L148 PolarHBondContact O-N 3.4Å
147D93.2Very high93.5Very high93 Ų9357 Ų5750%0.49730%0.295SS..G310 helixtrans-79.1-11.3178.6-55.3-35.3000111.8F140 F142 D144 I145 V149F140-D147 VanDerWaalsContact CE2-O 3.28Å; F140-D147 WeakPolarHBondContact CE2-O 3.44Å; F142-D147 HydrophobicContact CB-CB 3.79Å; D144-D147 WeakPolarHBondContact O-CB 3.42Å; D144-D147 PolarHBondContact O-N 2.92Å; D144-D147 VanDerWaalsContact O-N 3.14Å; I145-D147 PolarHBondContact O-N 3.22Å; D147-V149 PolarHBondContact O-N 2.87Å
148L95.2Very high94.1Very high19 Ų1955.6 Ų55.610%0.09929%0.29CS..  trans-77.887.4178.8179.257.3000111L102 Y106 F109 C128 F140 F142 I145 K146 Y150 V156L102-L148 HydrophobicContact CD1-CD2 3.98Å; Y106-L148 HydrophobicContact CE2-CD2 4.47Å; F109-L148 HydrophobicContact CD1-CD2 4.23Å; F109-L148 HydrophobicContact CE1-CD2 3.49Å; F109-L148 VanDerWaalsContact CE1-CD2 3.49Å; F109-L148 HydrophobicContact CZ-CD2 4.24Å; C128-L148 HydrophobicContact CB-CD1 4.27Å; F140-L148 HydrophobicContact CZ-CD1 4.14Å; F142-L148 HydrophobicContact CD2-CB 4.3Å; F142-L148 HydrophobicContact CE1-CD1 3.89Å; F142-L148 HydrophobicContact CE2-CB 4Å; F142-L148 HydrophobicContact CE2-CD2 4.29Å; F142-L148 HydrophobicContact CZ-CB 4.16Å; F142-L148 HydrophobicContact CZ-CD1 3.88Å; F142-L148 HydrophobicContact CZ-CD2 3.99Å; F142-L148 HydrophobicContact CZ-CG 4.22Å; I145-L148 HydrophobicContact CD1-CB 4.39Å; I145-L148 HydrophobicContact CD1-CD2 3.92Å; I145-L148 WeakPolarHBondContact O-CB 3.48Å; I145-L148 PolarHBondContact O-N 3.06Å; I145-L148 VanDerWaalsContact O-N 3.12Å; K146-L148 VanDerWaalsContact C-N 3.26Å; K146-L148 PolarHBondContact O-N 3.4Å; L148-Y150 HydrophobicContact CD1-CD1 4.08Å; L148-Y150 HydrophobicContact CD2-CE1 4.48Å; L148-Y150 HydrophobicContact CG-CD1 4.08Å; L148-Y150 HydrophobicContact CG-CE1 4.25Å; L148-V156 HydrophobicContact CD1-CG2 3.83Å; L148-V156 HydrophobicContact CD2-CG2 4.33Å
149V92.1Very high94.5Very high110 Ų11054 Ų5467%0.66727%0.269SS*.  trans-106.2127.5173.7-175.70000110.2F140 D147F140-V149 WeakPolarHBondContact CE1-O 3.43Å; F140-V149 WeakPolarHBondContact CZ-O 3.46Å; D147-V149 PolarHBondContact O-N 2.87Å
150Y92.8Very high94.6Very high73 Ų7353.5 Ų53.529%0.28627%0.266SS..  trans-148.5148.8174.863.9-85.9000111.6L102 P103 L148 C152 V154L102-Y150 HydrophobicContact CB-CE2 4.16Å; L102-Y150 HydrophobicContact CD1-CD1 4.2Å; L102-Y150 HydrophobicContact CD1-CE1 3.69Å; P103-Y150 HydrophobicContact CB-CE2 4.27Å; L148-Y150 HydrophobicContact CD1-CD1 4.08Å; L148-Y150 HydrophobicContact CD2-CE1 4.48Å; L148-Y150 HydrophobicContact CG-CD1 4.08Å; L148-Y150 HydrophobicContact CG-CE1 4.25Å; Y150-C152 WeakPolarHBondContact CD2-O 3.49Å; Y150-V154 HydrophobicContact CD1-CG2 4.23Å; Y150-V154 HydrophobicContact CD2-CG2 4.1Å; Y150-V154 HydrophobicContact CG-CG1 4.44Å; Y150-V154 HydrophobicContact CG-CG2 3.82Å
151N91.1Very high94.6Very high160 Ų16051.8 Ų51.886%0.85626%0.261SS*.SBendtrans-128.36.8-179.466.9-19.1000113.3
152C92.8Very high94.6Very high57 Ų5754.2 Ų54.239%0.38528%0.275SS..SBendtrans-145.2178.9-178.560.10000109.1Y150 V154Y150-C152 WeakPolarHBondContact CD2-O 3.49Å; C152-V154 PolarHBondContact O-N 3.47Å
153S95.7Very high94.8Very high44 Ų4454.2 Ų54.231%0.30828%0.275SS..  trans-68.5128.3173.2-1690000110.5L102 V131L102-S153 WeakPolarHBondContact O-CA 3.31Å; L102-S153 PolarHBondContact O-OG 3.34Å; V131-S153 WeakPolarHBondContact CG2-O 3.26Å; V131-S153 PolarHBondContact N-O 3.02Å
154V97.3Very high95Very high3 Ų351.4 Ų51.42%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-130.2152.2-178.9-57.30000111L102 K129 P130 Y150 C152 V156L102-V154 HydrophobicContact CB-CG2 3.73Å; L102-V154 HydrophobicContact CD1-CG2 3.97Å; L102-V154 HydrophobicContact CG-CG2 4.22Å; L102-V154 PolarHBondContact N-O 3.27Å; L102-V154 PolarHBondContact O-N 2.77Å; K129-V154 WeakPolarHBondContact O-CA 3.4Å; P130-V154 HydrophobicContact CG-CG1 4.5Å; Y150-V154 HydrophobicContact CD1-CG2 4.23Å; Y150-V154 HydrophobicContact CD2-CG2 4.1Å; Y150-V154 HydrophobicContact CG-CG1 4.44Å; Y150-V154 HydrophobicContact CG-CG2 3.82Å; C152-V154 PolarHBondContact O-N 3.47Å; V154-V156 HydrophobicContact CG2-CG2 4.38Å
155V97.9Very high95.3Very high3 Ų351.9 Ų51.92%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-101.9115.5170.6177.30000108K74 D75 V78 T99 F100 K129 V131K74-V155 HydrophobicContact CB-CG2 3.86Å; D75-V155 HydrophobicContact CB-CG2 4.37Å; V78-V155 HydrophobicContact CG2-CG1 4.31Å; T99-V155 HydrophobicContact CG2-CG1 3.11Å; F100-V155 CarbonylContact O-C 3.59Å; F100-V155 WeakPolarHBondContact O-CA 3.3Å; K129-V155 PolarHBondContact N-O 3.24Å; K129-V155 PolarHBondContact O-N 2.74Å; V131-V155 HydrophobicContact CG2-CG2 3.93Å
156V98.2Very high95.4Very high0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-96.9118.4172.4168.30000108.6T99 F100 L102 F109 W126 C128 F142 L148 V154T99-V156 CarbonylContact C-O 3.52Å; T99-V156 WeakPolarHBondContact CA-O 3.48Å; F100-V156 PolarHBondContact N-O 2.83Å; F100-V156 PolarHBondContact O-N 2.8Å; L102-V156 HydrophobicContact CD1-CB 4.3Å; L102-V156 HydrophobicContact CD1-CG2 3.49Å; L102-V156 VanDerWaalsContact CD1-CG2 3.49Å; L102-V156 HydrophobicContact CG-CG2 4.17Å; F109-V156 HydrophobicContact CD2-CG1 3.88Å; F109-V156 HydrophobicContact CE1-CG1 4.36Å; F109-V156 HydrophobicContact CE2-CG1 3.54Å; F109-V156 HydrophobicContact CG-CG1 4.44Å; F109-V156 HydrophobicContact CZ-CG1 3.81Å; W126-V156 HydrophobicContact CB-CG1 4.42Å; W126-V156 HydrophobicContact CD2-CG1 4.43Å; W126-V156 HydrophobicContact CE3-CG1 3.85Å; C128-V156 HydrophobicContact CB-CG2 4.43Å; F142-V156 HydrophobicContact CE1-CG1 4.18Å; F142-V156 HydrophobicContact CE1-CG2 4.4Å; F142-V156 HydrophobicContact CZ-CG1 3.77Å; F142-V156 HydrophobicContact CZ-CG2 4.36Å; L148-V156 HydrophobicContact CD1-CG2 3.83Å; L148-V156 HydrophobicContact CD2-CG2 4.33Å; V154-V156 HydrophobicContact CG2-CG2 4.38Å
157Q97.9Very high95.4Very high11 Ų1144.4 Ų44.45%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-124.3141.6-171.6178.616878.300110.5P97 T99 W126 I127 Y159P97-Q157 HydrophobicContact CB-CG 3.79Å; P97-Q157 HydrophobicContact CG-CG 4.23Å; T99-Q157 HydrophobicContact CG2-CB 4.05Å; T99-Q157 HydrophobicContact CG2-CG 4.43Å; T99-Q157 WeakPolarHBondContact OG1-CG 3.3Å; T99-Q157 PolarHBondContact OG1-NE2 2.9Å; W126-Q157 CarbonylContact C-O 3.56Å; W126-Q157 WeakPolarHBondContact CA-O 3.3Å; I127-Q157 HydrophobicContact CG2-CB 3.93Å; I127-Q157 HydrophobicContact CG2-CG 4.38Å; I127-Q157 WeakPolarHBondContact CG2-O 2.96Å; I127-Q157 PolarHBondContact N-O 3.23Å; I127-Q157 PolarHBondContact O-N 2.97Å; Q157-Y159 PolarHBondContact O-N 3.3Å
158R96.5Very high95.5Very high95 Ų9541.3 Ų41.336%0.35823%0.23SC..EExtended strand (participates in β ladder)trans-64.9120.7173.5-172.2171.570.51661.6108.4P97 T98 W126P97-R158 WeakPolarHBondContact CB-O 3.4Å; T98-R158 PolarHBondContact O-N 2.76Å; W126-R158 HydrophobicContact CE3-CB 4.14Å; W126-R158 HydrophobicContact CH2-CB 4.36Å; W126-R158 HydrophobicContact CZ3-CB 3.91Å
159Y97.1Very high95.5Very high15 Ų1541.9 Ų41.96%0.05923%0.231CC..  trans-75.3137.9-176.7-179.6-101.2000110.4C125 I127 L141 Q157 S161 K170 Y202 L204 H213C125-Y159 HydrophobicContact CB-CD1 3.97Å; C125-Y159 HydrophobicContact CB-CG 4.38Å; C125-Y159 VanDerWaalsContact O-CB 3.3Å; C125-Y159 WeakPolarHBondContact O-CB 3.49Å; C125-Y159 PolarHBondContact O-N 3.26Å; I127-Y159 HydrophobicContact CB-CD2 4.03Å; I127-Y159 HydrophobicContact CD1-CD2 4.15Å; I127-Y159 HydrophobicContact CD1-CE2 4.45Å; I127-Y159 HydrophobicContact CG2-CD2 4.19Å; L141-Y159 HydrophobicContact CD2-CD1 4.09Å; L141-Y159 HydrophobicContact CD2-CD2 3.84Å; L141-Y159 HydrophobicContact CD2-CE1 3.9Å; L141-Y159 HydrophobicContact CD2-CE2 3.66Å; L141-Y159 HydrophobicContact CD2-CG 4.07Å; L141-Y159 HydrophobicContact CG-CD2 4.19Å; L141-Y159 HydrophobicContact CG-CE2 4.31Å; Q157-Y159 PolarHBondContact O-N 3.3Å; Y159-S161 PolarHBondContact O-N 2.95Å; Y159-S161 VanDerWaalsContact O-N 3.09Å; Y159-K170 PolarHBondContact OH-NZ 2.94Å; Y159-Y202 VanDerWaalsContact CE1-OH 3.31Å; Y159-Y202 WeakPolarHBondContact CE1-OH 3.4Å; Y159-Y202 VanDerWaalsContact OH-CE2 3.3Å; Y159-Y202 WeakPolarHBondContact OH-CE2 3.28Å; Y159-Y202 PolarHBondContact OH-OH 3.42Å; Y159-L204 HydrophobicContact CE1-CD2 4.18Å; Y159-H213 AromaticContact CZ-ND1 3.83Å; Y159-H213 PolarHBondContact OH-ND1 3.17Å
160I96.6Very high95.7Very high15 Ų1537.2 Ų37.28%0.07720%0.202CC..  trans-81.292.5177-61.6164.9000107.2P97 N162 L292 D294 W300 L302P97-I160 HydrophobicContact CG-CD1 3.9Å; P97-I160 HydrophobicContact CG-CG1 4.17Å; I160-N162 VanDerWaalsContact C-N 3.29Å; I160-N162 PolarHBondContact O-N 3.27Å; I160-L292 HydrophobicContact CB-CD2 3.79Å; I160-L292 HydrophobicContact CD1-CD2 3.8Å; I160-L292 HydrophobicContact CG1-CD2 4.39Å; I160-L292 HydrophobicContact CG2-CD2 3.89Å; I160-D294 HydrophobicContact CG2-CB 4.25Å; I160-W300 HydrophobicContact CD1-CB 3.52Å; I160-W300 HydrophobicContact CD1-CD2 3.86Å; I160-W300 HydrophobicContact CD1-CE3 4.45Å; I160-W300 HydrophobicContact CD1-CG 3.47Å; I160-W300 VanDerWaalsContact CD1-CG 3.47Å; I160-L302 HydrophobicContact CD1-CD2 4.31Å
161S95.1Very high96Very high24 Ų2433.8 Ų33.817%0.16819%0.189CC..SBendtrans-69-23.1-175.5-64.30000113.8S123 Y159 P163 Y202S123-S161 PolarHBondContact O-OG 3.04Å; Y159-S161 PolarHBondContact O-N 2.95Å; Y159-S161 VanDerWaalsContact O-N 3.09Å; S161-P163 WeakPolarHBondContact O-CD 3.31Å; S161-Y202 WeakPolarHBondContact O-CE1 3.4Å; S161-Y202 PolarHBondContact O-OH 3.45Å
162N95.9Very high96.3Very high69 Ų6926.2 Ų26.237%0.36915%0.148SC..SBendtrans-112.158.3-177.966.4-55000113.6I160 D294 T295I160-N162 VanDerWaalsContact C-N 3.29Å; I160-N162 PolarHBondContact O-N 3.27Å; N162-D294 WeakPolarHBondContact O-CA 2.98Å; N162-D294 WeakPolarHBondContact O-CB 3.3Å; N162-T295 HydrophobicContact CB-CG2 4.37Å; N162-T295 PolarHBondContact ND2-OG1 2.88Å; N162-T295 PolarHBondContact O-N 2.73Å
163P97.6Very high96.6Very high3 Ų323.6 Ų23.62%0.01913%0.13CC..BIsolated β-bridgetrans-64.3152.6173.432.3-35.5000110.6S161 L165 K170 Y202 L292 T295S161-P163 WeakPolarHBondContact O-CD 3.31Å; P163-L165 HydrophobicContact CG-CD2 3.93Å; P163-K170 HydrophobicContact CB-CG 4.19Å; P163-K170 HydrophobicContact CG-CD 4.28Å; P163-K170 HydrophobicContact CG-CG 4.15Å; P163-Y202 WeakPolarHBondContact CD-OH 3.46Å; P163-Y202 HydrophobicContact CG-CD1 4.22Å; P163-Y202 HydrophobicContact CG-CD2 4.36Å; P163-Y202 HydrophobicContact CG-CE1 3.76Å; P163-Y202 HydrophobicContact CG-CE2 3.95Å; P163-Y202 HydrophobicContact CG-CG 4.46Å; P163-L292 HydrophobicContact CB-CD1 3.99Å; P163-L292 HydrophobicContact CB-CD2 4.29Å; P163-L292 HydrophobicContact CB-CG 4.4Å; P163-T295 WeakPolarHBondContact O-CG2 3.4Å
164L97.1Very high96.7Very high23 Ų2322.2 Ų22.212%0.1212%0.118CC..  trans-62.2137.4162.3-178.961.8000108.8F171 I293 F297L164-F171 HydrophobicContact CB-CE1 4.21Å; L164-F171 HydrophobicContact CB-CZ 4.29Å; L164-F171 HydrophobicContact CD2-CE1 4.29Å; L164-F171 HydrophobicContact CD2-CZ 3.86Å; L164-F171 HydrophobicContact CG-CE1 3.99Å; L164-F171 HydrophobicContact CG-CZ 4.05Å; L164-F171 WeakPolarHBondContact O-CE1 3.39Å; L164-I293 HydrophobicContact CB-CB 4.34Å; L164-I293 HydrophobicContact CB-CG2 4.12Å; L164-I293 WeakPolarHBondContact CB-O 3.39Å; L164-I293 HydrophobicContact CD2-CB 4.36Å; L164-I293 HydrophobicContact CD2-CG2 3.83Å; L164-I293 PolarHBondContact N-O 3.31Å; L164-F297 HydrophobicContact CD1-CE1 4.02Å; L164-F297 HydrophobicContact CD1-CZ 4.23Å; L164-F297 HydrophobicContact CD2-CD1 4.04Å; L164-F297 HydrophobicContact CD2-CE1 3.6Å; L164-F297 HydrophobicContact CG-CE1 4.48Å
165L96.3Very high96.7Very high66 Ų6622.1 Ų22.135%0.34612%0.117SC..EExtended strand (participates in β ladder)trans-121.9144-177.9-57.6179.2000110.1P163 Y169 K170 Y202P163-L165 HydrophobicContact CG-CD2 3.93Å; L165-Y169 WeakPolarHBondContact CA-O 3.49Å; L165-K170 HydrophobicContact CD2-CB 4.06Å; L165-Y202 HydrophobicContact CD1-CD1 3.97Å; L165-Y202 HydrophobicContact CD1-CG 4.35Å; L165-Y202 HydrophobicContact CD2-CD1 3.96Å; L165-Y202 HydrophobicContact CD2-CG 3.78Å
166I94.6Very high96.8Very high3 Ų322 Ų222%0.01512%0.117CC..EExtended strand (participates in β ladder)trans-119123.4170.7-57.7178.2000107.6G168 Y169 F171 F197 V233 W239 F244 F247I166-G168 PolarHBondContact O-N 3.19Å; I166-Y169 PolarHBondContact N-O 3.45Å; I166-Y169 VanDerWaalsContact N-O 3.13Å; I166-Y169 PolarHBondContact O-N 2.7Å; I166-F171 HydrophobicContact CD1-CD1 4.17Å; I166-F171 HydrophobicContact CD1-CE1 3.82Å; I166-F171 HydrophobicContact CD1-CZ 4.18Å; I166-F171 HydrophobicContact CG1-CD1 4.08Å; I166-F171 HydrophobicContact CG1-CE1 3.7Å; I166-F171 HydrophobicContact CG1-CZ 4.46Å; I166-F197 HydrophobicContact CB-CE1 4.07Å; I166-F197 HydrophobicContact CD1-CE1 4.1Å; I166-F197 HydrophobicContact CD1-CZ 4.14Å; I166-F197 HydrophobicContact CG1-CE1 4.46Å; I166-V233 HydrophobicContact CG2-CG2 4.21Å; I166-W239 HydrophobicContact CD1-CH2 3.99Å; I166-W239 HydrophobicContact CD1-CZ3 3.73Å; I166-W239 HydrophobicContact CG2-CH2 3.85Å; I166-W239 HydrophobicContact CG2-CZ2 4.33Å; I166-F244 HydrophobicContact CD1-CD2 4.23Å; I166-F244 HydrophobicContact CD1-CE2 4.14Å; I166-F247 HydrophobicContact CD1-CD1 3.95Å; I166-F247 HydrophobicContact CD1-CE1 3.74Å; I166-F247 HydrophobicContact CD1-CZ 4.16Å; I166-F247 HydrophobicContact CG1-CE1 3.89Å; I166-F247 HydrophobicContact CG1-CZ 3.96Å; I166-F247 HydrophobicContact CG2-CE2 4.14Å; I166-F247 HydrophobicContact CG2-CZ 4.14Å
167S92.7Very high96.8Very high46 Ų4622 Ų2232%0.32212%0.117SC..THydrogen-bonded Turntrans50.926.4-171.9-660000114.3Y169 Q232S167-Y169 WeakPolarHBondContact O-CD2 3.33Å; S167-Q232 WeakPolarHBondContact OG-CB 3.43Å; S167-Q232 PolarHBondContact OG-N 2.97Å
168G94.4Very high96.8Very high28 Ų2821.5 Ų21.529%0.28911%0.114SC..THydrogen-bonded Turntrans82.83.9-176.900000115.7I166 Y202I166-G168 PolarHBondContact O-N 3.19Å; G168-Y202 PolarHBondContact O-N 3.5Å
169Y95.5Very high96.8Very high31 Ų3117 Ų1712%0.12210%0.097CC..EExtended strand (participates in β ladder)trans-95.9135.7175.6-63.2-86.6000111.1L165 I166 S167 A198 T199 E200 K201 K230 V233L165-Y169 WeakPolarHBondContact CA-O 3.49Å; I166-Y169 PolarHBondContact N-O 3.45Å; I166-Y169 VanDerWaalsContact N-O 3.13Å; I166-Y169 PolarHBondContact O-N 2.7Å; S167-Y169 WeakPolarHBondContact O-CD2 3.33Å; Y169-A198 WeakPolarHBondContact CD1-O 3.45Å; Y169-T199 WeakPolarHBondContact CE1-O 3.3Å; Y169-E200 WeakPolarHBondContact CD1-O 3.37Å; Y169-K201 HydrophobicContact CE1-CG 4.14Å; Y169-K201 HydrophobicContact CE2-CG 4.31Å; Y169-K230 HydrophobicContact CD1-CD 4.08Å; Y169-K230 HydrophobicContact CD2-CD 4.42Å; Y169-K230 HydrophobicContact CE1-CD 3.69Å; Y169-K230 HydrophobicContact CE1-CG 4.32Å; Y169-K230 HydrophobicContact CE2-CB 3.92Å; Y169-K230 HydrophobicContact CE2-CD 4.07Å; Y169-K230 HydrophobicContact CE2-CG 4.12Å; Y169-K230 HydrophobicContact CG-CD 4.44Å; Y169-V233 HydrophobicContact CD2-CG2 4.23Å
170K97.3Very high96.7Very high13 Ų1318.1 Ų18.16%0.05710%0.102CC..EExtended strand (participates in β ladder)trans-71.4145.5169.4179.9-179.1176.2-175.50109.5Y159 P163 L165 A198 Y202 H213 T215Y159-K170 PolarHBondContact OH-NZ 2.94Å; P163-K170 HydrophobicContact CB-CG 4.19Å; P163-K170 HydrophobicContact CG-CD 4.28Å; P163-K170 HydrophobicContact CG-CG 4.15Å; L165-K170 HydrophobicContact CD2-CB 4.06Å; K170-A198 HydrophobicContact CB-CB 4.14Å; K170-A198 VanDerWaalsContact O-CB 3.31Å; K170-A198 WeakPolarHBondContact O-CB 3.37Å; K170-A198 PolarHBondContact O-N 2.96Å; K170-Y202 HydrophobicContact CB-CD2 3.88Å; K170-Y202 HydrophobicContact CB-CG 4.41Å; K170-Y202 HydrophobicContact CD-CD2 4.07Å; K170-Y202 HydrophobicContact CD-CE2 3.95Å; K170-Y202 HydrophobicContact CG-CD2 4.47Å; K170-H213 PolarHBondContact NZ-O 2.83Å; K170-T215 HydrophobicContact CD-CG2 4.41Å; K170-T215 HydrophobicContact CG-CG2 4.07Å
171F97.6Very high96.6Very high1 Ų118.1 Ų18.10%0.00410%0.104CC..EExtended strand (participates in β ladder)trans-139.6167.1172.567.6-85.4000112L164 I166 L173 V195 R196 F197 F244 L292L164-F171 HydrophobicContact CB-CE1 4.21Å; L164-F171 HydrophobicContact CB-CZ 4.29Å; L164-F171 HydrophobicContact CD2-CE1 4.29Å; L164-F171 HydrophobicContact CD2-CZ 3.86Å; L164-F171 HydrophobicContact CG-CE1 3.99Å; L164-F171 HydrophobicContact CG-CZ 4.05Å; L164-F171 WeakPolarHBondContact O-CE1 3.39Å; I166-F171 HydrophobicContact CD1-CD1 4.17Å; I166-F171 HydrophobicContact CD1-CE1 3.82Å; I166-F171 HydrophobicContact CD1-CZ 4.18Å; I166-F171 HydrophobicContact CG1-CD1 4.08Å; I166-F171 HydrophobicContact CG1-CE1 3.7Å; I166-F171 HydrophobicContact CG1-CZ 4.46Å; F171-L173 HydrophobicContact CD2-CD2 4.3Å; F171-L173 HydrophobicContact CE2-CD2 4.14Å; F171-V195 HydrophobicContact CB-CG1 4.13Å; F171-V195 HydrophobicContact CD2-CG1 3.5Å; F171-V195 VanDerWaalsContact CD2-CG1 3.5Å; F171-V195 HydrophobicContact CE2-CG1 4.15Å; F171-V195 HydrophobicContact CG-CG1 4.03Å; F171-R196 CarbonylContact C-O 3.59Å; F171-R196 WeakPolarHBondContact CA-O 3.4Å; F171-R196 WeakPolarHBondContact CB-O 3.42Å; F171-F197 HydrophobicContact CB-CD1 3.68Å; F171-F197 HydrophobicContact CB-CE1 3.75Å; F171-F197 HydrophobicContact CB-CG 4.2Å; F171-F197 HydrophobicContact CB-CZ 4.35Å; F171-F197 HydrophobicContact CD1-CE1 4.14Å; F171-F197 HydrophobicContact CG-CD1 4.48Å; F171-F197 HydrophobicContact CG-CE1 4.1Å; F171-F244 HydrophobicContact CE2-CD2 4.5Å; F171-F244 AromaticContact CE2-CE2 3.68Å; F171-F244 HydrophobicContact CE2-CE2 3.68Å; F171-F244 AromaticContact CE2-CZ 3.82Å; F171-F244 HydrophobicContact CE2-CZ 3.82Å; F171-F244 AromaticContact CZ-CE2 3.63Å; F171-F244 HydrophobicContact CZ-CE2 3.63Å; F171-F244 AromaticContact CZ-CZ 3.94Å; F171-F244 HydrophobicContact CZ-CZ 3.94Å; F171-L292 WeakPolarHBondContact O-CD1 3.36Å
172D98.1Very high96.6Very high1 Ų117.4 Ų17.41%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-134163.116682.7-100.3000110.7V195 R196 T215D172-V195 CarbonylContact O-C 3.57Å; D172-V195 WeakPolarHBondContact O-CA 3.43Å; D172-R196 PolarHBondContact N-O 2.91Å; D172-R196 PolarHBondContact O-N 3.31Å; D172-R196 IonicContact OD1-CZ 2.68Å; D172-R196 IonicContact OD1-NE 2.67Å; D172-R196 PolarHBondContact OD1-NE 3.32Å; D172-R196 IonicContact OD1-NH2 3.88Å; D172-R196 PolarHBondContact OD1-NH2 3.17Å; D172-R196 IonicContact OD2-CZ 2.71Å; D172-R196 VanDerWaalsContact OD2-CZ 3.25Å; D172-R196 IonicContact OD2-NE 3.62Å; D172-R196 PolarHBondContact OD2-NE 3.38Å; D172-R196 IonicContact OD2-NH2 3.06Å; D172-R196 PolarHBondContact OD2-NH2 3.24Å; D172-T215 WeakPolarHBondContact OD1-CB 3.42Å; D172-T215 PolarHBondContact OD1-OG1 3.01Å
173L98.4Very high96.3Very high1 Ų116.6 Ų16.61%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-102.6115.9174.5-53.4-179.4000110F171 I175 V195 M241 F244 I262 F289 D290 I291 I293F171-L173 HydrophobicContact CD2-CD2 4.3Å; F171-L173 HydrophobicContact CE2-CD2 4.14Å; L173-I175 HydrophobicContact CB-CD1 4.35Å; L173-I175 HydrophobicContact CB-CG1 4.04Å; L173-I175 PolarHBondContact O-N 2.99Å; L173-V195 HydrophobicContact CD2-CB 4.17Å; L173-V195 HydrophobicContact CD2-CG1 4.01Å; L173-V195 HydrophobicContact CD2-CG2 3.53Å; L173-M241 HydrophobicContact CD1-CE 4.31Å; L173-M241 HydrophobicContact CD2-CE 4.16Å; L173-F244 HydrophobicContact CD1-CE1 4.15Å; L173-F244 HydrophobicContact CD2-CD1 4.05Å; L173-F244 HydrophobicContact CD2-CE1 3.92Å; L173-F244 HydrophobicContact CD2-CZ 4.38Å; L173-I262 HydrophobicContact CD1-CD1 3.95Å; L173-F289 VanDerWaalsContact O-O 3.09Å; L173-D290 WeakPolarHBondContact O-CA 3.24Å; L173-I291 HydrophobicContact CB-CB 4.42Å; L173-I291 PolarHBondContact N-O 2.75Å; L173-I291 PolarHBondContact O-N 3.38Å; L173-I293 HydrophobicContact CD1-CD1 3.67Å; L173-I293 HydrophobicContact CD1-CG1 4.35Å; L173-I293 HydrophobicContact CG-CD1 4.38Å
174R98.3Very high96.1Very high16 Ų1618.2 Ų18.26%0.0610%0.104CC..EExtended strand (participates in β ladder)trans-88.597.6164.5167.953.959.881.5-1.8108.7Y176 A193 L194 R196 F289 D290 N305R174-Y176 HydrophobicContact CG-CE1 4.29Å; R174-Y176 HydrophobicContact CG-CE2 4.36Å; R174-A193 VanDerWaalsContact O-CB 3.26Å; R174-A193 WeakPolarHBondContact O-CB 3.47Å; R174-L194 HydrophobicContact CB-CB 4.2Å; R174-L194 PolarHBondContact N-O 2.96Å; R174-L194 PolarHBondContact O-N 2.94Å; R174-R196 VanDerWaalsContact CZ-NH1 3.31Å; R174-F289 WeakPolarHBondContact CA-O 3.27Å; R174-D290 IonicContact CZ-OD1 3.98Å; R174-D290 IonicContact CZ-OD2 2.79Å; R174-D290 IonicContact NE-OD1 3.72Å; R174-D290 PolarHBondContact NE-OD1 2.88Å; R174-D290 IonicContact NH2-OD1 3.25Å; R174-D290 PolarHBondContact NH2-OD1 3.49Å; R174-D290 IonicContact NH2-OD2 3.85Å; R174-D290 PolarHBondContact NH2-OD2 3.31Å; R174-N305 PolarHBondContact NH2-ND2 2.91Å
175I98.5Very high96Very high0 Ų017.1 Ų17.10%010%0.098CC..EExtended strand (participates in β ladder)trans-93.8135.2-179.9-56.8-175.6000109.6L173 V177 I189 A193 W259 I262 G288 F289 I291L173-I175 HydrophobicContact CB-CD1 4.35Å; L173-I175 HydrophobicContact CB-CG1 4.04Å; L173-I175 PolarHBondContact O-N 2.99Å; I175-V177 HydrophobicContact CG2-CG2 4.18Å; I175-I189 HydrophobicContact CG2-CG2 3.47Å; I175-I189 VanDerWaalsContact CG2-CG2 3.47Å; I175-A193 HydrophobicContact CG1-CB 4.43Å; I175-W259 HydrophobicContact CD1-CH2 4.07Å; I175-W259 HydrophobicContact CD1-CZ3 3.87Å; I175-W259 HydrophobicContact CG2-CH2 4.22Å; I175-I262 HydrophobicContact CD1-CD1 4.34Å; I175-I262 HydrophobicContact CD1-CG2 3.37Å; I175-G288 CarbonylContact O-C 3.53Å; I175-G288 WeakPolarHBondContact O-CA 3.22Å; I175-F289 HydrophobicContact CB-CB 4.36Å; I175-F289 PolarHBondContact N-O 3.3Å; I175-F289 PolarHBondContact O-N 2.9Å; I175-I291 HydrophobicContact CD1-CD1 3.91Å; I175-I291 HydrophobicContact CD1-CG1 4.49Å
176Y98.6Very high95.9Very high1 Ų114.4 Ų14.40%0.0049%0.085CC..EExtended strand (participates in β ladder)trans-98.3120.5179.6-63.8-74.8000110.5R174 H190 L194 P308 V320 K321 L324R174-Y176 HydrophobicContact CG-CE1 4.29Å; R174-Y176 HydrophobicContact CG-CE2 4.36Å; Y176-H190 PolarHBondContact O-N 3.29Å; Y176-L194 HydrophobicContact CE2-CG 4.34Å; Y176-L194 WeakPolarHBondContact OH-CD1 3.23Å; Y176-P308 HydrophobicContact CD1-CB 4.49Å; Y176-P308 HydrophobicContact CD1-CG 4.37Å; Y176-P308 HydrophobicContact CE1-CB 4.05Å; Y176-P308 HydrophobicContact CE1-CG 4.29Å; Y176-V320 HydrophobicContact CD2-CG1 4.37Å; Y176-V320 HydrophobicContact CE2-CG1 3.88Å; Y176-K321 VanDerWaalsContact OH-CE 3.25Å; Y176-K321 WeakPolarHBondContact OH-CE 3.27Å; Y176-L324 HydrophobicContact CD1-CD1 4.48Å; Y176-L324 HydrophobicContact CD1-CD2 3.4Å; Y176-L324 VanDerWaalsContact CD1-CD2 3.4Å; Y176-L324 HydrophobicContact CD2-CD1 4.31Å; Y176-L324 HydrophobicContact CD2-CD2 3.77Å; Y176-L324 HydrophobicContact CE1-CD2 3.6Å; Y176-L324 HydrophobicContact CE2-CD2 3.98Å; Y176-L324 HydrophobicContact CG-CD1 3.9Å; Y176-L324 HydrophobicContact CG-CD2 3.47Å; Y176-L324 VanDerWaalsContact CG-CD2 3.47Å; Y176-L324 HydrophobicContact CG-CG 4.34Å
177V98.7Very high96Very high0 Ų014.3 Ų14.30%08%0.084CC..EExtended strand (participates in β ladder)trans-122.9120.5-175.3-176.70000108.4I175 V187 Y188 I189 V266 L270 F287 F289I175-V177 HydrophobicContact CG2-CG2 4.18Å; V177-V187 HydrophobicContact CG1-CG1 3.57Å; V177-Y188 CarbonylContact C-O 3.51Å; V177-Y188 WeakPolarHBondContact CA-O 3.22Å; V177-I189 HydrophobicContact CG1-CG1 4.19Å; V177-I189 HydrophobicContact CG2-CD1 4.42Å; V177-I189 HydrophobicContact CG2-CG1 4.03Å; V177-V266 HydrophobicContact CB-CG1 4.39Å; V177-V266 HydrophobicContact CG1-CG1 3.61Å; V177-V266 HydrophobicContact CG2-CG1 3.94Å; V177-V266 HydrophobicContact CG2-CG2 4.03Å; V177-L270 HydrophobicContact CG1-CD1 4.49Å; V177-F287 HydrophobicContact CB-CB 4.32Å; V177-F287 PolarHBondContact N-O 3.13Å; V177-F287 PolarHBondContact O-N 3.12Å; V177-F289 HydrophobicContact CB-CD2 3.92Å; V177-F289 HydrophobicContact CB-CE2 3.96Å; V177-F289 HydrophobicContact CG1-CE2 4.28Å; V177-F289 HydrophobicContact CG2-CB 4.5Å; V177-F289 HydrophobicContact CG2-CD2 3.4Å; V177-F289 VanDerWaalsContact CG2-CD2 3.4Å; V177-F289 HydrophobicContact CG2-CE2 3.82Å; V177-F289 HydrophobicContact CG2-CG 4.1Å
178C98Very high96.3Very high0 Ų012.2 Ų12.20%07%0.069CC..EExtended strand (participates in β ladder)trans-99.3122.7173178.40000109.9Y188 V284 E285 L328 L331 F495C178-Y188 PolarHBondContact N-O 3.34Å; C178-Y188 PolarHBondContact O-N 3.39Å; C178-V284 WeakPolarHBondContact SG-CG2 3.46Å; C178-E285 CarbonylContact C-O 3.59Å; C178-E285 WeakPolarHBondContact CA-O 3.28Å; C178-L328 HydrophobicContact CB-CD1 4.2Å; C178-L328 VanDerWaalsContact SG-CD1 3.51Å; C178-L331 HydrophobicContact CB-CD2 3.95Å; C178-L331 VanDerWaalsContact SG-CD2 3.54Å; C178-F495 HydrophobicContact CB-CD1 3.91Å; C178-F495 HydrophobicContact CB-CE1 3.43Å; C178-F495 VanDerWaalsContact CB-CE1 3.43Å; C178-F495 HydrophobicContact CB-CZ 3.87Å
179V97.5Very high96.4Very high0 Ų010.9 Ų10.90%06%0.055CC..EExtended strand (participates in β ladder)trans-99.9119.8167.3-177.40000108.3S181 F182 L185 V187 L270 V284 E285 F287V179-S181 VanDerWaalsContact CG1-O 3.32Å; V179-S181 WeakPolarHBondContact CG1-O 3.33Å; V179-F182 HydrophobicContact CB-CE2 4.27Å; V179-F182 HydrophobicContact CB-CZ 4.45Å; V179-F182 HydrophobicContact CG1-CD2 3.82Å; V179-F182 HydrophobicContact CG1-CE1 4.34Å; V179-F182 HydrophobicContact CG1-CE2 3.56Å; V179-F182 HydrophobicContact CG1-CG 4.34Å; V179-F182 HydrophobicContact CG1-CZ 3.86Å; V179-L185 HydrophobicContact CG1-CD1 4.3Å; V179-V187 HydrophobicContact CG2-CG1 4.44Å; V179-V187 HydrophobicContact CG2-CG2 4.4Å; V179-L270 HydrophobicContact CG2-CD1 3.77Å; V179-L270 HydrophobicContact CG2-CD2 3.83Å; V179-L270 HydrophobicContact CG2-CG 4.48Å; V179-V284 WeakPolarHBondContact O-CA 3.48Å; V179-E285 PolarHBondContact N-O 2.93Å; V179-E285 PolarHBondContact O-N 3.03Å; V179-F287 HydrophobicContact CB-CE2 4.43Å; V179-F287 HydrophobicContact CG2-CD2 3.98Å; V179-F287 HydrophobicContact CG2-CE2 3.77Å
180K94.8Very high96.5Very high39 Ų399.7 Ų9.717%0.175%0.051CC..EExtended strand (participates in β ladder)trans-95.5-24.9-176.1-17566.6-157.479.50113.1T186 Y188 P281 C283 V284 L331K180-T186 HydrophobicContact CB-CG2 4.33Å; K180-T186 PolarHBondContact N-O 3.1Å; K180-Y188 HydrophobicContact CB-CE2 4.45Å; K180-P281 PolarHBondContact NZ-O 2.74Å; K180-C283 PolarHBondContact NZ-O 2.8Å; K180-V284 HydrophobicContact CD-CG2 4.2Å; K180-L331 HydrophobicContact CD-CG 4.49Å; K180-L331 WeakPolarHBondContact CD-O 3.29Å; K180-L331 WeakPolarHBondContact CE-O 3.46Å
181S94Very high96.4Very high15 Ų1511.4 Ų11.411%0.1056%0.059CC..EExtended strand (participates in β ladder)trans-159.2157.5169-175.30000109.9V179 N183 P184 L185 T186V179-S181 VanDerWaalsContact CG1-O 3.32Å; V179-S181 WeakPolarHBondContact CG1-O 3.33Å; S181-N183 PolarHBondContact OG-N 3.48Å; S181-N183 PolarHBondContact OG-O 3.29Å; S181-P184 WeakPolarHBondContact CB-O 3.47Å; S181-P184 PolarHBondContact OG-O 3.15Å; S181-L185 WeakPolarHBondContact O-CA 3.44Å; S181-T186 PolarHBondContact O-N 3.03Å
182F93.9Very high96.3Very high9 Ų912.5 Ų12.54%0.0396%0.064CC..EExtended strand (participates in β ladder)trans-102.6-8.9167-77.6-89.7000112.8H65 T68 V179 L185 L270 I273 T274 V277H65-F182 HydrophobicContact CB-CD2 4.26Å; H65-F182 HydrophobicContact CB-CE2 3.87Å; H65-F182 AromaticContact CD2-CD2 3.95Å; H65-F182 AromaticContact CD2-CE2 3.77Å; H65-F182 AromaticContact CG-CD2 3.81Å; H65-F182 AromaticContact CG-CE2 3.74Å; H65-F182 AromaticContact ND1-CD2 3.85Å; T68-F182 HydrophobicContact CG2-CE2 4.48Å; V179-F182 HydrophobicContact CB-CE2 4.27Å; V179-F182 HydrophobicContact CB-CZ 4.45Å; V179-F182 HydrophobicContact CG1-CD2 3.82Å; V179-F182 HydrophobicContact CG1-CE1 4.34Å; V179-F182 HydrophobicContact CG1-CE2 3.56Å; V179-F182 HydrophobicContact CG1-CG 4.34Å; V179-F182 HydrophobicContact CG1-CZ 3.86Å; F182-L185 HydrophobicContact CD1-CD1 3.85Å; F182-L185 HydrophobicContact CE1-CD1 4.23Å; F182-L185 HydrophobicContact CG-CD1 4.46Å; F182-L185 PolarHBondContact O-N 3.47Å; F182-L270 HydrophobicContact CE1-CD2 4.3Å; F182-L270 HydrophobicContact CZ-CD2 4.3Å; F182-I273 HydrophobicContact CE1-CD1 4.07Å; F182-I273 HydrophobicContact CE1-CG1 4.19Å; F182-I273 HydrophobicContact CZ-CD1 4.07Å; F182-T274 HydrophobicContact CB-CG2 4.48Å; F182-T274 HydrophobicContact CD1-CG2 4.13Å; F182-T274 WeakPolarHBondContact O-CG2 3.25Å; F182-V277 HydrophobicContact CB-CB 4.19Å; F182-V277 HydrophobicContact CB-CG1 4Å; F182-V277 HydrophobicContact CD1-CB 4.21Å; F182-V277 HydrophobicContact CD1-CG1 4.44Å; F182-V277 HydrophobicContact CD1-CG2 4.23Å; F182-V277 HydrophobicContact CD2-CB 4.23Å; F182-V277 HydrophobicContact CD2-CG1 3.58Å; F182-V277 HydrophobicContact CD2-CG2 4.49Å; F182-V277 HydrophobicContact CE1-CG2 4.22Å; F182-V277 HydrophobicContact CE2-CG1 4.1Å; F182-V277 HydrophobicContact CE2-CG2 4.46Å; F182-V277 HydrophobicContact CG-CB 3.96Å; F182-V277 HydrophobicContact CG-CG1 3.75Å; F182-V277 HydrophobicContact CG-CG2 4.35Å; F182-V277 HydrophobicContact CZ-CG2 4.32Å
183N90.5Very high96.3Very high53 Ų5312.4 Ų12.428%0.2836%0.064SC..THydrogen-bonded Turntrans-143.2105.1176.1178.941.8000110.5S181 D279 V511S181-N183 PolarHBondContact OG-N 3.48Å; S181-N183 PolarHBondContact OG-O 3.29Å; N183-D279 HydrophobicContact CB-CB 4.31Å; N183-D279 PolarHBondContact ND2-OD2 2.92Å; N183-V511 PolarHBondContact OD1-N 2.71Å
184P92.8Very high96.3Very high37 Ų3712.6 Ų12.624%0.246%0.064CC..THydrogen-bonded Turncis-57.2145.8-19.927.2-33.8000111.4S181 T186 L506 S509 R510S181-P184 WeakPolarHBondContact CB-O 3.47Å; S181-P184 PolarHBondContact OG-O 3.15Å; P184-T186 PolarHBondContact O-N 3.3Å; P184-T186 VanDerWaalsContact O-N 3.16Å; P184-T186 PolarHBondContact O-OG1 3.06Å; P184-L506 HydrophobicContact CB-CD1 4.26Å; P184-L506 HydrophobicContact CG-CD1 4.33Å; P184-S509 WeakPolarHBondContact CA-O 3.45Å; P184-S509 WeakPolarHBondContact CB-OG 3.34Å; P184-R510 HydrophobicContact CB-CG 3.94Å; P184-R510 HydrophobicContact CG-CG 4.42Å
185L94.9Very high96.2Very high0 Ų011.8 Ų11.80%06%0.062CC..EExtended strand (participates in β ladder)trans-55.6124.5172.5176.364.7000108.8V179 S181 F182 V187 L271 T274 F499V179-L185 HydrophobicContact CG1-CD1 4.3Å; S181-L185 WeakPolarHBondContact O-CA 3.44Å; F182-L185 HydrophobicContact CD1-CD1 3.85Å; F182-L185 HydrophobicContact CE1-CD1 4.23Å; F182-L185 HydrophobicContact CG-CD1 4.46Å; F182-L185 PolarHBondContact O-N 3.47Å; L185-V187 HydrophobicContact CD1-CG2 3.74Å; L185-V187 HydrophobicContact CD2-CG2 4.4Å; L185-V187 HydrophobicContact CG-CG2 3.88Å; L185-L271 HydrophobicContact CD2-CD2 3.95Å; L185-T274 HydrophobicContact CB-CG2 4.2Å; L185-T274 HydrophobicContact CD2-CG2 4.49Å; L185-F499 HydrophobicContact CB-CD1 3.99Å; L185-F499 HydrophobicContact CB-CE1 3.75Å; L185-F499 HydrophobicContact CD2-CD1 3.85Å; L185-F499 HydrophobicContact CD2-CE1 3.91Å; L185-F499 HydrophobicContact CD2-CG 4.41Å; L185-F499 HydrophobicContact CD2-CZ 4.45Å; L185-F499 HydrophobicContact CG-CD1 3.7Å; L185-F499 HydrophobicContact CG-CE1 3.91Å; L185-F499 WeakPolarHBondContact O-CD1 3.27Å; L185-F499 WeakPolarHBondContact O-CE1 3.44Å
186T95.3Very high96.1Very high9 Ų912.5 Ų12.56%0.0556%0.064CC..EExtended strand (participates in β ladder)trans-138.7113.4-175.9-54.10000108.6K180 S181 P184 Y188 P488 F499K180-T186 HydrophobicContact CB-CG2 4.33Å; K180-T186 PolarHBondContact N-O 3.1Å; S181-T186 PolarHBondContact O-N 3.03Å; P184-T186 PolarHBondContact O-N 3.3Å; P184-T186 VanDerWaalsContact O-N 3.16Å; P184-T186 PolarHBondContact O-OG1 3.06Å; T186-Y188 HydrophobicContact CG2-CD2 4.42Å; T186-Y188 HydrophobicContact CG2-CE2 3.72Å; T186-P488 HydrophobicContact CG2-CB 3.91Å; T186-P488 HydrophobicContact CG2-CG 3.78Å; T186-F499 CarbonylContact C-O 3.39Å; T186-F499 WeakPolarHBondContact CA-O 3.49Å
187V97.2Very high95.9Very high0 Ų012.6 Ų12.60%07%0.065CC..EExtended strand (participates in β ladder)trans-127.9130.5-168.2-169.70000109.6V177 V179 L185 V266 L270 T498 F499V177-V187 HydrophobicContact CG1-CG1 3.57Å; V179-V187 HydrophobicContact CG2-CG1 4.44Å; V179-V187 HydrophobicContact CG2-CG2 4.4Å; L185-V187 HydrophobicContact CD1-CG2 3.74Å; L185-V187 HydrophobicContact CD2-CG2 4.4Å; L185-V187 HydrophobicContact CG-CG2 3.88Å; V187-V266 HydrophobicContact CG1-CG1 4.22Å; V187-L270 HydrophobicContact CB-CD1 4.29Å; V187-L270 HydrophobicContact CG1-CD1 3.65Å; V187-L270 HydrophobicContact CG2-CD1 3.58Å; V187-T498 PolarHBondContact O-N 3.48Å; V187-T498 PolarHBondContact O-OG1 2.92Å; V187-F499 HydrophobicContact CB-CB 3.97Å; V187-F499 HydrophobicContact CG2-CB 3.99Å; V187-F499 PolarHBondContact N-O 3.33Å; V187-F499 PolarHBondContact O-N 3.09Å
188Y97.6Very high95.8Very high3 Ų312.6 Ų12.61%0.0127%0.065CC..EExtended strand (participates in β ladder)trans-118.9142.1172.4-68.2-99.1000109.1V177 C178 K180 T186 L331 P488 P489 F495 I496 R497V177-Y188 CarbonylContact C-O 3.51Å; V177-Y188 WeakPolarHBondContact CA-O 3.22Å; C178-Y188 PolarHBondContact N-O 3.34Å; C178-Y188 PolarHBondContact O-N 3.39Å; K180-Y188 HydrophobicContact CB-CE2 4.45Å; T186-Y188 HydrophobicContact CG2-CD2 4.42Å; T186-Y188 HydrophobicContact CG2-CE2 3.72Å; Y188-L331 HydrophobicContact CD1-CD1 4.42Å; Y188-L331 HydrophobicContact CD1-CD2 4.41Å; Y188-L331 HydrophobicContact CD2-CD1 3.99Å; Y188-L331 HydrophobicContact CD2-CD2 3.85Å; Y188-L331 HydrophobicContact CE1-CD1 4.18Å; Y188-L331 HydrophobicContact CE2-CD1 3.7Å; Y188-L331 HydrophobicContact CE2-CD2 4.42Å; Y188-L331 HydrophobicContact CG-CD1 4.36Å; Y188-L331 HydrophobicContact CG-CD2 3.87Å; Y188-P488 VanDerWaalsContact OH-CB 3.29Å; Y188-P488 WeakPolarHBondContact OH-CB 3.39Å; Y188-P489 VanDerWaalsContact CE1-O 3.23Å; Y188-P489 WeakPolarHBondContact CE1-O 3.42Å; Y188-P489 WeakPolarHBondContact OH-CD 3.39Å; Y188-P489 PolarHBondContact OH-O 3Å; Y188-F495 HydrophobicContact CD1-CB 4.07Å; Y188-F495 HydrophobicContact CG-CB 4.33Å; Y188-I496 CarbonylContact C-O 3.55Å; Y188-I496 VanDerWaalsContact CA-O 3.25Å; Y188-I496 WeakPolarHBondContact CA-O 3.24Å; Y188-R497 HydrophobicContact CD1-CB 4Å; Y188-R497 HydrophobicContact CE1-CB 3.61Å; Y188-R497 HydrophobicContact CE1-CG 4.26Å
189I97.8Very high95.5Very high0 Ų012.6 Ų12.60%07%0.065CC..EExtended strand (participates in β ladder)trans-117.1134.5169-57.4-179.9000107.5I175 V177 W259 V266 I496 T498 W554I175-I189 HydrophobicContact CG2-CG2 3.47Å; I175-I189 VanDerWaalsContact CG2-CG2 3.47Å; V177-I189 HydrophobicContact CG1-CG1 4.19Å; V177-I189 HydrophobicContact CG2-CD1 4.42Å; V177-I189 HydrophobicContact CG2-CG1 4.03Å; I189-W259 HydrophobicContact CG2-CH2 4.19Å; I189-W259 HydrophobicContact CG2-CZ2 3.81Å; I189-V266 HydrophobicContact CD1-CB 4.01Å; I189-V266 HydrophobicContact CD1-CG1 4.01Å; I189-V266 HydrophobicContact CD1-CG2 3.86Å; I189-V266 HydrophobicContact CG1-CG1 4.45Å; I189-I496 PolarHBondContact N-O 2.72Å; I189-I496 PolarHBondContact O-N 2.91Å; I189-T498 HydrophobicContact CB-CG2 3.75Å; I189-T498 HydrophobicContact CD1-CG2 3.78Å; I189-T498 HydrophobicContact CG1-CG2 3.5Å; I189-W554 HydrophobicContact CB-CH2 4.01Å; I189-W554 HydrophobicContact CB-CZ3 4.5Å
190H97.5Very high95.3Very high6 Ų614.5 Ų14.53%0.0287%0.074CC..EExtended strand (participates in β ladder)trans-73.1134178.1-164.9-105.4000110.3Y176 E192 L324 D327 G494 F495Y176-H190 PolarHBondContact O-N 3.29Å; H190-E192 PolarHBondContact ND1-N 3.1Å; H190-E192 PolarHBondContact ND1-O 3.05Å; H190-E192 PolarHBondContact O-N 2.96Å; H190-L324 HydrophobicContact CB-CD1 3.73Å; H190-D327 IonicContact NE2-OD2 3.18Å; H190-D327 PolarHBondContact NE2-OD2 2.87Å; H190-G494 CarbonylContact C-O 3.55Å; H190-G494 WeakPolarHBondContact CA-O 3.38Å; H190-G494 VanDerWaalsContact CD2-C 3.5Å; H190-F495 HydrophobicContact CB-CD1 3.97Å; H190-F495 HydrophobicContact CB-CE1 3.8Å; H190-F495 HydrophobicContact CB-CZ 4.28Å; H190-F495 AromaticContact CD2-CD2 3.95Å; H190-F495 AromaticContact CD2-CE2 3.96Å
191Q94.8Very high95.2Very high48 Ų4819.2 Ų19.222%0.2249%0.094CC..SBendtrans-58.9-32.5179.366.9-175.2-7.500112.2M241 G494 I496 G555 P556Q191-M241 WeakPolarHBondContact O-CG 3.29Å; Q191-G494 WeakPolarHBondContact CG-O 3.29Å; Q191-G494 PolarHBondContact N-O 3.26Å; Q191-I496 HydrophobicContact CB-CD1 4Å; Q191-G555 PolarHBondContact OE1-O 2.84Å; Q191-G555 VanDerWaalsContact OE1-O 3.04Å; Q191-P556 VanDerWaalsContact OE1-CA 3.29Å
192E96.3Very high95.3Very high24 Ų2420.1 Ų20.111%0.11210%0.095CC..  trans-99.2142.5175.4-89.6-58.6147.600113.2H190 T240 M241 S242 V320H190-E192 PolarHBondContact ND1-N 3.1Å; H190-E192 PolarHBondContact ND1-O 3.05Å; H190-E192 PolarHBondContact O-N 2.96Å; E192-T240 WeakPolarHBondContact OE2-CA 3.32Å; E192-T240 VanDerWaalsContact OE2-CB 3.26Å; E192-T240 WeakPolarHBondContact OE2-CB 3.44Å; E192-M241 PolarHBondContact OE2-N 3.27Å; E192-S242 WeakPolarHBondContact OE1-CB 3.47Å; E192-S242 PolarHBondContact OE1-N 3.25Å; E192-S242 PolarHBondContact OE1-OG 2.81Å; E192-V320 HydrophobicContact CB-CG1 4.21Å; E192-V320 HydrophobicContact CB-CG2 4.35Å
193A97.1Very high95.3Very high0 Ų023.5 Ų23.50%011%0.114CC..  trans-154.7165.2-173.700000109.5R174 I175 T240 M241R174-A193 VanDerWaalsContact O-CB 3.26Å; R174-A193 WeakPolarHBondContact O-CB 3.47Å; I175-A193 HydrophobicContact CG1-CB 4.43Å; A193-T240 CarbonylContact O-C 3.52Å; A193-M241 HydrophobicContact CB-CB 4.04Å; A193-M241 HydrophobicContact CB-CE 3.62Å; A193-M241 HydrophobicContact CB-CG 4.47Å; A193-M241 PolarHBondContact O-N 3.42Å; A193-M241 VanDerWaalsContact O-N 3.08Å
194L97.5Very high95.4Very high4 Ų423.4 Ų23.42%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-102.3117.5-178.6-67.4177000111.3R174 Y176 R196 T316 V320R174-L194 HydrophobicContact CB-CB 4.2Å; R174-L194 PolarHBondContact N-O 2.96Å; R174-L194 PolarHBondContact O-N 2.94Å; Y176-L194 HydrophobicContact CE2-CG 4.34Å; Y176-L194 WeakPolarHBondContact OH-CD1 3.23Å; L194-R196 HydrophobicContact CB-CG 4.28Å; L194-T316 HydrophobicContact CD2-CG2 3.96Å; L194-V320 HydrophobicContact CD2-CB 4.08Å; L194-V320 HydrophobicContact CD2-CG1 4.35Å; L194-V320 HydrophobicContact CD2-CG2 3.92Å; L194-V320 HydrophobicContact CG-CG1 4.37Å
195V97.4Very high95.3Very high0 Ų026.8 Ų26.80%014%0.138CC..EExtended strand (participates in β ladder)trans-85.5114.1167.3-173.70000107.9F171 D172 L173 F197 K238 W239 F244F171-V195 HydrophobicContact CB-CG1 4.13Å; F171-V195 HydrophobicContact CD2-CG1 3.5Å; F171-V195 VanDerWaalsContact CD2-CG1 3.5Å; F171-V195 HydrophobicContact CE2-CG1 4.15Å; F171-V195 HydrophobicContact CG-CG1 4.03Å; D172-V195 CarbonylContact O-C 3.57Å; D172-V195 WeakPolarHBondContact O-CA 3.43Å; L173-V195 HydrophobicContact CD2-CB 4.17Å; L173-V195 HydrophobicContact CD2-CG1 4.01Å; L173-V195 HydrophobicContact CD2-CG2 3.53Å; V195-F197 HydrophobicContact CB-CE2 4.33Å; V195-F197 HydrophobicContact CG1-CE2 3.82Å; V195-F197 HydrophobicContact CG1-CZ 3.82Å; V195-K238 CarbonylContact O-C 3.57Å; V195-K238 WeakPolarHBondContact O-CA 3.35Å; V195-W239 HydrophobicContact CB-CB 4.12Å; V195-W239 PolarHBondContact N-O 3.38Å; V195-W239 PolarHBondContact O-N 3.19Å; V195-F244 HydrophobicContact CG2-CB 3.62Å; V195-F244 HydrophobicContact CG2-CD1 4.3Å; V195-F244 HydrophobicContact CG2-CD2 4.45Å; V195-F244 HydrophobicContact CG2-CG 3.89Å
196R95.8Very high95.1Very high15 Ų1529 Ų296%0.05715%0.154CC..EExtended strand (participates in β ladder)trans-107.8120.5-170.2-55.4-177.3-60.4-172.1-0110.5F171 D172 R174 L194 D290F171-R196 CarbonylContact C-O 3.59Å; F171-R196 WeakPolarHBondContact CA-O 3.4Å; F171-R196 WeakPolarHBondContact CB-O 3.42Å; D172-R196 PolarHBondContact N-O 2.91Å; D172-R196 PolarHBondContact O-N 3.31Å; D172-R196 IonicContact OD1-CZ 2.68Å; D172-R196 IonicContact OD1-NE 2.67Å; D172-R196 PolarHBondContact OD1-NE 3.32Å; D172-R196 IonicContact OD1-NH2 3.88Å; D172-R196 PolarHBondContact OD1-NH2 3.17Å; D172-R196 IonicContact OD2-CZ 2.71Å; D172-R196 VanDerWaalsContact OD2-CZ 3.25Å; D172-R196 IonicContact OD2-NE 3.62Å; D172-R196 PolarHBondContact OD2-NE 3.38Å; D172-R196 IonicContact OD2-NH2 3.06Å; D172-R196 PolarHBondContact OD2-NH2 3.24Å; R174-R196 VanDerWaalsContact CZ-NH1 3.31Å; L194-R196 HydrophobicContact CB-CG 4.28Å; R196-D290 IonicContact CZ-OD2 3.59Å; R196-D290 IonicContact NH1-OD2 3.98Å; R196-D290 IonicContact NH2-OD1 2.74Å; R196-D290 IonicContact NH2-OD2 2.77Å; R196-D290 PolarHBondContact NH2-OD2 3.47Å
197F95.5Very high94.9Very high2 Ų230 Ų301%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-95143.8-176.8-67.1-88.6000112.6I166 F171 V195 V233 C237 W239I166-F197 HydrophobicContact CB-CE1 4.07Å; I166-F197 HydrophobicContact CD1-CE1 4.1Å; I166-F197 HydrophobicContact CD1-CZ 4.14Å; I166-F197 HydrophobicContact CG1-CE1 4.46Å; F171-F197 HydrophobicContact CB-CD1 3.68Å; F171-F197 HydrophobicContact CB-CE1 3.75Å; F171-F197 HydrophobicContact CB-CG 4.2Å; F171-F197 HydrophobicContact CB-CZ 4.35Å; F171-F197 HydrophobicContact CD1-CE1 4.14Å; F171-F197 HydrophobicContact CG-CD1 4.48Å; F171-F197 HydrophobicContact CG-CE1 4.1Å; V195-F197 HydrophobicContact CB-CE2 4.33Å; V195-F197 HydrophobicContact CG1-CE2 3.82Å; V195-F197 HydrophobicContact CG1-CZ 3.82Å; F197-V233 HydrophobicContact CB-CG1 4.36Å; F197-V233 HydrophobicContact CD1-CG1 4.01Å; F197-V233 HydrophobicContact CD1-CG2 4.02Å; F197-V233 HydrophobicContact CD2-CG1 3.78Å; F197-V233 HydrophobicContact CE1-CG1 4.28Å; F197-V233 HydrophobicContact CE1-CG2 3.95Å; F197-V233 HydrophobicContact CE2-CG1 4.04Å; F197-V233 HydrophobicContact CG-CG1 3.76Å; F197-V233 HydrophobicContact CZ-CG1 4.29Å; F197-V233 HydrophobicContact CZ-CG2 4.44Å; F197-C237 HydrophobicContact CB-CB 4.32Å; F197-C237 PolarHBondContact N-O 3.21Å; F197-W239 HydrophobicContact CE2-CB 4.2Å; F197-W239 AromaticContact CE2-CD1 3.76Å; F197-W239 AromaticContact CE2-CD2 3.7Å; F197-W239 HydrophobicContact CE2-CD2 3.7Å; F197-W239 AromaticContact CE2-CE2 3.95Å; F197-W239 HydrophobicContact CE2-CE3 4.3Å; F197-W239 AromaticContact CE2-CG 3.62Å; F197-W239 HydrophobicContact CE2-CG 3.62Å; F197-W239 AromaticContact CE2-NE1 3.91Å; F197-W239 AromaticContact CZ-CD2 3.71Å; F197-W239 HydrophobicContact CZ-CD2 3.71Å; F197-W239 AromaticContact CZ-CE2 3.85Å; F197-W239 AromaticContact CZ-CE3 3.93Å; F197-W239 HydrophobicContact CZ-CE3 3.93Å; F197-W239 HydrophobicContact CZ-CG 4.15Å; F197-W239 HydrophobicContact CZ-CH2 4.48Å; F197-W239 HydrophobicContact CZ-CZ2 4.26Å; F197-W239 HydrophobicContact CZ-CZ3 4.31Å
198A94.9Very high94.6Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-58151.3157.500000110.4Y169 K170 F211 T215Y169-A198 WeakPolarHBondContact CD1-O 3.45Å; K170-A198 HydrophobicContact CB-CB 4.14Å; K170-A198 VanDerWaalsContact O-CB 3.31Å; K170-A198 WeakPolarHBondContact O-CB 3.37Å; K170-A198 PolarHBondContact O-N 2.96Å; A198-F211 WeakPolarHBondContact CB-O 3.47Å; A198-T215 HydrophobicContact CB-CG2 4.4Å
199T92.3Very high94.4Very high0 Ų036.5 Ų36.50%020%0.201CC..EExtended strand (participates in β ladder)trans-90.6-18.7179.937.30000114.1Y169 F211 N220 Y226 K230 C237Y169-T199 WeakPolarHBondContact CE1-O 3.3Å; T199-F211 PolarHBondContact N-O 3.04Å; T199-F211 WeakPolarHBondContact OG1-CB 3.26Å; T199-N220 WeakPolarHBondContact CB-OD1 3.3Å; T199-N220 HydrophobicContact CG2-CB 3.82Å; T199-N220 PolarHBondContact N-OD1 3.47Å; T199-N220 PolarHBondContact OG1-OD1 3.36Å; T199-Y226 HydrophobicContact CG2-CD2 3.91Å; T199-K230 WeakPolarHBondContact O-CE 3.25Å; T199-C237 HydrophobicContact CG2-CB 4.47Å; T199-C237 WeakPolarHBondContact CG2-SG 3.33Å
200E93.3Very high94.2Very high41 Ų4139 Ų3919%0.19222%0.217CC..EExtended strand (participates in β ladder)trans-120157.3177.2-70.3-175.5-139.100111.7Y169 N209 F211 A212 F225Y169-E200 WeakPolarHBondContact CD1-O 3.37Å; E200-N209 PolarHBondContact OE2-ND2 2.92Å; E200-F211 HydrophobicContact CB-CB 4.21Å; E200-F211 HydrophobicContact CG-CB 3.98Å; E200-F211 PolarHBondContact N-O 3.03Å; E200-F211 VanDerWaalsContact N-O 3.08Å; E200-F211 WeakPolarHBondContact OE1-CD2 3.21Å; E200-A212 HydrophobicContact CB-CB 4.15Å; E200-F225 HydrophobicContact CG-CD2 3.8Å; E200-F225 HydrophobicContact CG-CE2 4.39Å
201K93.9Very high94Very high137 Ų13741 Ų4160%0.59623%0.225SC*.EExtended strand (participates in β ladder)trans-65.3139-179-75.8-174.4175.4-179.80110.5Y169 N203 A212Y169-K201 HydrophobicContact CE1-CG 4.14Å; Y169-K201 HydrophobicContact CE2-CG 4.31Å; K201-N203 PolarHBondContact O-N 3Å; K201-A212 WeakPolarHBondContact O-CB 3.37Å
202Y95.8Very high94Very high34 Ų3438.7 Ų38.713%0.13322%0.215CC..  trans-66.3124-176.9-173.7-108.7000112.1Y159 S161 P163 L165 G168 K170 L204 H213Y159-Y202 VanDerWaalsContact CE1-OH 3.31Å; Y159-Y202 WeakPolarHBondContact CE1-OH 3.4Å; Y159-Y202 VanDerWaalsContact OH-CE2 3.3Å; Y159-Y202 WeakPolarHBondContact OH-CE2 3.28Å; Y159-Y202 PolarHBondContact OH-OH 3.42Å; S161-Y202 WeakPolarHBondContact O-CE1 3.4Å; S161-Y202 PolarHBondContact O-OH 3.45Å; P163-Y202 WeakPolarHBondContact CD-OH 3.46Å; P163-Y202 HydrophobicContact CG-CD1 4.22Å; P163-Y202 HydrophobicContact CG-CD2 4.36Å; P163-Y202 HydrophobicContact CG-CE1 3.76Å; P163-Y202 HydrophobicContact CG-CE2 3.95Å; P163-Y202 HydrophobicContact CG-CG 4.46Å; L165-Y202 HydrophobicContact CD1-CD1 3.97Å; L165-Y202 HydrophobicContact CD1-CG 4.35Å; L165-Y202 HydrophobicContact CD2-CD1 3.96Å; L165-Y202 HydrophobicContact CD2-CG 3.78Å; G168-Y202 PolarHBondContact O-N 3.5Å; K170-Y202 HydrophobicContact CB-CD2 3.88Å; K170-Y202 HydrophobicContact CB-CG 4.41Å; K170-Y202 HydrophobicContact CD-CD2 4.07Å; K170-Y202 HydrophobicContact CD-CE2 3.95Å; K170-Y202 HydrophobicContact CG-CD2 4.47Å; Y202-L204 HydrophobicContact CE1-CD2 4.48Å; Y202-L204 HydrophobicContact CE1-CG 4.1Å; Y202-L204 WeakPolarHBondContact OH-CD2 3.07Å; Y202-H213 AromaticContact CE2-CE1 3.71Å; Y202-H213 AromaticContact CE2-ND1 3.5Å
203N93.6Very high94Very high80 Ų8037.6 Ų37.643%0.42821%0.21SC..  trans-149.1107.2-177.5-175.4-0.9000112.8K201 S205 S206 H213K201-N203 PolarHBondContact O-N 3Å; N203-S205 PolarHBondContact O-N 2.7Å; N203-S205 VanDerWaalsContact O-N 3.1Å; N203-S205 VanDerWaalsContact OD1-CB 3.27Å; N203-S205 WeakPolarHBondContact OD1-CB 3.46Å; N203-S205 PolarHBondContact OD1-N 3.17Å; N203-S205 PolarHBondContact OD1-OG 3.3Å; N203-S206 PolarHBondContact O-N 3.24Å; N203-S206 VanDerWaalsContact O-N 3.11Å; N203-H213 PolarHBondContact O-NE2 3.01Å; N203-H213 VanDerWaalsContact O-NE2 3.16Å
204L91.9Very high93.9Very high51 Ų5138 Ų3827%0.26721%0.212SC..THydrogen-bonded Turntrans-64.8-9.6177.4-73172000114.9R143 Y159 Y202 S206 L207R143-L204 PolarHBondContact NH1-O 3.16Å; R143-L204 VanDerWaalsContact NH1-O 3.17Å; R143-L204 PolarHBondContact NH2-O 3.47Å; Y159-L204 HydrophobicContact CE1-CD2 4.18Å; Y202-L204 HydrophobicContact CE1-CD2 4.48Å; Y202-L204 HydrophobicContact CE1-CG 4.1Å; Y202-L204 WeakPolarHBondContact OH-CD2 3.07Å; L204-S206 VanDerWaalsContact C-N 3.32Å; L204-L207 HydrophobicContact CD2-CD2 4.36Å
205S90.4Very high93.8Very high109 Ų10938.3 Ų38.376%0.76221%0.214SC*.THydrogen-bonded Turntrans-79.1-14.5173.4-570000113N203N203-S205 PolarHBondContact O-N 2.7Å; N203-S205 VanDerWaalsContact O-N 3.1Å; N203-S205 VanDerWaalsContact OD1-CB 3.27Å; N203-S205 WeakPolarHBondContact OD1-CB 3.46Å; N203-S205 PolarHBondContact OD1-N 3.17Å; N203-S205 PolarHBondContact OD1-OG 3.3Å
206S90.7Very high93.5Very high47 Ų4739.3 Ų39.333%0.32922%0.219SC..  trans-129.169.9-176.7-166.80000112.1N203 L204 S208 N209 H213N203-S206 PolarHBondContact O-N 3.24Å; N203-S206 VanDerWaalsContact O-N 3.11Å; L204-S206 VanDerWaalsContact C-N 3.32Å; S206-S208 PolarHBondContact O-N 3.3Å; S206-N209 WeakPolarHBondContact O-CB 3.35Å; S206-N209 PolarHBondContact O-N 3.49Å; S206-H213 PolarHBondContact O-CD2 2.88Å; S206-H213 PolarHBondContact O-NE2 3.06Å
207L91.6Very high93Very high28 Ų2839.6 Ų39.615%0.14722%0.222CC..THydrogen-bonded Turntrans-64.1-21.7-175.9-60.2-179.3000114.1L141 R143 L204 N209L141-L207 HydrophobicContact CB-CB 4.14Å; L141-L207 HydrophobicContact CD2-CD2 4.13Å; R143-L207 HydrophobicContact CG-CD1 3.8Å; L204-L207 HydrophobicContact CD2-CD2 4.36Å; L207-N209 VanDerWaalsContact C-N 3.25Å; L207-N209 PolarHBondContact O-N 2.69Å
208S91.6Very high92.6Very high107 Ų10741.4 Ų41.475%0.74824%0.235SC*.THydrogen-bonded Turntrans-73-14.6173.852.40000113.3S206 V210S206-S208 PolarHBondContact O-N 3.3Å; S208-V210 PolarHBondContact O-N 2.78Å
209N93.4Very high92.2Very high33 Ų3342.7 Ų42.718%0.17624%0.242CC..  trans-76.586177.1-170.5-15000111.5E200 S206 L207 F211 A212 H213E200-N209 PolarHBondContact OE2-ND2 2.92Å; S206-N209 WeakPolarHBondContact O-CB 3.35Å; S206-N209 PolarHBondContact O-N 3.49Å; L207-N209 VanDerWaalsContact C-N 3.25Å; L207-N209 PolarHBondContact O-N 2.69Å; N209-F211 PolarHBondContact O-N 3.11Å; N209-F211 WeakPolarHBondContact OD1-CB 3.47Å; N209-F211 PolarHBondContact OD1-N 3.33Å; N209-A212 HydrophobicContact CB-CB 4.21Å; N209-A212 PolarHBondContact O-N 2.77Å; N209-A212 VanDerWaalsContact O-N 3.12Å; N209-A212 PolarHBondContact OD1-N 2.7Å; N209-H213 PolarHBondContact O-CD2 2.89Å; N209-H213 PolarHBondContact O-N 2.89Å; N209-H213 VanDerWaalsContact O-N 3.13Å
210V93.1Very high92.1Very high54 Ų5442.8 Ų42.833%0.32724%0.243SC..Hα-helixtrans-58.2-27.4176.3-63.30000113.3S208 A212 L214 I219S208-V210 PolarHBondContact O-N 2.78Å; V210-A212 VanDerWaalsContact C-N 3.32Å; V210-L214 HydrophobicContact CB-CD1 4.21Å; V210-L214 HydrophobicContact CG1-CD1 4.27Å; V210-L214 WeakPolarHBondContact O-CB 3.5Å; V210-L214 PolarHBondContact O-N 3.24Å; V210-I219 HydrophobicContact CB-CG2 4.37Å; V210-I219 HydrophobicContact CG2-CG2 4.04Å
211F93.8Very high91.8Very high46 Ų4646.2 Ų46.220%0.20226%0.257CS..Hα-helixtrans-76.5-17.3179.8-58.2-57.1000113.8A198 T199 E200 N209 I219 N220 G223A198-F211 WeakPolarHBondContact CB-O 3.47Å; T199-F211 PolarHBondContact N-O 3.04Å; T199-F211 WeakPolarHBondContact OG1-CB 3.26Å; E200-F211 HydrophobicContact CB-CB 4.21Å; E200-F211 HydrophobicContact CG-CB 3.98Å; E200-F211 PolarHBondContact N-O 3.03Å; E200-F211 VanDerWaalsContact N-O 3.08Å; E200-F211 WeakPolarHBondContact OE1-CD2 3.21Å; N209-F211 PolarHBondContact O-N 3.11Å; N209-F211 WeakPolarHBondContact OD1-CB 3.47Å; N209-F211 PolarHBondContact OD1-N 3.33Å; F211-I219 HydrophobicContact CD1-CG2 3.9Å; F211-I219 HydrophobicContact CE1-CG2 3.83Å; F211-N220 PolarHBondContact O-OD1 3.26Å; F211-G223 VanDerWaalsContact CE1-CA 3.43Å
212A94.8Very high91.4Very high1 Ų149.2 Ų49.21%0.00826%0.264CS..Hα-helixtrans-95.4-33.1171.700000112.6E200 K201 N209 V210E200-A212 HydrophobicContact CB-CB 4.15Å; K201-A212 WeakPolarHBondContact O-CB 3.37Å; N209-A212 HydrophobicContact CB-CB 4.21Å; N209-A212 PolarHBondContact O-N 2.77Å; N209-A212 VanDerWaalsContact O-N 3.12Å; N209-A212 PolarHBondContact OD1-N 2.7Å; V210-A212 VanDerWaalsContact C-N 3.32Å
213H95.9Very high90.9Very high0 Ų047.9 Ų47.90%026%0.261CS..Hα-helixtrans-96.4-27.7-172.5-74-68.6000115.2L141 Y159 K170 Y202 N203 S206 N209L141-H213 HydrophobicContact CD1-CB 4.07Å; L141-H213 HydrophobicContact CD2-CB 3.95Å; Y159-H213 AromaticContact CZ-ND1 3.83Å; Y159-H213 PolarHBondContact OH-ND1 3.17Å; K170-H213 PolarHBondContact NZ-O 2.83Å; Y202-H213 AromaticContact CE2-CE1 3.71Å; Y202-H213 AromaticContact CE2-ND1 3.5Å; N203-H213 PolarHBondContact O-NE2 3.01Å; N203-H213 VanDerWaalsContact O-NE2 3.16Å; S206-H213 PolarHBondContact O-CD2 2.88Å; S206-H213 PolarHBondContact O-NE2 3.06Å; N209-H213 PolarHBondContact O-CD2 2.89Å; N209-H213 PolarHBondContact O-N 2.89Å; N209-H213 VanDerWaalsContact O-N 3.13Å
214L95.1Very high90.4Very high10 Ų1048.5 Ų48.55%0.05227%0.27CS..  trans-111.7137.4179.9-53.5-179.9000109.8I127 I139 L141 V210 I219 N220I127-L214 HydrophobicContact CD1-CD2 4.13Å; I139-L214 HydrophobicContact CB-CD1 4.19Å; I139-L214 HydrophobicContact CG2-CD1 4.1Å; I139-L214 HydrophobicContact CG2-CD2 3.87Å; L141-L214 HydrophobicContact CD1-CD2 4.42Å; V210-L214 HydrophobicContact CB-CD1 4.21Å; V210-L214 HydrophobicContact CG1-CD1 4.27Å; V210-L214 WeakPolarHBondContact O-CB 3.5Å; V210-L214 PolarHBondContact O-N 3.24Å; L214-I219 HydrophobicContact CB-CD1 4.1Å; L214-I219 HydrophobicContact CD1-CD1 3.51Å; L214-I219 HydrophobicContact CG-CD1 4.45Å; L214-N220 PolarHBondContact O-ND2 2.7Å
215T94.5Very high90Very high9 Ų951.3 Ų51.36%0.05528%0.28CS..  trans-106.7-3.6-173.347.40000112.8K170 D172 A198 T217K170-T215 HydrophobicContact CD-CG2 4.41Å; K170-T215 HydrophobicContact CG-CG2 4.07Å; D172-T215 WeakPolarHBondContact OD1-CB 3.42Å; D172-T215 PolarHBondContact OD1-OG1 3.01Å; A198-T215 HydrophobicContact CB-CG2 4.4Å; T215-T217 PolarHBondContact O-N 3.11Å
216N91Very high89.6Confident21 Ų2147.9 Ų47.911%0.11225%0.251CS..  trans-59.6128.7178.9-53.495000110.7S218 I219 N220N216-S218 PolarHBondContact O-N 2.85Å; N216-I219 PolarHBondContact O-N 2.96Å; N216-I219 VanDerWaalsContact O-N 3.12Å; N216-N220 PolarHBondContact O-N 2.79Å; N216-N220 PolarHBondContact O-ND2 2.82Å
217T87.1Confident89.1Confident21 Ų2154.7 Ų54.713%0.12927%0.274CS..Hα-helixtrans-62.4-30179.9-46.10000112.8T215 I219 N220 K221 K238 D313T215-T217 PolarHBondContact O-N 3.11Å; T217-I219 PolarHBondContact O-N 2.98Å; T217-N220 PolarHBondContact O-N 2.78Å; T217-K221 VanDerWaalsContact O-CB 3.26Å; T217-K221 WeakPolarHBondContact O-CB 3.2Å; T217-K221 VanDerWaalsContact O-CG 3.25Å; T217-K221 WeakPolarHBondContact O-CG 3.47Å; T217-K221 PolarHBondContact O-N 3.27Å; T217-K238 VanDerWaalsContact OG1-CE 3.25Å; T217-K238 WeakPolarHBondContact OG1-CE 3.36Å; T217-D313 WeakPolarHBondContact CG2-OD2 3.41Å
218S86.1Confident88.7Confident40 Ų4055.2 Ų55.228%0.2828%0.282SS..Hα-helixtrans-56.2-33.7174.344.20000113.9R135 N216R135-S218 PolarHBondContact O-OG 2.82Å; N216-S218 PolarHBondContact O-N 2.85Å
219I87.4Confident88.3Confident28 Ų2856.7 Ų56.714%0.14428%0.277CS..Hα-helixtrans-86.1-56.9175-64.1178.9000108.8V210 F211 L214 N216 T217 K221 R222V210-I219 HydrophobicContact CB-CG2 4.37Å; V210-I219 HydrophobicContact CG2-CG2 4.04Å; F211-I219 HydrophobicContact CD1-CG2 3.9Å; F211-I219 HydrophobicContact CE1-CG2 3.83Å; L214-I219 HydrophobicContact CB-CD1 4.1Å; L214-I219 HydrophobicContact CD1-CD1 3.51Å; L214-I219 HydrophobicContact CG-CD1 4.45Å; N216-I219 PolarHBondContact O-N 2.96Å; N216-I219 VanDerWaalsContact O-N 3.12Å; T217-I219 PolarHBondContact O-N 2.98Å; I219-K221 VanDerWaalsContact C-N 3.26Å; I219-K221 PolarHBondContact O-N 2.92Å; I219-K221 VanDerWaalsContact O-N 3.15Å; I219-R222 WeakPolarHBondContact O-CB 3.42Å; I219-R222 PolarHBondContact O-N 2.85Å
220N89.4Confident87.8Confident2 Ų255.4 Ų55.41%0.01127%0.27CS..Hα-helixtrans-62.9-26.4-170.6-77.4-79.6000114.3T199 F211 L214 N216 T217 R222 G223 Y226T199-N220 WeakPolarHBondContact CB-OD1 3.3Å; T199-N220 HydrophobicContact CG2-CB 3.82Å; T199-N220 PolarHBondContact N-OD1 3.47Å; T199-N220 PolarHBondContact OG1-OD1 3.36Å; F211-N220 PolarHBondContact O-OD1 3.26Å; L214-N220 PolarHBondContact O-ND2 2.7Å; N216-N220 PolarHBondContact O-N 2.79Å; N216-N220 PolarHBondContact O-ND2 2.82Å; T217-N220 PolarHBondContact O-N 2.78Å; N220-R222 PolarHBondContact O-N 3.44Å; N220-R222 VanDerWaalsContact O-N 3.16Å; N220-G223 PolarHBondContact O-N 3.1Å; N220-Y226 WeakPolarHBondContact O-CB 3.32Å; N220-Y226 WeakPolarHBondContact O-CD2 3.39Å
221K86.5Confident87.2Confident112 Ų11255.7 Ų55.749%0.48728%0.284SS..THydrogen-bonded Turntrans-64-16.3173.375.8-178.7-172.1166.50114.2T217 I219 Y226T217-K221 VanDerWaalsContact O-CB 3.26Å; T217-K221 WeakPolarHBondContact O-CB 3.2Å; T217-K221 VanDerWaalsContact O-CG 3.25Å; T217-K221 WeakPolarHBondContact O-CG 3.47Å; T217-K221 PolarHBondContact O-N 3.27Å; I219-K221 VanDerWaalsContact C-N 3.26Å; I219-K221 PolarHBondContact O-N 2.92Å; I219-K221 VanDerWaalsContact O-N 3.15Å; K221-Y226 HydrophobicContact CB-CD2 4.5Å; K221-Y226 HydrophobicContact CB-CE2 4.26Å
222R86.2Confident86.5Confident200 Ų20059.7 Ų59.776%0.75530%0.303SS*.THydrogen-bonded Turntrans-98.8-2.7173.6-59.7178.3171.8175-4.6112.7I219 N220I219-R222 WeakPolarHBondContact O-CB 3.42Å; I219-R222 PolarHBondContact O-N 2.85Å; N220-R222 PolarHBondContact O-N 3.44Å; N220-R222 VanDerWaalsContact O-N 3.16Å
223G84.3Confident85.9Confident6 Ų659.7 Ų59.76%0.06230%0.303CS..SBendtrans-73.8143.1179.900000111.7F211 N220 F225 Y226F211-G223 VanDerWaalsContact CE1-CA 3.43Å; N220-G223 PolarHBondContact O-N 3.1Å; G223-F225 PolarHBondContact O-N 2.95Å; G223-F225 VanDerWaalsContact O-N 3.17Å; G223-Y226 WeakPolarHBondContact O-CB 3.46Å; G223-Y226 PolarHBondContact O-N 3.24Å
224P83.3Confident85.2Confident94 Ų9460.2 Ų60.261%0.6131%0.309SS*.THydrogen-bonded Turntrans-59.4-33.6-173.521.6-31.8000112.7
225F83.2Confident84.2Confident109 Ų10964 Ų6448%0.47834%0.336SS..THydrogen-bonded Turntrans-95.418.3-179-56.6-74000113.9E200 G223 K227 A228 K230E200-F225 HydrophobicContact CG-CD2 3.8Å; E200-F225 HydrophobicContact CG-CE2 4.39Å; G223-F225 PolarHBondContact O-N 2.95Å; G223-F225 VanDerWaalsContact O-N 3.17Å; F225-K227 PolarHBondContact O-N 3.43Å; F225-A228 HydrophobicContact CB-CB 4.11Å; F225-A228 HydrophobicContact CD1-CB 4.36Å; F225-A228 WeakPolarHBondContact O-CB 3.44Å; F225-A228 PolarHBondContact O-N 3Å; F225-K230 WeakPolarHBondContact O-CE 3.05Å; F225-K230 PolarHBondContact O-NZ 2.93Å
226Y82.9Confident83Confident38 Ų3864.5 Ų64.515%0.14934%0.344CS..THydrogen-bonded Turntrans-56.2-46.5-177.3-177.4-108.8000113.6T199 N220 K221 G223 K230 C237T199-Y226 HydrophobicContact CG2-CD2 3.91Å; N220-Y226 WeakPolarHBondContact O-CB 3.32Å; N220-Y226 WeakPolarHBondContact O-CD2 3.39Å; K221-Y226 HydrophobicContact CB-CD2 4.5Å; K221-Y226 HydrophobicContact CB-CE2 4.26Å; G223-Y226 WeakPolarHBondContact O-CB 3.46Å; G223-Y226 PolarHBondContact O-N 3.24Å; Y226-K230 PolarHBondContact O-NZ 2.86Å; Y226-C237 HydrophobicContact CD2-CB 4.3Å; Y226-C237 VanDerWaalsContact CD2-SG 3.6Å; Y226-C237 HydrophobicContact CE2-CB 4.04Å; Y226-C237 PolarHBondContact O-SG 3.25Å; Y226-C237 VanDerWaalsContact O-SG 3.4Å
227K80.4Confident82.7Confident190 Ų19063.7 Ų63.783%0.82634%0.34SS*.THydrogen-bonded Turntrans-86.4-4.5179.5-63.2-172.6179-177.20114.4F225F225-K227 PolarHBondContact O-N 3.43Å
228A82.6Confident83Confident38 Ų3863.1 Ų63.131%0.31434%0.335SS..SBendtrans-69.9145.3-177.900000112.1F225 K230F225-A228 HydrophobicContact CB-CB 4.11Å; F225-A228 HydrophobicContact CD1-CB 4.36Å; F225-A228 WeakPolarHBondContact O-CB 3.44Å; F225-A228 PolarHBondContact O-N 3Å; A228-K230 PolarHBondContact O-N 2.94Å; A228-K230 PolarHBondContact O-NZ 3.33Å
229Q83.4Confident83.4Confident139 Ų13961.6 Ų61.665%0.6532%0.323SS*.  trans-70.4117.1172.7-169.474.4-4.400109.9S235Q229-S235 VanDerWaalsContact OE1-CB 3.31Å; Q229-S235 VanDerWaalsContact OE1-N 3.17Å
230K82.6Confident83.8Confident5 Ų561.3 Ų61.32%0.02232%0.323CS..  trans-10964.1-171.7-69.7-177.4-171.375.40113.5Y169 T199 F225 Y226 A228 Q232 V233 G234 C237Y169-K230 HydrophobicContact CD1-CD 4.08Å; Y169-K230 HydrophobicContact CD2-CD 4.42Å; Y169-K230 HydrophobicContact CE1-CD 3.69Å; Y169-K230 HydrophobicContact CE1-CG 4.32Å; Y169-K230 HydrophobicContact CE2-CB 3.92Å; Y169-K230 HydrophobicContact CE2-CD 4.07Å; Y169-K230 HydrophobicContact CE2-CG 4.12Å; Y169-K230 HydrophobicContact CG-CD 4.44Å; T199-K230 WeakPolarHBondContact O-CE 3.25Å; F225-K230 WeakPolarHBondContact O-CE 3.05Å; F225-K230 PolarHBondContact O-NZ 2.93Å; Y226-K230 PolarHBondContact O-NZ 2.86Å; A228-K230 PolarHBondContact O-N 2.94Å; A228-K230 PolarHBondContact O-NZ 3.33Å; K230-Q232 PolarHBondContact O-N 3.24Å; K230-V233 HydrophobicContact CB-CB 3.86Å; K230-V233 HydrophobicContact CB-CG1 4.41Å; K230-V233 WeakPolarHBondContact O-CA 3.5Å; K230-V233 VanDerWaalsContact O-CB 3.3Å; K230-V233 WeakPolarHBondContact O-CB 3.27Å; K230-V233 PolarHBondContact O-N 3.22Å; K230-G234 PolarHBondContact N-O 3.44Å; K230-G234 PolarHBondContact O-N 2.84Å; K230-C237 PolarHBondContact NZ-SG 2.94Å
231G80.4Confident84.1Confident60 Ų6061.3 Ų61.362%0.61932%0.323SS*.G310 helixtrans52-126.5177.700000111.8V233 G234G231-V233 VanDerWaalsContact C-N 3.28Å; G231-V233 PolarHBondContact O-N 3.4Å; G231-G234 PolarHBondContact O-N 3.35Å
232Q79.1Confident84.5Confident130 Ų13057.3 Ų57.361%0.60731%0.309SS*.G310 helixtrans-65.5-26.4177.6-63.3174.4-31.300113.8S167 K230 G234 W239S167-Q232 WeakPolarHBondContact OG-CB 3.43Å; S167-Q232 PolarHBondContact OG-N 2.97Å; K230-Q232 PolarHBondContact O-N 3.24Å; Q232-G234 PolarHBondContact O-N 3.11Å; Q232-W239 WeakPolarHBondContact O-CZ2 3.48Å
233V82.9Confident84.9Confident1 Ų151.6 Ų51.61%0.00629%0.289CS..G310 helixtrans-63-33.6176.2-177.40000110.4I166 Y169 F197 K230 G231 W239I166-V233 HydrophobicContact CG2-CG2 4.21Å; Y169-V233 HydrophobicContact CD2-CG2 4.23Å; F197-V233 HydrophobicContact CB-CG1 4.36Å; F197-V233 HydrophobicContact CD1-CG1 4.01Å; F197-V233 HydrophobicContact CD1-CG2 4.02Å; F197-V233 HydrophobicContact CD2-CG1 3.78Å; F197-V233 HydrophobicContact CE1-CG1 4.28Å; F197-V233 HydrophobicContact CE1-CG2 3.95Å; F197-V233 HydrophobicContact CE2-CG1 4.04Å; F197-V233 HydrophobicContact CG-CG1 3.76Å; F197-V233 HydrophobicContact CZ-CG1 4.29Å; F197-V233 HydrophobicContact CZ-CG2 4.44Å; K230-V233 HydrophobicContact CB-CB 3.86Å; K230-V233 HydrophobicContact CB-CG1 4.41Å; K230-V233 WeakPolarHBondContact O-CA 3.5Å; K230-V233 VanDerWaalsContact O-CB 3.3Å; K230-V233 WeakPolarHBondContact O-CB 3.27Å; K230-V233 PolarHBondContact O-N 3.22Å; G231-V233 VanDerWaalsContact C-N 3.28Å; G231-V233 PolarHBondContact O-N 3.4Å; V233-W239 PolarHBondContact O-NE1 3.35Å
234G81.2Confident85.4Confident12 Ų1251.5 Ų51.512%0.12429%0.287CS..  trans81.8-155.3178.300000113.4K230 G231 Q232K230-G234 PolarHBondContact N-O 3.44Å; K230-G234 PolarHBondContact O-N 2.84Å; G231-G234 PolarHBondContact O-N 3.35Å; Q232-G234 PolarHBondContact O-N 3.11Å
235S73.2Confident85.9Confident88 Ų8848 Ų4862%0.61526%0.262SS*.SBendtrans-85.3139.2173.253.40000110.7Q229Q229-S235 VanDerWaalsContact OE1-CB 3.31Å; Q229-S235 VanDerWaalsContact OE1-N 3.17Å
236G69.3Low86.2Confident21 Ų2146.1 Ų46.122%0.21625%0.252CS..SBendtrans80.1145.2-176.100000113.3K238G236-K238 VanDerWaalsContact C-N 3.31Å; G236-K238 PolarHBondContact O-N 3.07Å
237C85.1Confident86.7Confident4 Ų446 Ų463%0.02725%0.252CS..SBendtrans-95.831.9-170.3-55.40000113F197 T199 Y226 K230F197-C237 HydrophobicContact CB-CB 4.32Å; F197-C237 PolarHBondContact N-O 3.21Å; T199-C237 HydrophobicContact CG2-CB 4.47Å; T199-C237 WeakPolarHBondContact CG2-SG 3.33Å; Y226-C237 HydrophobicContact CD2-CB 4.3Å; Y226-C237 VanDerWaalsContact CD2-SG 3.6Å; Y226-C237 HydrophobicContact CE2-CB 4.04Å; Y226-C237 PolarHBondContact O-SG 3.25Å; Y226-C237 VanDerWaalsContact O-SG 3.4Å; K230-C237 PolarHBondContact NZ-SG 2.94Å
238K92.9Very high87.2Confident8 Ų837 Ų374%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-142.5138.9-177.6-62.3-179.8-171.3168.90110.8V195 T217 G236 D313 T316 D317V195-K238 CarbonylContact O-C 3.57Å; V195-K238 WeakPolarHBondContact O-CA 3.35Å; T217-K238 VanDerWaalsContact OG1-CE 3.25Å; T217-K238 WeakPolarHBondContact OG1-CE 3.36Å; G236-K238 VanDerWaalsContact C-N 3.31Å; G236-K238 PolarHBondContact O-N 3.07Å; K238-D313 IonicContact NZ-OD2 3.54Å; K238-D313 PolarHBondContact NZ-OD2 3Å; K238-T316 HydrophobicContact CB-CG2 4.08Å; K238-D317 IonicContact NZ-OD1 2.62Å; K238-D317 PolarHBondContact NZ-OD1 3.38Å; K238-D317 IonicContact NZ-OD2 2.74Å; K238-D317 PolarHBondContact NZ-OD2 3.25Å
239W95.2Very high87.6Confident9 Ų940.5 Ų40.53%0.03422%0.223CC..EExtended strand (participates in β ladder)trans-116.3159162.3-63.9-9.2000110.9I166 V195 F197 Q232 V233 K243 F244 F247I166-W239 HydrophobicContact CD1-CH2 3.99Å; I166-W239 HydrophobicContact CD1-CZ3 3.73Å; I166-W239 HydrophobicContact CG2-CH2 3.85Å; I166-W239 HydrophobicContact CG2-CZ2 4.33Å; V195-W239 HydrophobicContact CB-CB 4.12Å; V195-W239 PolarHBondContact N-O 3.38Å; V195-W239 PolarHBondContact O-N 3.19Å; F197-W239 HydrophobicContact CE2-CB 4.2Å; F197-W239 AromaticContact CE2-CD1 3.76Å; F197-W239 AromaticContact CE2-CD2 3.7Å; F197-W239 HydrophobicContact CE2-CD2 3.7Å; F197-W239 AromaticContact CE2-CE2 3.95Å; F197-W239 HydrophobicContact CE2-CE3 4.3Å; F197-W239 AromaticContact CE2-CG 3.62Å; F197-W239 HydrophobicContact CE2-CG 3.62Å; F197-W239 AromaticContact CE2-NE1 3.91Å; F197-W239 AromaticContact CZ-CD2 3.71Å; F197-W239 HydrophobicContact CZ-CD2 3.71Å; F197-W239 AromaticContact CZ-CE2 3.85Å; F197-W239 AromaticContact CZ-CE3 3.93Å; F197-W239 HydrophobicContact CZ-CE3 3.93Å; F197-W239 HydrophobicContact CZ-CG 4.15Å; F197-W239 HydrophobicContact CZ-CH2 4.48Å; F197-W239 HydrophobicContact CZ-CZ2 4.26Å; F197-W239 HydrophobicContact CZ-CZ3 4.31Å; Q232-W239 WeakPolarHBondContact O-CZ2 3.48Å; V233-W239 PolarHBondContact O-NE1 3.35Å; W239-K243 HydrophobicContact CB-CB 4.35Å; W239-K243 HydrophobicContact CB-CD 4.17Å; W239-K243 HydrophobicContact CB-CG 4.43Å; W239-K243 HydrophobicContact CD2-CD 3.82Å; W239-K243 HydrophobicContact CD2-CG 4Å; W239-K243 VanDerWaalsContact CE2-CE 3.44Å; W239-K243 HydrophobicContact CE3-CD 4.38Å; W239-K243 HydrophobicContact CE3-CG 4.06Å; W239-K243 HydrophobicContact CG-CD 3.71Å; W239-K243 HydrophobicContact CG-CG 4.2Å; W239-K243 VanDerWaalsContact NE1-NZ 3.15Å; W239-F244 HydrophobicContact CE3-CB 4.29Å; W239-F244 HydrophobicContact CE3-CD2 4.48Å; W239-F244 HydrophobicContact CZ3-CD2 4.43Å; W239-F247 HydrophobicContact CH2-CB 4.36Å; W239-F247 HydrophobicContact CH2-CD2 4.11Å; W239-F247 HydrophobicContact CH2-CG 4.2Å; W239-F247 HydrophobicContact CZ3-CB 3.88Å; W239-F247 HydrophobicContact CZ3-CD1 4.46Å; W239-F247 HydrophobicContact CZ3-CD2 4.37Å; W239-F247 AromaticContact CZ3-CG 3.98Å; W239-F247 HydrophobicContact CZ3-CG 3.98Å
240T96.2Very high87.9Confident22 Ų2237.9 Ų37.914%0.13521%0.214CC..EExtended strand (participates in β ladder)trans-69.4161.3161.154.80000110.7E192 A193 K243 F244 T316 V320E192-T240 WeakPolarHBondContact OE2-CA 3.32Å; E192-T240 VanDerWaalsContact OE2-CB 3.26Å; E192-T240 WeakPolarHBondContact OE2-CB 3.44Å; A193-T240 CarbonylContact O-C 3.52Å; T240-K243 PolarHBondContact O-N 2.96Å; T240-K243 WeakPolarHBondContact OG1-CB 3.35Å; T240-K243 PolarHBondContact OG1-N 3.26Å; T240-F244 PolarHBondContact O-N 2.65Å; T240-T316 HydrophobicContact CG2-CG2 3.95Å; T240-V320 HydrophobicContact CG2-CG2 3.93Å
241M95.6Very high88.2Confident2 Ų243.1 Ų43.11%0.0124%0.239CC..Hα-helixtrans-67.5-39.3174.5-177.35568.500111L173 Q191 E192 A193 K243 F244 R245 W259L173-M241 HydrophobicContact CD1-CE 4.31Å; L173-M241 HydrophobicContact CD2-CE 4.16Å; Q191-M241 WeakPolarHBondContact O-CG 3.29Å; E192-M241 PolarHBondContact OE2-N 3.27Å; A193-M241 HydrophobicContact CB-CB 4.04Å; A193-M241 HydrophobicContact CB-CE 3.62Å; A193-M241 HydrophobicContact CB-CG 4.47Å; A193-M241 PolarHBondContact O-N 3.42Å; A193-M241 VanDerWaalsContact O-N 3.08Å; M241-K243 VanDerWaalsContact C-N 3.33Å; M241-K243 PolarHBondContact O-N 3.49Å; M241-F244 CarbonylContact O-C 3.58Å; M241-F244 WeakPolarHBondContact O-CA 3.4Å; M241-F244 WeakPolarHBondContact O-CB 3.42Å; M241-F244 PolarHBondContact O-N 2.98Å; M241-F244 HydrophobicContact SD-CD1 3.87Å; M241-R245 HydrophobicContact CG-CG 4.31Å; M241-R245 WeakPolarHBondContact O-CG 3.22Å; M241-R245 PolarHBondContact O-N 2.99Å; M241-R245 HydrophobicContact SD-CG 4.32Å; M241-W259 HydrophobicContact CE-CH2 4.41Å; M241-W259 HydrophobicContact CE-CZ3 3.89Å; M241-W259 HydrophobicContact SD-CZ3 4.18Å
242S94Very high88.7Confident28 Ų2847.8 Ų47.820%0.19625%0.249CC..Hα-helixtrans-58.9-42.3176.3-61.40000112.3E192 F244 R245 Y246E192-S242 WeakPolarHBondContact OE1-CB 3.47Å; E192-S242 PolarHBondContact OE1-N 3.25Å; E192-S242 PolarHBondContact OE1-OG 2.81Å; S242-F244 VanDerWaalsContact C-N 3.28Å; S242-F244 PolarHBondContact O-N 3.31Å; S242-R245 PolarHBondContact O-N 3.44Å; S242-Y246 WeakPolarHBondContact O-CB 3.35Å; S242-Y246 PolarHBondContact O-N 3.23Å
243K94.5Very high89.2Confident79 Ų7943 Ų4334%0.34323%0.228SC..Hα-helixtrans-63-35.6174.6-179.2173.8177.9-173.90111.8W239 T240 M241 F247W239-K243 HydrophobicContact CB-CB 4.35Å; W239-K243 HydrophobicContact CB-CD 4.17Å; W239-K243 HydrophobicContact CB-CG 4.43Å; W239-K243 HydrophobicContact CD2-CD 3.82Å; W239-K243 HydrophobicContact CD2-CG 4Å; W239-K243 VanDerWaalsContact CE2-CE 3.44Å; W239-K243 HydrophobicContact CE3-CD 4.38Å; W239-K243 HydrophobicContact CE3-CG 4.06Å; W239-K243 HydrophobicContact CG-CD 3.71Å; W239-K243 HydrophobicContact CG-CG 4.2Å; W239-K243 VanDerWaalsContact NE1-NZ 3.15Å; T240-K243 PolarHBondContact O-N 2.96Å; T240-K243 WeakPolarHBondContact OG1-CB 3.35Å; T240-K243 PolarHBondContact OG1-N 3.26Å; M241-K243 VanDerWaalsContact C-N 3.33Å; M241-K243 PolarHBondContact O-N 3.49Å; K243-F247 WeakPolarHBondContact O-CB 3.39Å; K243-F247 PolarHBondContact O-N 3.4Å
244F95.1Very high89.4Confident4 Ų446.8 Ų46.82%0.01825%0.248CC..Hα-helixtrans-72.5-42.2176179.9-113.2000112.8I166 F171 L173 V195 W239 T240 M241 S242 Y246 F247 L248 I293I166-F244 HydrophobicContact CD1-CD2 4.23Å; I166-F244 HydrophobicContact CD1-CE2 4.14Å; F171-F244 HydrophobicContact CE2-CD2 4.5Å; F171-F244 AromaticContact CE2-CE2 3.68Å; F171-F244 HydrophobicContact CE2-CE2 3.68Å; F171-F244 AromaticContact CE2-CZ 3.82Å; F171-F244 HydrophobicContact CE2-CZ 3.82Å; F171-F244 AromaticContact CZ-CE2 3.63Å; F171-F244 HydrophobicContact CZ-CE2 3.63Å; F171-F244 AromaticContact CZ-CZ 3.94Å; F171-F244 HydrophobicContact CZ-CZ 3.94Å; L173-F244 HydrophobicContact CD1-CE1 4.15Å; L173-F244 HydrophobicContact CD2-CD1 4.05Å; L173-F244 HydrophobicContact CD2-CE1 3.92Å; L173-F244 HydrophobicContact CD2-CZ 4.38Å; V195-F244 HydrophobicContact CG2-CB 3.62Å; V195-F244 HydrophobicContact CG2-CD1 4.3Å; V195-F244 HydrophobicContact CG2-CD2 4.45Å; V195-F244 HydrophobicContact CG2-CG 3.89Å; W239-F244 HydrophobicContact CE3-CB 4.29Å; W239-F244 HydrophobicContact CE3-CD2 4.48Å; W239-F244 HydrophobicContact CZ3-CD2 4.43Å; T240-F244 PolarHBondContact O-N 2.65Å; M241-F244 CarbonylContact O-C 3.58Å; M241-F244 WeakPolarHBondContact O-CA 3.4Å; M241-F244 WeakPolarHBondContact O-CB 3.42Å; M241-F244 PolarHBondContact O-N 2.98Å; M241-F244 HydrophobicContact SD-CD1 3.87Å; S242-F244 VanDerWaalsContact C-N 3.28Å; S242-F244 PolarHBondContact O-N 3.31Å; F244-Y246 VanDerWaalsContact C-N 3.35Å; F244-Y246 PolarHBondContact O-N 2.96Å; F244-F247 HydrophobicContact CD2-CD1 4.48Å; F244-F247 WeakPolarHBondContact O-CB 3.49Å; F244-F247 PolarHBondContact O-N 3.24Å; F244-L248 HydrophobicContact CD1-CD1 4.01Å; F244-L248 HydrophobicContact CD1-CG 4.47Å; F244-L248 HydrophobicContact CE1-CD1 3.54Å; F244-L248 HydrophobicContact CE1-CD2 4.47Å; F244-L248 HydrophobicContact CE1-CG 4.14Å; F244-L248 HydrophobicContact CE2-CD1 4.49Å; F244-L248 HydrophobicContact CE2-CD2 4.1Å; F244-L248 HydrophobicContact CE2-CG 4.22Å; F244-L248 HydrophobicContact CZ-CD1 3.82Å; F244-L248 HydrophobicContact CZ-CD2 3.88Å; F244-L248 HydrophobicContact CZ-CG 3.99Å; F244-L248 WeakPolarHBondContact O-CG 3.19Å; F244-L248 PolarHBondContact O-N 3.02Å; F244-I293 HydrophobicContact CE1-CD1 4Å; F244-I293 HydrophobicContact CZ-CD1 3.73Å
245R93.4Very high89.8Confident21 Ų2146.9 Ų46.98%0.07925%0.245CC..Hα-helixtrans-57.2-47.5172.5-71.3176.7178.1-87.3-13.5111.1M241 S242 F247 L248 Q249 E255 W259M241-R245 HydrophobicContact CG-CG 4.31Å; M241-R245 WeakPolarHBondContact O-CG 3.22Å; M241-R245 PolarHBondContact O-N 2.99Å; M241-R245 HydrophobicContact SD-CG 4.32Å; S242-R245 PolarHBondContact O-N 3.44Å; R245-F247 VanDerWaalsContact C-N 3.35Å; R245-F247 PolarHBondContact O-N 2.8Å; R245-L248 WeakPolarHBondContact O-CB 3.24Å; R245-L248 PolarHBondContact O-N 3.29Å; R245-L248 VanDerWaalsContact O-N 3.11Å; R245-Q249 WeakPolarHBondContact O-CG 3.29Å; R245-Q249 PolarHBondContact O-N 3.01Å; R245-E255 HydrophobicContact CB-CG 4.45Å; R245-E255 HydrophobicContact CG-CG 4.17Å; R245-E255 IonicContact CZ-OE1 3.77Å; R245-E255 IonicContact CZ-OE2 2.79Å; R245-E255 IonicContact NE-OE1 2.72Å; R245-E255 IonicContact NH1-OE1 3.83Å; R245-E255 PolarHBondContact NH1-OE1 3.4Å; R245-E255 IonicContact NH1-OE2 3.5Å; R245-E255 PolarHBondContact NH1-OE2 3.39Å; R245-E255 IonicContact NH2-OE1 2.92Å; R245-W259 VanDerWaalsContact NH2-CE3 3.34Å
246Y91Very high90.6Very high69 Ų6945.9 Ų45.927%0.27124%0.236SC..Hα-helixtrans-59.3-42.7174.8177.9-109.5000112.6S242 F244 L248 Q249 N250 L562 F566S242-Y246 WeakPolarHBondContact O-CB 3.35Å; S242-Y246 PolarHBondContact O-N 3.23Å; F244-Y246 VanDerWaalsContact C-N 3.35Å; F244-Y246 PolarHBondContact O-N 2.96Å; Y246-L248 PolarHBondContact O-N 2.72Å; Y246-Q249 PolarHBondContact O-N 3.29Å; Y246-N250 WeakPolarHBondContact CE1-ND2 3.1Å; Y246-N250 WeakPolarHBondContact O-CB 3.29Å; Y246-N250 PolarHBondContact O-N 2.78Å; Y246-N250 PolarHBondContact OH-ND2 3.47Å; Y246-N250 VanDerWaalsContact OH-ND2 3.12Å; Y246-L562 HydrophobicContact CD2-CD2 3.75Å; Y246-L562 HydrophobicContact CE2-CD2 3.41Å; Y246-L562 VanDerWaalsContact CE2-CD2 3.41Å; Y246-F566 HydrophobicContact CE1-CE2 4.28Å; Y246-F566 AromaticContact CE1-CZ 3.89Å; Y246-F566 HydrophobicContact CE1-CZ 3.89Å
247F92.4Very high91.6Very high35 Ų3547.8 Ų47.815%0.15424%0.239CC..Hα-helixtrans-60.1-43.1172.6172.2-92.9000112.3I166 W239 K243 F244 R245 N250 Q251I166-F247 HydrophobicContact CD1-CD1 3.95Å; I166-F247 HydrophobicContact CD1-CE1 3.74Å; I166-F247 HydrophobicContact CD1-CZ 4.16Å; I166-F247 HydrophobicContact CG1-CE1 3.89Å; I166-F247 HydrophobicContact CG1-CZ 3.96Å; I166-F247 HydrophobicContact CG2-CE2 4.14Å; I166-F247 HydrophobicContact CG2-CZ 4.14Å; W239-F247 HydrophobicContact CH2-CB 4.36Å; W239-F247 HydrophobicContact CH2-CD2 4.11Å; W239-F247 HydrophobicContact CH2-CG 4.2Å; W239-F247 HydrophobicContact CZ3-CB 3.88Å; W239-F247 HydrophobicContact CZ3-CD1 4.46Å; W239-F247 HydrophobicContact CZ3-CD2 4.37Å; W239-F247 AromaticContact CZ3-CG 3.98Å; W239-F247 HydrophobicContact CZ3-CG 3.98Å; K243-F247 WeakPolarHBondContact O-CB 3.39Å; K243-F247 PolarHBondContact O-N 3.4Å; F244-F247 HydrophobicContact CD2-CD1 4.48Å; F244-F247 WeakPolarHBondContact O-CB 3.49Å; F244-F247 PolarHBondContact O-N 3.24Å; R245-F247 VanDerWaalsContact C-N 3.35Å; R245-F247 PolarHBondContact O-N 2.8Å; F247-N250 PolarHBondContact O-N 3.23Å; F247-Q251 HydrophobicContact CE1-CG 4.24Å; F247-Q251 HydrophobicContact CE2-CG 4.28Å; F247-Q251 HydrophobicContact CZ-CG 4.04Å; F247-Q251 VanDerWaalsContact O-CG 3.29Å; F247-Q251 WeakPolarHBondContact O-CG 3.23Å; F247-Q251 PolarHBondContact O-N 3.34Å
248L91.9Very high92.1Very high1 Ų147.9 Ų47.91%0.00524%0.239CC..Hα-helixtrans-64.6-42.7178-67.2175.9000112.4F244 R245 Y246 Q251 N252 I253 E255 L258F244-L248 HydrophobicContact CD1-CD1 4.01Å; F244-L248 HydrophobicContact CD1-CG 4.47Å; F244-L248 HydrophobicContact CE1-CD1 3.54Å; F244-L248 HydrophobicContact CE1-CD2 4.47Å; F244-L248 HydrophobicContact CE1-CG 4.14Å; F244-L248 HydrophobicContact CE2-CD1 4.49Å; F244-L248 HydrophobicContact CE2-CD2 4.1Å; F244-L248 HydrophobicContact CE2-CG 4.22Å; F244-L248 HydrophobicContact CZ-CD1 3.82Å; F244-L248 HydrophobicContact CZ-CD2 3.88Å; F244-L248 HydrophobicContact CZ-CG 3.99Å; F244-L248 WeakPolarHBondContact O-CG 3.19Å; F244-L248 PolarHBondContact O-N 3.02Å; R245-L248 WeakPolarHBondContact O-CB 3.24Å; R245-L248 PolarHBondContact O-N 3.29Å; R245-L248 VanDerWaalsContact O-N 3.11Å; Y246-L248 PolarHBondContact O-N 2.72Å; L248-Q251 CarbonylContact O-C 3.53Å; L248-Q251 PolarHBondContact O-N 3.26Å; L248-Q251 VanDerWaalsContact O-N 3.07Å; L248-N252 PolarHBondContact O-N 3.05Å; L248-I253 HydrophobicContact CB-CB 4.27Å; L248-I253 HydrophobicContact CB-CD1 4.47Å; L248-I253 HydrophobicContact CD2-CB 4.36Å; L248-I253 HydrophobicContact CD2-CD1 3.51Å; L248-I253 HydrophobicContact CD2-CG2 4.23Å; L248-I253 PolarHBondContact O-N 3.3Å; L248-I253 VanDerWaalsContact O-N 3.08Å; L248-E255 HydrophobicContact CB-CB 4.29Å; L248-E255 HydrophobicContact CB-CG 4.28Å; L248-E255 HydrophobicContact CD1-CB 4.28Å; L248-E255 HydrophobicContact CD1-CG 3.67Å; L248-L258 HydrophobicContact CD1-CD2 3.81Å
249Q89.6Confident92.1Very high112 Ų11247.7 Ų47.752%0.52324%0.238SC..Hα-helixtrans-59.6-47.5175.8-71.7167.8-17.600111.2R245 Y246 Q251 N252R245-Q249 WeakPolarHBondContact O-CG 3.29Å; R245-Q249 PolarHBondContact O-N 3.01Å; Y246-Q249 PolarHBondContact O-N 3.29Å; Q249-Q251 PolarHBondContact O-N 2.77Å; Q249-N252 PolarHBondContact O-N 3.35Å
250N91.1Very high92.1Very high85 Ų8547.7 Ų47.746%0.45524%0.238SC..THydrogen-bonded Turntrans-63.9-9.1174.9-76.2-1.9000114.5Y246 F247Y246-N250 WeakPolarHBondContact CE1-ND2 3.1Å; Y246-N250 WeakPolarHBondContact O-CB 3.29Å; Y246-N250 PolarHBondContact O-N 2.78Å; Y246-N250 PolarHBondContact OH-ND2 3.47Å; Y246-N250 VanDerWaalsContact OH-ND2 3.12Å; F247-N250 PolarHBondContact O-N 3.23Å
251Q89.2Confident92.1Very high115 Ų11549.9 Ų49.954%0.53724%0.244SC..THydrogen-bonded Turntrans-108.311.3174.2-62.4-63.5-9100112.2F247 L248 Q249 I253F247-Q251 HydrophobicContact CE1-CG 4.24Å; F247-Q251 HydrophobicContact CE2-CG 4.28Å; F247-Q251 HydrophobicContact CZ-CG 4.04Å; F247-Q251 VanDerWaalsContact O-CG 3.29Å; F247-Q251 WeakPolarHBondContact O-CG 3.23Å; F247-Q251 PolarHBondContact O-N 3.34Å; L248-Q251 CarbonylContact O-C 3.53Å; L248-Q251 PolarHBondContact O-N 3.26Å; L248-Q251 VanDerWaalsContact O-N 3.07Å; Q249-Q251 PolarHBondContact O-N 2.77Å; Q251-I253 HydrophobicContact CB-CD1 3.64Å; Q251-I253 HydrophobicContact CB-CG1 4.06Å; Q251-I253 PolarHBondContact O-N 2.77Å
252N89.8Confident92.2Very high157 Ų15749.9 Ų49.984%0.8424%0.244SC*.THydrogen-bonded Turntrans55.132.1-177-60.4-51.1000113.7L248 Q249L248-N252 PolarHBondContact O-N 3.05Å; Q249-N252 PolarHBondContact O-N 3.35Å
253I89.3Confident92.3Very high31 Ų3148.9 Ų48.916%0.15924%0.236CC..  trans-86.9133.2177.2-62.7156.9000108.7L248 Q251 E255 F297L248-I253 HydrophobicContact CB-CB 4.27Å; L248-I253 HydrophobicContact CB-CD1 4.47Å; L248-I253 HydrophobicContact CD2-CB 4.36Å; L248-I253 HydrophobicContact CD2-CD1 3.51Å; L248-I253 HydrophobicContact CD2-CG2 4.23Å; L248-I253 PolarHBondContact O-N 3.3Å; L248-I253 VanDerWaalsContact O-N 3.08Å; Q251-I253 HydrophobicContact CB-CD1 3.64Å; Q251-I253 HydrophobicContact CB-CG1 4.06Å; Q251-I253 PolarHBondContact O-N 2.77Å; I253-E255 VanDerWaalsContact C-N 3.25Å; I253-E255 PolarHBondContact O-N 3.36Å; I253-F297 HydrophobicContact CD1-CD1 4.36Å; I253-F297 HydrophobicContact CD1-CE1 3.39Å; I253-F297 HydrophobicContact CD1-CE2 4.48Å; I253-F297 HydrophobicContact CD1-CZ 3.46Å; I253-F297 VanDerWaalsContact CD1-CZ 3.46Å; I253-F297 HydrophobicContact CG1-CE1 3.96Å; I253-F297 HydrophobicContact CG1-CE2 4.38Å; I253-F297 HydrophobicContact CG1-CZ 3.79Å; I253-F297 HydrophobicContact CG2-CD1 4.06Å; I253-F297 HydrophobicContact CG2-CE1 4.15Å; I253-F297 HydrophobicContact CG2-CG 4.46Å
254N88.2Confident92.4Very high80 Ų8046.2 Ų46.243%0.42823%0.226SC..  trans-68.485.1172.5-174.4-22000110.2P256 F257 L258N254-P256 WeakPolarHBondContact OD1-CD 3.44Å; N254-F257 HydrophobicContact CB-CB 4.3Å; N254-F257 VanDerWaalsContact CG-CB 3.5Å; N254-F257 PolarHBondContact O-N 3.41Å; N254-F257 VanDerWaalsContact OD1-CB 3.27Å; N254-F257 WeakPolarHBondContact OD1-CB 3.43Å; N254-F257 PolarHBondContact OD1-N 2.68Å; N254-L258 PolarHBondContact O-N 3.36Å
255E89.8Confident92.6Very high14 Ų1446.2 Ų46.27%0.06523%0.226CC..Hα-helixtrans-63.6-45.3-179.9-170-76.1129.700112.5R245 L248 I253 F257 L258 W259R245-E255 HydrophobicContact CB-CG 4.45Å; R245-E255 HydrophobicContact CG-CG 4.17Å; R245-E255 IonicContact CZ-OE1 3.77Å; R245-E255 IonicContact CZ-OE2 2.79Å; R245-E255 IonicContact NE-OE1 2.72Å; R245-E255 IonicContact NH1-OE1 3.83Å; R245-E255 PolarHBondContact NH1-OE1 3.4Å; R245-E255 IonicContact NH1-OE2 3.5Å; R245-E255 PolarHBondContact NH1-OE2 3.39Å; R245-E255 IonicContact NH2-OE1 2.92Å; L248-E255 HydrophobicContact CB-CB 4.29Å; L248-E255 HydrophobicContact CB-CG 4.28Å; L248-E255 HydrophobicContact CD1-CB 4.28Å; L248-E255 HydrophobicContact CD1-CG 3.67Å; I253-E255 VanDerWaalsContact C-N 3.25Å; I253-E255 PolarHBondContact O-N 3.36Å; E255-F257 VanDerWaalsContact C-N 3.3Å; E255-F257 PolarHBondContact O-N 2.89Å; E255-L258 WeakPolarHBondContact O-CB 3.06Å; E255-L258 PolarHBondContact O-N 2.83Å; E255-L258 VanDerWaalsContact O-N 3.1Å; E255-W259 PolarHBondContact O-N 2.87Å; E255-W259 WeakPolarHBondContact OE1-CB 3.4Å
256P89.4Confident92.9Very high66 Ų6645.2 Ų45.243%0.42922%0.222SC..Hα-helixtrans-54.5-41.5175.3-28.636.2000113.8N254 W259 Q260 V529N254-P256 WeakPolarHBondContact OD1-CD 3.44Å; P256-W259 PolarHBondContact O-N 3.33Å; P256-Q260 PolarHBondContact O-N 2.89Å; P256-V529 HydrophobicContact CB-CG1 4.29Å
257F90.9Very high93.2Very high61 Ų6142 Ų4227%0.26821%0.21SC..Hα-helixtrans-69.6-39.1177-178.9-119.1000112.9N254 E255 W259 Q260 R261 T526 V529 A530N254-F257 HydrophobicContact CB-CB 4.3Å; N254-F257 VanDerWaalsContact CG-CB 3.5Å; N254-F257 PolarHBondContact O-N 3.41Å; N254-F257 VanDerWaalsContact OD1-CB 3.27Å; N254-F257 WeakPolarHBondContact OD1-CB 3.43Å; N254-F257 PolarHBondContact OD1-N 2.68Å; E255-F257 VanDerWaalsContact C-N 3.3Å; E255-F257 PolarHBondContact O-N 2.89Å; F257-W259 VanDerWaalsContact C-N 3.33Å; F257-Q260 PolarHBondContact O-N 3.15Å; F257-R261 HydrophobicContact CE2-CG 4.34Å; F257-R261 HydrophobicContact CZ-CG 4.38Å; F257-R261 VanDerWaalsContact O-CG 3.3Å; F257-R261 WeakPolarHBondContact O-CG 3.28Å; F257-R261 PolarHBondContact O-N 2.81Å; F257-R261 VanDerWaalsContact O-N 3.15Å; F257-T526 HydrophobicContact CE2-CG2 4.1Å; F257-V529 HydrophobicContact CB-CG1 4.25Å; F257-V529 HydrophobicContact CD2-CG1 4.46Å; F257-A530 HydrophobicContact CD2-CB 3.91Å; F257-A530 HydrophobicContact CE2-CB 3.61Å; F257-A530 HydrophobicContact CZ-CB 4.26Å
258L94.4Very high93.5Very high6 Ų640.7 Ų40.73%0.03120%0.204CC..Hα-helixtrans-61.4-43.6172.3173.961000111.1L248 N254 E255 R261 I262 I293 P299L248-L258 HydrophobicContact CD1-CD2 3.81Å; N254-L258 PolarHBondContact O-N 3.36Å; E255-L258 WeakPolarHBondContact O-CB 3.06Å; E255-L258 PolarHBondContact O-N 2.83Å; E255-L258 VanDerWaalsContact O-N 3.1Å; L258-R261 PolarHBondContact O-N 2.68Å; L258-I262 HydrophobicContact CG-CD1 4.4Å; L258-I262 PolarHBondContact O-N 2.69Å; L258-I262 VanDerWaalsContact O-N 3.1Å; L258-I293 HydrophobicContact CD1-CD1 4.34Å; L258-I293 HydrophobicContact CD1-CG1 4.37Å; L258-I293 HydrophobicContact CD2-CD1 3.9Å; L258-P299 HydrophobicContact CD1-CB 4.45Å; L258-P299 HydrophobicContact CD1-CG 4.24Å
259W94.1Very high93.8Very high5 Ų540.6 Ų40.62%0.01920%0.204CC..Hα-helixtrans-67.4-40.2178.8-168.3-110.3000112.6I175 I189 M241 R245 E255 P256 F257 R261 I262 N263 W554I175-W259 HydrophobicContact CD1-CH2 4.07Å; I175-W259 HydrophobicContact CD1-CZ3 3.87Å; I175-W259 HydrophobicContact CG2-CH2 4.22Å; I189-W259 HydrophobicContact CG2-CH2 4.19Å; I189-W259 HydrophobicContact CG2-CZ2 3.81Å; M241-W259 HydrophobicContact CE-CH2 4.41Å; M241-W259 HydrophobicContact CE-CZ3 3.89Å; M241-W259 HydrophobicContact SD-CZ3 4.18Å; R245-W259 VanDerWaalsContact NH2-CE3 3.34Å; E255-W259 PolarHBondContact O-N 2.87Å; E255-W259 WeakPolarHBondContact OE1-CB 3.4Å; P256-W259 PolarHBondContact O-N 3.33Å; F257-W259 VanDerWaalsContact C-N 3.33Å; W259-R261 VanDerWaalsContact C-N 3.25Å; W259-R261 PolarHBondContact O-N 3.15Å; W259-I262 HydrophobicContact CD2-CG2 4.43Å; W259-I262 HydrophobicContact CE3-CB 4.33Å; W259-I262 HydrophobicContact CE3-CD1 3.97Å; W259-I262 HydrophobicContact CE3-CG2 4.03Å; W259-I262 HydrophobicContact CH2-CG2 4.43Å; W259-I262 HydrophobicContact CZ3-CD1 4.3Å; W259-I262 HydrophobicContact CZ3-CG2 4.03Å; W259-I262 CarbonylContact O-C 3.58Å; W259-I262 WeakPolarHBondContact O-CA 3.44Å; W259-I262 VanDerWaalsContact O-CB 3.3Å; W259-I262 WeakPolarHBondContact O-CB 3.36Å; W259-I262 PolarHBondContact O-N 3.39Å; W259-N263 PolarHBondContact NE1-OD1 2.79Å; W259-N263 PolarHBondContact O-N 3.45Å; W259-W554 AromaticContact CD1-CD1 3.77Å; W259-W554 AromaticContact CD1-CD2 3.37Å; W259-W554 AromaticContact CD1-CE2 3.56Å; W259-W554 AromaticContact CD1-CE3 3.85Å; W259-W554 AromaticContact CD1-CG 3.51Å; W259-W554 AromaticContact CD1-NE1 3.78Å; W259-W554 AromaticContact CE2-CE3 3.86Å; W259-W554 AromaticContact CE2-CZ3 3.89Å; W259-W554 HydrophobicContact CZ2-CE3 4.2Å; W259-W554 HydrophobicContact CZ2-CH2 4.33Å; W259-W554 AromaticContact CZ2-CZ3 3.88Å; W259-W554 HydrophobicContact CZ2-CZ3 3.88Å; W259-W554 AromaticContact NE1-CD2 3.02Å; W259-W554 AromaticContact NE1-CE2 3.21Å; W259-W554 AromaticContact NE1-CE3 3.06Å; W259-W554 AromaticContact NE1-CG 3.7Å; W259-W554 AromaticContact NE1-CH2 3.5Å; W259-W554 AromaticContact NE1-CZ2 3.45Å; W259-W554 AromaticContact NE1-CZ3 3.31Å; W259-W554 VanDerWaalsContact NE1-CZ3 3.31Å; W259-W554 AromaticContact NE1-NE1 3.92Å
260Q94.3Very high94.2Very high8 Ų835.3 Ų35.34%0.03718%0.179CC..Hα-helixtrans-61.7-35.4174.2-176.354.128.800112.2P256 F257 I262 N263 N264 V529P256-Q260 PolarHBondContact O-N 2.89Å; F257-Q260 PolarHBondContact O-N 3.15Å; Q260-I262 VanDerWaalsContact C-N 3.31Å; Q260-I262 PolarHBondContact O-N 2.86Å; Q260-N263 PolarHBondContact O-N 2.98Å; Q260-N263 PolarHBondContact OE1-ND2 2.8Å; Q260-N264 PolarHBondContact NE2-OD1 2.71Å; Q260-N264 PolarHBondContact O-N 2.84Å; Q260-N264 PolarHBondContact O-OD1 2.83Å; Q260-V529 HydrophobicContact CB-CB 4.32Å; Q260-V529 HydrophobicContact CB-CG1 4.05Å; Q260-V529 HydrophobicContact CB-CG2 4.3Å; Q260-V529 HydrophobicContact CG-CB 4.35Å; Q260-V529 HydrophobicContact CG-CG2 4.12Å
261R96.3Very high94.5Very high68 Ų6831.3 Ų31.326%0.25716%0.158SC..Hα-helixtrans-68-31.1173.4-67.1170.671.6-162.34.8112.4F257 L258 W259 I265 F297 P299F257-R261 HydrophobicContact CE2-CG 4.34Å; F257-R261 HydrophobicContact CZ-CG 4.38Å; F257-R261 VanDerWaalsContact O-CG 3.3Å; F257-R261 WeakPolarHBondContact O-CG 3.28Å; F257-R261 PolarHBondContact O-N 2.81Å; F257-R261 VanDerWaalsContact O-N 3.15Å; L258-R261 PolarHBondContact O-N 2.68Å; W259-R261 VanDerWaalsContact C-N 3.25Å; W259-R261 PolarHBondContact O-N 3.15Å; R261-I265 WeakPolarHBondContact O-CG1 3.22Å; R261-I265 PolarHBondContact O-N 3.4Å; R261-F297 PolarHBondContact NH1-O 2.77Å; R261-P299 HydrophobicContact CB-CG 3.8Å
262I97.6Very high94.8Very high2 Ų225.9 Ų25.91%0.0113%0.133CC..Hα-helixtrans-69-45.4171.4-77.1168.8000111.1L173 I175 L258 W259 Q260 N264 I265 V266 I291 P299L173-I262 HydrophobicContact CD1-CD1 3.95Å; I175-I262 HydrophobicContact CD1-CD1 4.34Å; I175-I262 HydrophobicContact CD1-CG2 3.37Å; L258-I262 HydrophobicContact CG-CD1 4.4Å; L258-I262 PolarHBondContact O-N 2.69Å; L258-I262 VanDerWaalsContact O-N 3.1Å; W259-I262 HydrophobicContact CD2-CG2 4.43Å; W259-I262 HydrophobicContact CE3-CB 4.33Å; W259-I262 HydrophobicContact CE3-CD1 3.97Å; W259-I262 HydrophobicContact CE3-CG2 4.03Å; W259-I262 HydrophobicContact CH2-CG2 4.43Å; W259-I262 HydrophobicContact CZ3-CD1 4.3Å; W259-I262 HydrophobicContact CZ3-CG2 4.03Å; W259-I262 CarbonylContact O-C 3.58Å; W259-I262 WeakPolarHBondContact O-CA 3.44Å; W259-I262 VanDerWaalsContact O-CB 3.3Å; W259-I262 WeakPolarHBondContact O-CB 3.36Å; W259-I262 PolarHBondContact O-N 3.39Å; Q260-I262 VanDerWaalsContact C-N 3.31Å; Q260-I262 PolarHBondContact O-N 2.86Å; I262-N264 VanDerWaalsContact C-N 3.3Å; I262-N264 PolarHBondContact O-N 3.19Å; I262-I265 WeakPolarHBondContact O-CB 3.21Å; I262-I265 PolarHBondContact O-N 3.19Å; I262-I265 VanDerWaalsContact O-N 3.07Å; I262-V266 PolarHBondContact O-N 2.84Å; I262-V266 VanDerWaalsContact O-N 3.11Å; I262-I291 HydrophobicContact CB-CD1 4.43Å; I262-I291 HydrophobicContact CG1-CD1 4.16Å; I262-I291 HydrophobicContact CG1-CG2 4.42Å; I262-I291 HydrophobicContact CG2-CD1 3.95Å; I262-P299 HydrophobicContact CG1-CB 3.79Å; I262-P299 HydrophobicContact CG1-CG 4.1Å
263N96.6Very high95.2Very high7 Ų718.5 Ų18.54%0.0379%0.093CC..Hα-helixtrans-56.6-44.8174.4-66.2-20.7000111.1W259 Q260 I265 V266 T267 W554W259-N263 PolarHBondContact NE1-OD1 2.79Å; W259-N263 PolarHBondContact O-N 3.45Å; Q260-N263 PolarHBondContact O-N 2.98Å; Q260-N263 PolarHBondContact OE1-ND2 2.8Å; N263-I265 VanDerWaalsContact C-N 3.34Å; N263-I265 PolarHBondContact O-N 3.41Å; N263-V266 PolarHBondContact O-N 3.19Å; N263-T267 PolarHBondContact O-N 2.91Å; N263-T267 PolarHBondContact O-OG1 2.85Å; N263-W554 WeakPolarHBondContact ND2-CZ2 3.49Å; N263-W554 PolarHBondContact ND2-NE1 3.48Å
264N97Very high95.5Very high23 Ų2317.4 Ų17.412%0.1239%0.088CC..Hα-helixtrans-57.7-43.9174.6-67.9-9.4000112Q260 I262 V266 T267 L268 T526Q260-N264 PolarHBondContact NE2-OD1 2.71Å; Q260-N264 PolarHBondContact O-N 2.84Å; Q260-N264 PolarHBondContact O-OD1 2.83Å; I262-N264 VanDerWaalsContact C-N 3.3Å; I262-N264 PolarHBondContact O-N 3.19Å; N264-V266 VanDerWaalsContact C-N 3.33Å; N264-V266 PolarHBondContact O-N 3.46Å; N264-T267 PolarHBondContact O-N 3.01Å; N264-L268 HydrophobicContact CB-CD1 4.37Å; N264-L268 WeakPolarHBondContact O-CB 3.37Å; N264-L268 WeakPolarHBondContact O-CD1 3.46Å; N264-L268 WeakPolarHBondContact O-CG 3.41Å; N264-L268 PolarHBondContact O-N 3.25Å; N264-T526 PolarHBondContact ND2-OG1 2.66Å
265I98.6Very high95.7Very high4 Ų418.3 Ų18.32%0.02110%0.098CC..Hα-helixtrans-58.6-46.1177.2-72.3171000110.9F95 R261 I262 N263 T269 I291 P299 L301F95-I265 HydrophobicContact CB-CD1 3.85Å; F95-I265 HydrophobicContact CB-CG1 3.67Å; F95-I265 HydrophobicContact CD1-CG1 4.25Å; F95-I265 HydrophobicContact CD2-CB 4.32Å; F95-I265 HydrophobicContact CD2-CG1 3.88Å; F95-I265 HydrophobicContact CD2-CG2 3.89Å; F95-I265 HydrophobicContact CE2-CG2 4.11Å; F95-I265 HydrophobicContact CG-CD1 4.36Å; F95-I265 HydrophobicContact CG-CG1 3.69Å; R261-I265 WeakPolarHBondContact O-CG1 3.22Å; R261-I265 PolarHBondContact O-N 3.4Å; I262-I265 WeakPolarHBondContact O-CB 3.21Å; I262-I265 PolarHBondContact O-N 3.19Å; I262-I265 VanDerWaalsContact O-N 3.07Å; N263-I265 VanDerWaalsContact C-N 3.34Å; N263-I265 PolarHBondContact O-N 3.41Å; I265-T269 VanDerWaalsContact O-CB 3.24Å; I265-T269 WeakPolarHBondContact O-CB 3.27Å; I265-T269 PolarHBondContact O-N 3Å; I265-T269 PolarHBondContact O-OG1 3.21Å; I265-I291 HydrophobicContact CG2-CD1 4.17Å; I265-P299 HydrophobicContact CD1-CB 3.73Å; I265-P299 HydrophobicContact CD1-CG 3.77Å; I265-L301 HydrophobicContact CG2-CB 3.92Å; I265-L301 HydrophobicContact CG2-CD1 4.28Å; I265-L301 HydrophobicContact CG2-CD2 4.39Å; I265-L301 HydrophobicContact CG2-CG 4.43Å
266V98.7Very high95.8Very high0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-62-53.7179.5173.30000110.6V177 V187 I189 I262 N263 N264 T269 L270 F289V177-V266 HydrophobicContact CB-CG1 4.39Å; V177-V266 HydrophobicContact CG1-CG1 3.61Å; V177-V266 HydrophobicContact CG2-CG1 3.94Å; V177-V266 HydrophobicContact CG2-CG2 4.03Å; V187-V266 HydrophobicContact CG1-CG1 4.22Å; I189-V266 HydrophobicContact CD1-CB 4.01Å; I189-V266 HydrophobicContact CD1-CG1 4.01Å; I189-V266 HydrophobicContact CD1-CG2 3.86Å; I189-V266 HydrophobicContact CG1-CG1 4.45Å; I262-V266 PolarHBondContact O-N 2.84Å; I262-V266 VanDerWaalsContact O-N 3.11Å; N263-V266 PolarHBondContact O-N 3.19Å; N264-V266 VanDerWaalsContact C-N 3.33Å; N264-V266 PolarHBondContact O-N 3.46Å; V266-T269 PolarHBondContact O-N 3.42Å; V266-L270 HydrophobicContact CG1-CD1 3.93Å; V266-L270 WeakPolarHBondContact O-CG 3.44Å; V266-L270 PolarHBondContact O-N 3.24Å; V266-F289 HydrophobicContact CB-CE1 4.36Å; V266-F289 HydrophobicContact CG1-CE1 4.45Å; V266-F289 HydrophobicContact CG1-CE2 4.34Å; V266-F289 HydrophobicContact CG1-CZ 4.12Å; V266-F289 HydrophobicContact CG2-CD1 3.92Å; V266-F289 HydrophobicContact CG2-CE1 4.08Å; V266-F289 HydrophobicContact CG2-CG 4.18Å; V266-F289 HydrophobicContact CG2-CZ 4.46Å
267T97.9Very high96Very high2 Ų217.8 Ų17.81%0.01210%0.097CC..Hα-helixtrans-61.1-50-179.2-57.30000111.6N263 N264 T269 L270 L271 F499 L522N263-T267 PolarHBondContact O-N 2.91Å; N263-T267 PolarHBondContact O-OG1 2.85Å; N264-T267 PolarHBondContact O-N 3.01Å; T267-T269 PolarHBondContact O-N 3.46Å; T267-L270 PolarHBondContact O-N 3.48Å; T267-L270 VanDerWaalsContact O-N 3.11Å; T267-L271 HydrophobicContact CG2-CD1 4.1Å; T267-L271 HydrophobicContact CG2-CG 4.3Å; T267-L271 VanDerWaalsContact O-CG 3.27Å; T267-L271 WeakPolarHBondContact O-CG 3.44Å; T267-L271 PolarHBondContact O-N 3.03Å; T267-F499 HydrophobicContact CG2-CD2 3.76Å; T267-F499 HydrophobicContact CG2-CE2 4.32Å; T267-F499 HydrophobicContact CG2-CG 4.38Å; T267-L522 HydrophobicContact CG2-CD1 3.94Å; T267-L522 HydrophobicContact CG2-CD2 4.37Å
268L98.4Very high96.1Very high7 Ų717.6 Ų17.64%0.03710%0.102CC..Hα-helixtrans-61-32.4178.8-66.2170.4000112.6Y93 F95 N264 L271 L519 L522Y93-L268 HydrophobicContact CE1-CB 3.85Å; Y93-L268 HydrophobicContact CE2-CD2 4.2Å; Y93-L268 PolarHBondContact OH-O 2.87Å; F95-L268 HydrophobicContact CD1-CD1 4.3Å; F95-L268 HydrophobicContact CE1-CB 3.78Å; F95-L268 HydrophobicContact CE1-CD1 3.7Å; F95-L268 HydrophobicContact CE1-CG 4.39Å; F95-L268 HydrophobicContact CZ-CB 3.83Å; N264-L268 HydrophobicContact CB-CD1 4.37Å; N264-L268 WeakPolarHBondContact O-CB 3.37Å; N264-L268 WeakPolarHBondContact O-CD1 3.46Å; N264-L268 WeakPolarHBondContact O-CG 3.41Å; N264-L268 PolarHBondContact O-N 3.25Å; L268-L271 HydrophobicContact CD2-CD1 4.36Å; L268-L519 HydrophobicContact CD2-CD2 3.21Å; L268-L522 HydrophobicContact CD2-CD1 4.07Å; L268-L522 HydrophobicContact CG-CD1 4.43Å
269T98.6Very high95.8Very high0 Ų021.3 Ų21.30%012%0.122CC..Hα-helixtrans-69.9-44.3174.3-58.10000111.4I71 L77 I265 V266 T267 S272 F289 L301 V304I71-T269 HydrophobicContact CB-CG2 4.15Å; I71-T269 HydrophobicContact CD1-CG2 4.34Å; I71-T269 HydrophobicContact CG2-CG2 3.92Å; L77-T269 HydrophobicContact CD1-CG2 3.9Å; I265-T269 VanDerWaalsContact O-CB 3.24Å; I265-T269 WeakPolarHBondContact O-CB 3.27Å; I265-T269 PolarHBondContact O-N 3Å; I265-T269 PolarHBondContact O-OG1 3.21Å; V266-T269 PolarHBondContact O-N 3.42Å; T267-T269 PolarHBondContact O-N 3.46Å; T269-S272 VanDerWaalsContact O-CB 3.31Å; T269-S272 WeakPolarHBondContact O-CB 3.24Å; T269-S272 PolarHBondContact O-N 2.73Å; T269-S272 PolarHBondContact O-OG 3.14Å; T269-F289 HydrophobicContact CG2-CE1 3.97Å; T269-F289 HydrophobicContact CG2-CZ 4.29Å; T269-L301 HydrophobicContact CG2-CD2 4.06Å; T269-L301 WeakPolarHBondContact OG1-CD2 3.41Å; T269-V304 HydrophobicContact CG2-CG2 4.14Å
270L98.3Very high95.6Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-67.4-39179-69.8169.5000112.8I71 V177 V179 F182 V187 V266 T267 S272 I273 T274 F287I71-L270 HydrophobicContact CD1-CD2 3.78Å; V177-L270 HydrophobicContact CG1-CD1 4.49Å; V179-L270 HydrophobicContact CG2-CD1 3.77Å; V179-L270 HydrophobicContact CG2-CD2 3.83Å; V179-L270 HydrophobicContact CG2-CG 4.48Å; F182-L270 HydrophobicContact CE1-CD2 4.3Å; F182-L270 HydrophobicContact CZ-CD2 4.3Å; V187-L270 HydrophobicContact CB-CD1 4.29Å; V187-L270 HydrophobicContact CG1-CD1 3.65Å; V187-L270 HydrophobicContact CG2-CD1 3.58Å; V266-L270 HydrophobicContact CG1-CD1 3.93Å; V266-L270 WeakPolarHBondContact O-CG 3.44Å; V266-L270 PolarHBondContact O-N 3.24Å; T267-L270 PolarHBondContact O-N 3.48Å; T267-L270 VanDerWaalsContact O-N 3.11Å; L270-S272 PolarHBondContact O-N 3.01Å; L270-S272 VanDerWaalsContact O-N 3.09Å; L270-I273 WeakPolarHBondContact O-CG1 3.35Å; L270-I273 PolarHBondContact O-N 2.95Å; L270-T274 PolarHBondContact O-N 3.46Å; L270-T274 PolarHBondContact O-OG1 3.42Å; L270-F287 HydrophobicContact CD2-CD2 4.3Å; L270-F287 HydrophobicContact CD2-CE2 3.77Å
271L96.9Very high95.1Very high1 Ų125.6 Ų25.61%0.00515%0.151CC..Hα-helixtrans-57.1-24.8173.7-66.9171.1000112.5M84 L185 T267 L268 I273 P275 L513 V518 L519M84-L271 HydrophobicContact CE-CB 4.31Å; L185-L271 HydrophobicContact CD2-CD2 3.95Å; T267-L271 HydrophobicContact CG2-CD1 4.1Å; T267-L271 HydrophobicContact CG2-CG 4.3Å; T267-L271 VanDerWaalsContact O-CG 3.27Å; T267-L271 WeakPolarHBondContact O-CG 3.44Å; T267-L271 PolarHBondContact O-N 3.03Å; L268-L271 HydrophobicContact CD2-CD1 4.36Å; L271-I273 VanDerWaalsContact C-N 3.26Å; L271-I273 PolarHBondContact O-N 3.33Å; L271-P275 WeakPolarHBondContact O-CD 3.4Å; L271-L513 HydrophobicContact CD2-CD1 3.85Å; L271-L513 HydrophobicContact CD2-CD2 3.74Å; L271-L513 HydrophobicContact CD2-CG 4.29Å; L271-V518 HydrophobicContact CD1-CG1 3.71Å; L271-V518 HydrophobicContact CD2-CG1 4.2Å; L271-L519 HydrophobicContact CD1-CD2 4.49Å
272S96.9Very high94.9Very high2 Ų224 Ų241%0.01415%0.148CC..THydrogen-bonded Turntrans-70.3-17.717883.60000114.5R83 T269 L270R83-S272 PolarHBondContact NH2-O 3.13Å; T269-S272 VanDerWaalsContact O-CB 3.31Å; T269-S272 WeakPolarHBondContact O-CB 3.24Å; T269-S272 PolarHBondContact O-N 2.73Å; T269-S272 PolarHBondContact O-OG 3.14Å; L270-S272 PolarHBondContact O-N 3.01Å; L270-S272 VanDerWaalsContact O-N 3.09Å
273I96.6Very high94.8Very high1 Ų123.9 Ų23.91%0.00515%0.147CC..THydrogen-bonded Turntrans-119.7-17.8175.457.3162000114.2I71 F182 L270 L271 P275 S276 V277I71-I273 HydrophobicContact CD1-CD1 3.8Å; I71-I273 HydrophobicContact CD1-CG1 4.44Å; I71-I273 HydrophobicContact CG1-CD1 3.91Å; I71-I273 HydrophobicContact CG2-CB 4.44Å; I71-I273 HydrophobicContact CG2-CD1 4.1Å; I71-I273 HydrophobicContact CG2-CG1 3.99Å; I71-I273 HydrophobicContact CG2-CG2 3.67Å; F182-I273 HydrophobicContact CE1-CD1 4.07Å; F182-I273 HydrophobicContact CE1-CG1 4.19Å; F182-I273 HydrophobicContact CZ-CD1 4.07Å; L270-I273 WeakPolarHBondContact O-CG1 3.35Å; L270-I273 PolarHBondContact O-N 2.95Å; L271-I273 VanDerWaalsContact C-N 3.26Å; L271-I273 PolarHBondContact O-N 3.33Å; I273-P275 VanDerWaalsContact C-CD 3.45Å; I273-P275 VanDerWaalsContact C-N 3.32Å; I273-P275 VanDerWaalsContact O-N 3.14Å; I273-S276 PolarHBondContact O-N 3.42Å; I273-S276 PolarHBondContact O-OG 3.05Å; I273-V277 HydrophobicContact CB-CG2 4.38Å; I273-V277 HydrophobicContact CD1-CG2 4.16Å; I273-V277 HydrophobicContact CG1-CG2 4.43Å; I273-V277 PolarHBondContact O-N 3.26Å
274T95.5Very high94.8Very high9 Ų923.7 Ų23.76%0.05515%0.147CC..THydrogen-bonded Turntrans-49.3-42.6-176.3-59.10000114F182 L185 L270 S276 L513F182-T274 HydrophobicContact CB-CG2 4.48Å; F182-T274 HydrophobicContact CD1-CG2 4.13Å; F182-T274 WeakPolarHBondContact O-CG2 3.25Å; L185-T274 HydrophobicContact CB-CG2 4.2Å; L185-T274 HydrophobicContact CD2-CG2 4.49Å; L270-T274 PolarHBondContact O-N 3.46Å; L270-T274 PolarHBondContact O-OG1 3.42Å; T274-S276 PolarHBondContact O-N 2.98Å; T274-L513 HydrophobicContact CG2-CD2 3.79Å
275P92.8Very high94.8Very high99 Ų9922.6 Ų22.664%0.64314%0.141SC*.THydrogen-bonded Turntrans-66.4-14.6176.7-22.134.5000115.9L271 I273 L513L271-P275 WeakPolarHBondContact O-CD 3.4Å; I273-P275 VanDerWaalsContact C-CD 3.45Å; I273-P275 VanDerWaalsContact C-N 3.32Å; I273-P275 VanDerWaalsContact O-N 3.14Å; P275-L513 HydrophobicContact CG-CD2 3.99Å
276S92.9Very high94.7Very high55 Ų5522.9 Ų22.939%0.38514%0.142SC..THydrogen-bonded Turntrans-103.1-23.9-177.976.30000113.4K67 I273 T274K67-S276 WeakPolarHBondContact CD-O 3.38Å; K67-S276 WeakPolarHBondContact CE-O 3.25Å; K67-S276 PolarHBondContact NZ-O 2.93Å; I273-S276 PolarHBondContact O-N 3.42Å; I273-S276 PolarHBondContact O-OG 3.05Å; T274-S276 PolarHBondContact O-N 2.98Å
277V93.6Very high94.7Very high14 Ų1422.9 Ų22.99%0.08514%0.142CC..SBendtrans-73.9120.8177.4179.90000109.3H65 F182 I273H65-V277 HydrophobicContact CB-CG1 4.46Å; F182-V277 HydrophobicContact CB-CB 4.19Å; F182-V277 HydrophobicContact CB-CG1 4Å; F182-V277 HydrophobicContact CD1-CB 4.21Å; F182-V277 HydrophobicContact CD1-CG1 4.44Å; F182-V277 HydrophobicContact CD1-CG2 4.23Å; F182-V277 HydrophobicContact CD2-CB 4.23Å; F182-V277 HydrophobicContact CD2-CG1 3.58Å; F182-V277 HydrophobicContact CD2-CG2 4.49Å; F182-V277 HydrophobicContact CE1-CG2 4.22Å; F182-V277 HydrophobicContact CE2-CG1 4.1Å; F182-V277 HydrophobicContact CE2-CG2 4.46Å; F182-V277 HydrophobicContact CG-CB 3.96Å; F182-V277 HydrophobicContact CG-CG1 3.75Å; F182-V277 HydrophobicContact CG-CG2 4.35Å; F182-V277 HydrophobicContact CZ-CG2 4.32Å; I273-V277 HydrophobicContact CB-CG2 4.38Å; I273-V277 HydrophobicContact CD1-CG2 4.16Å; I273-V277 HydrophobicContact CG1-CG2 4.43Å; I273-V277 PolarHBondContact O-N 3.26Å
278P91.4Very high94.7Very high56 Ų5622.8 Ų22.836%0.36414%0.142SC..PPolyproline II helixtrans-67.8156.6175.830.6-37.2000111.6P66 C280P66-P278 HydrophobicContact CB-CG 4.3Å; P66-P278 HydrophobicContact CG-CG 3.53Å; P278-C280 PolarHBondContact O-N 2.8Å
279D88.4Confident94.8Very high85 Ų8522.5 Ų22.546%0.45514%0.14SC..PPolyproline II helixtrans-63.2129.7173.5-163.2-7.5000110.7N183N183-D279 HydrophobicContact CB-CB 4.31Å; N183-D279 PolarHBondContact ND2-OD2 2.92Å
280C89.4Confident94.8Very high20 Ų2022.6 Ų22.614%0.13514%0.141CC..  trans-153.770.3-170.3-82.40000108.4H65 P278 N282 C283H65-C280 PolarHBondContact CE1-O 3.01Å; P278-C280 PolarHBondContact O-N 2.8Å; C280-N282 PolarHBondContact O-N 3.22Å; C280-N282 VanDerWaalsContact O-N 3.14Å; C280-C283 HydrophobicContact CB-CB 4.09Å; C280-C283 WeakPolarHBondContact O-CB 3.32Å; C280-C283 PolarHBondContact O-N 3.01Å
281P85.4Confident94.8Very high83 Ų8322.6 Ų22.654%0.53914%0.141SC..THydrogen-bonded Turntrans-65-22.1-171.326.3-35.8000113.4K180 C283K180-P281 PolarHBondContact NZ-O 2.74Å; P281-C283 VanDerWaalsContact C-N 3.29Å
282N91.9Very high94.9Very high33 Ų3322.7 Ų22.718%0.17614%0.141CC..THydrogen-bonded Turntrans-853.2175.9-74-0000113.5L56 L57 Q60 R61 L62 C280L56-N282 HydrophobicContact CD1-CB 3.82Å; L57-N282 PolarHBondContact O-ND2 2.76Å; L57-N282 VanDerWaalsContact O-ND2 3.11Å; Q60-N282 WeakPolarHBondContact O-CB 3.47Å; Q60-N282 PolarHBondContact O-ND2 3.03Å; R61-N282 CarbonylContact C-O 3.57Å; R61-N282 WeakPolarHBondContact CA-O 3.12Å; R61-N282 WeakPolarHBondContact CB-O 3.48Å; R61-N282 WeakPolarHBondContact CD-O 3.38Å; R61-N282 PolarHBondContact NH1-OD1 3.29Å; L62-N282 PolarHBondContact N-O 3.5Å; C280-N282 PolarHBondContact O-N 3.22Å; C280-N282 VanDerWaalsContact O-N 3.14Å
283C95Very high94.9Very high0 Ų022.7 Ų22.70%014%0.141CC..BIsolated β-bridgetrans-98.8161.5173.1-63.70000111L62 H64 H65 K180 C280 P281L62-C283 WeakPolarHBondContact O-CA 3.36Å; H64-C283 WeakPolarHBondContact O-CB 3.49Å; H64-C283 PolarHBondContact O-SG 2.75Å; H64-C283 VanDerWaalsContact O-SG 3.4Å; H65-C283 VanDerWaalsContact CE1-CB 3.49Å; H65-C283 WeakPolarHBondContact CE1-CB 3.45Å; H65-C283 WeakPolarHBondContact ND1-CB 3.3Å; K180-C283 PolarHBondContact NZ-O 2.8Å; C280-C283 HydrophobicContact CB-CB 4.09Å; C280-C283 WeakPolarHBondContact O-CB 3.32Å; C280-C283 PolarHBondContact O-N 3.01Å; P281-C283 VanDerWaalsContact C-N 3.29Å
284V95.7Very high95Very high4 Ų423 Ų232%0.02414%0.143CC..  trans-153.2140.7170.660.40000106.7L62 N63 H64 C178 V179 K180 L328 M332L62-V284 PolarHBondContact O-N 3.38Å; N63-V284 CarbonylContact C-O 3.23Å; N63-V284 WeakPolarHBondContact CA-O 3.36Å; H64-V284 PolarHBondContact N-O 3.13Å; C178-V284 WeakPolarHBondContact SG-CG2 3.46Å; V179-V284 WeakPolarHBondContact O-CA 3.48Å; K180-V284 HydrophobicContact CD-CG2 4.2Å; V284-L328 HydrophobicContact CG2-CD1 4.01Å; V284-M332 HydrophobicContact CG1-CE 3.76Å; V284-M332 HydrophobicContact CG1-CG 4.04Å; V284-M332 HydrophobicContact CG1-SD 3.92Å
285E97.1Very high95Very high0 Ų026.3 Ų26.30%016%0.163CC..EExtended strand (participates in β ladder)trans-130.7123.8-174.1178.484.4-11900110.2H64 H65 T68 C178 V179 F287H64-E285 VanDerWaalsContact CA-OE2 3.24Å; H64-E285 WeakPolarHBondContact CA-OE2 3.36Å; H64-E285 IonicContact CE1-OE1 3.47Å; H64-E285 IonicContact CG-OE1 3.26Å; H64-E285 IonicContact CG-OE2 3.8Å; H64-E285 IonicContact ND1-OE1 3.58Å; H64-E285 PolarHBondContact ND1-OE1 2.95Å; H64-E285 IonicContact ND1-OE2 3.96Å; H65-E285 HydrophobicContact CB-CB 4.48Å; H65-E285 PolarHBondContact N-OE2 3.04Å; T68-E285 HydrophobicContact CG2-CG 4.3Å; T68-E285 WeakPolarHBondContact CG2-OE2 3.19Å; T68-E285 PolarHBondContact OG1-OE2 2.79Å; C178-E285 CarbonylContact C-O 3.59Å; C178-E285 WeakPolarHBondContact CA-O 3.28Å; V179-E285 PolarHBondContact N-O 2.93Å; V179-E285 PolarHBondContact O-N 3.03Å; E285-F287 HydrophobicContact CB-CE2 4.33Å; E285-F287 HydrophobicContact CB-CZ 4.48Å; E285-F287 HydrophobicContact CG-CD1 4.03Å; E285-F287 HydrophobicContact CG-CD2 3.97Å; E285-F287 HydrophobicContact CG-CE1 3.6Å; E285-F287 HydrophobicContact CG-CE2 3.55Å; E285-F287 HydrophobicContact CG-CG 4.21Å; E285-F287 HydrophobicContact CG-CZ 3.37Å
286L98.1Very high95.1Very high10 Ų1029.8 Ų29.85%0.05217%0.168CC..EExtended strand (participates in β ladder)trans-100.397.5176.6179.670.5000110.1P308 L324 I325 L328 F495L286-P308 HydrophobicContact CD2-CG 4.2Å; L286-P308 HydrophobicContact CG-CG 4.17Å; L286-P308 WeakPolarHBondContact O-CD 3.42Å; L286-P308 WeakPolarHBondContact O-CG 3.32Å; L286-L324 HydrophobicContact CD1-CD1 4.23Å; L286-L324 HydrophobicContact CD2-CD2 4.22Å; L286-I325 HydrophobicContact CD2-CD1 4.01Å; L286-L328 HydrophobicContact CB-CD2 4.08Å; L286-L328 HydrophobicContact CD2-CD2 4.07Å; L286-L328 HydrophobicContact CG-CD2 4.46Å; L286-F495 HydrophobicContact CD1-CE1 4.43Å; L286-F495 HydrophobicContact CD1-CZ 4Å
287F98.6Very high95.2Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-82.1147.1173.8-64-66.8000112.7T68 I71 T72 V177 V179 L270 E285 F289 V304 N305T68-F287 HydrophobicContact CG2-CE1 4.3Å; T68-F287 HydrophobicContact CG2-CZ 3.75Å; I71-F287 HydrophobicContact CD1-CE1 4.17Å; I71-F287 HydrophobicContact CD1-CE2 4.27Å; I71-F287 HydrophobicContact CD1-CZ 3.88Å; I71-F287 HydrophobicContact CG1-CE1 4.39Å; I71-F287 HydrophobicContact CG1-CZ 4.44Å; T72-F287 HydrophobicContact CG2-CD1 3.95Å; T72-F287 HydrophobicContact CG2-CE1 3.63Å; V177-F287 HydrophobicContact CB-CB 4.32Å; V177-F287 PolarHBondContact N-O 3.13Å; V177-F287 PolarHBondContact O-N 3.12Å; V179-F287 HydrophobicContact CB-CE2 4.43Å; V179-F287 HydrophobicContact CG2-CD2 3.98Å; V179-F287 HydrophobicContact CG2-CE2 3.77Å; L270-F287 HydrophobicContact CD2-CD2 4.3Å; L270-F287 HydrophobicContact CD2-CE2 3.77Å; E285-F287 HydrophobicContact CB-CE2 4.33Å; E285-F287 HydrophobicContact CB-CZ 4.48Å; E285-F287 HydrophobicContact CG-CD1 4.03Å; E285-F287 HydrophobicContact CG-CD2 3.97Å; E285-F287 HydrophobicContact CG-CE1 3.6Å; E285-F287 HydrophobicContact CG-CE2 3.55Å; E285-F287 HydrophobicContact CG-CG 4.21Å; E285-F287 HydrophobicContact CG-CZ 3.37Å; F287-F289 HydrophobicContact CB-CD2 3.86Å; F287-F289 HydrophobicContact CB-CE2 3.7Å; F287-F289 HydrophobicContact CD2-CE2 4.27Å; F287-F289 HydrophobicContact CG-CE2 4.14Å; F287-V304 HydrophobicContact CB-CG1 3.97Å; F287-V304 HydrophobicContact CD1-CG1 3.7Å; F287-V304 HydrophobicContact CE1-CG1 4.39Å; F287-V304 HydrophobicContact CG-CG1 3.98Å; F287-N305 CarbonylContact C-O 3.55Å; F287-N305 VanDerWaalsContact CA-O 3.32Å; F287-N305 WeakPolarHBondContact CA-O 3.43Å
288G98.3Very high95.4Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-106.3106160.300000111I175 N305I175-G288 CarbonylContact O-C 3.53Å; I175-G288 WeakPolarHBondContact O-CA 3.22Å; G288-N305 PolarHBondContact N-O 3.08Å; G288-N305 WeakPolarHBondContact O-CB 3.48Å; G288-N305 PolarHBondContact O-N 2.77Å; G288-N305 PolarHBondContact O-ND2 3.44Å
289F98.7Very high95.7Very high0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-83.4133.6173.5-82.5-111.4000110L173 R174 I175 V177 V266 T269 F287 L301 V304L173-F289 VanDerWaalsContact O-O 3.09Å; R174-F289 WeakPolarHBondContact CA-O 3.27Å; I175-F289 HydrophobicContact CB-CB 4.36Å; I175-F289 PolarHBondContact N-O 3.3Å; I175-F289 PolarHBondContact O-N 2.9Å; V177-F289 HydrophobicContact CB-CD2 3.92Å; V177-F289 HydrophobicContact CB-CE2 3.96Å; V177-F289 HydrophobicContact CG1-CE2 4.28Å; V177-F289 HydrophobicContact CG2-CB 4.5Å; V177-F289 HydrophobicContact CG2-CD2 3.4Å; V177-F289 VanDerWaalsContact CG2-CD2 3.4Å; V177-F289 HydrophobicContact CG2-CE2 3.82Å; V177-F289 HydrophobicContact CG2-CG 4.1Å; V266-F289 HydrophobicContact CB-CE1 4.36Å; V266-F289 HydrophobicContact CG1-CE1 4.45Å; V266-F289 HydrophobicContact CG1-CE2 4.34Å; V266-F289 HydrophobicContact CG1-CZ 4.12Å; V266-F289 HydrophobicContact CG2-CD1 3.92Å; V266-F289 HydrophobicContact CG2-CE1 4.08Å; V266-F289 HydrophobicContact CG2-CG 4.18Å; V266-F289 HydrophobicContact CG2-CZ 4.46Å; T269-F289 HydrophobicContact CG2-CE1 3.97Å; T269-F289 HydrophobicContact CG2-CZ 4.29Å; F287-F289 HydrophobicContact CB-CD2 3.86Å; F287-F289 HydrophobicContact CB-CE2 3.7Å; F287-F289 HydrophobicContact CD2-CE2 4.27Å; F287-F289 HydrophobicContact CG-CE2 4.14Å; F289-L301 HydrophobicContact CD1-CD1 3.76Å; F289-L301 HydrophobicContact CE1-CD1 4.37Å; F289-V304 HydrophobicContact CD1-CG2 3.83Å; F289-V304 HydrophobicContact CD2-CG1 3.9Å; F289-V304 HydrophobicContact CE1-CG1 4.43Å; F289-V304 HydrophobicContact CE1-CG2 3.62Å; F289-V304 HydrophobicContact CE2-CG1 3.66Å; F289-V304 HydrophobicContact CE2-CG2 4.35Å; F289-V304 HydrophobicContact CG-CG1 4.39Å; F289-V304 HydrophobicContact CG-CG2 4.28Å; F289-V304 HydrophobicContact CZ-CG1 3.95Å; F289-V304 HydrophobicContact CZ-CG2 3.9Å
290D98.4Very high96.2Very high3 Ų325.7 Ų25.72%0.01613%0.132CC..EExtended strand (participates in β ladder)trans-107.6110178.2-69.828.3000108.7L173 R174 R196 L302 E303 N305L173-D290 WeakPolarHBondContact O-CA 3.24Å; R174-D290 IonicContact CZ-OD1 3.98Å; R174-D290 IonicContact CZ-OD2 2.79Å; R174-D290 IonicContact NE-OD1 3.72Å; R174-D290 PolarHBondContact NE-OD1 2.88Å; R174-D290 IonicContact NH2-OD1 3.25Å; R174-D290 PolarHBondContact NH2-OD1 3.49Å; R174-D290 IonicContact NH2-OD2 3.85Å; R174-D290 PolarHBondContact NH2-OD2 3.31Å; R196-D290 IonicContact CZ-OD2 3.59Å; R196-D290 IonicContact NH1-OD2 3.98Å; R196-D290 IonicContact NH2-OD1 2.74Å; R196-D290 IonicContact NH2-OD2 2.77Å; R196-D290 PolarHBondContact NH2-OD2 3.47Å; D290-L302 HydrophobicContact CB-CB 4.15Å; D290-L302 WeakPolarHBondContact O-CB 3.4Å; D290-L302 PolarHBondContact O-N 2.78Å; D290-E303 HydrophobicContact CB-CG 3.68Å; D290-E303 PolarHBondContact N-O 3.05Å; D290-N305 PolarHBondContact OD1-ND2 3.34Å
291I98.7Very high96.6Very high0 Ų024.8 Ų24.80%013%0.126CC..EExtended strand (participates in β ladder)trans-117.8131.9-176.2-60.5-171.4000110.7L173 I175 I262 I265 P299 W300L173-I291 HydrophobicContact CB-CB 4.42Å; L173-I291 PolarHBondContact N-O 2.75Å; L173-I291 PolarHBondContact O-N 3.38Å; I175-I291 HydrophobicContact CD1-CD1 3.91Å; I175-I291 HydrophobicContact CD1-CG1 4.49Å; I262-I291 HydrophobicContact CB-CD1 4.43Å; I262-I291 HydrophobicContact CG1-CD1 4.16Å; I262-I291 HydrophobicContact CG1-CG2 4.42Å; I262-I291 HydrophobicContact CG2-CD1 3.95Å; I265-I291 HydrophobicContact CG2-CD1 4.17Å; I291-P299 HydrophobicContact CG2-CB 3.69Å; I291-W300 CarbonylContact C-O 3.58Å; I291-W300 VanDerWaalsContact CA-O 3.31Å; I291-W300 WeakPolarHBondContact CA-O 3.48Å
292L98.6Very high97.2Very high3 Ų322.7 Ų22.72%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-103.6137.6170.6-174.262.4000110I160 P163 F171 P299 W300 L302I160-L292 HydrophobicContact CB-CD2 3.79Å; I160-L292 HydrophobicContact CD1-CD2 3.8Å; I160-L292 HydrophobicContact CG1-CD2 4.39Å; I160-L292 HydrophobicContact CG2-CD2 3.89Å; P163-L292 HydrophobicContact CB-CD1 3.99Å; P163-L292 HydrophobicContact CB-CD2 4.29Å; P163-L292 HydrophobicContact CB-CG 4.4Å; F171-L292 WeakPolarHBondContact O-CD1 3.36Å; L292-P299 CarbonylContact O-C 3.56Å; L292-P299 WeakPolarHBondContact O-CA 3.46Å; L292-W300 PolarHBondContact N-O 2.69Å; L292-W300 PolarHBondContact O-N 3.36Å; L292-L302 HydrophobicContact CB-CD1 4.05Å; L292-L302 HydrophobicContact CB-CD2 3.97Å; L292-L302 HydrophobicContact CB-CG 4.09Å; L292-L302 HydrophobicContact CD2-CD2 4.45Å
293I98.4Very high97.4Very high1 Ų122.6 Ų22.61%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-100.6134.5170.4-61.6162.1000108.1L164 L173 F244 L258 F297 K298L164-I293 HydrophobicContact CB-CB 4.34Å; L164-I293 HydrophobicContact CB-CG2 4.12Å; L164-I293 WeakPolarHBondContact CB-O 3.39Å; L164-I293 HydrophobicContact CD2-CB 4.36Å; L164-I293 HydrophobicContact CD2-CG2 3.83Å; L164-I293 PolarHBondContact N-O 3.31Å; L173-I293 HydrophobicContact CD1-CD1 3.67Å; L173-I293 HydrophobicContact CD1-CG1 4.35Å; L173-I293 HydrophobicContact CG-CD1 4.38Å; F244-I293 HydrophobicContact CE1-CD1 4Å; F244-I293 HydrophobicContact CZ-CD1 3.73Å; L258-I293 HydrophobicContact CD1-CD1 4.34Å; L258-I293 HydrophobicContact CD1-CG1 4.37Å; L258-I293 HydrophobicContact CD2-CD1 3.9Å; I293-F297 HydrophobicContact CG2-CD1 4.26Å; I293-K298 WeakPolarHBondContact CA-O 3.39Å
294D97.5Very high97.5Very high9 Ų922.8 Ų22.85%0.04811%0.11CC..BIsolated β-bridgetrans-92.7172.6173.775.417.4000113I160 N162 K296 F297 K298 W300I160-D294 HydrophobicContact CG2-CB 4.25Å; N162-D294 WeakPolarHBondContact O-CA 2.98Å; N162-D294 WeakPolarHBondContact O-CB 3.3Å; D294-K296 PolarHBondContact O-N 3.39Å; D294-K296 WeakPolarHBondContact OD1-CA 3.39Å; D294-K296 WeakPolarHBondContact OD1-CB 3.48Å; D294-K296 PolarHBondContact OD1-N 3.37Å; D294-F297 WeakPolarHBondContact O-CA 3.32Å; D294-F297 PolarHBondContact O-N 3.42Å; D294-F297 PolarHBondContact OD1-N 3.08Å; D294-K298 PolarHBondContact N-O 3.31Å; D294-K298 WeakPolarHBondContact OD1-CB 3.42Å; D294-K298 PolarHBondContact OD1-N 3.18Å; D294-W300 PolarHBondContact OD2-NE1 2.75Å
295T96.1Very high97.5Very high78 Ų7824.3 Ų24.348%0.47912%0.117SC..THydrogen-bonded Turntrans-62.3-9.317953.70000115.2N162 P163N162-T295 HydrophobicContact CB-CG2 4.37Å; N162-T295 PolarHBondContact ND2-OG1 2.88Å; N162-T295 PolarHBondContact O-N 2.73Å; P163-T295 WeakPolarHBondContact O-CG2 3.4Å
296K95.4Very high97.1Very high171 Ų17127.4 Ų27.474%0.74313%0.132SC*.THydrogen-bonded Turntrans-101.719173.1-59.7-172.8177.5-172.70111.7D294 K298D294-K296 PolarHBondContact O-N 3.39Å; D294-K296 WeakPolarHBondContact OD1-CA 3.39Å; D294-K296 WeakPolarHBondContact OD1-CB 3.48Å; D294-K296 PolarHBondContact OD1-N 3.37Å; K296-K298 PolarHBondContact O-N 3.42Å; K296-K298 VanDerWaalsContact O-N 3.1Å
297F95.4Very high96.7Very high68 Ų6828.6 Ų28.630%0.29814%0.141SC..SBendtrans51.730.6-174.7-61.9-77.6000113.4L164 I253 R261 I293 D294 P299L164-F297 HydrophobicContact CD1-CE1 4.02Å; L164-F297 HydrophobicContact CD1-CZ 4.23Å; L164-F297 HydrophobicContact CD2-CD1 4.04Å; L164-F297 HydrophobicContact CD2-CE1 3.6Å; L164-F297 HydrophobicContact CG-CE1 4.48Å; I253-F297 HydrophobicContact CD1-CD1 4.36Å; I253-F297 HydrophobicContact CD1-CE1 3.39Å; I253-F297 HydrophobicContact CD1-CE2 4.48Å; I253-F297 HydrophobicContact CD1-CZ 3.46Å; I253-F297 VanDerWaalsContact CD1-CZ 3.46Å; I253-F297 HydrophobicContact CG1-CE1 3.96Å; I253-F297 HydrophobicContact CG1-CE2 4.38Å; I253-F297 HydrophobicContact CG1-CZ 3.79Å; I253-F297 HydrophobicContact CG2-CD1 4.06Å; I253-F297 HydrophobicContact CG2-CE1 4.15Å; I253-F297 HydrophobicContact CG2-CG 4.46Å; R261-F297 PolarHBondContact NH1-O 2.77Å; I293-F297 HydrophobicContact CG2-CD1 4.26Å; D294-F297 WeakPolarHBondContact O-CA 3.32Å; D294-F297 PolarHBondContact O-N 3.42Å; D294-F297 PolarHBondContact OD1-N 3.08Å; F297-P299 WeakPolarHBondContact O-CD 3.49Å
298K96.6Very high96.4Very high31 Ų3129 Ų2914%0.13514%0.143CC..  trans-88.3122.9171.5173.2178.5176.1-173.50109.3N94 I293 D294 K296 W300N94-K298 PolarHBondContact ND2-NZ 3.09Å; N94-K298 WeakPolarHBondContact O-CE 3.43Å; N94-K298 PolarHBondContact O-NZ 3.2Å; N94-K298 PolarHBondContact OD1-NZ 2.78Å; I293-K298 WeakPolarHBondContact CA-O 3.39Å; D294-K298 PolarHBondContact N-O 3.31Å; D294-K298 WeakPolarHBondContact OD1-CB 3.42Å; D294-K298 PolarHBondContact OD1-N 3.18Å; K296-K298 PolarHBondContact O-N 3.42Å; K296-K298 VanDerWaalsContact O-N 3.1Å; K298-W300 HydrophobicContact CD-CD2 4.39Å; K298-W300 HydrophobicContact CD-CH2 4.41Å; K298-W300 HydrophobicContact CD-CZ2 3.67Å
299P98.3Very high96.1Very high3 Ų332 Ų322%0.01917%0.165CC..EExtended strand (participates in β ladder)trans-75.7144.2169.230.9-31.7000110.6L258 R261 I262 I265 I291 L292 F297L258-P299 HydrophobicContact CD1-CB 4.45Å; L258-P299 HydrophobicContact CD1-CG 4.24Å; R261-P299 HydrophobicContact CB-CG 3.8Å; I262-P299 HydrophobicContact CG1-CB 3.79Å; I262-P299 HydrophobicContact CG1-CG 4.1Å; I265-P299 HydrophobicContact CD1-CB 3.73Å; I265-P299 HydrophobicContact CD1-CG 3.77Å; I291-P299 HydrophobicContact CG2-CB 3.69Å; L292-P299 CarbonylContact O-C 3.56Å; L292-P299 WeakPolarHBondContact O-CA 3.46Å; F297-P299 WeakPolarHBondContact O-CD 3.49Å
300W98.7Very high95.8Very high22 Ų2232.6 Ų32.68%0.08317%0.168CC..EExtended strand (participates in β ladder)trans-133130.5180-65.690.3000110.2F95 P97 I160 I291 L292 D294 K298F95-W300 CarbonylContact O-C 3.58Å; F95-W300 VanDerWaalsContact O-CA 3.26Å; F95-W300 WeakPolarHBondContact O-CA 3.36Å; P97-W300 HydrophobicContact CG-CE3 4.13Å; I160-W300 HydrophobicContact CD1-CB 3.52Å; I160-W300 HydrophobicContact CD1-CD2 3.86Å; I160-W300 HydrophobicContact CD1-CE3 4.45Å; I160-W300 HydrophobicContact CD1-CG 3.47Å; I160-W300 VanDerWaalsContact CD1-CG 3.47Å; I291-W300 CarbonylContact C-O 3.58Å; I291-W300 VanDerWaalsContact CA-O 3.31Å; I291-W300 WeakPolarHBondContact CA-O 3.48Å; L292-W300 PolarHBondContact N-O 2.69Å; L292-W300 PolarHBondContact O-N 3.36Å; D294-W300 PolarHBondContact OD2-NE1 2.75Å; K298-W300 HydrophobicContact CD-CD2 4.39Å; K298-W300 HydrophobicContact CD-CH2 4.41Å; K298-W300 HydrophobicContact CD-CZ2 3.67Å
301L98.7Very high95.5Very high1 Ų136.1 Ų36.11%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-74.6128.9173.2-176.362000110.5L77 L81 F95 I265 T269 F289 V304L77-L301 HydrophobicContact CD1-CD2 4.32Å; L77-L301 HydrophobicContact CD2-CD2 4.35Å; L81-L301 HydrophobicContact CD1-CD2 4.13Å; F95-L301 HydrophobicContact CD2-CB 4.03Å; F95-L301 HydrophobicContact CE2-CB 4.47Å; F95-L301 HydrophobicContact CE2-CD2 4.17Å; F95-L301 PolarHBondContact O-N 3.38Å; I265-L301 HydrophobicContact CG2-CB 3.92Å; I265-L301 HydrophobicContact CG2-CD1 4.28Å; I265-L301 HydrophobicContact CG2-CD2 4.39Å; I265-L301 HydrophobicContact CG2-CG 4.43Å; T269-L301 HydrophobicContact CG2-CD2 4.06Å; T269-L301 WeakPolarHBondContact OG1-CD2 3.41Å; F289-L301 HydrophobicContact CD1-CD1 3.76Å; F289-L301 HydrophobicContact CE1-CD1 4.37Å; L301-V304 HydrophobicContact CD1-CG2 4.17Å; L301-V304 HydrophobicContact CD2-CG2 4.42Å
302L96.9Very high95.2Very high39 Ų3939.4 Ų39.420%0.20421%0.207CC..EExtended strand (participates in β ladder)trans-100.7-46.8175.9-57.1-176.3000112.7I160 D290 L292I160-L302 HydrophobicContact CD1-CD2 4.31Å; D290-L302 HydrophobicContact CB-CB 4.15Å; D290-L302 WeakPolarHBondContact O-CB 3.4Å; D290-L302 PolarHBondContact O-N 2.78Å; L292-L302 HydrophobicContact CB-CD1 4.05Å; L292-L302 HydrophobicContact CB-CD2 3.97Å; L292-L302 HydrophobicContact CB-CG 4.09Å; L292-L302 HydrophobicContact CD2-CD2 4.45Å
303E95.8Very high94.6Very high32 Ų3242.2 Ų42.215%0.1522%0.222CC..EExtended strand (participates in β ladder)trans-164.9166.2178.957.5176.7-132.700111.3D290 N305D290-E303 HydrophobicContact CB-CG 3.68Å; D290-E303 PolarHBondContact N-O 3.05Å; E303-N305 PolarHBondContact OE1-ND2 3.18Å
304V97.7Very high94.1Very high4 Ų444 Ų442%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-124.1130.4169.7-172.80000108.5I71 T72 T269 F287 F289 L301I71-V304 HydrophobicContact CD1-CG1 4.25Å; I71-V304 HydrophobicContact CG1-CG1 4.37Å; T72-V304 VanDerWaalsContact CA-O 3.32Å; T72-V304 WeakPolarHBondContact CA-O 3.39Å; T72-V304 WeakPolarHBondContact CB-O 3.44Å; T72-V304 HydrophobicContact CG2-CB 4.34Å; T72-V304 HydrophobicContact CG2-CG1 4.09Å; T269-V304 HydrophobicContact CG2-CG2 4.14Å; F287-V304 HydrophobicContact CB-CG1 3.97Å; F287-V304 HydrophobicContact CD1-CG1 3.7Å; F287-V304 HydrophobicContact CE1-CG1 4.39Å; F287-V304 HydrophobicContact CG-CG1 3.98Å; F289-V304 HydrophobicContact CD1-CG2 3.83Å; F289-V304 HydrophobicContact CD2-CG1 3.9Å; F289-V304 HydrophobicContact CE1-CG1 4.43Å; F289-V304 HydrophobicContact CE1-CG2 3.62Å; F289-V304 HydrophobicContact CE2-CG1 3.66Å; F289-V304 HydrophobicContact CE2-CG2 4.35Å; F289-V304 HydrophobicContact CG-CG1 4.39Å; F289-V304 HydrophobicContact CG-CG2 4.28Å; F289-V304 HydrophobicContact CZ-CG1 3.95Å; F289-V304 HydrophobicContact CZ-CG2 3.9Å; L301-V304 HydrophobicContact CD1-CG2 4.17Å; L301-V304 HydrophobicContact CD2-CG2 4.42Å
305N95Very high93.8Very high35 Ų3550.2 Ų50.219%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-105.5122.7-179-73.4-94.8000110.4R174 F287 G288 D290 E303R174-N305 PolarHBondContact NH2-ND2 2.91Å; F287-N305 CarbonylContact C-O 3.55Å; F287-N305 VanDerWaalsContact CA-O 3.32Å; F287-N305 WeakPolarHBondContact CA-O 3.43Å; G288-N305 PolarHBondContact N-O 3.08Å; G288-N305 WeakPolarHBondContact O-CB 3.48Å; G288-N305 PolarHBondContact O-N 2.77Å; G288-N305 PolarHBondContact O-ND2 3.44Å; D290-N305 PolarHBondContact OD1-ND2 3.34Å; E303-N305 PolarHBondContact OE1-ND2 3.18Å
306H90.2Very high93.6Very high65 Ų6548 Ų4830%0.30125%0.249SC..SBendtrans-71.5-29.2175.457.7-93.6000113.2H64 T72H64-H306 PolarHBondContact CE1-O 2.98Å; T72-H306 HydrophobicContact CG2-CB 3.87Å
307S88.6Confident93.6Very high36 Ų3639.9 Ų39.925%0.25221%0.214SC..SBendtrans-128.279.3176.6-157.80000109.4S309S307-S309 PolarHBondContact O-N 3.27Å
308P92.9Very high93.5Very high7 Ų739.6 Ų39.65%0.04522%0.215CC..  trans-62.3136.2179.526-33.5000110.6Y176 L286 L310Y176-P308 HydrophobicContact CD1-CB 4.49Å; Y176-P308 HydrophobicContact CD1-CG 4.37Å; Y176-P308 HydrophobicContact CE1-CB 4.05Å; Y176-P308 HydrophobicContact CE1-CG 4.29Å; L286-P308 HydrophobicContact CD2-CG 4.2Å; L286-P308 HydrophobicContact CG-CG 4.17Å; L286-P308 WeakPolarHBondContact O-CD 3.42Å; L286-P308 WeakPolarHBondContact O-CG 3.32Å; P308-L310 PolarHBondContact O-N 2.8Å; P308-L310 VanDerWaalsContact O-N 3.16Å
309S91.1Very high93.3Very high64 Ų6441.4 Ų41.445%0.44823%0.232SC..  trans-60121.4-178.2173.90000112.2S307 T311 K321S307-S309 PolarHBondContact O-N 3.27Å; S309-T311 PolarHBondContact OG-N 3.26Å; S309-T311 PolarHBondContact OG-OG1 3.41Å; S309-K321 WeakPolarHBondContact O-CE 3.33Å; S309-K321 PolarHBondContact O-NZ 2.65Å
310L93.3Very high93.3Very high13 Ų1341.4 Ų41.47%0.06823%0.231CC..  trans-96.813.8174.8-57.6179.3000113P14 L16 V17 W43 P308 I325P14-L310 HydrophobicContact CB-CB 4.07Å; P14-L310 HydrophobicContact CB-CD1 4.07Å; P14-L310 HydrophobicContact CG-CD1 4.09Å; L16-L310 HydrophobicContact CD2-CB 4.43Å; V17-L310 HydrophobicContact CG2-CD1 3.57Å; W43-L310 HydrophobicContact CZ2-CD1 4.16Å; P308-L310 PolarHBondContact O-N 2.8Å; P308-L310 VanDerWaalsContact O-N 3.16Å; L310-I325 HydrophobicContact CD1-CD1 3.54Å; L310-I325 HydrophobicContact CD1-CG1 4.02Å; L310-I325 HydrophobicContact CD2-CD1 3.93Å; L310-I325 HydrophobicContact CD2-CG1 4.21Å; L310-I325 HydrophobicContact CG-CD1 4.4Å
311T91.7Very high93.2Very high77 Ų7740.6 Ų40.647%0.47223%0.229SC..  trans-64142173.3-54.90000110.4S309 K321S309-T311 PolarHBondContact OG-N 3.26Å; S309-T311 PolarHBondContact OG-OG1 3.41Å; T311-K321 PolarHBondContact O-NZ 3.24Å
312L92Very high93.1Very high68 Ų6844 Ų4436%0.35624%0.244SC..  trans-101.399.4177.4-55.8-175.7000109.2L16 D317 L318 K321L16-L312 HydrophobicContact CD1-CD1 4.47Å; L16-L312 HydrophobicContact CD2-CD2 4.19Å; L312-D317 HydrophobicContact CB-CB 4.38Å; L312-D317 HydrophobicContact CD2-CB 3.78Å; L312-L318 HydrophobicContact CD1-CB 4.35Å; L312-L318 HydrophobicContact CD1-CD1 3.85Å; L312-K321 HydrophobicContact CD2-CB 4.18Å; L312-K321 HydrophobicContact CD2-CD 3.95Å
313D86.8Confident93.1Very high63 Ų6343.5 Ų43.534%0.33725%0.248SC..  trans-92-27.7179-50.1-65.1000111.9T217 K238 D317T217-D313 WeakPolarHBondContact CG2-OD2 3.41Å; K238-D313 IonicContact NZ-OD2 3.54Å; K238-D313 PolarHBondContact NZ-OD2 3Å; D313-D317 WeakPolarHBondContact CA-OD2 3.19Å; D313-D317 WeakPolarHBondContact CB-OD2 3.28Å; D313-D317 PolarHBondContact N-OD2 3.08Å
314C87.7Confident93.2Very high37 Ų3742 Ų4225%0.2524%0.24CC..SBendtrans-150.6174.7177.868.80000112.8T316 D317 L318C314-T316 PolarHBondContact O-N 3.24Å; C314-T316 VanDerWaalsContact O-N 3.17Å; C314-D317 PolarHBondContact N-OD2 2.67Å; C314-D317 WeakPolarHBondContact O-CB 3.31Å; C314-D317 PolarHBondContact O-N 2.93Å; C314-L318 PolarHBondContact O-N 2.89Å
315Q90.7Very high93.1Very high140 Ų14041.8 Ų41.865%0.65424%0.239SC*.Hα-helixtrans-55.6-34.5-179.9-169.461.918.400113.5D317 L318 S319Q315-D317 VanDerWaalsContact C-N 3.3Å; Q315-D317 PolarHBondContact O-N 3.32Å; Q315-L318 PolarHBondContact O-N 3.26Å; Q315-L318 VanDerWaalsContact O-N 3.17Å; Q315-S319 PolarHBondContact O-N 2.88Å; Q315-S319 PolarHBondContact O-OG 3.26Å
316T92.7Very high93.2Very high32 Ų3241.6 Ų41.620%0.19624%0.241CC..Hα-helixtrans-64-32.8175.7-41.10000112.8L194 K238 T240 C314 S319 V320L194-T316 HydrophobicContact CD2-CG2 3.96Å; K238-T316 HydrophobicContact CB-CG2 4.08Å; T240-T316 HydrophobicContact CG2-CG2 3.95Å; C314-T316 PolarHBondContact O-N 3.24Å; C314-T316 VanDerWaalsContact O-N 3.17Å; T316-S319 PolarHBondContact O-OG 3.43Å; T316-V320 WeakPolarHBondContact O-CG2 3.48Å; T316-V320 PolarHBondContact O-N 3.3Å
317D94Very high93.5Very high0 Ų039.8 Ų39.80%023%0.233CC..Hα-helixtrans-67.3-43.5172.4-68.1-69.5000110.8K238 L312 D313 C314 Q315 K321K238-D317 IonicContact NZ-OD1 2.62Å; K238-D317 PolarHBondContact NZ-OD1 3.38Å; K238-D317 IonicContact NZ-OD2 2.74Å; K238-D317 PolarHBondContact NZ-OD2 3.25Å; L312-D317 HydrophobicContact CB-CB 4.38Å; L312-D317 HydrophobicContact CD2-CB 3.78Å; D313-D317 WeakPolarHBondContact CA-OD2 3.19Å; D313-D317 WeakPolarHBondContact CB-OD2 3.28Å; D313-D317 PolarHBondContact N-OD2 3.08Å; C314-D317 PolarHBondContact N-OD2 2.67Å; C314-D317 WeakPolarHBondContact O-CB 3.31Å; C314-D317 PolarHBondContact O-N 2.93Å; Q315-D317 VanDerWaalsContact C-N 3.3Å; Q315-D317 PolarHBondContact O-N 3.32Å; D317-K321 HydrophobicContact CB-CD 4.05Å; D317-K321 WeakPolarHBondContact O-CB 3.35Å; D317-K321 WeakPolarHBondContact O-CG 3.37Å; D317-K321 PolarHBondContact O-N 2.77Å; D317-K321 IonicContact OD1-NZ 2.75Å; D317-K321 PolarHBondContact OD1-NZ 2.93Å
318L93.9Very high93.9Very high62 Ų6238.2 Ų38.233%0.32522%0.222SC..Hα-helixtrans-64.2-47.9-178.4174.760.8000111L312 C314 Q315 V320 K322L312-L318 HydrophobicContact CD1-CB 4.35Å; L312-L318 HydrophobicContact CD1-CD1 3.85Å; C314-L318 PolarHBondContact O-N 2.89Å; Q315-L318 PolarHBondContact O-N 3.26Å; Q315-L318 VanDerWaalsContact O-N 3.17Å; L318-V320 VanDerWaalsContact C-N 3.31Å; L318-V320 PolarHBondContact O-N 3.41Å; L318-K322 HydrophobicContact CD1-CB 4.13Å; L318-K322 HydrophobicContact CD1-CD 4.16Å; L318-K322 VanDerWaalsContact O-CB 3.32Å; L318-K322 WeakPolarHBondContact O-CB 3.4Å; L318-K322 PolarHBondContact O-N 2.92Å; L318-K322 VanDerWaalsContact O-N 3.17Å
319S93.7Very high94Very high70 Ų7038.1 Ų38.149%0.4922%0.221SC..Hα-helixtrans-62.6-34.8-179.165.90000113.2Q315 T316Q315-S319 PolarHBondContact O-N 2.88Å; Q315-S319 PolarHBondContact O-OG 3.26Å; T316-S319 PolarHBondContact O-OG 3.43Å
320V96.6Very high94Very high2 Ų238.8 Ų38.81%0.01222%0.22CC..Hα-helixtrans-85.7-50.4179173.90000111.8Y176 E192 L194 T240 T316 L318 L324Y176-V320 HydrophobicContact CD2-CG1 4.37Å; Y176-V320 HydrophobicContact CE2-CG1 3.88Å; E192-V320 HydrophobicContact CB-CG1 4.21Å; E192-V320 HydrophobicContact CB-CG2 4.35Å; L194-V320 HydrophobicContact CD2-CB 4.08Å; L194-V320 HydrophobicContact CD2-CG1 4.35Å; L194-V320 HydrophobicContact CD2-CG2 3.92Å; L194-V320 HydrophobicContact CG-CG1 4.37Å; T240-V320 HydrophobicContact CG2-CG2 3.93Å; T316-V320 WeakPolarHBondContact O-CG2 3.48Å; T316-V320 PolarHBondContact O-N 3.3Å; L318-V320 VanDerWaalsContact C-N 3.31Å; L318-V320 PolarHBondContact O-N 3.41Å; V320-L324 VanDerWaalsContact O-CB 3.27Å; V320-L324 WeakPolarHBondContact O-CB 3.18Å; V320-L324 PolarHBondContact O-N 3Å
321K97.6Very high94Very high6 Ų638.7 Ų38.73%0.02622%0.219CC..Hα-helixtrans-78.2-30.3-167.5-67.8163.5169.3162.70113.5L16 Y176 S309 T311 L312 D317 I325L16-K321 HydrophobicContact CD2-CB 3.56Å; Y176-K321 VanDerWaalsContact OH-CE 3.25Å; Y176-K321 WeakPolarHBondContact OH-CE 3.27Å; S309-K321 WeakPolarHBondContact O-CE 3.33Å; S309-K321 PolarHBondContact O-NZ 2.65Å; T311-K321 PolarHBondContact O-NZ 3.24Å; L312-K321 HydrophobicContact CD2-CB 4.18Å; L312-K321 HydrophobicContact CD2-CD 3.95Å; D317-K321 HydrophobicContact CB-CD 4.05Å; D317-K321 WeakPolarHBondContact O-CB 3.35Å; D317-K321 WeakPolarHBondContact O-CG 3.37Å; D317-K321 PolarHBondContact O-N 2.77Å; D317-K321 IonicContact OD1-NZ 2.75Å; D317-K321 PolarHBondContact OD1-NZ 2.93Å; K321-I325 WeakPolarHBondContact O-CG1 3.33Å; K321-I325 PolarHBondContact O-N 3.19Å
322K96.4Very high94Very high73 Ų7335.2 Ų35.232%0.31720%0.198SC..Hα-helixtrans-67.3-45.8177.7-172.9167.5-179.5169.10111.1L16 V20 E23 L318 I325 S326L16-K322 HydrophobicContact CD1-CB 4.18Å; L16-K322 HydrophobicContact CD1-CG 4.3Å; V20-K322 HydrophobicContact CG2-CG 4.03Å; E23-K322 IonicContact OE1-NZ 3.6Å; E23-K322 PolarHBondContact OE1-NZ 2.84Å; E23-K322 WeakPolarHBondContact OE2-CE 3.4Å; E23-K322 IonicContact OE2-NZ 3.21Å; E23-K322 PolarHBondContact OE2-NZ 3Å; L318-K322 HydrophobicContact CD1-CB 4.13Å; L318-K322 HydrophobicContact CD1-CD 4.16Å; L318-K322 VanDerWaalsContact O-CB 3.32Å; L318-K322 WeakPolarHBondContact O-CB 3.4Å; L318-K322 PolarHBondContact O-N 2.92Å; L318-K322 VanDerWaalsContact O-N 3.17Å; K322-I325 PolarHBondContact O-N 3.44Å; K322-S326 WeakPolarHBondContact O-CB 3.27Å; K322-S326 PolarHBondContact O-N 3.48Å
323G96.1Very high93.8Very high28 Ų2837.7 Ų37.729%0.28921%0.211SC..Hα-helixtrans-57.9-53.917000000111.7I325 S326 D327G323-I325 VanDerWaalsContact C-N 3.28Å; G323-I325 PolarHBondContact O-N 2.89Å; G323-I325 VanDerWaalsContact O-N 3.11Å; G323-S326 WeakPolarHBondContact O-CA 3.42Å; G323-S326 VanDerWaalsContact O-CB 3.27Å; G323-S326 WeakPolarHBondContact O-CB 3.47Å; G323-S326 PolarHBondContact O-N 3.44Å; G323-D327 WeakPolarHBondContact O-CB 3.19Å; G323-D327 PolarHBondContact O-N 3.16Å
324L97.8Very high93.8Very high0 Ų036.2 Ų36.20%020%0.201CC..Hα-helixtrans-48.9-44.2178.2177.472.2000114.4Y176 H190 L286 V320 L328 F495Y176-L324 HydrophobicContact CD1-CD1 4.48Å; Y176-L324 HydrophobicContact CD1-CD2 3.4Å; Y176-L324 VanDerWaalsContact CD1-CD2 3.4Å; Y176-L324 HydrophobicContact CD2-CD1 4.31Å; Y176-L324 HydrophobicContact CD2-CD2 3.77Å; Y176-L324 HydrophobicContact CE1-CD2 3.6Å; Y176-L324 HydrophobicContact CE2-CD2 3.98Å; Y176-L324 HydrophobicContact CG-CD1 3.9Å; Y176-L324 HydrophobicContact CG-CD2 3.47Å; Y176-L324 VanDerWaalsContact CG-CD2 3.47Å; Y176-L324 HydrophobicContact CG-CG 4.34Å; H190-L324 HydrophobicContact CB-CD1 3.73Å; L286-L324 HydrophobicContact CD1-CD1 4.23Å; L286-L324 HydrophobicContact CD2-CD2 4.22Å; V320-L324 VanDerWaalsContact O-CB 3.27Å; V320-L324 WeakPolarHBondContact O-CB 3.18Å; V320-L324 PolarHBondContact O-N 3Å; L324-L328 WeakPolarHBondContact O-CB 3.48Å; L324-L328 PolarHBondContact O-N 2.91Å; L324-F495 HydrophobicContact CD1-CE1 4.14Å; L324-F495 HydrophobicContact CD1-CE2 4Å; L324-F495 HydrophobicContact CD1-CZ 3.44Å; L324-F495 VanDerWaalsContact CD1-CZ 3.44Å
325I97.6Very high93.8Very high0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-79.9-32.2-178.9-63.2-60.5000111.9L16 V17 V20 W43 L286 L310 K321 K322 G323 L328 V329L16-I325 HydrophobicContact CD2-CG1 4.19Å; V17-I325 HydrophobicContact CG2-CD1 4.4Å; V17-I325 HydrophobicContact CG2-CG2 4.09Å; V20-I325 HydrophobicContact CB-CG2 4.09Å; V20-I325 HydrophobicContact CG1-CG2 4.13Å; V20-I325 HydrophobicContact CG2-CB 4.45Å; V20-I325 HydrophobicContact CG2-CG2 4.22Å; W43-I325 HydrophobicContact CH2-CD1 4.09Å; L286-I325 HydrophobicContact CD2-CD1 4.01Å; L310-I325 HydrophobicContact CD1-CD1 3.54Å; L310-I325 HydrophobicContact CD1-CG1 4.02Å; L310-I325 HydrophobicContact CD2-CD1 3.93Å; L310-I325 HydrophobicContact CD2-CG1 4.21Å; L310-I325 HydrophobicContact CG-CD1 4.4Å; K321-I325 WeakPolarHBondContact O-CG1 3.33Å; K321-I325 PolarHBondContact O-N 3.19Å; K322-I325 PolarHBondContact O-N 3.44Å; G323-I325 VanDerWaalsContact C-N 3.28Å; G323-I325 PolarHBondContact O-N 2.89Å; G323-I325 VanDerWaalsContact O-N 3.11Å; I325-L328 HydrophobicContact CD1-CD2 4.29Å; I325-V329 WeakPolarHBondContact O-CG2 3.4Å; I325-V329 PolarHBondContact O-N 3.22Å
326S96.1Very high93.4Very high31 Ų3135.3 Ų35.322%0.21721%0.206CC..Hα-helixtrans-57.3-56.9168.81710000110.2R24 K322 G323 L328 V329 D330R24-S326 PolarHBondContact NH2-O 3.03Å; R24-S326 VanDerWaalsContact NH2-O 3.11Å; R24-S326 PolarHBondContact NH2-OG 2.81Å; K322-S326 WeakPolarHBondContact O-CB 3.27Å; K322-S326 PolarHBondContact O-N 3.48Å; G323-S326 WeakPolarHBondContact O-CA 3.42Å; G323-S326 VanDerWaalsContact O-CB 3.27Å; G323-S326 WeakPolarHBondContact O-CB 3.47Å; G323-S326 PolarHBondContact O-N 3.44Å; S326-L328 VanDerWaalsContact C-N 3.29Å; S326-L328 PolarHBondContact O-N 2.79Å; S326-V329 WeakPolarHBondContact O-CB 3.45Å; S326-V329 PolarHBondContact O-N 2.98Å; S326-D330 PolarHBondContact O-N 3Å
327D96.7Very high92.9Very high26 Ų2639.8 Ų39.814%0.13923%0.228CC..Hα-helixtrans-68.1-30.6-174.2-55.8-7.7000111.6H190 G323 V329 D330 L331 G494 F495H190-D327 IonicContact NE2-OD2 3.18Å; H190-D327 PolarHBondContact NE2-OD2 2.87Å; G323-D327 WeakPolarHBondContact O-CB 3.19Å; G323-D327 PolarHBondContact O-N 3.16Å; D327-V329 VanDerWaalsContact C-N 3.34Å; D327-D330 PolarHBondContact O-N 3.13Å; D327-L331 WeakPolarHBondContact O-CB 3.41Å; D327-L331 PolarHBondContact O-N 3.38Å; D327-G494 WeakPolarHBondContact OD2-CA 3.36Å; D327-G494 PolarHBondContact OD2-N 3.09Å; D327-F495 HydrophobicContact CB-CD2 3.87Å; D327-F495 HydrophobicContact CB-CE2 4.2Å
328L96.6Very high92.5Very high3 Ų340.4 Ų40.42%0.01623%0.231CC..Hα-helixtrans-63.8-39.4171.8179.264.1000111.6W43 C178 V284 L286 L324 I325 S326 L331 M332 F495W43-L328 HydrophobicContact CH2-CD2 3.61Å; W43-L328 HydrophobicContact CZ3-CD2 3.8Å; C178-L328 HydrophobicContact CB-CD1 4.2Å; C178-L328 VanDerWaalsContact SG-CD1 3.51Å; V284-L328 HydrophobicContact CG2-CD1 4.01Å; L286-L328 HydrophobicContact CB-CD2 4.08Å; L286-L328 HydrophobicContact CD2-CD2 4.07Å; L286-L328 HydrophobicContact CG-CD2 4.46Å; L324-L328 WeakPolarHBondContact O-CB 3.48Å; L324-L328 PolarHBondContact O-N 2.91Å; I325-L328 HydrophobicContact CD1-CD2 4.29Å; S326-L328 VanDerWaalsContact C-N 3.29Å; S326-L328 PolarHBondContact O-N 2.79Å; L328-L331 PolarHBondContact O-N 3.11Å; L328-M332 HydrophobicContact CD2-CE 4.37Å; L328-M332 HydrophobicContact CG-CE 4.02Å; L328-M332 WeakPolarHBondContact O-CG 3.3Å; L328-M332 PolarHBondContact O-N 3.44Å; L328-M332 VanDerWaalsContact O-N 3.15Å; L328-F495 HydrophobicContact CB-CE2 3.88Å; L328-F495 HydrophobicContact CB-CZ 4.39Å; L328-F495 HydrophobicContact CD1-CE2 4.46Å; L328-F495 HydrophobicContact CD1-CZ 4.45Å
329V94.3Very high91.6Very high6 Ų637.6 Ų37.64%0.03622%0.217CC..Hα-helixtrans-68.6-36.2177.7172.60000110.9L21 W26 I325 S326 D327 M332L21-V329 HydrophobicContact CD2-CG1 4.15Å; L21-V329 HydrophobicContact CD2-CG2 3.77Å; W26-V329 HydrophobicContact CZ2-CG1 4.11Å; I325-V329 WeakPolarHBondContact O-CG2 3.4Å; I325-V329 PolarHBondContact O-N 3.22Å; S326-V329 WeakPolarHBondContact O-CB 3.45Å; S326-V329 PolarHBondContact O-N 2.98Å; D327-V329 VanDerWaalsContact C-N 3.34Å; V329-M332 WeakPolarHBondContact O-CB 3.39Å; V329-M332 PolarHBondContact O-N 2.91Å
330D92.7Very high90.9Very high77 Ų7737.6 Ų37.641%0.41221%0.211SC..Hα-helixtrans-65-43.8172.1-65.1-39.4000111.7R24 S326 D327 M332 N333R24-D330 IonicContact CZ-OD1 3.38Å; R24-D330 IonicContact CZ-OD2 3.08Å; R24-D330 IonicContact NH1-OD1 3.64Å; R24-D330 PolarHBondContact NH1-OD1 3.28Å; R24-D330 IonicContact NH1-OD2 2.67Å; R24-D330 VanDerWaalsContact NH2-CG 3.28Å; R24-D330 IonicContact NH2-OD1 3.91Å; R24-D330 PolarHBondContact NH2-OD1 3.13Å; R24-D330 IonicContact NH2-OD2 3.34Å; R24-D330 PolarHBondContact NH2-OD2 2.88Å; S326-D330 PolarHBondContact O-N 3Å; D327-D330 PolarHBondContact O-N 3.13Å; D330-M332 PolarHBondContact O-N 3.46Å; D330-N333 WeakPolarHBondContact O-CA 3.34Å; D330-N333 PolarHBondContact O-N 3.47Å
331L92.1Very high90Very high11 Ų1137.7 Ų37.76%0.05821%0.211CC..Hα-helixtrans-64.2-18.2176.6-177.457.7000113.5C178 K180 Y188 D327 L328 N333 A492 F495C178-L331 HydrophobicContact CB-CD2 3.95Å; C178-L331 VanDerWaalsContact SG-CD2 3.54Å; K180-L331 HydrophobicContact CD-CG 4.49Å; K180-L331 WeakPolarHBondContact CD-O 3.29Å; K180-L331 WeakPolarHBondContact CE-O 3.46Å; Y188-L331 HydrophobicContact CD1-CD1 4.42Å; Y188-L331 HydrophobicContact CD1-CD2 4.41Å; Y188-L331 HydrophobicContact CD2-CD1 3.99Å; Y188-L331 HydrophobicContact CD2-CD2 3.85Å; Y188-L331 HydrophobicContact CE1-CD1 4.18Å; Y188-L331 HydrophobicContact CE2-CD1 3.7Å; Y188-L331 HydrophobicContact CE2-CD2 4.42Å; Y188-L331 HydrophobicContact CG-CD1 4.36Å; Y188-L331 HydrophobicContact CG-CD2 3.87Å; D327-L331 WeakPolarHBondContact O-CB 3.41Å; D327-L331 PolarHBondContact O-N 3.38Å; L328-L331 PolarHBondContact O-N 3.11Å; L331-N333 PolarHBondContact O-N 3.01Å; L331-A492 HydrophobicContact CB-CB 4.06Å; L331-A492 HydrophobicContact CD1-CB 3.83Å; L331-A492 HydrophobicContact CG-CB 4.43Å; L331-F495 HydrophobicContact CD2-CB 4.1Å; L331-F495 HydrophobicContact CD2-CD1 4.4Å; L331-F495 HydrophobicContact CD2-CD2 4.11Å; L331-F495 HydrophobicContact CD2-CG 3.95Å
332M91.3Very high88.5Confident4 Ų444.2 Ų44.22%0.0224%0.237CC..THydrogen-bonded Turntrans-70.3-17168.7-61.3-165.9-158.100113.2L41 W43 V284 L328 V329 D330 Y334L41-M332 HydrophobicContact CD1-CE 4.12Å; L41-M332 HydrophobicContact CD1-SD 3.86Å; L41-M332 HydrophobicContact CD2-CE 4.34Å; L41-M332 HydrophobicContact CD2-SD 4.41Å; W43-M332 HydrophobicContact CZ3-CE 4.17Å; V284-M332 HydrophobicContact CG1-CE 3.76Å; V284-M332 HydrophobicContact CG1-CG 4.04Å; V284-M332 HydrophobicContact CG1-SD 3.92Å; L328-M332 HydrophobicContact CD2-CE 4.37Å; L328-M332 HydrophobicContact CG-CE 4.02Å; L328-M332 WeakPolarHBondContact O-CG 3.3Å; L328-M332 PolarHBondContact O-N 3.44Å; L328-M332 VanDerWaalsContact O-N 3.15Å; V329-M332 WeakPolarHBondContact O-CB 3.39Å; V329-M332 PolarHBondContact O-N 2.91Å; D330-M332 PolarHBondContact O-N 3.46Å; M332-Y334 HydrophobicContact CB-CD2 3.78Å; M332-Y334 HydrophobicContact CB-CE2 3.39Å; M332-Y334 HydrophobicContact CG-CE2 4.12Å; M332-Y334 HydrophobicContact SD-CE2 3.73Å
333N87.8Confident86.9Confident120 Ų12047 Ų4764%0.64225%0.249SC*.  trans49.860.2176.6-166.416.5000113.6D330 L331D330-N333 WeakPolarHBondContact O-CA 3.34Å; D330-N333 PolarHBondContact O-N 3.47Å; L331-N333 PolarHBondContact O-N 3.01Å
334Y88.8Confident85.4Confident33 Ų3347.3 Ų47.313%0.12925%0.248CC..  trans-74.5128.8172.4-70.1-85.7000110.8L5 W26 N40 L41 R61 M332 D338L5-Y334 HydrophobicContact CD1-CG 4.14Å; W26-Y334 HydrophobicContact CH2-CD1 4.12Å; W26-Y334 AromaticContact CH2-CD2 3.63Å; W26-Y334 HydrophobicContact CH2-CD2 3.63Å; W26-Y334 AromaticContact CH2-CE1 3.97Å; W26-Y334 HydrophobicContact CH2-CE1 3.97Å; W26-Y334 AromaticContact CH2-CE2 3.45Å; W26-Y334 HydrophobicContact CH2-CE2 3.45Å; W26-Y334 VanDerWaalsContact CH2-CE2 3.45Å; W26-Y334 AromaticContact CH2-CG 3.94Å; W26-Y334 HydrophobicContact CH2-CG 3.94Å; W26-Y334 AromaticContact CH2-CZ 3.62Å; W26-Y334 AromaticContact CZ2-CD2 3.71Å; W26-Y334 HydrophobicContact CZ2-CD2 3.71Å; W26-Y334 AromaticContact CZ2-CE2 3.94Å; W26-Y334 HydrophobicContact CZ2-CE2 3.94Å; W26-Y334 HydrophobicContact CZ2-CG 4.11Å; N40-Y334 HydrophobicContact CB-CD1 4.48Å; N40-Y334 HydrophobicContact CB-CE1 3.96Å; N40-Y334 PolarHBondContact O-OH 2.85Å; L41-Y334 WeakPolarHBondContact CB-OH 3.44Å; R61-Y334 VanDerWaalsContact CB-OH 3.28Å; R61-Y334 WeakPolarHBondContact CB-OH 3.44Å; R61-Y334 HydrophobicContact CG-CE1 3.79Å; R61-Y334 WeakPolarHBondContact CG-OH 3.35Å; M332-Y334 HydrophobicContact CB-CD2 3.78Å; M332-Y334 HydrophobicContact CB-CE2 3.39Å; M332-Y334 HydrophobicContact CG-CE2 4.12Å; M332-Y334 HydrophobicContact SD-CE2 3.73Å; Y334-D338 HydrophobicContact CD1-CB 4.12Å
335T85.9Confident83.8Confident52 Ų5248.4 Ų48.432%0.31925%0.253SS..  trans-103.2167.2-177.3710000111.3I337 D338T335-I337 PolarHBondContact O-N 3.35Å; T335-I337 VanDerWaalsContact O-N 3.09Å; T335-I337 WeakPolarHBondContact OG1-CB 3.39Å; T335-I337 PolarHBondContact OG1-N 3.08Å; T335-D338 WeakPolarHBondContact CA-OD2 3.49Å; T335-D338 WeakPolarHBondContact CB-OD2 3.09Å; T335-D338 PolarHBondContact N-OD2 3.18Å; T335-D338 WeakPolarHBondContact O-CB 3.45Å; T335-D338 PolarHBondContact O-N 3.37Å; T335-D338 VanDerWaalsContact O-N 3.08Å; T335-D338 PolarHBondContact OG1-OD2 2.87Å
336P82.5Confident82.1Confident106 Ų10652.6 Ų52.669%0.68827%0.272SS*.THydrogen-bonded Turntrans-56.3-23.9170.3-26.836.3000114G339P336-G339 PolarHBondContact O-N 3.26Å
337I82.8Confident80.4Confident126 Ų12655.5 Ų55.565%0.64629%0.289SS*.THydrogen-bonded Turntrans-68.6-36.3178-59.5169000110.8T335 G339 L340T335-I337 PolarHBondContact O-N 3.35Å; T335-I337 VanDerWaalsContact O-N 3.09Å; T335-I337 WeakPolarHBondContact OG1-CB 3.39Å; T335-I337 PolarHBondContact OG1-N 3.08Å; I337-G339 PolarHBondContact O-N 3.26Å; I337-L340 WeakPolarHBondContact O-CB 3.33Å; I337-L340 PolarHBondContact O-N 3.24Å
338D84.8Confident78.6Confident12 Ų1258.6 Ų58.66%0.06430%0.303CS..G310 helixtrans-64.9-23.3175.9-57.3-83.6000112.2L5 N40 W59 R61 Y334 T335 L340L5-D338 HydrophobicContact CD2-CB 4.14Å; N40-D338 PolarHBondContact ND2-O 2.81Å; W59-D338 VanDerWaalsContact CA-OD1 3.32Å; W59-D338 WeakPolarHBondContact CA-OD1 3.45Å; W59-D338 HydrophobicContact CB-CB 4.11Å; R61-D338 IonicContact NH2-OD1 3.66Å; R61-D338 PolarHBondContact NH2-OD1 3.03Å; Y334-D338 HydrophobicContact CD1-CB 4.12Å; T335-D338 WeakPolarHBondContact CA-OD2 3.49Å; T335-D338 WeakPolarHBondContact CB-OD2 3.09Å; T335-D338 PolarHBondContact N-OD2 3.18Å; T335-D338 WeakPolarHBondContact O-CB 3.45Å; T335-D338 PolarHBondContact O-N 3.37Å; T335-D338 VanDerWaalsContact O-N 3.08Å; T335-D338 PolarHBondContact OG1-OD2 2.87Å; D338-L340 VanDerWaalsContact C-N 3.35Å
339G76.7Confident76.7Confident4 Ų465.7 Ų65.74%0.04133%0.329CS..G310 helixtrans-79.1-8.217000000114.8A3 P336 I337 R341A3-G339 WeakPolarHBondContact CB-O 3.46Å; A3-G339 PolarHBondContact N-O 3.43Å; P336-G339 PolarHBondContact O-N 3.26Å; I337-G339 PolarHBondContact O-N 3.26Å; G339-R341 VanDerWaalsContact C-N 3.35Å
340L77.5Confident74.8Confident69 Ų6970.5 Ų70.536%0.36135%0.354SS..G310 helixtrans-882.4177-61.3179.6000113.7I337 D338 Y342 K343I337-L340 WeakPolarHBondContact O-CB 3.33Å; I337-L340 PolarHBondContact O-N 3.24Å; D338-L340 VanDerWaalsContact C-N 3.35Å; L340-Y342 PolarHBondContact O-N 3.05Å; L340-K343 WeakPolarHBondContact O-CB 3.28Å; L340-K343 PolarHBondContact O-N 3.03Å
341R78.2Confident73.1Confident5 Ų570.6 Ų70.62%0.01936%0.358CS..Hα-helixtrans-44.2-36.5179.669.5-174.3-168-85.1-17.9114.6S4 D38 N40 W59 G339 K343 A344 Y345S4-R341 PolarHBondContact O-NH1 3.49Å; S4-R341 PolarHBondContact O-NH2 3.31Å; D38-R341 WeakPolarHBondContact OD1-CD 3.42Å; D38-R341 IonicContact OD1-CZ 3.41Å; D38-R341 IonicContact OD1-NE 2.68Å; D38-R341 PolarHBondContact OD1-NE 2.92Å; D38-R341 IonicContact OD1-NH2 3.24Å; N40-R341 PolarHBondContact OD1-NH1 3.18Å; W59-R341 HydrophobicContact CD2-CB 3.82Å; W59-R341 HydrophobicContact CG-CB 3.88Å; W59-R341 HydrophobicContact CZ2-CB 4.2Å; G339-R341 VanDerWaalsContact C-N 3.35Å; R341-K343 VanDerWaalsContact C-N 3.31Å; R341-K343 PolarHBondContact O-N 3.34Å; R341-A344 WeakPolarHBondContact O-CB 3.46Å; R341-A344 PolarHBondContact O-N 3.25Å; R341-A344 VanDerWaalsContact O-N 3.08Å; R341-Y345 VanDerWaalsContact O-CD2 3.26Å; R341-Y345 WeakPolarHBondContact O-CD2 3.45Å; R341-Y345 PolarHBondContact O-N 3.11Å
342Y65.5Low71.3Confident142 Ų14276.5 Ų76.556%0.55739%0.385SS*.Hα-helixtrans-59-38178.8-176.9-106000113.1L340 Y345 Q346L340-Y342 PolarHBondContact O-N 3.05Å; Y342-Y345 PolarHBondContact O-N 2.67Å; Y342-Q346 HydrophobicContact CD1-CG 4.49Å; Y342-Q346 VanDerWaalsContact CE1-CD 3.5Å; Y342-Q346 HydrophobicContact CE1-CG 4.14Å; Y342-Q346 WeakPolarHBondContact O-CG 3.4Å; Y342-Q346 PolarHBondContact O-N 3Å; Y342-Q346 PolarHBondContact OH-NE2 2.89Å
343K64.1Low69.4Low133 Ų13380.2 Ų80.258%0.57841%0.408SS*.Hα-helixtrans-67-38.4175.1-66.9-173.9175.3-173.80111.6L340 R341 Q346 T347L340-K343 WeakPolarHBondContact O-CB 3.28Å; L340-K343 PolarHBondContact O-N 3.03Å; R341-K343 VanDerWaalsContact C-N 3.31Å; R341-K343 PolarHBondContact O-N 3.34Å; K343-Q346 PolarHBondContact O-N 3.37Å; K343-T347 PolarHBondContact O-N 3.4Å; K343-T347 PolarHBondContact O-OG1 3.05Å; K343-T347 VanDerWaalsContact O-OG1 3.11Å
344A64.7Low67.5Low33 Ų3377.3 Ų77.327%0.27340%0.397SS..Hα-helixtrans-65-40.6177.400000111.8W59 R341 T347 Q348W59-A344 HydrophobicContact CH2-CB 3.51Å; W59-A344 HydrophobicContact CZ2-CB 4.46Å; W59-A344 HydrophobicContact CZ3-CB 3.64Å; R341-A344 WeakPolarHBondContact O-CB 3.46Å; R341-A344 PolarHBondContact O-N 3.25Å; R341-A344 VanDerWaalsContact O-N 3.08Å; A344-T347 PolarHBondContact O-N 3.34Å; A344-Q348 WeakPolarHBondContact O-CG 3.43Å; A344-Q348 PolarHBondContact O-N 2.99Å
345Y64.3Low65.4Low24 Ų2482.4 Ų82.49%0.09442%0.42CS..Hα-helixtrans-64-43.7172.6-77.5-65.1000112.9R37 D38 L57 W59 R341 Y342 T347 Q348 R349R37-Y345 HydrophobicContact CB-CE1 4.48Å; R37-Y345 WeakPolarHBondContact CB-OH 3.5Å; R37-Y345 PolarHBondContact O-OH 3.45Å; D38-Y345 HydrophobicContact CB-CE2 4.28Å; L57-Y345 HydrophobicContact CD1-CE1 4.44Å; L57-Y345 WeakPolarHBondContact CD1-OH 3.5Å; W59-Y345 HydrophobicContact CZ2-CD2 4.33Å; W59-Y345 AromaticContact CZ2-CE2 3.67Å; W59-Y345 HydrophobicContact CZ2-CE2 3.67Å; W59-Y345 AromaticContact CZ2-CZ 3.82Å; R341-Y345 VanDerWaalsContact O-CD2 3.26Å; R341-Y345 WeakPolarHBondContact O-CD2 3.45Å; R341-Y345 PolarHBondContact O-N 3.11Å; Y342-Y345 PolarHBondContact O-N 2.67Å; Y345-T347 VanDerWaalsContact C-N 3.34Å; Y345-T347 PolarHBondContact O-N 2.63Å; Y345-Q348 PolarHBondContact O-N 3.26Å; Y345-R349 VanDerWaalsContact O-CB 3.26Å; Y345-R349 WeakPolarHBondContact O-CB 3.49Å; Y345-R349 PolarHBondContact O-N 2.71Å
346Q61Low63.4Low88 Ų8885.2 Ų85.241%0.41143%0.433SS..Hα-helixtrans-58.4-44.5174.2-75.3-175.2-31.500112Y342 K343 R349 N350Y342-Q346 HydrophobicContact CD1-CG 4.49Å; Y342-Q346 VanDerWaalsContact CE1-CD 3.5Å; Y342-Q346 HydrophobicContact CE1-CG 4.14Å; Y342-Q346 WeakPolarHBondContact O-CG 3.4Å; Y342-Q346 PolarHBondContact O-N 3Å; Y342-Q346 PolarHBondContact OH-NE2 2.89Å; K343-Q346 PolarHBondContact O-N 3.37Å; Q346-R349 PolarHBondContact O-N 2.69Å; Q346-N350 WeakPolarHBondContact O-CB 3.49Å; Q346-N350 PolarHBondContact O-N 3.06Å; Q346-N350 PolarHBondContact O-OD1 3.1Å
347T59.8Low61.7Low91 Ų9183.2 Ų83.256%0.55843%0.426SS*.Hα-helixtrans-64.1-44.7177-57.10000112.1K343 A344 Y345 R349 N350 V351K343-T347 PolarHBondContact O-N 3.4Å; K343-T347 PolarHBondContact O-OG1 3.05Å; K343-T347 VanDerWaalsContact O-OG1 3.11Å; A344-T347 PolarHBondContact O-N 3.34Å; Y345-T347 VanDerWaalsContact C-N 3.34Å; Y345-T347 PolarHBondContact O-N 2.63Å; T347-R349 PolarHBondContact O-N 2.86Å; T347-N350 PolarHBondContact O-N 3.23Å; T347-V351 WeakPolarHBondContact O-CG2 3.44Å; T347-V351 PolarHBondContact O-N 2.79Å
348Q59.5Low59.7Low92 Ų9283.7 Ų83.743%0.4343%0.43SS..Hα-helixtrans-60.1-46.5175.6-76.8-176.6-9.100111.7A344 Y345 N350 V351 Q352A344-Q348 WeakPolarHBondContact O-CG 3.43Å; A344-Q348 PolarHBondContact O-N 2.99Å; Y345-Q348 PolarHBondContact O-N 3.26Å; Q348-N350 PolarHBondContact O-N 3.26Å; Q348-V351 PolarHBondContact O-N 2.82Å; Q348-Q352 PolarHBondContact O-N 2.85Å
349R56.9Low57.8Low152 Ų15289.1 Ų89.157%0.57446%0.457SS*.Hα-helixtrans-61.1-43.1178.7-169.8167.2175.3151.6-5.1111.8E35 Y345 Q346 T347 V351 Q352 T353E35-R349 IonicContact OE1-NH1 3.66Å; E35-R349 PolarHBondContact OE1-NH1 2.96Å; Y345-R349 VanDerWaalsContact O-CB 3.26Å; Y345-R349 WeakPolarHBondContact O-CB 3.49Å; Y345-R349 PolarHBondContact O-N 2.71Å; Q346-R349 PolarHBondContact O-N 2.69Å; T347-R349 PolarHBondContact O-N 2.86Å; R349-V351 PolarHBondContact O-N 2.96Å; R349-Q352 PolarHBondContact O-N 3.44Å; R349-T353 PolarHBondContact O-N 3.05Å; R349-T353 PolarHBondContact O-OG1 3.07Å; R349-T353 VanDerWaalsContact O-OG1 3.06Å
350N53.8Low56Low106 Ų10693.7 Ų93.757%0.56749%0.488SS*.Hα-helixtrans-63.7-39.2176.3-72.4-7.5000112.8Q346 T347 Q348 T353 S354Q346-N350 WeakPolarHBondContact O-CB 3.49Å; Q346-N350 PolarHBondContact O-N 3.06Å; Q346-N350 PolarHBondContact O-OD1 3.1Å; T347-N350 PolarHBondContact O-N 3.23Å; Q348-N350 PolarHBondContact O-N 3.26Å; N350-T353 WeakPolarHBondContact CA-OG1 3.42Å; N350-T353 PolarHBondContact O-OG1 3.4Å; N350-S354 PolarHBondContact O-N 3.08Å; N350-S354 PolarHBondContact O-OG 2.93Å
351V57.4Low53.9Low79 Ų7996.1 Ų96.148%0.47951%0.507SS..Hα-helixtrans-66.9-37.9174.4170.80000111.4T347 Q348 R349 S354 F355T347-V351 WeakPolarHBondContact O-CG2 3.44Å; T347-V351 PolarHBondContact O-N 2.79Å; Q348-V351 PolarHBondContact O-N 2.82Å; R349-V351 PolarHBondContact O-N 2.96Å; V351-S354 WeakPolarHBondContact CA-OG 3.39Å; V351-S354 PolarHBondContact O-N 3.09Å; V351-S354 PolarHBondContact O-OG 2.75Å; V351-S354 VanDerWaalsContact O-OG 3.11Å; V351-F355 HydrophobicContact CG1-CD2 4.36Å; V351-F355 PolarHBondContact O-N 2.7Å
352Q53.7Low51.9Low135 Ų135101.6 Ų101.663%0.63154%0.543SS*.Hα-helixtrans-72.4-36.5178.4-129159.12.200112.2Q348 R349 N356Q348-Q352 PolarHBondContact O-N 2.85Å; R349-Q352 PolarHBondContact O-N 3.44Å; Q352-N356 PolarHBondContact O-N 3.34Å; Q352-N356 VanDerWaalsContact O-N 3.09Å
353T51.8Low50.3Low83 Ų83101.3 Ų101.351%0.50956%0.556SS.*Hα-helixtrans-68.4-35.8172.247.70000113R349 N350 N356 A357R349-T353 PolarHBondContact O-N 3.05Å; R349-T353 PolarHBondContact O-OG1 3.07Å; R349-T353 VanDerWaalsContact O-OG1 3.06Å; N350-T353 WeakPolarHBondContact CA-OG1 3.42Å; N350-T353 PolarHBondContact O-OG1 3.4Å; T353-N356 PolarHBondContact O-N 3.19Å; T353-A357 WeakPolarHBondContact O-CB 3.44Å; T353-A357 PolarHBondContact O-N 2.95Å
354S48.6Very low48.8Very low58 Ų58100.6 Ų100.641%0.40656%0.564SS.*Hα-helixtrans-75.8-28.4176.656.10000113N350 V351 N358N350-S354 PolarHBondContact O-N 3.08Å; N350-S354 PolarHBondContact O-OG 2.93Å; V351-S354 WeakPolarHBondContact CA-OG 3.39Å; V351-S354 PolarHBondContact O-N 3.09Å; V351-S354 PolarHBondContact O-OG 2.75Å; V351-S354 VanDerWaalsContact O-OG 3.11Å; S354-N358 PolarHBondContact O-N 3.27Å; S354-N358 PolarHBondContact O-ND2 2.79Å
355F44.1Very low47.2Very low141 Ų141104.6 Ų104.662%0.61859%0.59SS**Hα-helixtrans-63.7-45.5166-107.7-89.2000112.2V351 N358V351-F355 HydrophobicContact CG1-CD2 4.36Å; V351-F355 PolarHBondContact O-N 2.7Å; F355-N358 PolarHBondContact O-N 3.36Å
356N44.5Very low45.5Very low110 Ų110111.3 Ų111.359%0.58863%0.627SS**Hα-helixtrans-69.4-32.2178.8-73-8.8000113Q352 T353 N358 I359Q352-N356 PolarHBondContact O-N 3.34Å; Q352-N356 VanDerWaalsContact O-N 3.09Å; T353-N356 PolarHBondContact O-N 3.19Å; N356-N358 VanDerWaalsContact C-N 3.28Å; N356-N358 PolarHBondContact O-N 2.76Å; N356-I359 PolarHBondContact O-N 3.46Å
357A45.3Very low44Very low65 Ų65112.7 Ų112.754%0.53764%0.643SS.*Hα-helixtrans-63.2-34.7172.200000112.3T353 I359 S360T353-A357 WeakPolarHBondContact O-CB 3.44Å; T353-A357 PolarHBondContact O-N 2.95Å; A357-I359 VanDerWaalsContact C-N 3.28Å; A357-I359 PolarHBondContact O-N 3.14Å; A357-S360 PolarHBondContact O-N 3.25Å
358N42.6Very low42.6Very low136 Ų136118.4 Ų118.473%0.72766%0.66SS**THydrogen-bonded Turntrans-80.50.8179.7-72-19000114.6S354 F355 N356S354-N358 PolarHBondContact O-N 3.27Å; S354-N358 PolarHBondContact O-ND2 2.79Å; F355-N358 PolarHBondContact O-N 3.36Å; N356-N358 VanDerWaalsContact C-N 3.28Å; N356-N358 PolarHBondContact O-N 2.76Å
359I43.4Very low41Very low125 Ų125122.3 Ų122.364%0.64168%0.683SS**THydrogen-bonded Turntrans-100.710173.7-60.4168.3000111.1N356 A357 T361N356-I359 PolarHBondContact O-N 3.46Å; A357-I359 VanDerWaalsContact C-N 3.28Å; A357-I359 PolarHBondContact O-N 3.14Å; I359-T361 PolarHBondContact O-N 3.41Å
360S39Very low39.6Very low100 Ų100124.5 Ų124.570%0.69970%0.697SS**  trans-99.464.7172.8-620000112.3A357A357-S360 PolarHBondContact O-N 3.25Å
361T34.8Very low38.4Very low121 Ų121127.2 Ų127.274%0.74271%0.712SS**PPolyproline II helixtrans-82.4134.7163.143.80000110.1I359 V363I359-T361 PolarHBondContact O-N 3.41Å; T361-V363 PolarHBondContact O-N 3.08Å
362P35.5Very low36.9Very low119 Ų119128.7 Ų128.777%0.77373%0.725SS**PPolyproline II helixtrans-66.6130.5174.8-1831.1000110.9P364P362-P364 WeakPolarHBondContact O-CD 3.45Å
363V32.1Very low35.5Very low137 Ų137129.3 Ų129.383%0.8373%0.733SS**PPolyproline II helixtrans-66.8126.2169178.30000108.8T361 S365T361-V363 PolarHBondContact O-N 3.08Å; V363-S365 PolarHBondContact O-N 3.47Å
364P31.5Very low34.2Very low118 Ų118134.6 Ų134.677%0.76675%0.749SS**PPolyproline II helixtrans-66.1128.4175.4-19.332.2000111.2P362P362-P364 WeakPolarHBondContact O-CD 3.45Å
365S31.3Very low33Very low116 Ų116139 Ų13981%0.81176%0.764SS**PPolyproline II helixtrans-70.6126.9175.753.40000111.8V363V363-S365 PolarHBondContact O-N 3.47Å
366L29.1Very low32.1Very low165 Ų165138.5 Ų138.586%0.86476%0.763SS**PPolyproline II helixtrans-66.9151.7170.5-90135.9000112.1
367P29.6Very low31.1Very low117 Ų117141 Ų14176%0.7677%0.769SS**PPolyproline II helixtrans-76.1148.8-170.8-1329.4000113.5L369P367-L369 PolarHBondContact O-N 2.96Å
368K29.1Very low30.1Very low211 Ų211144.8 Ų144.892%0.91778%0.78SS**PPolyproline II helixtrans-72.5122.3168.8-64.6-178.7179.1-178.40110.3
369L27Very low29.3Very low174 Ų174146.7 Ų146.791%0.91179%0.785SS**PPolyproline II helixtrans-79.9143.5163.6-102.2149.9000109.9P367P367-L369 PolarHBondContact O-N 2.96Å
370K27.6Very low28.3Very low198 Ų198149.3 Ų149.386%0.86179%0.791SS**PPolyproline II helixtrans-83149.7-176-74.4177.7172.7178.60111.9
371D29Very low27.7Very low164 Ų164150.2 Ų150.288%0.87780%0.798SS**PPolyproline II helixtrans-64.2146.9172.2-60.4-68.9000113.4
372S26.1Very low27.3Very low109 Ų109148.6 Ų148.676%0.76279%0.791SS**  trans-147.1102155.764.50000111.9
373N24Very low26.9Very low149 Ų149151.4 Ų151.480%0.79779%0.791SS**  trans64.9129.2137.1-77.5-10.5000123.5
374F24Very low26.7Very low193 Ų193151.8 Ų151.885%0.84678%0.784SS**  trans105.1142.1136.9-103-105000121.4
375Q24.3Very low26.6Very low152 Ų152152.7 Ų152.771%0.7178%0.778SS**  trans-79.6175.7-175.6-51.5172.8-12.700110.3
376Q25Very low26.4Very low129 Ų129154.6 Ų154.660%0.60377%0.771SS**  cis-173.4161.832.7-151.7176.984.500111.2
377K22.9Very low26.3Very low164 Ų164152.4 Ų152.471%0.71377%0.765SS**  trans69.7128.3153.7-87.1161.9-175.31540123.1
378N23.4Very low26.1Very low144 Ų144154.6 Ų154.677%0.7776%0.763SS**  trans22.4129.8133.5-53.8-3.5000120.8
379E25.6Very low26Very low176 Ų176153.6 Ų153.682%0.82275%0.753SS**  -173.6-172.393.7-94.5-140.7124.200113.2
380K24.5Very low26Very low179 Ų179153.2 Ų153.278%0.77875%0.746SS**  trans-93.9177.1-155-64.4164.4177.4160.20115.4
381S25.9Very low26.2Very low120 Ų120151.8 Ų151.884%0.83975%0.747SS**  trans85.4151.9155.686.60000116.3
382S25.6Very low26.3Very low86 Ų86149.6 Ų149.660%0.60174%0.742SS**  cis-174.4131-17.5150.40000110.6
383K27.1Very low26.7Very low178 Ų178150 Ų15077%0.77474%0.742SS**  trans64.8154160.4-65.2170.4-175.9-177.60116
384H29.1Very low27.1Very low146 Ų146150.7 Ų150.768%0.67674%0.744SS**  cis-148.1154.66.8-108.2-38.3000111.2
385E28Very low27.2Very low137 Ų137150.8 Ų150.864%0.6475%0.747SS**  trans42.1146.9139.5-63.6-162.3137.400122.8
386K27.8Very low27.3Very low155 Ų155149.2 Ų149.267%0.67475%0.748SS**  cis-154.3148.710.4-122.9155.7-177.8144.30111.6
387T27.4Very low27.3Very low120 Ų120151 Ų15174%0.73676%0.761SS**  trans19129.9153.65.60000121
388K25.4Very low27.3Very low163 Ų163151.1 Ų151.171%0.70976%0.764SS**  cis57141.149.8-68.8-176.3175.2172.10113.1
389R26.5Very low27.3Very low189 Ų189154.9 Ų154.971%0.71377%0.767SS**  cis-168.6162.28.1-119.4173.8179.3171.3-2.4111.9
390H26.8Very low27.2Very low166 Ų166151.8 Ų151.877%0.76976%0.755SS**  trans29140.1149.5-63-56.7000125.1
391L31.9Very low27.2Very low168 Ų168151.2 Ų151.288%0.8876%0.76SS**  trans-76.7154.1156.2-76.3145000113.4
392P30.7Very low27.1Very low118 Ų118149.2 Ų149.277%0.76676%0.758SS**  trans-124.8174.9146.725.6-5.9000113.2
393P35.6Very low27Very low118 Ų118150.4 Ų150.477%0.76677%0.766SS**  trans-113.8169.2-156.841.7-34.4000117.9
394I32.8Very low26.9Very low164 Ų164153.3 Ų153.384%0.84177%0.774SS**  trans9.3127.5154.5-54.3172.6000119.1
395E24.7Very low26.6Very low194 Ų194151.2 Ų151.291%0.90778%0.776SS**  trans-152.9171.1142.4-129.3174.6-144.400113.8
396T26.1Very low26.5Very low119 Ų119153.7 Ų153.773%0.7378%0.784SS**  trans-91.6157.5-164.1-44.40000113.4
397L24.8Very low26.4Very low166 Ų166151.3 Ų151.387%0.86978%0.783SS**  trans170.9163.3130.5-92.4163.5000117.2
398H22.9Very low26.3Very low167 Ų167153.6 Ų153.677%0.77379%0.791SS**  trans-74.1153.9177.3-82.5-150.2000115.3
399W24Very low26.4Very low223 Ų223151 Ų15185%0.84579%0.788SS**  -179125.7122.4-111.756.9000109.8
400I24.2Very low26.3Very low112 Ų112148.9 Ų148.957%0.57480%0.796SS**  79.7128.383.2-70.6-176.2000116.4
401L24.6Very low26.3Very low166 Ų166149.8 Ų149.887%0.86980%0.798SS**  trans-5.8137.5163.6-59.7165.6000120.2
402G23Very low26.1Very low78 Ų78148.5 Ų148.580%0.80480%0.797SS**  trans-155.5101.5162.800000112.5
403S23.4Very low25.8Very low111 Ų111146.1 Ų146.178%0.77679%0.794SS**  trans-80.2138.3178.3-52.50000111.9
404Y24.6Very low25.4Very low239 Ų239148.9 Ų148.994%0.93780%0.802SS**  trans-138131.2155.5-93.5-79.1000112.6
405S23.7Very low25Very low102 Ų102145.7 Ų145.771%0.71379%0.794SS**  trans-116.3138.5173.41610000108.3
406K26.4Very low25.1Very low189 Ų189141.3 Ų141.382%0.82278%0.784SS**  trans-171.8120.7131.6-106.8167.1-176-179.10114
407T25.8Very low25.1Very low105 Ų105147.6 Ų147.664%0.64480%0.795SS**  trans44121.7136.257.90000120.6
408N25.3Very low25.2Very low169 Ų169147.7 Ų147.790%0.90479%0.791SS**  -146.9145.6101.2-104.2-26.5000112.3
409V25.7Very low25.3Very low107 Ų107149.1 Ų149.165%0.64880%0.8SS**  trans-117.1132.8-174.2170.20000108.9K411V409-K411 HydrophobicContact CG1-CG 3.96Å
410V26Very low25.4Very low145 Ų145146.4 Ų146.488%0.87979%0.794SS**  trans-123.2115.3153.4178.30000107.6
411K25.5Very low25.4Very low185 Ų185152.4 Ų152.480%0.80481%0.811SS**  trans-90.4127171.1-79.1175.2174.3176.20108.9V409V409-K411 HydrophobicContact CG1-CG 3.96Å
412T28.3Very low25.4Very low142 Ų142148.6 Ų148.687%0.87180%0.804SS**  trans-127.2133.5137.650.40000106.6
413G23.6Very low25.6Very low68 Ų68150.9 Ų150.970%0.70181%0.805SS**  trans-135.5156.5177.800000109.7
414L27.1Very low25.7Very low176 Ų176154.4 Ų154.492%0.92181%0.809SS**  trans-165122.5145.9-106157.8000111.8
415S25.9Very low25.9Very low97 Ų97149.1 Ų149.168%0.67880%0.801SS**  trans45.593.3150.9-1640000121.3
416S25.1Very low26Very low101 Ų101150 Ų15071%0.70680%0.802SS**  -0.7138.4127.353.50000120.5
417R27.7Very low26Very low252 Ų252147.9 Ų147.995%0.95180%0.8SS**  -142.9141.4122.7-108.7-178.5-177.6-169.10.3110.5
418Q26.4Very low25.9Very low168 Ų168154.3 Ų154.379%0.78581%0.812SS**  trans-85.2149.2-175.1-64.4170.1-20.200111.9
419M24.8Very low25.9Very low196 Ų196153.1 Ų153.197%0.96681%0.806SS**  -148.6141.8129.9-114.9-178.1179.100110.9
420K25.3Very low25.9Very low167 Ų167156 Ų15673%0.72682%0.818SS**  trans-95.3143.6-174.8-63.5171.5178.1175.40109.9
421Y26Very low25.9Very low237 Ų237153.3 Ų153.393%0.92981%0.811SS**  156.7106.6129.2-90.6-68.8000109.7
422A23.2Very low26Very low86 Ų86150.8 Ų150.871%0.71180%0.802SS**  trans-134.3129.3166.600000107.6Q424A422-Q424 PolarHBondContact O-N 3.49Å
423P28.5Very low26.1Very low127 Ų127150 Ų15083%0.82580%0.797SS**  trans-72.4125.7174.629.2-31.7000109.3V425P423-V425 PolarHBondContact O-N 3.03Å
424Q25.6Very low26.3Very low185 Ų185153.2 Ų153.286%0.86479%0.794SS**  trans-67.5116.7174.2-69.1178-15.100109.5A422 T426A422-Q424 PolarHBondContact O-N 3.49Å; Q424-T426 PolarHBondContact O-N 2.98Å
425V28Very low26.3Very low128 Ų128152.3 Ų152.378%0.77679%0.79SS**  trans-81.2108.1163.31790000107P423 N427P423-V425 PolarHBondContact O-N 3.03Å; V425-N427 PolarHBondContact O-N 3.23Å
426T26.3Very low26.5Very low120 Ų120156.3 Ų156.374%0.73680%0.798SS**  trans-65.7112172.150.40000109.3Q424 R428Q424-T426 PolarHBondContact O-N 2.98Å; T426-R428 PolarHBondContact O-N 2.94Å
427N26.3Very low26.5Very low145 Ų145159.3 Ų159.378%0.77580%0.803SS**  trans-63121.6163.4-72.6-28.9000108.3V425V425-N427 PolarHBondContact O-N 3.23Å
428R24.3Very low26.5Very low239 Ų239155.9 Ų155.990%0.90280%0.797SS**  trans-113.6135.3153.6-96.3-174.5171.8175-2.1107.1T426T426-R428 PolarHBondContact O-N 2.94Å
429D24.9Very low26.4Very low144 Ų144154.9 Ų154.977%0.7780%0.798SS**  trans-79.7121.4-162.9-51.8-75.4000112.5
430D25.4Very low26.4Very low169 Ų169154 Ų15490%0.90479%0.791SS**  trans-104.493.6151.1-81.4-37.6000106.7E432D430-E432 PolarHBondContact O-N 2.85Å
431A25Very low26.4Very low88 Ų88152.5 Ų152.573%0.72780%0.796SS**  trans-77.9101.1-176.300000112
432E28.3Very low26.3Very low131 Ų131146.2 Ų146.261%0.61279%0.786SS**  trans-116.784153.8-80.3-156.9118.800109R12 D430R12-E432 IonicContact NH1-OE1 4Å; R12-E432 PolarHBondContact NH1-OE1 3.36Å; D430-E432 PolarHBondContact O-N 2.85Å
433T29.3Very low26.4Very low127 Ų127147.1 Ų147.178%0.77979%0.787SS**  trans-70147173.5-450000110.6
434Q28.4Very low26.2Very low135 Ų135146.1 Ų146.163%0.63178%0.784SS**  trans-78.7150.7174.5-65.1170.7-107.600110.8
435D27.3Very low26.2Very low156 Ų156143.8 Ų143.883%0.83478%0.782SS**  trans-149.6111.2144.9-102.8-29.4000107.8
436E29.8Very low26.1Very low182 Ų182145 Ų14585%0.8578%0.783SS**  trans-121.296.1165.9-75.5179.817100105.5E438E436-E438 PolarHBondContact O-N 3.05Å
437M25.9Very low25.9Very low164 Ų164142.7 Ų142.781%0.80878%0.783SS**  trans-75115.9175.5-86.3-176.465.400110.1
438E27.6Very low25.9Very low179 Ų179142.4 Ų142.484%0.83679%0.787SS**  trans-69.7144.5166.5-63.8178.1149.800110.6E436E436-E438 PolarHBondContact O-N 3.05Å
439N24.9Very low25.8Very low148 Ų148140.8 Ų140.879%0.79179%0.789SS**  trans-135.778.5168.8-103.2-30.8000108.4
440E24.4Very low25.9Very low177 Ų177137.5 Ų137.583%0.82779%0.79SS**  trans-93.7108.7164.5-74.8-160.2149.600109.9S442E440-S442 PolarHBondContact O-N 2.73Å
441V24.8Very low25.9Very low135 Ų135139.4 Ų139.482%0.81879%0.79SS**  trans-86.197.4166.3178.10000108.4S443V441-S443 PolarHBondContact O-N 2.73Å
442S23.6Very low25.8Very low105 Ų105147.2 Ų147.273%0.73480%0.801SS**  trans-67.3107.7170.7-75.20000111.2E440 S444E440-S442 PolarHBondContact O-N 2.73Å; S442-S444 PolarHBondContact O-N 3.42Å
443S25.8Very low25.6Very low105 Ų105145.8 Ų145.873%0.73481%0.806SS**  trans-87.594.8168.562.90000110.9V441 V445V441-S443 PolarHBondContact O-N 2.73Å; S443-V445 PolarHBondContact O-N 3.3Å
444S23.8Very low25.4Very low107 Ų107146 Ų14675%0.74881%0.807SS**  trans-70.1113.2171.554.90000111.2S442S442-S444 PolarHBondContact O-N 3.42Å
445V25.7Very low25.1Very low135 Ų135148.7 Ų148.782%0.81882%0.817SS**  trans-95.3102.2168.8179.80000109.2S443S443-V445 PolarHBondContact O-N 3.3Å
446L25.8Very low24.9Very low153 Ų153152.2 Ų152.280%0.80182%0.818SS**  trans-69.6128.4164.2-99.1123.4000109.5
447G23.4Very low25Very low72 Ų72149.6 Ų149.674%0.74282%0.817SS**  trans-74.6137173.500000111.6
448T25.8Very low24.9Very low140 Ų140146.9 Ų146.986%0.85981%0.814SS**  trans-139.2132.1164.1-16.50000109.3
449Q23Very low24.9Very low204 Ų204144.1 Ų144.195%0.95381%0.81SS**  trans-78141-179.6-67.2177.2-17.600111.2
450G25.9Very low24.9Very low76 Ų76144.5 Ų144.578%0.78481%0.812SS**  trans-161.277.1-177.100000115
451K25.4Very low25Very low208 Ų208140.6 Ų140.690%0.90480%0.804SS**  trans20.2129.3157.9-66.6177.9177.4176.70120.6
452R23.4Very low25Very low252 Ų252145.7 Ų145.795%0.95181%0.809SS**  trans-49.6139156-82.9175.9165.7167.3-5.5111.7
453S23.8Very low25.2Very low102 Ų102152.2 Ų152.271%0.71382%0.817SS**  trans-143.8132.4156.3-177.70000109.2
454T24.4Very low25.3Very low131 Ų131155 Ų15580%0.80482%0.823SS**  trans-103.6120.5-178.644.50000110.5
455F22.8Very low25.4Very low191 Ų191154.8 Ų154.884%0.83882%0.819SS**  trans-140.4121168.2-91.7-86.3000112.4
456R23.8Very low25.8Very low231 Ų231156.7 Ų156.787%0.87283%0.825SS**  trans-103.3164.6143.3-77.4-175.5176.1-168.9-0.2105.5
457P30.9Very low26Very low126 Ų126155.8 Ų155.882%0.81882%0.819SS**  cis-106.9-157.720.140.4-25.4000111
458S23.6Very low26.2Very low108 Ų108163.8 Ų163.876%0.75583%0.829SS**  cis-146.6-177.98.563.60000113.9
459T27.5Very low26.3Very low121 Ų121168.9 Ų168.974%0.74283%0.832SS**  trans-81.8140.2165.9460000111.4
460D25.2Very low26.5Very low156 Ų156168.8 Ų168.883%0.83483%0.829SS**  trans-158.2146.5133.5-108.9-30.5000111.4
461S26.7Very low26.6Very low95 Ų95176.7 Ų176.766%0.66484%0.835SS**  trans-107126.9-169.972.10000112.7
462W24.9Very low26.7Very low241 Ų241175.3 Ų175.391%0.91383%0.832SS**  trans-131.8101.5163.7-70.5102.3000110.1
463R26.7Very low26.8Very low242 Ų242174.4 Ų174.491%0.91383%0.828SS**  trans-83133.1169.9-68.8-175.3-179.6-172.71.5109.2
464L28.1Very low26.9Very low165 Ų165177.1 Ų177.186%0.86483%0.834SS**  trans-110.2155.9163.5-78.4165.6000109.5
465P25.8Very low26.9Very low102 Ų102178.5 Ų178.566%0.66283%0.831SS**  trans-84146.9-150.1-15.232.1000115.8I467P465-I467 HydrophobicContact CB-CG1 4.26Å; P465-I467 PolarHBondContact O-N 3.15Å; P465-I467 VanDerWaalsContact O-N 3.16Å
466D34.7Very low27.1Very low174 Ų174175.3 Ų175.393%0.9383%0.827SS**  trans-68.4101.6168.7-81.6-55.8000111.8
467I29.9Very low27.2Very low134 Ų134171.3 Ų171.369%0.68782%0.818SS**  trans-123.153.8174.6-42.4178.1000111.4P465P465-I467 HydrophobicContact CB-CG1 4.26Å; P465-I467 PolarHBondContact O-N 3.15Å; P465-I467 VanDerWaalsContact O-N 3.16Å
468Y28.8Very low26.9Very low241 Ų241172.8 Ų172.895%0.94581%0.814SS**  trans-14872.1161.8-87-67.3000112.7
469R27.9Very low27.1Very low247 Ų247173.2 Ų173.293%0.93281%0.812SS**  trans-100.9136.4163.6-156174.2-171.2-178.63.2109.4
470K27.3Very low27Very low201 Ų201174.6 Ų174.687%0.87481%0.808SS**  trans76.873.1-173.9-55.8-178.7177.4178.70116.4
471R28.1Very low27.1Very low242 Ų242172.1 Ų172.191%0.91380%0.8SS**  trans-81.4110.6131.6-88.1-173.1174.3-176.2-1.2107.5R473R471-R473 PolarHBondContact O-N 3.01Å
472Q27Very low27.4Very low180 Ų180173.1 Ų173.184%0.84180%0.804SS**  trans-60.2119.4159.3-82171.2-3900107.1L474Q472-L474 PolarHBondContact O-N 2.76Å
473R25.4Very low28.2Very low233 Ų233169.3 Ų169.388%0.87980%0.8SS**  trans-67.791.8162.8-80.7-179.7170.7170.8-3.7106.8R471 H475R471-R473 PolarHBondContact O-N 3.01Å; R473-H475 PolarHBondContact O-N 2.9Å
474L25.4Very low28.9Very low159 Ų159159.4 Ų159.483%0.83277%0.773SS**  trans-57.1110.1152.9-86.7166.1000105.8Q472 V476Q472-L474 PolarHBondContact O-N 2.76Å; L474-V476 PolarHBondContact O-N 2.78Å
475H25Very low30Very low159 Ų159158.1 Ų158.174%0.73676%0.763SS**  trans-77.268.4-179.7-148.174.1000108.1R473 Q477R473-H475 PolarHBondContact O-N 2.9Å; H475-Q477 VanDerWaalsContact C-N 3.28Å; H475-Q477 PolarHBondContact O-N 3.17Å
476V27Very low32.1Very low125 Ų125160.6 Ų160.676%0.75877%0.765SS**  trans-60.3106.6152.5-179.10000103.6L474 E478L474-V476 PolarHBondContact O-N 2.78Å; V476-E478 PolarHBondContact O-N 3.35Å
477Q24.8Very low34.1Very low146 Ų146152.9 Ų152.968%0.68272%0.724SS**  trans-53.7113.4162.7-81.4175.6-32.800105.5H475 V479H475-Q477 VanDerWaalsContact C-N 3.28Å; H475-Q477 PolarHBondContact O-N 3.17Å; Q477-V479 HydrophobicContact CB-CG2 4.37Å; Q477-V479 PolarHBondContact O-N 3.17Å
478E25.8Very low36.7Very low158 Ų158147.4 Ų147.474%0.73870%0.698SS**  trans-58.792.4149.7-79.5-171.216100105.1V476 K480V476-E478 PolarHBondContact O-N 3.35Å; E478-K480 HydrophobicContact CB-CG 4.43Å; E478-K480 PolarHBondContact O-N 3.13Å
479V27.5Very low39.4Very low117 Ų117139.4 Ų139.471%0.70968%0.675SS**  trans-64.779.7153.2-176.10000104.3Q477 P481Q477-V479 HydrophobicContact CB-CG2 4.37Å; Q477-V479 PolarHBondContact O-N 3.17Å; V479-P481 VanDerWaalsContact O-N 3.13Å
480K26Very low42.2Very low150 Ų150130 Ų13065%0.65264%0.643SS**PPolyproline II helixtrans-50121.2156.4-72.3-178.2177.31780103.8E478E478-K480 HydrophobicContact CB-CG 4.43Å; E478-K480 PolarHBondContact O-N 3.13Å
481P26.4Very low45.1Very low104 Ų104122.5 Ų122.568%0.67561%0.609SS**PPolyproline II helixtrans-53.1138.4172.824.9-33000106.4V479 I483V479-P481 VanDerWaalsContact O-N 3.13Å; P481-I483 PolarHBondContact O-N 2.83Å; P481-I483 VanDerWaalsContact O-N 3.13Å
482P32Very low47.9Very low116 Ų116111.7 Ų111.775%0.75357%0.571SS**PPolyproline II helixtrans-51130.1177.122.2-32.5000107.4G484P482-G484 PolarHBondContact O-N 3.34Å
483I42.5Very low50.8Low161 Ų161105.2 Ų105.283%0.82655%0.553SS**  trans-73.474.3177-60174.1000105.9P481P481-I483 PolarHBondContact O-N 2.83Å; P481-I483 VanDerWaalsContact O-N 3.13Å
484G42.4Very low54Low34 Ų3494.2 Ų94.235%0.35151%0.512SS..  trans-73154.3-158.800000112.7P482 H486 R510P482-G484 PolarHBondContact O-N 3.34Å; G484-H486 PolarHBondContact O-N 2.9Å; G484-R510 PolarHBondContact O-NH2 3.43Å
485Q50.8Low57.4Low137 Ų13786.7 Ų86.764%0.6447%0.472SS*.  trans-66.226.4161.2-65.8137.4-79.700112.3V487Q485-V487 VanDerWaalsContact C-N 3.31Å; Q485-V487 PolarHBondContact O-N 3.49Å
486H68.9Low60.6Low155 Ų15579.2 Ų79.272%0.71844%0.438SS*.  trans-70.892-178.7-158.3-43000109.9G484G484-H486 PolarHBondContact O-N 2.9Å
487V77.6Confident63.8Low11 Ų1173.5 Ų73.57%0.06740%0.403CS..PPolyproline II helixtrans-57.8127.5165.6170.80000107.5Q485 L506 C548 F549Q485-V487 VanDerWaalsContact C-N 3.31Å; Q485-V487 PolarHBondContact O-N 3.49Å; V487-L506 HydrophobicContact CG2-CD2 3.98Å; V487-C548 HydrophobicContact CB-CB 4.07Å; V487-C548 HydrophobicContact CG1-CB 3.94Å; V487-C548 VanDerWaalsContact CG1-SG 3.54Å; V487-C548 HydrophobicContact CG2-CB 4.18Å; V487-F549 HydrophobicContact CB-CE2 4.36Å; V487-F549 HydrophobicContact CB-CZ 4.45Å; V487-F549 HydrophobicContact CG1-CD2 4.4Å; V487-F549 HydrophobicContact CG1-CE1 4.18Å; V487-F549 HydrophobicContact CG1-CE2 3.82Å; V487-F549 HydrophobicContact CG1-CZ 3.7Å; V487-F549 HydrophobicContact CG2-CD2 4.44Å; V487-F549 HydrophobicContact CG2-CE2 3.53Å; V487-F549 HydrophobicContact CG2-CZ 3.9Å
488P83.3Confident67.1Low20 Ų2066.9 Ų66.913%0.1337%0.373CS..PPolyproline II helixtrans-60.3144.9178-23.534.1000110.4T186 Y188 I490 R497T186-P488 HydrophobicContact CG2-CB 3.91Å; T186-P488 HydrophobicContact CG2-CG 3.78Å; Y188-P488 VanDerWaalsContact OH-CB 3.29Å; Y188-P488 WeakPolarHBondContact OH-CB 3.39Å; P488-I490 PolarHBondContact O-N 2.88Å; P488-R497 WeakPolarHBondContact O-CD 3.41Å; P488-R497 PolarHBondContact O-NH1 2.72Å
489P87.1Confident70.3Confident72 Ų7259.4 Ų59.447%0.46834%0.337SS..PPolyproline II helixtrans-56.9140.8-176.524.9-34.9000111.1Y188 R491Y188-P489 VanDerWaalsContact CE1-O 3.23Å; Y188-P489 WeakPolarHBondContact CE1-O 3.42Å; Y188-P489 WeakPolarHBondContact OH-CD 3.39Å; Y188-P489 PolarHBondContact OH-O 3Å; P489-R491 VanDerWaalsContact C-N 3.26Å; P489-R491 PolarHBondContact O-N 3.35Å
490I86.7Confident73.5Confident49 Ų4953.8 Ų53.825%0.25130%0.304SS..SBendtrans-65.1-31.5-177.7-168.3169.1000112.2P488 R497 D550P488-I490 PolarHBondContact O-N 2.88Å; I490-R497 WeakPolarHBondContact O-CB 3.43Å; I490-R497 PolarHBondContact O-N 3.12Å; I490-D550 HydrophobicContact CD1-CB 3.98Å
491R87.6Confident76.5Confident45 Ų4547.7 Ų47.717%0.1728%0.277CS..EExtended strand (participates in β ladder)trans-133150.1177.7-72.4178.5175.2-103.71.4112.1P489 F495 I496 L553 G555 E557P489-R491 VanDerWaalsContact C-N 3.26Å; P489-R491 PolarHBondContact O-N 3.35Å; R491-F495 CarbonylContact C-O 3.34Å; R491-F495 VanDerWaalsContact CA-O 3.3Å; R491-F495 WeakPolarHBondContact CA-O 3.19Å; R491-I496 HydrophobicContact CG-CG1 4.24Å; R491-L553 PolarHBondContact NH2-O 3.25Å; R491-G555 VanDerWaalsContact CZ-O 3.3Å; R491-G555 PolarHBondContact NH1-O 2.96Å; R491-G555 PolarHBondContact NH2-O 3.02Å; R491-E557 WeakPolarHBondContact CD-OE1 3.32Å; R491-E557 IonicContact NE-OE1 2.78Å
492A86.1Confident79.5Confident15 Ų1544.3 Ų44.312%0.12425%0.253CS..EExtended strand (participates in β ladder)trans-145.591.9169.300000107.9L331 G494 F495L331-A492 HydrophobicContact CB-CB 4.06Å; L331-A492 HydrophobicContact CD1-CB 3.83Å; L331-A492 HydrophobicContact CG-CB 4.43Å; A492-G494 PolarHBondContact O-N 3.09Å; A492-F495 PolarHBondContact N-O 3.32Å; A492-F495 WeakPolarHBondContact O-CB 3.39Å; A492-F495 PolarHBondContact O-N 3.22Å; A492-F495 VanDerWaalsContact O-N 3.1Å
493G89.4Confident82.2Confident44 Ų4441.7 Ų41.745%0.45424%0.236SC..THydrogen-bonded Turntrans56.2-134.4-163.800000110.7F495G493-F495 PolarHBondContact O-N 2.87Å
494G92.5Very high84.6Confident2 Ų235.7 Ų35.72%0.02121%0.211CC..THydrogen-bonded Turntrans-70.3-4.6175.500000115.9H190 Q191 D327 A492H190-G494 CarbonylContact C-O 3.55Å; H190-G494 WeakPolarHBondContact CA-O 3.38Å; H190-G494 VanDerWaalsContact CD2-C 3.5Å; Q191-G494 WeakPolarHBondContact CG-O 3.29Å; Q191-G494 PolarHBondContact N-O 3.26Å; D327-G494 WeakPolarHBondContact OD2-CA 3.36Å; D327-G494 PolarHBondContact OD2-N 3.09Å; A492-G494 PolarHBondContact O-N 3.09Å
495F95.4Very high87Confident0 Ų034.1 Ų34.10%019%0.194CC..EExtended strand (participates in β ladder)trans-82.8122.2174.5-80.7-73.7000111.9C178 Y188 H190 L286 L324 D327 L328 L331 R491 A492 G493C178-F495 HydrophobicContact CB-CD1 3.91Å; C178-F495 HydrophobicContact CB-CE1 3.43Å; C178-F495 VanDerWaalsContact CB-CE1 3.43Å; C178-F495 HydrophobicContact CB-CZ 3.87Å; Y188-F495 HydrophobicContact CD1-CB 4.07Å; Y188-F495 HydrophobicContact CG-CB 4.33Å; H190-F495 HydrophobicContact CB-CD1 3.97Å; H190-F495 HydrophobicContact CB-CE1 3.8Å; H190-F495 HydrophobicContact CB-CZ 4.28Å; H190-F495 AromaticContact CD2-CD2 3.95Å; H190-F495 AromaticContact CD2-CE2 3.96Å; L286-F495 HydrophobicContact CD1-CE1 4.43Å; L286-F495 HydrophobicContact CD1-CZ 4Å; L324-F495 HydrophobicContact CD1-CE1 4.14Å; L324-F495 HydrophobicContact CD1-CE2 4Å; L324-F495 HydrophobicContact CD1-CZ 3.44Å; L324-F495 VanDerWaalsContact CD1-CZ 3.44Å; D327-F495 HydrophobicContact CB-CD2 3.87Å; D327-F495 HydrophobicContact CB-CE2 4.2Å; L328-F495 HydrophobicContact CB-CE2 3.88Å; L328-F495 HydrophobicContact CB-CZ 4.39Å; L328-F495 HydrophobicContact CD1-CE2 4.46Å; L328-F495 HydrophobicContact CD1-CZ 4.45Å; L331-F495 HydrophobicContact CD2-CB 4.1Å; L331-F495 HydrophobicContact CD2-CD1 4.4Å; L331-F495 HydrophobicContact CD2-CD2 4.11Å; L331-F495 HydrophobicContact CD2-CG 3.95Å; R491-F495 CarbonylContact C-O 3.34Å; R491-F495 VanDerWaalsContact CA-O 3.3Å; R491-F495 WeakPolarHBondContact CA-O 3.19Å; A492-F495 PolarHBondContact N-O 3.32Å; A492-F495 WeakPolarHBondContact O-CB 3.39Å; A492-F495 PolarHBondContact O-N 3.22Å; A492-F495 VanDerWaalsContact O-N 3.1Å; G493-F495 PolarHBondContact O-N 2.87Å
496I94.1Very high88.9Confident3 Ų328.1 Ų28.12%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-108130.8177.6-60.2165.8000109.1Y188 I189 Q191 R491 T498 W554Y188-I496 CarbonylContact C-O 3.55Å; Y188-I496 VanDerWaalsContact CA-O 3.25Å; Y188-I496 WeakPolarHBondContact CA-O 3.24Å; I189-I496 PolarHBondContact N-O 2.72Å; I189-I496 PolarHBondContact O-N 2.91Å; Q191-I496 HydrophobicContact CB-CD1 4Å; R491-I496 HydrophobicContact CG-CG1 4.24Å; I496-T498 WeakPolarHBondContact O-CG2 3.24Å; I496-T498 PolarHBondContact O-N 3.15Å; I496-W554 HydrophobicContact CB-CE3 4.3Å; I496-W554 HydrophobicContact CB-CH2 3.85Å; I496-W554 HydrophobicContact CB-CZ3 3.71Å; I496-W554 HydrophobicContact CD1-CD2 4.37Å; I496-W554 HydrophobicContact CD1-CE3 3.52Å; I496-W554 HydrophobicContact CD1-CZ3 3.65Å; I496-W554 HydrophobicContact CG1-CE3 4.5Å; I496-W554 HydrophobicContact CG1-CZ3 4.22Å; I496-W554 HydrophobicContact CG2-CD2 4.49Å; I496-W554 HydrophobicContact CG2-CE3 4.31Å; I496-W554 HydrophobicContact CG2-CH2 3.9Å; I496-W554 HydrophobicContact CG2-CZ2 4.13Å; I496-W554 HydrophobicContact CG2-CZ3 4.02Å
497R93.8Very high90Very high5 Ų528.8 Ų28.82%0.01917%0.168CC..EExtended strand (participates in β ladder)trans-66.9116.6179.8-173.9-170.769.4-157.7-1.1110.3Y188 P488 I490 P500 C548Y188-R497 HydrophobicContact CD1-CB 4Å; Y188-R497 HydrophobicContact CE1-CB 3.61Å; Y188-R497 HydrophobicContact CE1-CG 4.26Å; P488-R497 WeakPolarHBondContact O-CD 3.41Å; P488-R497 PolarHBondContact O-NH1 2.72Å; I490-R497 WeakPolarHBondContact O-CB 3.43Å; I490-R497 PolarHBondContact O-N 3.12Å; R497-P500 PolarHBondContact NE-O 2.96Å; R497-C548 PolarHBondContact NH1-O 2.86Å; R497-C548 VanDerWaalsContact NH1-O 3.14Å; R497-C548 PolarHBondContact NH2-O 2.93Å
498T93.2Very high90.8Very high7 Ų728.7 Ų28.74%0.04317%0.168CC..EExtended strand (participates in β ladder)trans-107.2-19.4-179.472.10000113.1V187 I189 I496 W554V187-T498 PolarHBondContact O-N 3.48Å; V187-T498 PolarHBondContact O-OG1 2.92Å; I189-T498 HydrophobicContact CB-CG2 3.75Å; I189-T498 HydrophobicContact CD1-CG2 3.78Å; I189-T498 HydrophobicContact CG1-CG2 3.5Å; I496-T498 WeakPolarHBondContact O-CG2 3.24Å; I496-T498 PolarHBondContact O-N 3.15Å; T498-W554 HydrophobicContact CG2-CH2 3.31Å; T498-W554 HydrophobicContact CG2-CZ2 3.39Å
499F93.8Very high91.1Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-152.7135.5173.2-170.7-80.6000109.2L185 T186 V187 T267 F501 T505 V518L185-F499 HydrophobicContact CB-CD1 3.99Å; L185-F499 HydrophobicContact CB-CE1 3.75Å; L185-F499 HydrophobicContact CD2-CD1 3.85Å; L185-F499 HydrophobicContact CD2-CE1 3.91Å; L185-F499 HydrophobicContact CD2-CG 4.41Å; L185-F499 HydrophobicContact CD2-CZ 4.45Å; L185-F499 HydrophobicContact CG-CD1 3.7Å; L185-F499 HydrophobicContact CG-CE1 3.91Å; L185-F499 WeakPolarHBondContact O-CD1 3.27Å; L185-F499 WeakPolarHBondContact O-CE1 3.44Å; T186-F499 CarbonylContact C-O 3.39Å; T186-F499 WeakPolarHBondContact CA-O 3.49Å; V187-F499 HydrophobicContact CB-CB 3.97Å; V187-F499 HydrophobicContact CG2-CB 3.99Å; V187-F499 PolarHBondContact N-O 3.33Å; V187-F499 PolarHBondContact O-N 3.09Å; T267-F499 HydrophobicContact CG2-CD2 3.76Å; T267-F499 HydrophobicContact CG2-CE2 4.32Å; T267-F499 HydrophobicContact CG2-CG 4.38Å; F499-F501 HydrophobicContact CD2-CD1 4.06Å; F499-F501 HydrophobicContact CD2-CE1 4.04Å; F499-F501 HydrophobicContact CE2-CE1 4.36Å; F499-T505 HydrophobicContact CE2-CG2 3.97Å; F499-V518 HydrophobicContact CE2-CB 4.49Å; F499-V518 HydrophobicContact CE2-CG1 3.65Å; F499-V518 HydrophobicContact CE2-CG2 3.98Å; F499-V518 HydrophobicContact CZ-CG1 4.31Å; F499-V518 HydrophobicContact CZ-CG2 3.88Å
500P93.6Very high91.1Very high0 Ų028.7 Ų28.70%016%0.156CC..SBendcis-67153.8-9.631.4-35.5000111.2R497 L506R497-P500 PolarHBondContact NE-O 2.96Å; P500-L506 HydrophobicContact CB-CB 3.71Å; P500-L506 VanDerWaalsContact CB-N 3.34Å; P500-L506 HydrophobicContact CG-CB 3.77Å; P500-L506 HydrophobicContact CG-CD1 3.94Å; P500-L506 HydrophobicContact CG-CG 4.34Å
501F89.2Confident90.6Very high22 Ų2232.9 Ų32.910%0.09618%0.184CC..  trans-117.5-1.6-178.157-99.6000113.3F499 T505 E521 L522 L525 F549 L552F499-F501 HydrophobicContact CD2-CD1 4.06Å; F499-F501 HydrophobicContact CD2-CE1 4.04Å; F499-F501 HydrophobicContact CE2-CE1 4.36Å; F501-T505 HydrophobicContact CD1-CG2 4.35Å; F501-T505 HydrophobicContact CE1-CG2 3.71Å; F501-T505 HydrophobicContact CE2-CG2 3.92Å; F501-T505 HydrophobicContact CZ-CG2 3.46Å; F501-T505 VanDerWaalsContact CZ-CG2 3.46Å; F501-T505 PolarHBondContact N-OG1 2.89Å; F501-T505 VanDerWaalsContact N-OG1 3.13Å; F501-E521 HydrophobicContact CE2-CB 3.92Å; F501-E521 HydrophobicContact CZ-CB 3.83Å; F501-L522 HydrophobicContact CE1-CD2 3.52Å; F501-L522 HydrophobicContact CE1-CG 3.99Å; F501-L522 HydrophobicContact CZ-CD2 3.86Å; F501-L522 HydrophobicContact CZ-CG 4.01Å; F501-L525 HydrophobicContact CD1-CD2 4.48Å; F501-L525 HydrophobicContact CD2-CD2 3.75Å; F501-L525 HydrophobicContact CE2-CB 4.29Å; F501-L525 HydrophobicContact CE2-CD2 3.91Å; F501-L525 HydrophobicContact CG-CD2 4.05Å; F501-L525 HydrophobicContact CZ-CD2 4.35Å; F501-F549 WeakPolarHBondContact O-CD1 3.34Å; F501-L552 HydrophobicContact CB-CD1 4.26Å
502N89.1Confident90.4Very high32 Ų3239.3 Ų39.317%0.17121%0.214CC..SBendtrans-158169.4168.763.410.5000110.1A504 T505 L506 E521 F549N502-A504 VanDerWaalsContact C-N 3.26Å; N502-A504 PolarHBondContact O-N 3.1Å; N502-T505 PolarHBondContact N-OG1 2.96Å; N502-T505 PolarHBondContact O-N 2.9Å; N502-T505 PolarHBondContact O-OG1 3.11Å; N502-T505 WeakPolarHBondContact OD1-CB 3.41Å; N502-T505 WeakPolarHBondContact OD1-CG2 3.24Å; N502-T505 PolarHBondContact OD1-N 2.89Å; N502-T505 PolarHBondContact OD1-OG1 3.02Å; N502-L506 PolarHBondContact O-N 3.34Å; N502-L506 VanDerWaalsContact O-N 3.08Å; N502-E521 PolarHBondContact ND2-OE2 3.08Å; N502-F549 VanDerWaalsContact CA-CD1 3.44Å
503P90.1Very high90.7Very high61 Ų6140 Ų4040%0.39622%0.215SC..Hα-helixtrans-57.9-35.4179.1-27.536.2000113.7L506 K507 F549P503-L506 PolarHBondContact O-N 3.44Å; P503-K507 WeakPolarHBondContact O-CB 3.11Å; P503-K507 PolarHBondContact O-N 3.39Å; P503-F549 HydrophobicContact CB-CE2 4.49Å; P503-F549 HydrophobicContact CG-CD2 3.82Å; P503-F549 HydrophobicContact CG-CE2 3.79Å
504A91.8Very high90.9Very high36 Ų3641.2 Ų41.230%0.29821%0.211SC..Hα-helixtrans-62-46.5178.100000112.4N502 K507 A508 E521N502-A504 VanDerWaalsContact C-N 3.26Å; N502-A504 PolarHBondContact O-N 3.1Å; A504-K507 PolarHBondContact O-N 3.19Å; A504-A508 VanDerWaalsContact O-CB 3.24Å; A504-A508 WeakPolarHBondContact O-CB 3.44Å; A504-A508 PolarHBondContact O-N 3.33Å; A504-E521 HydrophobicContact CB-CG 4.05Å
505T92.9Very high90.9Very high0 Ų041.9 Ų41.90%021%0.214CC..Hα-helixtrans-70.8-33.3176.551.30000113.2F499 F501 N502 S509 V518 E521F499-T505 HydrophobicContact CE2-CG2 3.97Å; F501-T505 HydrophobicContact CD1-CG2 4.35Å; F501-T505 HydrophobicContact CE1-CG2 3.71Å; F501-T505 HydrophobicContact CE2-CG2 3.92Å; F501-T505 HydrophobicContact CZ-CG2 3.46Å; F501-T505 VanDerWaalsContact CZ-CG2 3.46Å; F501-T505 PolarHBondContact N-OG1 2.89Å; F501-T505 VanDerWaalsContact N-OG1 3.13Å; N502-T505 PolarHBondContact N-OG1 2.96Å; N502-T505 PolarHBondContact O-N 2.9Å; N502-T505 PolarHBondContact O-OG1 3.11Å; N502-T505 WeakPolarHBondContact OD1-CB 3.41Å; N502-T505 WeakPolarHBondContact OD1-CG2 3.24Å; N502-T505 PolarHBondContact OD1-N 2.89Å; N502-T505 PolarHBondContact OD1-OG1 3.02Å; T505-S509 WeakPolarHBondContact O-CB 3.4Å; T505-S509 PolarHBondContact O-N 3Å; T505-S509 VanDerWaalsContact O-N 3.13Å; T505-S509 PolarHBondContact O-OG 2.77Å; T505-V518 HydrophobicContact CG2-CG2 4.35Å; T505-E521 HydrophobicContact CG2-CB 3.66Å; T505-E521 HydrophobicContact CG2-CG 4.06Å
506L91.6Very high90.9Very high12 Ų1245.8 Ų45.86%0.06324%0.24CC..Hα-helixtrans-60.2-52.2170.5172.857.5000110.2P184 V487 P500 N502 P503 A508 S509 R510 F549P184-L506 HydrophobicContact CB-CD1 4.26Å; P184-L506 HydrophobicContact CG-CD1 4.33Å; V487-L506 HydrophobicContact CG2-CD2 3.98Å; P500-L506 HydrophobicContact CB-CB 3.71Å; P500-L506 VanDerWaalsContact CB-N 3.34Å; P500-L506 HydrophobicContact CG-CB 3.77Å; P500-L506 HydrophobicContact CG-CD1 3.94Å; P500-L506 HydrophobicContact CG-CG 4.34Å; N502-L506 PolarHBondContact O-N 3.34Å; N502-L506 VanDerWaalsContact O-N 3.08Å; P503-L506 PolarHBondContact O-N 3.44Å; L506-A508 PolarHBondContact O-N 2.78Å; L506-S509 PolarHBondContact O-N 3.35Å; L506-S509 PolarHBondContact O-OG 3.22Å; L506-R510 WeakPolarHBondContact O-CG 3.2Å; L506-R510 PolarHBondContact O-N 3.48Å; L506-F549 HydrophobicContact CB-CZ 4.36Å; L506-F549 HydrophobicContact CD2-CZ 4.26Å
507K92Very high91Very high169 Ų16947.9 Ų47.974%0.73525%0.253SS*.Hα-helixtrans-58.9-47.4177.8-174.3176.1-179.3176.90112.1P503 A504 S509 R510P503-K507 WeakPolarHBondContact O-CB 3.11Å; P503-K507 PolarHBondContact O-N 3.39Å; A504-K507 PolarHBondContact O-N 3.19Å; K507-S509 PolarHBondContact O-N 2.71Å; K507-S509 VanDerWaalsContact O-N 3.17Å; K507-R510 PolarHBondContact O-N 3.18Å
508A93.3Very high91Very high9 Ų947.6 Ų47.67%0.07425%0.252CS..Hα-helixtrans-62.5-19.8178.700000113.9A504 L506 L513 D514 V517 V518A504-A508 VanDerWaalsContact O-CB 3.24Å; A504-A508 WeakPolarHBondContact O-CB 3.44Å; A504-A508 PolarHBondContact O-N 3.33Å; L506-A508 PolarHBondContact O-N 2.78Å; A508-L513 CarbonylContact O-C 3.59Å; A508-L513 WeakPolarHBondContact O-CA 3.11Å; A508-D514 HydrophobicContact CB-CB 4.07Å; A508-D514 PolarHBondContact O-N 2.85Å; A508-V517 HydrophobicContact CB-CB 4.02Å; A508-V517 HydrophobicContact CB-CG1 3.83Å; A508-V518 HydrophobicContact CB-CG2 3.82Å
509S90.8Very high91.1Very high4 Ų447.8 Ų47.83%0.02825%0.252CS..Hα-helixtrans-93.5-10.6179.474.20000115.1P184 T505 L506 K507P184-S509 WeakPolarHBondContact CA-O 3.45Å; P184-S509 WeakPolarHBondContact CB-OG 3.34Å; T505-S509 WeakPolarHBondContact O-CB 3.4Å; T505-S509 PolarHBondContact O-N 3Å; T505-S509 VanDerWaalsContact O-N 3.13Å; T505-S509 PolarHBondContact O-OG 2.77Å; L506-S509 PolarHBondContact O-N 3.35Å; L506-S509 PolarHBondContact O-OG 3.22Å; K507-S509 PolarHBondContact O-N 2.71Å; K507-S509 VanDerWaalsContact O-N 3.17Å
510R86.1Confident91.2Very high87 Ų8752.7 Ų52.733%0.32828%0.275SS..SBendtrans-84.4137.6-176.8-72.6172.9174.7-163.5-6.9111.6P184 G484 L506 K507 K512P184-R510 HydrophobicContact CB-CG 3.94Å; P184-R510 HydrophobicContact CG-CG 4.42Å; G484-R510 PolarHBondContact O-NH2 3.43Å; L506-R510 WeakPolarHBondContact O-CG 3.2Å; L506-R510 PolarHBondContact O-N 3.48Å; K507-R510 PolarHBondContact O-N 3.18Å; R510-K512 PolarHBondContact O-N 2.91Å
511V76.8Confident91.2Very high138 Ų13853.8 Ų53.884%0.83628%0.28SS*.SBendtrans66.5-59.2172.7-173.50000114.5N183N183-V511 PolarHBondContact OD1-N 2.71Å
512K83.9Confident91.4Very high180 Ų18053 Ų5378%0.78328%0.277SS*.SBendtrans-139.3117.1175.1-178.2-176.7177.3-173.80108.4R510 D514R510-K512 PolarHBondContact O-N 2.91Å; K512-D514 PolarHBondContact O-N 3.35Å
513L90.8Very high91.6Very high30 Ų3056.4 Ų56.416%0.15729%0.292CS..  trans-60.4115.1-177.5-178.569.6000112.4L271 T274 P275 A508 V515 V518L271-L513 HydrophobicContact CD2-CD1 3.85Å; L271-L513 HydrophobicContact CD2-CD2 3.74Å; L271-L513 HydrophobicContact CD2-CG 4.29Å; T274-L513 HydrophobicContact CG2-CD2 3.79Å; P275-L513 HydrophobicContact CG-CD2 3.99Å; A508-L513 CarbonylContact O-C 3.59Å; A508-L513 WeakPolarHBondContact O-CA 3.11Å; L513-V515 HydrophobicContact CD2-CG2 3.6Å; L513-V515 HydrophobicContact CG-CG2 3.78Å; L513-V515 PolarHBondContact O-N 3.02Å; L513-V518 HydrophobicContact CD1-CG2 4.49Å
514D94.1Very high91.7Very high68 Ų6858.3 Ų58.336%0.36429%0.294SS..  trans-86.689.3167.7-167.1-40.8000109.4A508 K512 P516 V517 V518A508-D514 HydrophobicContact CB-CB 4.07Å; A508-D514 PolarHBondContact O-N 2.85Å; K512-D514 PolarHBondContact O-N 3.35Å; D514-P516 VanDerWaalsContact OD1-CD 3.24Å; D514-P516 WeakPolarHBondContact OD1-CD 3.43Å; D514-V517 HydrophobicContact CB-CB 4.35Å; D514-V517 HydrophobicContact CB-CG2 4.42Å; D514-V517 WeakPolarHBondContact OD1-CG2 3.33Å; D514-V517 PolarHBondContact OD1-N 3.45Å; D514-V518 WeakPolarHBondContact O-CG2 3.32Å; D514-V518 PolarHBondContact O-N 2.69Å
515V93.5Very high91.7Very high16 Ų1658 Ų5810%0.09729%0.288CS..Hα-helixtrans-62.3-46.1178.6-177.50000111.9M84 F88 L513 V517 V518 L519M84-V515 HydrophobicContact CE-CG1 4.29Å; F88-V515 HydrophobicContact CD2-CG1 4.44Å; F88-V515 HydrophobicContact CE1-CB 4.33Å; F88-V515 HydrophobicContact CE1-CG1 3.88Å; F88-V515 HydrophobicContact CE2-CG1 3.77Å; F88-V515 HydrophobicContact CZ-CB 3.85Å; F88-V515 HydrophobicContact CZ-CG1 3.44Å; F88-V515 VanDerWaalsContact CZ-CG1 3.44Å; L513-V515 HydrophobicContact CD2-CG2 3.6Å; L513-V515 HydrophobicContact CG-CG2 3.78Å; L513-V515 PolarHBondContact O-N 3.02Å; V515-V517 PolarHBondContact O-N 3.36Å; V515-V518 PolarHBondContact O-N 3.32Å; V515-L519 HydrophobicContact CG1-CD1 3.86Å; V515-L519 HydrophobicContact CG1-CG 3.95Å; V515-L519 VanDerWaalsContact O-CG 3.3Å; V515-L519 WeakPolarHBondContact O-CG 3.5Å; V515-L519 PolarHBondContact O-N 3.38Å
516P94.5Very high91.6Very high82 Ų8259.3 Ų59.353%0.53230%0.295SS..Hα-helixtrans-50.2-48.4176-30.336.2000114.9D514 L519 Q520D514-P516 VanDerWaalsContact OD1-CD 3.24Å; D514-P516 WeakPolarHBondContact OD1-CD 3.43Å; P516-L519 PolarHBondContact O-N 3.15Å; P516-Q520 PolarHBondContact O-N 3.49Å
517V95.6Very high91.5Very high47 Ų4761.7 Ų61.729%0.28532%0.316SS..Hα-helixtrans-62.3-45.5178.1172.40000110.9A508 D514 V515 L519 Q520 E521A508-V517 HydrophobicContact CB-CB 4.02Å; A508-V517 HydrophobicContact CB-CG1 3.83Å; D514-V517 HydrophobicContact CB-CB 4.35Å; D514-V517 HydrophobicContact CB-CG2 4.42Å; D514-V517 WeakPolarHBondContact OD1-CG2 3.33Å; D514-V517 PolarHBondContact OD1-N 3.45Å; V515-V517 PolarHBondContact O-N 3.36Å; V517-L519 VanDerWaalsContact C-N 3.3Å; V517-L519 PolarHBondContact O-N 3.11Å; V517-Q520 PolarHBondContact O-N 3.35Å; V517-E521 WeakPolarHBondContact O-CG 3.48Å; V517-E521 PolarHBondContact O-N 3.05Å
518V95.1Very high91.3Very high0 Ų058.9 Ų58.90%030%0.301CS..Hα-helixtrans-59.7-39.9176.8172.60000112.1L271 F499 T505 A508 L513 D514 V515 E521 L522L271-V518 HydrophobicContact CD1-CG1 3.71Å; L271-V518 HydrophobicContact CD2-CG1 4.2Å; F499-V518 HydrophobicContact CE2-CB 4.49Å; F499-V518 HydrophobicContact CE2-CG1 3.65Å; F499-V518 HydrophobicContact CE2-CG2 3.98Å; F499-V518 HydrophobicContact CZ-CG1 4.31Å; F499-V518 HydrophobicContact CZ-CG2 3.88Å; T505-V518 HydrophobicContact CG2-CG2 4.35Å; A508-V518 HydrophobicContact CB-CG2 3.82Å; L513-V518 HydrophobicContact CD1-CG2 4.49Å; D514-V518 WeakPolarHBondContact O-CG2 3.32Å; D514-V518 PolarHBondContact O-N 2.69Å; V515-V518 PolarHBondContact O-N 3.32Å; V518-E521 PolarHBondContact O-N 2.72Å; V518-L522 HydrophobicContact CG1-CD1 3.9Å; V518-L522 HydrophobicContact CG1-CG 4.35Å; V518-L522 WeakPolarHBondContact O-CB 3.46Å; V518-L522 VanDerWaalsContact O-CG 3.28Å; V518-L522 WeakPolarHBondContact O-CG 3.48Å; V518-L522 PolarHBondContact O-N 3.39Å
519L95.1Very high90.9Very high10 Ų1059 Ų595%0.05230%0.301CS..Hα-helixtrans-66.6-40.1178.2-66.4179000112.4F88 L92 L268 L271 V515 P516 V517 L522 Q523F88-L519 HydrophobicContact CB-CD1 3.84Å; F88-L519 HydrophobicContact CD1-CD1 3.31Å; F88-L519 HydrophobicContact CD2-CD1 4.25Å; F88-L519 HydrophobicContact CE1-CD1 3.87Å; F88-L519 HydrophobicContact CG-CD1 3.53Å; L92-L519 HydrophobicContact CD1-CB 4.34Å; L92-L519 HydrophobicContact CD1-CD1 3.92Å; L92-L519 HydrophobicContact CD1-CD2 4.09Å; L92-L519 HydrophobicContact CD1-CG 4.34Å; L268-L519 HydrophobicContact CD2-CD2 3.21Å; L271-L519 HydrophobicContact CD1-CD2 4.49Å; V515-L519 HydrophobicContact CG1-CD1 3.86Å; V515-L519 HydrophobicContact CG1-CG 3.95Å; V515-L519 VanDerWaalsContact O-CG 3.3Å; V515-L519 WeakPolarHBondContact O-CG 3.5Å; V515-L519 PolarHBondContact O-N 3.38Å; P516-L519 PolarHBondContact O-N 3.15Å; V517-L519 VanDerWaalsContact C-N 3.3Å; V517-L519 PolarHBondContact O-N 3.11Å; L519-L522 PolarHBondContact O-N 3.32Å; L519-Q523 WeakPolarHBondContact O-CG 3.44Å; L519-Q523 PolarHBondContact O-N 3.46Å
520Q95.3Very high90.7Very high103 Ų10361.4 Ų61.448%0.48132%0.321SS..Hα-helixtrans-62.4-45.9176.2-172-177.413.700111.2P516 V517 Q523 K524P516-Q520 PolarHBondContact O-N 3.49Å; V517-Q520 PolarHBondContact O-N 3.35Å; Q520-Q523 PolarHBondContact O-N 2.99Å; Q520-K524 WeakPolarHBondContact O-CG 3.12Å; Q520-K524 PolarHBondContact O-N 3.4Å
521E94.4Very high90.6Very high23 Ų2360.7 Ų60.711%0.10733%0.33CS..Hα-helixtrans-66.2-39.3178.3-66.7-53.2119.600112.6F501 N502 A504 T505 V517 V518 Q523 K524 L525F501-E521 HydrophobicContact CE2-CB 3.92Å; F501-E521 HydrophobicContact CZ-CB 3.83Å; N502-E521 PolarHBondContact ND2-OE2 3.08Å; A504-E521 HydrophobicContact CB-CG 4.05Å; T505-E521 HydrophobicContact CG2-CB 3.66Å; T505-E521 HydrophobicContact CG2-CG 4.06Å; V517-E521 WeakPolarHBondContact O-CG 3.48Å; V517-E521 PolarHBondContact O-N 3.05Å; V518-E521 PolarHBondContact O-N 2.72Å; E521-Q523 VanDerWaalsContact C-N 3.31Å; E521-Q523 PolarHBondContact O-N 2.74Å; E521-K524 PolarHBondContact O-N 3.37Å; E521-K524 WeakPolarHBondContact OE1-CD 3.49Å; E521-K524 WeakPolarHBondContact OE1-CE 3.48Å; E521-K524 IonicContact OE1-NZ 2.72Å; E521-K524 PolarHBondContact OE1-NZ 3.22Å; E521-L525 WeakPolarHBondContact O-CB 3.45Å; E521-L525 PolarHBondContact O-N 3.13Å
522L93.3Very high90.3Very high7 Ų757 Ų574%0.03732%0.319CS..Hα-helixtrans-61.4-38.9173.2-76.4169000111.9T267 L268 F501 V518 L519 T526T267-L522 HydrophobicContact CG2-CD1 3.94Å; T267-L522 HydrophobicContact CG2-CD2 4.37Å; L268-L522 HydrophobicContact CD2-CD1 4.07Å; L268-L522 HydrophobicContact CG-CD1 4.43Å; F501-L522 HydrophobicContact CE1-CD2 3.52Å; F501-L522 HydrophobicContact CE1-CG 3.99Å; F501-L522 HydrophobicContact CZ-CD2 3.86Å; F501-L522 HydrophobicContact CZ-CG 4.01Å; V518-L522 HydrophobicContact CG1-CD1 3.9Å; V518-L522 HydrophobicContact CG1-CG 4.35Å; V518-L522 WeakPolarHBondContact O-CB 3.46Å; V518-L522 VanDerWaalsContact O-CG 3.28Å; V518-L522 WeakPolarHBondContact O-CG 3.48Å; V518-L522 PolarHBondContact O-N 3.39Å; L519-L522 PolarHBondContact O-N 3.32Å; L522-T526 WeakPolarHBondContact O-CB 3.26Å; L522-T526 PolarHBondContact O-N 3.42Å; L522-T526 PolarHBondContact O-OG1 3.49Å
523Q93.6Very high89.1Confident103 Ų10355.8 Ų55.848%0.48131%0.309SS..Hα-helixtrans-66.2-45.9175.9-75.1175.7-3100111.8L92 L519 Q520 E521 T526 A527L92-Q523 HydrophobicContact CD2-CG 4.05Å; L519-Q523 WeakPolarHBondContact O-CG 3.44Å; L519-Q523 PolarHBondContact O-N 3.46Å; Q520-Q523 PolarHBondContact O-N 2.99Å; E521-Q523 VanDerWaalsContact C-N 3.31Å; E521-Q523 PolarHBondContact O-N 2.74Å; Q523-T526 PolarHBondContact O-N 3.45Å; Q523-A527 WeakPolarHBondContact O-CB 3.35Å; Q523-A527 PolarHBondContact O-N 2.88Å
524K92.4Very high87.4Confident101 Ų10157.6 Ų57.644%0.43932%0.319SS..Hα-helixtrans-56.6-50.5174.9-71.1174.6-177.5172.30111.7Q520 E521 T526 A527 R528Q520-K524 WeakPolarHBondContact O-CG 3.12Å; Q520-K524 PolarHBondContact O-N 3.4Å; E521-K524 PolarHBondContact O-N 3.37Å; E521-K524 WeakPolarHBondContact OE1-CD 3.49Å; E521-K524 WeakPolarHBondContact OE1-CE 3.48Å; E521-K524 IonicContact OE1-NZ 2.72Å; E521-K524 PolarHBondContact OE1-NZ 3.22Å; K524-T526 VanDerWaalsContact C-N 3.35Å; K524-T526 PolarHBondContact O-N 3.38Å; K524-A527 PolarHBondContact O-N 3.43Å; K524-R528 PolarHBondContact O-N 3.24Å
525L90.4Very high84.9Confident30 Ų3063.1 Ų63.116%0.15734%0.342CS..Hα-helixtrans-60.3-44.2178.6178.758.7000111.5F501 E521 A527 R528 V529 L552F501-L525 HydrophobicContact CD1-CD2 4.48Å; F501-L525 HydrophobicContact CD2-CD2 3.75Å; F501-L525 HydrophobicContact CE2-CB 4.29Å; F501-L525 HydrophobicContact CE2-CD2 3.91Å; F501-L525 HydrophobicContact CG-CD2 4.05Å; F501-L525 HydrophobicContact CZ-CD2 4.35Å; E521-L525 WeakPolarHBondContact O-CB 3.45Å; E521-L525 PolarHBondContact O-N 3.13Å; L525-A527 VanDerWaalsContact C-N 3.32Å; L525-A527 PolarHBondContact O-N 2.91Å; L525-R528 PolarHBondContact O-N 3.32Å; L525-V529 HydrophobicContact CD1-CG2 4.26Å; L525-V529 WeakPolarHBondContact O-CG2 3.26Å; L525-V529 PolarHBondContact O-N 2.92Å; L525-L552 HydrophobicContact CD1-CD1 4.35Å; L525-L552 HydrophobicContact CD2-CD1 3.95Å
526T90.3Very high82.2Confident27 Ų2768.9 Ų68.917%0.16637%0.368CS..Hα-helixtrans-62.3-38.9177.9-54.20000112.2F257 N264 L522 Q523 K524 A530F257-T526 HydrophobicContact CE2-CG2 4.1Å; N264-T526 PolarHBondContact ND2-OG1 2.66Å; L522-T526 WeakPolarHBondContact O-CB 3.26Å; L522-T526 PolarHBondContact O-N 3.42Å; L522-T526 PolarHBondContact O-OG1 3.49Å; Q523-T526 PolarHBondContact O-N 3.45Å; K524-T526 VanDerWaalsContact C-N 3.35Å; K524-T526 PolarHBondContact O-N 3.38Å; T526-A530 VanDerWaalsContact O-CB 3.31Å; T526-A530 WeakPolarHBondContact O-CB 3.36Å; T526-A530 PolarHBondContact O-N 2.9Å
527A90.4Very high79.5Confident61 Ų6169.5 Ų69.550%0.50437%0.371SS..Hα-helixtrans-68.2-40.1176.900000112.4Q523 K524 L525 A530 S531Q523-A527 WeakPolarHBondContact O-CB 3.35Å; Q523-A527 PolarHBondContact O-N 2.88Å; K524-A527 PolarHBondContact O-N 3.43Å; L525-A527 VanDerWaalsContact C-N 3.32Å; L525-A527 PolarHBondContact O-N 2.91Å; A527-A530 PolarHBondContact O-N 3.09Å; A527-S531 PolarHBondContact O-N 3.25Å; A527-S531 VanDerWaalsContact O-N 3.09Å; A527-S531 PolarHBondContact O-OG 2.94Å
528R87.6Confident76.5Confident110 Ų11074.2 Ų74.242%0.41540%0.4SS..Hα-helixtrans-61.1-46.4173.9-74.117964.7171.10.1112.2K524 L525 A530 S531 G532 R533K524-R528 PolarHBondContact O-N 3.24Å; L525-R528 PolarHBondContact O-N 3.32Å; R528-A530 VanDerWaalsContact C-N 3.33Å; R528-A530 PolarHBondContact O-N 2.97Å; R528-S531 PolarHBondContact O-N 3.02Å; R528-S531 PolarHBondContact O-OG 2.78Å; R528-S531 VanDerWaalsContact O-OG 3.06Å; R528-G532 PolarHBondContact O-N 2.99Å; R528-R533 PolarHBondContact O-N 2.76Å
529V85.7Confident73.6Confident13 Ų1377.4 Ų77.48%0.07943%0.433CS..Hα-helixtrans-67-35.4177.6-179.70000111.3P256 F257 Q260 L525 S531 G532 L534P256-V529 HydrophobicContact CB-CG1 4.29Å; F257-V529 HydrophobicContact CB-CG1 4.25Å; F257-V529 HydrophobicContact CD2-CG1 4.46Å; Q260-V529 HydrophobicContact CB-CB 4.32Å; Q260-V529 HydrophobicContact CB-CG1 4.05Å; Q260-V529 HydrophobicContact CB-CG2 4.3Å; Q260-V529 HydrophobicContact CG-CB 4.35Å; Q260-V529 HydrophobicContact CG-CG2 4.12Å; L525-V529 HydrophobicContact CD1-CG2 4.26Å; L525-V529 WeakPolarHBondContact O-CG2 3.26Å; L525-V529 PolarHBondContact O-N 2.92Å; V529-S531 VanDerWaalsContact C-N 3.34Å; V529-S531 PolarHBondContact O-N 3.06Å; V529-G532 PolarHBondContact O-N 3.11Å; V529-L534 HydrophobicContact CG2-CD1 4.07Å
530A86.1Confident70.7Confident53 Ų5386.9 Ų86.944%0.43848%0.477SS..Hα-helixtrans-65.8-32.7176.300000113.5F257 T526 A527 R528F257-A530 HydrophobicContact CD2-CB 3.91Å; F257-A530 HydrophobicContact CE2-CB 3.61Å; F257-A530 HydrophobicContact CZ-CB 4.26Å; T526-A530 VanDerWaalsContact O-CB 3.31Å; T526-A530 WeakPolarHBondContact O-CB 3.36Å; T526-A530 PolarHBondContact O-N 2.9Å; A527-A530 PolarHBondContact O-N 3.09Å; R528-A530 VanDerWaalsContact C-N 3.33Å; R528-A530 PolarHBondContact O-N 2.97Å
531S84.2Confident67.7Low73 Ų7385 Ų8551%0.5148%0.484SS..THydrogen-bonded Turntrans-87.60.3179.564.50000114.3A527 R528 V529 R533A527-S531 PolarHBondContact O-N 3.25Å; A527-S531 VanDerWaalsContact O-N 3.09Å; A527-S531 PolarHBondContact O-OG 2.94Å; R528-S531 PolarHBondContact O-N 3.02Å; R528-S531 PolarHBondContact O-OG 2.78Å; R528-S531 VanDerWaalsContact O-OG 3.06Å; V529-S531 VanDerWaalsContact C-N 3.34Å; V529-S531 PolarHBondContact O-N 3.06Å; S531-R533 PolarHBondContact O-N 3.5Å
532G71.1Confident64.9Low59 Ų5993 Ų9361%0.60852%0.522SS*.THydrogen-bonded Turntrans75.62.2-179.400000115R528 V529 L534R528-G532 PolarHBondContact O-N 2.99Å; V529-G532 PolarHBondContact O-N 3.11Å; G532-L534 VanDerWaalsContact C-N 3.33Å; G532-L534 PolarHBondContact O-N 3Å
533R58.2Low62.5Low155 Ų155101.7 Ų101.759%0.58556%0.563SS**  trans-84.372.4-178.5-60.4-169.2-168.6-1702.8111.8R528 S531 E536R528-R533 PolarHBondContact O-N 2.76Å; S531-R533 PolarHBondContact O-N 3.5Å; R533-E536 IonicContact NH1-OE2 2.69Å
534L54.8Low59.8Low68 Ų68106 Ų10636%0.35658%0.582SS.*SBendtrans-80.5-28.3173.3-119.877.6000113.1V529 G532V529-L534 HydrophobicContact CG2-CD1 4.07Å; G532-L534 VanDerWaalsContact C-N 3.33Å; G532-L534 PolarHBondContact O-N 3Å
535E42.5Very low57.3Low184 Ų184105.2 Ų105.286%0.8658%0.583SS**SBendtrans-107.5-11.4-162.6-63.7-178162.600116T537E535-T537 PolarHBondContact O-N 2.96Å
536E35.8Very low55.1Low137 Ų137110.6 Ų110.664%0.6461%0.608SS**  trans-85.175.2-179.2-70.1179.7160.900112.8R533R533-E536 IonicContact NH1-OE2 2.69Å
537T37Very low53Low95 Ų95116.5 Ų116.558%0.58364%0.638SS**  trans-138.461.8156.641.80000111E535E535-T537 PolarHBondContact O-N 2.96Å
538T34.2Very low51.2Low147 Ų147116.7 Ų116.790%0.90264%0.635SS**  trans-109.679.8150.954.10000107.2
539G32.6Very low49.8Very low67 Ų67113 Ų11369%0.69162%0.622SS**  trans-118.3118.3175.500000108.8G541G539-G541 PolarHBondContact O-N 3.33Å
540E35.2Very low48.3Very low209 Ų209117.5 Ų117.598%0.97765%0.646SS**  trans-62.8114.8-178.7-60.5169.3143.800110.5
541G33.2Very low46.7Very low62 Ų62117.8 Ų117.864%0.63965%0.645SS**  trans166.4103.8175.500000115.8G539G539-G541 PolarHBondContact O-N 3.33Å
542E33.8Very low45.2Very low191 Ų191116.1 Ų116.189%0.89363%0.63SS**  trans71.3102.5168.2-57.7-173.9173.200116.6
543E42.9Very low44.4Very low191 Ų191119 Ų11989%0.89363%0.631SS**  trans-78.9165.9-175.7-63.3173.813100114.7
544E37.6Very low44.6Very low192 Ų192113.9 Ų113.990%0.89761%0.611SS**SBendtrans102.1-22.3161.1-58.1-164.6163.600120.6
545D40.7Very low44.6Very low86 Ų86111.3 Ų111.346%0.4660%0.601SS.*SBendtrans-121.6-5-178.4-106.9-25.3000115.4
546E43.6Very low45Very low143 Ų143104.9 Ų104.967%0.66858%0.575SS**SBendtrans-80.3-31.6-176.9-67.4-140.1132.300114.7C548 F549E546-C548 PolarHBondContact O-N 3.45Å; E546-F549 PolarHBondContact O-N 3.41Å
547D46Very low45.7Very low150 Ų150105.1 Ų105.180%0.80258%0.577SS**THydrogen-bonded Turntrans-59.3-13.2-175.9-72.2-10.1000114.9
548C52.6Low46.3Very low65 Ų65107.5 Ų107.544%0.43959%0.586SS.*THydrogen-bonded Turntrans-94.21.2179.4-143.70000114.2V487 R497 E546V487-C548 HydrophobicContact CB-CB 4.07Å; V487-C548 HydrophobicContact CG1-CB 3.94Å; V487-C548 VanDerWaalsContact CG1-SG 3.54Å; V487-C548 HydrophobicContact CG2-CB 4.18Å; R497-C548 PolarHBondContact NH1-O 2.86Å; R497-C548 VanDerWaalsContact NH1-O 3.14Å; R497-C548 PolarHBondContact NH2-O 2.93Å; E546-C548 PolarHBondContact O-N 3.45Å
549F58.4Low46.9Very low32 Ų32105.3 Ų105.314%0.1457%0.574CS.*SBendtrans-124.243.4176.7-69.8-84000112.3V487 F501 N502 P503 L506 E546V487-F549 HydrophobicContact CB-CE2 4.36Å; V487-F549 HydrophobicContact CB-CZ 4.45Å; V487-F549 HydrophobicContact CG1-CD2 4.4Å; V487-F549 HydrophobicContact CG1-CE1 4.18Å; V487-F549 HydrophobicContact CG1-CE2 3.82Å; V487-F549 HydrophobicContact CG1-CZ 3.7Å; V487-F549 HydrophobicContact CG2-CD2 4.44Å; V487-F549 HydrophobicContact CG2-CE2 3.53Å; V487-F549 HydrophobicContact CG2-CZ 3.9Å; F501-F549 WeakPolarHBondContact O-CD1 3.34Å; N502-F549 VanDerWaalsContact CA-CD1 3.44Å; P503-F549 HydrophobicContact CB-CE2 4.49Å; P503-F549 HydrophobicContact CG-CD2 3.82Å; P503-F549 HydrophobicContact CG-CE2 3.79Å; L506-F549 HydrophobicContact CB-CZ 4.36Å; L506-F549 HydrophobicContact CD2-CZ 4.26Å; E546-F549 PolarHBondContact O-N 3.41Å
550D54.6Low47.3Very low108 Ų108104.3 Ų104.358%0.57856%0.556SS**  trans-38.8148.3167.9-90.7-35.1000113.7I490 L552I490-D550 HydrophobicContact CD1-CB 3.98Å; D550-L552 PolarHBondContact O-N 3.24Å
551S52.8Low47.4Very low60 Ų60100 Ų10042%0.4254%0.539SS..  trans-47.3136.4179.169.40000111.5L553S551-L553 PolarHBondContact O-N 2.99Å
552L52.3Low47.7Very low38 Ų38102.2 Ų102.220%0.19954%0.535CS..  trans-70.468.1-177.9-79.8161.5000111.3F501 L525 D550 W554F501-L552 HydrophobicContact CB-CD1 4.26Å; L525-L552 HydrophobicContact CD1-CD1 4.35Å; L525-L552 HydrophobicContact CD2-CD1 3.95Å; D550-L552 PolarHBondContact O-N 3.24Å; L552-W554 VanDerWaalsContact C-N 3.35Å; L552-W554 PolarHBondContact O-N 3.33Å
553L53.8Low47.7Very low119 Ų11996.7 Ų96.762%0.62352%0.518SS*.  trans-68.491173.7-74.5168000108.9R491 S551 G555R491-L553 PolarHBondContact NH2-O 3.25Å; S551-L553 PolarHBondContact O-N 2.99Å; L553-G555 PolarHBondContact O-N 3.03Å
554W61.5Low47.5Very low47 Ų4793.3 Ų93.318%0.17850%0.502CS..  trans-78.6112.7176.8-81.4101.5000111.4I189 W259 N263 I496 T498 L552I189-W554 HydrophobicContact CB-CH2 4.01Å; I189-W554 HydrophobicContact CB-CZ3 4.5Å; W259-W554 AromaticContact CD1-CD1 3.77Å; W259-W554 AromaticContact CD1-CD2 3.37Å; W259-W554 AromaticContact CD1-CE2 3.56Å; W259-W554 AromaticContact CD1-CE3 3.85Å; W259-W554 AromaticContact CD1-CG 3.51Å; W259-W554 AromaticContact CD1-NE1 3.78Å; W259-W554 AromaticContact CE2-CE3 3.86Å; W259-W554 AromaticContact CE2-CZ3 3.89Å; W259-W554 HydrophobicContact CZ2-CE3 4.2Å; W259-W554 HydrophobicContact CZ2-CH2 4.33Å; W259-W554 AromaticContact CZ2-CZ3 3.88Å; W259-W554 HydrophobicContact CZ2-CZ3 3.88Å; W259-W554 AromaticContact NE1-CD2 3.02Å; W259-W554 AromaticContact NE1-CE2 3.21Å; W259-W554 AromaticContact NE1-CE3 3.06Å; W259-W554 AromaticContact NE1-CG 3.7Å; W259-W554 AromaticContact NE1-CH2 3.5Å; W259-W554 AromaticContact NE1-CZ2 3.45Å; W259-W554 AromaticContact NE1-CZ3 3.31Å; W259-W554 VanDerWaalsContact NE1-CZ3 3.31Å; W259-W554 AromaticContact NE1-NE1 3.92Å; N263-W554 WeakPolarHBondContact ND2-CZ2 3.49Å; N263-W554 PolarHBondContact ND2-NE1 3.48Å; I496-W554 HydrophobicContact CB-CE3 4.3Å; I496-W554 HydrophobicContact CB-CH2 3.85Å; I496-W554 HydrophobicContact CB-CZ3 3.71Å; I496-W554 HydrophobicContact CD1-CD2 4.37Å; I496-W554 HydrophobicContact CD1-CE3 3.52Å; I496-W554 HydrophobicContact CD1-CZ3 3.65Å; I496-W554 HydrophobicContact CG1-CE3 4.5Å; I496-W554 HydrophobicContact CG1-CZ3 4.22Å; I496-W554 HydrophobicContact CG2-CD2 4.49Å; I496-W554 HydrophobicContact CG2-CE3 4.31Å; I496-W554 HydrophobicContact CG2-CH2 3.9Å; I496-W554 HydrophobicContact CG2-CZ2 4.13Å; I496-W554 HydrophobicContact CG2-CZ3 4.02Å; T498-W554 HydrophobicContact CG2-CH2 3.31Å; T498-W554 HydrophobicContact CG2-CZ2 3.39Å; L552-W554 VanDerWaalsContact C-N 3.35Å; L552-W554 PolarHBondContact O-N 3.33Å
555G55.2Low47.8Very low14 Ų1489.8 Ų89.814%0.14448%0.481CS..SBendtrans155.7-179.9-179.300000111.9Q191 R491 L553Q191-G555 PolarHBondContact OE1-O 2.84Å; Q191-G555 VanDerWaalsContact OE1-O 3.04Å; R491-G555 VanDerWaalsContact CZ-O 3.3Å; R491-G555 PolarHBondContact NH1-O 2.96Å; R491-G555 PolarHBondContact NH2-O 3.02Å; L553-G555 PolarHBondContact O-N 3.03Å
556P50.8Low47.8Very low49 Ų4991.8 Ų91.832%0.31849%0.485SS..  trans-60152.516330.4-37.6000111Q191 P559Q191-P556 VanDerWaalsContact OE1-CA 3.29Å; P556-P559 HydrophobicContact CG-CB 4.3Å
557E51.6Low47.4Very low143 Ų14391.2 Ų91.267%0.66849%0.487SS*.SBendtrans-64.1-47.5175.7-67.1175163.700110.5R491R491-E557 WeakPolarHBondContact CD-OE1 3.32Å; R491-E557 IonicContact NE-OE1 2.78Å
558D49.6Very low46.9Very low144 Ų14490.2 Ų90.277%0.7749%0.486SS*.SBendtrans-104.4109.8166.1-71.1-52.8000110P560D558-P560 VanDerWaalsContact O-CD 3.22Å; D558-P560 WeakPolarHBondContact O-CD 3.46Å
559P45.8Very low46Very low101 Ų10196.4 Ų96.466%0.65651%0.506SS*.  trans-68115.9175.325.7-32000111P556 L561P556-P559 HydrophobicContact CG-CB 4.3Å; P559-L561 PolarHBondContact O-N 3.5Å
560P42.3Very low44.8Very low47 Ų47105 Ų10531%0.30556%0.561SS.*  trans-63133.8-179.923-32000110.9D558 L562 Q564 W565D558-P560 VanDerWaalsContact O-CD 3.22Å; D558-P560 WeakPolarHBondContact O-CD 3.46Å; P560-L562 PolarHBondContact O-N 3.36Å; P560-Q564 VanDerWaalsContact CB-OE1 3.31Å; P560-W565 HydrophobicContact CG-CZ2 3.58Å; P560-W565 PolarHBondContact O-NE1 3.44Å
561L37.4Very low44.3Very low119 Ų119104.9 Ų104.962%0.62356%0.56SS**  trans-49.6137.2-179.9-68170.9000110.8P559 S563 Q564P559-L561 PolarHBondContact O-N 3.5Å; L561-S563 PolarHBondContact O-N 2.93Å; L561-Q564 HydrophobicContact CB-CG 4.3Å; L561-Q564 WeakPolarHBondContact O-CB 3.42Å; L561-Q564 PolarHBondContact O-N 3.21Å
562L37.8Very low43.9Very low107 Ų107107.2 Ų107.256%0.5657%0.568SS**G310 helixtrans-51.6-32.2-176.4-74171.7000113.6Y246 P560 Q564 W565 F566Y246-L562 HydrophobicContact CD2-CD2 3.75Å; Y246-L562 HydrophobicContact CE2-CD2 3.41Å; Y246-L562 VanDerWaalsContact CE2-CD2 3.41Å; P560-L562 PolarHBondContact O-N 3.36Å; L562-Q564 VanDerWaalsContact C-N 3.29Å; L562-Q564 PolarHBondContact O-N 3.4Å; L562-W565 PolarHBondContact O-N 3.42Å; L562-F566 WeakPolarHBondContact O-CD2 3.47Å
563S34Very low43.4Very low76 Ų76111.1 Ų111.153%0.53159%0.588SS.*G310 helixtrans-62.4-28.2175.552.30000114.5L561L561-S563 PolarHBondContact O-N 2.93Å
564Q39.7Very low42.8Very low120 Ų120110.6 Ų110.656%0.56159%0.586SS**G310 helixtrans-72.5-28-178-63.3178.6-5.100112.4P560 L561 L562 F566P560-Q564 VanDerWaalsContact CB-OE1 3.31Å; L561-Q564 HydrophobicContact CB-CG 4.3Å; L561-Q564 WeakPolarHBondContact O-CB 3.42Å; L561-Q564 PolarHBondContact O-N 3.21Å; L562-Q564 VanDerWaalsContact C-N 3.29Å; L562-Q564 PolarHBondContact O-N 3.4Å; Q564-F566 VanDerWaalsContact C-N 3.28Å; Q564-F566 PolarHBondContact O-N 3.16Å
565W43Very low41.6Very low118 Ų118114.6 Ų114.645%0.44761%0.612SS.*G310 helixtrans-72-18.9179.1-66.993.2000114.3P560 L562P560-W565 HydrophobicContact CG-CZ2 3.58Å; P560-W565 PolarHBondContact O-NE1 3.44Å; L562-W565 PolarHBondContact O-N 3.42Å
566F40.5Very low40.7Very low128 Ų128121.3 Ų121.356%0.56164%0.643SS**G310 helixtrans-106.8-1.4-176-66.6-77000114Y246 L562 Q564 T568Y246-F566 HydrophobicContact CE1-CE2 4.28Å; Y246-F566 AromaticContact CE1-CZ 3.89Å; Y246-F566 HydrophobicContact CE1-CZ 3.89Å; L562-F566 WeakPolarHBondContact O-CD2 3.47Å; Q564-F566 VanDerWaalsContact C-N 3.28Å; Q564-F566 PolarHBondContact O-N 3.16Å; F566-T568 PolarHBondContact O-N 3.48Å
567N35.3Very low40Very low131 Ų131126.4 Ų126.470%0.70167%0.666SS**  trans-80.345.5178-93.2-19.9000114
568T35.7Very low39.1Very low128 Ų128125.2 Ų125.279%0.78567%0.666SS**SBendtrans-101.5102.4149.7520000106.9F566F566-T568 PolarHBondContact O-N 3.48Å
569K33.8Very low38.2Very low195 Ų195123.6 Ų123.685%0.84866%0.657SS**  trans-52.6141.2-168-68.3-177.9176.7-178.60113.1
570T33.2Very low37.5Very low213 Ų213125.6 Ų125.6100%1.30766%0.657SS**  trans-47.40159.648.30000112.5

Retrieved 570 of 570 residues in 250.5 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).