A0A077Z8D5_TRITR Loading...

p25 alpha family protein

AlphaFold DB , UniProt , Accession A0A077Z8D5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 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
1M42.2Very low55.1Low241 Ų241123 Ų123100%1.18764%0.642SS**  091.60-73.8176.6-178.300107.6V3M1-V3 PolarHBondContact O-N 3.07Å
2S40.4Very low56.8Low114 Ų114118.6 Ų118.680%0.79765%0.649SS**  trans-73.5114.1169.8-70.60000107.3E4S2-E4 VanDerWaalsContact C-N 3.29Å; S2-E4 PolarHBondContact O-N 3.29Å
3V45.2Very low58.4Low138 Ų138118.2 Ų118.284%0.83665%0.645SS**  trans-72.196.4167.5-1770000105.2M1 N5M1-V3 PolarHBondContact O-N 3.07Å; V3-N5 VanDerWaalsContact C-N 3.28Å; V3-N5 PolarHBondContact O-N 3.01Å
4E38.8Very low60.1Low167 Ų167111.1 Ų111.178%0.7861%0.608SS**  trans-60.797.1170.8-142.1118.115600106.8S2 K6S2-E4 VanDerWaalsContact C-N 3.29Å; S2-E4 PolarHBondContact O-N 3.29Å; E4-K6 PolarHBondContact O-N 3.24Å
5N41.9Very low61.6Low139 Ų139106.9 Ų106.974%0.74359%0.589SS**  trans-6394.4169.7-171.948.1000105.6V3 R7V3-N5 VanDerWaalsContact C-N 3.28Å; V3-N5 PolarHBondContact O-N 3.01Å; N5-R7 VanDerWaalsContact C-N 3.35Å; N5-R7 PolarHBondContact O-N 3.31Å
6K52Low62.9Low189 Ų189102.4 Ų102.482%0.82256%0.561SS**  trans-51.5105.8172.3-74.3-172.5178.2-178.40106.1E4 G8E4-K6 PolarHBondContact O-N 3.24Å; K6-G8 VanDerWaalsContact C-N 3.31Å; K6-G8 PolarHBondContact O-N 3.26Å
7R56.7Low63.7Low239 Ų239104.4 Ų104.490%0.90257%0.571SS**  trans-60.6102.9169.5-77.7-175.3-91.5170.3-5.4104.5N5N5-R7 VanDerWaalsContact C-N 3.35Å; N5-R7 PolarHBondContact O-N 3.31Å
8G63.9Low64.2Low41 Ų41103.8 Ų103.842%0.42357%0.567SS.*PPolyproline II helixtrans-59.4150.6174.800000109.1K6 S10K6-G8 VanDerWaalsContact C-N 3.31Å; K6-G8 PolarHBondContact O-N 3.26Å; G8-S10 PolarHBondContact O-N 3.18Å
9T71.9Confident65.1Low36 Ų3699.2 Ų99.222%0.22154%0.54CS..PPolyproline II helixtrans-60.2121.2178.1-49.30000109.2D13 V14 V92 V106T9-D13 HydrophobicContact CG2-CB 3.78Å; T9-V14 HydrophobicContact CG2-CG1 3.62Å; T9-V92 HydrophobicContact CG2-CG1 3.85Å; T9-V92 WeakPolarHBondContact O-CG1 3.38Å; T9-V106 HydrophobicContact CG2-CG1 4.48Å
10S76.3Confident66.1Low41 Ų4198 Ų9829%0.28753%0.533SS..PPolyproline II helixtrans-89166.5173.970.90000110.7G8 G12 D13G8-S10 PolarHBondContact O-N 3.18Å; S10-G12 PolarHBondContact O-N 2.95Å; S10-G12 VanDerWaalsContact O-N 3.14Å; S10-G12 PolarHBondContact OG-N 3.36Å; S10-D13 WeakPolarHBondContact CB-OD2 3.36Å; S10-D13 PolarHBondContact N-OD2 3.43Å; S10-D13 PolarHBondContact O-N 3.24Å; S10-D13 PolarHBondContact OG-OD2 2.87Å
11A76.5Confident67Low8 Ų897 Ų977%0.06653%0.525CS..THydrogen-bonded Turntrans-61.8-18.8175.100000113.5V14 W16 R88 E89 V92A11-V14 WeakPolarHBondContact O-CG2 3.47Å; A11-W16 HydrophobicContact CB-CZ2 4.08Å; A11-W16 PolarHBondContact O-NE1 3.32Å; A11-R88 HydrophobicContact CB-CB 4.28Å; A11-E89 WeakPolarHBondContact CA-OE1 3.42Å; A11-E89 HydrophobicContact CB-CG 4.3Å; A11-E89 WeakPolarHBondContact CB-OE1 3.42Å; A11-E89 PolarHBondContact N-OE1 3.49Å; A11-V92 HydrophobicContact CB-CG2 4.3Å
12G75.4Confident69Low70 Ų7093.1 Ų93.172%0.72250%0.504SS*.THydrogen-bonded Turntrans-80-14.9173.700000114.6S10S10-G12 PolarHBondContact O-N 2.95Å; S10-G12 VanDerWaalsContact O-N 3.14Å; S10-G12 PolarHBondContact OG-N 3.36Å
13D77.5Confident71.3Confident113 Ų11392 Ų9260%0.60449%0.487SS*.SBendtrans-93.1-2.1-176.3-59.2-51.5000113.2T9 S10T9-D13 HydrophobicContact CG2-CB 3.78Å; S10-D13 WeakPolarHBondContact CB-OD2 3.36Å; S10-D13 PolarHBondContact N-OD2 3.43Å; S10-D13 PolarHBondContact O-N 3.24Å; S10-D13 PolarHBondContact OG-OD2 2.87Å
14V82.3Confident73.3Confident19 Ų1985.5 Ų85.512%0.11545%0.447CS..SBendtrans-120.8151.3-174.9-660000111.2T9 A11 W16 V92 V106 L110T9-V14 HydrophobicContact CG2-CG1 3.62Å; A11-V14 WeakPolarHBondContact O-CG2 3.47Å; V14-W16 HydrophobicContact CG2-CZ2 4.16Å; V14-V92 HydrophobicContact CG1-CG1 4.24Å; V14-V92 HydrophobicContact CG2-CG2 3.72Å; V14-V106 HydrophobicContact CG1-CG1 4.4Å; V14-L110 HydrophobicContact CB-CD2 3.81Å; V14-L110 HydrophobicContact CG1-CD2 4.29Å; V14-L110 HydrophobicContact CG2-CD2 3.57Å
15S82.5Confident75.7Confident48 Ų4881.5 Ų81.534%0.33643%0.428SS..  trans-82.6139.7173.8-162.40000110.6D17 Q107S15-D17 WeakPolarHBondContact CB-OD2 3.14Å; S15-D17 PolarHBondContact OG-OD1 3.26Å; S15-D17 PolarHBondContact OG-OD2 3.12Å; S15-Q107 PolarHBondContact O-NE2 3.47Å; S15-Q107 PolarHBondContact O-OE1 2.84Å
16W83.3Confident78Confident36 Ų3680 Ų8014%0.13642%0.417CS..  trans-114.936.2-179.4-69.490.6000111.2A11 V14 N18 W19 R88 L91 V92 L110A11-W16 HydrophobicContact CB-CZ2 4.08Å; A11-W16 PolarHBondContact O-NE1 3.32Å; V14-W16 HydrophobicContact CG2-CZ2 4.16Å; W16-N18 PolarHBondContact O-N 3.49Å; W16-N18 VanDerWaalsContact O-N 3.15Å; W16-W19 HydrophobicContact CB-CB 4Å; W16-W19 HydrophobicContact CE3-CB 3.75Å; W16-W19 AromaticContact CE3-CD2 3.63Å; W16-W19 HydrophobicContact CE3-CD2 3.63Å; W16-W19 AromaticContact CE3-CE3 3.88Å; W16-W19 HydrophobicContact CE3-CE3 3.88Å; W16-W19 AromaticContact CE3-CG 3.62Å; W16-W19 HydrophobicContact CE3-CG 3.62Å; W16-W19 AromaticContact CZ3-CD2 3.73Å; W16-W19 HydrophobicContact CZ3-CD2 3.73Å; W16-W19 AromaticContact CZ3-CE3 3.65Å; W16-W19 HydrophobicContact CZ3-CE3 3.65Å; W16-W19 HydrophobicContact CZ3-CG 4.22Å; W16-W19 HydrophobicContact CZ3-CH2 4.4Å; W16-W19 HydrophobicContact CZ3-CZ2 4.47Å; W16-W19 HydrophobicContact CZ3-CZ3 4Å; W16-W19 WeakPolarHBondContact O-CB 3.46Å; W16-W19 PolarHBondContact O-N 2.89Å; W16-R88 HydrophobicContact CH2-CB 3.81Å; W16-R88 HydrophobicContact CH2-CG 4.06Å; W16-R88 HydrophobicContact CZ2-CB 3.84Å; W16-R88 HydrophobicContact CZ2-CG 4.34Å; W16-R88 HydrophobicContact CZ3-CG 4.49Å; W16-L91 HydrophobicContact CH2-CB 4.38Å; W16-L91 HydrophobicContact CH2-CD1 4.48Å; W16-V92 HydrophobicContact CH2-CG2 4.22Å; W16-V92 HydrophobicContact CZ2-CG2 3.72Å; W16-L110 HydrophobicContact CH2-CD1 4.07Å; W16-L110 HydrophobicContact CH2-CD2 4.3Å; W16-L110 HydrophobicContact CZ2-CD2 4.24Å; W16-L110 HydrophobicContact CZ3-CD1 4.28Å; W16-L110 HydrophobicContact CZ3-CD2 4.47Å
17D76.5Confident79.8Confident135 Ų13572.2 Ų72.272%0.72238%0.382SS*.THydrogen-bonded Turntrans-59.7-29.4-173.4-62.5-45.8000113.4S15S15-D17 WeakPolarHBondContact CB-OD2 3.14Å; S15-D17 PolarHBondContact OG-OD1 3.26Å; S15-D17 PolarHBondContact OG-OD2 3.12Å
18N73Confident81.5Confident94 Ų9461.5 Ų61.550%0.50334%0.342SS..THydrogen-bonded Turntrans-95.914.1179-64.7-49.9000113.8W16 D111W16-N18 PolarHBondContact O-N 3.49Å; W16-N18 VanDerWaalsContact O-N 3.15Å; N18-D111 PolarHBondContact ND2-OD1 3.05Å
19W81.3Confident82.8Confident16 Ų1662.4 Ų62.46%0.06134%0.335CS..  trans-115.895.9-175.2-171.9-87.8000110.4W16 E21 M24 W50 Y84 R88 L91 C114 L117W16-W19 HydrophobicContact CB-CB 4Å; W16-W19 HydrophobicContact CE3-CB 3.75Å; W16-W19 AromaticContact CE3-CD2 3.63Å; W16-W19 HydrophobicContact CE3-CD2 3.63Å; W16-W19 AromaticContact CE3-CE3 3.88Å; W16-W19 HydrophobicContact CE3-CE3 3.88Å; W16-W19 AromaticContact CE3-CG 3.62Å; W16-W19 HydrophobicContact CE3-CG 3.62Å; W16-W19 AromaticContact CZ3-CD2 3.73Å; W16-W19 HydrophobicContact CZ3-CD2 3.73Å; W16-W19 AromaticContact CZ3-CE3 3.65Å; W16-W19 HydrophobicContact CZ3-CE3 3.65Å; W16-W19 HydrophobicContact CZ3-CG 4.22Å; W16-W19 HydrophobicContact CZ3-CH2 4.4Å; W16-W19 HydrophobicContact CZ3-CZ2 4.47Å; W16-W19 HydrophobicContact CZ3-CZ3 4Å; W16-W19 WeakPolarHBondContact O-CB 3.46Å; W16-W19 PolarHBondContact O-N 2.89Å; W19-E21 PolarHBondContact NE1-OE2 3.45Å; W19-E21 PolarHBondContact O-N 3.07Å; W19-E21 VanDerWaalsContact O-N 3.12Å; W19-M24 HydrophobicContact CD2-CB 3.99Å; W19-M24 HydrophobicContact CD2-CG 3.58Å; W19-M24 HydrophobicContact CD2-SD 4.36Å; W19-M24 VanDerWaalsContact CE2-CB 3.42Å; W19-M24 HydrophobicContact CE3-CG 3.86Å; W19-M24 HydrophobicContact CE3-SD 4.03Å; W19-M24 HydrophobicContact CG-CG 4.04Å; W19-M24 HydrophobicContact CH2-CB 4.15Å; W19-M24 HydrophobicContact CH2-CG 4.19Å; W19-M24 HydrophobicContact CH2-SD 4.1Å; W19-M24 HydrophobicContact CZ2-CB 3.53Å; W19-M24 HydrophobicContact CZ2-CG 3.92Å; W19-M24 HydrophobicContact CZ2-SD 4.4Å; W19-M24 HydrophobicContact CZ3-CG 4.16Å; W19-M24 HydrophobicContact CZ3-SD 3.9Å; W19-W50 HydrophobicContact CH2-CH2 4Å; W19-Y84 HydrophobicContact CZ2-CE2 4.43Å; W19-Y84 PolarHBondContact NE1-OH 2.9Å; W19-R88 HydrophobicContact CZ2-CG 4.21Å; W19-L91 HydrophobicContact CH2-CD1 3.44Å; W19-L91 VanDerWaalsContact CH2-CD1 3.44Å; W19-L91 HydrophobicContact CZ2-CD1 4.46Å; W19-L91 HydrophobicContact CZ3-CD1 3.64Å; W19-C114 HydrophobicContact CE3-CB 4.09Å; W19-L117 HydrophobicContact CZ3-CD1 4.07Å
20N84.7Confident83.7Confident75 Ų7563.8 Ų63.840%0.40134%0.34SS..  trans-71.4105.1168.8-175.7-17.7000108.6E22 E23 M24N20-E22 VanDerWaalsContact C-N 3.27Å; N20-E22 PolarHBondContact O-N 3.14Å; N20-E22 PolarHBondContact OD1-N 2.83Å; N20-E23 HydrophobicContact CB-CB 4.15Å; N20-E23 HydrophobicContact CB-CG 4.34Å; N20-E23 PolarHBondContact ND2-OE1 2.94Å; N20-E23 VanDerWaalsContact ND2-OE1 3.07Å; N20-E23 PolarHBondContact O-N 2.75Å; N20-M24 VanDerWaalsContact O-CB 3.28Å; N20-M24 WeakPolarHBondContact O-CB 3.43Å; N20-M24 VanDerWaalsContact O-CG 3.22Å; N20-M24 WeakPolarHBondContact O-CG 3.22Å; N20-M24 PolarHBondContact O-N 3.18Å
21E84.2Confident84.4Confident77 Ų7761.9 Ų61.936%0.3633%0.327SS..Hα-helixtrans-53.8-43.3-174.3-161.583.3170.700111.6W19 Q25 Y84 R88W19-E21 PolarHBondContact NE1-OE2 3.45Å; W19-E21 PolarHBondContact O-N 3.07Å; W19-E21 VanDerWaalsContact O-N 3.12Å; E21-Q25 WeakPolarHBondContact O-CB 3.5Å; E21-Q25 PolarHBondContact O-N 3.49Å; E21-Y84 HydrophobicContact CG-CE1 4.42Å; E21-Y84 PolarHBondContact O-OH 3.3Å; E21-Y84 WeakPolarHBondContact OE1-CE1 3.46Å; E21-R88 IonicContact OE1-CZ 3.98Å; E21-R88 IonicContact OE1-NH1 3.82Å; E21-R88 PolarHBondContact OE1-NH1 2.86Å; E21-R88 IonicContact OE2-CZ 3.8Å; E21-R88 IonicContact OE2-NH1 2.98Å; E21-R88 PolarHBondContact OE2-NH1 2.78Å
22E85.6Confident85.1Confident161 Ų16161.6 Ų61.675%0.75232%0.324SS*.Hα-helixtrans-67.4-48.9-177.5-64.6-173.5171.600112N20 M24 Q25 H26N20-E22 VanDerWaalsContact C-N 3.27Å; N20-E22 PolarHBondContact O-N 3.14Å; N20-E22 PolarHBondContact OD1-N 2.83Å; E22-M24 VanDerWaalsContact C-N 3.34Å; E22-M24 PolarHBondContact O-N 2.98Å; E22-Q25 PolarHBondContact O-N 3.3Å; E22-H26 WeakPolarHBondContact O-CB 3.28Å; E22-H26 PolarHBondContact O-N 3.23Å
23E87.9Confident85.9Confident91 Ų9163.8 Ų63.843%0.42531%0.311SS..Hα-helixtrans-65.4-41178.5-73.4-176.8-150.200111.6N20 H26 R27N20-E23 HydrophobicContact CB-CB 4.15Å; N20-E23 HydrophobicContact CB-CG 4.34Å; N20-E23 PolarHBondContact ND2-OE1 2.94Å; N20-E23 VanDerWaalsContact ND2-OE1 3.07Å; N20-E23 PolarHBondContact O-N 2.75Å; E23-H26 PolarHBondContact O-N 3.09Å; E23-R27 WeakPolarHBondContact O-CB 3.46Å; E23-R27 VanDerWaalsContact O-CD 3.28Å; E23-R27 WeakPolarHBondContact O-CD 3.16Å; E23-R27 WeakPolarHBondContact O-CG 3.28Å; E23-R27 PolarHBondContact O-N 3.15Å; E23-R27 IonicContact OE2-CZ 3.95Å; E23-R27 IonicContact OE2-NH2 2.83Å; E23-R27 PolarHBondContact OE2-NH2 2.81Å
24M87.9Confident86.4Confident1 Ų161.7 Ų61.71%0.00530%0.297CS..Hα-helixtrans-70-38.4-179.2-71.8-65.8162.700111.6W19 N20 E22 R27 W28 L117W19-M24 HydrophobicContact CD2-CB 3.99Å; W19-M24 HydrophobicContact CD2-CG 3.58Å; W19-M24 HydrophobicContact CD2-SD 4.36Å; W19-M24 VanDerWaalsContact CE2-CB 3.42Å; W19-M24 HydrophobicContact CE3-CG 3.86Å; W19-M24 HydrophobicContact CE3-SD 4.03Å; W19-M24 HydrophobicContact CG-CG 4.04Å; W19-M24 HydrophobicContact CH2-CB 4.15Å; W19-M24 HydrophobicContact CH2-CG 4.19Å; W19-M24 HydrophobicContact CH2-SD 4.1Å; W19-M24 HydrophobicContact CZ2-CB 3.53Å; W19-M24 HydrophobicContact CZ2-CG 3.92Å; W19-M24 HydrophobicContact CZ2-SD 4.4Å; W19-M24 HydrophobicContact CZ3-CG 4.16Å; W19-M24 HydrophobicContact CZ3-SD 3.9Å; N20-M24 VanDerWaalsContact O-CB 3.28Å; N20-M24 WeakPolarHBondContact O-CB 3.43Å; N20-M24 VanDerWaalsContact O-CG 3.22Å; N20-M24 WeakPolarHBondContact O-CG 3.22Å; N20-M24 PolarHBondContact O-N 3.18Å; E22-M24 VanDerWaalsContact C-N 3.34Å; E22-M24 PolarHBondContact O-N 2.98Å; M24-R27 PolarHBondContact O-N 3.24Å; M24-W28 WeakPolarHBondContact O-CB 3.32Å; M24-W28 PolarHBondContact O-N 3.23Å; M24-L117 HydrophobicContact SD-CB 4.42Å
25Q89.5Confident86.5Confident82 Ų8264.7 Ų64.738%0.38333%0.331SS..Hα-helixtrans-62.8-45.5172.2-173.2-179.6-24.200110.7E21 E22 R27 W28 E29 Y84E21-Q25 WeakPolarHBondContact O-CB 3.5Å; E21-Q25 PolarHBondContact O-N 3.49Å; E22-Q25 PolarHBondContact O-N 3.3Å; Q25-R27 PolarHBondContact O-N 2.91Å; Q25-W28 WeakPolarHBondContact O-CB 3.17Å; Q25-W28 PolarHBondContact O-N 2.92Å; Q25-E29 PolarHBondContact NE2-OE1 2.88Å; Q25-E29 WeakPolarHBondContact O-CG 3.49Å; Q25-E29 PolarHBondContact O-N 3.49Å; Q25-Y84 VanDerWaalsContact CA-CE2 3.47Å; Q25-Y84 HydrophobicContact CB-CD2 4.4Å; Q25-Y84 HydrophobicContact CB-CE2 3.84Å; Q25-Y84 HydrophobicContact CG-CD2 4.29Å; Q25-Y84 HydrophobicContact CG-CE2 4.23Å
26H90Very high86.7Confident109 Ų10966.8 Ų66.851%0.50534%0.339SS..Hα-helixtrans-58.4-47.6176.7-178.465.1000112.3E22 E23 W28 E29 L30E22-H26 WeakPolarHBondContact O-CB 3.28Å; E22-H26 PolarHBondContact O-N 3.23Å; E23-H26 PolarHBondContact O-N 3.09Å; H26-W28 PolarHBondContact O-N 3.14Å; H26-E29 WeakPolarHBondContact O-CB 3.41Å; H26-E29 PolarHBondContact O-N 2.85Å; H26-L30 WeakPolarHBondContact O-CG 3.22Å; H26-L30 PolarHBondContact O-N 3.01Å
27R89.3Confident86.9Confident24 Ų2472.1 Ų72.19%0.09137%0.365CS..Hα-helixtrans-62.7-43.9177.1-66159-166.1-131.818111.2E23 M24 Q25 E29 L30 F31 L117 S118 L120E23-R27 WeakPolarHBondContact O-CB 3.46Å; E23-R27 VanDerWaalsContact O-CD 3.28Å; E23-R27 WeakPolarHBondContact O-CD 3.16Å; E23-R27 WeakPolarHBondContact O-CG 3.28Å; E23-R27 PolarHBondContact O-N 3.15Å; E23-R27 IonicContact OE2-CZ 3.95Å; E23-R27 IonicContact OE2-NH2 2.83Å; E23-R27 PolarHBondContact OE2-NH2 2.81Å; M24-R27 PolarHBondContact O-N 3.24Å; Q25-R27 PolarHBondContact O-N 2.91Å; R27-E29 VanDerWaalsContact C-N 3.28Å; R27-E29 PolarHBondContact O-N 3.19Å; R27-L30 WeakPolarHBondContact O-CB 3.29Å; R27-L30 PolarHBondContact O-N 3.22Å; R27-F31 WeakPolarHBondContact O-CD2 3.48Å; R27-F31 PolarHBondContact O-N 2.86Å; R27-F31 VanDerWaalsContact O-N 3.11Å; R27-L117 PolarHBondContact NH1-O 2.82Å; R27-S118 VanDerWaalsContact CZ-O 3.3Å; R27-S118 VanDerWaalsContact NH1-CA 3.3Å; R27-S118 PolarHBondContact NH1-O 2.63Å; R27-S118 PolarHBondContact NH2-O 3.06Å; R27-L120 WeakPolarHBondContact CD-O 3.42Å; R27-L120 PolarHBondContact NH1-O 3.4Å
28W91.4Very high87.5Confident15 Ų1569.8 Ų69.86%0.05737%0.365CS..Hα-helixtrans-58.2-40.8175.6178.997.5000111.7M24 Q25 H26 F31 T32 T40 M42 W50 L82 Y84 T87M24-W28 WeakPolarHBondContact O-CB 3.32Å; M24-W28 PolarHBondContact O-N 3.23Å; Q25-W28 WeakPolarHBondContact O-CB 3.17Å; Q25-W28 PolarHBondContact O-N 2.92Å; H26-W28 PolarHBondContact O-N 3.14Å; W28-F31 PolarHBondContact O-N 2.88Å; W28-T32 HydrophobicContact CH2-CG2 4.33Å; W28-T32 HydrophobicContact CZ3-CG2 4.43Å; W28-T32 VanDerWaalsContact O-CB 3.31Å; W28-T32 WeakPolarHBondContact O-CB 3.31Å; W28-T32 PolarHBondContact O-N 3.48Å; W28-T32 PolarHBondContact O-OG1 3.11Å; W28-T40 VanDerWaalsContact CH2-O 3.32Å; W28-T40 WeakPolarHBondContact CH2-O 3.33Å; W28-M42 HydrophobicContact CB-CE 4.3Å; W28-M42 HydrophobicContact CD2-CE 3.97Å; W28-M42 HydrophobicContact CG-CE 3.56Å; W28-M42 HydrophobicContact CZ2-CB 3.95Å; W28-M42 VanDerWaalsContact NE1-CE 3.26Å; W28-M42 VanDerWaalsContact O-CE 3.32Å; W28-M42 WeakPolarHBondContact O-CE 3.46Å; W28-W50 HydrophobicContact CB-CH2 4.37Å; W28-W50 AromaticContact CD1-CZ3 3.83Å; W28-L82 WeakPolarHBondContact CZ2-O 3.33Å; W28-Y84 HydrophobicContact CB-CD2 3.98Å; W28-Y84 HydrophobicContact CB-CE2 4.1Å; W28-Y84 AromaticContact CD2-CD2 3.8Å; W28-Y84 HydrophobicContact CD2-CD2 3.8Å; W28-Y84 HydrophobicContact CE3-CD2 4.16Å; W28-Y84 AromaticContact CG-CD2 3.68Å; W28-Y84 HydrophobicContact CG-CD2 3.68Å; W28-Y84 HydrophobicContact CG-CE2 4.26Å; W28-T87 PolarHBondContact NE1-OG1 2.79Å
29E91.8Very high88.3Confident60 Ų6066.1 Ų66.128%0.2835%0.347SS..Hα-helixtrans-64.5-41175.9-73.8179.2-168.100112.2Q25 H26 R27 F31 T32 R33Q25-E29 PolarHBondContact NE2-OE1 2.88Å; Q25-E29 WeakPolarHBondContact O-CG 3.49Å; Q25-E29 PolarHBondContact O-N 3.49Å; H26-E29 WeakPolarHBondContact O-CB 3.41Å; H26-E29 PolarHBondContact O-N 2.85Å; R27-E29 VanDerWaalsContact C-N 3.28Å; R27-E29 PolarHBondContact O-N 3.19Å; E29-F31 PolarHBondContact O-N 3.37Å; E29-T32 WeakPolarHBondContact O-CB 3.47Å; E29-T32 PolarHBondContact O-N 3.49Å; E29-R33 WeakPolarHBondContact O-CB 3.31Å; E29-R33 WeakPolarHBondContact O-CG 3.45Å; E29-R33 PolarHBondContact O-N 3.08Å
30L90.9Very high88.7Confident65 Ų6571 Ų7134%0.3438%0.379SS..Hα-helixtrans-60.1-43.7175.8-68.5174000112H26 R27 F34 E121H26-L30 WeakPolarHBondContact O-CG 3.22Å; H26-L30 PolarHBondContact O-N 3.01Å; R27-L30 WeakPolarHBondContact O-CB 3.29Å; R27-L30 PolarHBondContact O-N 3.22Å; L30-F34 PolarHBondContact O-N 3.39Å; L30-E121 WeakPolarHBondContact CD1-O 3.43Å
31F90.7Very high89.1Confident0 Ų070.3 Ų70.30%037%0.373CS..Hα-helixtrans-70.1-35.5174.8-81.2-82.7000112.4R27 W28 E29 F34 M42 N46 K49 W50 D53 L120 P123R27-F31 WeakPolarHBondContact O-CD2 3.48Å; R27-F31 PolarHBondContact O-N 2.86Å; R27-F31 VanDerWaalsContact O-N 3.11Å; W28-F31 PolarHBondContact O-N 2.88Å; E29-F31 PolarHBondContact O-N 3.37Å; F31-F34 VanDerWaalsContact O-CB 3.28Å; F31-F34 WeakPolarHBondContact O-CB 3.32Å; F31-F34 PolarHBondContact O-N 3.45Å; F31-M42 HydrophobicContact CB-CE 3.85Å; F31-N46 WeakPolarHBondContact O-CB 3.49Å; F31-N46 PolarHBondContact O-ND2 2.76Å; F31-K49 HydrophobicContact CE1-CG 4.18Å; F31-W50 HydrophobicContact CB-CB 4.33Å; F31-W50 HydrophobicContact CB-CG 4.47Å; F31-W50 HydrophobicContact CD1-CB 3.63Å; F31-W50 HydrophobicContact CD1-CG 4.15Å; F31-W50 HydrophobicContact CD2-CB 4.13Å; F31-W50 AromaticContact CD2-CD1 3.37Å; F31-W50 HydrophobicContact CD2-CD2 4.41Å; F31-W50 AromaticContact CD2-CG 3.73Å; F31-W50 HydrophobicContact CD2-CG 3.73Å; F31-W50 AromaticContact CD2-NE1 3.85Å; F31-W50 HydrophobicContact CE1-CB 3.96Å; F31-W50 HydrophobicContact CE1-CG 4.38Å; F31-W50 HydrophobicContact CE2-CB 4.45Å; F31-W50 AromaticContact CE2-CD1 3.27Å; F31-W50 HydrophobicContact CE2-CG 4.02Å; F31-W50 AromaticContact CE2-NE1 3.82Å; F31-W50 HydrophobicContact CG-CB 3.74Å; F31-W50 AromaticContact CG-CD1 3.92Å; F31-W50 AromaticContact CG-CG 3.83Å; F31-W50 HydrophobicContact CG-CG 3.83Å; F31-W50 HydrophobicContact CZ-CB 4.38Å; F31-W50 AromaticContact CZ-CD1 3.69Å; F31-W50 HydrophobicContact CZ-CG 4.34Å; F31-D53 HydrophobicContact CE1-CB 4.4Å; F31-D53 HydrophobicContact CZ-CB 4.26Å; F31-L120 HydrophobicContact CE2-CD2 3.69Å; F31-L120 HydrophobicContact CE2-CG 4.39Å; F31-L120 HydrophobicContact CZ-CD2 3.41Å; F31-L120 VanDerWaalsContact CZ-CD2 3.41Å; F31-L120 HydrophobicContact CZ-CG 4.3Å; F31-P123 HydrophobicContact CD1-CB 4.17Å; F31-P123 HydrophobicContact CE1-CB 3.72Å; F31-P123 VanDerWaalsContact CZ-CA 3.42Å; F31-P123 HydrophobicContact CZ-CB 3.98Å
32T92.2Very high89.5Confident2 Ų266.6 Ų66.61%0.01236%0.356CS..Hα-helixtrans-62.3-46.6176.7-65.90000111.2W28 E29 F34 A39 E41 M42 N46W28-T32 HydrophobicContact CH2-CG2 4.33Å; W28-T32 HydrophobicContact CZ3-CG2 4.43Å; W28-T32 VanDerWaalsContact O-CB 3.31Å; W28-T32 WeakPolarHBondContact O-CB 3.31Å; W28-T32 PolarHBondContact O-N 3.48Å; W28-T32 PolarHBondContact O-OG1 3.11Å; E29-T32 WeakPolarHBondContact O-CB 3.47Å; E29-T32 PolarHBondContact O-N 3.49Å; T32-F34 PolarHBondContact O-N 2.97Å; T32-A39 HydrophobicContact CG2-CB 4.04Å; T32-A39 WeakPolarHBondContact O-CB 3.5Å; T32-E41 VanDerWaalsContact CG2-C 3.45Å; T32-E41 WeakPolarHBondContact CG2-O 3.41Å; T32-M42 WeakPolarHBondContact OG1-CE 3.48Å; T32-N46 PolarHBondContact O-ND2 2.7Å
33R90.8Very high89.8Confident116 Ų11661.5 Ų61.544%0.43834%0.336SS..SBendtrans-77.4-6.4179.1-66.3-177.5-174.1169.48.2113.9E29 G35 N36 Q37E29-R33 WeakPolarHBondContact O-CB 3.31Å; E29-R33 WeakPolarHBondContact O-CG 3.45Å; E29-R33 PolarHBondContact O-N 3.08Å; R33-G35 PolarHBondContact O-N 3.1Å; R33-G35 VanDerWaalsContact O-N 3.1Å; R33-N36 CarbonylContact C-O 3.55Å; R33-N36 VanDerWaalsContact CA-O 3.31Å; R33-N36 WeakPolarHBondContact CA-O 3.17Å; R33-N36 CarbonylContact O-C 3.6Å; R33-N36 PolarHBondContact O-N 3.18Å; R33-N36 VanDerWaalsContact O-N 3.08Å; R33-Q37 PolarHBondContact O-NE2 3.17Å; R33-Q37 VanDerWaalsContact O-NE2 3.11Å
34F87.8Confident90Very high70 Ų7058.5 Ų58.531%0.30733%0.329SS..THydrogen-bonded Turntrans-63.2114.7179.3-170.3-101.8000110.9L30 F31 T32 N36 N46 K49 P123 V125L30-F34 PolarHBondContact O-N 3.39Å; F31-F34 VanDerWaalsContact O-CB 3.28Å; F31-F34 WeakPolarHBondContact O-CB 3.32Å; F31-F34 PolarHBondContact O-N 3.45Å; T32-F34 PolarHBondContact O-N 2.97Å; F34-N36 VanDerWaalsContact C-N 3.26Å; F34-N36 PolarHBondContact O-N 3.11Å; F34-N46 PolarHBondContact O-ND2 2.84Å; F34-K49 HydrophobicContact CD1-CD 3.66Å; F34-K49 HydrophobicContact CE1-CD 3.5Å; F34-K49 VanDerWaalsContact CE1-CD 3.5Å; F34-K49 HydrophobicContact CG-CD 4.44Å; F34-K49 HydrophobicContact CZ-CD 4.17Å; F34-K49 VanDerWaalsContact CZ-CE 3.47Å; F34-P123 HydrophobicContact CD2-CB 3.51Å; F34-P123 HydrophobicContact CD2-CG 3.5Å; F34-P123 HydrophobicContact CE2-CB 3.78Å; F34-P123 HydrophobicContact CE2-CG 4.05Å; F34-P123 HydrophobicContact CG-CB 4.07Å; F34-P123 HydrophobicContact CG-CG 4.27Å; F34-V125 HydrophobicContact CE2-CG2 4.44Å
35G84.4Confident90Very high82 Ų8266.3 Ų66.385%0.84536%0.363SS*.THydrogen-bonded Turntrans80.4-8.7-176.500000115.6R33R33-G35 PolarHBondContact O-N 3.1Å; R33-G35 VanDerWaalsContact O-N 3.1Å
36N87.8Confident90.1Very high91 Ų9163.1 Ų63.149%0.48735%0.349SS..  trans-151.798.3172.2-179.46.2000110.4R33 F34 A38 A39R33-N36 CarbonylContact C-O 3.55Å; R33-N36 VanDerWaalsContact CA-O 3.31Å; R33-N36 WeakPolarHBondContact CA-O 3.17Å; R33-N36 CarbonylContact O-C 3.6Å; R33-N36 PolarHBondContact O-N 3.18Å; R33-N36 VanDerWaalsContact O-N 3.08Å; F34-N36 VanDerWaalsContact C-N 3.26Å; F34-N36 PolarHBondContact O-N 3.11Å; N36-A38 PolarHBondContact O-N 2.84Å; N36-A38 VanDerWaalsContact O-N 3.14Å; N36-A38 PolarHBondContact OD1-N 3.24Å; N36-A39 HydrophobicContact CB-CB 4.19Å; N36-A39 VanDerWaalsContact O-CB 3.29Å; N36-A39 WeakPolarHBondContact O-CB 3.45Å; N36-A39 PolarHBondContact O-N 3.23Å
37Q87.3Confident90.2Very high149 Ų14958 Ų5870%0.69633%0.325SS*.THydrogen-bonded Turntrans-62.8-22.3-175.5-65.9-63.9-62.100114.1R33 A39R33-Q37 PolarHBondContact O-NE2 3.17Å; R33-Q37 VanDerWaalsContact O-NE2 3.11Å; Q37-A39 VanDerWaalsContact C-N 3.35Å
38A89.5Confident90.2Very high86 Ų8658.2 Ų58.271%0.71133%0.328SS*.THydrogen-bonded Turntrans-87.8-0.5178.600000113.6N36 T40N36-A38 PolarHBondContact O-N 2.84Å; N36-A38 VanDerWaalsContact O-N 3.14Å; N36-A38 PolarHBondContact OD1-N 3.24Å; A38-T40 PolarHBondContact O-N 3.33Å
39A89.2Confident90Very high17 Ų1758.7 Ų58.714%0.1433%0.33CS..  trans-70.4130.8-178.600000111.7T32 N36 Q37T32-A39 HydrophobicContact CG2-CB 4.04Å; T32-A39 WeakPolarHBondContact O-CB 3.5Å; N36-A39 HydrophobicContact CB-CB 4.19Å; N36-A39 VanDerWaalsContact O-CB 3.29Å; N36-A39 WeakPolarHBondContact O-CB 3.45Å; N36-A39 PolarHBondContact O-N 3.23Å; Q37-A39 VanDerWaalsContact C-N 3.35Å
40T90.7Very high90Very high119 Ų11955.9 Ų55.973%0.7332%0.317SS*.  trans-105.1-14.5173.353.90000112.9W28 A38W28-T40 VanDerWaalsContact CH2-O 3.32Å; W28-T40 WeakPolarHBondContact CH2-O 3.33Å; A38-T40 PolarHBondContact O-N 3.33Å
41E92.5Very high89.9Confident59 Ų5952.8 Ų52.828%0.27630%0.301SS..SBendtrans-128.4144.5179.7-61.6-173.2138.600110.6T32 R79 T81 L82T32-E41 VanDerWaalsContact CG2-C 3.45Å; T32-E41 WeakPolarHBondContact CG2-O 3.41Å; E41-R79 IonicContact OE1-CZ 3.16Å; E41-R79 IonicContact OE1-NH2 2.86Å; E41-R79 PolarHBondContact OE1-NH2 2.66Å; E41-T81 HydrophobicContact CB-CG2 4.31Å; E41-T81 VanDerWaalsContact OE2-CB 3.25Å; E41-T81 WeakPolarHBondContact OE2-CB 3.22Å; E41-T81 PolarHBondContact OE2-OG1 3.47Å; E41-L82 CarbonylContact C-O 3.57Å; E41-L82 WeakPolarHBondContact CA-O 3.37Å; E41-L82 WeakPolarHBondContact CB-O 3.46Å
42M92.5Very high89.8Confident0 Ų057.6 Ų57.60%032%0.322CS..EExtended strand (participates in β ladder)trans-81.9125.7-174-169.8177.6-69.600111.6W28 F31 T32 N46 F47 W50 T81 L82W28-M42 HydrophobicContact CB-CE 4.3Å; W28-M42 HydrophobicContact CD2-CE 3.97Å; W28-M42 HydrophobicContact CG-CE 3.56Å; W28-M42 HydrophobicContact CZ2-CB 3.95Å; W28-M42 VanDerWaalsContact NE1-CE 3.26Å; W28-M42 VanDerWaalsContact O-CE 3.32Å; W28-M42 WeakPolarHBondContact O-CE 3.46Å; F31-M42 HydrophobicContact CB-CE 3.85Å; T32-M42 WeakPolarHBondContact OG1-CE 3.48Å; M42-N46 HydrophobicContact CG-CB 3.95Å; M42-F47 HydrophobicContact CG-CB 4.25Å; M42-F47 VanDerWaalsContact SD-CA 3.58Å; M42-F47 HydrophobicContact SD-CB 3.73Å; M42-F47 HydrophobicContact SD-CD2 3.84Å; M42-F47 HydrophobicContact SD-CG 4.31Å; M42-W50 HydrophobicContact CE-CE3 4.05Å; M42-W50 HydrophobicContact CE-CZ3 4.4Å; M42-W50 HydrophobicContact SD-CE3 4.14Å; M42-T81 CarbonylContact O-C 3.6Å; M42-T81 WeakPolarHBondContact O-CA 3.33Å; M42-L82 PolarHBondContact N-O 2.77Å; M42-L82 PolarHBondContact O-N 2.97Å
43T92.6Very high89.5Confident54 Ų5459.7 Ų59.733%0.33133%0.333SS..EExtended strand (participates in β ladder)trans-74.8155.6172.469.40000111.7K45 N46 F47 T81T43-K45 PolarHBondContact O-N 3.46Å; T43-K45 VanDerWaalsContact O-N 3.15Å; T43-N46 PolarHBondContact O-N 2.68Å; T43-N46 PolarHBondContact OG1-N 3.46Å; T43-F47 PolarHBondContact O-N 3.01Å; T43-T81 HydrophobicContact CG2-CG2 4Å
44G90.9Very high89.4Confident27 Ų2754.7 Ų54.728%0.27832%0.317SS..Hα-helixtrans-58.5-29.4176.700000114.1D48 F71G44-D48 WeakPolarHBondContact O-CB 3.08Å; G44-D48 PolarHBondContact O-N 2.92Å; G44-F71 VanDerWaalsContact CA-CZ 3.4Å
45K89.2Confident89.2Confident165 Ų16553.4 Ų53.472%0.71732%0.323SS*.Hα-helixtrans-67.6-43.4174-176.6-176175-1730111.7T43 K49T43-K45 PolarHBondContact O-N 3.46Å; T43-K45 VanDerWaalsContact O-N 3.15Å; K45-K49 WeakPolarHBondContact O-CB 3.41Å; K45-K49 PolarHBondContact O-N 3.31Å
46N91.4Very high89.3Confident16 Ų1650.1 Ų50.19%0.08629%0.287CS..Hα-helixtrans-70.8-36.1179.6-705.7000111F31 T32 F34 M42 T43 K49 W50F31-N46 WeakPolarHBondContact O-CB 3.49Å; F31-N46 PolarHBondContact O-ND2 2.76Å; T32-N46 PolarHBondContact O-ND2 2.7Å; F34-N46 PolarHBondContact O-ND2 2.84Å; M42-N46 HydrophobicContact CG-CB 3.95Å; T43-N46 PolarHBondContact O-N 2.68Å; T43-N46 PolarHBondContact OG1-N 3.46Å; N46-K49 WeakPolarHBondContact O-CB 3.43Å; N46-K49 PolarHBondContact O-N 3.49Å; N46-W50 PolarHBondContact O-N 3.34Å
47F91.9Very high89.1Confident2 Ų247.4 Ų47.41%0.00927%0.272CS..Hα-helixtrans-62.4-47.9172.4-176.4-106.9000112.3M42 T43 K49 W50 L51 F71 T87 V90 L91M42-F47 HydrophobicContact CG-CB 4.25Å; M42-F47 VanDerWaalsContact SD-CA 3.58Å; M42-F47 HydrophobicContact SD-CB 3.73Å; M42-F47 HydrophobicContact SD-CD2 3.84Å; M42-F47 HydrophobicContact SD-CG 4.31Å; T43-F47 PolarHBondContact O-N 3.01Å; F47-K49 VanDerWaalsContact C-N 3.29Å; F47-K49 PolarHBondContact O-N 3.22Å; F47-W50 HydrophobicContact CD2-CE3 4.09Å; F47-W50 HydrophobicContact CE2-CE3 4.25Å; F47-W50 HydrophobicContact CE2-CZ3 4.43Å; F47-W50 WeakPolarHBondContact O-CB 3.44Å; F47-W50 PolarHBondContact O-N 2.59Å; F47-W50 VanDerWaalsContact O-N 3.13Å; F47-L51 HydrophobicContact CD1-CD1 4.12Å; F47-L51 HydrophobicContact CE1-CD1 3.49Å; F47-L51 VanDerWaalsContact CE1-CD1 3.49Å; F47-L51 HydrophobicContact CE1-CG 4.22Å; F47-L51 HydrophobicContact CE2-CD1 4.47Å; F47-L51 HydrophobicContact CE2-CG 4.47Å; F47-L51 HydrophobicContact CZ-CD1 3.69Å; F47-L51 HydrophobicContact CZ-CD2 4.33Å; F47-L51 HydrophobicContact CZ-CG 4.14Å; F47-L51 PolarHBondContact O-N 2.88Å; F47-F71 HydrophobicContact CB-CD2 4.01Å; F47-F71 HydrophobicContact CB-CE2 4.03Å; F47-F71 AromaticContact CD1-CD2 3.84Å; F47-F71 HydrophobicContact CD1-CD2 3.84Å; F47-F71 AromaticContact CG-CD2 4Å; F47-F71 HydrophobicContact CG-CD2 4Å; F47-F71 HydrophobicContact CG-CE2 4.42Å; F47-T87 HydrophobicContact CD2-CG2 3.98Å; F47-T87 HydrophobicContact CE2-CG2 3.74Å; F47-V90 HydrophobicContact CE1-CG1 3.58Å; F47-V90 HydrophobicContact CE2-CG1 4.31Å; F47-V90 HydrophobicContact CZ-CB 4.22Å; F47-V90 HydrophobicContact CZ-CG1 3.42Å; F47-V90 VanDerWaalsContact CZ-CG1 3.42Å; F47-L91 HydrophobicContact CE2-CD2 4.23Å; F47-L91 HydrophobicContact CZ-CD2 4.15Å
48D88.9Confident88.6Confident28 Ų2844.1 Ų44.115%0.1526%0.259CS..Hα-helixtrans-63.1-36.3175.5-179.968.8000111.7G44 K52 L57 T64G44-D48 WeakPolarHBondContact O-CB 3.08Å; G44-D48 PolarHBondContact O-N 2.92Å; D48-K52 WeakPolarHBondContact O-CB 3.25Å; D48-K52 VanDerWaalsContact O-CG 3.22Å; D48-K52 WeakPolarHBondContact O-CG 3.49Å; D48-K52 PolarHBondContact O-N 3.1Å; D48-K52 IonicContact OD1-NZ 2.86Å; D48-K52 WeakPolarHBondContact OD2-CE 3.39Å; D48-K52 IonicContact OD2-NZ 3.86Å; D48-K52 PolarHBondContact OD2-NZ 3.37Å; D48-L57 WeakPolarHBondContact OD1-CD1 3.37Å; D48-T64 VanDerWaalsContact OD1-CG2 3.31Å; D48-T64 WeakPolarHBondContact OD1-CG2 3.46Å; D48-T64 PolarHBondContact OD1-OG1 2.98Å; D48-T64 VanDerWaalsContact OD1-OG1 3.12Å
49K88.1Confident87.7Confident24 Ų2446.3 Ų46.310%0.10426%0.264CS..Hα-helixtrans-62.3-43.7171.4-175.4180165.254.50111.7F31 F34 K45 N46 F47 L51 K52 D53 T124F31-K49 HydrophobicContact CE1-CG 4.18Å; F34-K49 HydrophobicContact CD1-CD 3.66Å; F34-K49 HydrophobicContact CE1-CD 3.5Å; F34-K49 VanDerWaalsContact CE1-CD 3.5Å; F34-K49 HydrophobicContact CG-CD 4.44Å; F34-K49 HydrophobicContact CZ-CD 4.17Å; F34-K49 VanDerWaalsContact CZ-CE 3.47Å; K45-K49 WeakPolarHBondContact O-CB 3.41Å; K45-K49 PolarHBondContact O-N 3.31Å; N46-K49 WeakPolarHBondContact O-CB 3.43Å; N46-K49 PolarHBondContact O-N 3.49Å; F47-K49 VanDerWaalsContact C-N 3.29Å; F47-K49 PolarHBondContact O-N 3.22Å; K49-L51 PolarHBondContact O-N 2.87Å; K49-K52 PolarHBondContact O-N 3.13Å; K49-D53 WeakPolarHBondContact CE-OD2 3.41Å; K49-D53 IonicContact NZ-OD1 2.75Å; K49-D53 IonicContact NZ-OD2 3.74Å; K49-D53 PolarHBondContact NZ-OD2 3.15Å; K49-D53 WeakPolarHBondContact O-CB 3.21Å; K49-D53 PolarHBondContact O-N 3.46Å; K49-T124 PolarHBondContact NZ-O 3.17Å
50W90.4Very high86.9Confident1 Ų154 Ų540%0.00429%0.294CS..Hα-helixtrans-60.3-47.1179-17425000111.9W19 W28 F31 M42 N46 F47 K52 D53 A54 T87 L117W19-W50 HydrophobicContact CH2-CH2 4Å; W28-W50 HydrophobicContact CB-CH2 4.37Å; W28-W50 AromaticContact CD1-CZ3 3.83Å; F31-W50 HydrophobicContact CB-CB 4.33Å; F31-W50 HydrophobicContact CB-CG 4.47Å; F31-W50 HydrophobicContact CD1-CB 3.63Å; F31-W50 HydrophobicContact CD1-CG 4.15Å; F31-W50 HydrophobicContact CD2-CB 4.13Å; F31-W50 AromaticContact CD2-CD1 3.37Å; F31-W50 HydrophobicContact CD2-CD2 4.41Å; F31-W50 AromaticContact CD2-CG 3.73Å; F31-W50 HydrophobicContact CD2-CG 3.73Å; F31-W50 AromaticContact CD2-NE1 3.85Å; F31-W50 HydrophobicContact CE1-CB 3.96Å; F31-W50 HydrophobicContact CE1-CG 4.38Å; F31-W50 HydrophobicContact CE2-CB 4.45Å; F31-W50 AromaticContact CE2-CD1 3.27Å; F31-W50 HydrophobicContact CE2-CG 4.02Å; F31-W50 AromaticContact CE2-NE1 3.82Å; F31-W50 HydrophobicContact CG-CB 3.74Å; F31-W50 AromaticContact CG-CD1 3.92Å; F31-W50 AromaticContact CG-CG 3.83Å; F31-W50 HydrophobicContact CG-CG 3.83Å; F31-W50 HydrophobicContact CZ-CB 4.38Å; F31-W50 AromaticContact CZ-CD1 3.69Å; F31-W50 HydrophobicContact CZ-CG 4.34Å; M42-W50 HydrophobicContact CE-CE3 4.05Å; M42-W50 HydrophobicContact CE-CZ3 4.4Å; M42-W50 HydrophobicContact SD-CE3 4.14Å; N46-W50 PolarHBondContact O-N 3.34Å; F47-W50 HydrophobicContact CD2-CE3 4.09Å; F47-W50 HydrophobicContact CE2-CE3 4.25Å; F47-W50 HydrophobicContact CE2-CZ3 4.43Å; F47-W50 WeakPolarHBondContact O-CB 3.44Å; F47-W50 PolarHBondContact O-N 2.59Å; F47-W50 VanDerWaalsContact O-N 3.13Å; W50-K52 VanDerWaalsContact C-N 3.34Å; W50-K52 PolarHBondContact O-N 3.02Å; W50-D53 PolarHBondContact O-N 3.21Å; W50-A54 VanDerWaalsContact O-CB 3.26Å; W50-A54 WeakPolarHBondContact O-CB 3.46Å; W50-A54 PolarHBondContact O-N 2.92Å; W50-T87 HydrophobicContact CE3-CG2 4.49Å; W50-T87 HydrophobicContact CZ3-CG2 3.7Å; W50-L117 HydrophobicContact CD2-CD2 3.95Å; W50-L117 HydrophobicContact CG-CD2 4.17Å; W50-L117 HydrophobicContact CH2-CD1 4.38Å; W50-L117 HydrophobicContact CZ2-CB 4.36Å; W50-L117 HydrophobicContact CZ2-CD1 4.23Å; W50-L117 HydrophobicContact CZ2-CD2 4Å; W50-L117 HydrophobicContact CZ2-CG 4.42Å
51L89.9Confident86.4Confident1 Ų148.6 Ų48.61%0.00526%0.262CS..Hα-helixtrans-66.8-33.9177.3-63.1-175.2000113.1F47 K49 G55 V56 L57 T67 L91 L117F47-L51 HydrophobicContact CD1-CD1 4.12Å; F47-L51 HydrophobicContact CE1-CD1 3.49Å; F47-L51 VanDerWaalsContact CE1-CD1 3.49Å; F47-L51 HydrophobicContact CE1-CG 4.22Å; F47-L51 HydrophobicContact CE2-CD1 4.47Å; F47-L51 HydrophobicContact CE2-CG 4.47Å; F47-L51 HydrophobicContact CZ-CD1 3.69Å; F47-L51 HydrophobicContact CZ-CD2 4.33Å; F47-L51 HydrophobicContact CZ-CG 4.14Å; F47-L51 PolarHBondContact O-N 2.88Å; K49-L51 PolarHBondContact O-N 2.87Å; L51-G55 PolarHBondContact O-N 2.75Å; L51-V56 HydrophobicContact CB-CB 4.31Å; L51-V56 HydrophobicContact CD2-CB 4.23Å; L51-V56 HydrophobicContact CD2-CG1 4.19Å; L51-V56 HydrophobicContact CD2-CG2 4.36Å; L51-V56 WeakPolarHBondContact O-CB 3.47Å; L51-V56 PolarHBondContact O-N 2.96Å; L51-L57 HydrophobicContact CB-CD2 4.05Å; L51-L57 HydrophobicContact CB-CG 4.09Å; L51-L57 HydrophobicContact CD1-CD2 4.35Å; L51-L57 PolarHBondContact O-N 3.06Å; L51-T67 HydrophobicContact CD1-CG2 3.39Å; L51-L91 HydrophobicContact CD2-CD2 4.11Å; L51-L117 HydrophobicContact CD2-CD2 4.05Å
52K87.4Confident86Confident100 Ų10046.2 Ų46.244%0.43525%0.251SS..Hα-helixtrans-67.6-51.4174.7-80172.2177.2169.80112D48 K49 W50 A54 G55 L57D48-K52 WeakPolarHBondContact O-CB 3.25Å; D48-K52 VanDerWaalsContact O-CG 3.22Å; D48-K52 WeakPolarHBondContact O-CG 3.49Å; D48-K52 PolarHBondContact O-N 3.1Å; D48-K52 IonicContact OD1-NZ 2.86Å; D48-K52 WeakPolarHBondContact OD2-CE 3.39Å; D48-K52 IonicContact OD2-NZ 3.86Å; D48-K52 PolarHBondContact OD2-NZ 3.37Å; K49-K52 PolarHBondContact O-N 3.13Å; W50-K52 VanDerWaalsContact C-N 3.34Å; W50-K52 PolarHBondContact O-N 3.02Å; K52-A54 PolarHBondContact O-N 3.25Å; K52-G55 PolarHBondContact O-N 3.42Å; K52-L57 HydrophobicContact CD-CD1 4.11Å; K52-L57 HydrophobicContact CG-CD1 3.37Å; K52-L57 HydrophobicContact CG-CG 4.05Å
53D87.1Confident85.8Confident46 Ų4648.5 Ų48.525%0.24627%0.265CS..Hα-helixtrans-64.7-32-178-71.15.6000110.4F31 K49 W50 G55 L120 T124F31-D53 HydrophobicContact CE1-CB 4.4Å; F31-D53 HydrophobicContact CZ-CB 4.26Å; K49-D53 WeakPolarHBondContact CE-OD2 3.41Å; K49-D53 IonicContact NZ-OD1 2.75Å; K49-D53 IonicContact NZ-OD2 3.74Å; K49-D53 PolarHBondContact NZ-OD2 3.15Å; K49-D53 WeakPolarHBondContact O-CB 3.21Å; K49-D53 PolarHBondContact O-N 3.46Å; W50-D53 PolarHBondContact O-N 3.21Å; D53-G55 VanDerWaalsContact C-N 3.26Å; D53-G55 PolarHBondContact O-N 2.82Å; D53-L120 HydrophobicContact CB-CD1 4.21Å; D53-L120 HydrophobicContact CB-CD2 3.65Å; D53-T124 PolarHBondContact OD2-N 3.12Å
54A87.5Confident85.6Confident11 Ų1149 Ų499%0.09127%0.268CS..THydrogen-bonded Turntrans-75.5-9.6173.700000114.2W50 K52 V56 L117 L120W50-A54 VanDerWaalsContact O-CB 3.26Å; W50-A54 WeakPolarHBondContact O-CB 3.46Å; W50-A54 PolarHBondContact O-N 2.92Å; K52-A54 PolarHBondContact O-N 3.25Å; A54-V56 HydrophobicContact CB-CG2 3.89Å; A54-V56 PolarHBondContact O-N 2.99Å; A54-L117 HydrophobicContact CB-CD2 3.57Å; A54-L117 HydrophobicContact CB-CG 4.36Å; A54-L120 HydrophobicContact CB-CD2 4.14Å
55G84.5Confident85.5Confident43 Ų4352.4 Ų52.444%0.44328%0.283SS..THydrogen-bonded Turntrans67.724.2-175.100000113.7L51 K52 D53L51-G55 PolarHBondContact O-N 2.75Å; K52-G55 PolarHBondContact O-N 3.42Å; D53-G55 VanDerWaalsContact C-N 3.26Å; D53-G55 PolarHBondContact O-N 2.82Å
56V86.4Confident85.5Confident13 Ų1345.3 Ų45.38%0.07925%0.253CS..  trans-74.5-33.9174.8175.50000110.5L51 A54 D58 I62 I113 R116 L117L51-V56 HydrophobicContact CB-CB 4.31Å; L51-V56 HydrophobicContact CD2-CB 4.23Å; L51-V56 HydrophobicContact CD2-CG1 4.19Å; L51-V56 HydrophobicContact CD2-CG2 4.36Å; L51-V56 WeakPolarHBondContact O-CB 3.47Å; L51-V56 PolarHBondContact O-N 2.96Å; A54-V56 HydrophobicContact CB-CG2 3.89Å; A54-V56 PolarHBondContact O-N 2.99Å; V56-D58 PolarHBondContact O-N 2.91Å; V56-I62 HydrophobicContact CG1-CD1 3.58Å; V56-I113 HydrophobicContact CG1-CG1 3.97Å; V56-I113 HydrophobicContact CG1-CG2 4.11Å; V56-I113 HydrophobicContact CG2-CG2 4.24Å; V56-R116 HydrophobicContact CG2-CB 3.67Å; V56-L117 HydrophobicContact CG2-CD2 4.24Å; V56-L117 HydrophobicContact CG2-CG 4.27Å
57L83.3Confident85.4Confident35 Ų3544.7 Ų44.718%0.18325%0.25CC..BIsolated β-bridgetrans-72.9125.3175.4-60.8-164000110.8D48 L51 K52 I62 T64 T67D48-L57 WeakPolarHBondContact OD1-CD1 3.37Å; L51-L57 HydrophobicContact CB-CD2 4.05Å; L51-L57 HydrophobicContact CB-CG 4.09Å; L51-L57 HydrophobicContact CD1-CD2 4.35Å; L51-L57 PolarHBondContact O-N 3.06Å; K52-L57 HydrophobicContact CD-CD1 4.11Å; K52-L57 HydrophobicContact CG-CD1 3.37Å; K52-L57 HydrophobicContact CG-CG 4.05Å; L57-I62 WeakPolarHBondContact CA-O 3.33Å; L57-I62 HydrophobicContact CD2-CB 4.47Å; L57-I62 HydrophobicContact CD2-CG2 3.8Å; L57-I62 WeakPolarHBondContact CD2-O 3.34Å; L57-T64 WeakPolarHBondContact CD1-OG1 3.49Å; L57-T67 HydrophobicContact CD2-CG2 3.81Å
58D75.8Confident85.4Confident80 Ų8046.1 Ų46.143%0.42827%0.266SS..  trans-129.9143.5171.816832.9000109.1V56 K60 G61 I62V56-D58 PolarHBondContact O-N 2.91Å; D58-K60 PolarHBondContact O-N 3.34Å; D58-K60 PolarHBondContact OD1-N 3.36Å; D58-G61 WeakPolarHBondContact O-CA 3.48Å; D58-G61 PolarHBondContact O-N 3.21Å; D58-I62 PolarHBondContact N-O 2.82Å
59T72.3Confident85.5Confident131 Ų13149 Ų4980%0.80428%0.28SS*.THydrogen-bonded Turntrans-55.8-33179.656.10000113.5
60K72.3Confident85.7Confident180 Ų18048.2 Ų48.278%0.78328%0.278SS*.THydrogen-bonded Turntrans-100.21.8175.7-60.4-179.4-178.61790112.3D58 R98D58-K60 PolarHBondContact O-N 3.34Å; D58-K60 PolarHBondContact OD1-N 3.36Å; K60-R98 PolarHBondContact O-NH1 3.06Å
61G79.6Confident85.8Confident5 Ų548.9 Ų48.95%0.05228%0.281CS..SBendtrans-106.1-123.9-153.100000113.1D58 R98D58-G61 WeakPolarHBondContact O-CA 3.48Å; D58-G61 PolarHBondContact O-N 3.21Å; G61-R98 VanDerWaalsContact CA-CZ 3.41Å; G61-R98 PolarHBondContact O-NH1 2.92Å
62I85.1Confident85.9Confident9 Ų952.2 Ų52.25%0.04630%0.304CS..BIsolated β-bridgetrans-87.1113.1161.7-63.5164000106.3V56 L57 D58 T67 V94 R98 I113V56-I62 HydrophobicContact CG1-CD1 3.58Å; L57-I62 WeakPolarHBondContact CA-O 3.33Å; L57-I62 HydrophobicContact CD2-CB 4.47Å; L57-I62 HydrophobicContact CD2-CG2 3.8Å; L57-I62 WeakPolarHBondContact CD2-O 3.34Å; D58-I62 PolarHBondContact N-O 2.82Å; I62-T67 HydrophobicContact CG2-CG2 3.32Å; I62-V94 HydrophobicContact CB-CG1 4.48Å; I62-V94 HydrophobicContact CD1-CG1 3.96Å; I62-V94 HydrophobicContact CG1-CG1 4.09Å; I62-V94 HydrophobicContact CG2-CG1 3.56Å; I62-R98 HydrophobicContact CG1-CB 4.27Å; I62-R98 HydrophobicContact CG1-CG 4.2Å; I62-I113 HydrophobicContact CD1-CD1 3.73Å; I62-I113 HydrophobicContact CD1-CG1 3.81Å
63T87.9Confident86Confident48 Ų4854.3 Ų54.329%0.29431%0.313SS..  trans-91.2155.5178.563.70000110.9T65 M66 T67T63-T65 PolarHBondContact O-N 3.46Å; T63-T65 VanDerWaalsContact O-N 3.12Å; T63-M66 HydrophobicContact CG2-SD 4.35Å; T63-M66 WeakPolarHBondContact O-CB 3.49Å; T63-M66 PolarHBondContact O-N 2.85Å; T63-M66 VanDerWaalsContact OG1-CG 3.32Å; T63-M66 WeakPolarHBondContact OG1-CG 3.28Å; T63-M66 PolarHBondContact OG1-N 3.02Å; T63-T67 PolarHBondContact O-N 3.34Å; T63-T67 VanDerWaalsContact O-N 3.15Å; T63-T67 PolarHBondContact O-OG1 3.26Å
64T88.3Confident86.2Confident64 Ų6453.3 Ų53.339%0.39331%0.309SS..Hα-helixtrans-54.8-30.1172.6-65.20000112.3D48 L57 T67 G68D48-T64 VanDerWaalsContact OD1-CG2 3.31Å; D48-T64 WeakPolarHBondContact OD1-CG2 3.46Å; D48-T64 PolarHBondContact OD1-OG1 2.98Å; D48-T64 VanDerWaalsContact OD1-OG1 3.12Å; L57-T64 WeakPolarHBondContact CD1-OG1 3.49Å; T64-T67 WeakPolarHBondContact CA-OG1 3.28Å; T64-T67 PolarHBondContact O-OG1 3.41Å; T64-T67 VanDerWaalsContact O-OG1 3.06Å; T64-G68 PolarHBondContact O-N 3.38Å
65T89Confident86.3Confident98 Ų9853.2 Ų53.260%0.60131%0.308SS*.Hα-helixtrans-66.9-44.3175.4-52.50000111.6T63 G68 I69T63-T65 PolarHBondContact O-N 3.46Å; T63-T65 VanDerWaalsContact O-N 3.12Å; T65-G68 PolarHBondContact O-N 3.28Å; T65-I69 HydrophobicContact CG2-CD1 3.94Å; T65-I69 VanDerWaalsContact O-CG1 3.25Å; T65-I69 WeakPolarHBondContact O-CG1 3.26Å; T65-I69 PolarHBondContact O-N 3.22Å
66M88.2Confident86.5Confident17 Ų1752.5 Ų52.58%0.08430%0.3CS..Hα-helixtrans-62-46.9178.6-69.7162.164.300111T63 I69 A70 D97 R98 K101T63-M66 HydrophobicContact CG2-SD 4.35Å; T63-M66 WeakPolarHBondContact O-CB 3.49Å; T63-M66 PolarHBondContact O-N 2.85Å; T63-M66 VanDerWaalsContact OG1-CG 3.32Å; T63-M66 WeakPolarHBondContact OG1-CG 3.28Å; T63-M66 PolarHBondContact OG1-N 3.02Å; M66-I69 PolarHBondContact O-N 2.96Å; M66-A70 PolarHBondContact O-N 3.34Å; M66-D97 HydrophobicContact CE-CB 4.2Å; M66-D97 WeakPolarHBondContact CE-OD2 3.22Å; M66-D97 WeakPolarHBondContact CG-OD2 3.37Å; M66-R98 HydrophobicContact CE-CB 4.41Å; M66-K101 HydrophobicContact CE-CD 4.31Å; M66-K101 PolarHBondContact SD-NZ 2.9Å
67T90.4Very high86.3Confident2 Ų258.4 Ų58.41%0.01234%0.339CS..Hα-helixtrans-67.7-39.1-179.958.30000111.6L51 L57 I62 T63 T64 A70 F71 V94L51-T67 HydrophobicContact CD1-CG2 3.39Å; L57-T67 HydrophobicContact CD2-CG2 3.81Å; I62-T67 HydrophobicContact CG2-CG2 3.32Å; T63-T67 PolarHBondContact O-N 3.34Å; T63-T67 VanDerWaalsContact O-N 3.15Å; T63-T67 PolarHBondContact O-OG1 3.26Å; T64-T67 WeakPolarHBondContact CA-OG1 3.28Å; T64-T67 PolarHBondContact O-OG1 3.41Å; T64-T67 VanDerWaalsContact O-OG1 3.06Å; T67-A70 PolarHBondContact O-N 3.19Å; T67-F71 VanDerWaalsContact O-CB 3.28Å; T67-F71 WeakPolarHBondContact O-CB 3.4Å; T67-F71 PolarHBondContact O-N 3.2Å; T67-V94 HydrophobicContact CG2-CG1 4.16Å; T67-V94 HydrophobicContact CG2-CG2 4Å
68G90.8Very high86.3Confident33 Ų3368 Ų6834%0.3437%0.373SS..Hα-helixtrans-63.7-38.617500000113.5T64 T65 S72T64-G68 PolarHBondContact O-N 3.38Å; T65-G68 PolarHBondContact O-N 3.28Å; G68-S72 WeakPolarHBondContact O-CB 3.16Å; G68-S72 PolarHBondContact O-N 3.37Å; G68-S72 PolarHBondContact O-OG 3.36Å
69I91.4Very high86.8Confident88 Ų8868.7 Ų68.745%0.45137%0.37SS..Hα-helixtrans-67.2-46.4174-68.6166.6000110.2T65 M66 F71 S72 K73T65-I69 HydrophobicContact CG2-CD1 3.94Å; T65-I69 VanDerWaalsContact O-CG1 3.25Å; T65-I69 WeakPolarHBondContact O-CG1 3.26Å; T65-I69 PolarHBondContact O-N 3.22Å; M66-I69 PolarHBondContact O-N 2.96Å; I69-F71 PolarHBondContact O-N 3.38Å; I69-S72 PolarHBondContact O-N 3.45Å; I69-K73 HydrophobicContact CG2-CD 4.08Å; I69-K73 HydrophobicContact CG2-CG 4.36Å; I69-K73 WeakPolarHBondContact O-CB 3.47Å; I69-K73 WeakPolarHBondContact O-CG 3.5Å; I69-K73 PolarHBondContact O-N 2.97Å
70A91.2Very high87.4Confident7 Ų770.7 Ų70.76%0.05837%0.367CS..Hα-helixtrans-60.6-44.617800000111.8M66 T67 S72 K73 V74 V90 K93 V94M66-A70 PolarHBondContact O-N 3.34Å; T67-A70 PolarHBondContact O-N 3.19Å; A70-S72 PolarHBondContact O-N 2.68Å; A70-K73 PolarHBondContact O-N 2.89Å; A70-V74 PolarHBondContact O-N 3.4Å; A70-V74 VanDerWaalsContact O-N 3.16Å; A70-V90 HydrophobicContact CB-CG1 3.97Å; A70-K93 HydrophobicContact CB-CB 4.1Å; A70-V94 HydrophobicContact CB-CG2 3.63Å
71F92.6Very high88.3Confident15 Ų1563.8 Ų63.87%0.06634%0.34CS..Hα-helixtrans-55.8-50.8173.8-176-77.8000111.2G44 F47 T67 I69 K73 V74 A75 L82G44-F71 VanDerWaalsContact CA-CZ 3.4Å; F47-F71 HydrophobicContact CB-CD2 4.01Å; F47-F71 HydrophobicContact CB-CE2 4.03Å; F47-F71 AromaticContact CD1-CD2 3.84Å; F47-F71 HydrophobicContact CD1-CD2 3.84Å; F47-F71 AromaticContact CG-CD2 4Å; F47-F71 HydrophobicContact CG-CD2 4Å; F47-F71 HydrophobicContact CG-CE2 4.42Å; T67-F71 VanDerWaalsContact O-CB 3.28Å; T67-F71 WeakPolarHBondContact O-CB 3.4Å; T67-F71 PolarHBondContact O-N 3.2Å; I69-F71 PolarHBondContact O-N 3.38Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 3.48Å; F71-V74 PolarHBondContact O-N 2.91Å; F71-A75 HydrophobicContact CD1-CB 4.35Å; F71-A75 HydrophobicContact CE1-CB 4.08Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 3.22Å; F71-L82 HydrophobicContact CD2-CD1 3.23Å; F71-L82 HydrophobicContact CD2-CG 3.92Å; F71-L82 HydrophobicContact CE1-CG 4.37Å; F71-L82 HydrophobicContact CE2-CB 4.35Å; F71-L82 HydrophobicContact CE2-CD1 3.19Å; F71-L82 HydrophobicContact CE2-CG 3.44Å; F71-L82 VanDerWaalsContact CE2-CG 3.44Å; F71-L82 HydrophobicContact CG-CD1 4.01Å; F71-L82 HydrophobicContact CZ-CD1 3.96Å; F71-L82 HydrophobicContact CZ-CG 3.68Å
72S91.8Very high88.8Confident71 Ų7163.5 Ų63.550%0.49734%0.337SS..Hα-helixtrans-66.2-33.6-178.5-560000112.5G68 I69 A70 V74 G76G68-S72 WeakPolarHBondContact O-CB 3.16Å; G68-S72 PolarHBondContact O-N 3.37Å; G68-S72 PolarHBondContact O-OG 3.36Å; I69-S72 PolarHBondContact O-N 3.45Å; A70-S72 PolarHBondContact O-N 2.68Å; S72-V74 VanDerWaalsContact C-N 3.34Å; S72-G76 WeakPolarHBondContact O-CA 3.47Å; S72-G76 PolarHBondContact O-N 3.19Å
73K90.6Very high89.2Confident144 Ų14465.7 Ų65.763%0.62635%0.349SS*.Hα-helixtrans-66.6-32.5175.7-78.7177.6177.9179.50112.8I69 A70 F71I69-K73 HydrophobicContact CG2-CD 4.08Å; I69-K73 HydrophobicContact CG2-CG 4.36Å; I69-K73 WeakPolarHBondContact O-CB 3.47Å; I69-K73 WeakPolarHBondContact O-CG 3.5Å; I69-K73 PolarHBondContact O-N 2.97Å; A70-K73 PolarHBondContact O-N 2.89Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 3.48Å
74V91.1Very high89.2Confident26 Ų2665 Ų6516%0.15834%0.341CS..Hα-helixtrans-87.9-44.5178.9-179.70000111.5A70 F71 S72 G76 L82 E86 E89 V90 K93A70-V74 PolarHBondContact O-N 3.4Å; A70-V74 VanDerWaalsContact O-N 3.16Å; F71-V74 PolarHBondContact O-N 2.91Å; S72-V74 VanDerWaalsContact C-N 3.34Å; V74-G76 VanDerWaalsContact C-N 3.26Å; V74-G76 PolarHBondContact O-N 3.35Å; V74-L82 HydrophobicContact CB-CD2 4.1Å; V74-L82 HydrophobicContact CG1-CD2 3.92Å; V74-E86 HydrophobicContact CG1-CB 3.68Å; V74-E86 HydrophobicContact CG1-CG 3.94Å; V74-E89 HydrophobicContact CG1-CB 4.15Å; V74-E89 HydrophobicContact CG2-CB 4.17Å; V74-V90 HydrophobicContact CB-CG2 3.5Å; V74-V90 HydrophobicContact CG1-CG2 4.05Å; V74-V90 HydrophobicContact CG2-CB 4.43Å; V74-V90 HydrophobicContact CG2-CG2 3.43Å; V74-V90 VanDerWaalsContact CG2-CG2 3.43Å; V74-K93 HydrophobicContact CG2-CD 3.71Å
75A90.7Very high89.3Confident9 Ų967.6 Ų67.67%0.07435%0.349CS..Hα-helixtrans-64.9-32.3177.600000112.2F71 R79 L82F71-A75 HydrophobicContact CD1-CB 4.35Å; F71-A75 HydrophobicContact CE1-CB 4.08Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 3.22Å; A75-R79 WeakPolarHBondContact O-CB 3.42Å; A75-L82 HydrophobicContact CB-CD2 3.68Å
76G87.1Confident89.4Confident27 Ų2764.3 Ų64.328%0.27833%0.327SS..THydrogen-bonded Turntrans81-178.5-172.600000112.9S72 V74 R78S72-G76 WeakPolarHBondContact O-CA 3.47Å; S72-G76 PolarHBondContact O-N 3.19Å; V74-G76 VanDerWaalsContact C-N 3.26Å; V74-G76 PolarHBondContact O-N 3.35Å; G76-R78 PolarHBondContact O-N 3.16Å
77P83.5Confident89.5Confident138 Ų13863.6 Ų63.690%0.89632%0.323SS*.THydrogen-bonded Turntrans-74.3-22.2-168.826.7-34.5000114.7
78R83Confident89.5Confident236 Ų23665.6 Ų65.689%0.89133%0.331SS*.THydrogen-bonded Turntrans-103.5-33.9-174.1-65.2-171.2-176-155.32.3113.6G76G76-R78 PolarHBondContact O-N 3.16Å
79R85.3Confident89.6Confident95 Ų9565.8 Ų65.836%0.35832%0.322SS..  trans-86.2139.8179-65.5171.565-151-4.9109.2E41 A75 E86E41-R79 IonicContact OE1-CZ 3.16Å; E41-R79 IonicContact OE1-NH2 2.86Å; E41-R79 PolarHBondContact OE1-NH2 2.66Å; A75-R79 WeakPolarHBondContact O-CB 3.42Å; R79-E86 IonicContact CZ-OE1 3.56Å; R79-E86 IonicContact CZ-OE2 2.91Å; R79-E86 IonicContact NH1-OE1 3.3Å; R79-E86 PolarHBondContact NH1-OE1 3.08Å; R79-E86 IonicContact NH1-OE2 3.97Å; R79-E86 IonicContact NH2-OE1 2.64Å; R79-E86 PolarHBondContact NH2-OE1 2.95Å; R79-E86 IonicContact NH2-OE2 3.53Å; R79-E86 PolarHBondContact NH2-OE2 3.24Å
80K85Confident89.6Confident173 Ų17361.6 Ų61.675%0.75230%0.301SS*.  trans-114.612.6179-62.8-176.6-180177.90111.9
81T91.7Very high89.6Confident34 Ų3461.3 Ų61.321%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-138.1149.6-171.246.60000108.8E41 M42 T43E41-T81 HydrophobicContact CB-CG2 4.31Å; E41-T81 VanDerWaalsContact OE2-CB 3.25Å; E41-T81 WeakPolarHBondContact OE2-CB 3.22Å; E41-T81 PolarHBondContact OE2-OG1 3.47Å; M42-T81 CarbonylContact O-C 3.6Å; M42-T81 WeakPolarHBondContact O-CA 3.33Å; T43-T81 HydrophobicContact CG2-CG2 4Å
82L91Very high89.6Confident0 Ų060.6 Ų60.60%030%0.295CS..EExtended strand (participates in β ladder)trans-119.3144176.9-63.1172.2000109.8W28 E41 M42 F71 V74 A75 E86 V90W28-L82 WeakPolarHBondContact CZ2-O 3.33Å; E41-L82 CarbonylContact C-O 3.57Å; E41-L82 WeakPolarHBondContact CA-O 3.37Å; E41-L82 WeakPolarHBondContact CB-O 3.46Å; M42-L82 PolarHBondContact N-O 2.77Å; M42-L82 PolarHBondContact O-N 2.97Å; F71-L82 HydrophobicContact CD2-CD1 3.23Å; F71-L82 HydrophobicContact CD2-CG 3.92Å; F71-L82 HydrophobicContact CE1-CG 4.37Å; F71-L82 HydrophobicContact CE2-CB 4.35Å; F71-L82 HydrophobicContact CE2-CD1 3.19Å; F71-L82 HydrophobicContact CE2-CG 3.44Å; F71-L82 VanDerWaalsContact CE2-CG 3.44Å; F71-L82 HydrophobicContact CG-CD1 4.01Å; F71-L82 HydrophobicContact CZ-CD1 3.96Å; F71-L82 HydrophobicContact CZ-CG 3.68Å; V74-L82 HydrophobicContact CB-CD2 4.1Å; V74-L82 HydrophobicContact CG1-CD2 3.92Å; A75-L82 HydrophobicContact CB-CD2 3.68Å; L82-E86 WeakPolarHBondContact CA-OE2 3.29Å; L82-E86 HydrophobicContact CB-CB 4.15Å; L82-E86 HydrophobicContact CD2-CB 3.92Å; L82-V90 HydrophobicContact CD1-CB 4.39Å; L82-V90 HydrophobicContact CD1-CG2 3.55Å; L82-V90 HydrophobicContact CD2-CG2 4.36Å
83N91.9Very high89.5Confident55 Ų5560.1 Ų60.129%0.29428%0.284SS..  trans-79.8174.6163.46839.9000110.9H85 E86 T87N83-H85 PolarHBondContact O-N 3.1Å; N83-H85 PolarHBondContact OD1-N 3.29Å; N83-E86 VanDerWaalsContact CG-CD 3.49Å; N83-E86 VanDerWaalsContact CG-OE2 3.25Å; N83-E86 PolarHBondContact N-OE2 3.04Å; N83-E86 PolarHBondContact ND2-OE2 3.38Å; N83-E86 PolarHBondContact O-N 3.31Å; N83-E86 WeakPolarHBondContact OD1-CB 3.39Å; N83-E86 WeakPolarHBondContact OD1-CG 3.45Å; N83-E86 PolarHBondContact OD1-N 2.89Å; N83-T87 PolarHBondContact O-N 2.81Å; N83-T87 PolarHBondContact O-OG1 3.17Å
84Y89.6Confident89.5Confident32 Ų3253.3 Ų53.313%0.12526%0.255CS..Hα-helixtrans-61.1-45-178179.7-103.9000112.7W19 E21 Q25 W28 E86 T87 R88W19-Y84 HydrophobicContact CZ2-CE2 4.43Å; W19-Y84 PolarHBondContact NE1-OH 2.9Å; E21-Y84 HydrophobicContact CG-CE1 4.42Å; E21-Y84 PolarHBondContact O-OH 3.3Å; E21-Y84 WeakPolarHBondContact OE1-CE1 3.46Å; Q25-Y84 VanDerWaalsContact CA-CE2 3.47Å; Q25-Y84 HydrophobicContact CB-CD2 4.4Å; Q25-Y84 HydrophobicContact CB-CE2 3.84Å; Q25-Y84 HydrophobicContact CG-CD2 4.29Å; Q25-Y84 HydrophobicContact CG-CE2 4.23Å; W28-Y84 HydrophobicContact CB-CD2 3.98Å; W28-Y84 HydrophobicContact CB-CE2 4.1Å; W28-Y84 AromaticContact CD2-CD2 3.8Å; W28-Y84 HydrophobicContact CD2-CD2 3.8Å; W28-Y84 HydrophobicContact CE3-CD2 4.16Å; W28-Y84 AromaticContact CG-CD2 3.68Å; W28-Y84 HydrophobicContact CG-CD2 3.68Å; W28-Y84 HydrophobicContact CG-CE2 4.26Å; Y84-E86 PolarHBondContact O-N 3.01Å; Y84-T87 WeakPolarHBondContact O-CB 3.44Å; Y84-T87 PolarHBondContact O-N 3.44Å; Y84-T87 VanDerWaalsContact O-N 3.09Å; Y84-R88 PolarHBondContact O-N 2.89Å
85H89.1Confident89.5Confident119 Ų11952 Ų5255%0.55125%0.247SC*.Hα-helixtrans-62.3-45.3178.7-178.4-78.4000112.3N83 T87 R88 E89N83-H85 PolarHBondContact O-N 3.1Å; N83-H85 PolarHBondContact OD1-N 3.29Å; H85-T87 PolarHBondContact O-N 3.37Å; H85-R88 WeakPolarHBondContact O-CB 3.28Å; H85-R88 PolarHBondContact O-N 3.34Å; H85-E89 PolarHBondContact O-N 3.22Å
86E91.2Very high89.5Confident30 Ų3055 Ų5514%0.1426%0.26CS..Hα-helixtrans-62.5-31.4174.7-74.1171.1161.700111.6V74 R79 L82 N83 Y84 R88 E89 V90V74-E86 HydrophobicContact CG1-CB 3.68Å; V74-E86 HydrophobicContact CG1-CG 3.94Å; R79-E86 IonicContact CZ-OE1 3.56Å; R79-E86 IonicContact CZ-OE2 2.91Å; R79-E86 IonicContact NH1-OE1 3.3Å; R79-E86 PolarHBondContact NH1-OE1 3.08Å; R79-E86 IonicContact NH1-OE2 3.97Å; R79-E86 IonicContact NH2-OE1 2.64Å; R79-E86 PolarHBondContact NH2-OE1 2.95Å; R79-E86 IonicContact NH2-OE2 3.53Å; R79-E86 PolarHBondContact NH2-OE2 3.24Å; L82-E86 WeakPolarHBondContact CA-OE2 3.29Å; L82-E86 HydrophobicContact CB-CB 4.15Å; L82-E86 HydrophobicContact CD2-CB 3.92Å; N83-E86 VanDerWaalsContact CG-CD 3.49Å; N83-E86 VanDerWaalsContact CG-OE2 3.25Å; N83-E86 PolarHBondContact N-OE2 3.04Å; N83-E86 PolarHBondContact ND2-OE2 3.38Å; N83-E86 PolarHBondContact O-N 3.31Å; N83-E86 WeakPolarHBondContact OD1-CB 3.39Å; N83-E86 WeakPolarHBondContact OD1-CG 3.45Å; N83-E86 PolarHBondContact OD1-N 2.89Å; Y84-E86 PolarHBondContact O-N 3.01Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-E89 WeakPolarHBondContact O-CB 3.31Å; E86-E89 PolarHBondContact O-N 3.15Å; E86-V90 WeakPolarHBondContact O-CG2 3.44Å; E86-V90 PolarHBondContact O-N 3Å
87T91.4Very high89.5Confident2 Ų256.9 Ų56.91%0.01226%0.263CS..Hα-helixtrans-66.5-38.4176.3-55.30000111.3W28 F47 W50 N83 Y84 H85 V90 L91W28-T87 PolarHBondContact NE1-OG1 2.79Å; F47-T87 HydrophobicContact CD2-CG2 3.98Å; F47-T87 HydrophobicContact CE2-CG2 3.74Å; W50-T87 HydrophobicContact CE3-CG2 4.49Å; W50-T87 HydrophobicContact CZ3-CG2 3.7Å; N83-T87 PolarHBondContact O-N 2.81Å; N83-T87 PolarHBondContact O-OG1 3.17Å; Y84-T87 WeakPolarHBondContact O-CB 3.44Å; Y84-T87 PolarHBondContact O-N 3.44Å; Y84-T87 VanDerWaalsContact O-N 3.09Å; H85-T87 PolarHBondContact O-N 3.37Å; T87-V90 PolarHBondContact O-N 3.16Å; T87-L91 WeakPolarHBondContact O-CG 3.2Å; T87-L91 PolarHBondContact O-N 3.13Å
88R90.4Very high89.6Confident44 Ų4452.6 Ų52.617%0.16623%0.229CC..Hα-helixtrans-61.7-43.9172.9-67.7177.761.8-172.9-5.8111.5A11 W16 W19 E21 Y84 H85 E86 V90 L91 V92A11-R88 HydrophobicContact CB-CB 4.28Å; W16-R88 HydrophobicContact CH2-CB 3.81Å; W16-R88 HydrophobicContact CH2-CG 4.06Å; W16-R88 HydrophobicContact CZ2-CB 3.84Å; W16-R88 HydrophobicContact CZ2-CG 4.34Å; W16-R88 HydrophobicContact CZ3-CG 4.49Å; W19-R88 HydrophobicContact CZ2-CG 4.21Å; E21-R88 IonicContact OE1-CZ 3.98Å; E21-R88 IonicContact OE1-NH1 3.82Å; E21-R88 PolarHBondContact OE1-NH1 2.86Å; E21-R88 IonicContact OE2-CZ 3.8Å; E21-R88 IonicContact OE2-NH1 2.98Å; E21-R88 PolarHBondContact OE2-NH1 2.78Å; Y84-R88 PolarHBondContact O-N 2.89Å; H85-R88 WeakPolarHBondContact O-CB 3.28Å; H85-R88 PolarHBondContact O-N 3.34Å; E86-R88 VanDerWaalsContact C-N 3.33Å; R88-V90 VanDerWaalsContact C-N 3.28Å; R88-V90 PolarHBondContact O-N 2.87Å; R88-L91 PolarHBondContact O-N 3.4Å; R88-L91 VanDerWaalsContact O-N 3.13Å; R88-V92 PolarHBondContact O-N 3.04Å; R88-V92 VanDerWaalsContact O-N 3.1Å
89E91.5Very high89.8Confident36 Ų3641.7 Ų41.717%0.16819%0.189CC..Hα-helixtrans-57.9-39.4173.6-71.9-71.9139.900112.5A11 V74 H85 E86 V92 K93A11-E89 WeakPolarHBondContact CA-OE1 3.42Å; A11-E89 HydrophobicContact CB-CG 4.3Å; A11-E89 WeakPolarHBondContact CB-OE1 3.42Å; A11-E89 PolarHBondContact N-OE1 3.49Å; V74-E89 HydrophobicContact CG1-CB 4.15Å; V74-E89 HydrophobicContact CG2-CB 4.17Å; H85-E89 PolarHBondContact O-N 3.22Å; E86-E89 WeakPolarHBondContact O-CB 3.31Å; E86-E89 PolarHBondContact O-N 3.15Å; E89-V92 PolarHBondContact O-N 3.08Å; E89-K93 WeakPolarHBondContact O-CG 3.48Å; E89-K93 PolarHBondContact O-N 3.43Å; E89-K93 VanDerWaalsContact O-N 3.08Å
90V91.9Very high89.7Confident0 Ų041.6 Ų41.60%020%0.204CC..Hα-helixtrans-65.4-42175.7175.80000111.4F47 A70 V74 L82 E86 T87 R88 V92 K93 V94F47-V90 HydrophobicContact CE1-CG1 3.58Å; F47-V90 HydrophobicContact CE2-CG1 4.31Å; F47-V90 HydrophobicContact CZ-CB 4.22Å; F47-V90 HydrophobicContact CZ-CG1 3.42Å; F47-V90 VanDerWaalsContact CZ-CG1 3.42Å; A70-V90 HydrophobicContact CB-CG1 3.97Å; V74-V90 HydrophobicContact CB-CG2 3.5Å; V74-V90 HydrophobicContact CG1-CG2 4.05Å; V74-V90 HydrophobicContact CG2-CB 4.43Å; V74-V90 HydrophobicContact CG2-CG2 3.43Å; V74-V90 VanDerWaalsContact CG2-CG2 3.43Å; L82-V90 HydrophobicContact CD1-CB 4.39Å; L82-V90 HydrophobicContact CD1-CG2 3.55Å; L82-V90 HydrophobicContact CD2-CG2 4.36Å; E86-V90 WeakPolarHBondContact O-CG2 3.44Å; E86-V90 PolarHBondContact O-N 3Å; T87-V90 PolarHBondContact O-N 3.16Å; R88-V90 VanDerWaalsContact C-N 3.28Å; R88-V90 PolarHBondContact O-N 2.87Å; V90-V92 VanDerWaalsContact C-N 3.32Å; V90-V92 PolarHBondContact O-N 2.96Å; V90-K93 PolarHBondContact O-N 3.35Å; V90-V94 HydrophobicContact CG1-CG2 4.22Å; V90-V94 VanDerWaalsContact O-CG2 3.29Å; V90-V94 WeakPolarHBondContact O-CG2 3.49Å; V90-V94 PolarHBondContact O-N 3.5Å
91L91.8Very high89.7Confident1 Ų138.8 Ų38.81%0.00519%0.191CC..Hα-helixtrans-60.9-41.5178.3-66.2175.2000111.7W16 W19 F47 L51 T87 R88 V94 A95 L110 I113 L117W16-L91 HydrophobicContact CH2-CB 4.38Å; W16-L91 HydrophobicContact CH2-CD1 4.48Å; W19-L91 HydrophobicContact CH2-CD1 3.44Å; W19-L91 VanDerWaalsContact CH2-CD1 3.44Å; W19-L91 HydrophobicContact CZ2-CD1 4.46Å; W19-L91 HydrophobicContact CZ3-CD1 3.64Å; F47-L91 HydrophobicContact CE2-CD2 4.23Å; F47-L91 HydrophobicContact CZ-CD2 4.15Å; L51-L91 HydrophobicContact CD2-CD2 4.11Å; T87-L91 WeakPolarHBondContact O-CG 3.2Å; T87-L91 PolarHBondContact O-N 3.13Å; R88-L91 PolarHBondContact O-N 3.4Å; R88-L91 VanDerWaalsContact O-N 3.13Å; L91-V94 PolarHBondContact O-N 2.99Å; L91-A95 WeakPolarHBondContact O-CB 3.25Å; L91-A95 PolarHBondContact O-N 3.33Å; L91-L110 HydrophobicContact CB-CD1 4.1Å; L91-I113 HydrophobicContact CD2-CG2 3.95Å; L91-L117 HydrophobicContact CD1-CD1 3.96Å; L91-L117 HydrophobicContact CD2-CD1 3.95Å
92V91.6Very high89.3Confident0 Ų039.1 Ų39.10%019%0.193CC..Hα-helixtrans-63.5-44.3175.21790000111.5T9 A11 V14 W16 R88 E89 V90 V94 A95 E96 V106 L110T9-V92 HydrophobicContact CG2-CG1 3.85Å; T9-V92 WeakPolarHBondContact O-CG1 3.38Å; A11-V92 HydrophobicContact CB-CG2 4.3Å; V14-V92 HydrophobicContact CG1-CG1 4.24Å; V14-V92 HydrophobicContact CG2-CG2 3.72Å; W16-V92 HydrophobicContact CH2-CG2 4.22Å; W16-V92 HydrophobicContact CZ2-CG2 3.72Å; R88-V92 PolarHBondContact O-N 3.04Å; R88-V92 VanDerWaalsContact O-N 3.1Å; E89-V92 PolarHBondContact O-N 3.08Å; V90-V92 VanDerWaalsContact C-N 3.32Å; V90-V92 PolarHBondContact O-N 2.96Å; V92-V94 VanDerWaalsContact C-N 3.3Å; V92-V94 PolarHBondContact O-N 3.45Å; V92-A95 CarbonylContact O-C 3.21Å; V92-A95 WeakPolarHBondContact O-CB 3.38Å; V92-A95 PolarHBondContact O-N 3.28Å; V92-E96 WeakPolarHBondContact O-CB 3.49Å; V92-E96 PolarHBondContact O-N 2.98Å; V92-V106 HydrophobicContact CG1-CG1 4.48Å; V92-L110 HydrophobicContact CG2-CD1 4.27Å; V92-L110 HydrophobicContact CG2-CD2 4.15Å
93K90.9Very high88.8Confident61 Ų6147.6 Ų47.627%0.26523%0.233SC..Hα-helixtrans-64.1-34.2176.3-73-179.1-175.2176.20113.1A70 V74 E89 V90 D97A70-K93 HydrophobicContact CB-CB 4.1Å; V74-K93 HydrophobicContact CG2-CD 3.71Å; E89-K93 WeakPolarHBondContact O-CG 3.48Å; E89-K93 PolarHBondContact O-N 3.43Å; E89-K93 VanDerWaalsContact O-N 3.08Å; V90-K93 PolarHBondContact O-N 3.35Å; K93-D97 PolarHBondContact O-N 2.94Å; K93-D97 VanDerWaalsContact O-N 3.07Å
94V91.1Very high88.5Confident1 Ų149.8 Ų49.81%0.00624%0.239CC..Hα-helixtrans-68.3-42.6173.8171.60000110.5I62 T67 A70 V90 L91 V92 R98 I113I62-V94 HydrophobicContact CB-CG1 4.48Å; I62-V94 HydrophobicContact CD1-CG1 3.96Å; I62-V94 HydrophobicContact CG1-CG1 4.09Å; I62-V94 HydrophobicContact CG2-CG1 3.56Å; T67-V94 HydrophobicContact CG2-CG1 4.16Å; T67-V94 HydrophobicContact CG2-CG2 4Å; A70-V94 HydrophobicContact CB-CG2 3.63Å; V90-V94 HydrophobicContact CG1-CG2 4.22Å; V90-V94 VanDerWaalsContact O-CG2 3.29Å; V90-V94 WeakPolarHBondContact O-CG2 3.49Å; V90-V94 PolarHBondContact O-N 3.5Å; L91-V94 PolarHBondContact O-N 2.99Å; V92-V94 VanDerWaalsContact C-N 3.3Å; V92-V94 PolarHBondContact O-N 3.45Å; V94-R98 WeakPolarHBondContact O-CB 3.35Å; V94-R98 PolarHBondContact O-N 3.36Å; V94-I113 HydrophobicContact CG1-CD1 4.15Å
95A90.2Very high88.4Confident0 Ų050.8 Ų50.80%025%0.251CS..Hα-helixtrans-63.1-41.6175.200000111.8L91 V92 R98 A99 V106 E109 L110 I113L91-A95 WeakPolarHBondContact O-CB 3.25Å; L91-A95 PolarHBondContact O-N 3.33Å; V92-A95 CarbonylContact O-C 3.21Å; V92-A95 WeakPolarHBondContact O-CB 3.38Å; V92-A95 PolarHBondContact O-N 3.28Å; A95-R98 PolarHBondContact O-N 3.41Å; A95-A99 WeakPolarHBondContact O-CB 3.48Å; A95-A99 PolarHBondContact O-N 3.48Å; A95-V106 HydrophobicContact CB-CG1 4.12Å; A95-E109 HydrophobicContact CB-CB 3.99Å; A95-L110 HydrophobicContact CB-CB 3.96Å; A95-L110 HydrophobicContact CB-CD1 4.28Å; A95-I113 HydrophobicContact CB-CD1 4.04Å
96E89.6Confident88.4Confident72 Ų7246.7 Ų46.734%0.33624%0.235SC..Hα-helixtrans-62.5-48.2176.6-172.4-173.5-17200111.9V92 R98 A99 S100 V106V92-E96 WeakPolarHBondContact O-CB 3.49Å; V92-E96 PolarHBondContact O-N 2.98Å; E96-R98 PolarHBondContact O-N 2.85Å; E96-A99 PolarHBondContact O-N 3.4Å; E96-S100 PolarHBondContact O-N 2.86Å; E96-V106 HydrophobicContact CB-CG1 4.42Å; E96-V106 HydrophobicContact CB-CG2 4.45Å; E96-V106 HydrophobicContact CG-CG2 4.45Å
97D87.1Confident88.1Confident65 Ų6547.6 Ų47.635%0.34824%0.239SC..Hα-helixtrans-63.4-33.2177.9-167.779.2000111.7M66 K93 K101M66-D97 HydrophobicContact CE-CB 4.2Å; M66-D97 WeakPolarHBondContact CE-OD2 3.22Å; M66-D97 WeakPolarHBondContact CG-OD2 3.37Å; K93-D97 PolarHBondContact O-N 2.94Å; K93-D97 VanDerWaalsContact O-N 3.07Å; D97-K101 IonicContact OD2-NZ 2.81Å; D97-K101 PolarHBondContact OD2-NZ 2.87Å
98R86.2Confident87.9Confident48 Ų4852.1 Ų52.118%0.18126%0.26CS..Hα-helixtrans-72.4-47.4175.4-17862.3177.1173-0.9111.8K60 G61 I62 M66 V94 A95 E96 S100 K101 T102 E109K60-R98 PolarHBondContact O-NH1 3.06Å; G61-R98 VanDerWaalsContact CA-CZ 3.41Å; G61-R98 PolarHBondContact O-NH1 2.92Å; I62-R98 HydrophobicContact CG1-CB 4.27Å; I62-R98 HydrophobicContact CG1-CG 4.2Å; M66-R98 HydrophobicContact CE-CB 4.41Å; V94-R98 WeakPolarHBondContact O-CB 3.35Å; V94-R98 PolarHBondContact O-N 3.36Å; A95-R98 PolarHBondContact O-N 3.41Å; E96-R98 PolarHBondContact O-N 2.85Å; R98-S100 VanDerWaalsContact C-N 3.26Å; R98-S100 PolarHBondContact O-N 3.4Å; R98-K101 WeakPolarHBondContact O-CB 3.46Å; R98-K101 PolarHBondContact O-N 3.28Å; R98-T102 HydrophobicContact CG-CG2 4.46Å; R98-T102 PolarHBondContact O-N 2.79Å; R98-T102 PolarHBondContact O-OG1 2.98Å; R98-T102 VanDerWaalsContact O-OG1 3.12Å; R98-E109 HydrophobicContact CB-CG 4.19Å; R98-E109 HydrophobicContact CG-CG 3.86Å; R98-E109 WeakPolarHBondContact CG-OE2 3.37Å
99A87.1Confident87.8Confident7 Ų750.5 Ų50.56%0.05825%0.254CS..Hα-helixtrans-57.9-39.8178.800000111.4A95 E96 K101 T102 H103 K104 V106 E109A95-A99 WeakPolarHBondContact O-CB 3.48Å; A95-A99 PolarHBondContact O-N 3.48Å; E96-A99 PolarHBondContact O-N 3.4Å; A99-K101 PolarHBondContact O-N 2.81Å; A99-K101 VanDerWaalsContact O-N 3.16Å; A99-T102 PolarHBondContact O-N 2.85Å; A99-H103 WeakPolarHBondContact O-CA 3.33Å; A99-H103 PolarHBondContact O-N 2.9Å; A99-K104 WeakPolarHBondContact CB-O 3.4Å; A99-V106 HydrophobicContact CB-CG2 3.99Å; A99-E109 HydrophobicContact CB-CG 4.05Å
100S84.6Confident87.7Confident94 Ų9448.8 Ų48.866%0.65725%0.246SC*.Hα-helixtrans-61.3-22.8174.9-175.30000113.7E96 R98E96-S100 PolarHBondContact O-N 2.86Å; R98-S100 VanDerWaalsContact C-N 3.26Å; R98-S100 PolarHBondContact O-N 3.4Å
101K84.4Confident87.5Confident113 Ų11350.6 Ų50.649%0.49126%0.256SS..Hα-helixtrans-96.6-32.7179.8-70.5168.3175.6149.20112.9M66 D97 R98 A99M66-K101 HydrophobicContact CE-CD 4.31Å; M66-K101 PolarHBondContact SD-NZ 2.9Å; D97-K101 IonicContact OD2-NZ 2.81Å; D97-K101 PolarHBondContact OD2-NZ 2.87Å; R98-K101 WeakPolarHBondContact O-CB 3.46Å; R98-K101 PolarHBondContact O-N 3.28Å; A99-K101 PolarHBondContact O-N 2.81Å; A99-K101 VanDerWaalsContact O-N 3.16Å
102T83.7Confident87.3Confident42 Ų4254.2 Ų54.226%0.25827%0.27SS..Hα-helixtrans-95-7.1-176.755.40000113.3R98 A99 K104 E109R98-T102 HydrophobicContact CG-CG2 4.46Å; R98-T102 PolarHBondContact O-N 2.79Å; R98-T102 PolarHBondContact O-OG1 2.98Å; R98-T102 VanDerWaalsContact O-OG1 3.12Å; A99-T102 PolarHBondContact O-N 2.85Å; T102-K104 PolarHBondContact O-N 3Å; T102-E109 PolarHBondContact OG1-OE1 3.37Å
103H80.5Confident87.2Confident178 Ų17854.4 Ų54.482%0.82427%0.27SS*.THydrogen-bonded Turntrans56.723.7-171.5-60.4-81.6000113.6A99A99-H103 WeakPolarHBondContact O-CA 3.33Å; A99-H103 PolarHBondContact O-N 2.9Å
104K84.3Confident87Confident100 Ų10051.7 Ų51.744%0.43526%0.259SS..  trans-91.8166.6173.6-65.3-174176.8-171.50110.5A99 T102 E109A99-K104 WeakPolarHBondContact CB-O 3.4Å; T102-K104 PolarHBondContact O-N 3Å; K104-E109 HydrophobicContact CB-CG 4.48Å
105S87.8Confident86.8Confident54 Ų5456 Ų5638%0.37828%0.279SS..  trans-71150.2174.473.50000110.8Q107 E108 E109S105-Q107 PolarHBondContact O-N 3.49Å; S105-E108 PolarHBondContact O-N 3.34Å; S105-E108 VanDerWaalsContact OG-CB 3.31Å; S105-E108 WeakPolarHBondContact OG-CB 3.37Å; S105-E108 WeakPolarHBondContact OG-CG 3.2Å; S105-E108 PolarHBondContact OG-N 2.98Å; S105-E108 VanDerWaalsContact OG-N 3.1Å; S105-E109 PolarHBondContact O-N 3.47Å
106V88.2Confident86.7Confident33 Ų3362.3 Ų62.320%0.230%0.303CS..Hα-helixtrans-58.9-39.5175.2-178.70000110.3T9 V14 V92 A95 E96 A99 E109 L110T9-V106 HydrophobicContact CG2-CG1 4.48Å; V14-V106 HydrophobicContact CG1-CG1 4.4Å; V92-V106 HydrophobicContact CG1-CG1 4.48Å; A95-V106 HydrophobicContact CB-CG1 4.12Å; E96-V106 HydrophobicContact CB-CG1 4.42Å; E96-V106 HydrophobicContact CB-CG2 4.45Å; E96-V106 HydrophobicContact CG-CG2 4.45Å; A99-V106 HydrophobicContact CB-CG2 3.99Å; V106-E109 PolarHBondContact O-N 3.28Å; V106-L110 WeakPolarHBondContact O-CB 3.43Å; V106-L110 PolarHBondContact O-N 2.97Å
107Q86.4Confident86.6Confident49 Ų4958.9 Ų58.923%0.22929%0.287CS..Hα-helixtrans-59.8-48.6177.7-172.959.546.500111.8S15 S105 E109 L110 D111S15-Q107 PolarHBondContact O-NE2 3.47Å; S15-Q107 PolarHBondContact O-OE1 2.84Å; S105-Q107 PolarHBondContact O-N 3.49Å; Q107-E109 VanDerWaalsContact C-N 3.33Å; Q107-E109 PolarHBondContact O-N 3.07Å; Q107-L110 PolarHBondContact O-N 3.32Å; Q107-L110 VanDerWaalsContact O-N 3.15Å; Q107-D111 PolarHBondContact NE2-OD1 3.3Å; Q107-D111 PolarHBondContact NE2-OD2 2.84Å; Q107-D111 WeakPolarHBondContact O-CB 3.46Å; Q107-D111 PolarHBondContact O-N 2.96Å
108E87.3Confident86.5Confident97 Ų9757.7 Ų57.745%0.45328%0.284SS..Hα-helixtrans-62.6-37.8179-81.8178.4-163.500113.2S105 R112S105-E108 PolarHBondContact O-N 3.34Å; S105-E108 VanDerWaalsContact OG-CB 3.31Å; S105-E108 WeakPolarHBondContact OG-CB 3.37Å; S105-E108 WeakPolarHBondContact OG-CG 3.2Å; S105-E108 PolarHBondContact OG-N 2.98Å; S105-E108 VanDerWaalsContact OG-N 3.1Å; E108-R112 WeakPolarHBondContact O-CG 3.33Å; E108-R112 PolarHBondContact O-N 3.07Å; E108-R112 PolarHBondContact O-NE 3.35Å; E108-R112 PolarHBondContact O-NH1 3.16Å; E108-R112 VanDerWaalsContact O-NH1 3.08Å; E108-R112 IonicContact OE2-NH1 2.68Å
109E87.6Confident86.3Confident10 Ų1061.7 Ų61.75%0.04730%0.302CS..Hα-helixtrans-68.5-40.6174.3-69.4-66.3167.800111.1A95 R98 A99 T102 K104 S105 V106 Q107 R112 I113A95-E109 HydrophobicContact CB-CB 3.99Å; R98-E109 HydrophobicContact CB-CG 4.19Å; R98-E109 HydrophobicContact CG-CG 3.86Å; R98-E109 WeakPolarHBondContact CG-OE2 3.37Å; A99-E109 HydrophobicContact CB-CG 4.05Å; T102-E109 PolarHBondContact OG1-OE1 3.37Å; K104-E109 HydrophobicContact CB-CG 4.48Å; S105-E109 PolarHBondContact O-N 3.47Å; V106-E109 PolarHBondContact O-N 3.28Å; Q107-E109 VanDerWaalsContact C-N 3.33Å; Q107-E109 PolarHBondContact O-N 3.07Å; E109-R112 VanDerWaalsContact CG-NH2 3.34Å; E109-R112 PolarHBondContact O-N 2.79Å; E109-R112 IonicContact OE1-CZ 3.46Å; E109-R112 IonicContact OE1-NH2 2.88Å; E109-R112 PolarHBondContact OE1-NH2 2.95Å; E109-R112 IonicContact OE2-CZ 3.5Å; E109-R112 IonicContact OE2-NE 3.4Å; E109-R112 PolarHBondContact OE2-NE 3.37Å; E109-R112 VanDerWaalsContact OE2-NE 3.16Å; E109-R112 IonicContact OE2-NH2 3.57Å; E109-R112 PolarHBondContact OE2-NH2 3.22Å; E109-I113 WeakPolarHBondContact O-CD1 3.38Å; E109-I113 VanDerWaalsContact O-CG1 3.25Å; E109-I113 WeakPolarHBondContact O-CG1 3.33Å; E109-I113 PolarHBondContact O-N 3.06Å
110L89.4Confident86Confident0 Ų062.3 Ų62.30%031%0.305CS..Hα-helixtrans-63.9-47.1178-173.766.2000111.2V14 W16 L91 V92 A95 V106 Q107 R112 I113 C114V14-L110 HydrophobicContact CB-CD2 3.81Å; V14-L110 HydrophobicContact CG1-CD2 4.29Å; V14-L110 HydrophobicContact CG2-CD2 3.57Å; W16-L110 HydrophobicContact CH2-CD1 4.07Å; W16-L110 HydrophobicContact CH2-CD2 4.3Å; W16-L110 HydrophobicContact CZ2-CD2 4.24Å; W16-L110 HydrophobicContact CZ3-CD1 4.28Å; W16-L110 HydrophobicContact CZ3-CD2 4.47Å; L91-L110 HydrophobicContact CB-CD1 4.1Å; V92-L110 HydrophobicContact CG2-CD1 4.27Å; V92-L110 HydrophobicContact CG2-CD2 4.15Å; A95-L110 HydrophobicContact CB-CB 3.96Å; A95-L110 HydrophobicContact CB-CD1 4.28Å; V106-L110 WeakPolarHBondContact O-CB 3.43Å; V106-L110 PolarHBondContact O-N 2.97Å; Q107-L110 PolarHBondContact O-N 3.32Å; Q107-L110 VanDerWaalsContact O-N 3.15Å; L110-R112 VanDerWaalsContact C-N 3.29Å; L110-R112 PolarHBondContact O-N 3.43Å; L110-I113 CarbonylContact O-C 3.45Å; L110-I113 WeakPolarHBondContact O-CA 3.38Å; L110-I113 WeakPolarHBondContact O-CB 3.13Å; L110-I113 PolarHBondContact O-N 2.92Å; L110-C114 WeakPolarHBondContact O-CB 3.25Å; L110-C114 PolarHBondContact O-N 3.49Å; L110-C114 PolarHBondContact O-SG 2.64Å
111D88.1Confident85.6Confident38 Ų3865.8 Ų65.820%0.20331%0.31CS..Hα-helixtrans-58-42177.4-77.8-44.6000111.8N18 Q107 I113 C114 E115N18-D111 PolarHBondContact ND2-OD1 3.05Å; Q107-D111 PolarHBondContact NE2-OD1 3.3Å; Q107-D111 PolarHBondContact NE2-OD2 2.84Å; Q107-D111 WeakPolarHBondContact O-CB 3.46Å; Q107-D111 PolarHBondContact O-N 2.96Å; D111-I113 VanDerWaalsContact C-N 3.34Å; D111-I113 PolarHBondContact O-N 3.15Å; D111-C114 PolarHBondContact O-N 2.76Å; D111-E115 WeakPolarHBondContact O-CB 3.49Å; D111-E115 PolarHBondContact O-N 3.31Å
112R87.5Confident85.4Confident77 Ų7761.2 Ų61.229%0.29130%0.296SS..Hα-helixtrans-61.8-41.4173.7-78.3-171.8-69-824.1112.6E108 E109 L110 R116E108-R112 WeakPolarHBondContact O-CG 3.33Å; E108-R112 PolarHBondContact O-N 3.07Å; E108-R112 PolarHBondContact O-NE 3.35Å; E108-R112 PolarHBondContact O-NH1 3.16Å; E108-R112 VanDerWaalsContact O-NH1 3.08Å; E108-R112 IonicContact OE2-NH1 2.68Å; E109-R112 VanDerWaalsContact CG-NH2 3.34Å; E109-R112 PolarHBondContact O-N 2.79Å; E109-R112 IonicContact OE1-CZ 3.46Å; E109-R112 IonicContact OE1-NH2 2.88Å; E109-R112 PolarHBondContact OE1-NH2 2.95Å; E109-R112 IonicContact OE2-CZ 3.5Å; E109-R112 IonicContact OE2-NE 3.4Å; E109-R112 PolarHBondContact OE2-NE 3.37Å; E109-R112 VanDerWaalsContact OE2-NE 3.16Å; E109-R112 IonicContact OE2-NH2 3.57Å; E109-R112 PolarHBondContact OE2-NH2 3.22Å; L110-R112 VanDerWaalsContact C-N 3.29Å; L110-R112 PolarHBondContact O-N 3.43Å; R112-R116 WeakPolarHBondContact O-CG 3.5Å; R112-R116 PolarHBondContact O-N 3.18Å
113I88.4Confident85.2Confident4 Ų460.8 Ų60.82%0.02129%0.294CS..Hα-helixtrans-65.6-47.3177.7-67.2163.9000109.5V56 I62 L91 V94 A95 E109 L110 D111 E115 R116 L117V56-I113 HydrophobicContact CG1-CG1 3.97Å; V56-I113 HydrophobicContact CG1-CG2 4.11Å; V56-I113 HydrophobicContact CG2-CG2 4.24Å; I62-I113 HydrophobicContact CD1-CD1 3.73Å; I62-I113 HydrophobicContact CD1-CG1 3.81Å; L91-I113 HydrophobicContact CD2-CG2 3.95Å; V94-I113 HydrophobicContact CG1-CD1 4.15Å; A95-I113 HydrophobicContact CB-CD1 4.04Å; E109-I113 WeakPolarHBondContact O-CD1 3.38Å; E109-I113 VanDerWaalsContact O-CG1 3.25Å; E109-I113 WeakPolarHBondContact O-CG1 3.33Å; E109-I113 PolarHBondContact O-N 3.06Å; L110-I113 CarbonylContact O-C 3.45Å; L110-I113 WeakPolarHBondContact O-CA 3.38Å; L110-I113 WeakPolarHBondContact O-CB 3.13Å; L110-I113 PolarHBondContact O-N 2.92Å; D111-I113 VanDerWaalsContact C-N 3.34Å; D111-I113 PolarHBondContact O-N 3.15Å; I113-E115 PolarHBondContact O-N 3.12Å; I113-R116 PolarHBondContact O-N 3.43Å; I113-L117 HydrophobicContact CG2-CD1 3.73Å; I113-L117 HydrophobicContact CG2-CG 4.34Å; I113-L117 VanDerWaalsContact O-CG 3.28Å; I113-L117 WeakPolarHBondContact O-CG 3.32Å; I113-L117 PolarHBondContact O-N 3.34Å
114C87.2Confident85Confident3 Ų355.1 Ų55.12%0.0227%0.271CS..Hα-helixtrans-60.2-44.7178.5-660000112.1W19 L110 D111 R116 L117 S118W19-C114 HydrophobicContact CE3-CB 4.09Å; L110-C114 WeakPolarHBondContact O-CB 3.25Å; L110-C114 PolarHBondContact O-N 3.49Å; L110-C114 PolarHBondContact O-SG 2.64Å; D111-C114 PolarHBondContact O-N 2.76Å; C114-R116 VanDerWaalsContact C-N 3.27Å; C114-R116 PolarHBondContact O-N 3Å; C114-L117 PolarHBondContact O-N 3.02Å; C114-S118 WeakPolarHBondContact O-CB 3.32Å; C114-S118 PolarHBondContact O-N 2.75Å; C114-S118 PolarHBondContact O-OG 3.2Å
115E87.9Confident84.6Confident92 Ų9255.5 Ų55.543%0.4328%0.282SS..Hα-helixtrans-62.9-32.8176.9-164-153.7150.500112.5D111 I113 S118 K119D111-E115 WeakPolarHBondContact O-CB 3.49Å; D111-E115 PolarHBondContact O-N 3.31Å; I113-E115 PolarHBondContact O-N 3.12Å; E115-S118 WeakPolarHBondContact CA-OG 3.46Å; E115-S118 PolarHBondContact O-OG 3.04Å; E115-K119 WeakPolarHBondContact O-CG 2.91Å; E115-K119 WeakPolarHBondContact OE1-CE 3.48Å; E115-K119 IonicContact OE1-NZ 2.68Å; E115-K119 PolarHBondContact OE1-NZ 2.95Å
116R86.7Confident83.4Confident133 Ų13360.3 Ų60.350%0.50230%0.304SS..Hα-helixtrans-73.9-41.1175.6-70.3-73.6178.9175.61.7111.3V56 R112 I113 C114 S118 K119V56-R116 HydrophobicContact CG2-CB 3.67Å; R112-R116 WeakPolarHBondContact O-CG 3.5Å; R112-R116 PolarHBondContact O-N 3.18Å; I113-R116 PolarHBondContact O-N 3.43Å; C114-R116 VanDerWaalsContact C-N 3.27Å; C114-R116 PolarHBondContact O-N 3Å; R116-S118 VanDerWaalsContact C-N 3.31Å; R116-K119 PolarHBondContact O-N 3.01Å
117L87.8Confident82Confident0 Ų063.9 Ų63.90%033%0.326CS..Hα-helixtrans-66.8-33.8176.1-64.9168.4000111.7W19 M24 R27 W50 L51 A54 V56 L91 I113 C114 K119 L120W19-L117 HydrophobicContact CZ3-CD1 4.07Å; M24-L117 HydrophobicContact SD-CB 4.42Å; R27-L117 PolarHBondContact NH1-O 2.82Å; W50-L117 HydrophobicContact CD2-CD2 3.95Å; W50-L117 HydrophobicContact CG-CD2 4.17Å; W50-L117 HydrophobicContact CH2-CD1 4.38Å; W50-L117 HydrophobicContact CZ2-CB 4.36Å; W50-L117 HydrophobicContact CZ2-CD1 4.23Å; W50-L117 HydrophobicContact CZ2-CD2 4Å; W50-L117 HydrophobicContact CZ2-CG 4.42Å; L51-L117 HydrophobicContact CD2-CD2 4.05Å; A54-L117 HydrophobicContact CB-CD2 3.57Å; A54-L117 HydrophobicContact CB-CG 4.36Å; V56-L117 HydrophobicContact CG2-CD2 4.24Å; V56-L117 HydrophobicContact CG2-CG 4.27Å; L91-L117 HydrophobicContact CD1-CD1 3.96Å; L91-L117 HydrophobicContact CD2-CD1 3.95Å; I113-L117 HydrophobicContact CG2-CD1 3.73Å; I113-L117 HydrophobicContact CG2-CG 4.34Å; I113-L117 VanDerWaalsContact O-CG 3.28Å; I113-L117 WeakPolarHBondContact O-CG 3.32Å; I113-L117 PolarHBondContact O-N 3.34Å; C114-L117 PolarHBondContact O-N 3.02Å; L117-K119 PolarHBondContact O-N 2.99Å; L117-L120 PolarHBondContact O-N 3.32Å
118S84.3Confident80.4Confident40 Ų4065.9 Ų65.928%0.2835%0.351SS..THydrogen-bonded Turntrans-72.7-12.617973.30000114.2R27 C114 E115 R116 L120R27-S118 VanDerWaalsContact CZ-O 3.3Å; R27-S118 VanDerWaalsContact NH1-CA 3.3Å; R27-S118 PolarHBondContact NH1-O 2.63Å; R27-S118 PolarHBondContact NH2-O 3.06Å; C114-S118 WeakPolarHBondContact O-CB 3.32Å; C114-S118 PolarHBondContact O-N 2.75Å; C114-S118 PolarHBondContact O-OG 3.2Å; E115-S118 WeakPolarHBondContact CA-OG 3.46Å; E115-S118 PolarHBondContact O-OG 3.04Å; R116-S118 VanDerWaalsContact C-N 3.31Å; S118-L120 VanDerWaalsContact C-N 3.35Å
119K82.1Confident79Confident131 Ų13166.4 Ų66.457%0.5736%0.36SS*.THydrogen-bonded Turntrans-84.5-11173.4-71.4170.8-171.81730113.3E115 R116 L117E115-K119 WeakPolarHBondContact O-CG 2.91Å; E115-K119 WeakPolarHBondContact OE1-CE 3.48Å; E115-K119 IonicContact OE1-NZ 2.68Å; E115-K119 PolarHBondContact OE1-NZ 2.95Å; R116-K119 PolarHBondContact O-N 3.01Å; L117-K119 PolarHBondContact O-N 2.99Å
120L81.4Confident77.7Confident21 Ų2175.2 Ų75.211%0.1140%0.399CS..  trans-105.7114.8-173.8-170.571.7000111.6R27 F31 D53 A54 L117 S118 G122R27-L120 WeakPolarHBondContact CD-O 3.42Å; R27-L120 PolarHBondContact NH1-O 3.4Å; F31-L120 HydrophobicContact CE2-CD2 3.69Å; F31-L120 HydrophobicContact CE2-CG 4.39Å; F31-L120 HydrophobicContact CZ-CD2 3.41Å; F31-L120 VanDerWaalsContact CZ-CD2 3.41Å; F31-L120 HydrophobicContact CZ-CG 4.3Å; D53-L120 HydrophobicContact CB-CD1 4.21Å; D53-L120 HydrophobicContact CB-CD2 3.65Å; A54-L120 HydrophobicContact CB-CD2 4.14Å; L117-L120 PolarHBondContact O-N 3.32Å; S118-L120 VanDerWaalsContact C-N 3.35Å; L120-G122 WeakPolarHBondContact CD1-O 3.34Å; L120-G122 WeakPolarHBondContact CG-O 3.31Å
121E76.1Confident76.3Confident166 Ų16681 Ų8178%0.77643%0.434SS*.  trans-78.9-24179.4-64.4-175.9164.800113.1L30L30-E121 WeakPolarHBondContact CD1-O 3.43Å
122G80.1Confident75Confident18 Ų1886 Ų8619%0.18647%0.466CS..SBendtrans-177.7179.3-178.500000114.5L120 T124L120-G122 WeakPolarHBondContact CD1-O 3.34Å; L120-G122 WeakPolarHBondContact CG-O 3.31Å; G122-T124 PolarHBondContact O-N 2.98Å
123P80.1Confident73.8Confident33 Ų3385.2 Ų85.221%0.21448%0.476CS..  trans-65.2126.3-179.224.9-32.3000111.4F31 F34 V125F31-P123 HydrophobicContact CD1-CB 4.17Å; F31-P123 HydrophobicContact CE1-CB 3.72Å; F31-P123 VanDerWaalsContact CZ-CA 3.42Å; F31-P123 HydrophobicContact CZ-CB 3.98Å; F34-P123 HydrophobicContact CD2-CB 3.51Å; F34-P123 HydrophobicContact CD2-CG 3.5Å; F34-P123 HydrophobicContact CE2-CB 3.78Å; F34-P123 HydrophobicContact CE2-CG 4.05Å; F34-P123 HydrophobicContact CG-CB 4.07Å; F34-P123 HydrophobicContact CG-CG 4.27Å; P123-V125 PolarHBondContact O-N 3.12Å
124T76.6Confident72.5Confident58 Ų5892.3 Ų92.336%0.35651%0.506SS..  trans-75.6126.8177.8-61.30000109.6K49 D53 G122 N126K49-T124 PolarHBondContact NZ-O 3.17Å; D53-T124 PolarHBondContact OD2-N 3.12Å; G122-T124 PolarHBondContact O-N 2.98Å; T124-N126 HydrophobicContact CG2-CB 4.27Å
125V74.8Confident72Confident109 Ų10994.5 Ų94.566%0.66153%0.53SS*.  trans-103.3-17177.9-169.60000111.9F34 P123 T127F34-V125 HydrophobicContact CE2-CG2 4.44Å; P123-V125 PolarHBondContact O-N 3.12Å; V125-T127 PolarHBondContact O-N 2.82Å
126N63.7Low71.6Confident155 Ų15594.1 Ų94.183%0.82953%0.533SS*.SBendtrans-66.8-15.4-166.8-66.6-8.5000115.1T124T124-N126 HydrophobicContact CG2-CB 4.27Å
127T57.7Low71.3Confident108 Ų10891.6 Ų91.666%0.66353%0.533SS*.SBendtrans-124108.9176.6-50.90000108.6V125 T129V125-T127 PolarHBondContact O-N 2.82Å; T127-T129 PolarHBondContact O-N 2.88Å
128A53.6Low71.1Confident91 Ų9195.6 Ų95.675%0.75255%0.554SS**  trans-54109.8172.900000109.2K130A128-K130 PolarHBondContact O-N 3.45Å
129T58.8Low71.1Confident108 Ų108101.2 Ų101.266%0.66357%0.569SS**  trans-63.2111.2177.7-440000107.8T127 T131T127-T129 PolarHBondContact O-N 2.88Å; T129-T131 PolarHBondContact O-N 3.23Å
130K58.7Low71.2Confident195 Ų195100.6 Ų100.685%0.84857%0.571SS**  trans-63.1109.3174.8-68.6-175.4-179.9-179.60108.1A128 V132A128-K130 PolarHBondContact O-N 3.45Å; K130-V132 PolarHBondContact O-N 2.93Å
131T60Low71.4Confident121 Ų121103.3 Ų103.374%0.74259%0.589SS**  trans-64.4118.117546.90000109.4T129 A133T129-T131 PolarHBondContact O-N 3.23Å; T131-A133 PolarHBondContact O-N 3.22Å
132V62.3Low71.8Confident143 Ų14397.6 Ų97.687%0.86756%0.564SS**  trans-79.270.2172.6-171.30000108.7K130K130-V132 PolarHBondContact O-N 2.93Å
133A61.4Low72.2Confident61 Ų6197.6 Ų97.650%0.50456%0.56SS.*  trans-83-16.9177.400000112.8T131 G135T131-A133 PolarHBondContact O-N 3.22Å; A133-G135 PolarHBondContact O-N 3.37Å
134K61.3Low72.5Confident152 Ų15299.5 Ų99.566%0.66157%0.574SS**Hα-helixtrans-67.8-41.7-161.4-167.5163.9-176.7-178.10113.8V136 D138K134-V136 PolarHBondContact O-N 3.46Å; K134-D138 WeakPolarHBondContact CE-OD2 3.24Å; K134-D138 WeakPolarHBondContact CG-OD2 3.49Å; K134-D138 VanDerWaalsContact O-CB 3.24Å; K134-D138 WeakPolarHBondContact O-CB 3.33Å; K134-D138 PolarHBondContact O-N 3.41Å; K134-D138 VanDerWaalsContact O-N 3.07Å
135G75.7Confident73Confident50 Ų50103.3 Ų103.352%0.51559%0.586SS.*Hα-helixtrans-68.8-31.8-171.900000116.3A133 R139A133-G135 PolarHBondContact O-N 3.37Å; G135-R139 WeakPolarHBondContact O-CB 3.42Å; G135-R139 PolarHBondContact O-N 2.95Å
136V79.8Confident73.7Confident83 Ų83101.2 Ų101.250%0.50357%0.567SS.*Hα-helixtrans-80.9-44.7-177.9178.70000110.9K134 R139 L140K134-V136 PolarHBondContact O-N 3.46Å; V136-R139 PolarHBondContact O-N 2.97Å; V136-L140 HydrophobicContact CG1-CD1 3.85Å; V136-L140 HydrophobicContact CG1-CG 4.42Å; V136-L140 WeakPolarHBondContact O-CG 3.14Å; V136-L140 PolarHBondContact O-N 2.89Å
137V81.9Confident74.9Confident81 Ų8199.4 Ų99.449%0.49156%0.561SS.*Hα-helixtrans-64.2-49.2178.7-179.70000109.6R139 L140 T141V137-R139 PolarHBondContact O-N 3.06Å; V137-R139 VanDerWaalsContact O-N 3.16Å; V137-L140 PolarHBondContact O-N 3.16Å; V137-T141 HydrophobicContact CG1-CG2 4.12Å; V137-T141 PolarHBondContact O-N 3.46Å; V137-T141 PolarHBondContact O-OG1 3.07Å
138D81.9Confident76.2Confident83 Ų8397.1 Ų97.144%0.44456%0.559SS.*Hα-helixtrans-53.9-40.7179.3-72.1-0.6000111.7K134 D142K134-D138 WeakPolarHBondContact CE-OD2 3.24Å; K134-D138 WeakPolarHBondContact CG-OD2 3.49Å; K134-D138 VanDerWaalsContact O-CB 3.24Å; K134-D138 WeakPolarHBondContact O-CB 3.33Å; K134-D138 PolarHBondContact O-N 3.41Å; K134-D138 VanDerWaalsContact O-N 3.07Å; D138-D142 WeakPolarHBondContact O-CB 3.24Å; D138-D142 PolarHBondContact O-N 3.14Å
139R84.4Confident77.7Confident158 Ų15896.9 Ų96.960%0.59655%0.552SS**Hα-helixtrans-70.4-38.7177.5-174.4-178.966.5-142-1.2113.1G135 V136 V137G135-R139 WeakPolarHBondContact O-CB 3.42Å; G135-R139 PolarHBondContact O-N 2.95Å; V136-R139 PolarHBondContact O-N 2.97Å; V137-R139 PolarHBondContact O-N 3.06Å; V137-R139 VanDerWaalsContact O-N 3.16Å
140L85Confident78.9Confident118 Ų11895.9 Ų95.962%0.61854%0.54SS*.Hα-helixtrans-77.7-23.2-177.9-71175.9000112.7V136 V137V136-L140 HydrophobicContact CG1-CD1 3.85Å; V136-L140 HydrophobicContact CG1-CG 4.42Å; V136-L140 WeakPolarHBondContact O-CG 3.14Å; V136-L140 PolarHBondContact O-N 2.89Å; V137-L140 PolarHBondContact O-N 3.16Å
141T84.8Confident80.2Confident79 Ų7992.2 Ų92.249%0.48552%0.524SS..SBendtrans-108.113.2-179.962.90000113.3V137 V143V137-T141 HydrophobicContact CG1-CG2 4.12Å; V137-T141 PolarHBondContact O-N 3.46Å; V137-T141 PolarHBondContact O-OG1 3.07Å; T141-V143 PolarHBondContact O-N 2.96Å
142D86.2Confident81.4Confident45 Ų4591.7 Ų91.724%0.24151%0.513CS..  trans-69.992.7177.8-175-1.3000110.5D138 S144 K145D138-D142 WeakPolarHBondContact O-CB 3.24Å; D138-D142 PolarHBondContact O-N 3.14Å; D142-S144 VanDerWaalsContact CG-OG 3.32Å; D142-S144 PolarHBondContact O-N 3.17Å; D142-S144 VanDerWaalsContact O-N 3.17Å; D142-S144 VanDerWaalsContact OD1-CB 3.31Å; D142-S144 WeakPolarHBondContact OD1-CB 3.4Å; D142-S144 PolarHBondContact OD1-N 3.2Å; D142-S144 PolarHBondContact OD1-OG 3.39Å; D142-S144 PolarHBondContact OD2-OG 3.15Å; D142-K145 HydrophobicContact CB-CD 4.39Å; D142-K145 PolarHBondContact O-N 2.81Å; D142-K145 VanDerWaalsContact O-N 3.14Å; D142-K145 WeakPolarHBondContact OD2-CD 3.26Å; D142-K145 WeakPolarHBondContact OD2-CE 3.3Å; D142-K145 IonicContact OD2-NZ 2.78Å; D142-K145 PolarHBondContact OD2-NZ 3.47Å
143V88Confident82.5Confident18 Ų1888.6 Ų88.611%0.10949%0.486CS..G310 helixtrans-61.6-21.4-179.5-63.90000113.1T141 K145 Y146 F154T141-V143 PolarHBondContact O-N 2.96Å; V143-K145 PolarHBondContact O-N 3.29Å; V143-Y146 HydrophobicContact CB-CD2 4.15Å; V143-Y146 HydrophobicContact CB-CE2 4.22Å; V143-Y146 HydrophobicContact CG1-CD2 4.1Å; V143-Y146 HydrophobicContact CG1-CE2 3.69Å; V143-Y146 WeakPolarHBondContact O-CB 3.16Å; V143-Y146 PolarHBondContact O-N 3.15Å; V143-Y146 VanDerWaalsContact O-N 3.1Å; V143-F154 HydrophobicContact CB-CB 4.31Å; V143-F154 HydrophobicContact CG1-CB 4.14Å; V143-F154 HydrophobicContact CG1-CD1 4.42Å; V143-F154 HydrophobicContact CG1-CG 4.36Å
144S86.1Confident83.7Confident73 Ų7388.4 Ų88.451%0.5147%0.474SS..G310 helixtrans-65.7-22.8178.577.10000112.2D142D142-S144 VanDerWaalsContact CG-OG 3.32Å; D142-S144 PolarHBondContact O-N 3.17Å; D142-S144 VanDerWaalsContact O-N 3.17Å; D142-S144 VanDerWaalsContact OD1-CB 3.31Å; D142-S144 WeakPolarHBondContact OD1-CB 3.4Å; D142-S144 PolarHBondContact OD1-N 3.2Å; D142-S144 PolarHBondContact OD1-OG 3.39Å; D142-S144 PolarHBondContact OD2-OG 3.15Å
145K87.8Confident84.9Confident138 Ų13883.7 Ų83.760%0.646%0.456SS*.G310 helixtrans-93.1-1.5177.7-66.9177.1-177.6139.30113.4D142 V143 T147D142-K145 HydrophobicContact CB-CD 4.39Å; D142-K145 PolarHBondContact O-N 2.81Å; D142-K145 VanDerWaalsContact O-N 3.14Å; D142-K145 WeakPolarHBondContact OD2-CD 3.26Å; D142-K145 WeakPolarHBondContact OD2-CE 3.3Å; D142-K145 IonicContact OD2-NZ 2.78Å; D142-K145 PolarHBondContact OD2-NZ 3.47Å; V143-K145 PolarHBondContact O-N 3.29Å; K145-T147 PolarHBondContact O-N 3.41Å
146Y88.7Confident85.3Confident66 Ų6684.8 Ų84.826%0.25945%0.452SS..  trans-69.3132.3177-70.31.3000110V143 H150 K151 F154V143-Y146 HydrophobicContact CB-CD2 4.15Å; V143-Y146 HydrophobicContact CB-CE2 4.22Å; V143-Y146 HydrophobicContact CG1-CD2 4.1Å; V143-Y146 HydrophobicContact CG1-CE2 3.69Å; V143-Y146 WeakPolarHBondContact O-CB 3.16Å; V143-Y146 PolarHBondContact O-N 3.15Å; V143-Y146 VanDerWaalsContact O-N 3.1Å; Y146-H150 HydrophobicContact CD2-CB 4.02Å; Y146-H150 HydrophobicContact CG-CB 4.13Å; Y146-K151 WeakPolarHBondContact O-CB 3.33Å; Y146-F154 HydrophobicContact CD2-CB 4.37Å; Y146-F154 AromaticContact CD2-CD2 3.62Å; Y146-F154 HydrophobicContact CD2-CD2 3.62Å; Y146-F154 HydrophobicContact CD2-CE2 4.15Å; Y146-F154 HydrophobicContact CD2-CG 4.12Å; Y146-F154 AromaticContact CE2-CD2 3.71Å; Y146-F154 HydrophobicContact CE2-CD2 3.71Å; Y146-F154 AromaticContact CE2-CE2 3.9Å; Y146-F154 HydrophobicContact CE2-CE2 3.9Å; Y146-F154 HydrophobicContact CE2-CG 4.09Å; Y146-F154 HydrophobicContact CE2-CZ 4.43Å
147T88.7Confident85.4Confident116 Ų11689.1 Ų89.171%0.71247%0.467SS*.  trans-115.8169.1-18062.40000111K145 H150K145-T147 PolarHBondContact O-N 3.41Å; T147-H150 PolarHBondContact O-N 3.37Å
148G86.3Confident85.4Confident61 Ų6189.2 Ų89.263%0.62947%0.468SS*.THydrogen-bonded Turntrans57.1-139.217900000112.8H150 K151G148-H150 PolarHBondContact O-N 3.26Å; G148-H150 VanDerWaalsContact O-N 3.11Å; G148-K151 WeakPolarHBondContact O-CB 3.19Å; G148-K151 PolarHBondContact O-N 3.1Å; G148-K151 VanDerWaalsContact O-N 3.1Å
149S83.5Confident85.5Confident85 Ų8586.8 Ų86.859%0.59446%0.463SS*.Hα-helixtrans-60.5-21.2-178.656.40000114.4R153S149-R153 WeakPolarHBondContact O-CD 3.34Å; S149-R153 WeakPolarHBondContact O-CG 3.5Å; S149-R153 PolarHBondContact O-N 3.36Å
150H85.3Confident85.5Confident88 Ų8886.7 Ų86.741%0.40747%0.466SS..Hα-helixtrans-74.3-31.4177.5-69.9157.5000112.4Y146 T147 G148 E152 R153 F154Y146-H150 HydrophobicContact CD2-CB 4.02Å; Y146-H150 HydrophobicContact CG-CB 4.13Å; T147-H150 PolarHBondContact O-N 3.37Å; G148-H150 PolarHBondContact O-N 3.26Å; G148-H150 VanDerWaalsContact O-N 3.11Å; H150-E152 VanDerWaalsContact C-N 3.27Å; H150-E152 PolarHBondContact O-N 3.24Å; H150-R153 PolarHBondContact O-N 3.47Å; H150-R153 VanDerWaalsContact O-N 3.15Å; H150-F154 WeakPolarHBondContact O-CD2 3.37Å; H150-F154 PolarHBondContact O-N 3.41Å
151K86.3Confident85.6Confident118 Ų11883.4 Ų83.451%0.51346%0.461SS..Hα-helixtrans-60.7-39176.4-169.2178.1178.5-178.20112Y146 G148 R153Y146-K151 WeakPolarHBondContact O-CB 3.33Å; G148-K151 WeakPolarHBondContact O-CB 3.19Å; G148-K151 PolarHBondContact O-N 3.1Å; G148-K151 VanDerWaalsContact O-N 3.1Å; K151-R153 VanDerWaalsContact C-N 3.35Å
152E84Confident85.5Confident110 Ų11083.9 Ų83.951%0.51446%0.457SS..Hα-helixtrans-74.1-28.9178.2-60.9-48131.500112.5H150 K162 G166H150-E152 VanDerWaalsContact C-N 3.27Å; H150-E152 PolarHBondContact O-N 3.24Å; E152-K162 WeakPolarHBondContact O-CD 3.31Å; E152-G166 CarbonylContact C-O 3.53Å; E152-G166 WeakPolarHBondContact O-CA 3.43Å
153R86.4Confident85.4Confident77 Ų7783.8 Ų83.829%0.29147%0.466SS..Hα-helixtrans-79.7-22.2-175.8-73.8172.465.1179.80.1114.6S149 H150 K151 G161 K162 G166 R167S149-R153 WeakPolarHBondContact O-CD 3.34Å; S149-R153 WeakPolarHBondContact O-CG 3.5Å; S149-R153 PolarHBondContact O-N 3.36Å; H150-R153 PolarHBondContact O-N 3.47Å; H150-R153 VanDerWaalsContact O-N 3.15Å; K151-R153 VanDerWaalsContact C-N 3.35Å; R153-G161 CarbonylContact O-C 3.57Å; R153-G161 VanDerWaalsContact O-CA 3.24Å; R153-G161 WeakPolarHBondContact O-CA 3.37Å; R153-K162 PolarHBondContact O-N 2.77Å; R153-G166 WeakPolarHBondContact CG-O 2.74Å; R153-R167 HydrophobicContact CG-CG 4.09Å; R153-R167 VanDerWaalsContact NH2-NH2 3.16Å
154F86.8Confident85Confident58 Ų5889.6 Ų89.625%0.25449%0.49SS..BIsolated β-bridgetrans-121.2141.2-176.1-66.1-87000111.3V143 Y146 H150 K160 K162V143-F154 HydrophobicContact CB-CB 4.31Å; V143-F154 HydrophobicContact CG1-CB 4.14Å; V143-F154 HydrophobicContact CG1-CD1 4.42Å; V143-F154 HydrophobicContact CG1-CG 4.36Å; Y146-F154 HydrophobicContact CD2-CB 4.37Å; Y146-F154 AromaticContact CD2-CD2 3.62Å; Y146-F154 HydrophobicContact CD2-CD2 3.62Å; Y146-F154 HydrophobicContact CD2-CE2 4.15Å; Y146-F154 HydrophobicContact CD2-CG 4.12Å; Y146-F154 AromaticContact CE2-CD2 3.71Å; Y146-F154 HydrophobicContact CE2-CD2 3.71Å; Y146-F154 AromaticContact CE2-CE2 3.9Å; Y146-F154 HydrophobicContact CE2-CE2 3.9Å; Y146-F154 HydrophobicContact CE2-CG 4.09Å; Y146-F154 HydrophobicContact CE2-CZ 4.43Å; H150-F154 WeakPolarHBondContact O-CD2 3.37Å; H150-F154 PolarHBondContact O-N 3.41Å; F154-K160 WeakPolarHBondContact CA-O 3.13Å; F154-K162 VanDerWaalsContact O-CE 3.27Å; F154-K162 WeakPolarHBondContact O-CE 3.36Å
155D84.9Confident84.6Confident53 Ų5389.2 Ų89.228%0.28349%0.491SS..  trans-78.9127170.51775.3000109.3E157 T158 G159 K160 K162D155-E157 VanDerWaalsContact C-N 3.32Å; D155-E157 PolarHBondContact O-N 3.49Å; D155-E157 PolarHBondContact OD1-N 2.79Å; D155-T158 WeakPolarHBondContact CB-OG1 3.46Å; D155-T158 VanDerWaalsContact CG-OG1 3.28Å; D155-T158 VanDerWaalsContact OD2-CG2 3.31Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.27Å; D155-T158 PolarHBondContact OD2-OG1 2.85Å; D155-G159 VanDerWaalsContact O-CA 3.26Å; D155-G159 WeakPolarHBondContact O-CA 3.31Å; D155-G159 PolarHBondContact O-N 2.56Å; D155-K160 PolarHBondContact N-O 3.01Å; D155-K162 HydrophobicContact CB-CG 4.21Å
156V85.2Confident84.2Confident73 Ų7383 Ų8344%0.44247%0.467SS..THydrogen-bonded Turntrans-68.1-33.5-175.9179.10000111.4
157E81.5Confident83.8Confident173 Ų17388.3 Ų88.381%0.80849%0.486SS*.THydrogen-bonded Turntrans-78.8-42.6-176.9-66.3-63.6140.200111.6D155D155-E157 VanDerWaalsContact C-N 3.32Å; D155-E157 PolarHBondContact O-N 3.49Å; D155-E157 PolarHBondContact OD1-N 2.79Å
158T82.7Confident83.2Confident83 Ų8387.8 Ų87.851%0.50948%0.476SS..THydrogen-bonded Turntrans-98.3-17.1-173.865.40000114D155 K160D155-T158 WeakPolarHBondContact CB-OG1 3.46Å; D155-T158 VanDerWaalsContact CG-OG1 3.28Å; D155-T158 VanDerWaalsContact OD2-CG2 3.31Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.27Å; D155-T158 PolarHBondContact OD2-OG1 2.85Å; T158-K160 PolarHBondContact O-N 3.47Å; T158-K160 VanDerWaalsContact O-N 3.15Å; T158-K160 PolarHBondContact OG1-N 3.18Å
159G83.3Confident82.5Confident33 Ų3392.2 Ų92.234%0.3449%0.485SS..  trans70.4-1.8-17200000114.5D155D155-G159 VanDerWaalsContact O-CA 3.26Å; D155-G159 WeakPolarHBondContact O-CA 3.31Å; D155-G159 PolarHBondContact O-N 2.56Å
160K84.3Confident81.8Confident155 Ų15593.7 Ų93.767%0.67449%0.485SS*.  trans-82.3150.6-177.7-66.1-176.2178178.30110.5F154 D155 T158 K162F154-K160 WeakPolarHBondContact CA-O 3.13Å; D155-K160 PolarHBondContact N-O 3.01Å; T158-K160 PolarHBondContact O-N 3.47Å; T158-K160 VanDerWaalsContact O-N 3.15Å; T158-K160 PolarHBondContact OG1-N 3.18Å; K160-K162 PolarHBondContact O-N 2.87Å
161G86.6Confident81Confident50 Ų5094.7 Ų94.752%0.51550%0.497SS..BIsolated β-bridgetrans-66.9132.8172.300000110.8R153 G163R153-G161 CarbonylContact O-C 3.57Å; R153-G161 VanDerWaalsContact O-CA 3.24Å; R153-G161 WeakPolarHBondContact O-CA 3.37Å; G161-G163 PolarHBondContact O-N 3.49Å
162K83.9Confident80.1Confident89 Ų8995.5 Ų95.539%0.38750%0.503SS..  trans-69.15.5175.9-60-171.3-167.1156.40113.8E152 R153 F154 D155 K160 K164 A165E152-K162 WeakPolarHBondContact O-CD 3.31Å; R153-K162 PolarHBondContact O-N 2.77Å; F154-K162 VanDerWaalsContact O-CE 3.27Å; F154-K162 WeakPolarHBondContact O-CE 3.36Å; D155-K162 HydrophobicContact CB-CG 4.21Å; K160-K162 PolarHBondContact O-N 2.87Å; K162-K164 PolarHBondContact O-N 3.11Å; K162-A165 PolarHBondContact O-N 3.04Å
163G84.2Confident79.4Confident43 Ų4399.7 Ų99.744%0.44352%0.522SS..G310 helixtrans58.7-131.9-179.200000112.2G161 A165 G166G161-G163 PolarHBondContact O-N 3.49Å; G163-A165 VanDerWaalsContact C-N 3.33Å; G163-A165 PolarHBondContact O-N 3.07Å; G163-G166 PolarHBondContact O-N 3.1Å
164K79.4Confident78.7Confident139 Ų13998 Ų9860%0.60452%0.523SS*.G310 helixtrans-61.2-39.8179.8-167175.2-179-179.40112.2K162 G166 R167 E168K162-K164 PolarHBondContact O-N 3.11Å; K164-G166 PolarHBondContact O-N 2.96Å; K164-R167 PolarHBondContact O-N 3.21Å; K164-E168 VanDerWaalsContact CE-OE1 3.3Å; K164-E168 WeakPolarHBondContact CE-OE1 3.06Å; K164-E168 WeakPolarHBondContact CE-OE2 3.36Å; K164-E168 HydrophobicContact CG-CB 4.47Å; K164-E168 HydrophobicContact CG-CG 4.3Å; K164-E168 IonicContact NZ-OE2 3.63Å; K164-E168 PolarHBondContact O-N 3.3Å
165A77.9Confident78.1Confident65 Ų6599 Ų9954%0.53755%0.549SS..G310 helixtrans-63.8-22.6-178.500000114K162 G163 I170K162-A165 PolarHBondContact O-N 3.04Å; G163-A165 VanDerWaalsContact C-N 3.33Å; G163-A165 PolarHBondContact O-N 3.07Å; A165-I170 HydrophobicContact CB-CD1 4.25Å
166G77.9Confident77.4Confident8 Ų8101.5 Ų101.58%0.08256%0.555CS.*G310 helixtrans-96.51.6176.100000114.9E152 R153 G163 K164E152-G166 CarbonylContact C-O 3.53Å; E152-G166 WeakPolarHBondContact O-CA 3.43Å; R153-G166 WeakPolarHBondContact CG-O 2.74Å; G163-G166 PolarHBondContact O-N 3.1Å; K164-G166 PolarHBondContact O-N 2.96Å
167R80.1Confident77.1Confident178 Ų178103.5 Ų103.567%0.67257%0.567SS**THydrogen-bonded Turntrans-122.8-24.1-177.7-65.9-174.3-173.6-146.67.3113.2R153 K164R153-R167 HydrophobicContact CG-CG 4.09Å; R153-R167 VanDerWaalsContact NH2-NH2 3.16Å; K164-R167 PolarHBondContact O-N 3.21Å
168E77.4Confident76.6Confident105 Ų105101 Ų10149%0.49157%0.569SS.*SBendtrans-120.1136-179.5-66.6179.6-153.500109.6K164 I170K164-E168 VanDerWaalsContact CE-OE1 3.3Å; K164-E168 WeakPolarHBondContact CE-OE1 3.06Å; K164-E168 WeakPolarHBondContact CE-OE2 3.36Å; K164-E168 HydrophobicContact CG-CB 4.47Å; K164-E168 HydrophobicContact CG-CG 4.3Å; K164-E168 IonicContact NZ-OE2 3.63Å; K164-E168 PolarHBondContact O-N 3.3Å; E168-I170 PolarHBondContact O-N 3.17Å
169D71.9Confident76.4Confident153 Ų153101.7 Ų101.782%0.81858%0.577SS**  trans-75.3100.9168-171.611.4000108.2V171D169-V171 PolarHBondContact O-N 3.05Å
170I68.3Low76.1Confident116 Ų116105.5 Ų105.560%0.59558%0.582SS**  trans-77.295.9-178.2-56.5174.9000108.1A165 E168 E172A165-I170 HydrophobicContact CB-CD1 4.25Å; E168-I170 PolarHBondContact O-N 3.17Å; I170-E172 PolarHBondContact O-N 3.46Å
171V67.9Low75.9Confident109 Ų109107.4 Ų107.466%0.66159%0.591SS**  trans-71.4123.5172.8-176.50000109.5D169 Q173D169-V171 PolarHBondContact O-N 3.05Å; V171-Q173 PolarHBondContact O-N 2.83Å; V171-Q173 VanDerWaalsContact O-N 3.11Å
172E67.3Low75.3Confident136 Ų136109.3 Ų109.364%0.63659%0.589SS**  trans-63.5112170.7-75-164.4179.200110.4I170 S174 K183I170-E172 PolarHBondContact O-N 3.46Å; E172-S174 PolarHBondContact O-N 3.11Å; E172-K183 IonicContact OE2-NZ 2.83Å; E172-K183 PolarHBondContact OE2-NZ 2.84Å
173Q69.8Low74.9Confident197 Ų197110 Ų11092%0.92159%0.592SS**  trans-74.742174.5-65.3-172.3-37.300113V171 G175V171-Q173 PolarHBondContact O-N 2.83Å; V171-Q173 VanDerWaalsContact O-N 3.11Å; Q173-G175 PolarHBondContact O-N 3.38Å
174S71.8Confident74.4Confident43 Ų43110.3 Ų110.330%0.30160%0.595SS.*SBendtrans-82.31.5-178.8680000114.1E172 Y176 K183E172-S174 PolarHBondContact O-N 3.11Å; S174-Y176 WeakPolarHBondContact O-CD2 3.18Å; S174-Y176 PolarHBondContact O-N 3.21Å; S174-K183 PolarHBondContact OG-NZ 3.35Å
175G73Confident74.3Confident79 Ų79106.1 Ų106.181%0.81458%0.581SS**SBendtrans74.7-6.8-174.200000114.2Q173Q173-G175 PolarHBondContact O-N 3.38Å
176Y72.1Confident74.2Confident105 Ų105110.5 Ų110.541%0.41259%0.585SS.*SBendtrans-97.9139.4176.6-62.9-76.2000111.1S174 Y180 K183S174-Y176 WeakPolarHBondContact O-CD2 3.18Å; S174-Y176 PolarHBondContact O-N 3.21Å; Y176-Y180 AromaticContact CD1-CD1 3.23Å; Y176-Y180 HydrophobicContact CD1-CD1 3.23Å; Y176-Y180 AromaticContact CD1-CE1 3.42Å; Y176-Y180 HydrophobicContact CD1-CE1 3.42Å; Y176-Y180 VanDerWaalsContact CD1-CE1 3.42Å; Y176-Y180 AromaticContact CD1-CG 3.99Å; Y176-Y180 HydrophobicContact CD1-CG 3.99Å; Y176-Y180 AromaticContact CE1-CD1 3.8Å; Y176-Y180 HydrophobicContact CE1-CD1 3.8Å; Y176-Y180 AromaticContact CE1-CE1 3.45Å; Y176-Y180 HydrophobicContact CE1-CE1 3.45Å; Y176-Y180 VanDerWaalsContact CE1-CE1 3.45Å; Y176-Y180 AromaticContact CG-CD1 3.89Å; Y176-Y180 HydrophobicContact CG-CD1 3.89Å; Y176-Y180 HydrophobicContact CG-CE1 4.39Å; Y176-K183 HydrophobicContact CD2-CB 4.24Å; Y176-K183 HydrophobicContact CD2-CD 3.96Å; Y176-K183 HydrophobicContact CD2-CG 3.78Å; Y176-K183 HydrophobicContact CE2-CB 4.39Å; Y176-K183 HydrophobicContact CE2-CD 4.45Å; Y176-K183 HydrophobicContact CE2-CG 3.83Å
177V77Confident74.1Confident114 Ų114116.1 Ų116.169%0.69161%0.613SS**  trans-66.9147172.1179.10000109.5S179 Y180V177-S179 PolarHBondContact O-N 3.23Å; V177-Y180 VanDerWaalsContact O-CB 3.31Å; V177-Y180 WeakPolarHBondContact O-CB 3.31Å; V177-Y180 PolarHBondContact O-N 3.39Å
178S72.4Confident73.7Confident121 Ų121116 Ų11685%0.84662%0.617SS**THydrogen-bonded Turntrans-51.7-25.6-174.859.40000115.6
179S77.9Confident73.7Confident98 Ų98116.1 Ų116.169%0.68563%0.625SS**THydrogen-bonded Turntrans-91-3.2-179.3-60.60000114.4V177 K181V177-S179 PolarHBondContact O-N 3.23Å; S179-K181 PolarHBondContact O-N 2.91Å
180Y78Confident73.6Confident113 Ų113113.9 Ų113.944%0.44361%0.61SS.*  trans-80.1114.1-175.1-171.9-102000111.8Y176 V177 N182Y176-Y180 AromaticContact CD1-CD1 3.23Å; Y176-Y180 HydrophobicContact CD1-CD1 3.23Å; Y176-Y180 AromaticContact CD1-CE1 3.42Å; Y176-Y180 HydrophobicContact CD1-CE1 3.42Å; Y176-Y180 VanDerWaalsContact CD1-CE1 3.42Å; Y176-Y180 AromaticContact CD1-CG 3.99Å; Y176-Y180 HydrophobicContact CD1-CG 3.99Å; Y176-Y180 AromaticContact CE1-CD1 3.8Å; Y176-Y180 HydrophobicContact CE1-CD1 3.8Å; Y176-Y180 AromaticContact CE1-CE1 3.45Å; Y176-Y180 HydrophobicContact CE1-CE1 3.45Å; Y176-Y180 VanDerWaalsContact CE1-CE1 3.45Å; Y176-Y180 AromaticContact CG-CD1 3.89Å; Y176-Y180 HydrophobicContact CG-CD1 3.89Å; Y176-Y180 HydrophobicContact CG-CE1 4.39Å; V177-Y180 VanDerWaalsContact O-CB 3.31Å; V177-Y180 WeakPolarHBondContact O-CB 3.31Å; V177-Y180 PolarHBondContact O-N 3.39Å; Y180-N182 HydrophobicContact CE1-CB 3.76Å; Y180-N182 HydrophobicContact CE2-CB 4.36Å
181K78.4Confident73.7Confident195 Ų195117.5 Ų117.585%0.84862%0.621SS**  trans-88.8-10.7-172.7-61.2-177.1-179.2-179.40115S179S179-K181 PolarHBondContact O-N 2.91Å
182N75.5Confident73.7Confident90 Ų90122.2 Ų122.248%0.48163%0.633SS.*  trans-103.525.4-170.1-64.1-29.2000113.1Y180 G184 T185Y180-N182 HydrophobicContact CE1-CB 3.76Å; Y180-N182 HydrophobicContact CE2-CB 4.36Å; N182-G184 PolarHBondContact O-N 2.94Å; N182-T185 HydrophobicContact CB-CG2 4.25Å; N182-T185 PolarHBondContact O-N 3.49Å; N182-T185 PolarHBondContact O-OG1 2.96Å
183K74.1Confident73.2Confident103 Ų103126.8 Ų126.845%0.44866%0.662SS.*THydrogen-bonded Turntrans-60.7128.5174.9-179.1175174.3-1780109.6E172 S174 Y176 T185E172-K183 IonicContact OE2-NZ 2.83Å; E172-K183 PolarHBondContact OE2-NZ 2.84Å; S174-K183 PolarHBondContact OG-NZ 3.35Å; Y176-K183 HydrophobicContact CD2-CB 4.24Å; Y176-K183 HydrophobicContact CD2-CD 3.96Å; Y176-K183 HydrophobicContact CD2-CG 3.78Å; Y176-K183 HydrophobicContact CE2-CB 4.39Å; Y176-K183 HydrophobicContact CE2-CD 4.45Å; Y176-K183 HydrophobicContact CE2-CG 3.83Å; K183-T185 PolarHBondContact O-N 3.37Å
184G74.9Confident73.3Confident50 Ų50123.3 Ų123.352%0.51565%0.649SS.*THydrogen-bonded Turntrans74.517.8177.900000115.7N182N182-G184 PolarHBondContact O-N 2.94Å
185T77.2Confident73.4Confident51 Ų51127.5 Ų127.531%0.31367%0.667SS.*  trans-90.7-15.6174.862.30000113.7N182 K183 D187 K188 V189N182-T185 HydrophobicContact CB-CG2 4.25Å; N182-T185 PolarHBondContact O-N 3.49Å; N182-T185 PolarHBondContact O-OG1 2.96Å; K183-T185 PolarHBondContact O-N 3.37Å; T185-D187 PolarHBondContact O-N 3.26Å; T185-K188 WeakPolarHBondContact O-CB 3.36Å; T185-K188 PolarHBondContact O-N 3.37Å; T185-V189 WeakPolarHBondContact O-CG2 3.37Å; T185-V189 PolarHBondContact O-N 3.23Å
186Y74.7Confident73.4Confident156 Ų156130.2 Ų130.261%0.61266%0.659SS**Hα-helixtrans-55.8-49.2-174.4-173.5-92.9000113.2K188 V189 H190Y186-K188 PolarHBondContact O-N 3.01Å; Y186-V189 WeakPolarHBondContact O-CG2 3.37Å; Y186-V189 PolarHBondContact O-N 3.21Å; Y186-H190 AromaticContact CD2-ND1 3.9Å; Y186-H190 HydrophobicContact CE1-CB 4.44Å; Y186-H190 AromaticContact CE2-CE1 3.92Å; Y186-H190 AromaticContact CE2-ND1 3.78Å; Y186-H190 PolarHBondContact O-N 3.03Å; Y186-H190 PolarHBondContact O-ND1 3.31Å
187D75.5Confident73.5Confident127 Ų127131.7 Ų131.768%0.67967%0.673SS**Hα-helixtrans-69.8-19.3179.5-63.4-35.3000113T185T185-D187 PolarHBondContact O-N 3.26Å
188K73.4Confident73.3Confident174 Ų174132.8 Ų132.876%0.75767%0.672SS**Hα-helixtrans-78-31.4176.6-60.3-176.6-178177.20112T185 Y186T185-K188 WeakPolarHBondContact O-CB 3.36Å; T185-K188 PolarHBondContact O-N 3.37Å; Y186-K188 PolarHBondContact O-N 3.01Å
189V75.8Confident73.4Confident109 Ų109133.6 Ų133.666%0.66166%0.661SS**Hα-helixtrans-93.9-17.7178.5-75.20000113.4T185 Y186T185-V189 WeakPolarHBondContact O-CG2 3.37Å; T185-V189 PolarHBondContact O-N 3.23Å; Y186-V189 WeakPolarHBondContact O-CG2 3.37Å; Y186-V189 PolarHBondContact O-N 3.21Å
190H69.9Low73.1Confident106 Ų106136.1 Ų136.149%0.49166%0.659SS.*  trans-121.485.9177.7-58.186.9000110.5Y186 K192Y186-H190 AromaticContact CD2-ND1 3.9Å; Y186-H190 HydrophobicContact CE1-CB 4.44Å; Y186-H190 AromaticContact CE2-CE1 3.92Å; Y186-H190 AromaticContact CE2-ND1 3.78Å; Y186-H190 PolarHBondContact O-N 3.03Å; Y186-H190 PolarHBondContact O-ND1 3.31Å; H190-K192 PolarHBondContact O-N 3.28Å
191K70.6Confident72.7Confident192 Ų192137.9 Ų137.984%0.83568%0.676SS**  trans-69.9126.4165.7-91.3-177.2175.91780108.9N193K191-N193 PolarHBondContact O-N 3.45Å
192K68.2Low72.2Confident208 Ų208133.2 Ų133.290%0.90466%0.661SS**  trans-64.7118.8172.4-142.8174.9-175.3179.10108.1H190H190-K192 PolarHBondContact O-N 3.28Å
193N56.4Low71.9Confident232 Ų232137.1 Ų137.1100%1.24168%0.678SS**  trans-61.70168.6-79.1-8.9000111K191K191-N193 PolarHBondContact O-N 3.45Å

Retrieved 193 of 193 residues in 100 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).