G4VDF5_SCHMA Loading...

DNA replication complex GINS protein PSF1

Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex seems to bind preferentially to single-stranded DNA.

AlphaFold DB , UniProt , Accession G4VDF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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
1M49.7Very low85.4Confident187 Ų18764.1 Ų64.192%0.92132%0.315SS*.  0121.90-147.2-165.4-77.900106.2Q4M1-Q4 HydrophobicContact CB-CG 3.95Å; M1-Q4 WeakPolarHBondContact O-CG 3.47Å; M1-Q4 HydrophobicContact SD-CG 4.49Å
2L71.1Confident85.9Confident93 Ų9365.7 Ų65.749%0.48732%0.321SS..THydrogen-bonded Turntrans-80.5148.7-165.9-64.5146.6000111.3Q4 I80L2-Q4 PolarHBondContact O-N 2.72Å; L2-I80 HydrophobicContact CB-CD1 3.79Å; L2-I80 HydrophobicContact CB-CG1 3.95Å; L2-I80 HydrophobicContact CB-CG2 3.98Å; L2-I80 HydrophobicContact CD1-CD1 3.24Å; L2-I80 HydrophobicContact CD1-CG1 4.2Å; L2-I80 HydrophobicContact CD2-CD1 4.09Å; L2-I80 HydrophobicContact CG-CD1 3.83Å
3A77.7Confident86.4Confident1 Ų161.2 Ų61.21%0.00830%0.299CS..THydrogen-bonded Turntrans60.535.4-176.900000115.7S6 E35 I80 R83 N84A3-S6 PolarHBondContact O-OG 3.27Å; A3-E35 PolarHBondContact N-OE1 3.18Å; A3-I80 HydrophobicContact CB-CG2 4.39Å; A3-R83 HydrophobicContact CB-CG 4.16Å; A3-N84 WeakPolarHBondContact CA-OD1 3.5Å; A3-N84 WeakPolarHBondContact CB-OD1 3.38Å
4Q89.6Confident86.7Confident89 Ų8969.4 Ų69.442%0.41633%0.332SS..Hα-helixtrans-72.6-40.2178.2-83.3-179.4-26.700113.1M1 L2 S6 L7 Q8M1-Q4 HydrophobicContact CB-CG 3.95Å; M1-Q4 WeakPolarHBondContact O-CG 3.47Å; M1-Q4 HydrophobicContact SD-CG 4.49Å; L2-Q4 PolarHBondContact O-N 2.72Å; Q4-S6 PolarHBondContact O-N 2.95Å; Q4-L7 WeakPolarHBondContact O-CB 3.49Å; Q4-L7 PolarHBondContact O-N 3.28Å; Q4-Q8 WeakPolarHBondContact O-CG 3.47Å; Q4-Q8 PolarHBondContact O-N 2.8Å
5T92.4Very high87Confident30 Ų3078.7 Ų78.718%0.18436%0.363CS..Hα-helixtrans-63.2-41.7-176-50.70000111.8L7 Q8 L9 K28 I31T5-L7 VanDerWaalsContact C-N 3.33Å; T5-L7 PolarHBondContact O-N 3.37Å; T5-Q8 WeakPolarHBondContact O-CB 3.47Å; T5-Q8 PolarHBondContact O-N 3.18Å; T5-L9 PolarHBondContact O-N 3.36Å; T5-L9 VanDerWaalsContact O-N 3.16Å; T5-K28 HydrophobicContact CG2-CB 3.74Å; T5-K28 HydrophobicContact CG2-CG 3.89Å; T5-I31 HydrophobicContact CG2-CB 4.37Å; T5-I31 HydrophobicContact CG2-CG2 4.2Å
6S91.8Very high87Confident0 Ų075.5 Ų75.50%035%0.352CS..Hα-helixtrans-67-35.117758.60000112A3 Q4 I10 C32 N84A3-S6 PolarHBondContact O-OG 3.27Å; Q4-S6 PolarHBondContact O-N 2.95Å; S6-I10 PolarHBondContact O-N 3.44Å; S6-C32 VanDerWaalsContact CB-SG 3.59Å; S6-C32 PolarHBondContact N-SG 3.11Å; S6-N84 WeakPolarHBondContact CB-OD1 3.48Å; S6-N84 PolarHBondContact OG-OD1 2.75Å
7L92.7Very high86.3Confident56 Ų5678.8 Ų78.829%0.29337%0.367SS..Hα-helixtrans-69.6-34.9173.7-174.364.7000112.3Q4 T5 I10 K11Q4-L7 WeakPolarHBondContact O-CB 3.49Å; Q4-L7 PolarHBondContact O-N 3.28Å; T5-L7 VanDerWaalsContact C-N 3.33Å; T5-L7 PolarHBondContact O-N 3.37Å; L7-I10 PolarHBondContact O-N 2.95Å; L7-K11 HydrophobicContact CG-CD 4.35Å; L7-K11 WeakPolarHBondContact O-CG 3.38Å; L7-K11 PolarHBondContact O-N 3.09Å
8Q93.7Very high85.4Confident88 Ų8880.8 Ų80.841%0.41138%0.377SS..Hα-helixtrans-62.8-43.3175.9-73.6172.6-2.400111.4Q4 T5 I10 K11 E12Q4-Q8 WeakPolarHBondContact O-CG 3.47Å; Q4-Q8 PolarHBondContact O-N 2.8Å; T5-Q8 WeakPolarHBondContact O-CB 3.47Å; T5-Q8 PolarHBondContact O-N 3.18Å; Q8-I10 VanDerWaalsContact C-N 3.31Å; Q8-I10 PolarHBondContact O-N 2.8Å; Q8-K11 PolarHBondContact O-N 3.37Å; Q8-K11 VanDerWaalsContact O-N 3.13Å; Q8-E12 WeakPolarHBondContact O-CB 3.34Å; Q8-E12 WeakPolarHBondContact O-CG 3.12Å; Q8-E12 PolarHBondContact O-N 2.73Å
9L94.6Very high84.5Confident2 Ų280.1 Ų80.11%0.0138%0.382CS..Hα-helixtrans-52.4-47.8174.4-79.9169.8000112.4T5 L13 K28 I29 L88 Y91T5-L9 PolarHBondContact O-N 3.36Å; T5-L9 VanDerWaalsContact O-N 3.16Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.42Å; L9-K28 HydrophobicContact CD1-CB 3.87Å; L9-K28 HydrophobicContact CD2-CB 3.74Å; L9-K28 HydrophobicContact CD2-CD 3.87Å; L9-K28 HydrophobicContact CD2-CG 4.43Å; L9-K28 HydrophobicContact CG-CB 3.75Å; L9-K28 HydrophobicContact CG-CD 4.06Å; L9-I29 HydrophobicContact CD1-CG1 3.68Å; L9-L88 HydrophobicContact CD1-CD2 4.11Å; L9-Y91 HydrophobicContact CB-CD2 3.79Å; L9-Y91 HydrophobicContact CB-CE2 4.03Å; L9-Y91 HydrophobicContact CB-CG 4.25Å; L9-Y91 HydrophobicContact CD2-CD2 4.43Å; L9-Y91 HydrophobicContact CD2-CE1 4.49Å; L9-Y91 HydrophobicContact CD2-CE2 3.88Å
10I93.7Very high84.1Confident48 Ų4883.5 Ų83.525%0.24640%0.395CS..Hα-helixtrans-65.4-43.9178.8-62.3169.7000111S6 L7 Q8 E12 L13 K14 C87 A90S6-I10 PolarHBondContact O-N 3.44Å; L7-I10 PolarHBondContact O-N 2.95Å; Q8-I10 VanDerWaalsContact C-N 3.31Å; Q8-I10 PolarHBondContact O-N 2.8Å; I10-E12 VanDerWaalsContact C-N 3.34Å; I10-E12 PolarHBondContact O-N 2.85Å; I10-L13 PolarHBondContact O-N 3.37Å; I10-K14 WeakPolarHBondContact O-CB 3.46Å; I10-K14 PolarHBondContact O-N 3.32Å; I10-C87 HydrophobicContact CD1-CB 3.69Å; I10-A90 HydrophobicContact CD1-CB 4.39Å
11K92.3Very high84.2Confident111 Ų11180.5 Ų80.548%0.48338%0.381SS..Hα-helixtrans-63.2-41.4-179.3-76178.4176-178.20111.8L7 Q8 K14 R15L7-K11 HydrophobicContact CG-CD 4.35Å; L7-K11 WeakPolarHBondContact O-CG 3.38Å; L7-K11 PolarHBondContact O-N 3.09Å; Q8-K11 PolarHBondContact O-N 3.37Å; Q8-K11 VanDerWaalsContact O-N 3.13Å; K11-K14 PolarHBondContact O-N 2.86Å; K11-R15 WeakPolarHBondContact O-CB 3.37Å; K11-R15 VanDerWaalsContact O-CG 3.25Å; K11-R15 WeakPolarHBondContact O-CG 3.34Å; K11-R15 PolarHBondContact O-N 2.83Å
12E91.9Very high86.2Confident83 Ų8373.1 Ų73.139%0.38835%0.348SS..Hα-helixtrans-64.7-46.1176.7-75165.5-161.800111.4Q8 I10 K14 R15 S16 K28Q8-E12 WeakPolarHBondContact O-CB 3.34Å; Q8-E12 WeakPolarHBondContact O-CG 3.12Å; Q8-E12 PolarHBondContact O-N 2.73Å; I10-E12 VanDerWaalsContact C-N 3.34Å; I10-E12 PolarHBondContact O-N 2.85Å; E12-K14 VanDerWaalsContact C-N 3.32Å; E12-K14 PolarHBondContact O-N 2.86Å; E12-R15 PolarHBondContact O-N 2.94Å; E12-S16 PolarHBondContact O-N 3Å; E12-S16 VanDerWaalsContact O-N 3.09Å; E12-K28 IonicContact OE1-NZ 3.58Å; E12-K28 PolarHBondContact OE1-NZ 3.21Å; E12-K28 IonicContact OE2-NZ 3.69Å; E12-K28 PolarHBondContact OE2-NZ 3.41Å
13L92.6Very high87.2Confident7 Ų773.5 Ų73.54%0.03736%0.356CS..Hα-helixtrans-61.2-42.2176.1-173.668.6000111.9L9 I10 R15 S16 L21 P22 Y91 A94 R95 R98L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.42Å; I10-L13 PolarHBondContact O-N 3.37Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.82Å; L13-S16 PolarHBondContact O-N 2.99Å; L13-S16 PolarHBondContact O-OG 2.65Å; L13-L21 HydrophobicContact CD1-CD1 4Å; L13-P22 HydrophobicContact CD1-CG 3.96Å; L13-Y91 HydrophobicContact CB-CD2 4.22Å; L13-Y91 HydrophobicContact CB-CE2 4.22Å; L13-Y91 HydrophobicContact CD2-CD2 3.93Å; L13-Y91 HydrophobicContact CD2-CE2 4.29Å; L13-A94 HydrophobicContact CD2-CB 3.53Å; L13-R95 HydrophobicContact CD1-CG 3.68Å; L13-R95 HydrophobicContact CD2-CG 3.71Å; L13-R95 HydrophobicContact CG-CG 4.37Å; L13-R98 VanDerWaalsContact O-CZ 3.32Å; L13-R98 PolarHBondContact O-NH1 3.02Å; L13-R98 PolarHBondContact O-NH2 3.44Å
14K90.8Very high88.1Confident177 Ų17776.2 Ų76.277%0.7737%0.366SS*.Hα-helixtrans-65.8-33.6178.2-173.3174.9-178.9178.10112.5I10 K11 E12I10-K14 WeakPolarHBondContact O-CB 3.46Å; I10-K14 PolarHBondContact O-N 3.32Å; K11-K14 PolarHBondContact O-N 2.86Å; E12-K14 VanDerWaalsContact C-N 3.32Å; E12-K14 PolarHBondContact O-N 2.86Å
15R90.1Very high88.4Confident209 Ų20972.7 Ų72.779%0.78935%0.354SS*.Hα-helixtrans-75.9-23.6178.1-76.3172.7177-178.4-3113K11 E12 L13K11-R15 WeakPolarHBondContact O-CB 3.37Å; K11-R15 VanDerWaalsContact O-CG 3.25Å; K11-R15 WeakPolarHBondContact O-CG 3.34Å; K11-R15 PolarHBondContact O-N 2.83Å; E12-R15 PolarHBondContact O-N 2.94Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.82Å
16S87Confident88.5Confident27 Ų2777.6 Ų77.619%0.18937%0.374CS..SBendtrans-70.4147.4179.384.60000111.1E12 L13 P22 R98E12-S16 PolarHBondContact O-N 3Å; E12-S16 VanDerWaalsContact O-N 3.09Å; L13-S16 PolarHBondContact O-N 2.99Å; L13-S16 PolarHBondContact O-OG 2.65Å; S16-P22 WeakPolarHBondContact OG-CD 3.39Å; S16-R98 PolarHBondContact OG-NH1 2.89Å
17Q76.1Confident88.7Confident131 Ų13182.4 Ų82.461%0.61240%0.4SS*.  trans-65.7152.2172.2-67.5177-15.800110.3S19 K20Q17-S19 VanDerWaalsContact C-N 3.32Å; Q17-S19 PolarHBondContact O-N 3.12Å; Q17-K20 CarbonylContact O-C 3.52Å; Q17-K20 PolarHBondContact O-N 2.99Å
18Q68.8Low88.8Confident115 Ų11582.4 Ų82.454%0.53740%0.398SS..THydrogen-bonded Turntrans-61-40.8-176.9-169.8163.610.400112.1K20 E101Q18-K20 VanDerWaalsContact C-N 3.33Å; Q18-K20 PolarHBondContact O-N 3.14Å; Q18-E101 VanDerWaalsContact NE2-CD 3.33Å; Q18-E101 PolarHBondContact NE2-OE1 3.48Å; Q18-E101 PolarHBondContact NE2-OE2 2.92Å
19S68.4Low89Confident68 Ų6878.8 Ų78.848%0.47638%0.381SS..THydrogen-bonded Turntrans-76.4-12.5179.855.50000115.1Q17Q17-S19 VanDerWaalsContact C-N 3.32Å; Q17-S19 PolarHBondContact O-N 3.12Å
20K77.5Confident89.1Confident148 Ų14886.2 Ų86.264%0.64341%0.409SS*.SBendtrans-12387.7-179.7-70.7-172.9179.6-178.10109.7Q17 Q18Q17-K20 CarbonylContact O-C 3.52Å; Q17-K20 PolarHBondContact O-N 2.99Å; Q18-K20 VanDerWaalsContact C-N 3.33Å; Q18-K20 PolarHBondContact O-N 3.14Å
21L86.2Confident89.2Confident20 Ų2088.2 Ų88.211%0.10542%0.419CS..PPolyproline II helixtrans-64.3126.1172.4-160.472.5000108.8L13 R95 R98 I99 L118L13-L21 HydrophobicContact CD1-CD1 4Å; L21-R95 HydrophobicContact CD1-CG 4.37Å; L21-R98 HydrophobicContact CD1-CB 3.95Å; L21-R98 HydrophobicContact CD1-CG 4.43Å; L21-I99 HydrophobicContact CD2-CD1 4.22Å; L21-I99 HydrophobicContact CD2-CG1 3.92Å; L21-L118 HydrophobicContact CD2-CD2 3.44Å; L21-L118 VanDerWaalsContact CD2-CD2 3.44Å
22P90.9Very high89.4Confident33 Ų3383 Ų8321%0.21440%0.396CS..PPolyproline II helixtrans-66.1155.4176.227.5-32.7000109.2L13 S16 Y24 R95L13-P22 HydrophobicContact CD1-CG 3.96Å; S16-P22 WeakPolarHBondContact OG-CD 3.39Å; P22-Y24 PolarHBondContact O-N 2.48Å; P22-R95 PolarHBondContact O-NH1 3.05Å
23P93.3Very high89.6Confident101 Ų10183.5 Ų83.566%0.65640%0.401SS*.PPolyproline II helixtrans-50.2143.3172.2-2634.5000111.5G25P23-G25 PolarHBondContact O-N 3.31Å
24Y96.1Very high89.8Confident58 Ų5887.7 Ų87.723%0.22742%0.421CS..PPolyproline II helixtrans-56.7127.9177.5-179-104.9000110.7P22 E26 I29 Y91 H92 S117P22-Y24 PolarHBondContact O-N 2.48Å; Y24-E26 HydrophobicContact CD1-CB 3.87Å; Y24-E26 HydrophobicContact CE1-CB 4.03Å; Y24-E26 HydrophobicContact CE1-CG 4.35Å; Y24-E26 PolarHBondContact O-N 3.01Å; Y24-I29 HydrophobicContact CD2-CD1 4.36Å; Y24-I29 HydrophobicContact CE1-CD1 3.82Å; Y24-I29 HydrophobicContact CE2-CD1 3.57Å; Y24-I29 VanDerWaalsContact OH-CD1 3.27Å; Y24-I29 WeakPolarHBondContact OH-CD1 3.3Å; Y24-Y91 HydrophobicContact CD2-CE1 4.43Å; Y24-Y91 HydrophobicContact CE2-CE1 4.26Å; Y24-H92 AromaticContact CE2-CE1 3.81Å; Y24-H92 PolarHBondContact OH-CE1 3.27Å; Y24-S117 PolarHBondContact N-O 2.94Å
25G95Very high90Very high15 Ų1581.6 Ų81.616%0.15540%0.395CS..  trans-81.152.5-171.300000113.7P23 D27 K28 I29 Y91P23-G25 PolarHBondContact O-N 3.31Å; G25-D27 PolarHBondContact O-N 3.12Å; G25-K28 PolarHBondContact O-N 3.39Å; G25-K28 VanDerWaalsContact O-N 3.15Å; G25-I29 WeakPolarHBondContact O-CG1 3.45Å; G25-I29 PolarHBondContact O-N 2.85Å; G25-Y91 PolarHBondContact N-OH 3.31Å; G25-Y91 VanDerWaalsContact N-OH 3.1Å
26E95.6Very high90.3Very high133 Ų13373.5 Ų73.562%0.62137%0.366SS*.Hα-helixtrans-53.6-48.4-170.7-170.3170.7177.200113.1Y24 K28 I29 R30Y24-E26 HydrophobicContact CD1-CB 3.87Å; Y24-E26 HydrophobicContact CE1-CB 4.03Å; Y24-E26 HydrophobicContact CE1-CG 4.35Å; Y24-E26 PolarHBondContact O-N 3.01Å; E26-K28 VanDerWaalsContact C-N 3.34Å; E26-K28 PolarHBondContact O-N 2.87Å; E26-I29 PolarHBondContact O-N 3.44Å; E26-R30 WeakPolarHBondContact O-CB 3.24Å; E26-R30 PolarHBondContact O-N 2.93Å
27D95.6Very high90.8Very high100 Ų10079.5 Ų79.554%0.53539%0.385SS..Hα-helixtrans-59.6-44179.8-74.4-41.9000112.8G25 R30 I31G25-D27 PolarHBondContact O-N 3.12Å; D27-R30 PolarHBondContact O-N 3.39Å; D27-R30 IonicContact OD1-CZ 3.2Å; D27-R30 IonicContact OD1-NE 3.56Å; D27-R30 IonicContact OD1-NH2 2.68Å; D27-R30 PolarHBondContact OD1-NH2 2.83Å; D27-I31 VanDerWaalsContact O-CG1 3.26Å; D27-I31 WeakPolarHBondContact O-CG1 3.36Å; D27-I31 PolarHBondContact O-N 3.08Å
28K95.6Very high91.8Very high57 Ų5777 Ų7725%0.24838%0.378CS..Hα-helixtrans-68-38.9179.8-72.3178.9-173.2166.20111.2T5 L9 E12 G25 E26 I31 C32T5-K28 HydrophobicContact CG2-CB 3.74Å; T5-K28 HydrophobicContact CG2-CG 3.89Å; L9-K28 HydrophobicContact CD1-CB 3.87Å; L9-K28 HydrophobicContact CD2-CB 3.74Å; L9-K28 HydrophobicContact CD2-CD 3.87Å; L9-K28 HydrophobicContact CD2-CG 4.43Å; L9-K28 HydrophobicContact CG-CB 3.75Å; L9-K28 HydrophobicContact CG-CD 4.06Å; E12-K28 IonicContact OE1-NZ 3.58Å; E12-K28 PolarHBondContact OE1-NZ 3.21Å; E12-K28 IonicContact OE2-NZ 3.69Å; E12-K28 PolarHBondContact OE2-NZ 3.41Å; G25-K28 PolarHBondContact O-N 3.39Å; G25-K28 VanDerWaalsContact O-N 3.15Å; E26-K28 VanDerWaalsContact C-N 3.34Å; E26-K28 PolarHBondContact O-N 2.87Å; K28-I31 PolarHBondContact O-N 3.24Å; K28-C32 PolarHBondContact O-N 3.02Å; K28-C32 PolarHBondContact O-SG 3.01Å
29I96.8Very high93.1Very high11 Ų1172.5 Ų72.56%0.05636%0.358CS..Hα-helixtrans-64.7-45.6176.4-66.5165.6000109.8L9 Y24 G25 E26 I31 C32 L33 L88 Y91L9-I29 HydrophobicContact CD1-CG1 3.68Å; Y24-I29 HydrophobicContact CD2-CD1 4.36Å; Y24-I29 HydrophobicContact CE1-CD1 3.82Å; Y24-I29 HydrophobicContact CE2-CD1 3.57Å; Y24-I29 VanDerWaalsContact OH-CD1 3.27Å; Y24-I29 WeakPolarHBondContact OH-CD1 3.3Å; G25-I29 WeakPolarHBondContact O-CG1 3.45Å; G25-I29 PolarHBondContact O-N 2.85Å; E26-I29 PolarHBondContact O-N 3.44Å; I29-I31 VanDerWaalsContact C-N 3.34Å; I29-I31 PolarHBondContact O-N 2.97Å; I29-C32 WeakPolarHBondContact O-CB 3.29Å; I29-C32 PolarHBondContact O-N 3.41Å; I29-C32 VanDerWaalsContact O-N 3.12Å; I29-L33 HydrophobicContact CG2-CD1 3.98Å; I29-L33 HydrophobicContact CG2-CG 4.31Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 3.03Å; I29-L88 HydrophobicContact CG1-CD2 4.26Å; I29-Y91 HydrophobicContact CD1-CD1 4.33Å; I29-Y91 HydrophobicContact CD1-CE1 3.77Å
30R96.7Very high94.5Very high158 Ų15876 Ų7660%0.59636%0.362SS*.Hα-helixtrans-57.3-45.5175.5179.7173.357.1134.8-4.6111.8E26 D27 C32 L33 E34E26-R30 WeakPolarHBondContact O-CB 3.24Å; E26-R30 PolarHBondContact O-N 2.93Å; D27-R30 PolarHBondContact O-N 3.39Å; D27-R30 IonicContact OD1-CZ 3.2Å; D27-R30 IonicContact OD1-NE 3.56Å; D27-R30 IonicContact OD1-NH2 2.68Å; D27-R30 PolarHBondContact OD1-NH2 2.83Å; R30-C32 VanDerWaalsContact C-N 3.35Å; R30-C32 PolarHBondContact O-N 3.11Å; R30-L33 PolarHBondContact O-N 3.36Å; R30-E34 WeakPolarHBondContact O-CB 3.13Å; R30-E34 PolarHBondContact O-N 3.07Å
31I96Very high95.4Very high91 Ų9172.3 Ų72.347%0.46735%0.349SS..Hα-helixtrans-60.1-44.4174.9-69.1163.6000111T5 D27 K28 I29 E34 E35T5-I31 HydrophobicContact CG2-CB 4.37Å; T5-I31 HydrophobicContact CG2-CG2 4.2Å; D27-I31 VanDerWaalsContact O-CG1 3.26Å; D27-I31 WeakPolarHBondContact O-CG1 3.36Å; D27-I31 PolarHBondContact O-N 3.08Å; K28-I31 PolarHBondContact O-N 3.24Å; I29-I31 VanDerWaalsContact C-N 3.34Å; I29-I31 PolarHBondContact O-N 2.97Å; I31-E34 PolarHBondContact O-N 2.95Å; I31-E35 WeakPolarHBondContact O-CB 3.35Å; I31-E35 PolarHBondContact O-N 3.46Å
32C95.8Very high95.9Very high0 Ų071.9 Ų71.90%035%0.348CS..Hα-helixtrans-63.7-40.7177.7-70.90000112.7S6 K28 I29 R30 E35 M36 L88S6-C32 VanDerWaalsContact CB-SG 3.59Å; S6-C32 PolarHBondContact N-SG 3.11Å; K28-C32 PolarHBondContact O-N 3.02Å; K28-C32 PolarHBondContact O-SG 3.01Å; I29-C32 WeakPolarHBondContact O-CB 3.29Å; I29-C32 PolarHBondContact O-N 3.41Å; I29-C32 VanDerWaalsContact O-N 3.12Å; R30-C32 VanDerWaalsContact C-N 3.35Å; R30-C32 PolarHBondContact O-N 3.11Å; C32-E35 PolarHBondContact O-N 3.28Å; C32-M36 WeakPolarHBondContact O-CB 3.27Å; C32-M36 WeakPolarHBondContact O-CG 3.37Å; C32-M36 PolarHBondContact O-N 3.35Å; C32-L88 HydrophobicContact CB-CD1 4.12Å; C32-L88 HydrophobicContact CB-CD2 4.06Å; C32-L88 HydrophobicContact CB-CG 4.46Å
33L96.8Very high96.2Very high95 Ų9570.9 Ų70.950%0.49734%0.342SS..Hα-helixtrans-67.9-39178.1-69.1175.6000111.6I29 R30 M36 R37 L88I29-L33 HydrophobicContact CG2-CD1 3.98Å; I29-L33 HydrophobicContact CG2-CG 4.31Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 3.03Å; R30-L33 PolarHBondContact O-N 3.36Å; L33-M36 HydrophobicContact CD2-SD 4.43Å; L33-M36 PolarHBondContact O-N 2.93Å; L33-R37 PolarHBondContact O-N 3.3Å; L33-L88 HydrophobicContact CD2-CD1 4.04Å
34E96.4Very high96.3Very high95 Ų9571.8 Ų71.844%0.44434%0.337SS..Hα-helixtrans-66.8-42.7174.7-171.658.1-153.400111.5R30 I31 M36 R37 V38R30-E34 WeakPolarHBondContact O-CB 3.13Å; R30-E34 PolarHBondContact O-N 3.07Å; I31-E34 PolarHBondContact O-N 2.95Å; E34-M36 VanDerWaalsContact C-N 3.28Å; E34-M36 PolarHBondContact O-N 2.79Å; E34-R37 WeakPolarHBondContact O-CB 3.4Å; E34-R37 PolarHBondContact O-N 3.19Å; E34-R37 VanDerWaalsContact O-N 3.16Å; E34-V38 WeakPolarHBondContact O-CG2 3.22Å; E34-V38 PolarHBondContact O-N 3.19Å
35E94.7Very high96.3Very high48 Ų4876.5 Ų76.522%0.22435%0.354CS..Hα-helixtrans-56.1-45.3171.8-176.9-173-172.200110.7A3 I31 C32 R37 V38 L39 N84A3-E35 PolarHBondContact N-OE1 3.18Å; I31-E35 WeakPolarHBondContact O-CB 3.35Å; I31-E35 PolarHBondContact O-N 3.46Å; C32-E35 PolarHBondContact O-N 3.28Å; E35-R37 PolarHBondContact O-N 2.99Å; E35-V38 PolarHBondContact O-N 3.2Å; E35-L39 HydrophobicContact CG-CD1 4.09Å; E35-L39 WeakPolarHBondContact O-CB 3.32Å; E35-L39 VanDerWaalsContact O-CG 3.23Å; E35-L39 WeakPolarHBondContact O-CG 3.41Å; E35-L39 PolarHBondContact O-N 2.91Å; E35-N84 PolarHBondContact OE2-ND2 3.08Å
36M96.9Very high96.4Very high39 Ų3976.9 Ų76.919%0.19235%0.353CS..Hα-helixtrans-63-41.6177.4-72.5173.970.800112.2C32 L33 E34 L39 Y40 L81 N84 K85 L88C32-M36 WeakPolarHBondContact O-CB 3.27Å; C32-M36 WeakPolarHBondContact O-CG 3.37Å; C32-M36 PolarHBondContact O-N 3.35Å; L33-M36 HydrophobicContact CD2-SD 4.43Å; L33-M36 PolarHBondContact O-N 2.93Å; E34-M36 VanDerWaalsContact C-N 3.28Å; E34-M36 PolarHBondContact O-N 2.79Å; M36-L39 PolarHBondContact O-N 3.23Å; M36-Y40 VanDerWaalsContact O-CB 3.31Å; M36-Y40 WeakPolarHBondContact O-CB 3.33Å; M36-Y40 PolarHBondContact O-N 3.33Å; M36-L81 VanDerWaalsContact CA-CD2 3.49Å; M36-L81 HydrophobicContact CB-CD2 3.73Å; M36-L81 HydrophobicContact CG-CD2 3.93Å; M36-L81 WeakPolarHBondContact O-CD2 3.31Å; M36-N84 HydrophobicContact CG-CB 3.71Å; M36-N84 HydrophobicContact SD-CB 3.69Å; M36-K85 HydrophobicContact CE-CB 4.01Å; M36-L88 HydrophobicContact SD-CD1 3.93Å
37R97.6Very high96.3Very high153 Ų15374.4 Ų74.458%0.57735%0.346SS*.Hα-helixtrans-61.2-49.9176.9-177.1-174.7177.7-179.92.9111.6L33 E34 E35 L39 Y40 D41L33-R37 PolarHBondContact O-N 3.3Å; E34-R37 WeakPolarHBondContact O-CB 3.4Å; E34-R37 PolarHBondContact O-N 3.19Å; E34-R37 VanDerWaalsContact O-N 3.16Å; E35-R37 PolarHBondContact O-N 2.99Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-L39 PolarHBondContact O-N 3.16Å; R37-Y40 WeakPolarHBondContact O-CB 3.29Å; R37-Y40 PolarHBondContact O-N 2.61Å; R37-Y40 VanDerWaalsContact O-N 3.13Å; R37-D41 IonicContact NE-OD2 2.91Å; R37-D41 PolarHBondContact O-N 3.28Å
38V96.8Very high96.1Very high78 Ų7871.3 Ų71.347%0.47334%0.335SS..Hα-helixtrans-59.7-42.9180172.40000111.5E34 E35 A42E34-V38 WeakPolarHBondContact O-CG2 3.22Å; E34-V38 PolarHBondContact O-N 3.19Å; E35-V38 PolarHBondContact O-N 3.2Å; V38-A42 WeakPolarHBondContact O-CB 3.32Å; V38-A42 PolarHBondContact O-N 3.1Å
39L96.3Very high95.9Very high22 Ų2273 Ų7312%0.11535%0.346CS..Hα-helixtrans-65.1-39.7176.8-71173.3000112.1E35 M36 R37 N43 R77 I80 L81E35-L39 HydrophobicContact CG-CD1 4.09Å; E35-L39 WeakPolarHBondContact O-CB 3.32Å; E35-L39 VanDerWaalsContact O-CG 3.23Å; E35-L39 WeakPolarHBondContact O-CG 3.41Å; E35-L39 PolarHBondContact O-N 2.91Å; M36-L39 PolarHBondContact O-N 3.23Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-L39 PolarHBondContact O-N 3.16Å; L39-N43 WeakPolarHBondContact O-CB 3.27Å; L39-N43 PolarHBondContact O-N 2.68Å; L39-R77 HydrophobicContact CD2-CB 4.16Å; L39-R77 HydrophobicContact CD2-CG 3.86Å; L39-I80 HydrophobicContact CD1-CB 4.12Å; L39-I80 HydrophobicContact CD1-CG2 3.57Å; L39-L81 HydrophobicContact CB-CD1 4.46Å; L39-L81 HydrophobicContact CB-CD2 3.73Å; L39-L81 HydrophobicContact CB-CG 4.05Å; L39-L81 HydrophobicContact CD1-CD2 4.2Å; L39-L81 HydrophobicContact CD1-CG 4.47Å
40Y97.3Very high95.5Very high141 Ų14173.8 Ų73.855%0.55335%0.351SS*.Hα-helixtrans-64.4-47.2176.7-179.3-94.3000111.7M36 R37 A42 N43 H44M36-Y40 VanDerWaalsContact O-CB 3.31Å; M36-Y40 WeakPolarHBondContact O-CB 3.33Å; M36-Y40 PolarHBondContact O-N 3.33Å; R37-Y40 WeakPolarHBondContact O-CB 3.29Å; R37-Y40 PolarHBondContact O-N 2.61Å; R37-Y40 VanDerWaalsContact O-N 3.13Å; Y40-A42 VanDerWaalsContact C-N 3.31Å; Y40-A42 PolarHBondContact O-N 3.38Å; Y40-N43 WeakPolarHBondContact O-CB 3.39Å; Y40-N43 PolarHBondContact O-N 3.26Å; Y40-N43 VanDerWaalsContact O-N 3.13Å; Y40-H44 PolarHBondContact O-N 2.82Å
41D98.1Very high95.1Very high70 Ų7069.6 Ų69.637%0.37435%0.346SS..Hα-helixtrans-65.2-36.1178.9-68.1-17.5000111.6R37 R45R37-D41 IonicContact NE-OD2 2.91Å; R37-D41 PolarHBondContact O-N 3.28Å; D41-R45 WeakPolarHBondContact O-CG 3.47Å; D41-R45 PolarHBondContact O-N 3.44Å; D41-R45 VanDerWaalsContact O-N 3.11Å; D41-R45 PolarHBondContact O-NE 3.08Å
42A96.6Very high94.6Very high11 Ų1170.9 Ų70.99%0.09135%0.354CS..Hα-helixtrans-65.4-41.2172.400000112.1V38 Y40 R45 D46 R77V38-A42 WeakPolarHBondContact O-CB 3.32Å; V38-A42 PolarHBondContact O-N 3.1Å; Y40-A42 VanDerWaalsContact C-N 3.31Å; Y40-A42 PolarHBondContact O-N 3.38Å; A42-R45 PolarHBondContact O-N 2.8Å; A42-D46 PolarHBondContact O-N 2.61Å; A42-D46 VanDerWaalsContact O-N 3.12Å; A42-R77 PolarHBondContact O-NH1 3.28Å
43N96.7Very high93.9Very high13 Ų1372.8 Ų72.87%0.0737%0.367CS..Hα-helixtrans-62-46.2174.7-79.8-1000112L39 Y40 R45 D46 V47 V74 R77L39-N43 WeakPolarHBondContact O-CB 3.27Å; L39-N43 PolarHBondContact O-N 2.68Å; Y40-N43 WeakPolarHBondContact O-CB 3.39Å; Y40-N43 PolarHBondContact O-N 3.26Å; Y40-N43 VanDerWaalsContact O-N 3.13Å; N43-R45 VanDerWaalsContact C-N 3.32Å; N43-R45 PolarHBondContact O-N 3.29Å; N43-D46 PolarHBondContact O-N 3.12Å; N43-V47 WeakPolarHBondContact O-CG2 3.38Å; N43-V47 PolarHBondContact O-N 2.63Å; N43-V74 HydrophobicContact CB-CG1 4.35Å; N43-R77 WeakPolarHBondContact OD1-CB 3.08Å; N43-R77 WeakPolarHBondContact OD1-CD 3.47Å
44H96.1Very high92.6Very high120 Ų12072.2 Ų72.256%0.55637%0.371SS*.Hα-helixtrans-61.2-42.9179.9-168.8-21.6000111.6Y40 A48Y40-H44 PolarHBondContact O-N 2.82Å; H44-A48 WeakPolarHBondContact O-CB 3.41Å; H44-A48 PolarHBondContact O-N 3.23Å
45R96.1Very high91.2Very high157 Ų15772.4 Ų72.459%0.59238%0.383SS*.Hα-helixtrans-60.3-48.7177-76-177.3-68.3137.7-6112.1D41 A42 N43 V47 A48 L49D41-R45 WeakPolarHBondContact O-CG 3.47Å; D41-R45 PolarHBondContact O-N 3.44Å; D41-R45 VanDerWaalsContact O-N 3.11Å; D41-R45 PolarHBondContact O-NE 3.08Å; A42-R45 PolarHBondContact O-N 2.8Å; N43-R45 VanDerWaalsContact C-N 3.32Å; N43-R45 PolarHBondContact O-N 3.29Å; R45-V47 PolarHBondContact O-N 2.86Å; R45-A48 PolarHBondContact O-N 3.33Å; R45-L49 WeakPolarHBondContact O-CG 2.94Å; R45-L49 PolarHBondContact O-N 3.4Å
46D95.3Very high89.8Confident23 Ų2371.9 Ų71.912%0.12339%0.391CS..Hα-helixtrans-68.4-38-176.5-71-8000111.9A42 N43 L49 V50 K70 V74 R77A42-D46 PolarHBondContact O-N 2.61Å; A42-D46 VanDerWaalsContact O-N 3.12Å; N43-D46 PolarHBondContact O-N 3.12Å; D46-L49 PolarHBondContact O-N 3.11Å; D46-V50 WeakPolarHBondContact O-CG2 3.49Å; D46-V50 PolarHBondContact O-N 2.8Å; D46-V50 VanDerWaalsContact O-N 3.13Å; D46-K70 HydrophobicContact CB-CB 4.5Å; D46-V74 HydrophobicContact CB-CG2 3.71Å; D46-R77 IonicContact OD2-CZ 2.75Å; D46-R77 VanDerWaalsContact OD2-CZ 3.28Å; D46-R77 IonicContact OD2-NH1 3.89Å; D46-R77 PolarHBondContact OD2-NH1 2.9Å; D46-R77 IonicContact OD2-NH2 3.82Å; D46-R77 PolarHBondContact OD2-NH2 3.49Å
47V94Very high88.3Confident80 Ų8076.8 Ų76.849%0.48543%0.426SS..Hα-helixtrans-63.8-42.7173.8172.90000111.4N43 R45 L49 V50 S51 V74N43-V47 WeakPolarHBondContact O-CG2 3.38Å; N43-V47 PolarHBondContact O-N 2.63Å; R45-V47 PolarHBondContact O-N 2.86Å; V47-L49 VanDerWaalsContact C-N 3.33Å; V47-L49 PolarHBondContact O-N 3.25Å; V47-V50 PolarHBondContact O-N 3.35Å; V47-S51 WeakPolarHBondContact O-CB 3.16Å; V47-S51 PolarHBondContact O-N 3.16Å; V47-V74 HydrophobicContact CG2-CG1 4.04Å; V47-V74 HydrophobicContact CG2-CG2 4.12Å
48A92.8Very high86.7Confident36 Ų3674.4 Ų74.430%0.29843%0.432SS..Hα-helixtrans-62.7-40.3178.100000112H44 R45 S51 N52H44-A48 WeakPolarHBondContact O-CB 3.41Å; H44-A48 PolarHBondContact O-N 3.23Å; R45-A48 PolarHBondContact O-N 3.33Å; A48-S51 PolarHBondContact O-N 3.43Å; A48-N52 WeakPolarHBondContact O-CB 3.42Å; A48-N52 PolarHBondContact O-N 2.9Å; A48-N52 PolarHBondContact O-ND2 3.11Å
49L89.8Confident85.2Confident91 Ų9173.7 Ų73.748%0.47643%0.43SS..Hα-helixtrans-63-45.6177-70.8174.3000112.1R45 D46 V47 N52 S53R45-L49 WeakPolarHBondContact O-CG 2.94Å; R45-L49 PolarHBondContact O-N 3.4Å; D46-L49 PolarHBondContact O-N 3.11Å; V47-L49 VanDerWaalsContact C-N 3.33Å; V47-L49 PolarHBondContact O-N 3.25Å; L49-N52 PolarHBondContact O-N 3.12Å; L49-S53 PolarHBondContact O-N 3.12Å; L49-S53 PolarHBondContact O-OG 3.44Å
50V88.6Confident84.2Confident28 Ų2875.1 Ų75.117%0.1744%0.442CS..Hα-helixtrans-66.7-38.8178.6174.30000111.6D46 V47 S53 S54 H67 K70 I71D46-V50 WeakPolarHBondContact O-CG2 3.49Å; D46-V50 PolarHBondContact O-N 2.8Å; D46-V50 VanDerWaalsContact O-N 3.13Å; V47-V50 PolarHBondContact O-N 3.35Å; V50-S53 PolarHBondContact O-OG 3.38Å; V50-S53 VanDerWaalsContact O-OG 3.06Å; V50-S54 PolarHBondContact O-N 3.06Å; V50-H67 HydrophobicContact CG1-CB 4.42Å; V50-H67 HydrophobicContact CG2-CB 4.38Å; V50-K70 HydrophobicContact CG2-CB 3.89Å; V50-K70 HydrophobicContact CG2-CD 4.03Å; V50-I71 HydrophobicContact CG1-CD1 4.33Å; V50-I71 HydrophobicContact CG1-CG1 4.44Å
51S88Confident83.2Confident70 Ų7072.5 Ų72.549%0.4945%0.445SS..Hα-helixtrans-64-44.7176.6-170.70000111.7V47 A48 S54V47-S51 WeakPolarHBondContact O-CB 3.16Å; V47-S51 PolarHBondContact O-N 3.16Å; A48-S51 PolarHBondContact O-N 3.43Å; S51-S54 PolarHBondContact O-OG 3.06Å
52N86.1Confident82.3Confident118 Ų11878.5 Ų78.563%0.63146%0.464SS*.Hα-helixtrans-72-29.1-176.1-69.5-17.3000113.4A48 L49 S55A48-N52 WeakPolarHBondContact O-CB 3.42Å; A48-N52 PolarHBondContact O-N 2.9Å; A48-N52 PolarHBondContact O-ND2 3.11Å; L49-N52 PolarHBondContact O-N 3.12Å; N52-S55 PolarHBondContact O-OG 2.86Å; N52-S55 VanDerWaalsContact O-OG 3.06Å
53S80.9Confident81.4Confident40 Ų4082.2 Ų82.228%0.2848%0.479SS..Hα-helixtrans-80.7-26.8179.753.90000113.5L49 V50 S55 G56 H67L49-S53 PolarHBondContact O-N 3.12Å; L49-S53 PolarHBondContact O-OG 3.44Å; V50-S53 PolarHBondContact O-OG 3.38Å; V50-S53 VanDerWaalsContact O-OG 3.06Å; S53-S55 PolarHBondContact O-N 3.3Å; S53-G56 PolarHBondContact O-N 3.14Å; S53-H67 VanDerWaalsContact CB-NE2 3.31Å; S53-H67 WeakPolarHBondContact CB-NE2 3.36Å; S53-H67 PolarHBondContact OG-CE1 3.45Å; S53-H67 PolarHBondContact OG-NE2 2.99Å
54S70.3Confident80.7Confident83 Ų8385.3 Ų85.358%0.5850%0.498SS*.THydrogen-bonded Turntrans-63.8-8.6-179.866.10000115.7V50 S51V50-S54 PolarHBondContact O-N 3.06Å; S51-S54 PolarHBondContact O-OG 3.06Å
55S65.9Low80.3Confident100 Ų10084.1 Ų84.170%0.69950%0.496SS*.THydrogen-bonded Turntrans-89.3-0.5178.929.40000114.6N52 S53N52-S55 PolarHBondContact O-OG 2.86Å; N52-S55 VanDerWaalsContact O-OG 3.06Å; S53-S55 PolarHBondContact O-N 3.3Å
56G66.6Low79.9Confident37 Ų3780.1 Ų80.138%0.38149%0.487SS..  trans-88.8128.1176.100000113.2S53 S58S53-G56 PolarHBondContact O-N 3.14Å; G56-S58 PolarHBondContact O-N 3.21Å
57P64.8Low79.6Confident142 Ų14280.3 Ų80.392%0.92249%0.487SS*.SBendtrans-72.15-176.227-33.4000115.6
58S63.2Low79.4Confident102 Ų10279.1 Ų79.171%0.71348%0.482SS*.  trans-137.966.8-178.258.20000111.1G56 S60G56-S58 PolarHBondContact O-N 3.21Å; S58-S60 PolarHBondContact O-N 3.36Å
59S66.5Low79.5Confident63 Ų6381.7 Ų81.744%0.44149%0.491SS..  trans-69.2118.4173.3-51.20000110.1E63S59-E63 VanDerWaalsContact CA-OE2 3.29Å; S59-E63 WeakPolarHBondContact CA-OE2 3.39Å
60S74.1Confident79.6Confident52 Ų5279.5 Ų79.536%0.36448%0.477SS..  trans-73.2157.5174.2680000111.1S58 Y62 E63 T64S58-S60 PolarHBondContact O-N 3.36Å; S60-Y62 PolarHBondContact O-N 2.9Å; S60-E63 PolarHBondContact N-OE2 2.76Å; S60-E63 PolarHBondContact O-N 2.95Å; S60-E63 WeakPolarHBondContact OG-CG 3.29Å; S60-E63 PolarHBondContact OG-N 3.49Å; S60-T64 PolarHBondContact O-N 3.03Å; S60-T64 VanDerWaalsContact O-N 3.08Å
61S76.8Confident79.8Confident87 Ų8782 Ų8261%0.60849%0.489SS*.Hα-helixtrans-56-36.6176.252.80000112.4T64 D65S61-T64 WeakPolarHBondContact CA-OG1 3.48Å; S61-T64 PolarHBondContact O-N 3.07Å; S61-T64 PolarHBondContact O-OG1 2.75Å; S61-D65 PolarHBondContact O-N 3Å; S61-D65 VanDerWaalsContact O-N 3.13Å
62Y78.7Confident80.2Confident195 Ų19583.6 Ų83.677%0.76549%0.489SS*.Hα-helixtrans-63.8-41.6175.1-67.6-74000112.9S60 D65 D66S60-Y62 PolarHBondContact O-N 2.9Å; Y62-D65 PolarHBondContact O-N 3.26Å; Y62-D66 PolarHBondContact O-N 2.78Å
63E79Confident80.6Confident90 Ų9080 Ų8042%0.42147%0.472SS..Hα-helixtrans-66.1-38.4176.6-73.4168.6169.200111.6S59 S60 D65 D66 H67S59-E63 VanDerWaalsContact CA-OE2 3.29Å; S59-E63 WeakPolarHBondContact CA-OE2 3.39Å; S60-E63 PolarHBondContact N-OE2 2.76Å; S60-E63 PolarHBondContact O-N 2.95Å; S60-E63 WeakPolarHBondContact OG-CG 3.29Å; S60-E63 PolarHBondContact OG-N 3.49Å; E63-D65 VanDerWaalsContact C-N 3.32Å; E63-D65 PolarHBondContact O-N 3.29Å; E63-D66 PolarHBondContact O-N 3.35Å; E63-H67 WeakPolarHBondContact O-CB 3.38Å; E63-H67 PolarHBondContact O-CD2 3.43Å; E63-H67 PolarHBondContact O-N 3.09Å; E63-H67 PolarHBondContact O-ND1 3.44Å
64T81.6Confident81.4Confident77 Ų7779.2 Ų79.247%0.47247%0.466SS..Hα-helixtrans-64.1-37.9176.556.50000112.5S60 S61 S68S60-T64 PolarHBondContact O-N 3.03Å; S60-T64 VanDerWaalsContact O-N 3.08Å; S61-T64 WeakPolarHBondContact CA-OG1 3.48Å; S61-T64 PolarHBondContact O-N 3.07Å; S61-T64 PolarHBondContact O-OG1 2.75Å; T64-S68 WeakPolarHBondContact O-CB 3.34Å; T64-S68 PolarHBondContact O-N 3.38Å
65D86.5Confident82.6Confident96 Ų9680 Ų8051%0.51346%0.463SS..Hα-helixtrans-70.6-42.5177-167.950.4000111.6S61 Y62 E63 H67 S68 N69S61-D65 PolarHBondContact O-N 3Å; S61-D65 VanDerWaalsContact O-N 3.13Å; Y62-D65 PolarHBondContact O-N 3.26Å; E63-D65 VanDerWaalsContact C-N 3.32Å; E63-D65 PolarHBondContact O-N 3.29Å; D65-H67 PolarHBondContact O-N 3.28Å; D65-S68 WeakPolarHBondContact O-CB 3.46Å; D65-S68 PolarHBondContact O-N 3.38Å; D65-N69 WeakPolarHBondContact O-CB 3.44Å; D65-N69 VanDerWaalsContact O-CG 3.28Å; D65-N69 PolarHBondContact O-N 3.16Å; D65-N69 PolarHBondContact O-ND2 3.01Å; D65-N69 PolarHBondContact OD2-ND2 3.3Å
66D88.6Confident84Confident72 Ų7279.2 Ų79.239%0.38545%0.454SS..Hα-helixtrans-61.2-42.1174.5178.862.5000112.3Y62 E63 N69 K70Y62-D66 PolarHBondContact O-N 2.78Å; E63-D66 PolarHBondContact O-N 3.35Å; D66-N69 PolarHBondContact O-N 3.32Å; D66-K70 WeakPolarHBondContact O-CG 3.46Å; D66-K70 PolarHBondContact O-N 3.03Å; D66-K70 IonicContact OD1-NZ 2.7Å; D66-K70 WeakPolarHBondContact OD2-CE 3.48Å; D66-K70 IonicContact OD2-NZ 3.56Å; D66-K70 PolarHBondContact OD2-NZ 3.36Å
67H89Confident85.5Confident27 Ų2780 Ų8013%0.12545%0.446CS..Hα-helixtrans-62.1-44.7173.9-66.1163.9000112V50 S53 E63 D65 N69 K70 I71V50-H67 HydrophobicContact CG1-CB 4.42Å; V50-H67 HydrophobicContact CG2-CB 4.38Å; S53-H67 VanDerWaalsContact CB-NE2 3.31Å; S53-H67 WeakPolarHBondContact CB-NE2 3.36Å; S53-H67 PolarHBondContact OG-CE1 3.45Å; S53-H67 PolarHBondContact OG-NE2 2.99Å; E63-H67 WeakPolarHBondContact O-CB 3.38Å; E63-H67 PolarHBondContact O-CD2 3.43Å; E63-H67 PolarHBondContact O-N 3.09Å; E63-H67 PolarHBondContact O-ND1 3.44Å; D65-H67 PolarHBondContact O-N 3.28Å; H67-N69 VanDerWaalsContact C-N 3.34Å; H67-N69 PolarHBondContact O-N 3.46Å; H67-K70 PolarHBondContact O-N 3.38Å; H67-I71 VanDerWaalsContact O-CG1 3.24Å; H67-I71 WeakPolarHBondContact O-CG1 3.43Å; H67-I71 PolarHBondContact O-N 2.89Å
68S90.7Very high87Confident55 Ų5577.9 Ų77.939%0.38542%0.423SS..Hα-helixtrans-57.4-49176.1-174.30000110.7T64 D65 K70 I71 Q72T64-S68 WeakPolarHBondContact O-CB 3.34Å; T64-S68 PolarHBondContact O-N 3.38Å; D65-S68 WeakPolarHBondContact O-CB 3.46Å; D65-S68 PolarHBondContact O-N 3.38Å; S68-K70 PolarHBondContact O-N 3.46Å; S68-I71 PolarHBondContact O-N 3.22Å; S68-Q72 WeakPolarHBondContact O-CG 3.25Å; S68-Q72 PolarHBondContact O-N 2.93Å
69N93.2Very high88.6Confident90 Ų9075.9 Ų75.948%0.48141%0.413SS..Hα-helixtrans-60.6-42178.6-71.7-38.3000112.6D65 D66 H67 Q72 S73D65-N69 WeakPolarHBondContact O-CB 3.44Å; D65-N69 VanDerWaalsContact O-CG 3.28Å; D65-N69 PolarHBondContact O-N 3.16Å; D65-N69 PolarHBondContact O-ND2 3.01Å; D65-N69 PolarHBondContact OD2-ND2 3.3Å; D66-N69 PolarHBondContact O-N 3.32Å; H67-N69 VanDerWaalsContact C-N 3.34Å; H67-N69 PolarHBondContact O-N 3.46Å; N69-Q72 PolarHBondContact O-N 3.22Å; N69-S73 PolarHBondContact O-N 3.46Å
70K92.9Very high89.9Confident45 Ų4573.7 Ų73.720%0.19640%0.396CS..Hα-helixtrans-62.1-46.3174.2-76170.1177.9163.80111.9D46 V50 D66 H67 S68 Q72 S73 V74D46-K70 HydrophobicContact CB-CB 4.5Å; V50-K70 HydrophobicContact CG2-CB 3.89Å; V50-K70 HydrophobicContact CG2-CD 4.03Å; D66-K70 WeakPolarHBondContact O-CG 3.46Å; D66-K70 PolarHBondContact O-N 3.03Å; D66-K70 IonicContact OD1-NZ 2.7Å; D66-K70 WeakPolarHBondContact OD2-CE 3.48Å; D66-K70 IonicContact OD2-NZ 3.56Å; D66-K70 PolarHBondContact OD2-NZ 3.36Å; H67-K70 PolarHBondContact O-N 3.38Å; S68-K70 PolarHBondContact O-N 3.46Å; K70-Q72 VanDerWaalsContact C-N 3.35Å; K70-Q72 PolarHBondContact O-N 2.96Å; K70-S73 WeakPolarHBondContact O-CB 3.34Å; K70-S73 PolarHBondContact O-N 2.9Å; K70-S73 VanDerWaalsContact O-N 3.16Å; K70-V74 WeakPolarHBondContact O-CG2 3.37Å; K70-V74 PolarHBondContact O-N 3.37Å
71I93Very high91Very high81 Ų8172 Ų7242%0.41538%0.383SS..Hα-helixtrans-58.8-47.2177-68.4163.9000110.3V50 H67 S68 S73 V74 L75V50-I71 HydrophobicContact CG1-CD1 4.33Å; V50-I71 HydrophobicContact CG1-CG1 4.44Å; H67-I71 VanDerWaalsContact O-CG1 3.24Å; H67-I71 WeakPolarHBondContact O-CG1 3.43Å; H67-I71 PolarHBondContact O-N 2.89Å; S68-I71 PolarHBondContact O-N 3.22Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 3.41Å; I71-V74 PolarHBondContact O-N 2.95Å; I71-L75 HydrophobicContact CG2-CD1 4.34Å; I71-L75 WeakPolarHBondContact O-CG 3.5Å; I71-L75 PolarHBondContact O-N 3.19Å
72Q95.4Very high91.9Very high103 Ų10371 Ų7148%0.48137%0.369SS..Hα-helixtrans-60.5-40.8176.8-64.2-50.8-42.800111.8S68 N69 K70 V74 L75 V76S68-Q72 WeakPolarHBondContact O-CG 3.25Å; S68-Q72 PolarHBondContact O-N 2.93Å; N69-Q72 PolarHBondContact O-N 3.22Å; K70-Q72 VanDerWaalsContact C-N 3.35Å; K70-Q72 PolarHBondContact O-N 2.96Å; Q72-V74 PolarHBondContact O-N 3.34Å; Q72-L75 PolarHBondContact O-N 2.96Å; Q72-V76 WeakPolarHBondContact O-CG2 3.49Å; Q72-V76 PolarHBondContact O-N 2.81Å; Q72-V76 VanDerWaalsContact O-N 3.1Å
73S95.3Very high92.7Very high42 Ų4266.8 Ų66.829%0.29435%0.351SS..Hα-helixtrans-61-45176.1-154.50000112N69 K70 I71 L75 V76 R77N69-S73 PolarHBondContact O-N 3.46Å; K70-S73 WeakPolarHBondContact O-CB 3.34Å; K70-S73 PolarHBondContact O-N 2.9Å; K70-S73 VanDerWaalsContact O-N 3.16Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 3.41Å; S73-L75 VanDerWaalsContact C-N 3.35Å; S73-L75 PolarHBondContact O-N 3.35Å; S73-V76 PolarHBondContact O-N 2.93Å; S73-R77 WeakPolarHBondContact O-CG 3.48Å; S73-R77 PolarHBondContact O-N 3.5Å; S73-R77 PolarHBondContact OG-NH2 3.31Å
74V96.6Very high93.5Very high25 Ų2562.5 Ų62.515%0.15233%0.331CS..Hα-helixtrans-59.7-44.4177.11710000111.3N43 D46 V47 K70 I71 Q72 V76 R77 H78N43-V74 HydrophobicContact CB-CG1 4.35Å; D46-V74 HydrophobicContact CB-CG2 3.71Å; V47-V74 HydrophobicContact CG2-CG1 4.04Å; V47-V74 HydrophobicContact CG2-CG2 4.12Å; K70-V74 WeakPolarHBondContact O-CG2 3.37Å; K70-V74 PolarHBondContact O-N 3.37Å; I71-V74 PolarHBondContact O-N 2.95Å; Q72-V74 PolarHBondContact O-N 3.34Å; V74-V76 PolarHBondContact O-N 3.48Å; V74-R77 PolarHBondContact O-N 2.96Å; V74-H78 VanDerWaalsContact O-CB 3.27Å; V74-H78 WeakPolarHBondContact O-CB 3.35Å; V74-H78 PolarHBondContact O-N 3.49Å
75L96.2Very high94.3Very high98 Ų9863.4 Ų63.451%0.51333%0.329SS..Hα-helixtrans-60.4-45.5178.4-69.3174.9000111.8I71 Q72 S73 H78 A79I71-L75 HydrophobicContact CG2-CD1 4.34Å; I71-L75 WeakPolarHBondContact O-CG 3.5Å; I71-L75 PolarHBondContact O-N 3.19Å; Q72-L75 PolarHBondContact O-N 2.96Å; S73-L75 VanDerWaalsContact C-N 3.35Å; S73-L75 PolarHBondContact O-N 3.35Å; L75-H78 PolarHBondContact O-N 2.9Å; L75-A79 PolarHBondContact O-N 3.33Å
76V96.2Very high94.8Very high85 Ų8566 Ų6652%0.51533%0.332SS..Hα-helixtrans-63.4-47.2178173.30000111Q72 S73 V74 H78 A79 I80Q72-V76 WeakPolarHBondContact O-CG2 3.49Å; Q72-V76 PolarHBondContact O-N 2.81Å; Q72-V76 VanDerWaalsContact O-N 3.1Å; S73-V76 PolarHBondContact O-N 2.93Å; V74-V76 PolarHBondContact O-N 3.48Å; V76-H78 VanDerWaalsContact C-N 3.34Å; V76-H78 PolarHBondContact O-N 3.37Å; V76-A79 WeakPolarHBondContact O-CB 3.29Å; V76-A79 PolarHBondContact O-N 3.44Å; V76-I80 HydrophobicContact CG1-CD1 4.06Å; V76-I80 WeakPolarHBondContact O-CD1 3.35Å; V76-I80 WeakPolarHBondContact O-CG1 3.4Å; V76-I80 PolarHBondContact O-N 3.14Å; V76-I80 VanDerWaalsContact O-N 3.17Å
77R96.4Very high95.1Very high52 Ų5263.4 Ų63.420%0.19632%0.319CS..Hα-helixtrans-62.3-41.1177.7-69.8-174.9-151.51381.7111.8L39 A42 N43 D46 S73 V74 A79 I80 L81L39-R77 HydrophobicContact CD2-CB 4.16Å; L39-R77 HydrophobicContact CD2-CG 3.86Å; A42-R77 PolarHBondContact O-NH1 3.28Å; N43-R77 WeakPolarHBondContact OD1-CB 3.08Å; N43-R77 WeakPolarHBondContact OD1-CD 3.47Å; D46-R77 IonicContact OD2-CZ 2.75Å; D46-R77 VanDerWaalsContact OD2-CZ 3.28Å; D46-R77 IonicContact OD2-NH1 3.89Å; D46-R77 PolarHBondContact OD2-NH1 2.9Å; D46-R77 IonicContact OD2-NH2 3.82Å; D46-R77 PolarHBondContact OD2-NH2 3.49Å; S73-R77 WeakPolarHBondContact O-CG 3.48Å; S73-R77 PolarHBondContact O-N 3.5Å; S73-R77 PolarHBondContact OG-NH2 3.31Å; V74-R77 PolarHBondContact O-N 2.96Å; R77-A79 PolarHBondContact O-N 3.4Å; R77-I80 WeakPolarHBondContact O-CB 3.4Å; R77-I80 PolarHBondContact O-N 3.28Å; R77-L81 WeakPolarHBondContact O-CG 3.32Å; R77-L81 PolarHBondContact O-N 3.08Å
78H96.8Very high95.5Very high98 Ų9862.8 Ų62.845%0.45432%0.316SS..Hα-helixtrans-62.1-41.8175.6-17571.7000112.3V74 L75 V76 I80 L81 E82V74-H78 VanDerWaalsContact O-CB 3.27Å; V74-H78 WeakPolarHBondContact O-CB 3.35Å; V74-H78 PolarHBondContact O-N 3.49Å; L75-H78 PolarHBondContact O-N 2.9Å; V76-H78 VanDerWaalsContact C-N 3.34Å; V76-H78 PolarHBondContact O-N 3.37Å; H78-I80 PolarHBondContact O-N 2.92Å; H78-L81 WeakPolarHBondContact O-CB 3.41Å; H78-L81 PolarHBondContact O-N 2.94Å; H78-E82 PolarHBondContact O-N 3.28Å
79A96.3Very high95.9Very high60 Ų6065.3 Ų65.350%0.49633%0.325SS..Hα-helixtrans-60.5-34.9174.900000112.6L75 V76 R77 R83L75-A79 PolarHBondContact O-N 3.33Å; V76-A79 WeakPolarHBondContact O-CB 3.29Å; V76-A79 PolarHBondContact O-N 3.44Å; R77-A79 PolarHBondContact O-N 3.4Å; A79-R83 WeakPolarHBondContact O-CB 3.36Å; A79-R83 PolarHBondContact O-N 2.87Å
80I95.3Very high96Very high17 Ų1763.3 Ų63.39%0.08732%0.321CS..Hα-helixtrans-70.9-41.1176.2-63.2155.4000111.2L2 A3 L39 V76 R77 H78 E82 R83 N84L2-I80 HydrophobicContact CB-CD1 3.79Å; L2-I80 HydrophobicContact CB-CG1 3.95Å; L2-I80 HydrophobicContact CB-CG2 3.98Å; L2-I80 HydrophobicContact CD1-CD1 3.24Å; L2-I80 HydrophobicContact CD1-CG1 4.2Å; L2-I80 HydrophobicContact CD2-CD1 4.09Å; L2-I80 HydrophobicContact CG-CD1 3.83Å; A3-I80 HydrophobicContact CB-CG2 4.39Å; L39-I80 HydrophobicContact CD1-CB 4.12Å; L39-I80 HydrophobicContact CD1-CG2 3.57Å; V76-I80 HydrophobicContact CG1-CD1 4.06Å; V76-I80 WeakPolarHBondContact O-CD1 3.35Å; V76-I80 WeakPolarHBondContact O-CG1 3.4Å; V76-I80 PolarHBondContact O-N 3.14Å; V76-I80 VanDerWaalsContact O-N 3.17Å; R77-I80 WeakPolarHBondContact O-CB 3.4Å; R77-I80 PolarHBondContact O-N 3.28Å; H78-I80 PolarHBondContact O-N 2.92Å; I80-E82 PolarHBondContact O-N 3.43Å; I80-R83 WeakPolarHBondContact O-CB 3.32Å; I80-R83 PolarHBondContact O-N 3.45Å; I80-N84 PolarHBondContact O-N 2.91Å
81L96.5Very high96.2Very high16 Ų1661.5 Ų61.58%0.08431%0.313CS..Hα-helixtrans-55.8-50.7173.4-71.3174000111.4M36 L39 R77 H78 R83 N84 K85M36-L81 VanDerWaalsContact CA-CD2 3.49Å; M36-L81 HydrophobicContact CB-CD2 3.73Å; M36-L81 HydrophobicContact CG-CD2 3.93Å; M36-L81 WeakPolarHBondContact O-CD2 3.31Å; L39-L81 HydrophobicContact CB-CD1 4.46Å; L39-L81 HydrophobicContact CB-CD2 3.73Å; L39-L81 HydrophobicContact CB-CG 4.05Å; L39-L81 HydrophobicContact CD1-CD2 4.2Å; L39-L81 HydrophobicContact CD1-CG 4.47Å; R77-L81 WeakPolarHBondContact O-CG 3.32Å; R77-L81 PolarHBondContact O-N 3.08Å; H78-L81 WeakPolarHBondContact O-CB 3.41Å; H78-L81 PolarHBondContact O-N 2.94Å; L81-R83 VanDerWaalsContact C-N 3.27Å; L81-R83 PolarHBondContact O-N 2.92Å; L81-N84 PolarHBondContact O-N 3.38Å; L81-K85 WeakPolarHBondContact O-CB 3.45Å; L81-K85 PolarHBondContact O-N 3.32Å
82E96.6Very high96.4Very high68 Ų6860.1 Ų60.132%0.31831%0.305SS..Hα-helixtrans-62.9-35.2178.3-76.9-59.8135.700112.1H78 I80 K85 R86H78-E82 PolarHBondContact O-N 3.28Å; I80-E82 PolarHBondContact O-N 3.43Å; E82-K85 IonicContact OE1-NZ 3.71Å; E82-R86 VanDerWaalsContact O-CB 3.3Å; E82-R86 WeakPolarHBondContact O-CB 3.5Å; E82-R86 PolarHBondContact O-N 2.85Å
83R95.8Very high96.5Very high105 Ų10560.7 Ų60.740%0.39631%0.307SS..Hα-helixtrans-64.9-49.5173.1-177.6177.9175.7174.80.6112A3 A79 I80 L81 R86 C87A3-R83 HydrophobicContact CB-CG 4.16Å; A79-R83 WeakPolarHBondContact O-CB 3.36Å; A79-R83 PolarHBondContact O-N 2.87Å; I80-R83 WeakPolarHBondContact O-CB 3.32Å; I80-R83 PolarHBondContact O-N 3.45Å; L81-R83 VanDerWaalsContact C-N 3.27Å; L81-R83 PolarHBondContact O-N 2.92Å; R83-R86 PolarHBondContact O-N 3.23Å; R83-C87 WeakPolarHBondContact O-CB 3.5Å; R83-C87 PolarHBondContact O-N 3Å; R83-C87 PolarHBondContact O-SG 3.24Å; R83-C87 VanDerWaalsContact O-SG 3.39Å
84N95.7Very high96.4Very high0 Ų060.6 Ų60.60%031%0.309CS..Hα-helixtrans-60.6-47.2178.5-92.7-23.7000111A3 S6 E35 M36 I80 L81 R86 C87 L88A3-N84 WeakPolarHBondContact CA-OD1 3.5Å; A3-N84 WeakPolarHBondContact CB-OD1 3.38Å; S6-N84 WeakPolarHBondContact CB-OD1 3.48Å; S6-N84 PolarHBondContact OG-OD1 2.75Å; E35-N84 PolarHBondContact OE2-ND2 3.08Å; M36-N84 HydrophobicContact CG-CB 3.71Å; M36-N84 HydrophobicContact SD-CB 3.69Å; I80-N84 PolarHBondContact O-N 2.91Å; L81-N84 PolarHBondContact O-N 3.38Å; N84-R86 PolarHBondContact O-N 2.84Å; N84-C87 PolarHBondContact O-N 3.38Å; N84-L88 WeakPolarHBondContact O-CG 3.4Å; N84-L88 PolarHBondContact O-N 2.89Å
85K97.1Very high96.4Very high97 Ų9759.4 Ų59.442%0.42230%0.301SS..Hα-helixtrans-53.7-51.9174.6178.7-177.9172.2-172.50111.9M36 L81 E82 C87 L88 L89M36-K85 HydrophobicContact CE-CB 4.01Å; L81-K85 WeakPolarHBondContact O-CB 3.45Å; L81-K85 PolarHBondContact O-N 3.32Å; E82-K85 IonicContact OE1-NZ 3.71Å; K85-C87 VanDerWaalsContact C-N 3.3Å; K85-C87 PolarHBondContact O-N 3.15Å; K85-L88 PolarHBondContact O-N 2.7Å; K85-L89 HydrophobicContact CG-CD1 4.05Å; K85-L89 WeakPolarHBondContact O-CB 3.27Å; K85-L89 WeakPolarHBondContact O-CG 3.39Å; K85-L89 PolarHBondContact O-N 2.86Å
86R97.1Very high96.4Very high151 Ų15156.6 Ų56.657%0.5729%0.287SS*.Hα-helixtrans-59-42.7178.7-170.1-176.2-55.5102.26.3111.7E82 R83 N84 A90E82-R86 VanDerWaalsContact O-CB 3.3Å; E82-R86 WeakPolarHBondContact O-CB 3.5Å; E82-R86 PolarHBondContact O-N 2.85Å; R83-R86 PolarHBondContact O-N 3.23Å; N84-R86 PolarHBondContact O-N 2.84Å; R86-A90 VanDerWaalsContact O-CB 3.3Å; R86-A90 WeakPolarHBondContact O-CB 3.46Å; R86-A90 PolarHBondContact O-N 3.37Å
87C96.1Very high96.3Very high17 Ų1755.8 Ų55.812%0.11528%0.278CS..Hα-helixtrans-65.9-43.9179.6-74.70000112.5I10 R83 N84 K85 A90 Y91I10-C87 HydrophobicContact CD1-CB 3.69Å; R83-C87 WeakPolarHBondContact O-CB 3.5Å; R83-C87 PolarHBondContact O-N 3Å; R83-C87 PolarHBondContact O-SG 3.24Å; R83-C87 VanDerWaalsContact O-SG 3.39Å; N84-C87 PolarHBondContact O-N 3.38Å; K85-C87 VanDerWaalsContact C-N 3.3Å; K85-C87 PolarHBondContact O-N 3.15Å; C87-A90 PolarHBondContact O-N 3.1Å; C87-Y91 WeakPolarHBondContact O-CB 3.44Å; C87-Y91 PolarHBondContact O-N 3.1Å
88L97.1Very high96.2Very high13 Ų1355.4 Ų55.47%0.06828%0.277CS..Hα-helixtrans-63.3-46.5176.7-67.8176.2000111.2L9 I29 C32 L33 M36 N84 K85 A90 Y91 H92L9-L88 HydrophobicContact CD1-CD2 4.11Å; I29-L88 HydrophobicContact CG1-CD2 4.26Å; C32-L88 HydrophobicContact CB-CD1 4.12Å; C32-L88 HydrophobicContact CB-CD2 4.06Å; C32-L88 HydrophobicContact CB-CG 4.46Å; L33-L88 HydrophobicContact CD2-CD1 4.04Å; M36-L88 HydrophobicContact SD-CD1 3.93Å; N84-L88 WeakPolarHBondContact O-CG 3.4Å; N84-L88 PolarHBondContact O-N 2.89Å; K85-L88 PolarHBondContact O-N 2.7Å; L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A90 PolarHBondContact O-N 2.88Å; L88-Y91 WeakPolarHBondContact O-CB 3.41Å; L88-Y91 PolarHBondContact O-N 3.23Å; L88-H92 PolarHBondContact O-CD2 3.04Å; L88-H92 PolarHBondContact O-N 3.33Å
89L97.7Very high96.1Very high109 Ų10950.8 Ų50.857%0.57126%0.255SS*.Hα-helixtrans-60-42.9176.5-70.7175.1000112.1K85 H92 H93K85-L89 HydrophobicContact CG-CD1 4.05Å; K85-L89 WeakPolarHBondContact O-CB 3.27Å; K85-L89 WeakPolarHBondContact O-CG 3.39Å; K85-L89 PolarHBondContact O-N 2.86Å; L89-H92 PolarHBondContact O-N 3.18Å; L89-H93 VanDerWaalsContact O-CB 3.26Å; L89-H93 WeakPolarHBondContact O-CB 3.2Å; L89-H93 PolarHBondContact O-N 3.39Å
90A96.5Very high96Very high48 Ų4851.9 Ų51.940%0.39725%0.249SC..Hα-helixtrans-63.1-41.9176.400000112I10 R86 C87 L88 A94I10-A90 HydrophobicContact CD1-CB 4.39Å; R86-A90 VanDerWaalsContact O-CB 3.3Å; R86-A90 WeakPolarHBondContact O-CB 3.46Å; R86-A90 PolarHBondContact O-N 3.37Å; C87-A90 PolarHBondContact O-N 3.1Å; L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A90 PolarHBondContact O-N 2.88Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.4Å; A90-A94 PolarHBondContact O-N 3.34Å
91Y96.3Very high95.8Very high6 Ų654.2 Ų54.22%0.02426%0.26CS..Hα-helixtrans-60.1-51.7175.3171-97.8000111.5L9 L13 Y24 G25 I29 C87 L88 A94 R95L9-Y91 HydrophobicContact CB-CD2 3.79Å; L9-Y91 HydrophobicContact CB-CE2 4.03Å; L9-Y91 HydrophobicContact CB-CG 4.25Å; L9-Y91 HydrophobicContact CD2-CD2 4.43Å; L9-Y91 HydrophobicContact CD2-CE1 4.49Å; L9-Y91 HydrophobicContact CD2-CE2 3.88Å; L13-Y91 HydrophobicContact CB-CD2 4.22Å; L13-Y91 HydrophobicContact CB-CE2 4.22Å; L13-Y91 HydrophobicContact CD2-CD2 3.93Å; L13-Y91 HydrophobicContact CD2-CE2 4.29Å; Y24-Y91 HydrophobicContact CD2-CE1 4.43Å; Y24-Y91 HydrophobicContact CE2-CE1 4.26Å; G25-Y91 PolarHBondContact N-OH 3.31Å; G25-Y91 VanDerWaalsContact N-OH 3.1Å; I29-Y91 HydrophobicContact CD1-CD1 4.33Å; I29-Y91 HydrophobicContact CD1-CE1 3.77Å; C87-Y91 WeakPolarHBondContact O-CB 3.44Å; C87-Y91 PolarHBondContact O-N 3.1Å; L88-Y91 WeakPolarHBondContact O-CB 3.41Å; L88-Y91 PolarHBondContact O-N 3.23Å; Y91-A94 PolarHBondContact O-N 3.28Å; Y91-R95 HydrophobicContact CE1-CG 4.47Å; Y91-R95 HydrophobicContact CE2-CG 4.4Å; Y91-R95 WeakPolarHBondContact O-CG 3.45Å; Y91-R95 PolarHBondContact O-N 2.96Å; Y91-R95 WeakPolarHBondContact OH-CD 3.46Å
92H97.4Very high95.5Very high53 Ų5353.9 Ų53.925%0.24526%0.258CS..Hα-helixtrans-62.5-46.4179.2-69.7-60.2000111.7Y24 L88 L89 A94 R95 L96Y24-H92 AromaticContact CE2-CE1 3.81Å; Y24-H92 PolarHBondContact OH-CE1 3.27Å; L88-H92 PolarHBondContact O-CD2 3.04Å; L88-H92 PolarHBondContact O-N 3.33Å; L89-H92 PolarHBondContact O-N 3.18Å; H92-A94 VanDerWaalsContact C-N 3.35Å; H92-A94 PolarHBondContact O-N 3.16Å; H92-R95 PolarHBondContact O-N 2.97Å; H92-L96 WeakPolarHBondContact O-CG 3.26Å; H92-L96 PolarHBondContact O-N 2.89Å
93H96.7Very high95.3Very high114 Ų11451 Ų5153%0.52824%0.244SC..Hα-helixtrans-58.6-47.1178.9179.445.6000111.9L89 R95 L96 M97L89-H93 VanDerWaalsContact O-CB 3.26Å; L89-H93 WeakPolarHBondContact O-CB 3.2Å; L89-H93 PolarHBondContact O-N 3.39Å; H93-R95 VanDerWaalsContact C-N 3.31Å; H93-R95 PolarHBondContact O-N 2.67Å; H93-L96 PolarHBondContact O-N 3.38Å; H93-M97 WeakPolarHBondContact O-CG 3.3Å; H93-M97 PolarHBondContact O-N 3.05Å
94A94.8Very high95Very high40 Ų4049.1 Ų49.133%0.33124%0.237SC..Hα-helixtrans-61.7-38.217800000112.4L13 A90 Y91 H92 R98L13-A94 HydrophobicContact CD2-CB 3.53Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.4Å; A90-A94 PolarHBondContact O-N 3.34Å; Y91-A94 PolarHBondContact O-N 3.28Å; H92-A94 VanDerWaalsContact C-N 3.35Å; H92-A94 PolarHBondContact O-N 3.16Å; A94-R98 PolarHBondContact O-N 3.41Å
95R95.7Very high94.6Very high0 Ų054.4 Ų54.40%026%0.261CS..Hα-helixtrans-64.8-47.7173.3-72.8-17761.891-2.2112L13 L21 P22 Y91 H92 H93 M97 R98 I99 S117 E122L13-R95 HydrophobicContact CD1-CG 3.68Å; L13-R95 HydrophobicContact CD2-CG 3.71Å; L13-R95 HydrophobicContact CG-CG 4.37Å; L21-R95 HydrophobicContact CD1-CG 4.37Å; P22-R95 PolarHBondContact O-NH1 3.05Å; Y91-R95 HydrophobicContact CE1-CG 4.47Å; Y91-R95 HydrophobicContact CE2-CG 4.4Å; Y91-R95 WeakPolarHBondContact O-CG 3.45Å; Y91-R95 PolarHBondContact O-N 2.96Å; Y91-R95 WeakPolarHBondContact OH-CD 3.46Å; H92-R95 PolarHBondContact O-N 2.97Å; H93-R95 VanDerWaalsContact C-N 3.31Å; H93-R95 PolarHBondContact O-N 2.67Å; R95-M97 VanDerWaalsContact C-N 3.28Å; R95-M97 PolarHBondContact O-N 2.6Å; R95-R98 PolarHBondContact O-N 3.13Å; R95-R98 VanDerWaalsContact O-N 3.1Å; R95-I99 HydrophobicContact CB-CD1 4.42Å; R95-I99 WeakPolarHBondContact O-CD1 3.49Å; R95-I99 VanDerWaalsContact O-CG1 3.26Å; R95-I99 WeakPolarHBondContact O-CG1 3.33Å; R95-I99 PolarHBondContact O-N 3.33Å; R95-S117 PolarHBondContact NH2-O 3.48Å; R95-E122 WeakPolarHBondContact CD-OE1 3.45Å; R95-E122 IonicContact CZ-OE1 2.98Å; R95-E122 IonicContact CZ-OE2 3.8Å; R95-E122 IonicContact NE-OE1 2.63Å; R95-E122 PolarHBondContact NE-OE1 2.88Å; R95-E122 IonicContact NE-OE2 3.28Å; R95-E122 IonicContact NH2-OE1 3.38Å; R95-E122 IonicContact NH2-OE2 2.66Å; R95-E122 PolarHBondContact NH2-OE2 3.3Å
96L96.2Very high94Very high39 Ų3952.3 Ų52.320%0.20426%0.258CS..Hα-helixtrans-60.6-36.3179.2-67.5-179.5000112.4H92 H93 I99 K100 E122 W125H92-L96 WeakPolarHBondContact O-CG 3.26Å; H92-L96 PolarHBondContact O-N 2.89Å; H93-L96 PolarHBondContact O-N 3.38Å; L96-I99 HydrophobicContact CD2-CD1 4.22Å; L96-I99 PolarHBondContact O-N 2.88Å; L96-K100 WeakPolarHBondContact O-CB 3.36Å; L96-K100 PolarHBondContact O-N 3.44Å; L96-E122 HydrophobicContact CD2-CG 4.33Å; L96-W125 HydrophobicContact CB-CH2 4.32Å; L96-W125 HydrophobicContact CB-CZ2 4.34Å; L96-W125 HydrophobicContact CD2-CB 4.36Å; L96-W125 HydrophobicContact CD2-CD2 3.65Å; L96-W125 HydrophobicContact CD2-CE3 3.78Å; L96-W125 HydrophobicContact CD2-CG 3.89Å; L96-W125 HydrophobicContact CD2-CZ3 4.35Å
97M94.8Very high93.6Very high69 Ų6946.3 Ų46.334%0.3424%0.244SC..Hα-helixtrans-65.5-39.5174.9-67.3-55.697.300112.2H93 R95 K100 E101H93-M97 WeakPolarHBondContact O-CG 3.3Å; H93-M97 PolarHBondContact O-N 3.05Å; R95-M97 VanDerWaalsContact C-N 3.28Å; R95-M97 PolarHBondContact O-N 2.6Å; M97-K100 VanDerWaalsContact O-CB 3.3Å; M97-K100 WeakPolarHBondContact O-CB 3.43Å; M97-K100 PolarHBondContact O-N 2.99Å; M97-E101 WeakPolarHBondContact O-CG 3.29Å; M97-E101 PolarHBondContact O-N 3.21Å; M97-E101 VanDerWaalsContact O-N 3.16Å
98R93Very high93.3Very high44 Ų4451.3 Ų51.317%0.16627%0.268CS..Hα-helixtrans-67.5-40.2172.6-67.7179.2-177177.3-0.4112.1L13 S16 L21 A94 R95 K100 E101 L102L13-R98 VanDerWaalsContact O-CZ 3.32Å; L13-R98 PolarHBondContact O-NH1 3.02Å; L13-R98 PolarHBondContact O-NH2 3.44Å; S16-R98 PolarHBondContact OG-NH1 2.89Å; L21-R98 HydrophobicContact CD1-CB 3.95Å; L21-R98 HydrophobicContact CD1-CG 4.43Å; A94-R98 PolarHBondContact O-N 3.41Å; R95-R98 PolarHBondContact O-N 3.13Å; R95-R98 VanDerWaalsContact O-N 3.1Å; R98-K100 VanDerWaalsContact C-N 3.26Å; R98-K100 PolarHBondContact O-N 2.57Å; R98-E101 WeakPolarHBondContact O-CA 3.42Å; R98-E101 WeakPolarHBondContact O-CB 3.38Å; R98-E101 PolarHBondContact O-N 3.48Å; R98-E101 VanDerWaalsContact O-N 3.07Å; R98-L102 PolarHBondContact O-N 2.93Å
99I94.6Very high93Very high0 Ų057.3 Ų57.30%030%0.299CS..Hα-helixtrans-63.2-36.3176.6-67.1159.6000111.1L21 R95 L96 E101 L102 L118 E122 W125 F126L21-I99 HydrophobicContact CD2-CD1 4.22Å; L21-I99 HydrophobicContact CD2-CG1 3.92Å; R95-I99 HydrophobicContact CB-CD1 4.42Å; R95-I99 WeakPolarHBondContact O-CD1 3.49Å; R95-I99 VanDerWaalsContact O-CG1 3.26Å; R95-I99 WeakPolarHBondContact O-CG1 3.33Å; R95-I99 PolarHBondContact O-N 3.33Å; L96-I99 HydrophobicContact CD2-CD1 4.22Å; L96-I99 PolarHBondContact O-N 2.88Å; I99-E101 VanDerWaalsContact C-N 3.35Å; I99-L102 WeakPolarHBondContact O-CB 3.42Å; I99-L102 PolarHBondContact O-N 2.8Å; I99-L118 HydrophobicContact CD1-CD2 3.57Å; I99-L118 HydrophobicContact CG1-CD2 3.64Å; I99-E122 HydrophobicContact CD1-CB 3.87Å; I99-E122 HydrophobicContact CD1-CG 3.78Å; I99-W125 HydrophobicContact CB-CZ3 4.27Å; I99-W125 HydrophobicContact CG2-CE3 3.97Å; I99-W125 HydrophobicContact CG2-CZ3 3.91Å; I99-F126 HydrophobicContact CG2-CB 3.86Å; I99-F126 HydrophobicContact CG2-CD2 3.59Å; I99-F126 HydrophobicContact CG2-CG 4.15Å
100K94.6Very high92.6Very high84 Ų8452.8 Ų52.837%0.36528%0.275SS..Hα-helixtrans-58-48.4170.6-170.8-173169.9-175.30110.6L96 M97 R98 L102 R103 W125 Y129L96-K100 WeakPolarHBondContact O-CB 3.36Å; L96-K100 PolarHBondContact O-N 3.44Å; M97-K100 VanDerWaalsContact O-CB 3.3Å; M97-K100 WeakPolarHBondContact O-CB 3.43Å; M97-K100 PolarHBondContact O-N 2.99Å; R98-K100 VanDerWaalsContact C-N 3.26Å; R98-K100 PolarHBondContact O-N 2.57Å; K100-L102 VanDerWaalsContact C-N 3.27Å; K100-L102 PolarHBondContact O-N 3.15Å; K100-R103 WeakPolarHBondContact O-CB 3.43Å; K100-R103 PolarHBondContact O-N 3.42Å; K100-R103 VanDerWaalsContact O-N 3.14Å; K100-W125 HydrophobicContact CB-CH2 4.05Å; K100-W125 HydrophobicContact CB-CZ3 4.41Å; K100-Y129 HydrophobicContact CD-CE2 4.34Å; K100-Y129 VanDerWaalsContact CE-OH 3.29Å; K100-Y129 WeakPolarHBondContact CE-OH 3.35Å; K100-Y129 HydrophobicContact CG-CD1 4.45Å; K100-Y129 HydrophobicContact CG-CE1 3.79Å; K100-Y129 HydrophobicContact CG-CE2 3.95Å
101E91.6Very high92.3Very high66 Ų6653.2 Ų53.231%0.30827%0.274SS..Hα-helixtrans-59.7-35.9178.4-67.6165176.300112.1Q18 M97 R98 I99 R103 W104 E105Q18-E101 VanDerWaalsContact NE2-CD 3.33Å; Q18-E101 PolarHBondContact NE2-OE1 3.48Å; Q18-E101 PolarHBondContact NE2-OE2 2.92Å; M97-E101 WeakPolarHBondContact O-CG 3.29Å; M97-E101 PolarHBondContact O-N 3.21Å; M97-E101 VanDerWaalsContact O-N 3.16Å; R98-E101 WeakPolarHBondContact O-CA 3.42Å; R98-E101 WeakPolarHBondContact O-CB 3.38Å; R98-E101 PolarHBondContact O-N 3.48Å; R98-E101 VanDerWaalsContact O-N 3.07Å; I99-E101 VanDerWaalsContact C-N 3.35Å; E101-R103 PolarHBondContact O-N 2.95Å; E101-W104 CarbonylContact O-C 3.49Å; E101-W104 WeakPolarHBondContact O-CA 3.4Å; E101-W104 WeakPolarHBondContact O-CB 3.49Å; E101-W104 PolarHBondContact O-N 3.4Å; E101-E105 PolarHBondContact O-N 3.47Å
102L90.7Very high92Very high9 Ų959.6 Ų59.65%0.04730%0.302CS..Hα-helixtrans-58.1-33.8175.6-64.9174.8000113.4R98 I99 K100 W104 E105 C106 L110 I114 F126R98-L102 PolarHBondContact O-N 2.93Å; I99-L102 WeakPolarHBondContact O-CB 3.42Å; I99-L102 PolarHBondContact O-N 2.8Å; K100-L102 VanDerWaalsContact C-N 3.27Å; K100-L102 PolarHBondContact O-N 3.15Å; L102-W104 PolarHBondContact O-N 3.39Å; L102-E105 PolarHBondContact O-N 3.39Å; L102-C106 WeakPolarHBondContact O-CB 3.25Å; L102-C106 PolarHBondContact O-N 2.86Å; L102-L110 HydrophobicContact CB-CD2 3.82Å; L102-L110 HydrophobicContact CD1-CD2 4.32Å; L102-I114 HydrophobicContact CD1-CG2 3.45Å; L102-I114 VanDerWaalsContact CD1-CG2 3.45Å; L102-I114 HydrophobicContact CD2-CD1 4.08Å; L102-I114 HydrophobicContact CD2-CG2 4.29Å; L102-F126 HydrophobicContact CB-CE2 4.34Å
103R91.8Very high91.7Very high8 Ų863.6 Ų63.63%0.0333%0.325CS..Hα-helixtrans-66.5-26.5175.5172.749.8-179.958.92.1111.5K100 E101 G107 F126 Y129 C130 L133K100-R103 WeakPolarHBondContact O-CB 3.43Å; K100-R103 PolarHBondContact O-N 3.42Å; K100-R103 VanDerWaalsContact O-N 3.14Å; E101-R103 PolarHBondContact O-N 2.95Å; R103-G107 WeakPolarHBondContact CD-O 3.35Å; R103-G107 WeakPolarHBondContact O-CA 3.45Å; R103-G107 PolarHBondContact O-N 3.12Å; R103-F126 HydrophobicContact CB-CD2 4.42Å; R103-F126 HydrophobicContact CB-CE2 3.51Å; R103-F126 HydrophobicContact CB-CZ 3.93Å; R103-Y129 HydrophobicContact CB-CD1 3.98Å; R103-Y129 HydrophobicContact CB-CE1 3.85Å; R103-Y129 HydrophobicContact CG-CD1 3.89Å; R103-Y129 HydrophobicContact CG-CE1 3.7Å; R103-C130 WeakPolarHBondContact CD-SG 3.45Å; R103-L133 HydrophobicContact CG-CD2 4.22Å; R103-L133 VanDerWaalsContact CZ-CD2 3.43Å
104W89.7Confident91.4Very high64 Ų6459.7 Ų59.724%0.24231%0.308CS..Hα-helixtrans-86.7-35.2176.7-66104000109.8E101 L102 Y129 L133 L152 T153 R156E101-W104 CarbonylContact O-C 3.49Å; E101-W104 WeakPolarHBondContact O-CA 3.4Å; E101-W104 WeakPolarHBondContact O-CB 3.49Å; E101-W104 PolarHBondContact O-N 3.4Å; L102-W104 PolarHBondContact O-N 3.39Å; W104-Y129 AromaticContact NE1-CE1 3.97Å; W104-Y129 AromaticContact NE1-CZ 3.85Å; W104-Y129 PolarHBondContact NE1-OH 2.94Å; W104-L133 HydrophobicContact CH2-CD1 4.07Å; W104-L133 HydrophobicContact CH2-CD2 3.92Å; W104-L133 HydrophobicContact CZ2-CD1 4.16Å; W104-L133 HydrophobicContact CZ2-CD2 3.64Å; W104-L152 HydrophobicContact CH2-CB 4.16Å; W104-L152 HydrophobicContact CZ3-CB 4.12Å; W104-T153 HydrophobicContact CE3-CG2 4.18Å; W104-T153 HydrophobicContact CZ3-CG2 4.06Å; W104-R156 VanDerWaalsContact C-NH2 3.28Å; W104-R156 VanDerWaalsContact CA-NH2 3.29Å; W104-R156 VanDerWaalsContact CB-NH1 3.31Å; W104-R156 PolarHBondContact O-NH1 2.94Å; W104-R156 PolarHBondContact O-NH2 3.31Å
105E86Confident91.2Very high111 Ų11163 Ų6352%0.51931%0.312SS..Hα-helixtrans-82.4-46.8-179.2-67.1175.7-177.800113.8E101 L102E101-E105 PolarHBondContact O-N 3.47Å; L102-E105 PolarHBondContact O-N 3.39Å
106C85.2Confident91.1Very high53 Ų5368.1 Ų68.136%0.35834%0.339SS..THydrogen-bonded Turntrans-103.9-12.1-174.2-55.70000113.6L102 L110L102-C106 WeakPolarHBondContact O-CB 3.25Å; L102-C106 PolarHBondContact O-N 2.86Å; C106-L110 HydrophobicContact CB-CD2 4.35Å
107G88.6Confident90.9Very high26 Ų2666.9 Ų66.927%0.26833%0.333SS..  trans81-148.2-174.800000113R103R103-G107 WeakPolarHBondContact CD-O 3.35Å; R103-G107 WeakPolarHBondContact O-CA 3.45Å; R103-G107 PolarHBondContact O-N 3.12Å
108I90.3Very high90.9Very high121 Ų12164 Ų6462%0.62132%0.32SS*.SBendtrans-78.5-35.9-172-58.2171.3000111.7F126I108-F126 WeakPolarHBondContact O-CE1 3.45Å
109I90.4Very high91.1Very high139 Ų13963 Ų6371%0.71332%0.319SS*.SBendtrans-95.8109.3-176.1-58.2174.8000108.3
110L90Very high91.2Very high14 Ų1471.1 Ų71.17%0.07336%0.357CS..  trans-75.1136.5175.1-63.5180000110.9L102 C106 R115 L118 F126L102-L110 HydrophobicContact CB-CD2 3.82Å; L102-L110 HydrophobicContact CD1-CD2 4.32Å; C106-L110 HydrophobicContact CB-CD2 4.35Å; L110-R115 PolarHBondContact O-NH2 2.97Å; L110-L118 HydrophobicContact CD1-CD1 3.72Å; L110-F126 HydrophobicContact CD1-CD1 3.87Å; L110-F126 HydrophobicContact CD1-CD2 4.28Å; L110-F126 HydrophobicContact CD1-CE1 3.79Å; L110-F126 HydrophobicContact CD1-CE2 4.15Å; L110-F126 HydrophobicContact CD1-CG 4.13Å; L110-F126 HydrophobicContact CD1-CZ 3.93Å; L110-F126 HydrophobicContact CD2-CE1 4.03Å; L110-F126 HydrophobicContact CD2-CE2 3.89Å; L110-F126 HydrophobicContact CD2-CZ 3.48Å; L110-F126 VanDerWaalsContact CD2-CZ 3.48Å; L110-F126 HydrophobicContact CG-CD1 4.23Å; L110-F126 HydrophobicContact CG-CE1 3.63Å; L110-F126 HydrophobicContact CG-CE2 4.26Å; L110-F126 HydrophobicContact CG-CZ 3.64Å
111P90Very high91.3Very high57 Ų5770.7 Ų70.737%0.3737%0.37SS..  trans-49.7144.7166.2-26.334.1000111.2D113 I114 R115P111-D113 VanDerWaalsContact C-N 3.31Å; P111-D113 PolarHBondContact O-N 3Å; P111-I114 HydrophobicContact CB-CD1 4.35Å; P111-I114 HydrophobicContact CB-CG1 4.36Å; P111-I114 HydrophobicContact CG-CD1 4.06Å; P111-I114 PolarHBondContact O-N 3Å; P111-I114 VanDerWaalsContact O-N 3.16Å; P111-R115 PolarHBondContact O-N 2.93Å
112K90.8Very high91.6Very high141 Ų14168 Ų6861%0.61336%0.357SS*.Hα-helixtrans-55.9-46.5-175.2-173.4-177.9175-172.60111.8I114 R115 D116K112-I114 VanDerWaalsContact C-N 3.25Å; K112-I114 PolarHBondContact O-N 3.44Å; K112-R115 WeakPolarHBondContact O-CB 3.48Å; K112-R115 PolarHBondContact O-N 3.4Å; K112-R115 VanDerWaalsContact O-N 3.08Å; K112-D116 WeakPolarHBondContact CE-OD2 3.27Å; K112-D116 WeakPolarHBondContact CG-OD2 3.18Å; K112-D116 VanDerWaalsContact O-CG 3.26Å; K112-D116 PolarHBondContact O-N 3.41Å
113D89.4Confident91.8Very high137 Ų13770 Ų7073%0.73337%0.366SS*.Hα-helixtrans-58.4-37.9-178.4-50.3-25.5000112.7P111P111-D113 VanDerWaalsContact C-N 3.31Å; P111-D113 PolarHBondContact O-N 3Å
114I90.2Very high92.1Very high32 Ų3272.5 Ų72.516%0.16439%0.388CS..Hα-helixtrans-73.8-44.8177.6-60.3-179.8000109.8L102 P111 K112 D116 S117 L118L102-I114 HydrophobicContact CD1-CG2 3.45Å; L102-I114 VanDerWaalsContact CD1-CG2 3.45Å; L102-I114 HydrophobicContact CD2-CD1 4.08Å; L102-I114 HydrophobicContact CD2-CG2 4.29Å; P111-I114 HydrophobicContact CB-CD1 4.35Å; P111-I114 HydrophobicContact CB-CG1 4.36Å; P111-I114 HydrophobicContact CG-CD1 4.06Å; P111-I114 PolarHBondContact O-N 3Å; P111-I114 VanDerWaalsContact O-N 3.16Å; K112-I114 VanDerWaalsContact C-N 3.25Å; K112-I114 PolarHBondContact O-N 3.44Å; I114-D116 VanDerWaalsContact C-N 3.31Å; I114-D116 PolarHBondContact O-N 2.94Å; I114-S117 WeakPolarHBondContact O-CB 3.32Å; I114-S117 PolarHBondContact O-N 3.16Å; I114-S117 VanDerWaalsContact O-N 3.1Å; I114-S117 PolarHBondContact O-OG 2.87Å; I114-L118 WeakPolarHBondContact O-CG 3.34Å
115R91.9Very high92.5Very high109 Ų10973.2 Ų73.241%0.41139%0.391SS..Hα-helixtrans-57.7-43.4178.7-172.2-162.6-47.8-176.44.6112.1L110 P111 K112 S117 L118 Q123L110-R115 PolarHBondContact O-NH2 2.97Å; P111-R115 PolarHBondContact O-N 2.93Å; K112-R115 WeakPolarHBondContact O-CB 3.48Å; K112-R115 PolarHBondContact O-N 3.4Å; K112-R115 VanDerWaalsContact O-N 3.08Å; R115-S117 PolarHBondContact O-N 3.21Å; R115-L118 WeakPolarHBondContact O-CB 2.75Å; R115-L118 PolarHBondContact O-N 3.24Å; R115-L118 VanDerWaalsContact O-N 3.12Å; R115-Q123 PolarHBondContact O-NE2 2.91Å
116D92.8Very high93Very high108 Ų10868.4 Ų68.458%0.57837%0.368SS*.Hα-helixtrans-68.6-19.5-178.6-65.1-9.6000111.9K112 I114 L118K112-D116 WeakPolarHBondContact CE-OD2 3.27Å; K112-D116 WeakPolarHBondContact CG-OD2 3.18Å; K112-D116 VanDerWaalsContact O-CG 3.26Å; K112-D116 PolarHBondContact O-N 3.41Å; I114-D116 VanDerWaalsContact C-N 3.31Å; I114-D116 PolarHBondContact O-N 2.94Å; D116-L118 VanDerWaalsContact C-N 3.35Å
117S92.9Very high93.6Very high12 Ų1272.7 Ų72.78%0.08438%0.381CS..THydrogen-bonded Turntrans-81.5-11.1174.680.30000114.3Y24 R95 I114 R115Y24-S117 PolarHBondContact N-O 2.94Å; R95-S117 PolarHBondContact NH2-O 3.48Å; I114-S117 WeakPolarHBondContact O-CB 3.32Å; I114-S117 PolarHBondContact O-N 3.16Å; I114-S117 VanDerWaalsContact O-N 3.1Å; I114-S117 PolarHBondContact O-OG 2.87Å; R115-S117 PolarHBondContact O-N 3.21Å
118L95.2Very high94Very high9 Ų977.2 Ų77.25%0.04740%0.395CS..SBendtrans-96.4139.9-176.1-60.6175.4000111.4L21 I99 L110 I114 R115 D116 E122 Q123L21-L118 HydrophobicContact CD2-CD2 3.44Å; L21-L118 VanDerWaalsContact CD2-CD2 3.44Å; I99-L118 HydrophobicContact CD1-CD2 3.57Å; I99-L118 HydrophobicContact CG1-CD2 3.64Å; L110-L118 HydrophobicContact CD1-CD1 3.72Å; I114-L118 WeakPolarHBondContact O-CG 3.34Å; R115-L118 WeakPolarHBondContact O-CB 2.75Å; R115-L118 PolarHBondContact O-N 3.24Å; R115-L118 VanDerWaalsContact O-N 3.12Å; D116-L118 VanDerWaalsContact C-N 3.35Å; L118-E122 HydrophobicContact CB-CB 4.18Å; L118-E122 HydrophobicContact CD2-CB 4.33Å; L118-Q123 HydrophobicContact CB-CG 3.71Å; L118-Q123 HydrophobicContact CD1-CG 4.21Å; L118-Q123 PolarHBondContact O-NE2 2.98Å; L118-Q123 VanDerWaalsContact O-NE2 3.12Å
119S96.2Very high94.3Very high22 Ų2273.5 Ų73.515%0.15437%0.373CS..  trans-65.6159.1167.162.20000111.8A121 E122 Q123S119-A121 PolarHBondContact O-N 3.04Å; S119-E122 PolarHBondContact N-OE2 3.45Å; S119-E122 WeakPolarHBondContact O-CB 3.32Å; S119-E122 PolarHBondContact O-N 3.39Å; S119-E122 VanDerWaalsContact O-N 3.08Å; S119-E122 WeakPolarHBondContact OG-CB 3.49Å; S119-E122 WeakPolarHBondContact OG-CG 3.36Å; S119-E122 PolarHBondContact OG-N 3.41Å; S119-E122 PolarHBondContact OG-OE2 2.95Å; S119-Q123 WeakPolarHBondContact O-CG 3.26Å; S119-Q123 PolarHBondContact O-N 3.4Å
120E96.3Very high94.6Very high171 Ų17167.5 Ų67.580%0.79934%0.343SS*.Hα-helixtrans-56.9-39.8176.7-63.3-174.9168.900112.4Q123 A124E120-Q123 PolarHBondContact O-N 3.45Å; E120-A124 WeakPolarHBondContact O-CB 3.4Å; E120-A124 PolarHBondContact O-N 3.2Å
121A97.1Very high94.8Very high76 Ų7669.5 Ų69.563%0.62836%0.359SS*.Hα-helixtrans-64.3-40176.500000112.2S119 A124 W125S119-A121 PolarHBondContact O-N 3.04Å; A121-A124 PolarHBondContact O-N 3.3Å; A121-W125 WeakPolarHBondContact O-CB 3.45Å; A121-W125 PolarHBondContact O-N 2.69Å
122E97.3Very high95Very high8 Ų869.5 Ų69.54%0.03736%0.359CS..Hα-helixtrans-66.2-39.4175-77.1172.6156.500111.9R95 L96 I99 L118 S119 W125 F126R95-E122 WeakPolarHBondContact CD-OE1 3.45Å; R95-E122 IonicContact CZ-OE1 2.98Å; R95-E122 IonicContact CZ-OE2 3.8Å; R95-E122 IonicContact NE-OE1 2.63Å; R95-E122 PolarHBondContact NE-OE1 2.88Å; R95-E122 IonicContact NE-OE2 3.28Å; R95-E122 IonicContact NH2-OE1 3.38Å; R95-E122 IonicContact NH2-OE2 2.66Å; R95-E122 PolarHBondContact NH2-OE2 3.3Å; L96-E122 HydrophobicContact CD2-CG 4.33Å; I99-E122 HydrophobicContact CD1-CB 3.87Å; I99-E122 HydrophobicContact CD1-CG 3.78Å; L118-E122 HydrophobicContact CB-CB 4.18Å; L118-E122 HydrophobicContact CD2-CB 4.33Å; S119-E122 PolarHBondContact N-OE2 3.45Å; S119-E122 WeakPolarHBondContact O-CB 3.32Å; S119-E122 PolarHBondContact O-N 3.39Å; S119-E122 VanDerWaalsContact O-N 3.08Å; S119-E122 WeakPolarHBondContact OG-CB 3.49Å; S119-E122 WeakPolarHBondContact OG-CG 3.36Å; S119-E122 PolarHBondContact OG-N 3.41Å; S119-E122 PolarHBondContact OG-OE2 2.95Å; E122-W125 PolarHBondContact O-N 3.42Å; E122-F126 WeakPolarHBondContact O-CB 3.29Å; E122-F126 PolarHBondContact O-N 2.89Å
123Q96.3Very high95Very high53 Ų5363.5 Ų63.525%0.24833%0.334CS..Hα-helixtrans-65.6-42175.3-66.5-18048.900111.8R115 L118 S119 E120 W125 F126 K127R115-Q123 PolarHBondContact O-NE2 2.91Å; L118-Q123 HydrophobicContact CB-CG 3.71Å; L118-Q123 HydrophobicContact CD1-CG 4.21Å; L118-Q123 PolarHBondContact O-NE2 2.98Å; L118-Q123 VanDerWaalsContact O-NE2 3.12Å; S119-Q123 WeakPolarHBondContact O-CG 3.26Å; S119-Q123 PolarHBondContact O-N 3.4Å; E120-Q123 PolarHBondContact O-N 3.45Å; Q123-W125 VanDerWaalsContact C-N 3.35Å; Q123-F126 PolarHBondContact O-N 3.2Å; Q123-K127 WeakPolarHBondContact O-CG 3.44Å; Q123-K127 PolarHBondContact O-N 3.46Å
124A97.3Very high95.1Very high59 Ų5958.3 Ų58.349%0.48831%0.31SS..Hα-helixtrans-62.4-43.4174.500000111.3E120 A121 F126 K127 H128E120-A124 WeakPolarHBondContact O-CB 3.4Å; E120-A124 PolarHBondContact O-N 3.2Å; A121-A124 PolarHBondContact O-N 3.3Å; A124-F126 PolarHBondContact O-N 3.17Å; A124-K127 PolarHBondContact O-N 2.93Å; A124-H128 PolarHBondContact O-N 2.95Å
125W97.9Very high95.1Very high79 Ų7961.1 Ų61.130%0.29933%0.325SS..Hα-helixtrans-60.6-44.6175.5-176.390.8000112.1L96 I99 K100 A121 E122 Q123 K127 H128 Y129L96-W125 HydrophobicContact CB-CH2 4.32Å; L96-W125 HydrophobicContact CB-CZ2 4.34Å; L96-W125 HydrophobicContact CD2-CB 4.36Å; L96-W125 HydrophobicContact CD2-CD2 3.65Å; L96-W125 HydrophobicContact CD2-CE3 3.78Å; L96-W125 HydrophobicContact CD2-CG 3.89Å; L96-W125 HydrophobicContact CD2-CZ3 4.35Å; I99-W125 HydrophobicContact CB-CZ3 4.27Å; I99-W125 HydrophobicContact CG2-CE3 3.97Å; I99-W125 HydrophobicContact CG2-CZ3 3.91Å; K100-W125 HydrophobicContact CB-CH2 4.05Å; K100-W125 HydrophobicContact CB-CZ3 4.41Å; A121-W125 WeakPolarHBondContact O-CB 3.45Å; A121-W125 PolarHBondContact O-N 2.69Å; E122-W125 PolarHBondContact O-N 3.42Å; Q123-W125 VanDerWaalsContact C-N 3.35Å; W125-K127 PolarHBondContact O-N 3.39Å; W125-H128 WeakPolarHBondContact O-CB 3.5Å; W125-H128 PolarHBondContact O-N 3.5Å; W125-Y129 HydrophobicContact CH2-CD2 4.5Å; W125-Y129 HydrophobicContact CH2-CG 4.42Å; W125-Y129 PolarHBondContact O-N 3.16Å
126F97Very high95Very high10 Ų1060.1 Ų60.14%0.04432%0.324CS..Hα-helixtrans-60.5-43.9177.2179.1-97.4000112.2I99 L102 R103 I108 L110 E122 Q123 A124 H128 Y129 C130I99-F126 HydrophobicContact CG2-CB 3.86Å; I99-F126 HydrophobicContact CG2-CD2 3.59Å; I99-F126 HydrophobicContact CG2-CG 4.15Å; L102-F126 HydrophobicContact CB-CE2 4.34Å; R103-F126 HydrophobicContact CB-CD2 4.42Å; R103-F126 HydrophobicContact CB-CE2 3.51Å; R103-F126 HydrophobicContact CB-CZ 3.93Å; I108-F126 WeakPolarHBondContact O-CE1 3.45Å; L110-F126 HydrophobicContact CD1-CD1 3.87Å; L110-F126 HydrophobicContact CD1-CD2 4.28Å; L110-F126 HydrophobicContact CD1-CE1 3.79Å; L110-F126 HydrophobicContact CD1-CE2 4.15Å; L110-F126 HydrophobicContact CD1-CG 4.13Å; L110-F126 HydrophobicContact CD1-CZ 3.93Å; L110-F126 HydrophobicContact CD2-CE1 4.03Å; L110-F126 HydrophobicContact CD2-CE2 3.89Å; L110-F126 HydrophobicContact CD2-CZ 3.48Å; L110-F126 VanDerWaalsContact CD2-CZ 3.48Å; L110-F126 HydrophobicContact CG-CD1 4.23Å; L110-F126 HydrophobicContact CG-CE1 3.63Å; L110-F126 HydrophobicContact CG-CE2 4.26Å; L110-F126 HydrophobicContact CG-CZ 3.64Å; E122-F126 WeakPolarHBondContact O-CB 3.29Å; E122-F126 PolarHBondContact O-N 2.89Å; Q123-F126 PolarHBondContact O-N 3.2Å; A124-F126 PolarHBondContact O-N 3.17Å; F126-H128 VanDerWaalsContact C-N 3.33Å; F126-H128 PolarHBondContact O-N 3.35Å; F126-Y129 PolarHBondContact O-N 3.49Å; F126-C130 VanDerWaalsContact CE1-SG 3.51Å; F126-C130 PolarHBondContact O-N 3.32Å; F126-C130 PolarHBondContact O-SG 3.05Å
127K96.7Very high94.8Very high143 Ų14356.2 Ų56.262%0.62230%0.303SS*.Hα-helixtrans-60.1-44175.2-71171.7-176.51770111.5Q123 A124 W125 C130 S131Q123-K127 WeakPolarHBondContact O-CG 3.44Å; Q123-K127 PolarHBondContact O-N 3.46Å; A124-K127 PolarHBondContact O-N 2.93Å; W125-K127 PolarHBondContact O-N 3.39Å; K127-C130 WeakPolarHBondContact O-CB 3.38Å; K127-C130 PolarHBondContact O-N 3.38Å; K127-S131 PolarHBondContact O-N 2.96Å
128H97.5Very high94.6Very high122 Ų12262.3 Ų62.357%0.56533%0.33SS*.Hα-helixtrans-62.5-45176.6-175.562.8000111.6A124 W125 F126 C130 S131 C132A124-H128 PolarHBondContact O-N 2.95Å; W125-H128 WeakPolarHBondContact O-CB 3.5Å; W125-H128 PolarHBondContact O-N 3.5Å; F126-H128 VanDerWaalsContact C-N 3.33Å; F126-H128 PolarHBondContact O-N 3.35Å; H128-C130 VanDerWaalsContact C-N 3.32Å; H128-C130 PolarHBondContact O-N 3.17Å; H128-S131 PolarHBondContact O-N 2.96Å; H128-S131 VanDerWaalsContact O-N 3.16Å; H128-C132 PolarHBondContact O-N 3.45Å; H128-C132 PolarHBondContact O-SG 3.36Å; H128-C132 VanDerWaalsContact O-SG 3.38Å
129Y97.2Very high94.1Very high43 Ų4362.9 Ų62.917%0.16934%0.336CS..Hα-helixtrans-57.8-43.6174.6-180-105.6000112.3K100 R103 W104 W125 F126 S131 C132 L133K100-Y129 HydrophobicContact CD-CE2 4.34Å; K100-Y129 VanDerWaalsContact CE-OH 3.29Å; K100-Y129 WeakPolarHBondContact CE-OH 3.35Å; K100-Y129 HydrophobicContact CG-CD1 4.45Å; K100-Y129 HydrophobicContact CG-CE1 3.79Å; K100-Y129 HydrophobicContact CG-CE2 3.95Å; R103-Y129 HydrophobicContact CB-CD1 3.98Å; R103-Y129 HydrophobicContact CB-CE1 3.85Å; R103-Y129 HydrophobicContact CG-CD1 3.89Å; R103-Y129 HydrophobicContact CG-CE1 3.7Å; W104-Y129 AromaticContact NE1-CE1 3.97Å; W104-Y129 AromaticContact NE1-CZ 3.85Å; W104-Y129 PolarHBondContact NE1-OH 2.94Å; W125-Y129 HydrophobicContact CH2-CD2 4.5Å; W125-Y129 HydrophobicContact CH2-CG 4.42Å; W125-Y129 PolarHBondContact O-N 3.16Å; F126-Y129 PolarHBondContact O-N 3.49Å; Y129-S131 VanDerWaalsContact C-N 3.34Å; Y129-S131 PolarHBondContact O-N 2.89Å; Y129-C132 PolarHBondContact O-N 3.36Å; Y129-L133 HydrophobicContact CE1-CD2 4.24Å; Y129-L133 WeakPolarHBondContact O-CB 3.38Å; Y129-L133 PolarHBondContact O-N 3.19Å
130C95.4Very high93.4Very high13 Ų1365.7 Ų65.79%0.08835%0.349CS..Hα-helixtrans-60.1-43176-66.70000112.2R103 F126 K127 H128 L133 A134R103-C130 WeakPolarHBondContact CD-SG 3.45Å; F126-C130 VanDerWaalsContact CE1-SG 3.51Å; F126-C130 PolarHBondContact O-N 3.32Å; F126-C130 PolarHBondContact O-SG 3.05Å; K127-C130 WeakPolarHBondContact O-CB 3.38Å; K127-C130 PolarHBondContact O-N 3.38Å; H128-C130 VanDerWaalsContact C-N 3.32Å; H128-C130 PolarHBondContact O-N 3.17Å; C130-L133 PolarHBondContact O-N 3.02Å; C130-A134 WeakPolarHBondContact O-CB 3.26Å; C130-A134 PolarHBondContact O-N 3.46Å
131S94.9Very high92.4Very high56 Ų5659.9 Ų59.939%0.39234%0.335SS..Hα-helixtrans-64.9-45.9177.1175.70000111.6K127 H128 Y129 L133 A134 N135K127-S131 PolarHBondContact O-N 2.96Å; H128-S131 PolarHBondContact O-N 2.96Å; H128-S131 VanDerWaalsContact O-N 3.16Å; Y129-S131 VanDerWaalsContact C-N 3.34Å; Y129-S131 PolarHBondContact O-N 2.89Å; S131-L133 VanDerWaalsContact C-N 3.3Å; S131-L133 PolarHBondContact O-N 3.49Å; S131-A134 PolarHBondContact O-N 3.24Å; S131-N135 WeakPolarHBondContact O-CB 3.48Å; S131-N135 PolarHBondContact O-N 2.86Å; S131-N135 PolarHBondContact O-OD1 2.9Å
132C93.5Very high91.5Very high57 Ų5761.1 Ų61.139%0.38534%0.339SS..Hα-helixtrans-59.7-42.1176.7-68.60000112H128 Y129 N135 F136H128-C132 PolarHBondContact O-N 3.45Å; H128-C132 PolarHBondContact O-SG 3.36Å; H128-C132 VanDerWaalsContact O-SG 3.38Å; Y129-C132 PolarHBondContact O-N 3.36Å; C132-N135 PolarHBondContact O-N 3.41Å; C132-F136 WeakPolarHBondContact O-CB 3.45Å; C132-F136 PolarHBondContact O-N 2.9Å
133L92.5Very high90.5Very high14 Ų1466.5 Ų66.57%0.07336%0.364CS..Hα-helixtrans-69.2-38.3177.5-177.653.8000112.1R103 W104 Y129 C130 S131 F136 M137R103-L133 HydrophobicContact CG-CD2 4.22Å; R103-L133 VanDerWaalsContact CZ-CD2 3.43Å; W104-L133 HydrophobicContact CH2-CD1 4.07Å; W104-L133 HydrophobicContact CH2-CD2 3.92Å; W104-L133 HydrophobicContact CZ2-CD1 4.16Å; W104-L133 HydrophobicContact CZ2-CD2 3.64Å; Y129-L133 HydrophobicContact CE1-CD2 4.24Å; Y129-L133 WeakPolarHBondContact O-CB 3.38Å; Y129-L133 PolarHBondContact O-N 3.19Å; C130-L133 PolarHBondContact O-N 3.02Å; S131-L133 VanDerWaalsContact C-N 3.3Å; S131-L133 PolarHBondContact O-N 3.49Å; L133-F136 WeakPolarHBondContact O-CB 3.36Å; L133-F136 PolarHBondContact O-N 3.13Å; L133-M137 HydrophobicContact CD1-CG 4.27Å; L133-M137 HydrophobicContact CD1-SD 4.37Å; L133-M137 HydrophobicContact CG-CE 4.24Å; L133-M137 HydrophobicContact CG-SD 4.34Å; L133-M137 VanDerWaalsContact O-CG 3.29Å; L133-M137 WeakPolarHBondContact O-CG 3.07Å; L133-M137 PolarHBondContact O-N 3.34Å
134A90.7Very high89.4Confident28 Ų2876.3 Ų76.323%0.23140%0.399CS..Hα-helixtrans-62.2-46.2173.900000111.5C130 S131 F136 M137 Q138C130-A134 WeakPolarHBondContact O-CB 3.26Å; C130-A134 PolarHBondContact O-N 3.46Å; S131-A134 PolarHBondContact O-N 3.24Å; A134-F136 VanDerWaalsContact C-N 3.3Å; A134-F136 PolarHBondContact O-N 3.13Å; A134-M137 PolarHBondContact O-N 2.98Å; A134-Q138 WeakPolarHBondContact O-CG 3.48Å; A134-Q138 PolarHBondContact O-N 3.39Å
135N90.3Very high88.1Confident92 Ų9276.2 Ų76.249%0.49240%0.403SS..Hα-helixtrans-60.6-41.9176.6-64.8-7.1000111.1S131 C132 Q138 A139S131-N135 WeakPolarHBondContact O-CB 3.48Å; S131-N135 PolarHBondContact O-N 2.86Å; S131-N135 PolarHBondContact O-OD1 2.9Å; C132-N135 PolarHBondContact O-N 3.41Å; N135-Q138 PolarHBondContact O-N 2.99Å; N135-A139 WeakPolarHBondContact O-CB 3.3Å; N135-A139 PolarHBondContact O-N 3.17Å
136F89.9Confident87Confident88 Ų8873.3 Ų73.339%0.38640%0.398SS..Hα-helixtrans-59.7-46.9174.9-178-82.7000111.8C132 L133 A134 Q138 A139 G145 G147 L152C132-F136 WeakPolarHBondContact O-CB 3.45Å; C132-F136 PolarHBondContact O-N 2.9Å; L133-F136 WeakPolarHBondContact O-CB 3.36Å; L133-F136 PolarHBondContact O-N 3.13Å; A134-F136 VanDerWaalsContact C-N 3.3Å; A134-F136 PolarHBondContact O-N 3.13Å; F136-Q138 VanDerWaalsContact C-N 3.3Å; F136-Q138 PolarHBondContact O-N 2.96Å; F136-A139 PolarHBondContact O-N 3.49Å; F136-G145 WeakPolarHBondContact CD2-O 3.49Å; F136-G145 WeakPolarHBondContact CE2-O 3.21Å; F136-G145 WeakPolarHBondContact CZ-O 3.31Å; F136-G147 WeakPolarHBondContact O-CA 3.19Å; F136-G147 PolarHBondContact O-N 3.36Å; F136-L152 HydrophobicContact CD1-CD1 3.95Å; F136-L152 HydrophobicContact CE1-CD1 3.63Å
137M89.3Confident85.8Confident25 Ų2573.6 Ų73.612%0.12340%0.404CS..Hα-helixtrans-67.5-30.9-179.6-68.4-179.1-51.600112.4L133 A134 M149 L150 L152 T153L133-M137 HydrophobicContact CD1-CG 4.27Å; L133-M137 HydrophobicContact CD1-SD 4.37Å; L133-M137 HydrophobicContact CG-CE 4.24Å; L133-M137 HydrophobicContact CG-SD 4.34Å; L133-M137 VanDerWaalsContact O-CG 3.29Å; L133-M137 WeakPolarHBondContact O-CG 3.07Å; L133-M137 PolarHBondContact O-N 3.34Å; A134-M137 PolarHBondContact O-N 2.98Å; M137-M149 CarbonylContact O-C 3.57Å; M137-M149 WeakPolarHBondContact O-CA 3.33Å; M137-M149 PolarHBondContact O-N 3.36Å; M137-M149 VanDerWaalsContact O-N 3.14Å; M137-L150 WeakPolarHBondContact CG-O 3.44Å; M137-L152 HydrophobicContact CG-CG 4.32Å; M137-L152 HydrophobicContact SD-CB 4.4Å; M137-T153 HydrophobicContact SD-CG2 4.22Å
138Q87.1Confident85.1Confident141 Ų14168.5 Ų68.566%0.65939%0.392SS*.Hα-helixtrans-81.1-25.4178.8-72176.42.300113.9A134 N135 F136 D140A134-Q138 WeakPolarHBondContact O-CG 3.48Å; A134-Q138 PolarHBondContact O-N 3.39Å; N135-Q138 PolarHBondContact O-N 2.99Å; F136-Q138 VanDerWaalsContact C-N 3.3Å; F136-Q138 PolarHBondContact O-N 2.96Å; Q138-D140 PolarHBondContact O-N 3.03Å
139A85.8Confident84.3Confident20 Ų2070.1 Ų70.117%0.16540%0.402CS..SBendtrans-60.8133.2178.900000110.7N135 F136 G147 G148N135-A139 WeakPolarHBondContact O-CB 3.3Å; N135-A139 PolarHBondContact O-N 3.17Å; F136-A139 PolarHBondContact O-N 3.49Å; A139-G147 PolarHBondContact O-N 3.42Å; A139-G148 PolarHBondContact O-N 3Å
140D81.1Confident83.6Confident81 Ų8172.4 Ų72.443%0.43342%0.416SS..  trans-62.6149.8-179.5-178.132.8000110.7Q138 S142 E143Q138-D140 PolarHBondContact O-N 3.03Å; D140-S142 PolarHBondContact O-N 3.18Å; D140-S142 VanDerWaalsContact O-N 3.15Å; D140-S142 VanDerWaalsContact OD2-CB 3.32Å; D140-S142 WeakPolarHBondContact OD2-CB 3.35Å; D140-S142 PolarHBondContact OD2-OG 3.3Å; D140-E143 WeakPolarHBondContact O-CB 3.4Å; D140-E143 PolarHBondContact O-N 3.17Å
141G76Confident83Confident50 Ų5074.1 Ų74.152%0.51543%0.425SS..THydrogen-bonded Turntrans-65-18.6-178.900000113E143G141-E143 VanDerWaalsContact C-N 3.33Å
142S78.5Confident82.5Confident101 Ų10174.5 Ų74.571%0.70642%0.422SS*.THydrogen-bonded Turntrans-73.4-24.217371.70000113.1D140D140-S142 PolarHBondContact O-N 3.18Å; D140-S142 VanDerWaalsContact O-N 3.15Å; D140-S142 VanDerWaalsContact OD2-CB 3.32Å; D140-S142 WeakPolarHBondContact OD2-CB 3.35Å; D140-S142 PolarHBondContact OD2-OG 3.3Å
143E76.4Confident82Confident121 Ų12173.6 Ų73.657%0.56542%0.415SS*.SBendtrans-76.7137.8175.3-62.4-173.3170.400109.9D140 G141 G145 G146D140-E143 WeakPolarHBondContact O-CB 3.4Å; D140-E143 PolarHBondContact O-N 3.17Å; G141-E143 VanDerWaalsContact C-N 3.33Å; E143-G145 PolarHBondContact O-N 3.26Å; E143-G146 PolarHBondContact O-N 2.98Å
144R72.7Confident81.3Confident260 Ų26076.4 Ų76.498%0.98143%0.428SS*.THydrogen-bonded Turntrans-60.4110.7-178.4-84.6-173.2177.4177.60.5110.5
145G69.9Low80.5Confident56 Ų5681.1 Ų81.158%0.57744%0.44SS*.THydrogen-bonded Turntrans79.423.3-178.900000113.4F136 E143F136-G145 WeakPolarHBondContact CD2-O 3.49Å; F136-G145 WeakPolarHBondContact CE2-O 3.21Å; F136-G145 WeakPolarHBondContact CZ-O 3.31Å; E143-G145 PolarHBondContact O-N 3.26Å
146G75.4Confident79.7Confident19 Ų1982.7 Ų82.720%0.19644%0.439CS..  trans-75.8145.716800000112.1E143 G148E143-G146 PolarHBondContact O-N 2.98Å; G146-G148 PolarHBondContact O-N 3.11Å
147G71.6Confident79.1Confident15 Ų1583.3 Ų83.316%0.15545%0.451CS..  trans-75.7-5177.400000114F136 A139 M149 L150F136-G147 WeakPolarHBondContact O-CA 3.19Å; F136-G147 PolarHBondContact O-N 3.36Å; A139-G147 PolarHBondContact O-N 3.42Å; G147-M149 PolarHBondContact O-N 3.46Å; G147-L150 VanDerWaalsContact O-CB 3.27Å; G147-L150 WeakPolarHBondContact O-CB 3.48Å; G147-L150 PolarHBondContact O-N 2.99Å
148G80.7Confident78.6Confident37 Ų3787.1 Ų87.138%0.38148%0.477SS..THydrogen-bonded Turntrans66.637.117700000113.1A139 G146 L150A139-G148 PolarHBondContact O-N 3Å; G146-G148 PolarHBondContact O-N 3.11Å; G148-L150 PolarHBondContact O-N 3.35Å; G148-L150 VanDerWaalsContact O-N 3.11Å
149M81.1Confident78.2Confident156 Ų15684.8 Ų84.877%0.76847%0.474SS*.THydrogen-bonded Turntrans60.416.3-175.8-56.4-179.965.200114.3M137 G147M137-M149 CarbonylContact O-C 3.57Å; M137-M149 WeakPolarHBondContact O-CA 3.33Å; M137-M149 PolarHBondContact O-N 3.36Å; M137-M149 VanDerWaalsContact O-N 3.14Å; G147-M149 PolarHBondContact O-N 3.46Å
150L82.1Confident78.1Confident90 Ų9093.9 Ų93.947%0.47151%0.51SS..  trans-91.1127.7179.5-177.263.1000111.4M137 G147 G148 L152M137-L150 WeakPolarHBondContact CG-O 3.44Å; G147-L150 VanDerWaalsContact O-CB 3.27Å; G147-L150 WeakPolarHBondContact O-CB 3.48Å; G147-L150 PolarHBondContact O-N 2.99Å; G148-L150 PolarHBondContact O-N 3.35Å; G148-L150 VanDerWaalsContact O-N 3.11Å; L150-L152 HydrophobicContact CD2-CD2 4.06Å; L150-L152 HydrophobicContact CG-CD2 4.29Å; L150-L152 PolarHBondContact O-N 3.33Å; L150-L152 VanDerWaalsContact O-N 3.11Å
151D83.3Confident78.3Confident50 Ų5092.6 Ų92.627%0.26751%0.507SS..  trans-76.798.2169.9-172.3-5.9000110.9T153 Q154D151-T153 VanDerWaalsContact CG-OG1 3.27Å; D151-T153 PolarHBondContact O-N 2.98Å; D151-T153 VanDerWaalsContact O-N 3.12Å; D151-T153 VanDerWaalsContact OD1-CB 3.25Å; D151-T153 WeakPolarHBondContact OD1-CB 3.37Å; D151-T153 VanDerWaalsContact OD1-CG2 3.32Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.23Å; D151-T153 PolarHBondContact OD1-N 2.83Å; D151-T153 PolarHBondContact OD1-OG1 3.4Å; D151-T153 PolarHBondContact OD2-OG1 3.37Å; D151-Q154 HydrophobicContact CB-CG 4.2Å; D151-Q154 PolarHBondContact O-N 2.66Å; D151-Q154 WeakPolarHBondContact OD2-CG 3.46Å; D151-Q154 PolarHBondContact OD2-NE2 2.96Å
152L84.3Confident78.8Confident64 Ų6496.3 Ų96.334%0.33552%0.515SS..THydrogen-bonded Turntrans-65-13.8178.9-59.3-178.7000113.6W104 F136 M137 L150 Q154W104-L152 HydrophobicContact CH2-CB 4.16Å; W104-L152 HydrophobicContact CZ3-CB 4.12Å; F136-L152 HydrophobicContact CD1-CD1 3.95Å; F136-L152 HydrophobicContact CE1-CD1 3.63Å; M137-L152 HydrophobicContact CG-CG 4.32Å; M137-L152 HydrophobicContact SD-CB 4.4Å; L150-L152 HydrophobicContact CD2-CD2 4.06Å; L150-L152 HydrophobicContact CG-CD2 4.29Å; L150-L152 PolarHBondContact O-N 3.33Å; L150-L152 VanDerWaalsContact O-N 3.11Å; L152-Q154 VanDerWaalsContact C-N 3.29Å; L152-Q154 PolarHBondContact O-N 3.47Å
153T83.5Confident79.3Confident37 Ų3796.2 Ų96.223%0.22750%0.502CS..THydrogen-bonded Turntrans-77.7-19.7-174.871.20000113W104 M137 D151 R156W104-T153 HydrophobicContact CE3-CG2 4.18Å; W104-T153 HydrophobicContact CZ3-CG2 4.06Å; M137-T153 HydrophobicContact SD-CG2 4.22Å; D151-T153 VanDerWaalsContact CG-OG1 3.27Å; D151-T153 PolarHBondContact O-N 2.98Å; D151-T153 VanDerWaalsContact O-N 3.12Å; D151-T153 VanDerWaalsContact OD1-CB 3.25Å; D151-T153 WeakPolarHBondContact OD1-CB 3.37Å; D151-T153 VanDerWaalsContact OD1-CG2 3.32Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.23Å; D151-T153 PolarHBondContact OD1-N 2.83Å; D151-T153 PolarHBondContact OD1-OG1 3.4Å; D151-T153 PolarHBondContact OD2-OG1 3.37Å; T153-R156 PolarHBondContact O-NH2 3.46Å; T153-R156 VanDerWaalsContact O-NH2 3.08Å
154Q76.9Confident79.9Confident73 Ų7390.8 Ų90.834%0.34148%0.476SS..THydrogen-bonded Turntrans-87.3-40-169-63-17130.200113.9D151 L152 R203D151-Q154 HydrophobicContact CB-CG 4.2Å; D151-Q154 PolarHBondContact O-N 2.66Å; D151-Q154 WeakPolarHBondContact OD2-CG 3.46Å; D151-Q154 PolarHBondContact OD2-NE2 2.96Å; L152-Q154 VanDerWaalsContact C-N 3.29Å; L152-Q154 PolarHBondContact O-N 3.47Å; Q154-R203 PolarHBondContact O-NH2 2.96Å
155Y74Confident80.8Confident128 Ų12883 Ų8350%0.50245%0.451SS..  trans-115.470.6-168.6-52.2-79000112.6E199Y155-E199 WeakPolarHBondContact CD1-OE2 3.24Å; Y155-E199 WeakPolarHBondContact CE1-OE2 3.47Å
156R75.2Confident81.8Confident125 Ų12580.3 Ų80.347%0.47242%0.424SS..  trans-85.3-33.9-177.3-65.6-158.5-170.4117.438115.3W104 T153W104-R156 VanDerWaalsContact C-NH2 3.28Å; W104-R156 VanDerWaalsContact CA-NH2 3.29Å; W104-R156 VanDerWaalsContact CB-NH1 3.31Å; W104-R156 PolarHBondContact O-NH1 2.94Å; W104-R156 PolarHBondContact O-NH2 3.31Å; T153-R156 PolarHBondContact O-NH2 3.46Å; T153-R156 VanDerWaalsContact O-NH2 3.08Å
157T76.8Confident82.7Confident101 Ų10184.1 Ų84.162%0.6243%0.432SS*.SBendtrans-99.3128-179.146.10000109
158P78.6Confident83.8Confident105 Ų10583.5 Ų83.568%0.68243%0.425SS*.PPolyproline II helixtrans-61.1139.2179.325.9-33.7000109.9K160P158-K160 PolarHBondContact O-N 2.93Å
159P79.1Confident84.3Confident92 Ų9285 Ų8560%0.59743%0.425SS*.PPolyproline II helixtrans-67127.2178.426.8-33.1000110.4
160K82.7Confident84.8Confident210 Ų21083 Ų8391%0.91341%0.413SS*.SBendtrans-84.5-27.4174.2-66.8-175.8179.7179.20112.5P158P158-K160 PolarHBondContact O-N 2.93Å
161S85Confident85.2Confident54 Ų5484.1 Ų84.138%0.37842%0.42SS..  trans-144.1150.3-178.158.70000110.1F163 L164S161-F163 WeakPolarHBondContact CB-O 3.44Å; S161-F163 PolarHBondContact OG-O 3.23Å; S161-L164 WeakPolarHBondContact OG-CD2 3.3Å
162L86.3Confident85.4Confident129 Ų12986 Ų8668%0.67543%0.426SS*.SBendtrans-73.1-36.3174.9-97.7140.3000112.4R195L162-R195 WeakPolarHBondContact O-CB 3.36Å; L162-R195 PolarHBondContact O-N 3.39Å
163F89.2Confident85.8Confident99 Ų9984.2 Ų84.243%0.43442%0.423SS..EExtended strand (participates in β ladder)trans-107.1145.8177.7-61.4-86.5000110S161 L192 M193 H194S161-F163 WeakPolarHBondContact CB-O 3.44Å; S161-F163 PolarHBondContact OG-O 3.23Å; F163-L192 HydrophobicContact CB-CD1 3.79Å; F163-L192 HydrophobicContact CB-CG 4.12Å; F163-M193 WeakPolarHBondContact CA-O 3.38Å; F163-H194 AromaticContact CE1-CD2 3.39Å; F163-H194 WeakPolarHBondContact CE1-CD2 3.37Å; F163-H194 AromaticContact CE1-CE1 3.61Å; F163-H194 AromaticContact CE1-CG 3.78Å; F163-H194 AromaticContact CE1-ND1 3.91Å; F163-H194 AromaticContact CE1-NE2 3.27Å; F163-H194 VanDerWaalsContact CE1-NE2 3.27Å; F163-H194 WeakPolarHBondContact CE1-NE2 3.37Å; F163-H194 AromaticContact CZ-CD2 3.88Å; F163-H194 AromaticContact CZ-CE1 3.41Å; F163-H194 VanDerWaalsContact CZ-CE1 3.41Å; F163-H194 WeakPolarHBondContact CZ-CE1 3.17Å; F163-H194 AromaticContact CZ-NE2 3.22Å; F163-H194 WeakPolarHBondContact CZ-NE2 3.39Å
164L88.8Confident86.1Confident6 Ų689.7 Ų89.73%0.03145%0.445CS..EExtended strand (participates in β ladder)trans-125.4136.9175.1-60.4177.5000108.9S161 V166 M193 R195 I202S161-L164 WeakPolarHBondContact OG-CD2 3.3Å; L164-V166 HydrophobicContact CB-CG1 4.21Å; L164-M193 PolarHBondContact N-O 3.37Å; L164-M193 PolarHBondContact O-N 3.06Å; L164-M193 VanDerWaalsContact O-N 3.12Å; L164-R195 HydrophobicContact CD1-CB 4.13Å; L164-R195 HydrophobicContact CD1-CG 3.76Å; L164-R195 HydrophobicContact CG-CB 4.22Å; L164-R195 HydrophobicContact CG-CG 4.3Å; L164-I202 HydrophobicContact CD1-CD1 4.2Å
165E92.3Very high86.7Confident96 Ų9688 Ų8845%0.44944%0.437SS..EExtended strand (participates in β ladder)trans-83122165.6-165.3176.4178.900108.5I210E165-I210 HydrophobicContact CG-CD1 4.12Å; E165-I210 PolarHBondContact O-N 3.49Å
166V91.4Very high87.5Confident0 Ų088.6 Ų88.60%045%0.445CS..EExtended strand (participates in β ladder)trans-124.8141.6-173.7-70.60000110.6L164 H190 H191 M193 C198 I202 L207 E208L164-V166 HydrophobicContact CB-CG1 4.21Å; V166-H190 WeakPolarHBondContact O-CA 3.27Å; V166-H191 HydrophobicContact CG2-CB 4.29Å; V166-H191 VanDerWaalsContact CG2-O 3.27Å; V166-H191 WeakPolarHBondContact CG2-O 3.41Å; V166-H191 PolarHBondContact N-O 2.97Å; V166-H191 PolarHBondContact O-N 3.37Å; V166-M193 HydrophobicContact CG2-CB 4.5Å; V166-M193 HydrophobicContact CG2-CG 4.41Å; V166-M193 HydrophobicContact CG2-SD 4.01Å; V166-C198 HydrophobicContact CG1-CB 4.06Å; V166-I202 HydrophobicContact CG1-CD1 3.93Å; V166-I202 HydrophobicContact CG1-CG1 4.31Å; V166-L207 HydrophobicContact CB-CB 4.29Å; V166-L207 HydrophobicContact CB-CD1 4.2Å; V166-L207 HydrophobicContact CG2-CD1 3.98Å; V166-E208 CarbonylContact C-O 3.54Å; V166-E208 WeakPolarHBondContact CA-O 3.44Å
167R94.4Very high88.1Confident99 Ų9983.1 Ų83.137%0.37443%0.425SS..EExtended strand (participates in β ladder)trans-106.9132.7173.3-177173.366-176.11.3110.5S189 L207 E208 I210R167-S189 WeakPolarHBondContact CA-O 3.33Å; R167-L207 CarbonylContact O-C 3.59Å; R167-L207 WeakPolarHBondContact O-CA 3.36Å; R167-E208 IonicContact CZ-OE2 3.48Å; R167-E208 PolarHBondContact N-O 2.71Å; R167-E208 IonicContact NE-OE2 3.54Å; R167-E208 IonicContact NH2-OE2 2.65Å; R167-E208 PolarHBondContact NH2-OE2 3.31Å; R167-E208 PolarHBondContact O-N 3.13Å; R167-I210 HydrophobicContact CB-CD1 4.07Å; R167-I210 HydrophobicContact CB-CG1 4.19Å
168C93.3Very high88.5Confident2 Ų285.7 Ų85.71%0.01443%0.43CS..EExtended strand (participates in β ladder)trans-76.4124.8173.6-600000111T186 G188 S189 L207C168-T186 WeakPolarHBondContact CB-O 3.11Å; C168-G188 PolarHBondContact O-N 2.93Å; C168-S189 PolarHBondContact N-O 3Å; C168-S189 PolarHBondContact SG-OG 3.18Å; C168-S189 VanDerWaalsContact SG-OG 3.37Å; C168-L207 HydrophobicContact CB-CD2 4.14Å; C168-L207 WeakPolarHBondContact SG-CD2 3.47Å
169L92.1Very high88.8Confident70 Ų7085.8 Ų85.837%0.36643%0.425SS..SBendtrans-88.6-24.2174.3-63.2179.9000112.5K187 I206 E208L169-K187 WeakPolarHBondContact O-CG 3.39Å; L169-I206 PolarHBondContact N-O 3.1Å; L169-E208 HydrophobicContact CD1-CB 4.21Å; L169-E208 HydrophobicContact CD2-CB 4.32Å; L169-E208 HydrophobicContact CG-CB 4.22Å
170Q91.2Very high89.2Confident112 Ų11283.6 Ų83.652%0.52342%0.418SS..SBendtrans-139.6155.4-175.1-59.6179.658.300109.7F172 G205Q170-F172 PolarHBondContact O-N 3.02Å; Q170-G205 PolarHBondContact NE2-O 3.45Å
171D91.5Very high89.4Confident115 Ų11576.1 Ų76.162%0.61539%0.393SS*.  trans-72.3118173.1-63.9-56000109.3T186 K187D171-T186 WeakPolarHBondContact OD1-CA 3.4Å; D171-K187 WeakPolarHBondContact OD1-CB 3.45Å; D171-K187 PolarHBondContact OD1-N 3.33Å
172F87.7Confident89.6Confident90 Ų9079 Ų7940%0.39540%0.403SS..  trans-108.1-23.2177.4-169-94.4000112.1Q170 F175 L185 L201 I206Q170-F172 PolarHBondContact O-N 3.02Å; F172-F175 HydrophobicContact CD1-CB 4.3Å; F172-F175 HydrophobicContact CD1-CD2 4.38Å; F172-F175 HydrophobicContact CE1-CB 4.41Å; F172-F175 AromaticContact CE1-CD2 3.79Å; F172-F175 HydrophobicContact CE1-CD2 3.79Å; F172-L185 HydrophobicContact CB-CB 3.93Å; F172-L185 HydrophobicContact CB-CD1 4.19Å; F172-L185 HydrophobicContact CD1-CD1 3.98Å; F172-L185 HydrophobicContact CG-CD1 4.35Å; F172-L185 PolarHBondContact N-O 3.31Å; F172-L201 HydrophobicContact CD2-CD2 4.43Å; F172-L201 HydrophobicContact CE1-CD2 4.31Å; F172-L201 HydrophobicContact CE2-CD2 3.98Å; F172-L201 HydrophobicContact CZ-CD2 3.9Å; F172-I206 HydrophobicContact CB-CG2 3.99Å; F172-I206 HydrophobicContact CD2-CD1 3.65Å; F172-I206 HydrophobicContact CD2-CG2 3.94Å; F172-I206 HydrophobicContact CE2-CD1 3.63Å; F172-I206 HydrophobicContact CG-CG2 4.22Å
173G91Very high89.7Confident26 Ų2674.8 Ų74.827%0.26838%0.381SS..EExtended strand (participates in β ladder)trans89.4-145.7-179.600000112.3L185G173-L185 PolarHBondContact N-O 3.04Å; G173-L185 PolarHBondContact O-N 3.45Å
174E91.3Very high89.8Confident151 Ų15175.3 Ų75.371%0.70638%0.384SS*.EExtended strand (participates in β ladder)trans-78.5125.2179.1-66.1-179.4173.900110.5I182 L183E174-I182 HydrophobicContact CB-CG2 4.02Å; E174-I182 HydrophobicContact CG-CG2 4.3Å; E174-L183 WeakPolarHBondContact CA-O 3.34Å
175F89.2Confident89.9Confident38 Ų3875 Ų7517%0.16738%0.383CS..EExtended strand (participates in β ladder)trans-120.3124.2176.1179.9-95.6000109.3F172 T177 L183 L185 M193 D197 L201F172-F175 HydrophobicContact CD1-CB 4.3Å; F172-F175 HydrophobicContact CD1-CD2 4.38Å; F172-F175 HydrophobicContact CE1-CB 4.41Å; F172-F175 AromaticContact CE1-CD2 3.79Å; F172-F175 HydrophobicContact CE1-CD2 3.79Å; F175-T177 HydrophobicContact CD1-CG2 3.98Å; F175-T177 HydrophobicContact CE1-CG2 3.79Å; F175-L183 PolarHBondContact N-O 3.4Å; F175-L183 PolarHBondContact O-N 2.92Å; F175-L185 HydrophobicContact CB-CD1 3.59Å; F175-L185 HydrophobicContact CB-CG 4.02Å; F175-L185 HydrophobicContact CG-CD1 4.03Å; F175-M193 HydrophobicContact CD1-CE 3.69Å; F175-M193 HydrophobicContact CE1-CE 3.62Å; F175-D197 HydrophobicContact CE1-CB 4.03Å; F175-D197 HydrophobicContact CZ-CB 4.38Å; F175-L201 HydrophobicContact CD1-CD1 4.45Å; F175-L201 HydrophobicContact CD2-CD1 3.96Å; F175-L201 HydrophobicContact CE1-CD1 4.33Å; F175-L201 HydrophobicContact CE2-CD1 3.8Å; F175-L201 HydrophobicContact CE2-CD2 4.44Å; F175-L201 HydrophobicContact CE2-CG 4.33Å; F175-L201 HydrophobicContact CG-CD1 4.28Å; F175-L201 HydrophobicContact CZ-CD1 4Å
176E90.8Very high89.9Confident141 Ų14172.9 Ų72.966%0.65938%0.377SS*.EExtended strand (participates in β ladder)trans-92120.2175.4-171.4176.7-171.800109.1S181E176-S181 WeakPolarHBondContact CA-O 3.35Å
177T87.6Confident90Very high9 Ų979.8 Ų79.86%0.05541%0.407CS..  trans-80.8162.6175.642.60000111.1F175 D179 G180 S181 L183 M193 D197F175-T177 HydrophobicContact CD1-CG2 3.98Å; F175-T177 HydrophobicContact CE1-CG2 3.79Å; T177-D179 VanDerWaalsContact CB-OD1 3.24Å; T177-D179 WeakPolarHBondContact CB-OD1 3.48Å; T177-D179 PolarHBondContact O-N 3.12Å; T177-D179 VanDerWaalsContact O-N 3.12Å; T177-D179 PolarHBondContact OG1-OD1 3.29Å; T177-G180 PolarHBondContact O-N 3.5Å; T177-S181 PolarHBondContact N-O 3.16Å; T177-S181 VanDerWaalsContact OG1-CB 3.29Å; T177-S181 WeakPolarHBondContact OG1-CB 3.47Å; T177-S181 PolarHBondContact OG1-N 2.63Å; T177-S181 PolarHBondContact OG1-O 2.95Å; T177-L183 HydrophobicContact CG2-CD1 3.91Å; T177-M193 HydrophobicContact CG2-CE 3.74Å; T177-D197 HydrophobicContact CG2-CB 4.11Å
178E85.5Confident89.8Confident156 Ų15677 Ų7773%0.72941%0.408SS*.THydrogen-bonded Turntrans-59-24.4179.5-77-176.4171.600114.2G180 D197E178-G180 VanDerWaalsContact C-N 3.25Å; E178-G180 PolarHBondContact O-N 3Å; E178-D197 PolarHBondContact N-OD1 3.45Å
179D85.3Confident89.8Confident107 Ų10778 Ų7857%0.57242%0.415SS*.THydrogen-bonded Turntrans-80.9-1.717571.3-16.6000113.6T177 S181T177-D179 VanDerWaalsContact CB-OD1 3.24Å; T177-D179 WeakPolarHBondContact CB-OD1 3.48Å; T177-D179 PolarHBondContact O-N 3.12Å; T177-D179 VanDerWaalsContact O-N 3.12Å; T177-D179 PolarHBondContact OG1-OD1 3.29Å; D179-S181 VanDerWaalsContact CG-OG 3.32Å; D179-S181 WeakPolarHBondContact OD1-CB 3.47Å; D179-S181 PolarHBondContact OD1-N 3.13Å; D179-S181 PolarHBondContact OD1-OG 3.39Å; D179-S181 PolarHBondContact OD2-OG 3.2Å
180G86.7Confident89.9Confident45 Ų4579.5 Ų79.546%0.46442%0.42SS..SBendtrans83.96.4-178.400000114.6T177 E178T177-G180 PolarHBondContact O-N 3.5Å; E178-G180 VanDerWaalsContact C-N 3.25Å; E178-G180 PolarHBondContact O-N 3Å
181S87.5Confident89.9Confident54 Ų5475.9 Ų75.938%0.37840%0.403SS..  trans-73.5138.8173.7-54.40000110.6E176 T177 D179E176-S181 WeakPolarHBondContact CA-O 3.35Å; T177-S181 PolarHBondContact N-O 3.16Å; T177-S181 VanDerWaalsContact OG1-CB 3.29Å; T177-S181 WeakPolarHBondContact OG1-CB 3.47Å; T177-S181 PolarHBondContact OG1-N 2.63Å; T177-S181 PolarHBondContact OG1-O 2.95Å; D179-S181 VanDerWaalsContact CG-OG 3.32Å; D179-S181 WeakPolarHBondContact OD1-CB 3.47Å; D179-S181 PolarHBondContact OD1-N 3.13Å; D179-S181 PolarHBondContact OD1-OG 3.39Å; D179-S181 PolarHBondContact OD2-OG 3.2Å
182I89.5Confident89.9Confident114 Ų11476.3 Ų76.359%0.58541%0.405SS*.EExtended strand (participates in β ladder)trans-103.8118.8176-56.3172.4000108.6E174E174-I182 HydrophobicContact CB-CG2 4.02Å; E174-I182 HydrophobicContact CG-CG2 4.3Å
183L87.8Confident90Very high41 Ų4172.3 Ų72.322%0.21539%0.387CS..EExtended strand (participates in β ladder)trans-108.3136.2178.7-64.9173.2000110.4E174 F175 T177 L185 M193E174-L183 WeakPolarHBondContact CA-O 3.34Å; F175-L183 PolarHBondContact N-O 3.4Å; F175-L183 PolarHBondContact O-N 2.92Å; T177-L183 HydrophobicContact CG2-CD1 3.91Å; L183-L185 HydrophobicContact CB-CD2 4.36Å; L183-M193 HydrophobicContact CD1-CE 3.72Å; L183-M193 HydrophobicContact CD1-CG 3.38Å; L183-M193 HydrophobicContact CD1-SD 3.52Å; L183-M193 VanDerWaalsContact CD1-SD 3.52Å
184H90.7Very high90Very high109 Ų10974 Ų7451%0.50539%0.388SS..EExtended strand (participates in β ladder)trans-94.9100.4176.2-160.969.6000110.1T186 H191H184-T186 WeakPolarHBondContact CD2-CG2 3.39Å; H184-T186 WeakPolarHBondContact NE2-CG2 3.34Å; H184-T186 PolarHBondContact O-N 2.93Å; H184-H191 PolarHBondContact O-CE1 3.45Å; H184-H191 PolarHBondContact O-NE2 3.4Å
185L90.9Very high89.7Confident0 Ų068.9 Ų68.90%036%0.362CS..EExtended strand (participates in β ladder)trans-88.289.1-176.4-59.7-176.8000110.4F172 G173 F175 L183 M193 L201F172-L185 HydrophobicContact CB-CB 3.93Å; F172-L185 HydrophobicContact CB-CD1 4.19Å; F172-L185 HydrophobicContact CD1-CD1 3.98Å; F172-L185 HydrophobicContact CG-CD1 4.35Å; F172-L185 PolarHBondContact N-O 3.31Å; G173-L185 PolarHBondContact N-O 3.04Å; G173-L185 PolarHBondContact O-N 3.45Å; F175-L185 HydrophobicContact CB-CD1 3.59Å; F175-L185 HydrophobicContact CB-CG 4.02Å; F175-L185 HydrophobicContact CG-CD1 4.03Å; L183-L185 HydrophobicContact CB-CD2 4.36Å; L185-M193 HydrophobicContact CD2-SD 4.29Å; L185-L201 HydrophobicContact CD1-CD1 3.9Å
186T91.8Very high89.5Confident52 Ų5270.9 Ų70.932%0.31938%0.378SS..  trans-98.4148.9172.951.80000111.2C168 D171 H184 G188 S189C168-T186 WeakPolarHBondContact CB-O 3.11Å; D171-T186 WeakPolarHBondContact OD1-CA 3.4Å; H184-T186 WeakPolarHBondContact CD2-CG2 3.39Å; H184-T186 WeakPolarHBondContact NE2-CG2 3.34Å; H184-T186 PolarHBondContact O-N 2.93Å; T186-G188 PolarHBondContact O-N 3.42Å; T186-S189 PolarHBondContact N-OG 3.41Å; T186-S189 WeakPolarHBondContact O-CB 3.36Å; T186-S189 PolarHBondContact O-N 3.45Å; T186-S189 PolarHBondContact O-OG 3.02Å; T186-S189 WeakPolarHBondContact OG1-CB 3.5Å
187K93.4Very high89.3Confident145 Ų14564.9 Ų64.963%0.6335%0.35SS*.THydrogen-bonded Turntrans-53124.2177.7-178.9173.7-177.8-1790111.5L169 D171 S189L169-K187 WeakPolarHBondContact O-CG 3.39Å; D171-K187 WeakPolarHBondContact OD1-CB 3.45Å; D171-K187 PolarHBondContact OD1-N 3.33Å; K187-S189 VanDerWaalsContact C-N 3.34Å
188G90.9Very high89.3Confident40 Ų4064.4 Ų64.441%0.41235%0.348SS..THydrogen-bonded Turntrans84.8-4.3-179.400000115.3C168 T186 H190C168-G188 PolarHBondContact O-N 2.93Å; T186-G188 PolarHBondContact O-N 3.42Å; G188-H190 PolarHBondContact O-CE1 3.27Å; G188-H190 PolarHBondContact O-ND1 3.06Å; G188-H190 VanDerWaalsContact O-ND1 3.09Å
189S93.2Very high89.2Confident22 Ų2258.2 Ų58.215%0.15432%0.319CS..  trans-70153.517267.50000111.6R167 C168 T186 K187 H191R167-S189 WeakPolarHBondContact CA-O 3.33Å; C168-S189 PolarHBondContact N-O 3Å; C168-S189 PolarHBondContact SG-OG 3.18Å; C168-S189 VanDerWaalsContact SG-OG 3.37Å; T186-S189 PolarHBondContact N-OG 3.41Å; T186-S189 WeakPolarHBondContact O-CB 3.36Å; T186-S189 PolarHBondContact O-N 3.45Å; T186-S189 PolarHBondContact O-OG 3.02Å; T186-S189 WeakPolarHBondContact OG1-CB 3.5Å; K187-S189 VanDerWaalsContact C-N 3.34Å; S189-H191 VanDerWaalsContact CB-NE2 3.34Å; S189-H191 WeakPolarHBondContact CB-NE2 3.37Å; S189-H191 PolarHBondContact OG-CD2 3.45Å; S189-H191 PolarHBondContact OG-NE2 2.94Å
190H93.9Very high89Confident102 Ų10255.3 Ų55.347%0.47231%0.31SS..EExtended strand (participates in β ladder)trans-117.4131.5179.9-64.165.4000108.1V166 G188 I210V166-H190 WeakPolarHBondContact O-CA 3.27Å; G188-H190 PolarHBondContact O-CE1 3.27Å; G188-H190 PolarHBondContact O-ND1 3.06Å; G188-H190 VanDerWaalsContact O-ND1 3.09Å; H190-I210 WeakPolarHBondContact CD2-CD1 3.41Å
191H91.7Very high89Confident36 Ų3653.5 Ų53.517%0.16729%0.289CS..EExtended strand (participates in β ladder)trans-135.2142.5-179.8-60-82.3000110.2V166 H184 S189 M193V166-H191 HydrophobicContact CG2-CB 4.29Å; V166-H191 VanDerWaalsContact CG2-O 3.27Å; V166-H191 WeakPolarHBondContact CG2-O 3.41Å; V166-H191 PolarHBondContact N-O 2.97Å; V166-H191 PolarHBondContact O-N 3.37Å; H184-H191 PolarHBondContact O-CE1 3.45Å; H184-H191 PolarHBondContact O-NE2 3.4Å; S189-H191 VanDerWaalsContact CB-NE2 3.34Å; S189-H191 WeakPolarHBondContact CB-NE2 3.37Å; S189-H191 PolarHBondContact OG-CD2 3.45Å; S189-H191 PolarHBondContact OG-NE2 2.94Å; H191-M193 HydrophobicContact CB-CG 3.98Å; H191-M193 HydrophobicContact CB-SD 4.08Å
192L91.7Very high88.9Confident125 Ų12553.2 Ų53.265%0.65428%0.283SS*.EExtended strand (participates in β ladder)trans-95.4118.4166.3-175.170.6000107.5F163F163-L192 HydrophobicContact CB-CD1 3.79Å; F163-L192 HydrophobicContact CB-CG 4.12Å
193M89.9Confident88.4Confident5 Ų554 Ų543%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-137.3157-171.8-73.9179.27000110.3F163 L164 V166 F175 T177 L183 L185 H191 D197 C198F163-M193 WeakPolarHBondContact CA-O 3.38Å; L164-M193 PolarHBondContact N-O 3.37Å; L164-M193 PolarHBondContact O-N 3.06Å; L164-M193 VanDerWaalsContact O-N 3.12Å; V166-M193 HydrophobicContact CG2-CB 4.5Å; V166-M193 HydrophobicContact CG2-CG 4.41Å; V166-M193 HydrophobicContact CG2-SD 4.01Å; F175-M193 HydrophobicContact CD1-CE 3.69Å; F175-M193 HydrophobicContact CE1-CE 3.62Å; T177-M193 HydrophobicContact CG2-CE 3.74Å; L183-M193 HydrophobicContact CD1-CE 3.72Å; L183-M193 HydrophobicContact CD1-CG 3.38Å; L183-M193 HydrophobicContact CD1-SD 3.52Å; L183-M193 VanDerWaalsContact CD1-SD 3.52Å; L185-M193 HydrophobicContact CD2-SD 4.29Å; H191-M193 HydrophobicContact CB-CG 3.98Å; H191-M193 HydrophobicContact CB-SD 4.08Å; M193-D197 HydrophobicContact CE-CB 4.02Å; M193-C198 WeakPolarHBondContact CB-SG 3.42Å
194H90Very high88.2Confident62 Ų6258.1 Ų58.129%0.28730%0.297SS..EExtended strand (participates in β ladder)trans-62.6141.6171.2-97.8-72000110.2F163 T196 D197 C198F163-H194 AromaticContact CE1-CD2 3.39Å; F163-H194 WeakPolarHBondContact CE1-CD2 3.37Å; F163-H194 AromaticContact CE1-CE1 3.61Å; F163-H194 AromaticContact CE1-CG 3.78Å; F163-H194 AromaticContact CE1-ND1 3.91Å; F163-H194 AromaticContact CE1-NE2 3.27Å; F163-H194 VanDerWaalsContact CE1-NE2 3.27Å; F163-H194 WeakPolarHBondContact CE1-NE2 3.37Å; F163-H194 AromaticContact CZ-CD2 3.88Å; F163-H194 AromaticContact CZ-CE1 3.41Å; F163-H194 VanDerWaalsContact CZ-CE1 3.41Å; F163-H194 WeakPolarHBondContact CZ-CE1 3.17Å; F163-H194 AromaticContact CZ-NE2 3.22Å; F163-H194 WeakPolarHBondContact CZ-NE2 3.39Å; H194-T196 PolarHBondContact O-N 2.69Å; H194-D197 VanDerWaalsContact CB-OD2 3.31Å; H194-D197 WeakPolarHBondContact CB-OD2 3.37Å; H194-D197 PolarHBondContact O-N 2.94Å; H194-C198 PolarHBondContact O-N 3.35Å; H194-C198 VanDerWaalsContact O-N 3.11Å
195R85.9Confident87.9Confident43 Ų4354.3 Ų54.316%0.16229%0.287CS..Hα-helixtrans-58.6-38.2-179.7-178.2165.8-174.2134.18.5112.5L162 L164 D197 C198 E199L162-R195 WeakPolarHBondContact O-CB 3.36Å; L162-R195 PolarHBondContact O-N 3.39Å; L164-R195 HydrophobicContact CD1-CB 4.13Å; L164-R195 HydrophobicContact CD1-CG 3.76Å; L164-R195 HydrophobicContact CG-CB 4.22Å; L164-R195 HydrophobicContact CG-CG 4.3Å; R195-D197 VanDerWaalsContact C-N 3.3Å; R195-D197 PolarHBondContact O-N 2.92Å; R195-C198 PolarHBondContact O-N 3.42Å; R195-E199 HydrophobicContact CG-CG 3.83Å; R195-E199 WeakPolarHBondContact CG-OE1 3.31Å; R195-E199 IonicContact CZ-OE1 2.67Å; R195-E199 IonicContact NE-OE1 4Å; R195-E199 PolarHBondContact NE-OE1 3.47Å; R195-E199 IonicContact NH2-OE1 2.6Å; R195-E199 PolarHBondContact NH2-OE1 2.9Å; R195-E199 WeakPolarHBondContact O-CB 3.47Å; R195-E199 VanDerWaalsContact O-CG 3.29Å; R195-E199 WeakPolarHBondContact O-CG 3.41Å; R195-E199 PolarHBondContact O-N 3.01Å
196T85.1Confident87.7Confident80 Ų8055.2 Ų55.249%0.49129%0.292SS..Hα-helixtrans-57.3-44.1178.4-38.70000111.5H194H194-T196 PolarHBondContact O-N 2.69Å
197D87Confident87.7Confident15 Ų1552.9 Ų52.98%0.0828%0.277CS..Hα-helixtrans-70.8-43.4179.3-60.7-53.4000112.2F175 T177 E178 M193 H194 R195F175-D197 HydrophobicContact CE1-CB 4.03Å; F175-D197 HydrophobicContact CZ-CB 4.38Å; T177-D197 HydrophobicContact CG2-CB 4.11Å; E178-D197 PolarHBondContact N-OD1 3.45Å; M193-D197 HydrophobicContact CE-CB 4.02Å; H194-D197 VanDerWaalsContact CB-OD2 3.31Å; H194-D197 WeakPolarHBondContact CB-OD2 3.37Å; H194-D197 PolarHBondContact O-N 2.94Å; R195-D197 VanDerWaalsContact C-N 3.3Å; R195-D197 PolarHBondContact O-N 2.92Å
198C87.2Confident87.6Confident0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-75.2-33.2-174.7-79.40000114.7V166 M193 H194 R195 A200 L201 I202 L207V166-C198 HydrophobicContact CG1-CB 4.06Å; M193-C198 WeakPolarHBondContact CB-SG 3.42Å; H194-C198 PolarHBondContact O-N 3.35Å; H194-C198 VanDerWaalsContact O-N 3.11Å; R195-C198 PolarHBondContact O-N 3.42Å; C198-A200 VanDerWaalsContact C-N 3.27Å; C198-A200 PolarHBondContact O-N 3.04Å; C198-L201 PolarHBondContact O-N 3.23Å; C198-L201 VanDerWaalsContact O-N 3.08Å; C198-I202 HydrophobicContact CB-CD1 3.92Å; C198-I202 HydrophobicContact CB-CG1 4.45Å; C198-I202 VanDerWaalsContact O-CG1 3.29Å; C198-I202 WeakPolarHBondContact O-CG1 3.39Å; C198-I202 PolarHBondContact O-N 3.05Å; C198-L207 HydrophobicContact CB-CD1 4.42Å
199E82.6Confident87.4Confident26 Ų2651.5 Ų51.512%0.12126%0.262CS..Hα-helixtrans-61.2-36.1-168.9-88.4-169.717600113.2Y155 R195 R203Y155-E199 WeakPolarHBondContact CD1-OE2 3.24Å; Y155-E199 WeakPolarHBondContact CE1-OE2 3.47Å; R195-E199 HydrophobicContact CG-CG 3.83Å; R195-E199 WeakPolarHBondContact CG-OE1 3.31Å; R195-E199 IonicContact CZ-OE1 2.67Å; R195-E199 IonicContact NE-OE1 4Å; R195-E199 PolarHBondContact NE-OE1 3.47Å; R195-E199 IonicContact NH2-OE1 2.6Å; R195-E199 PolarHBondContact NH2-OE1 2.9Å; R195-E199 WeakPolarHBondContact O-CB 3.47Å; R195-E199 VanDerWaalsContact O-CG 3.29Å; R195-E199 WeakPolarHBondContact O-CG 3.41Å; R195-E199 PolarHBondContact O-N 3.01Å; E199-R203 WeakPolarHBondContact O-CB 3.38Å; E199-R203 PolarHBondContact O-N 2.81Å
200A82.1Confident87Confident46 Ų4653.2 Ų53.238%0.3827%0.269SS..Hα-helixtrans-62.7-46.1175.400000111.4C198 R203 Q204C198-A200 VanDerWaalsContact C-N 3.27Å; C198-A200 PolarHBondContact O-N 3.04Å; A200-R203 PolarHBondContact O-N 3.37Å; A200-Q204 WeakPolarHBondContact O-CG 3.29Å; A200-Q204 PolarHBondContact O-N 3.36Å; A200-Q204 VanDerWaalsContact O-N 3.11Å
201L86.3Confident86.2Confident6 Ų653.5 Ų53.53%0.03128%0.278CS..Hα-helixtrans-71.8-34.3-179-63.4174000112.5F172 F175 L185 C198 R203 Q204 G205 I206 L207F172-L201 HydrophobicContact CD2-CD2 4.43Å; F172-L201 HydrophobicContact CE1-CD2 4.31Å; F172-L201 HydrophobicContact CE2-CD2 3.98Å; F172-L201 HydrophobicContact CZ-CD2 3.9Å; F175-L201 HydrophobicContact CD1-CD1 4.45Å; F175-L201 HydrophobicContact CD2-CD1 3.96Å; F175-L201 HydrophobicContact CE1-CD1 4.33Å; F175-L201 HydrophobicContact CE2-CD1 3.8Å; F175-L201 HydrophobicContact CE2-CD2 4.44Å; F175-L201 HydrophobicContact CE2-CG 4.33Å; F175-L201 HydrophobicContact CG-CD1 4.28Å; F175-L201 HydrophobicContact CZ-CD1 4Å; L185-L201 HydrophobicContact CD1-CD1 3.9Å; C198-L201 PolarHBondContact O-N 3.23Å; C198-L201 VanDerWaalsContact O-N 3.08Å; L201-R203 VanDerWaalsContact C-N 3.35Å; L201-Q204 PolarHBondContact O-N 3.36Å; L201-G205 PolarHBondContact O-N 3.06Å; L201-I206 HydrophobicContact CB-CB 4.47Å; L201-I206 HydrophobicContact CD2-CD1 3.9Å; L201-I206 PolarHBondContact O-N 3.46Å; L201-L207 HydrophobicContact CB-CB 4.29Å; L201-L207 HydrophobicContact CB-CD1 3.57Å; L201-L207 HydrophobicContact CB-CG 3.71Å; L201-L207 HydrophobicContact CD1-CD1 3.65Å; L201-L207 HydrophobicContact CD1-CG 4.27Å; L201-L207 HydrophobicContact CG-CD1 4.27Å; L201-L207 PolarHBondContact O-N 3.23Å
202I86.3Confident84.7Confident49 Ų4964.1 Ų64.125%0.25133%0.328SS..Hα-helixtrans-62.5-44.8172.6-67.3164.6000109.9L164 V166 C198 Q204 G205 L207 H209L164-I202 HydrophobicContact CD1-CD1 4.2Å; V166-I202 HydrophobicContact CG1-CD1 3.93Å; V166-I202 HydrophobicContact CG1-CG1 4.31Å; C198-I202 HydrophobicContact CB-CD1 3.92Å; C198-I202 HydrophobicContact CB-CG1 4.45Å; C198-I202 VanDerWaalsContact O-CG1 3.29Å; C198-I202 WeakPolarHBondContact O-CG1 3.39Å; C198-I202 PolarHBondContact O-N 3.05Å; I202-Q204 VanDerWaalsContact C-N 3.3Å; I202-Q204 PolarHBondContact O-N 3.07Å; I202-G205 PolarHBondContact O-N 3.08Å; I202-L207 WeakPolarHBondContact CA-O 3.43Å; I202-L207 HydrophobicContact CG1-CB 3.81Å; I202-H209 HydrophobicContact CD1-CB 4.2Å
203R78.8Confident84.4Confident129 Ų12961.1 Ų61.149%0.48731%0.311SS..Hα-helixtrans-66.1-32.3179.7-167.3-179.9-63.4105.9-1.2112.8Q154 E199 A200 L201 G205Q154-R203 PolarHBondContact O-NH2 2.96Å; E199-R203 WeakPolarHBondContact O-CB 3.38Å; E199-R203 PolarHBondContact O-N 2.81Å; A200-R203 PolarHBondContact O-N 3.37Å; L201-R203 VanDerWaalsContact C-N 3.35Å; R203-G205 PolarHBondContact O-N 3.39Å
204Q82.5Confident84.1Confident128 Ų12864 Ų6460%0.59833%0.327SS*.THydrogen-bonded Turntrans-74.9-7.7174.3-69.2173.313.400113A200 L201 I202 I206A200-Q204 WeakPolarHBondContact O-CG 3.29Å; A200-Q204 PolarHBondContact O-N 3.36Å; A200-Q204 VanDerWaalsContact O-N 3.11Å; L201-Q204 PolarHBondContact O-N 3.36Å; I202-Q204 VanDerWaalsContact C-N 3.3Å; I202-Q204 PolarHBondContact O-N 3.07Å; Q204-I206 VanDerWaalsContact C-N 3.31Å; Q204-I206 HydrophobicContact CB-CD1 3.8Å; Q204-I206 HydrophobicContact CB-CG1 3.96Å
205G84.2Confident83.7Confident30 Ų3064.1 Ų64.131%0.30933%0.329SS..THydrogen-bonded Turntrans74.921.2-177.800000113.6Q170 L201 I202 R203Q170-G205 PolarHBondContact NE2-O 3.45Å; L201-G205 PolarHBondContact O-N 3.06Å; I202-G205 PolarHBondContact O-N 3.08Å; R203-G205 PolarHBondContact O-N 3.39Å
206I88.2Confident83.6Confident19 Ų1965.4 Ų65.410%0.09734%0.339CS..SBendtrans-88-41.1177.5-58.8169.7000109.4L169 F172 L201 Q204L169-I206 PolarHBondContact N-O 3.1Å; F172-I206 HydrophobicContact CB-CG2 3.99Å; F172-I206 HydrophobicContact CD2-CD1 3.65Å; F172-I206 HydrophobicContact CD2-CG2 3.94Å; F172-I206 HydrophobicContact CE2-CD1 3.63Å; F172-I206 HydrophobicContact CG-CG2 4.22Å; L201-I206 HydrophobicContact CB-CB 4.47Å; L201-I206 HydrophobicContact CD2-CD1 3.9Å; L201-I206 PolarHBondContact O-N 3.46Å; Q204-I206 VanDerWaalsContact C-N 3.31Å; Q204-I206 HydrophobicContact CB-CD1 3.8Å; Q204-I206 HydrophobicContact CB-CG1 3.96Å
207L91Very high83.5Confident3 Ų364.4 Ų64.42%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-110.9151.4176-61.4-177.6000110.9V166 R167 C168 C198 L201 I202V166-L207 HydrophobicContact CB-CB 4.29Å; V166-L207 HydrophobicContact CB-CD1 4.2Å; V166-L207 HydrophobicContact CG2-CD1 3.98Å; R167-L207 CarbonylContact O-C 3.59Å; R167-L207 WeakPolarHBondContact O-CA 3.36Å; C168-L207 HydrophobicContact CB-CD2 4.14Å; C168-L207 WeakPolarHBondContact SG-CD2 3.47Å; C198-L207 HydrophobicContact CB-CD1 4.42Å; L201-L207 HydrophobicContact CB-CB 4.29Å; L201-L207 HydrophobicContact CB-CD1 3.57Å; L201-L207 HydrophobicContact CB-CG 3.71Å; L201-L207 HydrophobicContact CD1-CD1 3.65Å; L201-L207 HydrophobicContact CD1-CG 4.27Å; L201-L207 HydrophobicContact CG-CD1 4.27Å; L201-L207 PolarHBondContact O-N 3.23Å; I202-L207 WeakPolarHBondContact CA-O 3.43Å; I202-L207 HydrophobicContact CG1-CB 3.81Å
208E90.7Very high83.3Confident84 Ų8467.7 Ų67.739%0.39335%0.346SS..EExtended strand (participates in β ladder)trans-121.7130.2170.7-175.1178.3-159.400109V166 R167 L169 I210V166-E208 CarbonylContact C-O 3.54Å; V166-E208 WeakPolarHBondContact CA-O 3.44Å; R167-E208 IonicContact CZ-OE2 3.48Å; R167-E208 PolarHBondContact N-O 2.71Å; R167-E208 IonicContact NE-OE2 3.54Å; R167-E208 IonicContact NH2-OE2 2.65Å; R167-E208 PolarHBondContact NH2-OE2 3.31Å; R167-E208 PolarHBondContact O-N 3.13Å; L169-E208 HydrophobicContact CD1-CB 4.21Å; L169-E208 HydrophobicContact CD2-CB 4.32Å; L169-E208 HydrophobicContact CG-CB 4.22Å; E208-I210 PolarHBondContact O-N 3.31Å
209H87.4Confident83Confident71 Ų7172.6 Ų72.633%0.32937%0.37SS..EExtended strand (participates in β ladder)trans-75.1121.5174.3172.9-134.3000110I202 T211I202-H209 HydrophobicContact CD1-CB 4.2Å; H209-T211 PolarHBondContact ND1-OG1 3.05Å; H209-T211 PolarHBondContact O-N 3.31Å
210I85.4Confident83.1Confident58 Ų5876.2 Ų76.230%0.29739%0.389SS..  trans-78.8105.4176.3-52.5179.8000107.1E165 R167 H190 E208E165-I210 HydrophobicContact CG-CD1 4.12Å; E165-I210 PolarHBondContact O-N 3.49Å; R167-I210 HydrophobicContact CB-CD1 4.07Å; R167-I210 HydrophobicContact CB-CG1 4.19Å; H190-I210 WeakPolarHBondContact CD2-CD1 3.41Å; E208-I210 PolarHBondContact O-N 3.31Å
211T76.5Confident83.1Confident109 Ų10978.7 Ų78.767%0.66939%0.39SS*.  trans-98.3115.9172.4-30.90000106H209H209-T211 PolarHBondContact ND1-OG1 3.05Å; H209-T211 PolarHBondContact O-N 3.31Å
212E60.4Low82.8Confident258 Ų25885.3 Ų85.3100%1.20642%0.423SS*.  trans-52.90169.9-69.9-175.2167.400112.1

Retrieved 212 of 212 residues in 543.2 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).