A0A3Q0KEU5_SCHMA Loading...

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AlphaFold DB , UniProt , Accession A0A3Q0KEU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 696 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.8Very low48.1Very low213 Ų21366.1 Ų66.1100%1.04936%0.358SS*.  0-37.50-84.3-17871.300113.4L3 S4M1-L3 PolarHBondContact O-N 3.19Å; M1-S4 PolarHBondContact O-N 3.02Å; M1-S4 PolarHBondContact O-OG 3.22Å
2M33.6Very low49.9Very low143 Ų14364.9 Ų64.970%0.70435%0.354SS*.Hα-helixtrans-60.9-34.7-175.9-78.2-95.7-81.400115.3Y6M2-Y6 WeakPolarHBondContact O-CB 3.38Å; M2-Y6 PolarHBondContact O-N 3.23Å
3L40.1Very low51.6Low60 Ų6066.1 Ų66.131%0.31436%0.359SS..Hα-helixtrans-68-33.9-180-100.7137.7000113.6M1 M7 E308M1-L3 PolarHBondContact O-N 3.19Å; L3-M7 HydrophobicContact CD2-CE 4.47Å; L3-M7 WeakPolarHBondContact O-CG 3.38Å; L3-M7 PolarHBondContact O-N 3.11Å; L3-M7 VanDerWaalsContact O-N 3.17Å; L3-E308 WeakPolarHBondContact CD2-OE2 3.41Å
4S44.6Very low53Low44 Ų4462 Ų6231%0.30834%0.337SS..Hα-helixtrans-73.4-40.2-177.6590000112.7M1 M7 L8M1-S4 PolarHBondContact O-N 3.02Å; M1-S4 PolarHBondContact O-OG 3.22Å; S4-M7 PolarHBondContact O-N 3.2Å; S4-L8 WeakPolarHBondContact O-CD1 3.5Å; S4-L8 PolarHBondContact O-N 2.81Å
5A47.1Very low54.2Low43 Ų4361.7 Ų61.736%0.35534%0.341SS..Hα-helixtrans-66.4-38.5177.500000112.2L331A5-L331 HydrophobicContact CB-CD2 4.27Å
6Y49.8Very low55.1Low21 Ų2164.3 Ų64.38%0.08236%0.358CS..Hα-helixtrans-61.6-48.8175.7-179-92.1000112.5M2 Q9 L10 L322 K323 L326M2-Y6 WeakPolarHBondContact O-CB 3.38Å; M2-Y6 PolarHBondContact O-N 3.23Å; Y6-Q9 PolarHBondContact O-N 2.85Å; Y6-L10 HydrophobicContact CD1-CD1 4.27Å; Y6-L10 HydrophobicContact CE1-CD1 4.11Å; Y6-L10 HydrophobicContact CE1-CD2 4.33Å; Y6-L322 PolarHBondContact OH-O 3.05Å; Y6-K323 WeakPolarHBondContact CE2-O 3.15Å; Y6-K323 WeakPolarHBondContact OH-CA 3.36Å; Y6-L326 HydrophobicContact CD2-CB 4.21Å; Y6-L326 HydrophobicContact CE1-CD1 4.35Å; Y6-L326 HydrophobicContact CE2-CB 3.13Å; Y6-L326 HydrophobicContact CE2-CD1 4.32Å; Y6-L326 HydrophobicContact CE2-CG 4.3Å; Y6-L326 WeakPolarHBondContact OH-CB 3.14Å; Y6-L326 WeakPolarHBondContact OH-CD1 3.18Å
7M49.7Very low55.8Low4 Ų463.8 Ų63.82%0.0236%0.361CS..Hα-helixtrans-68.5-37.9-175.4-67.3-62-141.900112.3L3 S4 Q9 L10 Y292 L301 S304 L305L3-M7 HydrophobicContact CD2-CE 4.47Å; L3-M7 WeakPolarHBondContact O-CG 3.38Å; L3-M7 PolarHBondContact O-N 3.11Å; L3-M7 VanDerWaalsContact O-N 3.17Å; S4-M7 PolarHBondContact O-N 3.2Å; M7-Q9 PolarHBondContact O-N 3.25Å; M7-Q9 VanDerWaalsContact O-N 3.13Å; M7-L10 WeakPolarHBondContact O-CB 3.49Å; M7-L10 PolarHBondContact O-N 3.22Å; M7-L10 HydrophobicContact SD-CD1 3.39Å; M7-L10 WeakPolarHBondContact SD-CD1 3.33Å; M7-Y292 HydrophobicContact CB-CE2 4Å; M7-Y292 WeakPolarHBondContact CB-OH 3.47Å; M7-Y292 HydrophobicContact CG-CE2 3.84Å; M7-L301 HydrophobicContact CB-CD1 4.13Å; M7-L301 HydrophobicContact CB-CD2 4.26Å; M7-L301 WeakPolarHBondContact O-CD2 3.49Å; M7-S304 WeakPolarHBondContact SD-CB 3.15Å; M7-L305 HydrophobicContact CE-CD2 3.96Å
8L52.1Low56.8Low82 Ų8261.1 Ų61.143%0.42935%0.345SS..Hα-helixtrans-56.4-29.2177.1-87.9154.6000113.5S4S4-L8 WeakPolarHBondContact O-CD1 3.5Å; S4-L8 PolarHBondContact O-N 2.81Å
9Q59Low57.6Low63 Ų6358.1 Ų58.129%0.29433%0.328SS..THydrogen-bonded Turntrans-89.9-5.3179.5-66.7-176.9-48.200113.1Y6 M7 S11 T12 L330Y6-Q9 PolarHBondContact O-N 2.85Å; M7-Q9 PolarHBondContact O-N 3.25Å; M7-Q9 VanDerWaalsContact O-N 3.13Å; Q9-S11 PolarHBondContact O-N 2.7Å; Q9-T12 HydrophobicContact CB-CG2 4.37Å; Q9-T12 VanDerWaalsContact O-CB 3.25Å; Q9-T12 WeakPolarHBondContact O-CB 3.32Å; Q9-T12 WeakPolarHBondContact O-CG2 3.37Å; Q9-T12 PolarHBondContact O-N 3.34Å; Q9-T12 PolarHBondContact O-OG1 2.89Å; Q9-L330 HydrophobicContact CB-CB 4.05Å; Q9-L330 HydrophobicContact CB-CD1 4.07Å; Q9-L330 HydrophobicContact CB-CD2 4.39Å; Q9-L330 HydrophobicContact CB-CG 4.41Å; Q9-L330 VanDerWaalsContact CD-O 3.31Å; Q9-L330 PolarHBondContact NE2-O 3.34Å; Q9-L330 PolarHBondContact OE1-O 3.48Å
10L63.7Low58.3Low1 Ų161.3 Ų61.31%0.00534%0.335CS..THydrogen-bonded Turntrans-71-13.2-179.9-65.3178.3000114Y6 M7 T12 Y52 S53 I56 L301 S304 L326 L330Y6-L10 HydrophobicContact CD1-CD1 4.27Å; Y6-L10 HydrophobicContact CE1-CD1 4.11Å; Y6-L10 HydrophobicContact CE1-CD2 4.33Å; M7-L10 WeakPolarHBondContact O-CB 3.49Å; M7-L10 PolarHBondContact O-N 3.22Å; M7-L10 HydrophobicContact SD-CD1 3.39Å; M7-L10 WeakPolarHBondContact SD-CD1 3.33Å; L10-T12 PolarHBondContact O-N 3.47Å; L10-Y52 WeakPolarHBondContact O-CB 3.39Å; L10-Y52 PolarHBondContact O-N 3.34Å; L10-S53 PolarHBondContact O-N 2.97Å; L10-I56 HydrophobicContact CD1-CD1 3.87Å; L10-I56 HydrophobicContact CD2-CD1 3.54Å; L10-I56 HydrophobicContact CG-CD1 4.28Å; L10-L301 HydrophobicContact CB-CD2 4.49Å; L10-S304 WeakPolarHBondContact CD1-OG 3.28Å; L10-L326 HydrophobicContact CD2-CD1 4.22Å; L10-L330 HydrophobicContact CD2-CD1 3.82Å
11S58.6Low59.2Low53 Ų5361 Ų6137%0.37133%0.333SS..THydrogen-bonded Turntrans-73.5-6.4167.665.30000113.1Q9Q9-S11 PolarHBondContact O-N 2.7Å
12T69.9Low61.4Low52 Ų5251 Ų5132%0.31928%0.284SS..SBendtrans-68.6154.1176.761.90000111.4Q9 L10 R51 Y52 L330Q9-T12 HydrophobicContact CB-CG2 4.37Å; Q9-T12 VanDerWaalsContact O-CB 3.25Å; Q9-T12 WeakPolarHBondContact O-CB 3.32Å; Q9-T12 WeakPolarHBondContact O-CG2 3.37Å; Q9-T12 PolarHBondContact O-N 3.34Å; Q9-T12 PolarHBondContact O-OG1 2.89Å; L10-T12 PolarHBondContact O-N 3.47Å; T12-R51 VanDerWaalsContact O-CA 3.26Å; T12-R51 WeakPolarHBondContact O-CA 3.38Å; T12-Y52 WeakPolarHBondContact O-CD2 3.43Å; T12-Y52 PolarHBondContact O-N 3.05Å; T12-Y52 VanDerWaalsContact OG1-CD2 3.26Å; T12-Y52 WeakPolarHBondContact OG1-CD2 3.08Å; T12-L330 WeakPolarHBondContact OG1-CD2 2.9Å
13I71.5Confident63.5Low80 Ų8044.3 Ų44.341%0.4125%0.251SS..BIsolated β-bridgetrans-70133.7177.2-51.4159.1000108.4R49 I50I13-R49 HydrophobicContact CD1-CB 4.41Å; I13-R49 HydrophobicContact CD1-CG 3.8Å; I13-R49 HydrophobicContact CG1-CB 4.01Å; I13-R49 HydrophobicContact CG1-CG 3.95Å; I13-R49 HydrophobicContact CG2-CB 4Å; I13-R49 HydrophobicContact CG2-CG 3.92Å; I13-I50 CarbonylContact C-O 3.58Å; I13-I50 WeakPolarHBondContact CA-O 3.44Å
14C71.5Confident65.3Low9 Ų947.7 Ų47.76%0.06127%0.265CS..PPolyproline II helixtrans-95.2130.5175.7-169.30000109.2D18 V19 I50 Y52 V55C14-D18 WeakPolarHBondContact SG-CB 3.1Å; C14-V19 HydrophobicContact CB-CG2 4.27Å; C14-V19 VanDerWaalsContact SG-CG2 3.55Å; C14-I50 PolarHBondContact N-O 2.81Å; C14-Y52 HydrophobicContact CB-CD1 4.42Å; C14-Y52 HydrophobicContact CB-CD2 3.89Å; C14-Y52 HydrophobicContact CB-CE2 3.98Å; C14-Y52 HydrophobicContact CB-CG 4.14Å; C14-V55 HydrophobicContact CB-CG2 4.21Å
15C71.6Confident66.9Low58 Ų5847.9 Ų47.939%0.39226%0.262SS..PPolyproline II helixtrans-80.1157.1172.978.60000110.5S17 D18 V19C15-S17 PolarHBondContact O-N 3.44Å; C15-S17 VanDerWaalsContact O-N 3.12Å; C15-S17 PolarHBondContact SG-OG 2.81Å; C15-D18 WeakPolarHBondContact O-CB 3.37Å; C15-D18 PolarHBondContact O-N 2.88Å; C15-D18 PolarHBondContact SG-N 3.3Å; C15-D18 VanDerWaalsContact SG-N 3.43Å; C15-D18 PolarHBondContact SG-OD2 2.94Å; C15-V19 WeakPolarHBondContact O-CG2 3.39Å; C15-V19 PolarHBondContact O-N 3.07Å
16V67.5Low68.3Low102 Ų10246.2 Ų46.262%0.61825%0.248SC*.Hα-helixtrans-54.9-36.3-178.3178.70000112.3V19 R20V16-V19 PolarHBondContact O-N 3.39Å; V16-R20 PolarHBondContact O-N 3.28Å
17S67.6Low69.3Low57 Ų5748.5 Ų48.540%0.39928%0.277SS..Hα-helixtrans-67-38.8177.278.80000112.5C15 R20 N21C15-S17 PolarHBondContact O-N 3.44Å; C15-S17 VanDerWaalsContact O-N 3.12Å; C15-S17 PolarHBondContact SG-OG 2.81Å; S17-R20 PolarHBondContact O-N 3Å; S17-N21 WeakPolarHBondContact O-CB 3.32Å; S17-N21 PolarHBondContact O-N 2.88Å; S17-N21 PolarHBondContact O-ND2 3.16Å
18D74.5Confident70.4Confident14 Ų1449.5 Ų49.58%0.07528%0.283CS..Hα-helixtrans-68.2-39.1177-64.5-31.5000110.4C14 C15 R20 N21 I22 Y52 Y325 K329C14-D18 WeakPolarHBondContact SG-CB 3.1Å; C15-D18 WeakPolarHBondContact O-CB 3.37Å; C15-D18 PolarHBondContact O-N 2.88Å; C15-D18 PolarHBondContact SG-N 3.3Å; C15-D18 VanDerWaalsContact SG-N 3.43Å; C15-D18 PolarHBondContact SG-OD2 2.94Å; D18-R20 PolarHBondContact O-N 3.21Å; D18-N21 PolarHBondContact O-N 3.3Å; D18-I22 WeakPolarHBondContact O-CB 3.32Å; D18-I22 WeakPolarHBondContact O-CD1 3.48Å; D18-I22 VanDerWaalsContact O-CG1 3.23Å; D18-I22 WeakPolarHBondContact O-CG1 3.33Å; D18-I22 PolarHBondContact O-N 3.04Å; D18-Y52 HydrophobicContact CB-CE1 4.31Å; D18-Y52 PolarHBondContact OD2-OH 2.98Å; D18-Y325 PolarHBondContact OD1-OH 3.23Å; D18-K329 WeakPolarHBondContact OD1-CE 3.28Å; D18-K329 IonicContact OD1-NZ 2.8Å; D18-K329 PolarHBondContact OD1-NZ 2.91Å
19V72Confident70.8Confident5 Ų549.9 Ų49.93%0.0329%0.29CS..Hα-helixtrans-58.2-50.9173.2-172.50000110.5C14 C15 V16 N21 I22 L23 L34 I50 V55C14-V19 HydrophobicContact CB-CG2 4.27Å; C14-V19 VanDerWaalsContact SG-CG2 3.55Å; C15-V19 WeakPolarHBondContact O-CG2 3.39Å; C15-V19 PolarHBondContact O-N 3.07Å; V16-V19 PolarHBondContact O-N 3.39Å; V19-N21 VanDerWaalsContact C-N 3.33Å; V19-N21 PolarHBondContact O-N 2.89Å; V19-I22 PolarHBondContact O-N 3.29Å; V19-L23 HydrophobicContact CG1-CD1 4.01Å; V19-L23 HydrophobicContact CG1-CG 4.39Å; V19-L23 WeakPolarHBondContact O-CG 3.41Å; V19-L23 PolarHBondContact O-N 3.41Å; V19-L34 HydrophobicContact CB-CD1 4.29Å; V19-L34 HydrophobicContact CB-CD2 4.41Å; V19-L34 HydrophobicContact CG1-CD1 3.34Å; V19-L34 HydrophobicContact CG1-CD2 3.8Å; V19-L34 HydrophobicContact CG1-CG 4.18Å; V19-I50 HydrophobicContact CG2-CG2 4.49Å; V19-V55 HydrophobicContact CG1-CG1 4.15Å; V19-V55 HydrophobicContact CG1-CG2 4.19Å; V19-V55 HydrophobicContact CG2-CG2 3.85Å
20R69.9Low70.8Confident121 Ų12151 Ų5146%0.45730%0.298SS..Hα-helixtrans-58.1-45.8178.6-175.6-174.2-62.2152.9-0.1111.5V16 S17 D18 L23 Q24 L30V16-R20 PolarHBondContact O-N 3.28Å; S17-R20 PolarHBondContact O-N 3Å; D18-R20 PolarHBondContact O-N 3.21Å; R20-L23 PolarHBondContact O-N 3.28Å; R20-Q24 HydrophobicContact CG-CG 4.49Å; R20-Q24 WeakPolarHBondContact O-CB 3.39Å; R20-Q24 WeakPolarHBondContact O-CG 3.31Å; R20-Q24 PolarHBondContact O-N 2.67Å; R20-L30 HydrophobicContact CB-CD1 4.19Å; R20-L30 HydrophobicContact CG-CD1 4.26Å
21N77.2Confident70.4Confident57 Ų5751.2 Ų51.231%0.30530%0.299SS..Hα-helixtrans-62.9-44.9180-71.5-30.6000111.8S17 D18 V19 L25 Y325S17-N21 WeakPolarHBondContact O-CB 3.32Å; S17-N21 PolarHBondContact O-N 2.88Å; S17-N21 PolarHBondContact O-ND2 3.16Å; D18-N21 PolarHBondContact O-N 3.3Å; V19-N21 VanDerWaalsContact C-N 3.33Å; V19-N21 PolarHBondContact O-N 2.89Å; N21-L25 WeakPolarHBondContact O-CB 3.42Å; N21-L25 PolarHBondContact O-N 2.75Å; N21-Y325 HydrophobicContact CB-CE2 4.13Å; N21-Y325 VanDerWaalsContact CB-OH 3.23Å; N21-Y325 WeakPolarHBondContact CB-OH 3.25Å; N21-Y325 PolarHBondContact ND2-OH 2.94Å
22I79Confident70Confident1 Ų154.3 Ų54.31%0.00532%0.316CS..Hα-helixtrans-62.1-46.4178.5-69.7164.6000110.4D18 V19 L25 L26 Y52 V55 L322 Y325 L326D18-I22 WeakPolarHBondContact O-CB 3.32Å; D18-I22 WeakPolarHBondContact O-CD1 3.48Å; D18-I22 VanDerWaalsContact O-CG1 3.23Å; D18-I22 WeakPolarHBondContact O-CG1 3.33Å; D18-I22 PolarHBondContact O-N 3.04Å; V19-I22 PolarHBondContact O-N 3.29Å; I22-L25 PolarHBondContact O-N 3.41Å; I22-L26 HydrophobicContact CG2-CD1 4.04Å; I22-L26 WeakPolarHBondContact O-CG 3.49Å; I22-L26 PolarHBondContact O-N 3.37Å; I22-Y52 HydrophobicContact CD1-CD1 3.82Å; I22-Y52 HydrophobicContact CD1-CE1 3.77Å; I22-V55 HydrophobicContact CB-CG1 4.24Å; I22-V55 HydrophobicContact CD1-CG1 4.11Å; I22-V55 HydrophobicContact CG2-CG1 3.93Å; I22-L322 HydrophobicContact CG1-CD1 4.35Å; I22-L322 HydrophobicContact CG2-CD1 4Å; I22-Y325 HydrophobicContact CD1-CE1 4.34Å; I22-Y325 HydrophobicContact CG1-CD1 4.11Å; I22-Y325 HydrophobicContact CG1-CE1 3.76Å; I22-L326 HydrophobicContact CD1-CD2 4.26Å
23L77.3Confident69.1Low3 Ų353 Ų532%0.01631%0.306CS..Hα-helixtrans-66.8-42.6-178.9-65-180000111.9V19 R20 L25 L26 G27 L28 L30 P31 L34 Y58V19-L23 HydrophobicContact CG1-CD1 4.01Å; V19-L23 HydrophobicContact CG1-CG 4.39Å; V19-L23 WeakPolarHBondContact O-CG 3.41Å; V19-L23 PolarHBondContact O-N 3.41Å; R20-L23 PolarHBondContact O-N 3.28Å; L23-L25 VanDerWaalsContact C-N 3.31Å; L23-L25 PolarHBondContact O-N 2.75Å; L23-L26 CarbonylContact O-C 3.45Å; L23-L26 PolarHBondContact O-N 3.39Å; L23-G27 PolarHBondContact O-N 3.39Å; L23-L28 HydrophobicContact CB-CB 4.36Å; L23-L28 HydrophobicContact CD2-CB 4.12Å; L23-L28 HydrophobicContact CD2-CD1 4.03Å; L23-L28 PolarHBondContact O-N 3.25Å; L23-L30 HydrophobicContact CD1-CD1 4.28Å; L23-P31 HydrophobicContact CD1-CG 4.38Å; L23-L34 HydrophobicContact CD1-CD1 3.76Å; L23-Y58 HydrophobicContact CD1-CE1 4.4Å; L23-Y58 HydrophobicContact CD2-CD1 3.8Å; L23-Y58 HydrophobicContact CD2-CE1 3.87Å
24Q76.4Confident67.8Low131 Ų13151.1 Ų51.161%0.61230%0.296SS*.Hα-helixtrans-59.5-42.3172.8-78.2-179-15.200112.2R20 L26 G27R20-Q24 HydrophobicContact CG-CG 4.49Å; R20-Q24 WeakPolarHBondContact O-CB 3.39Å; R20-Q24 WeakPolarHBondContact O-CG 3.31Å; R20-Q24 PolarHBondContact O-N 2.67Å; Q24-L26 PolarHBondContact O-N 3.19Å; Q24-G27 PolarHBondContact O-N 2.99Å
25L78.6Confident66.5Low48 Ų4859.5 Ų59.525%0.25133%0.334SS..Hα-helixtrans-64.6-29.4179.4-167.3141.8000112.2N21 I22 L23 L318 I321 L322 Y325N21-L25 WeakPolarHBondContact O-CB 3.42Å; N21-L25 PolarHBondContact O-N 2.75Å; I22-L25 PolarHBondContact O-N 3.41Å; L23-L25 VanDerWaalsContact C-N 3.31Å; L23-L25 PolarHBondContact O-N 2.75Å; L25-L318 VanDerWaalsContact O-CD2 3.31Å; L25-L318 WeakPolarHBondContact O-CD2 3.35Å; L25-I321 HydrophobicContact CD1-CG2 3.79Å; L25-I321 HydrophobicContact CD2-CB 4.16Å; L25-I321 HydrophobicContact CD2-CG2 3.66Å; L25-I321 HydrophobicContact CG-CG2 3.89Å; L25-L322 HydrophobicContact CD2-CB 4.33Å; L25-Y325 HydrophobicContact CD1-CD2 4.24Å; L25-Y325 HydrophobicContact CD1-CG 4.33Å
26L76.8Confident65Low9 Ų960.4 Ų60.45%0.04733%0.334CS..THydrogen-bonded Turntrans-91.81.1175.3-62.7177.3000113.6I22 L23 Q24 L28 A59 L311 L318I22-L26 HydrophobicContact CG2-CD1 4.04Å; I22-L26 WeakPolarHBondContact O-CG 3.49Å; I22-L26 PolarHBondContact O-N 3.37Å; L23-L26 CarbonylContact O-C 3.45Å; L23-L26 PolarHBondContact O-N 3.39Å; Q24-L26 PolarHBondContact O-N 3.19Å; L26-L28 HydrophobicContact CB-CD1 4.06Å; L26-L28 HydrophobicContact CB-CG 4.03Å; L26-L28 HydrophobicContact CD1-CD1 4.37Å; L26-L28 PolarHBondContact O-N 3.19Å; L26-A59 HydrophobicContact CD1-CB 3.46Å; L26-A59 VanDerWaalsContact CD1-CB 3.46Å; L26-L311 HydrophobicContact CD2-CD2 4Å; L26-L318 HydrophobicContact CD2-CB 4.08Å; L26-L318 HydrophobicContact CD2-CD1 4.28Å
27G72Confident63.6Low69 Ų6957.9 Ų57.971%0.71132%0.317SS*.THydrogen-bonded Turntrans66.220.7-176.700000113.9L23 Q24L23-G27 PolarHBondContact O-N 3.39Å; Q24-G27 PolarHBondContact O-N 2.99Å
28L71.4Confident62.3Low24 Ų2456.9 Ų56.913%0.12631%0.312CS..PPolyproline II helixtrans-90.8139.7179.6-64.2175.9000109.9L23 L26 A59 A62 L63L23-L28 HydrophobicContact CB-CB 4.36Å; L23-L28 HydrophobicContact CD2-CB 4.12Å; L23-L28 HydrophobicContact CD2-CD1 4.03Å; L23-L28 PolarHBondContact O-N 3.25Å; L26-L28 HydrophobicContact CB-CD1 4.06Å; L26-L28 HydrophobicContact CB-CG 4.03Å; L26-L28 HydrophobicContact CD1-CD1 4.37Å; L26-L28 PolarHBondContact O-N 3.19Å; L28-A59 HydrophobicContact CD1-CB 3.72Å; L28-A62 HydrophobicContact CD1-CB 3.98Å; L28-A62 HydrophobicContact CD2-CB 3.82Å; L28-L63 HydrophobicContact CD2-CD2 4.07Å; L28-L63 HydrophobicContact CD2-CG 4.38Å
29P61.7Low60.8Low91 Ų9160.2 Ų60.259%0.59133%0.329SS*.PPolyproline II helixtrans-59.4147.6173.227-33.4000109.5P31P29-P31 WeakPolarHBondContact O-CD 3.19Å
30L58.4Low59.2Low87 Ų8764.4 Ų64.446%0.45536%0.356SS..PPolyproline II helixtrans-63.9116.3162.2-164.682.9000105.2R20 L23 V32 L34R20-L30 HydrophobicContact CB-CD1 4.19Å; R20-L30 HydrophobicContact CG-CD1 4.26Å; L23-L30 HydrophobicContact CD1-CD1 4.28Å; L30-V32 PolarHBondContact O-N 3.42Å; L30-L34 HydrophobicContact CD1-CB 4.46Å; L30-L34 HydrophobicContact CD1-CD1 3.31Å; L30-L34 HydrophobicContact CD1-CG 4.5Å; L30-L34 HydrophobicContact CG-CB 4.24Å; L30-L34 HydrophobicContact CG-CD1 3.82Å
31P54.2Low57.6Low5 Ų563.4 Ų63.43%0.03235%0.352CS..PPolyproline II helixtrans-50.9133.9171.313.5-24.6000107.7L23 P29 E33 L34 L37 Y58L23-P31 HydrophobicContact CD1-CG 4.38Å; P29-P31 WeakPolarHBondContact O-CD 3.19Å; P31-E33 VanDerWaalsContact CA-OE2 3.28Å; P31-E33 WeakPolarHBondContact CA-OE2 3.43Å; P31-E33 HydrophobicContact CB-CB 4.1Å; P31-E33 WeakPolarHBondContact CB-OE2 3.4Å; P31-E33 PolarHBondContact O-N 2.88Å; P31-E33 VanDerWaalsContact O-N 3.08Å; P31-L34 HydrophobicContact CG-CB 4.42Å; P31-L34 HydrophobicContact CG-CD1 3.9Å; P31-L34 HydrophobicContact CG-CG 3.94Å; P31-L34 PolarHBondContact O-N 3.43Å; P31-L37 HydrophobicContact CB-CD1 3.76Å; P31-L37 HydrophobicContact CG-CD1 3.42Å; P31-L37 VanDerWaalsContact CG-CD1 3.42Å; P31-Y58 HydrophobicContact CB-CE2 4.3Å; P31-Y58 WeakPolarHBondContact CB-OH 3.46Å; P31-Y58 WeakPolarHBondContact CD-OH 3.49Å; P31-Y58 HydrophobicContact CG-CE1 4.15Å; P31-Y58 HydrophobicContact CG-CE2 4.02Å; P31-Y58 WeakPolarHBondContact CG-OH 3.45Å
32V50.5Low55.7Low118 Ų11862.2 Ų62.272%0.71535%0.346SS*.G310 helixtrans-51.3-31.7168.1175.10000108.5L30 L34 Q35L30-V32 PolarHBondContact O-N 3.42Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 3.44Å; V32-Q35 PolarHBondContact O-N 3.07Å
33E51.5Low53.6Low24 Ų2468.9 Ų68.911%0.11238%0.381CS..G310 helixtrans-70.41.1172.8-46.480.2176.900114.6P31 Q35 M36 L37P31-E33 VanDerWaalsContact CA-OE2 3.28Å; P31-E33 WeakPolarHBondContact CA-OE2 3.43Å; P31-E33 HydrophobicContact CB-CB 4.1Å; P31-E33 WeakPolarHBondContact CB-OE2 3.4Å; P31-E33 PolarHBondContact O-N 2.88Å; P31-E33 VanDerWaalsContact O-N 3.08Å; E33-Q35 PolarHBondContact O-N 2.67Å; E33-Q35 VanDerWaalsContact O-N 3.16Å; E33-M36 VanDerWaalsContact C-N 3.34Å; E33-M36 HydrophobicContact CB-CB 4.37Å; E33-M36 CarbonylContact O-C 3.33Å; E33-M36 WeakPolarHBondContact O-CA 3.27Å; E33-M36 PolarHBondContact O-N 3.35Å; E33-L37 HydrophobicContact CB-CB 4.45Å; E33-L37 HydrophobicContact CB-CD1 4.01Å; E33-L37 HydrophobicContact CB-CG 3.64Å; E33-L37 WeakPolarHBondContact O-CA 3.37Å; E33-L37 WeakPolarHBondContact O-CB 3.41Å; E33-L37 VanDerWaalsContact O-CG 3.32Å; E33-L37 WeakPolarHBondContact O-CG 3.42Å; E33-L37 PolarHBondContact O-N 2.83Å
34L44.3Very low51.6Low41 Ų4179.5 Ų79.522%0.21542%0.421CS..G310 helixtrans-66.8-10.4161.3-98158.9000112.3V19 L23 L30 P31 V32 L37 I50V19-L34 HydrophobicContact CB-CD1 4.29Å; V19-L34 HydrophobicContact CB-CD2 4.41Å; V19-L34 HydrophobicContact CG1-CD1 3.34Å; V19-L34 HydrophobicContact CG1-CD2 3.8Å; V19-L34 HydrophobicContact CG1-CG 4.18Å; L23-L34 HydrophobicContact CD1-CD1 3.76Å; L30-L34 HydrophobicContact CD1-CB 4.46Å; L30-L34 HydrophobicContact CD1-CD1 3.31Å; L30-L34 HydrophobicContact CD1-CG 4.5Å; L30-L34 HydrophobicContact CG-CB 4.24Å; L30-L34 HydrophobicContact CG-CD1 3.82Å; P31-L34 HydrophobicContact CG-CB 4.42Å; P31-L34 HydrophobicContact CG-CD1 3.9Å; P31-L34 HydrophobicContact CG-CG 3.94Å; P31-L34 PolarHBondContact O-N 3.43Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 3.44Å; L34-L37 HydrophobicContact CG-CD1 4.33Å; L34-I50 HydrophobicContact CD2-CD1 3.88Å
35Q43.6Very low49.4Very low184 Ų18482 Ų8286%0.8643%0.426SS*.G310 helixtrans-81.3-15.9160.3-64.9-177.5-2.600113.6V32 E33V32-Q35 PolarHBondContact O-N 3.07Å; E33-Q35 PolarHBondContact O-N 2.67Å; E33-Q35 VanDerWaalsContact O-N 3.16Å
36M41.1Very low47.5Very low77 Ų7785.7 Ų85.738%0.37945%0.453SS..THydrogen-bonded Turntrans-137.1-6.8-169.8-65.5-169.156.400118.1E33 A38 I39 E232E33-M36 VanDerWaalsContact C-N 3.34Å; E33-M36 HydrophobicContact CB-CB 4.37Å; E33-M36 CarbonylContact O-C 3.33Å; E33-M36 WeakPolarHBondContact O-CA 3.27Å; E33-M36 PolarHBondContact O-N 3.35Å; M36-A38 PolarHBondContact O-N 2.95Å; M36-I39 HydrophobicContact CE-CD1 3.77Å; M36-I39 WeakPolarHBondContact O-CG1 3.2Å; M36-I39 PolarHBondContact O-N 2.86Å; M36-E232 WeakPolarHBondContact CE-OE1 3.48Å
37L37.8Very low45.7Very low49 Ų4990.4 Ų90.426%0.25748%0.477SS..THydrogen-bonded Turntrans-68.93.5-173.7-96.6161.3000112.5P31 E33 L34 I39 Y58 M242P31-L37 HydrophobicContact CB-CD1 3.76Å; P31-L37 HydrophobicContact CG-CD1 3.42Å; P31-L37 VanDerWaalsContact CG-CD1 3.42Å; E33-L37 HydrophobicContact CB-CB 4.45Å; E33-L37 HydrophobicContact CB-CD1 4.01Å; E33-L37 HydrophobicContact CB-CG 3.64Å; E33-L37 WeakPolarHBondContact O-CA 3.37Å; E33-L37 WeakPolarHBondContact O-CB 3.41Å; E33-L37 VanDerWaalsContact O-CG 3.32Å; E33-L37 WeakPolarHBondContact O-CG 3.42Å; E33-L37 PolarHBondContact O-N 2.83Å; L34-L37 HydrophobicContact CG-CD1 4.33Å; L37-I39 VanDerWaalsContact C-N 3.33Å; L37-Y58 HydrophobicContact CD1-CD2 4.41Å; L37-Y58 HydrophobicContact CD1-CE2 4.2Å; L37-M242 HydrophobicContact CD2-SD 4.11Å
38A40.9Very low44.5Very low37 Ų3793.4 Ų93.431%0.30648%0.476SS..THydrogen-bonded Turntrans-68-30164.900000112.7M36 I42M36-A38 PolarHBondContact O-N 2.95Å; A38-I42 VanDerWaalsContact CA-CD1 3.44Å; A38-I42 HydrophobicContact CB-CB 4.14Å; A38-I42 HydrophobicContact CB-CD1 3.39Å; A38-I42 HydrophobicContact CB-CG1 3.97Å; A38-I42 WeakPolarHBondContact O-CA 3.28Å; A38-I42 WeakPolarHBondContact O-CB 3.46Å; A38-I42 WeakPolarHBondContact O-CG1 3.44Å; A38-I42 PolarHBondContact O-N 3.36Å
39I41.5Very low43.8Very low83 Ų8399.3 Ų99.343%0.42650%0.497SS..Hα-helixtrans-67.2-50-151.8-69.2173.8000115M36 L37 L43M36-I39 HydrophobicContact CE-CD1 3.77Å; M36-I39 WeakPolarHBondContact O-CG1 3.2Å; M36-I39 PolarHBondContact O-N 2.86Å; L37-I39 VanDerWaalsContact C-N 3.33Å; I39-L43 HydrophobicContact CG2-CD1 3.76Å; I39-L43 WeakPolarHBondContact O-CB 3.14Å; I39-L43 WeakPolarHBondContact O-CD1 3.5Å; I39-L43 WeakPolarHBondContact O-CG 3.37Å; I39-L43 PolarHBondContact O-N 3.24Å
40P39.6Very low44.1Very low93 Ų9397.3 Ų97.360%0.60448%0.481SS*.Hα-helixtrans-79.6-25.6-174.1-17.732.7000115.1M242P40-M242 HydrophobicContact CG-CE 4.3Å
41R35.6Very low44.8Very low100 Ų10097.9 Ų97.938%0.37748%0.477SS..Hα-helixtrans-97.2-25178.7-81-172.1171.2168.73.7113.9D54 S249R41-D54 IonicContact NH1-OD1 3.83Å; R41-D54 PolarHBondContact NH1-OD1 3.48Å; R41-S249 PolarHBondContact NH2-OG 3.03Å
42I37.4Very low45.8Very low32 Ų3298 Ų9816%0.16448%0.477CS..Hα-helixtrans-89.1-23.3-179-53.5-171.6000111.9A38 R44 Y45 N48A38-I42 VanDerWaalsContact CA-CD1 3.44Å; A38-I42 HydrophobicContact CB-CB 4.14Å; A38-I42 HydrophobicContact CB-CD1 3.39Å; A38-I42 HydrophobicContact CB-CG1 3.97Å; A38-I42 WeakPolarHBondContact O-CA 3.28Å; A38-I42 WeakPolarHBondContact O-CB 3.46Å; A38-I42 WeakPolarHBondContact O-CG1 3.44Å; A38-I42 PolarHBondContact O-N 3.36Å; I42-R44 PolarHBondContact O-N 2.9Å; I42-Y45 CarbonylContact O-C 3.54Å; I42-Y45 PolarHBondContact O-N 2.84Å; I42-N48 VanDerWaalsContact CG2-OD1 3.22Å; I42-N48 WeakPolarHBondContact CG2-OD1 3.39Å
43L34.3Very low46.9Very low141 Ų14192.6 Ų92.674%0.73844%0.444SS*.THydrogen-bonded Turntrans-69.4-2.4177.7-79.3172.8000115.6I39I39-L43 HydrophobicContact CG2-CD1 3.76Å; I39-L43 WeakPolarHBondContact O-CB 3.14Å; I39-L43 WeakPolarHBondContact O-CD1 3.5Å; I39-L43 WeakPolarHBondContact O-CG 3.37Å; I39-L43 PolarHBondContact O-N 3.24Å
44R36.4Very low47.9Very low226 Ų22692.8 Ų92.885%0.85345%0.446SS*.THydrogen-bonded Turntrans-103.7-7.8166.5-77-169.8175173.2-0.2114.9I42I42-R44 PolarHBondContact O-N 2.9Å
45Y30.3Very low49.4Very low184 Ų18491.1 Ų91.172%0.72244%0.438SS*.SBendtrans-146126.9177.7-75.7-80.9000112.2I42 I47I42-Y45 CarbonylContact O-C 3.54Å; I42-Y45 PolarHBondContact O-N 2.84Å; Y45-I47 PolarHBondContact O-N 2.96Å
46P39.1Very low51Low126 Ų12682.8 Ų82.882%0.81840%0.399SS*.SBendtrans-78.529.7-164.633.3-37.1000115.2
47I37.7Very low52.8Low108 Ų10879.1 Ų79.155%0.55438%0.381SS*.  trans-129.1104.2177.8-43.2179.5000109.7Y45 R49Y45-I47 PolarHBondContact O-N 2.96Å; I47-R49 HydrophobicContact CG2-CG 3.79Å; I47-R49 PolarHBondContact O-N 2.67Å
48N46.9Very low54.6Low131 Ų13177.8 Ų77.870%0.70137%0.373SS*.  trans-58.250-179.8-71.2-8.5000115.1I42I42-N48 VanDerWaalsContact CG2-OD1 3.22Å; I42-N48 WeakPolarHBondContact CG2-OD1 3.39Å
49R57.8Low56.3Low148 Ų14876.2 Ų76.256%0.55836%0.359SS*.  trans-111.6100.4-172-77.5171-179.7-1614.7110.7I13 I47 R51I13-R49 HydrophobicContact CD1-CB 4.41Å; I13-R49 HydrophobicContact CD1-CG 3.8Å; I13-R49 HydrophobicContact CG1-CB 4.01Å; I13-R49 HydrophobicContact CG1-CG 3.95Å; I13-R49 HydrophobicContact CG2-CB 4Å; I13-R49 HydrophobicContact CG2-CG 3.92Å; I47-R49 HydrophobicContact CG2-CG 3.79Å; I47-R49 PolarHBondContact O-N 2.67Å; R49-R51 PolarHBondContact O-N 2.89Å
50I67.1Low58.2Low50 Ų5072.3 Ų72.326%0.25634%0.339SS..  trans-66.8127.4168.1-59175.6000107.7I13 C14 V19 L34 D54 V55I13-I50 CarbonylContact C-O 3.58Å; I13-I50 WeakPolarHBondContact CA-O 3.44Å; C14-I50 PolarHBondContact N-O 2.81Å; V19-I50 HydrophobicContact CG2-CG2 4.49Å; L34-I50 HydrophobicContact CD2-CD1 3.88Å; I50-D54 HydrophobicContact CG2-CB 4.47Å; I50-V55 HydrophobicContact CG2-CG2 3.57Å
51R73.1Confident60.1Low98 Ų9867.9 Ų67.937%0.3731%0.311SS..BIsolated β-bridgetrans-95.1156.4174.8-58167.4-64.3174.35.8110.5T12 R49 S53 D54 V55T12-R51 VanDerWaalsContact O-CA 3.26Å; T12-R51 WeakPolarHBondContact O-CA 3.38Å; R49-R51 PolarHBondContact O-N 2.89Å; R51-S53 PolarHBondContact O-N 3.23Å; R51-D54 WeakPolarHBondContact CB-OD2 3.4Å; R51-D54 IonicContact CZ-OD1 3.25Å; R51-D54 IonicContact CZ-OD2 2.62Å; R51-D54 PolarHBondContact N-OD2 2.85Å; R51-D54 IonicContact NE-OD2 3.83Å; R51-D54 PolarHBondContact NE-OD2 3.38Å; R51-D54 IonicContact NH2-OD1 3.72Å; R51-D54 PolarHBondContact NH2-OD1 2.97Å; R51-D54 IonicContact NH2-OD2 2.9Å; R51-D54 PolarHBondContact NH2-OD2 2.97Å; R51-D54 WeakPolarHBondContact O-CB 3.05Å; R51-D54 PolarHBondContact O-N 3.04Å; R51-V55 PolarHBondContact O-N 3.41Å
52Y76.3Confident62.1Low8 Ų864.8 Ų64.83%0.03131%0.307CS..Hα-helixtrans-55.5-37172.4-81.6-88.6000112.1L10 T12 C14 D18 I22 D54 V55 I56 L326 L330L10-Y52 WeakPolarHBondContact O-CB 3.39Å; L10-Y52 PolarHBondContact O-N 3.34Å; T12-Y52 WeakPolarHBondContact O-CD2 3.43Å; T12-Y52 PolarHBondContact O-N 3.05Å; T12-Y52 VanDerWaalsContact OG1-CD2 3.26Å; T12-Y52 WeakPolarHBondContact OG1-CD2 3.08Å; C14-Y52 HydrophobicContact CB-CD1 4.42Å; C14-Y52 HydrophobicContact CB-CD2 3.89Å; C14-Y52 HydrophobicContact CB-CE2 3.98Å; C14-Y52 HydrophobicContact CB-CG 4.14Å; D18-Y52 HydrophobicContact CB-CE1 4.31Å; D18-Y52 PolarHBondContact OD2-OH 2.98Å; I22-Y52 HydrophobicContact CD1-CD1 3.82Å; I22-Y52 HydrophobicContact CD1-CE1 3.77Å; Y52-D54 VanDerWaalsContact C-N 3.26Å; Y52-D54 PolarHBondContact O-N 3.34Å; Y52-V55 PolarHBondContact O-N 2.9Å; Y52-I56 VanDerWaalsContact O-CB 3.32Å; Y52-I56 WeakPolarHBondContact O-CB 3.29Å; Y52-I56 WeakPolarHBondContact O-CD1 3.44Å; Y52-I56 WeakPolarHBondContact O-CG1 3.5Å; Y52-I56 PolarHBondContact O-N 2.81Å; Y52-L326 HydrophobicContact CD1-CD2 3.29Å; Y52-L326 HydrophobicContact CE1-CD2 3.23Å; Y52-L326 HydrophobicContact CG-CD2 4.34Å; Y52-L330 HydrophobicContact CD2-CD2 4.07Å; Y52-L330 HydrophobicContact CE2-CD2 3.77Å
53S73.2Confident64.1Low4 Ų465.2 Ų65.23%0.02831%0.309CS..Hα-helixtrans-58.4-33.9173.762.70000113.8L10 R51 L57L10-S53 PolarHBondContact O-N 2.97Å; R51-S53 PolarHBondContact O-N 3.23Å; S53-L57 WeakPolarHBondContact O-CB 3.42Å; S53-L57 PolarHBondContact O-N 3.4Å
54D72.4Confident66.2Low29 Ų2958.6 Ų58.616%0.15528%0.275CS..Hα-helixtrans-76.3-39.9179.5-60.6-56000111R41 I50 R51 Y52 I56 L57 Y58R41-D54 IonicContact NH1-OD1 3.83Å; R41-D54 PolarHBondContact NH1-OD1 3.48Å; I50-D54 HydrophobicContact CG2-CB 4.47Å; R51-D54 WeakPolarHBondContact CB-OD2 3.4Å; R51-D54 IonicContact CZ-OD1 3.25Å; R51-D54 IonicContact CZ-OD2 2.62Å; R51-D54 PolarHBondContact N-OD2 2.85Å; R51-D54 IonicContact NE-OD2 3.83Å; R51-D54 PolarHBondContact NE-OD2 3.38Å; R51-D54 IonicContact NH2-OD1 3.72Å; R51-D54 PolarHBondContact NH2-OD1 2.97Å; R51-D54 IonicContact NH2-OD2 2.9Å; R51-D54 PolarHBondContact NH2-OD2 2.97Å; R51-D54 WeakPolarHBondContact O-CB 3.05Å; R51-D54 PolarHBondContact O-N 3.04Å; Y52-D54 VanDerWaalsContact C-N 3.26Å; Y52-D54 PolarHBondContact O-N 3.34Å; D54-I56 VanDerWaalsContact C-N 3.35Å; D54-L57 PolarHBondContact O-N 3.25Å; D54-Y58 WeakPolarHBondContact O-CB 3.49Å; D54-Y58 PolarHBondContact O-N 3.5Å
55V75.3Confident67.9Low6 Ų651.7 Ų51.74%0.03626%0.261CS..Hα-helixtrans-63.6-42.5174.5-178.10000111.1C14 V19 I22 I50 R51 Y52 Y58 A59C14-V55 HydrophobicContact CB-CG2 4.21Å; V19-V55 HydrophobicContact CG1-CG1 4.15Å; V19-V55 HydrophobicContact CG1-CG2 4.19Å; V19-V55 HydrophobicContact CG2-CG2 3.85Å; I22-V55 HydrophobicContact CB-CG1 4.24Å; I22-V55 HydrophobicContact CD1-CG1 4.11Å; I22-V55 HydrophobicContact CG2-CG1 3.93Å; I50-V55 HydrophobicContact CG2-CG2 3.57Å; R51-V55 PolarHBondContact O-N 3.41Å; Y52-V55 PolarHBondContact O-N 2.9Å; V55-Y58 WeakPolarHBondContact O-CB 3.47Å; V55-Y58 PolarHBondContact O-N 3.24Å; V55-A59 WeakPolarHBondContact O-CB 3.15Å; V55-A59 PolarHBondContact O-N 3.01Å
56I77.7Confident69.7Low9 Ų945.7 Ų45.75%0.04624%0.243CC..Hα-helixtrans-66.6-40.7178.6-72.7170.2000110.8L10 Y52 D54 A59 A60 A307 L326L10-I56 HydrophobicContact CD1-CD1 3.87Å; L10-I56 HydrophobicContact CD2-CD1 3.54Å; L10-I56 HydrophobicContact CG-CD1 4.28Å; Y52-I56 VanDerWaalsContact O-CB 3.32Å; Y52-I56 WeakPolarHBondContact O-CB 3.29Å; Y52-I56 WeakPolarHBondContact O-CD1 3.44Å; Y52-I56 WeakPolarHBondContact O-CG1 3.5Å; Y52-I56 PolarHBondContact O-N 2.81Å; D54-I56 VanDerWaalsContact C-N 3.35Å; I56-A59 PolarHBondContact O-N 3Å; I56-A60 WeakPolarHBondContact O-CB 3.47Å; I56-A60 PolarHBondContact O-N 3.14Å; I56-A307 HydrophobicContact CB-CB 4.44Å; I56-A307 HydrophobicContact CG2-CB 3.05Å; I56-L326 HydrophobicContact CD1-CD1 3.85Å
57L77.7Confident70.7Confident0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-61.4-46.2173-18061.1000111.7S53 D54 A59 A60 C61 V248 F252 Y306S53-L57 WeakPolarHBondContact O-CB 3.42Å; S53-L57 PolarHBondContact O-N 3.4Å; D54-L57 PolarHBondContact O-N 3.25Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 3.39Å; L57-A60 PolarHBondContact O-N 3.47Å; L57-C61 PolarHBondContact O-N 2.96Å; L57-C61 PolarHBondContact O-SG 3.16Å; L57-C61 VanDerWaalsContact O-SG 3.34Å; L57-V248 HydrophobicContact CD1-CB 4.4Å; L57-V248 HydrophobicContact CD1-CG1 3.68Å; L57-F252 HydrophobicContact CD1-CE2 4.01Å; L57-Y306 HydrophobicContact CD1-CD1 3.78Å; L57-Y306 HydrophobicContact CD1-CE1 4.07Å
58Y76.9Confident71.6Confident21 Ų2136.5 Ų36.58%0.08219%0.19CC..Hα-helixtrans-56.2-49.9176.5174.8-85.3000110.8L23 P31 L37 D54 V55 A60 C61 A62 L241 I245L23-Y58 HydrophobicContact CD1-CE1 4.4Å; L23-Y58 HydrophobicContact CD2-CD1 3.8Å; L23-Y58 HydrophobicContact CD2-CE1 3.87Å; P31-Y58 HydrophobicContact CB-CE2 4.3Å; P31-Y58 WeakPolarHBondContact CB-OH 3.46Å; P31-Y58 WeakPolarHBondContact CD-OH 3.49Å; P31-Y58 HydrophobicContact CG-CE1 4.15Å; P31-Y58 HydrophobicContact CG-CE2 4.02Å; P31-Y58 WeakPolarHBondContact CG-OH 3.45Å; L37-Y58 HydrophobicContact CD1-CD2 4.41Å; L37-Y58 HydrophobicContact CD1-CE2 4.2Å; D54-Y58 WeakPolarHBondContact O-CB 3.49Å; D54-Y58 PolarHBondContact O-N 3.5Å; V55-Y58 WeakPolarHBondContact O-CB 3.47Å; V55-Y58 PolarHBondContact O-N 3.24Å; Y58-A60 VanDerWaalsContact C-N 3.33Å; Y58-A60 PolarHBondContact O-N 3.32Å; Y58-C61 PolarHBondContact O-N 2.95Å; Y58-A62 WeakPolarHBondContact O-CB 3.48Å; Y58-A62 PolarHBondContact O-N 3.29Å; Y58-L241 HydrophobicContact CD2-CD2 4.48Å; Y58-L241 HydrophobicContact CE1-CD2 4.48Å; Y58-L241 HydrophobicContact CE2-CD2 3.63Å; Y58-L241 HydrophobicContact CE2-CG 4.36Å; Y58-L241 WeakPolarHBondContact OH-CD2 3.36Å; Y58-I245 HydrophobicContact CD2-CD1 3.58Å; Y58-I245 HydrophobicContact CE2-CD1 4.16Å; Y58-I245 HydrophobicContact CG-CD1 4.44Å
59A76.6Confident71.8Confident3 Ų334.5 Ų34.53%0.02518%0.183CC..Hα-helixtrans-62.3-40179.400000112.6L26 L28 V55 I56 L57 A62 L63L26-A59 HydrophobicContact CD1-CB 3.46Å; L26-A59 VanDerWaalsContact CD1-CB 3.46Å; L28-A59 HydrophobicContact CD1-CB 3.72Å; V55-A59 WeakPolarHBondContact O-CB 3.15Å; V55-A59 PolarHBondContact O-N 3.01Å; I56-A59 PolarHBondContact O-N 3Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 3.39Å; A59-A62 PolarHBondContact O-N 3.46Å; A59-L63 WeakPolarHBondContact O-CB 3.46Å; A59-L63 VanDerWaalsContact O-CG 3.27Å; A59-L63 WeakPolarHBondContact O-CG 3.38Å; A59-L63 PolarHBondContact O-N 3.08Å
60A80Confident71.4Confident1 Ų128.1 Ų28.11%0.00816%0.161CC..Hα-helixtrans-61.8-50.6175.100000111.7I56 L57 Y58 A62 L63 D64 Y306 A307 I310I56-A60 WeakPolarHBondContact O-CB 3.47Å; I56-A60 PolarHBondContact O-N 3.14Å; L57-A60 PolarHBondContact O-N 3.47Å; Y58-A60 VanDerWaalsContact C-N 3.33Å; Y58-A60 PolarHBondContact O-N 3.32Å; A60-A62 PolarHBondContact O-N 3.5Å; A60-L63 CarbonylContact O-C 3.54Å; A60-L63 PolarHBondContact O-N 3.2Å; A60-L63 VanDerWaalsContact O-N 3.1Å; A60-D64 VanDerWaalsContact O-CB 3.31Å; A60-D64 WeakPolarHBondContact O-CB 3.41Å; A60-D64 PolarHBondContact O-N 3.05Å; A60-Y306 HydrophobicContact CB-CD1 3.83Å; A60-Y306 HydrophobicContact CB-CE1 3.59Å; A60-A307 HydrophobicContact CB-CB 3.59Å; A60-I310 HydrophobicContact CB-CB 4.42Å; A60-I310 HydrophobicContact CB-CG1 4.47Å
61C80.2Confident70.3Confident0 Ų026.6 Ų26.60%015%0.153CC..Hα-helixtrans-61.9-30.8178.3-67.60000112.9L57 Y58 L241 K244 I245L57-C61 PolarHBondContact O-N 2.96Å; L57-C61 PolarHBondContact O-SG 3.16Å; L57-C61 VanDerWaalsContact O-SG 3.34Å; Y58-C61 PolarHBondContact O-N 2.95Å; C61-L241 HydrophobicContact CB-CD1 3.83Å; C61-K244 HydrophobicContact CB-CB 4.24Å; C61-K244 WeakPolarHBondContact O-CD 3.4Å; C61-I245 HydrophobicContact CB-CG1 3.69Å
62A76.8Confident68.9Low36 Ų3628 Ų2830%0.29816%0.163SC..Hα-helixtrans-72.8-33.417600000112.7L28 Y58 A59 A60 L241L28-A62 HydrophobicContact CD1-CB 3.98Å; L28-A62 HydrophobicContact CD2-CB 3.82Å; Y58-A62 WeakPolarHBondContact O-CB 3.48Å; Y58-A62 PolarHBondContact O-N 3.29Å; A59-A62 PolarHBondContact O-N 3.46Å; A60-A62 PolarHBondContact O-N 3.5Å; A62-L241 HydrophobicContact CB-CD1 3.96Å; A62-L241 HydrophobicContact CB-CD2 4.22Å
63L80.4Confident67.4Low41 Ų4131.7 Ų31.722%0.21520%0.196CC..Hα-helixtrans-87.7-17.9178.3-66.4171.2000113.1L28 A59 A60 S65 I310 L311 N314L28-L63 HydrophobicContact CD2-CD2 4.07Å; L28-L63 HydrophobicContact CD2-CG 4.38Å; A59-L63 WeakPolarHBondContact O-CB 3.46Å; A59-L63 VanDerWaalsContact O-CG 3.27Å; A59-L63 WeakPolarHBondContact O-CG 3.38Å; A59-L63 PolarHBondContact O-N 3.08Å; A60-L63 CarbonylContact O-C 3.54Å; A60-L63 PolarHBondContact O-N 3.2Å; A60-L63 VanDerWaalsContact O-N 3.1Å; L63-S65 PolarHBondContact O-N 3.35Å; L63-I310 HydrophobicContact CB-CG2 3.99Å; L63-L311 HydrophobicContact CD1-CD2 3.49Å; L63-L311 VanDerWaalsContact CD1-CD2 3.49Å; L63-L311 HydrophobicContact CD1-CG 4.43Å; L63-N314 PolarHBondContact O-ND2 3.14Å
64D79.2Confident66.1Low2 Ų234.3 Ų34.31%0.01121%0.214CC..  trans-80104.9-177.5-165-14.4000112A60 T66 I67 K244 Y306 I310A60-D64 VanDerWaalsContact O-CB 3.31Å; A60-D64 WeakPolarHBondContact O-CB 3.41Å; A60-D64 PolarHBondContact O-N 3.05Å; D64-T66 WeakPolarHBondContact OD1-CA 3.45Å; D64-T66 WeakPolarHBondContact OD1-CB 3.45Å; D64-T66 PolarHBondContact OD1-N 3.17Å; D64-T66 PolarHBondContact OD1-OG1 2.9Å; D64-I67 HydrophobicContact CB-CD1 4.24Å; D64-I67 HydrophobicContact CB-CG1 4.44Å; D64-I67 PolarHBondContact OD1-N 3.18Å; D64-I67 VanDerWaalsContact OD1-N 3.15Å; D64-I67 WeakPolarHBondContact OD2-CD1 3.36Å; D64-I67 VanDerWaalsContact OD2-CG1 3.24Å; D64-I67 WeakPolarHBondContact OD2-CG1 3.34Å; D64-K244 PolarHBondContact O-NZ 3.35Å; D64-Y306 VanDerWaalsContact CB-OH 3.28Å; D64-Y306 WeakPolarHBondContact CB-OH 3.5Å; D64-Y306 VanDerWaalsContact CG-OH 3.3Å; D64-Y306 PolarHBondContact OD2-OH 3.48Å; D64-I310 HydrophobicContact CB-CD1 4.05Å; D64-I310 HydrophobicContact CB-CG1 4.24Å; D64-I310 HydrophobicContact CB-CG2 4.07Å; D64-I310 VanDerWaalsContact CG-CD1 3.48Å; D64-I310 WeakPolarHBondContact OD2-CD1 3.13Å
65S71.1Confident64.8Low80 Ų8036.2 Ų36.256%0.55922%0.221SC*.SBendtrans-81.8-18.317256.30000113.2L63L63-S65 PolarHBondContact O-N 3.35Å
66T67.8Low63.2Low58 Ų5837.2 Ų37.236%0.35623%0.233SC..SBendtrans-82.9-23.6-176.370.60000113.3D64 V68 T69D64-T66 WeakPolarHBondContact OD1-CA 3.45Å; D64-T66 WeakPolarHBondContact OD1-CB 3.45Å; D64-T66 PolarHBondContact OD1-N 3.17Å; D64-T66 PolarHBondContact OD1-OG1 2.9Å; T66-V68 PolarHBondContact O-N 3.16Å; T66-T69 PolarHBondContact O-OG1 2.99Å; T66-T69 VanDerWaalsContact O-OG1 3.14Å
67I61.1Low61.8Low0 Ų044.1 Ų44.10%027%0.269CS..Hα-helixtrans-62.9-30.4174.8-82.4173.5000111.6D64 T69 S70 L71 K244 F247 V248 Y306D64-I67 HydrophobicContact CB-CD1 4.24Å; D64-I67 HydrophobicContact CB-CG1 4.44Å; D64-I67 PolarHBondContact OD1-N 3.18Å; D64-I67 VanDerWaalsContact OD1-N 3.15Å; D64-I67 WeakPolarHBondContact OD2-CD1 3.36Å; D64-I67 VanDerWaalsContact OD2-CG1 3.24Å; D64-I67 WeakPolarHBondContact OD2-CG1 3.34Å; I67-T69 PolarHBondContact O-N 2.87Å; I67-S70 CarbonylContact O-C 3.58Å; I67-S70 WeakPolarHBondContact O-CA 3.35Å; I67-S70 PolarHBondContact O-N 3.17Å; I67-L71 HydrophobicContact CG2-CB 3.93Å; I67-L71 WeakPolarHBondContact O-CB 3.46Å; I67-L71 PolarHBondContact O-N 2.89Å; I67-K244 HydrophobicContact CG2-CB 4.03Å; I67-K244 HydrophobicContact CG2-CD 4.16Å; I67-K244 HydrophobicContact CG2-CG 3.63Å; I67-F247 HydrophobicContact CG2-CD1 4.16Å; I67-V248 HydrophobicContact CD1-CG2 3.36Å; I67-Y306 HydrophobicContact CD1-CE2 4.37Å; I67-Y306 WeakPolarHBondContact CD1-OH 3.27Å
68V56.1Low60.9Low42 Ų4247.4 Ų47.426%0.25529%0.286SS..Hα-helixtrans-54.1-43.5-176.1-178.50000110.9T66 L71 E72 E240 K244T66-V68 PolarHBondContact O-N 3.16Å; V68-L71 PolarHBondContact O-N 2.82Å; V68-E72 WeakPolarHBondContact O-CB 3.4Å; V68-E72 WeakPolarHBondContact O-CG 3.45Å; V68-E72 PolarHBondContact O-N 3.01Å; V68-E240 VanDerWaalsContact CG2-OE1 3.29Å; V68-E240 WeakPolarHBondContact CG2-OE1 3.35Å; V68-K244 VanDerWaalsContact CG2-CE 3.44Å; V68-K244 VanDerWaalsContact CG2-NZ 3.34Å
69T50.3Low60.8Low89 Ų8955.3 Ų55.355%0.54632%0.316SS..Hα-helixtrans-67.9-36.6176.63.20000112.8T66 I67 A73T66-T69 PolarHBondContact O-OG1 2.99Å; T66-T69 VanDerWaalsContact O-OG1 3.14Å; I67-T69 PolarHBondContact O-N 2.87Å; T69-A73 WeakPolarHBondContact O-CB 3.37Å; T69-A73 PolarHBondContact O-N 2.85Å
70S49.4Very low61.2Low14 Ų1458 Ų5810%0.09833%0.326CS..Hα-helixtrans-75.9-30.4176.5-58.50000112.5I67 A73 S74 N280I67-S70 CarbonylContact O-C 3.58Å; I67-S70 WeakPolarHBondContact O-CA 3.35Å; I67-S70 PolarHBondContact O-N 3.17Å; S70-A73 PolarHBondContact O-N 3.05Å; S70-S74 WeakPolarHBondContact O-CB 3.31Å; S70-S74 PolarHBondContact O-N 3.3Å; S70-S74 PolarHBondContact O-OG 3.23Å; S70-N280 WeakPolarHBondContact OG-CB 3.28Å
71L45.2Very low61.5Low17 Ų1758.3 Ų58.39%0.08933%0.327CS..Hα-helixtrans-74.2-42.3177.7-171.274.9000109.6I67 V68 A73 S74 F75 N243 K244 F247I67-L71 HydrophobicContact CG2-CB 3.93Å; I67-L71 WeakPolarHBondContact O-CB 3.46Å; I67-L71 PolarHBondContact O-N 2.89Å; V68-L71 PolarHBondContact O-N 2.82Å; L71-A73 PolarHBondContact O-N 3.38Å; L71-S74 PolarHBondContact O-N 2.8Å; L71-F75 HydrophobicContact CD1-CB 3.62Å; L71-F75 HydrophobicContact CD1-CD1 4.39Å; L71-F75 HydrophobicContact CD1-CD2 3.63Å; L71-F75 HydrophobicContact CD1-CG 3.6Å; L71-F75 HydrophobicContact CG-CB 3.95Å; L71-F75 HydrophobicContact CG-CG 4.45Å; L71-F75 CarbonylContact O-C 3.48Å; L71-F75 WeakPolarHBondContact O-CA 3.35Å; L71-F75 VanDerWaalsContact O-CB 3.31Å; L71-F75 WeakPolarHBondContact O-CB 3.29Å; L71-F75 PolarHBondContact O-N 3.49Å; L71-N243 HydrophobicContact CD1-CB 4.43Å; L71-N243 HydrophobicContact CD2-CB 4.05Å; L71-K244 HydrophobicContact CD2-CG 3.92Å; L71-F247 HydrophobicContact CD1-CB 3.59Å; L71-F247 HydrophobicContact CD1-CD1 3.93Å; L71-F247 HydrophobicContact CD1-CG 3.97Å
72E44Very low62.1Low127 Ų12758.3 Ų58.359%0.59333%0.327SS*.Hα-helixtrans-59.3-36.4169.5-73.9169.5171.400111.5V68V68-E72 WeakPolarHBondContact O-CB 3.4Å; V68-E72 WeakPolarHBondContact O-CG 3.45Å; V68-E72 PolarHBondContact O-N 3.01Å
73A44.9Very low63Low87 Ų8756.6 Ų56.672%0.71931%0.313SS*.Hα-helixtrans-79.6-28.3177.200000114.9T69 S70 L71T69-A73 WeakPolarHBondContact O-CB 3.37Å; T69-A73 PolarHBondContact O-N 2.85Å; S70-A73 PolarHBondContact O-N 3.05Å; L71-A73 PolarHBondContact O-N 3.38Å
74S44.6Very low63.8Low58 Ų5854.6 Ų54.641%0.40630%0.303SS..Hα-helixtrans-111.6-41-171.262.50000114.4S70 L71 G76 F247S70-S74 WeakPolarHBondContact O-CB 3.31Å; S70-S74 PolarHBondContact O-N 3.3Å; S70-S74 PolarHBondContact O-OG 3.23Å; L71-S74 PolarHBondContact O-N 2.8Å; S74-G76 PolarHBondContact O-N 3.07Å; S74-F247 VanDerWaalsContact OG-CE1 3.32Å; S74-F247 WeakPolarHBondContact OG-CE1 3.44Å; S74-F247 WeakPolarHBondContact OG-CE2 3.3Å; S74-F247 WeakPolarHBondContact OG-CZ 3.45Å
75F44.5Very low64.5Low70 Ų7054.6 Ų54.631%0.30730%0.303SS..SBendtrans-97.350165.1-78.2-109.9000107.5L71 L77 F247L71-F75 HydrophobicContact CD1-CB 3.62Å; L71-F75 HydrophobicContact CD1-CD1 4.39Å; L71-F75 HydrophobicContact CD1-CD2 3.63Å; L71-F75 HydrophobicContact CD1-CG 3.6Å; L71-F75 HydrophobicContact CG-CB 3.95Å; L71-F75 HydrophobicContact CG-CG 4.45Å; L71-F75 CarbonylContact O-C 3.48Å; L71-F75 WeakPolarHBondContact O-CA 3.35Å; L71-F75 VanDerWaalsContact O-CB 3.31Å; L71-F75 WeakPolarHBondContact O-CB 3.29Å; L71-F75 PolarHBondContact O-N 3.49Å; F75-L77 PolarHBondContact O-N 2.81Å; F75-F247 HydrophobicContact CD2-CB 3.48Å; F75-F247 VanDerWaalsContact CD2-CB 3.48Å; F75-F247 HydrophobicContact CD2-CD1 4.46Å; F75-F247 AromaticContact CD2-CD2 3.51Å; F75-F247 HydrophobicContact CD2-CD2 3.51Å; F75-F247 HydrophobicContact CD2-CE2 4.25Å; F75-F247 AromaticContact CD2-CG 3.55Å; F75-F247 HydrophobicContact CD2-CG 3.55Å; F75-F247 HydrophobicContact CE2-CB 3.16Å; F75-F247 AromaticContact CE2-CD2 3.18Å; F75-F247 HydrophobicContact CE2-CD2 3.18Å; F75-F247 HydrophobicContact CE2-CE2 4.18Å; F75-F247 AromaticContact CE2-CG 3.44Å; F75-F247 HydrophobicContact CE2-CG 3.44Å; F75-F247 VanDerWaalsContact CE2-CG 3.44Å; F75-F247 HydrophobicContact CG-CB 4.41Å; F75-F247 HydrophobicContact CZ-CB 3.74Å; F75-F247 HydrophobicContact CZ-CD2 4.33Å; F75-F247 HydrophobicContact CZ-CG 4.44Å
76G43.1Very low65.5Low27 Ų2751 Ų5128%0.27828%0.279SS..  trans-42.3126.5161.400000106.9S74 N78S74-G76 PolarHBondContact O-N 3.07Å; G76-N78 WeakPolarHBondContact O-CB 3.46Å; G76-N78 PolarHBondContact O-N 2.76Å
77L47.6Very low66.3Low154 Ų15449 Ų4981%0.80627%0.268SS*.SBendtrans-51.841.8179.8-74.4146.7000113.5F75F75-L77 PolarHBondContact O-N 2.81Å
78N59.2Low67Low68 Ų6851.1 Ų51.136%0.36428%0.283SS..  trans-84.8-17.6-165.9-73.8-40.4000110.8G76 K127 V131G76-N78 WeakPolarHBondContact O-CB 3.46Å; G76-N78 PolarHBondContact O-N 2.76Å; N78-K127 PolarHBondContact ND2-NZ 2.97Å; N78-K127 PolarHBondContact OD1-NZ 2.95Å; N78-V131 WeakPolarHBondContact O-CG2 3.32Å
79R73.8Confident67.9Low187 Ų18754.3 Ų54.371%0.70630%0.298SS*.  trans-82.8127.3173.4-75.8-164161.6156.9-3.1109.5V131R79-V131 HydrophobicContact CG-CB 4.34Å; R79-V131 WeakPolarHBondContact CG-O 3.33Å
80Y85.7Confident69.3Low60 Ų6052.9 Ų52.924%0.23529%0.291CS..  trans-105.1144.3171.3-59.4-78000109F82 T108 Y109 Y110 A128 V131 S132 D133Y80-F82 PolarHBondContact O-N 3Å; Y80-T108 WeakPolarHBondContact CA-OG1 3.14Å; Y80-Y109 VanDerWaalsContact CD1-O 3.29Å; Y80-Y109 WeakPolarHBondContact CD1-O 3.45Å; Y80-Y109 WeakPolarHBondContact CE1-O 3.32Å; Y80-Y110 AromaticContact CE2-CD2 3.79Å; Y80-Y110 HydrophobicContact CE2-CD2 3.79Å; Y80-Y110 HydrophobicContact CE2-CG 4.19Å; Y80-Y110 AromaticContact CZ-CD2 3.77Å; Y80-A128 HydrophobicContact CD2-CB 4.1Å; Y80-A128 HydrophobicContact CE2-CB 3.89Å; Y80-V131 HydrophobicContact CD2-CG2 4.32Å; Y80-S132 WeakPolarHBondContact CB-OG 3.39Å; Y80-S132 CarbonylContact O-C 3.49Å; Y80-S132 WeakPolarHBondContact O-CA 3.47Å; Y80-D133 PolarHBondContact O-N 3.38Å
81D86.2Confident70.9Confident7 Ų752.3 Ų52.34%0.03729%0.287CS..SBendtrans-67.1-35.4170.9-58.8-65.6000110.1L107 T108 I134 L226 K229D81-L107 HydrophobicContact CB-CB 4.2Å; D81-L107 HydrophobicContact CB-CD2 4.19Å; D81-L107 WeakPolarHBondContact OD2-CA 3.47Å; D81-T108 WeakPolarHBondContact CA-O 3.48Å; D81-T108 VanDerWaalsContact CB-O 3.25Å; D81-T108 WeakPolarHBondContact CB-O 3.35Å; D81-T108 PolarHBondContact N-O 3.42Å; D81-T108 PolarHBondContact N-OG1 3.01Å; D81-T108 PolarHBondContact OD2-N 3.27Å; D81-T108 PolarHBondContact OD2-OG1 3.16Å; D81-I134 PolarHBondContact O-N 3.18Å; D81-I134 VanDerWaalsContact O-N 3.09Å; D81-L226 HydrophobicContact CB-CD1 3.87Å; D81-L226 HydrophobicContact CB-CD2 4.08Å; D81-L226 WeakPolarHBondContact OD1-CD2 3.29Å; D81-K229 IonicContact OD1-NZ 2.93Å; D81-K229 PolarHBondContact OD1-NZ 3.46Å
82F93.3Very high73.1Confident0 Ų053.6 Ų53.60%030%0.295CS..EExtended strand (participates in β ladder)trans-132137.5-178.9-76.2-101.5000113.2Y80 L84 L102 L107 T108 Y109 Y110 I134 L136 A220 V221 L226Y80-F82 PolarHBondContact O-N 3Å; F82-L84 HydrophobicContact CB-CD2 4.09Å; F82-L102 HydrophobicContact CB-CD1 4.05Å; F82-L102 HydrophobicContact CD1-CD2 4.48Å; F82-L102 HydrophobicContact CD2-CD1 4.26Å; F82-L102 HydrophobicContact CD2-CD2 3.52Å; F82-L102 HydrophobicContact CE1-CD2 4.49Å; F82-L102 HydrophobicContact CE2-CD2 3.57Å; F82-L102 HydrophobicContact CG-CD1 4.05Å; F82-L102 HydrophobicContact CG-CD2 4.03Å; F82-L102 HydrophobicContact CZ-CD2 4.06Å; F82-L107 HydrophobicContact CD2-CD1 4.46Å; F82-L107 HydrophobicContact CE2-CD1 3.88Å; F82-T108 PolarHBondContact N-O 3.25Å; F82-T108 VanDerWaalsContact N-O 3.12Å; F82-Y109 CarbonylContact O-C 3.56Å; F82-Y109 WeakPolarHBondContact O-CA 3.22Å; F82-Y110 PolarHBondContact O-N 2.85Å; F82-I134 CarbonylContact C-O 3.4Å; F82-I134 WeakPolarHBondContact CA-O 3.45Å; F82-I134 HydrophobicContact CD1-CB 4.17Å; F82-I134 HydrophobicContact CD1-CG2 4.12Å; F82-I134 HydrophobicContact CE1-CB 4.21Å; F82-I134 HydrophobicContact CE1-CD1 4.07Å; F82-I134 HydrophobicContact CE1-CG2 3.96Å; F82-I134 HydrophobicContact CE2-CD1 4.1Å; F82-I134 HydrophobicContact CZ-CD1 3.7Å; F82-L136 HydrophobicContact CD1-CB 4.2Å; F82-A220 HydrophobicContact CE1-CB 3.57Å; F82-A220 HydrophobicContact CZ-CB 3.71Å; F82-V221 HydrophobicContact CE2-CG2 4.03Å; F82-V221 HydrophobicContact CZ-CG2 3.74Å; F82-L226 HydrophobicContact CD2-CD1 4.3Å; F82-L226 HydrophobicContact CE2-CD1 3.61Å; F82-L226 HydrophobicContact CZ-CD1 4.36Å
83F96.1Very high75.4Confident0 Ų047.8 Ų47.80%027%0.268CS..EExtended strand (participates in β ladder)trans-98.4129.3156.1180-95.6000109.3G85 Y110 P112 E125 A128 K129 I134 L135 L136 F137F83-G85 VanDerWaalsContact CE1-CA 3.5Å; F83-G85 PolarHBondContact O-N 3.41Å; F83-Y110 AromaticContact CD2-CD1 3.66Å; F83-Y110 HydrophobicContact CD2-CD1 3.66Å; F83-Y110 HydrophobicContact CD2-CG 4.32Å; F83-Y110 AromaticContact CE2-CD1 3.47Å; F83-Y110 HydrophobicContact CE2-CD1 3.47Å; F83-Y110 VanDerWaalsContact CE2-CD1 3.47Å; F83-Y110 AromaticContact CE2-CE1 3.9Å; F83-Y110 HydrophobicContact CE2-CE1 3.9Å; F83-Y110 HydrophobicContact CE2-CG 4.5Å; F83-P112 HydrophobicContact CE2-CG 4.49Å; F83-P112 HydrophobicContact CZ-CB 4.39Å; F83-P112 HydrophobicContact CZ-CG 4.09Å; F83-E125 HydrophobicContact CE2-CG 3.61Å; F83-E125 HydrophobicContact CZ-CG 3.65Å; F83-A128 HydrophobicContact CD2-CB 4.24Å; F83-A128 HydrophobicContact CE2-CB 4.48Å; F83-K129 HydrophobicContact CD1-CG 3.89Å; F83-K129 HydrophobicContact CD2-CG 3.6Å; F83-K129 HydrophobicContact CE1-CD 3.87Å; F83-K129 HydrophobicContact CE1-CG 3.66Å; F83-K129 HydrophobicContact CE2-CD 4.08Å; F83-K129 HydrophobicContact CE2-CG 3.37Å; F83-K129 HydrophobicContact CG-CG 3.86Å; F83-K129 HydrophobicContact CZ-CD 3.63Å; F83-K129 HydrophobicContact CZ-CG 3.4Å; F83-K129 VanDerWaalsContact CZ-CG 3.4Å; F83-I134 PolarHBondContact N-O 3.21Å; F83-L135 HydrophobicContact CB-CD2 3.54Å; F83-L135 HydrophobicContact CD1-CD2 4.4Å; F83-L135 HydrophobicContact CG-CD2 4.16Å; F83-L136 PolarHBondContact O-N 3.25Å; F83-F137 AromaticContact CD1-CE2 3.98Å; F83-F137 HydrophobicContact CD1-CE2 3.98Å; F83-F137 HydrophobicContact CD1-CZ 4.48Å; F83-F137 AromaticContact CE1-CE2 3.94Å; F83-F137 HydrophobicContact CE1-CE2 3.94Å; F83-F137 AromaticContact CE1-CZ 3.98Å; F83-F137 HydrophobicContact CE1-CZ 3.98Å
84L96.3Very high77.7Confident0 Ų043.7 Ų43.70%023%0.234CC..EExtended strand (participates in β ladder)trans-99.671.5-176.2-54.7-176.8000112.1F82 W93 R94 A98 I99 L102 Y109 Y110 N111 P112 L136F82-L84 HydrophobicContact CB-CD2 4.09Å; L84-W93 HydrophobicContact CB-CH2 4.01Å; L84-W93 HydrophobicContact CB-CZ3 4.39Å; L84-W93 HydrophobicContact CD2-CZ3 4.46Å; L84-R94 PolarHBondContact O-NE 3.38Å; L84-R94 PolarHBondContact O-NH2 3.1Å; L84-A98 HydrophobicContact CD2-CB 4.42Å; L84-I99 HydrophobicContact CD1-CD1 4.46Å; L84-I99 HydrophobicContact CD1-CG1 3.97Å; L84-L102 HydrophobicContact CD2-CD1 4.06Å; L84-Y109 HydrophobicContact CD1-CD2 3.9Å; L84-Y109 HydrophobicContact CD1-CG 4.22Å; L84-Y110 PolarHBondContact N-O 3.35Å; L84-N111 HydrophobicContact CD1-CB 4.36Å; L84-P112 WeakPolarHBondContact O-CD 3.49Å; L84-P112 VanDerWaalsContact O-CG 3.23Å; L84-P112 WeakPolarHBondContact O-CG 3.2Å; L84-L136 CarbonylContact C-O 3.53Å; L84-L136 HydrophobicContact CD2-CD2 4.14Å
85G94.7Very high80Confident1 Ų147.4 Ų47.41%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-77.7167.2-179.700000114.9F83 W93 L136 F137 V138F83-G85 VanDerWaalsContact CE1-CA 3.5Å; F83-G85 PolarHBondContact O-N 3.41Å; G85-W93 WeakPolarHBondContact O-CH2 3.3Å; G85-W93 VanDerWaalsContact O-CZ2 3.25Å; G85-W93 WeakPolarHBondContact O-CZ2 3.29Å; G85-L136 WeakPolarHBondContact CA-O 3.29Å; G85-L136 PolarHBondContact N-O 3Å; G85-F137 WeakPolarHBondContact O-CA 3.42Å; G85-V138 PolarHBondContact O-N 2.9Å; G85-V138 VanDerWaalsContact O-N 3.14Å
86G91.7Very high82.3Confident6 Ų650.2 Ų50.26%0.06226%0.257CS..EExtended strand (participates in β ladder)trans116.6172-173.700000112.1C88 R94 V138G86-C88 PolarHBondContact O-N 2.87Å; G86-R94 PolarHBondContact O-NH2 3.05Å; G86-V138 WeakPolarHBondContact CA-O 3.44Å
87A84.2Confident84.7Confident15 Ų1550.9 Ų50.912%0.12426%0.255CS..  trans-57.6143.118000000110.7T91 R94 T144 S149A87-T91 HydrophobicContact CB-CG2 4.29Å; A87-T91 PolarHBondContact O-OG1 2.98Å; A87-R94 PolarHBondContact O-NH1 2.96Å; A87-T144 HydrophobicContact CB-CG2 3.89Å; A87-T144 WeakPolarHBondContact CB-OG1 3.35Å; A87-S149 PolarHBondContact N-OG 3.45Å
88C76.9Confident87Confident44 Ų4443.6 Ų43.630%0.29722%0.217SC..  trans-82.3-80-179.1-72.10000110.4G86 T91 Q113G86-C88 PolarHBondContact O-N 2.87Å; C88-T91 WeakPolarHBondContact O-CA 3.46Å; C88-T91 WeakPolarHBondContact O-CB 3.35Å; C88-T91 PolarHBondContact O-N 2.83Å; C88-T91 PolarHBondContact O-OG1 2.81Å; C88-Q113 HydrophobicContact CB-CB 4.15Å; C88-Q113 HydrophobicContact CB-CG 3.87Å; C88-Q113 PolarHBondContact O-NE2 2.95Å
89N75Confident88.6Confident109 Ų10941.5 Ų41.558%0.58321%0.205SC*.THydrogen-bonded Turntrans-94.6138.9-175.6-61-30.1000110.9Q113 T144N89-Q113 PolarHBondContact OD1-NE2 3.26Å; N89-T144 WeakPolarHBondContact O-CG2 3.35Å
90P78.6Confident89.5Confident60 Ų6035.5 Ų35.539%0.3919%0.191SC..THydrogen-bonded Turncis-96.730.84.138.2-32.2000113.5R143P90-R143 HydrophobicContact CG-CB 4.13Å
91T84.2Confident89.5Confident2 Ų233.4 Ų33.41%0.01218%0.184CC..  trans-73.4142-174.379.10000111.8A87 C88 W93 R94 Q113 E140 T144A87-T91 HydrophobicContact CB-CG2 4.29Å; A87-T91 PolarHBondContact O-OG1 2.98Å; C88-T91 WeakPolarHBondContact O-CA 3.46Å; C88-T91 WeakPolarHBondContact O-CB 3.35Å; C88-T91 PolarHBondContact O-N 2.83Å; C88-T91 PolarHBondContact O-OG1 2.81Å; T91-W93 PolarHBondContact OG1-NE1 3.46Å; T91-R94 PolarHBondContact OG1-NH1 3.11Å; T91-Q113 PolarHBondContact O-NE2 2.89Å; T91-E140 WeakPolarHBondContact CA-OE2 3.43Å; T91-E140 VanDerWaalsContact CB-OE2 3.23Å; T91-E140 WeakPolarHBondContact CB-OE2 3.28Å; T91-E140 HydrophobicContact CG2-CB 4.29Å; T91-E140 HydrophobicContact CG2-CG 4.45Å; T91-E140 WeakPolarHBondContact CG2-OE2 3.33Å; T91-T144 HydrophobicContact CG2-CG2 4.28Å
92T89.6Confident89.6Confident44 Ų4433.1 Ų33.127%0.2718%0.182SC..  trans-121.7-8.3-173.954.40000114R94 K95 E96T92-R94 PolarHBondContact O-N 2.76Å; T92-K95 PolarHBondContact O-N 3.32Å; T92-E96 VanDerWaalsContact CB-CD 3.43Å; T92-E96 WeakPolarHBondContact CB-OE1 3.07Å; T92-E96 PolarHBondContact O-N 3Å; T92-E96 PolarHBondContact OG1-OE1 2.83Å; T92-E96 PolarHBondContact OG1-OE2 2.85Å
93W92.7Very high89.2Confident4 Ų437.4 Ų37.42%0.01521%0.205CC..Hα-helixtrans-53.5-27.9-177.363.4-95.9000114.3L84 G85 T91 V97 A98 L136 V138 V213L84-W93 HydrophobicContact CB-CH2 4.01Å; L84-W93 HydrophobicContact CB-CZ3 4.39Å; L84-W93 HydrophobicContact CD2-CZ3 4.46Å; G85-W93 WeakPolarHBondContact O-CH2 3.3Å; G85-W93 VanDerWaalsContact O-CZ2 3.25Å; G85-W93 WeakPolarHBondContact O-CZ2 3.29Å; T91-W93 PolarHBondContact OG1-NE1 3.46Å; W93-V97 WeakPolarHBondContact O-CA 3.2Å; W93-V97 WeakPolarHBondContact O-CB 3.39Å; W93-V97 PolarHBondContact O-N 3.36Å; W93-A98 HydrophobicContact CE3-CB 3.97Å; W93-A98 HydrophobicContact CZ3-CB 3.96Å; W93-A98 PolarHBondContact O-N 2.79Å; W93-L136 HydrophobicContact CZ3-CD2 4.16Å; W93-V138 HydrophobicContact CD2-CB 3.78Å; W93-V138 HydrophobicContact CD2-CG1 3.98Å; W93-V138 HydrophobicContact CD2-CG2 3.67Å; W93-V138 VanDerWaalsContact CE2-CB 3.44Å; W93-V138 HydrophobicContact CE3-CB 4.23Å; W93-V138 HydrophobicContact CE3-CG2 3.58Å; W93-V138 HydrophobicContact CG-CB 4.27Å; W93-V138 HydrophobicContact CG-CG1 3.94Å; W93-V138 HydrophobicContact CG-CG2 4.45Å; W93-V138 HydrophobicContact CH2-CB 4.03Å; W93-V138 HydrophobicContact CH2-CG2 3.55Å; W93-V138 HydrophobicContact CZ2-CB 3.58Å; W93-V138 HydrophobicContact CZ2-CG2 3.67Å; W93-V138 HydrophobicContact CZ3-CB 4.34Å; W93-V138 HydrophobicContact CZ3-CG2 3.52Å; W93-V213 HydrophobicContact CB-CG1 4.34Å; W93-V213 HydrophobicContact CB-CG2 3.98Å; W93-V213 HydrophobicContact CE3-CG1 3.93Å; W93-V213 HydrophobicContact CG-CG2 4.43Å
94R94.5Very high88.6Confident1 Ų146.2 Ų46.20%0.00424%0.238CC..Iπ-helixtrans-60.5-56.7174.4-64.6-172.818078.91.7110.5L84 G86 A87 T91 T92 A98 I99 N111L84-R94 PolarHBondContact O-NE 3.38Å; L84-R94 PolarHBondContact O-NH2 3.1Å; G86-R94 PolarHBondContact O-NH2 3.05Å; A87-R94 PolarHBondContact O-NH1 2.96Å; T91-R94 PolarHBondContact OG1-NH1 3.11Å; T92-R94 PolarHBondContact O-N 2.76Å; R94-A98 PolarHBondContact O-N 2.58Å; R94-I99 HydrophobicContact CB-CD1 4.3Å; R94-I99 WeakPolarHBondContact O-CB 3.45Å; R94-I99 VanDerWaalsContact O-CG1 3.26Å; R94-I99 WeakPolarHBondContact O-CG1 3.36Å; R94-I99 PolarHBondContact O-N 3.47Å; R94-N111 WeakPolarHBondContact CD-OD1 3.47Å; R94-N111 PolarHBondContact NE-OD1 3.49Å
95K92.2Very high87.7Confident137 Ų13748.5 Ų48.560%0.59625%0.25SS*.Iπ-helixtrans-72.7-36.5-177.5-65-177.7-179.8179.20112.2T92 P100T92-K95 PolarHBondContact O-N 3.32Å; K95-P100 VanDerWaalsContact O-CD 3.28Å; K95-P100 WeakPolarHBondContact O-CD 3.22Å; K95-P100 VanDerWaalsContact O-CG 3.24Å; K95-P100 WeakPolarHBondContact O-CG 3.44Å
96E92.2Very high86.8Confident129 Ų12951.1 Ų51.160%0.60328%0.278SS*.Iπ-helixtrans-84.4-30.7-173.5-70.1172.2-171.800113.9T92T92-E96 VanDerWaalsContact CB-CD 3.43Å; T92-E96 WeakPolarHBondContact CB-OE1 3.07Å; T92-E96 PolarHBondContact O-N 3Å; T92-E96 PolarHBondContact OG1-OE1 2.83Å; T92-E96 PolarHBondContact OG1-OE2 2.85Å
97V94.7Very high86.3Confident41 Ų4151.2 Ų51.225%0.24828%0.277CS..Iπ-helixtrans-128.5-59.8-169.6-173.20000112.5W93 I101 V213 K214W93-V97 WeakPolarHBondContact O-CA 3.2Å; W93-V97 WeakPolarHBondContact O-CB 3.39Å; W93-V97 PolarHBondContact O-N 3.36Å; V97-I101 HydrophobicContact CG1-CD1 4.01Å; V97-I101 WeakPolarHBondContact O-CD1 3.47Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.3Å; V97-I101 PolarHBondContact O-N 3.27Å; V97-V213 HydrophobicContact CB-CB 4.45Å; V97-V213 HydrophobicContact CB-CG1 4.11Å; V97-V213 HydrophobicContact CG1-CB 4.12Å; V97-V213 HydrophobicContact CG1-CG1 3.94Å; V97-K214 HydrophobicContact CG1-CB 3.88Å
98A94.7Very high86.3Confident0 Ų053.5 Ų53.50%029%0.289CS..Iπ-helixtrans-68-54.9-169.900000112.2L84 W93 R94 I101 L102 V217L84-A98 HydrophobicContact CD2-CB 4.42Å; W93-A98 HydrophobicContact CE3-CB 3.97Å; W93-A98 HydrophobicContact CZ3-CB 3.96Å; W93-A98 PolarHBondContact O-N 2.79Å; R94-A98 PolarHBondContact O-N 2.58Å; A98-I101 PolarHBondContact O-N 2.84Å; A98-I101 VanDerWaalsContact O-N 3.17Å; A98-L102 VanDerWaalsContact O-CG 3.28Å; A98-L102 WeakPolarHBondContact O-CG 3.36Å; A98-L102 PolarHBondContact O-N 3.06Å; A98-V217 HydrophobicContact CB-CG2 4.11Å
99I94Very high86.9Confident24 Ų2454.3 Ų54.312%0.12329%0.286CS..Hα-helixtrans-58.9-48.8-177.7-70171000111.8L84 R94 I101 L102 D103 Y109L84-I99 HydrophobicContact CD1-CD1 4.46Å; L84-I99 HydrophobicContact CD1-CG1 3.97Å; R94-I99 HydrophobicContact CB-CD1 4.3Å; R94-I99 WeakPolarHBondContact O-CB 3.45Å; R94-I99 VanDerWaalsContact O-CG1 3.26Å; R94-I99 WeakPolarHBondContact O-CG1 3.36Å; R94-I99 PolarHBondContact O-N 3.47Å; I99-I101 PolarHBondContact O-N 2.92Å; I99-L102 PolarHBondContact O-N 3.17Å; I99-L102 VanDerWaalsContact O-N 3.09Å; I99-D103 VanDerWaalsContact CG2-OD2 3.23Å; I99-D103 WeakPolarHBondContact CG2-OD2 3.38Å; I99-D103 WeakPolarHBondContact O-CB 3.3Å; I99-D103 PolarHBondContact O-N 2.9Å; I99-Y109 HydrophobicContact CD1-CE2 4.01Å; I99-Y109 HydrophobicContact CG1-CD2 4.25Å; I99-Y109 HydrophobicContact CG1-CE2 3.73Å; I99-Y109 HydrophobicContact CG2-CE1 4.41Å; I99-Y109 HydrophobicContact CG2-CE2 4.39Å; I99-Y109 VanDerWaalsContact CG2-OH 3.27Å; I99-Y109 WeakPolarHBondContact CG2-OH 3.34Å
100P91.5Very high87.8Confident61 Ų6150.6 Ų50.640%0.39626%0.264SS..Hα-helixtrans-57.1-35.4176.8-2835.5000114.2K95 R104K95-P100 VanDerWaalsContact O-CD 3.28Å; K95-P100 WeakPolarHBondContact O-CD 3.22Å; K95-P100 VanDerWaalsContact O-CG 3.24Å; K95-P100 WeakPolarHBondContact O-CG 3.44Å; P100-R104 WeakPolarHBondContact O-CB 3.46Å; P100-R104 PolarHBondContact O-N 2.87Å
101I87.4Confident88.4Confident17 Ų1749.7 Ų49.79%0.08726%0.256CS..Hα-helixtrans-70.8-46.4176.1-66.2167.7000110.3V97 A98 I99 L105 K214 V217V97-I101 HydrophobicContact CG1-CD1 4.01Å; V97-I101 WeakPolarHBondContact O-CD1 3.47Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.3Å; V97-I101 PolarHBondContact O-N 3.27Å; A98-I101 PolarHBondContact O-N 2.84Å; A98-I101 VanDerWaalsContact O-N 3.17Å; I99-I101 PolarHBondContact O-N 2.92Å; I101-L105 HydrophobicContact CG2-CD1 3.86Å; I101-L105 WeakPolarHBondContact O-CB 3.49Å; I101-L105 WeakPolarHBondContact O-CG 3.34Å; I101-L105 PolarHBondContact O-N 3.41Å; I101-L105 VanDerWaalsContact O-N 3.16Å; I101-K214 HydrophobicContact CD1-CB 4.43Å; I101-K214 HydrophobicContact CD1-CG 3.96Å; I101-V217 HydrophobicContact CB-CG1 4.17Å; I101-V217 HydrophobicContact CD1-CG1 4.37Å; I101-V217 HydrophobicContact CG2-CG1 3.67Å
102L87.3Confident88.7Confident0 Ų050.3 Ų50.30%026%0.26CS..Hα-helixtrans-67.2-43.7-177.4-63.8175.4000112F82 L84 A98 I99 L105 G106 L107 Y109 V217F82-L102 HydrophobicContact CB-CD1 4.05Å; F82-L102 HydrophobicContact CD1-CD2 4.48Å; F82-L102 HydrophobicContact CD2-CD1 4.26Å; F82-L102 HydrophobicContact CD2-CD2 3.52Å; F82-L102 HydrophobicContact CE1-CD2 4.49Å; F82-L102 HydrophobicContact CE2-CD2 3.57Å; F82-L102 HydrophobicContact CG-CD1 4.05Å; F82-L102 HydrophobicContact CG-CD2 4.03Å; F82-L102 HydrophobicContact CZ-CD2 4.06Å; L84-L102 HydrophobicContact CD2-CD1 4.06Å; A98-L102 VanDerWaalsContact O-CG 3.28Å; A98-L102 WeakPolarHBondContact O-CG 3.36Å; A98-L102 PolarHBondContact O-N 3.06Å; I99-L102 PolarHBondContact O-N 3.17Å; I99-L102 VanDerWaalsContact O-N 3.09Å; L102-L105 CarbonylContact O-C 3.42Å; L102-L105 WeakPolarHBondContact O-CA 3.37Å; L102-L105 PolarHBondContact O-N 2.66Å; L102-L105 VanDerWaalsContact O-N 3.11Å; L102-G106 PolarHBondContact O-N 3.25Å; L102-L107 HydrophobicContact CB-CB 4.35Å; L102-L107 HydrophobicContact CD2-CB 4.1Å; L102-L107 HydrophobicContact CD2-CD1 3.8Å; L102-L107 PolarHBondContact O-N 2.98Å; L102-Y109 HydrophobicContact CB-CD1 3.75Å; L102-Y109 HydrophobicContact CB-CE1 4.06Å; L102-Y109 HydrophobicContact CD1-CD1 3.79Å; L102-Y109 HydrophobicContact CD1-CG 4.03Å; L102-Y109 HydrophobicContact CG-CD1 4.43Å; L102-V217 HydrophobicContact CD2-CG1 4.19Å
103D85.8Confident88.4Confident91 Ų9149.7 Ų49.749%0.48725%0.254SS..Hα-helixtrans-60.7-47175.6-74.3-17.1000111.3I99 L105 G106 Y109I99-D103 VanDerWaalsContact CG2-OD2 3.23Å; I99-D103 WeakPolarHBondContact CG2-OD2 3.38Å; I99-D103 WeakPolarHBondContact O-CB 3.3Å; I99-D103 PolarHBondContact O-N 2.9Å; D103-L105 PolarHBondContact O-N 2.98Å; D103-L105 VanDerWaalsContact O-N 3.17Å; D103-G106 PolarHBondContact O-N 3.03Å; D103-Y109 WeakPolarHBondContact OD1-CE1 3.15Å; D103-Y109 PolarHBondContact OD1-OH 2.94Å
104R83.3Confident87.8Confident184 Ų18452.2 Ų52.269%0.69427%0.27SS*.Hα-helixtrans-58.2-30.1176.1-178.8179.365.3106.33.9112.4P100P100-R104 WeakPolarHBondContact O-CB 3.46Å; P100-R104 PolarHBondContact O-N 2.87Å
105L77.1Confident86.8Confident48 Ų4859.5 Ų59.525%0.25131%0.309SS..THydrogen-bonded Turntrans-92.3-3.2-179.7-71.3-178.2000113.1I101 L102 D103 L107 V221 F230I101-L105 HydrophobicContact CG2-CD1 3.86Å; I101-L105 WeakPolarHBondContact O-CB 3.49Å; I101-L105 WeakPolarHBondContact O-CG 3.34Å; I101-L105 PolarHBondContact O-N 3.41Å; I101-L105 VanDerWaalsContact O-N 3.16Å; L102-L105 CarbonylContact O-C 3.42Å; L102-L105 WeakPolarHBondContact O-CA 3.37Å; L102-L105 PolarHBondContact O-N 2.66Å; L102-L105 VanDerWaalsContact O-N 3.11Å; D103-L105 PolarHBondContact O-N 2.98Å; D103-L105 VanDerWaalsContact O-N 3.17Å; L105-L107 HydrophobicContact CB-CD1 4.19Å; L105-L107 HydrophobicContact CB-CG 4.09Å; L105-L107 HydrophobicContact CD1-CD1 4.38Å; L105-L107 PolarHBondContact O-N 2.97Å; L105-V221 HydrophobicContact CD1-CG1 4.08Å; L105-V221 HydrophobicContact CD1-CG2 4.18Å; L105-F230 HydrophobicContact CB-CE1 3.61Å; L105-F230 HydrophobicContact CB-CZ 3.97Å; L105-F230 HydrophobicContact CD1-CE1 4.02Å; L105-F230 HydrophobicContact CD1-CZ 3.94Å; L105-F230 HydrophobicContact CD2-CD1 4.14Å; L105-F230 HydrophobicContact CD2-CE1 3.5Å; L105-F230 HydrophobicContact CD2-CZ 4.26Å; L105-F230 HydrophobicContact CG-CE1 3.86Å; L105-F230 HydrophobicContact CG-CZ 4.25Å
106G75.2Confident85.9Confident57 Ų5760 Ų6059%0.58832%0.318SS*.THydrogen-bonded Turntrans64.826.1-177.100000113.8L102 D103L102-G106 PolarHBondContact O-N 3.25Å; D103-G106 PolarHBondContact O-N 3.03Å
107L81.1Confident85Confident8 Ų861.5 Ų61.54%0.04232%0.318CS..  trans-92.8138.5179-66.7177.1000110.9D81 F82 L102 L105 Y109 V221 L226 F230D81-L107 HydrophobicContact CB-CB 4.2Å; D81-L107 HydrophobicContact CB-CD2 4.19Å; D81-L107 WeakPolarHBondContact OD2-CA 3.47Å; F82-L107 HydrophobicContact CD2-CD1 4.46Å; F82-L107 HydrophobicContact CE2-CD1 3.88Å; L102-L107 HydrophobicContact CB-CB 4.35Å; L102-L107 HydrophobicContact CD2-CB 4.1Å; L102-L107 HydrophobicContact CD2-CD1 3.8Å; L102-L107 PolarHBondContact O-N 2.98Å; L105-L107 HydrophobicContact CB-CD1 4.19Å; L105-L107 HydrophobicContact CB-CG 4.09Å; L105-L107 HydrophobicContact CD1-CD1 4.38Å; L105-L107 PolarHBondContact O-N 2.97Å; L107-Y109 WeakPolarHBondContact O-CD1 3.25Å; L107-V221 HydrophobicContact CD1-CG2 3.82Å; L107-L226 HydrophobicContact CD1-CD1 4.47Å; L107-L226 HydrophobicContact CD2-CB 4.5Å; L107-L226 HydrophobicContact CD2-CD1 4.46Å; L107-L226 HydrophobicContact CD2-CD2 4.49Å; L107-F230 HydrophobicContact CD1-CE2 4.46Å; L107-F230 HydrophobicContact CD1-CZ 3.74Å; L107-F230 HydrophobicContact CD2-CZ 4.08Å; L107-F230 HydrophobicContact CG-CZ 3.99Å
108T84.6Confident83.9Confident63 Ų6361.5 Ų61.539%0.38732%0.32SS..  trans-82146.417859.10000111.6Y80 D81 F82Y80-T108 WeakPolarHBondContact CA-OG1 3.14Å; D81-T108 WeakPolarHBondContact CA-O 3.48Å; D81-T108 VanDerWaalsContact CB-O 3.25Å; D81-T108 WeakPolarHBondContact CB-O 3.35Å; D81-T108 PolarHBondContact N-O 3.42Å; D81-T108 PolarHBondContact N-OG1 3.01Å; D81-T108 PolarHBondContact OD2-N 3.27Å; D81-T108 PolarHBondContact OD2-OG1 3.16Å; F82-T108 PolarHBondContact N-O 3.25Å; F82-T108 VanDerWaalsContact N-O 3.12Å
109Y90.6Very high82.7Confident60 Ų6065.8 Ų65.824%0.23535%0.348CS..EExtended strand (participates in β ladder)trans-148153.7178.352-91.4000112.2Y80 F82 L84 I99 L102 D103 L107 N111Y80-Y109 VanDerWaalsContact CD1-O 3.29Å; Y80-Y109 WeakPolarHBondContact CD1-O 3.45Å; Y80-Y109 WeakPolarHBondContact CE1-O 3.32Å; F82-Y109 CarbonylContact O-C 3.56Å; F82-Y109 WeakPolarHBondContact O-CA 3.22Å; L84-Y109 HydrophobicContact CD1-CD2 3.9Å; L84-Y109 HydrophobicContact CD1-CG 4.22Å; I99-Y109 HydrophobicContact CD1-CE2 4.01Å; I99-Y109 HydrophobicContact CG1-CD2 4.25Å; I99-Y109 HydrophobicContact CG1-CE2 3.73Å; I99-Y109 HydrophobicContact CG2-CE1 4.41Å; I99-Y109 HydrophobicContact CG2-CE2 4.39Å; I99-Y109 VanDerWaalsContact CG2-OH 3.27Å; I99-Y109 WeakPolarHBondContact CG2-OH 3.34Å; L102-Y109 HydrophobicContact CB-CD1 3.75Å; L102-Y109 HydrophobicContact CB-CE1 4.06Å; L102-Y109 HydrophobicContact CD1-CD1 3.79Å; L102-Y109 HydrophobicContact CD1-CG 4.03Å; L102-Y109 HydrophobicContact CG-CD1 4.43Å; D103-Y109 WeakPolarHBondContact OD1-CE1 3.15Å; D103-Y109 PolarHBondContact OD1-OH 2.94Å; L107-Y109 WeakPolarHBondContact O-CD1 3.25Å; Y109-N111 HydrophobicContact CD2-CB 4.49Å
110Y92.2Very high81.7Confident32 Ų3272.2 Ų72.213%0.12538%0.378CS..EExtended strand (participates in β ladder)trans-102.7121.1165.5-174.1-93000109.7Y80 F82 F83 L84 P112 E125 A128Y80-Y110 AromaticContact CE2-CD2 3.79Å; Y80-Y110 HydrophobicContact CE2-CD2 3.79Å; Y80-Y110 HydrophobicContact CE2-CG 4.19Å; Y80-Y110 AromaticContact CZ-CD2 3.77Å; F82-Y110 PolarHBondContact O-N 2.85Å; F83-Y110 AromaticContact CD2-CD1 3.66Å; F83-Y110 HydrophobicContact CD2-CD1 3.66Å; F83-Y110 HydrophobicContact CD2-CG 4.32Å; F83-Y110 AromaticContact CE2-CD1 3.47Å; F83-Y110 HydrophobicContact CE2-CD1 3.47Å; F83-Y110 VanDerWaalsContact CE2-CD1 3.47Å; F83-Y110 AromaticContact CE2-CE1 3.9Å; F83-Y110 HydrophobicContact CE2-CE1 3.9Å; F83-Y110 HydrophobicContact CE2-CG 4.5Å; L84-Y110 PolarHBondContact N-O 3.35Å; Y110-P112 HydrophobicContact CD1-CB 4.42Å; Y110-P112 HydrophobicContact CE1-CB 3.93Å; Y110-E125 HydrophobicContact CE1-CB 4.12Å; Y110-E125 HydrophobicContact CE1-CG 3.95Å; Y110-E125 PolarHBondContact OH-N 3.31Å; Y110-A128 HydrophobicContact CD1-CB 3.69Å; Y110-A128 HydrophobicContact CD2-CB 3.55Å; Y110-A128 HydrophobicContact CE1-CB 4.07Å; Y110-A128 HydrophobicContact CE2-CB 3.95Å; Y110-A128 HydrophobicContact CG-CB 3.39Å
111N92.6Very high81Confident40 Ų4071.1 Ų71.121%0.21437%0.368CS..  trans-103.1108.3173.1176.716.4000109.8L84 R94 Y109 Q113L84-N111 HydrophobicContact CD1-CB 4.36Å; R94-N111 WeakPolarHBondContact CD-OD1 3.47Å; R94-N111 PolarHBondContact NE-OD1 3.49Å; Y109-N111 HydrophobicContact CD2-CB 4.49Å; N111-Q113 PolarHBondContact ND2-O 3.38Å; N111-Q113 PolarHBondContact O-N 2.9Å; N111-Q113 WeakPolarHBondContact OD1-CB 3.38Å; N111-Q113 PolarHBondContact OD1-N 3.4Å
112P89.3Confident80.4Confident16 Ų1673.6 Ų73.610%0.10438%0.38CS..  trans-71.5-14.7177.828.9-34000113.9F83 L84 Y110 V114 E125F83-P112 HydrophobicContact CE2-CG 4.49Å; F83-P112 HydrophobicContact CZ-CB 4.39Å; F83-P112 HydrophobicContact CZ-CG 4.09Å; L84-P112 WeakPolarHBondContact O-CD 3.49Å; L84-P112 VanDerWaalsContact O-CG 3.23Å; L84-P112 WeakPolarHBondContact O-CG 3.2Å; Y110-P112 HydrophobicContact CD1-CB 4.42Å; Y110-P112 HydrophobicContact CE1-CB 3.93Å; P112-V114 PolarHBondContact O-N 3.48Å; P112-V114 VanDerWaalsContact O-N 3.12Å; P112-E125 HydrophobicContact CB-CG 4.21Å
113Q84.1Confident79.9Confident31 Ų3179 Ų7915%0.14541%0.405CS..  trans-76.9102.7179.5-175.9170.6-1.100110.2C88 N89 T91 N111C88-Q113 HydrophobicContact CB-CB 4.15Å; C88-Q113 HydrophobicContact CB-CG 3.87Å; C88-Q113 PolarHBondContact O-NE2 2.95Å; N89-Q113 PolarHBondContact OD1-NE2 3.26Å; T91-Q113 PolarHBondContact O-NE2 2.89Å; N111-Q113 PolarHBondContact ND2-O 3.38Å; N111-Q113 PolarHBondContact O-N 2.9Å; N111-Q113 WeakPolarHBondContact OD1-CB 3.38Å; N111-Q113 PolarHBondContact OD1-N 3.4Å
114V79.5Confident79.8Confident56 Ų5679.1 Ų79.134%0.33941%0.406SS..  trans-112.9157.6174.3-62.40000110.7P112 D116 L121P112-V114 PolarHBondContact O-N 3.48Å; P112-V114 VanDerWaalsContact O-N 3.12Å; V114-D116 WeakPolarHBondContact CG2-O 3.36Å; V114-L121 HydrophobicContact CB-CD1 4.48Å; V114-L121 HydrophobicContact CG1-CD1 4.41Å; V114-L121 HydrophobicContact CG2-CD1 3.55Å
115D73.9Confident79.9Confident155 Ų15572.2 Ų72.283%0.82938%0.382SS*.SBendtrans-74.4-44.3176.2-62.4-36.6000111.2
116D73.5Confident80.3Confident146 Ų14673.6 Ų73.678%0.78138%0.383SS*.SBendtrans-107.2108.2177.7-64.9-49.2000111.1V114V114-D116 WeakPolarHBondContact CG2-O 3.36Å
117W73.6Confident80.8Confident161 Ų16175.3 Ų75.361%0.6137%0.374SS*.  trans-84.6136.1176.6-17691.9000111.8P119 M122W117-P119 HydrophobicContact CH2-CB 4.33Å; W117-P119 HydrophobicContact CH2-CG 4.02Å; W117-P119 HydrophobicContact CZ3-CG 3.94Å; W117-M122 HydrophobicContact CH2-CG 4.48Å; W117-M122 HydrophobicContact CH2-SD 4.03Å; W117-M122 HydrophobicContact CZ2-CG 3.63Å; W117-M122 HydrophobicContact CZ2-SD 3.64Å
118S70.8Confident81.2Confident41 Ų4175 Ų7529%0.28737%0.374SS..  trans-134.6156.1169.176.50000111.4E120 L121S118-E120 PolarHBondContact O-N 3.28Å; S118-L121 VanDerWaalsContact O-CB 3.3Å; S118-L121 WeakPolarHBondContact O-CB 3.4Å; S118-L121 PolarHBondContact O-N 3.01Å
119P69.7Low81.4Confident91 Ų9173.4 Ų73.459%0.59136%0.361SS*.THydrogen-bonded Turntrans-57.7-30.5178.4-26.735.4000114.4W117 L121 M122W117-P119 HydrophobicContact CH2-CB 4.33Å; W117-P119 HydrophobicContact CH2-CG 4.02Å; W117-P119 HydrophobicContact CZ3-CG 3.94Å; P119-L121 PolarHBondContact O-N 2.69Å; P119-M122 VanDerWaalsContact O-CB 3.29Å; P119-M122 WeakPolarHBondContact O-CB 3.33Å; P119-M122 WeakPolarHBondContact O-CG 3.39Å; P119-M122 PolarHBondContact O-N 2.84Å
120E72.7Confident81.2Confident158 Ų15874.5 Ų74.574%0.73838%0.377SS*.Hα-helixtrans-61.4-28.7177.3-64.3174-176.100112.3S118 M122 E123 L124S118-E120 PolarHBondContact O-N 3.28Å; E120-M122 PolarHBondContact O-N 2.99Å; E120-E123 PolarHBondContact O-N 3.49Å; E120-L124 PolarHBondContact O-N 3.45Å
121L76.2Confident80.8Confident38 Ų3874.5 Ų74.520%0.19938%0.381CS..Hα-helixtrans-68-23176.3-58.4180000112.6V114 S118 P119 E123 L124 E125V114-L121 HydrophobicContact CB-CD1 4.48Å; V114-L121 HydrophobicContact CG1-CD1 4.41Å; V114-L121 HydrophobicContact CG2-CD1 3.55Å; S118-L121 VanDerWaalsContact O-CB 3.3Å; S118-L121 WeakPolarHBondContact O-CB 3.4Å; S118-L121 PolarHBondContact O-N 3.01Å; P119-L121 PolarHBondContact O-N 2.69Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 3.44Å; L121-L124 HydrophobicContact CD2-CD1 4.11Å; L121-L124 PolarHBondContact O-N 3.29Å; L121-E125 VanDerWaalsContact O-CB 3.28Å; L121-E125 WeakPolarHBondContact O-CB 3Å; L121-E125 PolarHBondContact O-N 2.65Å
122M74.8Confident80.7Confident69 Ų6973.1 Ų73.134%0.3437%0.374SS..Hα-helixtrans-63.4-41.8176.8-63.5177.765.200111.2W117 P119 E120 E125 R126W117-M122 HydrophobicContact CH2-CG 4.48Å; W117-M122 HydrophobicContact CH2-SD 4.03Å; W117-M122 HydrophobicContact CZ2-CG 3.63Å; W117-M122 HydrophobicContact CZ2-SD 3.64Å; P119-M122 VanDerWaalsContact O-CB 3.29Å; P119-M122 WeakPolarHBondContact O-CB 3.33Å; P119-M122 WeakPolarHBondContact O-CG 3.39Å; P119-M122 PolarHBondContact O-N 2.84Å; E120-M122 PolarHBondContact O-N 2.99Å; M122-E125 PolarHBondContact O-N 3.47Å; M122-R126 WeakPolarHBondContact O-CB 3.47Å; M122-R126 PolarHBondContact O-N 2.8Å
123E77.8Confident80.5Confident113 Ų11374.3 Ų74.353%0.52838%0.38SS..Hα-helixtrans-68.3-41.6177.6-170.760.3-119.700111.7E120 L121 E125 R126 K127E120-E123 PolarHBondContact O-N 3.49Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 3.44Å; E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 2.98Å; E123-R126 PolarHBondContact O-N 3.19Å; E123-R126 IonicContact OE1-NH1 3.18Å; E123-R126 PolarHBondContact OE1-NH1 2.62Å; E123-R126 VanDerWaalsContact OE1-NH1 3.08Å; E123-R126 IonicContact OE2-CZ 3.05Å; E123-R126 IonicContact OE2-NH1 3.53Å; E123-R126 PolarHBondContact OE2-NH1 2.82Å; E123-K127 WeakPolarHBondContact O-CB 3.38Å; E123-K127 PolarHBondContact O-N 3.08Å
124L82.7Confident80.9Confident94 Ų9473.3 Ų73.349%0.49238%0.375SS..Hα-helixtrans-62.5-42.8175.6-66.2177.6000111.7E120 L121 K127 A128E120-L124 PolarHBondContact O-N 3.45Å; L121-L124 HydrophobicContact CD2-CD1 4.11Å; L121-L124 PolarHBondContact O-N 3.29Å; L124-K127 PolarHBondContact O-N 2.86Å; L124-A128 VanDerWaalsContact O-CB 3.31Å; L124-A128 WeakPolarHBondContact O-CB 3.29Å; L124-A128 PolarHBondContact O-N 2.98Å
125E86.9Confident81.8Confident40 Ų4070.7 Ų70.719%0.18736%0.359CS..Hα-helixtrans-63.9-43.3176-168.8-168.2128.400111.3F83 Y110 P112 L121 M122 E123 A128 K129F83-E125 HydrophobicContact CE2-CG 3.61Å; F83-E125 HydrophobicContact CZ-CG 3.65Å; Y110-E125 HydrophobicContact CE1-CB 4.12Å; Y110-E125 HydrophobicContact CE1-CG 3.95Å; Y110-E125 PolarHBondContact OH-N 3.31Å; P112-E125 HydrophobicContact CB-CG 4.21Å; L121-E125 VanDerWaalsContact O-CB 3.28Å; L121-E125 WeakPolarHBondContact O-CB 3Å; L121-E125 PolarHBondContact O-N 2.65Å; M122-E125 PolarHBondContact O-N 3.47Å; E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 2.98Å; E125-A128 PolarHBondContact O-N 3.44Å; E125-K129 WeakPolarHBondContact O-CE 3.45Å; E125-K129 WeakPolarHBondContact O-CG 3.37Å; E125-K129 PolarHBondContact O-N 3.06Å; E125-K129 IonicContact OE1-NZ 2.88Å; E125-K129 PolarHBondContact OE1-NZ 2.82Å
126R85Confident82.9Confident76 Ų7663.3 Ų63.329%0.28732%0.32SS..Hα-helixtrans-60.5-47.6175.7-169.7-170.9-6293.4-2.8111.1M122 E123 A128 K129 S130 E672M122-R126 WeakPolarHBondContact O-CB 3.47Å; M122-R126 PolarHBondContact O-N 2.8Å; E123-R126 PolarHBondContact O-N 3.19Å; E123-R126 IonicContact OE1-NH1 3.18Å; E123-R126 PolarHBondContact OE1-NH1 2.62Å; E123-R126 VanDerWaalsContact OE1-NH1 3.08Å; E123-R126 IonicContact OE2-CZ 3.05Å; E123-R126 IonicContact OE2-NH1 3.53Å; E123-R126 PolarHBondContact OE2-NH1 2.82Å; R126-A128 VanDerWaalsContact C-N 3.35Å; R126-A128 PolarHBondContact O-N 2.84Å; R126-K129 PolarHBondContact O-N 3.05Å; R126-S130 PolarHBondContact O-N 3.3Å; R126-E672 IonicContact CZ-OE2 2.66Å; R126-E672 IonicContact NE-OE1 2.76Å; R126-E672 PolarHBondContact NE-OE1 3.11Å; R126-E672 IonicContact NE-OE2 3.95Å; R126-E672 PolarHBondContact NE-OE2 3.16Å; R126-E672 IonicContact NH2-OE2 2.69Å; R126-E672 PolarHBondContact NH2-OE2 3.36Å
127K85Confident84Confident93 Ų9356.3 Ų56.340%0.40428%0.283SS..Hα-helixtrans-57.5-50.8176-173.1-179.4178-168.90109.8N78 E123 L124 K129 S130 V131N78-K127 PolarHBondContact ND2-NZ 2.97Å; N78-K127 PolarHBondContact OD1-NZ 2.95Å; E123-K127 WeakPolarHBondContact O-CB 3.38Å; E123-K127 PolarHBondContact O-N 3.08Å; L124-K127 PolarHBondContact O-N 2.86Å; K127-K129 PolarHBondContact O-N 3.44Å; K127-S130 PolarHBondContact O-N 3.2Å; K127-S130 PolarHBondContact O-OG 3.49Å; K127-V131 WeakPolarHBondContact O-CG2 3.29Å; K127-V131 PolarHBondContact O-N 2.91Å
128A88.7Confident85Confident3 Ų348.7 Ų48.73%0.02525%0.254CS..Hα-helixtrans-55.6-46.5177.700000112.3Y80 F83 Y110 L124 E125 R126 S130 V131 S132Y80-A128 HydrophobicContact CD2-CB 4.1Å; Y80-A128 HydrophobicContact CE2-CB 3.89Å; F83-A128 HydrophobicContact CD2-CB 4.24Å; F83-A128 HydrophobicContact CE2-CB 4.48Å; Y110-A128 HydrophobicContact CD1-CB 3.69Å; Y110-A128 HydrophobicContact CD2-CB 3.55Å; Y110-A128 HydrophobicContact CE1-CB 4.07Å; Y110-A128 HydrophobicContact CE2-CB 3.95Å; Y110-A128 HydrophobicContact CG-CB 3.39Å; L124-A128 VanDerWaalsContact O-CB 3.31Å; L124-A128 WeakPolarHBondContact O-CB 3.29Å; L124-A128 PolarHBondContact O-N 2.98Å; E125-A128 PolarHBondContact O-N 3.44Å; R126-A128 VanDerWaalsContact C-N 3.35Å; R126-A128 PolarHBondContact O-N 2.84Å; A128-S130 VanDerWaalsContact C-N 3.28Å; A128-S130 PolarHBondContact O-N 3.16Å; A128-V131 VanDerWaalsContact O-CG2 3.29Å; A128-V131 WeakPolarHBondContact O-CG2 3.25Å; A128-V131 PolarHBondContact O-N 3.46Å; A128-S132 WeakPolarHBondContact O-CB 3.45Å; A128-S132 PolarHBondContact O-N 3.33Å; A128-S132 PolarHBondContact O-OG 3.23Å
129K90.7Very high86Confident29 Ų2947 Ų4713%0.12624%0.241CC..Hα-helixtrans-58.3-37.8174.6-74.5177.5-67.8-152.60113F83 E125 R126 K127 V131 E152F83-K129 HydrophobicContact CD1-CG 3.89Å; F83-K129 HydrophobicContact CD2-CG 3.6Å; F83-K129 HydrophobicContact CE1-CD 3.87Å; F83-K129 HydrophobicContact CE1-CG 3.66Å; F83-K129 HydrophobicContact CE2-CD 4.08Å; F83-K129 HydrophobicContact CE2-CG 3.37Å; F83-K129 HydrophobicContact CG-CG 3.86Å; F83-K129 HydrophobicContact CZ-CD 3.63Å; F83-K129 HydrophobicContact CZ-CG 3.4Å; F83-K129 VanDerWaalsContact CZ-CG 3.4Å; E125-K129 WeakPolarHBondContact O-CE 3.45Å; E125-K129 WeakPolarHBondContact O-CG 3.37Å; E125-K129 PolarHBondContact O-N 3.06Å; E125-K129 IonicContact OE1-NZ 2.88Å; E125-K129 PolarHBondContact OE1-NZ 2.82Å; R126-K129 PolarHBondContact O-N 3.05Å; K127-K129 PolarHBondContact O-N 3.44Å; K129-V131 VanDerWaalsContact C-N 3.33Å; K129-E152 WeakPolarHBondContact CD-OE1 3.5Å; K129-E152 WeakPolarHBondContact CE-OE1 3.39Å; K129-E152 IonicContact NZ-OE1 3.28Å; K129-E152 PolarHBondContact NZ-OE1 3.38Å
130S85.8Confident86.7Confident82 Ų8243.4 Ų43.457%0.57322%0.216SC*.Hα-helixtrans-74.2-24.2-17876.70000114R126 K127 A128R126-S130 PolarHBondContact O-N 3.3Å; K127-S130 PolarHBondContact O-N 3.2Å; K127-S130 PolarHBondContact O-OG 3.49Å; A128-S130 VanDerWaalsContact C-N 3.28Å; A128-S130 PolarHBondContact O-N 3.16Å
131V84.3Confident86.6Confident32 Ų3238.2 Ų38.219%0.19419%0.194CC..Hα-helixtrans-108.6-9.6-173.6-61.20000113.4N78 R79 Y80 K127 A128 K129N78-V131 WeakPolarHBondContact O-CG2 3.32Å; R79-V131 HydrophobicContact CG-CB 4.34Å; R79-V131 WeakPolarHBondContact CG-O 3.33Å; Y80-V131 HydrophobicContact CD2-CG2 4.32Å; K127-V131 WeakPolarHBondContact O-CG2 3.29Å; K127-V131 PolarHBondContact O-N 2.91Å; A128-V131 VanDerWaalsContact O-CG2 3.29Å; A128-V131 WeakPolarHBondContact O-CG2 3.25Å; A128-V131 PolarHBondContact O-N 3.46Å; K129-V131 VanDerWaalsContact C-N 3.33Å
132S89.1Confident86.1Confident11 Ų1139.1 Ų39.18%0.07720%0.195CC..  trans-73.3138.4175.6-69.70000112.5Y80 A128Y80-S132 WeakPolarHBondContact CB-OG 3.39Å; Y80-S132 CarbonylContact O-C 3.49Å; Y80-S132 WeakPolarHBondContact O-CA 3.47Å; A128-S132 WeakPolarHBondContact O-CB 3.45Å; A128-S132 PolarHBondContact O-N 3.33Å; A128-S132 PolarHBondContact O-OG 3.23Å
133D85.7Confident85.7Confident42 Ų4238.6 Ų38.623%0.22519%0.189CC..SBendtrans-71.6-33.4178.4-70.3-40.5000112.3Y80 P162 H225Y80-D133 PolarHBondContact O-N 3.38Å; D133-P162 WeakPolarHBondContact O-CB 3.46Å; D133-P162 WeakPolarHBondContact O-CG 3.19Å; D133-H225 VanDerWaalsContact CG-CE1 3.41Å; D133-H225 IonicContact OD1-CE1 3.38Å; D133-H225 IonicContact OD2-CE1 3.23Å; D133-H225 IonicContact OD2-NE2 3.83Å; D133-H225 PolarHBondContact OD2-NE2 3.19Å
134I93.4Very high85.6Confident9 Ų933.9 Ų33.95%0.04617%0.168CC..EExtended strand (participates in β ladder)trans-133135.5178.6-56.2179.2000109.7D81 F82 F83 V164 A220 L226D81-I134 PolarHBondContact O-N 3.18Å; D81-I134 VanDerWaalsContact O-N 3.09Å; F82-I134 CarbonylContact C-O 3.4Å; F82-I134 WeakPolarHBondContact CA-O 3.45Å; F82-I134 HydrophobicContact CD1-CB 4.17Å; F82-I134 HydrophobicContact CD1-CG2 4.12Å; F82-I134 HydrophobicContact CE1-CB 4.21Å; F82-I134 HydrophobicContact CE1-CD1 4.07Å; F82-I134 HydrophobicContact CE1-CG2 3.96Å; F82-I134 HydrophobicContact CE2-CD1 4.1Å; F82-I134 HydrophobicContact CZ-CD1 3.7Å; F83-I134 PolarHBondContact N-O 3.21Å; I134-V164 HydrophobicContact CG2-CB 4.45Å; I134-V164 HydrophobicContact CG2-CG2 4.02Å; I134-A220 HydrophobicContact CD1-CB 3.9Å; I134-A220 WeakPolarHBondContact CD1-O 3.12Å; I134-A220 HydrophobicContact CG2-CB 4.15Å; I134-L226 HydrophobicContact CD1-CD1 3.76Å; I134-L226 HydrophobicContact CG1-CD1 4.48Å
135L96.7Very high85.7Confident1 Ų130.2 Ų30.21%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-103.9102171.7-50.7-176.1000108.6F83 F137 L156 K161 P162 L163 V164F83-L135 HydrophobicContact CB-CD2 3.54Å; F83-L135 HydrophobicContact CD1-CD2 4.4Å; F83-L135 HydrophobicContact CG-CD2 4.16Å; L135-F137 HydrophobicContact CB-CD2 4.48Å; L135-F137 HydrophobicContact CB-CE2 4.37Å; L135-L156 HydrophobicContact CD1-CD1 3.97Å; L135-L156 HydrophobicContact CD1-CD2 3.99Å; L135-L156 HydrophobicContact CD1-CG 4.43Å; L135-K161 HydrophobicContact CD1-CB 3.78Å; L135-K161 HydrophobicContact CD1-CG 4.33Å; L135-P162 PolarHBondContact N-O 3.3Å; L135-L163 HydrophobicContact CB-CD1 3.96Å; L135-L163 WeakPolarHBondContact O-CA 3.47Å; L135-L163 WeakPolarHBondContact O-CD1 3.24Å; L135-V164 PolarHBondContact O-N 2.82Å
136L97.5Very high85.7Confident0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-91.4117.5175.9176.666000109.1F82 F83 L84 G85 W93 V138 V164 A216 V217F82-L136 HydrophobicContact CD1-CB 4.2Å; F83-L136 PolarHBondContact O-N 3.25Å; L84-L136 CarbonylContact C-O 3.53Å; L84-L136 HydrophobicContact CD2-CD2 4.14Å; G85-L136 WeakPolarHBondContact CA-O 3.29Å; G85-L136 PolarHBondContact N-O 3Å; W93-L136 HydrophobicContact CZ3-CD2 4.16Å; L136-V138 HydrophobicContact CG-CG2 4.26Å; L136-V164 WeakPolarHBondContact CA-O 3.19Å; L136-V164 HydrophobicContact CD1-CB 4.3Å; L136-V164 HydrophobicContact CD1-CG1 4.07Å; L136-A216 HydrophobicContact CD1-CB 4.07Å; L136-V217 HydrophobicContact CD2-CG2 3.65Å
137F97.1Very high86Confident0 Ų025.7 Ų25.70%013%0.133CC..EExtended strand (participates in β ladder)trans-113126.8173.7-86.4-113.2000110.9F83 G85 L135 F139 E152 A153 L156 L163 V164 L165 C166F83-F137 AromaticContact CD1-CE2 3.98Å; F83-F137 HydrophobicContact CD1-CE2 3.98Å; F83-F137 HydrophobicContact CD1-CZ 4.48Å; F83-F137 AromaticContact CE1-CE2 3.94Å; F83-F137 HydrophobicContact CE1-CE2 3.94Å; F83-F137 AromaticContact CE1-CZ 3.98Å; F83-F137 HydrophobicContact CE1-CZ 3.98Å; G85-F137 WeakPolarHBondContact O-CA 3.42Å; L135-F137 HydrophobicContact CB-CD2 4.48Å; L135-F137 HydrophobicContact CB-CE2 4.37Å; F137-F139 HydrophobicContact CB-CE2 4.02Å; F137-F139 HydrophobicContact CD1-CZ 4.35Å; F137-E152 HydrophobicContact CE1-CB 4.37Å; F137-E152 HydrophobicContact CE1-CG 3.97Å; F137-E152 WeakPolarHBondContact CE1-OE2 3.42Å; F137-E152 HydrophobicContact CZ-CG 3.83Å; F137-A153 HydrophobicContact CD1-CB 3.94Å; F137-A153 HydrophobicContact CE1-CB 4.33Å; F137-A153 HydrophobicContact CG-CB 4.32Å; F137-L156 HydrophobicContact CE2-CD1 3.58Å; F137-L156 HydrophobicContact CZ-CD1 3.6Å; F137-L163 HydrophobicContact CB-CD1 4.42Å; F137-L163 HydrophobicContact CD2-CD1 3.57Å; F137-L163 HydrophobicContact CE2-CD1 4.15Å; F137-L163 HydrophobicContact CG-CD1 4.22Å; F137-V164 PolarHBondContact N-O 3.19Å; F137-L165 HydrophobicContact CB-CD2 3.56Å; F137-L165 CarbonylContact O-C 3.5Å; F137-L165 WeakPolarHBondContact O-CA 3.37Å; F137-C166 PolarHBondContact O-N 3.4Å
138V94.9Very high86.3Confident1 Ų123 Ų231%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-115.1131.3177.9-175.60000110.9G85 G86 W93 L136 C166 V213G85-V138 PolarHBondContact O-N 2.9Å; G85-V138 VanDerWaalsContact O-N 3.14Å; G86-V138 WeakPolarHBondContact CA-O 3.44Å; W93-V138 HydrophobicContact CD2-CB 3.78Å; W93-V138 HydrophobicContact CD2-CG1 3.98Å; W93-V138 HydrophobicContact CD2-CG2 3.67Å; W93-V138 VanDerWaalsContact CE2-CB 3.44Å; W93-V138 HydrophobicContact CE3-CB 4.23Å; W93-V138 HydrophobicContact CE3-CG2 3.58Å; W93-V138 HydrophobicContact CG-CB 4.27Å; W93-V138 HydrophobicContact CG-CG1 3.94Å; W93-V138 HydrophobicContact CG-CG2 4.45Å; W93-V138 HydrophobicContact CH2-CB 4.03Å; W93-V138 HydrophobicContact CH2-CG2 3.55Å; W93-V138 HydrophobicContact CZ2-CB 3.58Å; W93-V138 HydrophobicContact CZ2-CG2 3.67Å; W93-V138 HydrophobicContact CZ3-CB 4.34Å; W93-V138 HydrophobicContact CZ3-CG2 3.52Å; L136-V138 HydrophobicContact CG-CG2 4.26Å; V138-C166 CarbonylContact C-O 3.28Å; V138-C166 WeakPolarHBondContact CA-O 3.29Å; V138-C166 HydrophobicContact CB-CB 4.39Å; V138-C166 HydrophobicContact CG1-CB 4.17Å; V138-C166 HydrophobicContact CG2-CB 4.01Å; V138-V213 HydrophobicContact CG1-CG2 3.7Å; V138-V213 HydrophobicContact CG2-CG1 4.36Å; V138-V213 HydrophobicContact CG2-CG2 4.23Å
139F91.9Very high86.5Confident4 Ų423.5 Ų23.52%0.01813%0.127CC..EExtended strand (participates in β ladder)trans-115.9112179.3-67.3-83.3000110.2F137 L150 A153 L165 C166 I167 S168 M195 F198F137-F139 HydrophobicContact CB-CE2 4.02Å; F137-F139 HydrophobicContact CD1-CZ 4.35Å; F139-L150 HydrophobicContact CE1-CB 4.05Å; F139-L150 HydrophobicContact CE1-CD1 4.28Å; F139-L150 HydrophobicContact CZ-CD1 4.44Å; F139-A153 HydrophobicContact CE2-CB 4.22Å; F139-A153 HydrophobicContact CZ-CB 3.82Å; F139-L165 HydrophobicContact CE2-CD2 4.23Å; F139-C166 PolarHBondContact N-O 2.92Å; F139-I167 HydrophobicContact CB-CG1 4.32Å; F139-I167 HydrophobicContact CD2-CG1 4.2Å; F139-S168 PolarHBondContact O-N 2.83Å; F139-M195 HydrophobicContact CD1-CE 4.32Å; F139-F198 AromaticContact CE2-CE1 3.96Å; F139-F198 HydrophobicContact CE2-CE1 3.96Å; F139-F198 HydrophobicContact CE2-CZ 4.24Å; F139-F198 HydrophobicContact CZ-CE1 4.38Å; F139-F198 HydrophobicContact CZ-CZ 4.47Å
140E83.5Confident86.7Confident16 Ų1622.5 Ų22.58%0.07512%0.123CC..  trans-104.173.1169-63.9-172.6149.900108.9T91 W142 R143 T144T91-E140 WeakPolarHBondContact CA-OE2 3.43Å; T91-E140 VanDerWaalsContact CB-OE2 3.23Å; T91-E140 WeakPolarHBondContact CB-OE2 3.28Å; T91-E140 HydrophobicContact CG2-CB 4.29Å; T91-E140 HydrophobicContact CG2-CG 4.45Å; T91-E140 WeakPolarHBondContact CG2-OE2 3.33Å; E140-W142 PolarHBondContact O-N 3.28Å; E140-R143 HydrophobicContact CB-CB 4.34Å; E140-R143 HydrophobicContact CB-CG 4.42Å; E140-R143 PolarHBondContact O-N 3.14Å; E140-R143 IonicContact OE1-NH1 2.63Å; E140-R143 WeakPolarHBondContact OE2-CD 3.47Å; E140-R143 IonicContact OE2-CZ 2.58Å; E140-R143 IonicContact OE2-NE 3.52Å; E140-R143 IonicContact OE2-NH1 3.47Å; E140-R143 PolarHBondContact OE2-NH1 3.27Å; E140-T144 PolarHBondContact O-N 3.26Å
141N71.1Confident87.1Confident49 Ų4918.7 Ų18.726%0.26210%0.097SC..THydrogen-bonded Turntrans-60.3-20.7-169.9-63.6-18.9000114.4R143 M195N141-R143 VanDerWaalsContact C-N 3.33Å; N141-M195 VanDerWaalsContact ND2-CE 3.33Å; N141-M195 WeakPolarHBondContact ND2-CE 3.1Å; N141-M195 WeakPolarHBondContact ND2-CG 3.3Å; N141-M195 PolarHBondContact ND2-SD 2.97Å; N141-M195 VanDerWaalsContact OD1-CE 3.3Å; N141-M195 WeakPolarHBondContact OD1-CE 3.42Å
142W65.2Low87.6Confident58 Ų5817.7 Ų17.722%0.229%0.09CC..THydrogen-bonded Turntrans-78.5-15.6176.560-91.8000113.5E140 V170 C172 S177E140-W142 PolarHBondContact O-N 3.28Å; W142-V170 HydrophobicContact CZ2-CB 4.49Å; W142-V170 HydrophobicContact CZ2-CG1 4.47Å; W142-C172 HydrophobicContact CB-CB 4.47Å; W142-C172 HydrophobicContact CE3-CB 4.34Å; W142-S177 PolarHBondContact O-N 2.76Å
143R66.6Low88Confident58 Ų5817.1 Ų17.122%0.2199%0.086CC..THydrogen-bonded Turntrans-103.7-24.5179.8-67.6-165.2175.6158.4-10.3114.5P90 E140 N141 A178 V179P90-R143 HydrophobicContact CG-CB 4.13Å; E140-R143 HydrophobicContact CB-CB 4.34Å; E140-R143 HydrophobicContact CB-CG 4.42Å; E140-R143 PolarHBondContact O-N 3.14Å; E140-R143 IonicContact OE1-NH1 2.63Å; E140-R143 WeakPolarHBondContact OE2-CD 3.47Å; E140-R143 IonicContact OE2-CZ 2.58Å; E140-R143 IonicContact OE2-NE 3.52Å; E140-R143 IonicContact OE2-NH1 3.47Å; E140-R143 PolarHBondContact OE2-NH1 3.27Å; N141-R143 VanDerWaalsContact C-N 3.33Å; R143-A178 WeakPolarHBondContact O-CA 3.47Å; R143-V179 PolarHBondContact O-N 3.47Å
144T76.8Confident88.5Confident14 Ų1415.2 Ų15.29%0.0868%0.076CC..  trans-147.2152.1-17474.40000110.7A87 N89 T91 E140 G146A87-T144 HydrophobicContact CB-CG2 3.89Å; A87-T144 WeakPolarHBondContact CB-OG1 3.35Å; N89-T144 WeakPolarHBondContact O-CG2 3.35Å; T91-T144 HydrophobicContact CG2-CG2 4.28Å; E140-T144 PolarHBondContact O-N 3.26Å; T144-G146 PolarHBondContact O-N 3.37Å; T144-G146 PolarHBondContact OG1-N 3.01Å
145R84.9Confident88.7Confident16 Ų1615.8 Ų15.86%0.068%0.078CC..  trans-65.2-25.3166.8-62.3178.817278.111.4112.4L147 A178 E187 L191 D658R145-L147 HydrophobicContact CB-CD1 4.31Å; R145-L147 HydrophobicContact CB-CD2 4.38Å; R145-L147 HydrophobicContact CB-CG 3.86Å; R145-L147 WeakPolarHBondContact O-CD2 3.32Å; R145-L147 PolarHBondContact O-N 2.85Å; R145-A178 HydrophobicContact CG-CB 4.3Å; R145-E187 IonicContact CZ-OE1 2.76Å; R145-E187 IonicContact CZ-OE2 3.52Å; R145-E187 IonicContact NE-OE1 3.32Å; R145-E187 PolarHBondContact NE-OE1 3.32Å; R145-E187 IonicContact NE-OE2 3.38Å; R145-E187 IonicContact NH2-OE1 2.93Å; R145-E187 PolarHBondContact NH2-OE1 3.19Å; R145-E187 IonicContact NH2-OE2 3.51Å; R145-E187 PolarHBondContact NH2-OE2 3.24Å; R145-L191 HydrophobicContact CB-CD2 4.3Å; R145-L191 HydrophobicContact CG-CD1 4.18Å; R145-D658 IonicContact NH1-OD2 3.01Å; R145-D658 PolarHBondContact NH1-OD2 3.33Å
146G85.8Confident88.7Confident11 Ų1116.3 Ų16.311%0.1138%0.08CC..  trans5915.4173.100000116.2T144 V148 S149 L150T144-G146 PolarHBondContact O-N 3.37Å; T144-G146 PolarHBondContact OG1-N 3.01Å; G146-V148 PolarHBondContact O-N 3.32Å; G146-S149 PolarHBondContact O-N 3.46Å; G146-L150 WeakPolarHBondContact O-CB 3.28Å; G146-L150 PolarHBondContact O-N 2.71Å
147L90.4Very high88.6Confident10 Ų1016.4 Ų16.45%0.0528%0.081CC..Hα-helixtrans-61.7-45.1-163.4-61.3180000114.2R145 L150 L151 L191 L507 Y659 V662R145-L147 HydrophobicContact CB-CD1 4.31Å; R145-L147 HydrophobicContact CB-CD2 4.38Å; R145-L147 HydrophobicContact CB-CG 3.86Å; R145-L147 WeakPolarHBondContact O-CD2 3.32Å; R145-L147 PolarHBondContact O-N 2.85Å; L147-L150 PolarHBondContact O-N 3.09Å; L147-L151 WeakPolarHBondContact O-CB 3.03Å; L147-L151 PolarHBondContact O-N 3.22Å; L147-L191 HydrophobicContact CD2-CD2 3.51Å; L147-L191 HydrophobicContact CG-CD2 4.48Å; L147-L507 HydrophobicContact CD1-CD2 4.23Å; L147-L507 HydrophobicContact CD2-CD1 4.13Å; L147-L507 HydrophobicContact CD2-CD2 3.64Å; L147-L507 HydrophobicContact CG-CD2 4.49Å; L147-Y659 HydrophobicContact CD1-CD1 3.58Å; L147-Y659 HydrophobicContact CD1-CE1 3.57Å; L147-Y659 HydrophobicContact CD1-CG 4.22Å; L147-V662 HydrophobicContact CB-CB 3.91Å; L147-V662 HydrophobicContact CB-CG1 4.13Å; L147-V662 HydrophobicContact CB-CG2 4.14Å; L147-V662 HydrophobicContact CD1-CG1 4.12Å
148V91.3Very high88.5Confident37 Ų3717 Ų1722%0.2249%0.085CC..Hα-helixtrans-63.3-47.4178.7177.90000110.3G146 L150 L151 E152 R661 V662 Y665G146-V148 PolarHBondContact O-N 3.32Å; V148-L150 VanDerWaalsContact C-N 3.28Å; V148-L150 PolarHBondContact O-N 3.14Å; V148-L151 PolarHBondContact O-N 2.92Å; V148-E152 VanDerWaalsContact O-CB 3.25Å; V148-E152 WeakPolarHBondContact O-CB 3.31Å; V148-E152 PolarHBondContact O-N 3.24Å; V148-R661 HydrophobicContact CG2-CB 4.39Å; V148-R661 HydrophobicContact CG2-CG 3.76Å; V148-V662 HydrophobicContact CG2-CB 4.32Å; V148-Y665 HydrophobicContact CG1-CD2 3.64Å; V148-Y665 HydrophobicContact CG1-CE2 4.18Å; V148-Y665 HydrophobicContact CG1-CG 3.93Å
149S93.2Very high88.4Confident13 Ų1319.3 Ų19.39%0.09110%0.096CC..Hα-helixtrans-64.2-33.6178.7-54.60000112.4A87 G146 A153A87-S149 PolarHBondContact N-OG 3.45Å; G146-S149 PolarHBondContact O-N 3.46Å; S149-A153 VanDerWaalsContact O-CB 3.27Å; S149-A153 WeakPolarHBondContact O-CB 3.23Å; S149-A153 PolarHBondContact O-N 2.7Å
150L94.7Very high88.3Confident8 Ų828.1 Ų28.14%0.04213%0.134CC..Hα-helixtrans-66.1-46.6175.4-17863.2000111.1F139 G146 L147 V148 E152 A153 T154 A194 M195 F198 M511F139-L150 HydrophobicContact CE1-CB 4.05Å; F139-L150 HydrophobicContact CE1-CD1 4.28Å; F139-L150 HydrophobicContact CZ-CD1 4.44Å; G146-L150 WeakPolarHBondContact O-CB 3.28Å; G146-L150 PolarHBondContact O-N 2.71Å; L147-L150 PolarHBondContact O-N 3.09Å; V148-L150 VanDerWaalsContact C-N 3.28Å; V148-L150 PolarHBondContact O-N 3.14Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-A153 PolarHBondContact O-N 3.12Å; L150-T154 WeakPolarHBondContact O-CB 3.29Å; L150-T154 PolarHBondContact O-N 3.05Å; L150-T154 PolarHBondContact O-OG1 3.24Å; L150-A194 HydrophobicContact CD2-CB 4.41Å; L150-M195 HydrophobicContact CD1-CE 3.76Å; L150-M195 HydrophobicContact CD1-SD 4.33Å; L150-M195 HydrophobicContact CD2-CE 4.22Å; L150-F198 HydrophobicContact CD1-CB 3.75Å; L150-F198 HydrophobicContact CD1-CD1 3.68Å; L150-F198 HydrophobicContact CD1-CD2 3.76Å; L150-F198 HydrophobicContact CD1-CE1 4.18Å; L150-F198 HydrophobicContact CD1-CE2 4.28Å; L150-F198 HydrophobicContact CD1-CG 3.45Å; L150-F198 VanDerWaalsContact CD1-CG 3.45Å; L150-F198 HydrophobicContact CD1-CZ 4.47Å; L150-M511 HydrophobicContact CD2-SD 3.8Å; L150-M511 HydrophobicContact CG-SD 4.04Å
151L94.9Very high88.7Confident3 Ų331.1 Ų31.12%0.01615%0.147CC..Hα-helixtrans-65-41.3177.9-168.265.2000111.6L147 V148 T154 Y155 L510 M511 A514 V662 Y665 L666L147-L151 WeakPolarHBondContact O-CB 3.03Å; L147-L151 PolarHBondContact O-N 3.22Å; V148-L151 PolarHBondContact O-N 2.92Å; L151-T154 WeakPolarHBondContact O-CB 3.07Å; L151-T154 PolarHBondContact O-N 3.01Å; L151-Y155 PolarHBondContact O-N 2.83Å; L151-L510 VanDerWaalsContact CD1-C 3.42Å; L151-L510 HydrophobicContact CD1-CB 4.1Å; L151-L510 WeakPolarHBondContact CD1-O 3.31Å; L151-M511 HydrophobicContact CD1-CG 4.39Å; L151-A514 HydrophobicContact CD1-CB 3.36Å; L151-A514 HydrophobicContact CG-CB 3.85Å; L151-V662 HydrophobicContact CB-CG2 3.97Å; L151-V662 HydrophobicContact CD2-CG2 3.51Å; L151-V662 HydrophobicContact CG-CG2 4.29Å; L151-Y665 HydrophobicContact CD2-CD1 3.72Å; L151-Y665 HydrophobicContact CD2-CE1 4.36Å; L151-Y665 HydrophobicContact CG-CD1 4.22Å; L151-Y665 HydrophobicContact CG-CE1 4.41Å; L151-L666 HydrophobicContact CD2-CB 4.01Å; L151-L666 HydrophobicContact CD2-CD1 4.38Å
152E94.9Very high89.6Confident10 Ų1032 Ų325%0.04716%0.156CC..Hα-helixtrans-63.3-49.7175.6176.8173.7-151.400112.3K129 F137 V148 L150 T154 Y155 L156 Y665K129-E152 WeakPolarHBondContact CD-OE1 3.5Å; K129-E152 WeakPolarHBondContact CE-OE1 3.39Å; K129-E152 IonicContact NZ-OE1 3.28Å; K129-E152 PolarHBondContact NZ-OE1 3.38Å; F137-E152 HydrophobicContact CE1-CB 4.37Å; F137-E152 HydrophobicContact CE1-CG 3.97Å; F137-E152 WeakPolarHBondContact CE1-OE2 3.42Å; F137-E152 HydrophobicContact CZ-CG 3.83Å; V148-E152 VanDerWaalsContact O-CB 3.25Å; V148-E152 WeakPolarHBondContact O-CB 3.31Å; V148-E152 PolarHBondContact O-N 3.24Å; L150-E152 VanDerWaalsContact C-N 3.35Å; E152-T154 PolarHBondContact O-N 3.47Å; E152-Y155 WeakPolarHBondContact O-CB 3.41Å; E152-Y155 PolarHBondContact O-N 2.93Å; E152-Y155 VanDerWaalsContact O-N 3.14Å; E152-L156 HydrophobicContact CG-CD1 3.91Å; E152-L156 HydrophobicContact CG-CG 4.41Å; E152-L156 WeakPolarHBondContact O-CG 3.46Å; E152-L156 PolarHBondContact O-N 3.1Å; E152-Y665 HydrophobicContact CB-CE1 4.31Å; E152-Y665 HydrophobicContact CB-CE2 4.48Å; E152-Y665 WeakPolarHBondContact CB-OH 3.31Å; E152-Y665 WeakPolarHBondContact CG-OH 2.92Å
153A96.7Very high91.1Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-61.2-34.717700000111.4F137 F139 S149 L150 L156 A157 F198F137-A153 HydrophobicContact CD1-CB 3.94Å; F137-A153 HydrophobicContact CE1-CB 4.33Å; F137-A153 HydrophobicContact CG-CB 4.32Å; F139-A153 HydrophobicContact CE2-CB 4.22Å; F139-A153 HydrophobicContact CZ-CB 3.82Å; S149-A153 VanDerWaalsContact O-CB 3.27Å; S149-A153 WeakPolarHBondContact O-CB 3.23Å; S149-A153 PolarHBondContact O-N 2.7Å; L150-A153 PolarHBondContact O-N 3.12Å; A153-L156 PolarHBondContact O-N 3.09Å; A153-A157 WeakPolarHBondContact O-CB 3.42Å; A153-A157 PolarHBondContact O-N 3.24Å; A153-F198 HydrophobicContact CB-CE2 4.01Å; A153-F198 HydrophobicContact CB-CZ 3.73Å
154T97.2Very high92.5Very high1 Ų127.3 Ų27.31%0.00614%0.139CC..Hα-helixtrans-62.1-47.5173.3-620000111.7L150 L151 E152 A157 S158 F198 M201 M511 A514 Y515L150-T154 WeakPolarHBondContact O-CB 3.29Å; L150-T154 PolarHBondContact O-N 3.05Å; L150-T154 PolarHBondContact O-OG1 3.24Å; L151-T154 WeakPolarHBondContact O-CB 3.07Å; L151-T154 PolarHBondContact O-N 3.01Å; E152-T154 PolarHBondContact O-N 3.47Å; T154-A157 PolarHBondContact O-N 3.08Å; T154-S158 PolarHBondContact O-N 3.37Å; T154-S158 VanDerWaalsContact O-N 3.13Å; T154-F198 WeakPolarHBondContact OG1-CD2 3.41Å; T154-M201 HydrophobicContact CG2-CE 3.77Å; T154-M201 HydrophobicContact CG2-SD 4Å; T154-M511 HydrophobicContact CG2-CB 4.18Å; T154-M511 VanDerWaalsContact CG2-O 3.24Å; T154-M511 WeakPolarHBondContact CG2-O 3.48Å; T154-A514 HydrophobicContact CG2-CB 4.44Å; T154-Y515 HydrophobicContact CG2-CD2 4.4Å
155Y97.1Very high93.5Very high22 Ų2226.6 Ų26.69%0.08614%0.135CC..Hα-helixtrans-60.6-49.1175171.2-108.1000111.7L151 E152 A157 S158 Q159 I517 G518 L669 L673L151-Y155 PolarHBondContact O-N 2.83Å; E152-Y155 WeakPolarHBondContact O-CB 3.41Å; E152-Y155 PolarHBondContact O-N 2.93Å; E152-Y155 VanDerWaalsContact O-N 3.14Å; Y155-A157 VanDerWaalsContact C-N 3.33Å; Y155-A157 PolarHBondContact O-N 3.1Å; Y155-S158 PolarHBondContact O-N 2.7Å; Y155-S158 VanDerWaalsContact O-N 3.15Å; Y155-S158 PolarHBondContact O-OG 3.48Å; Y155-Q159 HydrophobicContact CE2-CG 4.3Å; Y155-Q159 PolarHBondContact O-N 2.92Å; Y155-Q159 PolarHBondContact OH-NE2 2.93Å; Y155-I517 HydrophobicContact CD2-CG2 4.34Å; Y155-I517 HydrophobicContact CE2-CG2 4.02Å; Y155-G518 VanDerWaalsContact CE2-CA 3.44Å; Y155-L669 HydrophobicContact CD1-CD1 4.34Å; Y155-L669 HydrophobicContact CD1-CD2 4.44Å; Y155-L669 HydrophobicContact CD2-CD1 4.32Å; Y155-L669 HydrophobicContact CD2-CD2 3.69Å; Y155-L669 HydrophobicContact CE1-CD1 3.88Å; Y155-L669 HydrophobicContact CE2-CD1 3.88Å; Y155-L669 HydrophobicContact CE2-CD2 4.01Å; Y155-L669 HydrophobicContact CE2-CG 4.41Å; Y155-L669 HydrophobicContact CG-CD2 3.91Å; Y155-L673 HydrophobicContact CE2-CD1 4.27Å
156L96.1Very high94Very high11 Ų1125.9 Ų25.96%0.05813%0.132CC..Hα-helixtrans-63-37.8179.7-66.9169.6000112.7L135 F137 E152 A153 S158 Q159 K160 K161L135-L156 HydrophobicContact CD1-CD1 3.97Å; L135-L156 HydrophobicContact CD1-CD2 3.99Å; L135-L156 HydrophobicContact CD1-CG 4.43Å; F137-L156 HydrophobicContact CE2-CD1 3.58Å; F137-L156 HydrophobicContact CZ-CD1 3.6Å; E152-L156 HydrophobicContact CG-CD1 3.91Å; E152-L156 HydrophobicContact CG-CG 4.41Å; E152-L156 WeakPolarHBondContact O-CG 3.46Å; E152-L156 PolarHBondContact O-N 3.1Å; A153-L156 PolarHBondContact O-N 3.09Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-Q159 PolarHBondContact O-N 3.03Å; L156-K160 PolarHBondContact O-N 2.95Å; L156-K161 HydrophobicContact CB-CB 4.38Å; L156-K161 HydrophobicContact CB-CG 4.41Å; L156-K161 HydrophobicContact CD2-CG 3.98Å; L156-K161 PolarHBondContact O-N 3.36Å
157A95.9Very high94.3Very high2 Ų226.2 Ų26.22%0.01713%0.131CC..Hα-helixtrans-61.7-42174.800000111.7A153 T154 Y155 Q159 K160 L163 I202 L205 I207A153-A157 WeakPolarHBondContact O-CB 3.42Å; A153-A157 PolarHBondContact O-N 3.24Å; T154-A157 PolarHBondContact O-N 3.08Å; Y155-A157 VanDerWaalsContact C-N 3.33Å; Y155-A157 PolarHBondContact O-N 3.1Å; A157-Q159 VanDerWaalsContact C-N 3.28Å; A157-Q159 PolarHBondContact O-N 3.24Å; A157-K160 PolarHBondContact O-N 3.49Å; A157-K160 VanDerWaalsContact O-N 3.11Å; A157-L163 HydrophobicContact CB-CD2 4.07Å; A157-I202 HydrophobicContact CB-CD1 4.05Å; A157-L205 HydrophobicContact CB-CD1 3.96Å; A157-I207 HydrophobicContact CB-CD1 3.52Å
158S95.1Very high94Very high12 Ų1226.8 Ų26.88%0.08414%0.136CC..Hα-helixtrans-65.4-31.4177.3760000113.1T154 Y155 L156 K160 Y515 G518T154-S158 PolarHBondContact O-N 3.37Å; T154-S158 VanDerWaalsContact O-N 3.13Å; Y155-S158 PolarHBondContact O-N 2.7Å; Y155-S158 VanDerWaalsContact O-N 3.15Å; Y155-S158 PolarHBondContact O-OG 3.48Å; L156-S158 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 3.08Å; S158-Y515 VanDerWaalsContact CB-CD2 3.45Å; S158-Y515 VanDerWaalsContact CB-O 3.31Å; S158-Y515 WeakPolarHBondContact CB-O 3.24Å; S158-Y515 PolarHBondContact OG-O 2.81Å; S158-G518 VanDerWaalsContact OG-C 3.24Å; S158-G518 WeakPolarHBondContact OG-CA 3.39Å
159Q92.6Very high93.1Very high51 Ų5131.9 Ų31.924%0.23816%0.155CC..THydrogen-bonded Turntrans-791.2174.7-69.3-162.7-30.600114.4Y155 L156 A157 K161Y155-Q159 HydrophobicContact CE2-CG 4.3Å; Y155-Q159 PolarHBondContact O-N 2.92Å; Y155-Q159 PolarHBondContact OH-NE2 2.93Å; L156-Q159 PolarHBondContact O-N 3.03Å; A157-Q159 VanDerWaalsContact C-N 3.28Å; A157-Q159 PolarHBondContact O-N 3.24Å; Q159-K161 HydrophobicContact CB-CG 3.93Å; Q159-K161 PolarHBondContact O-N 3.47Å; Q159-K161 VanDerWaalsContact OE1-CE 3.24Å
160K90.2Very high91.7Very high189 Ų18935.3 Ų35.382%0.82218%0.175SC*.THydrogen-bonded Turntrans55.935.1-176.8-52.5178.9-178.1176.20113L156 A157 S158L156-K160 PolarHBondContact O-N 2.95Å; A157-K160 PolarHBondContact O-N 3.49Å; A157-K160 VanDerWaalsContact O-N 3.11Å; S158-K160 PolarHBondContact O-N 3.08Å
161K91.9Very high89.7Confident79 Ų7943.7 Ų43.734%0.34321%0.214SC..  trans-66.1157.6173.2-64.1-65.4-174.4177.50110.4L135 L156 Q159 L163L135-K161 HydrophobicContact CD1-CB 3.78Å; L135-K161 HydrophobicContact CD1-CG 4.33Å; L156-K161 HydrophobicContact CB-CB 4.38Å; L156-K161 HydrophobicContact CB-CG 4.41Å; L156-K161 HydrophobicContact CD2-CG 3.98Å; L156-K161 PolarHBondContact O-N 3.36Å; Q159-K161 HydrophobicContact CB-CG 3.93Å; Q159-K161 PolarHBondContact O-N 3.47Å; Q159-K161 VanDerWaalsContact OE1-CE 3.24Å; K161-L163 PolarHBondContact O-N 3.43Å
162P90.4Very high87.5Confident68 Ų6846.1 Ų46.144%0.44223%0.231SC..  trans-73.567.5-178.931.7-36.4000111.4D133 L135D133-P162 WeakPolarHBondContact O-CB 3.46Å; D133-P162 WeakPolarHBondContact O-CG 3.19Å; L135-P162 PolarHBondContact N-O 3.3Å
163L95.7Very high85.3Confident6 Ų652.3 Ų52.33%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-85.5133-173.8-166.767.6000110.4L135 F137 A157 K161 L165 I207L135-L163 HydrophobicContact CB-CD1 3.96Å; L135-L163 WeakPolarHBondContact O-CA 3.47Å; L135-L163 WeakPolarHBondContact O-CD1 3.24Å; F137-L163 HydrophobicContact CB-CD1 4.42Å; F137-L163 HydrophobicContact CD2-CD1 3.57Å; F137-L163 HydrophobicContact CE2-CD1 4.15Å; F137-L163 HydrophobicContact CG-CD1 4.22Å; A157-L163 HydrophobicContact CB-CD2 4.07Å; K161-L163 PolarHBondContact O-N 3.43Å; L163-L165 HydrophobicContact CD1-CD2 3.99Å; L163-L165 HydrophobicContact CD2-CD1 4.21Å; L163-L165 HydrophobicContact CD2-CD2 3.78Å; L163-L165 HydrophobicContact CD2-CG 4.12Å; L163-L165 HydrophobicContact CG-CD2 3.67Å; L163-L165 HydrophobicContact CG-CG 4.05Å; L163-I207 HydrophobicContact CB-CG2 4.19Å; L163-I207 HydrophobicContact CD2-CD1 4.36Å; L163-I207 HydrophobicContact CD2-CG2 4.32Å; L163-I207 HydrophobicContact CG-CG2 4.35Å
164V96.7Very high83.1Confident10 Ų1057.8 Ų57.86%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-123.9130.3167.3177.20000107.6I134 L135 L136 F137 F210 A216 A220I134-V164 HydrophobicContact CG2-CB 4.45Å; I134-V164 HydrophobicContact CG2-CG2 4.02Å; L135-V164 PolarHBondContact O-N 2.82Å; L136-V164 WeakPolarHBondContact CA-O 3.19Å; L136-V164 HydrophobicContact CD1-CB 4.3Å; L136-V164 HydrophobicContact CD1-CG1 4.07Å; F137-V164 PolarHBondContact N-O 3.19Å; V164-F210 HydrophobicContact CG1-CD2 4.27Å; V164-F210 HydrophobicContact CG1-CE2 4.09Å; V164-A216 HydrophobicContact CG1-CB 4.22Å; V164-A220 HydrophobicContact CG1-CB 4.42Å; V164-A220 HydrophobicContact CG2-CB 4.07Å
165L97.1Very high80.8Confident0 Ų063.4 Ų63.40%032%0.324CS..EExtended strand (participates in β ladder)trans-113144.4-173.3-61.9-179000112F137 F139 L163 F198 I202 I207 P208 C209 F210F137-L165 HydrophobicContact CB-CD2 3.56Å; F137-L165 CarbonylContact O-C 3.5Å; F137-L165 WeakPolarHBondContact O-CA 3.37Å; F139-L165 HydrophobicContact CE2-CD2 4.23Å; L163-L165 HydrophobicContact CD1-CD2 3.99Å; L163-L165 HydrophobicContact CD2-CD1 4.21Å; L163-L165 HydrophobicContact CD2-CD2 3.78Å; L163-L165 HydrophobicContact CD2-CG 4.12Å; L163-L165 HydrophobicContact CG-CD2 3.67Å; L163-L165 HydrophobicContact CG-CG 4.05Å; L165-F198 HydrophobicContact CD1-CE1 3.77Å; L165-F198 HydrophobicContact CD1-CZ 3.64Å; L165-F198 HydrophobicContact CD2-CZ 4.49Å; L165-I202 HydrophobicContact CD1-CB 4.28Å; L165-I202 HydrophobicContact CD1-CD1 3.42Å; L165-I202 VanDerWaalsContact CD1-CD1 3.42Å; L165-I202 HydrophobicContact CD1-CG1 3.47Å; L165-I202 VanDerWaalsContact CD1-CG1 3.47Å; L165-I202 HydrophobicContact CD1-CG2 3.79Å; L165-I207 HydrophobicContact CD1-CG2 4.05Å; L165-I207 HydrophobicContact CG-CG2 4.12Å; L165-P208 PolarHBondContact N-O 3.16Å; L165-C209 HydrophobicContact CB-CB 4.11Å; L165-C209 CarbonylContact O-C 3.56Å; L165-C209 WeakPolarHBondContact O-CA 3.46Å; L165-F210 PolarHBondContact O-N 3.33Å
166C95.7Very high78.8Confident0 Ų063.5 Ų63.50%033%0.327CS..EExtended strand (participates in β ladder)trans-127.7117.5165.2-177.80000109.4F137 V138 F139 F210 V213 A216F137-C166 PolarHBondContact O-N 3.4Å; V138-C166 CarbonylContact C-O 3.28Å; V138-C166 WeakPolarHBondContact CA-O 3.29Å; V138-C166 HydrophobicContact CB-CB 4.39Å; V138-C166 HydrophobicContact CG1-CB 4.17Å; V138-C166 HydrophobicContact CG2-CB 4.01Å; F139-C166 PolarHBondContact N-O 2.92Å; C166-F210 CarbonylContact C-O 3.51Å; C166-F210 VanDerWaalsContact CA-O 3.26Å; C166-F210 WeakPolarHBondContact CA-O 3.28Å; C166-V213 HydrophobicContact CB-CG2 4.46Å; C166-V213 PolarHBondContact SG-N 3.19Å; C166-V213 VanDerWaalsContact SG-N 3.37Å; C166-A216 HydrophobicContact CB-CB 4.07Å
167I92.9Very high76.8Confident18 Ų1865 Ų659%0.09234%0.338CS..EExtended strand (participates in β ladder)trans-111.3102.2174.1-57.7174.1000106.9F139 K169 M195 F198 I199 F210 S211F139-I167 HydrophobicContact CB-CG1 4.32Å; F139-I167 HydrophobicContact CD2-CG1 4.2Å; I167-K169 PolarHBondContact O-N 3.39Å; I167-M195 HydrophobicContact CD1-SD 4.1Å; I167-M195 HydrophobicContact CG2-SD 4.4Å; I167-F198 HydrophobicContact CD1-CD1 4.27Å; I167-F198 HydrophobicContact CD1-CE1 4.34Å; I167-I199 HydrophobicContact CD1-CD1 4.02Å; I167-I199 HydrophobicContact CD1-CG1 3.55Å; I167-F210 PolarHBondContact N-O 3.04Å; I167-S211 WeakPolarHBondContact O-CA 3.45Å
168S84.5Confident74.9Confident22 Ų2265.1 Ų65.115%0.15434%0.339CS..  trans-67.5129.4-175.4-175.90000110.8F139F139-S168 PolarHBondContact O-N 2.83Å
169K71.2Confident73.1Confident145 Ų14569.6 Ų69.663%0.6337%0.366SS*.  trans-95.110-179.7-70.8-171.3176.8-176.40114.1I167 E171I167-K169 PolarHBondContact O-N 3.39Å; K169-E171 PolarHBondContact O-N 2.89Å
170V64.4Low71.6Confident85 Ų8570.4 Ų70.452%0.51539%0.388SS..  trans-58.2111.2-176.1-179.50000109.5W142 C172W142-V170 HydrophobicContact CZ2-CB 4.49Å; W142-V170 HydrophobicContact CZ2-CG1 4.47Å; V170-C172 PolarHBondContact O-N 3.42Å; V170-C172 VanDerWaalsContact O-N 3.13Å
171E52.2Low70.7Confident183 Ų18364.6 Ų64.686%0.85536%0.364SS*.  trans-68.6103.4171.9-68.3178-177.100106.9K169 T173K169-E171 PolarHBondContact O-N 2.89Å; E171-T173 PolarHBondContact O-N 3.48Å
172C50.1Low69.7Low54 Ų5467 Ų6737%0.36538%0.38SS..  trans-71.4123.1163.3-164.50000106.4W142 V170 D174W142-C172 HydrophobicContact CB-CB 4.47Å; W142-C172 HydrophobicContact CE3-CB 4.34Å; V170-C172 PolarHBondContact O-N 3.42Å; V170-C172 VanDerWaalsContact O-N 3.13Å; C172-D174 WeakPolarHBondContact CB-O 3.29Å; C172-D174 PolarHBondContact O-N 2.87Å; C172-D174 PolarHBondContact SG-O 3.14Å; C172-D174 VanDerWaalsContact SG-O 3.35Å
173T48.8Very low69.1Low141 Ų14164 Ų6487%0.86536%0.36SS*.SBendtrans-61-21.4172.947.20000111.9E171E171-T173 PolarHBondContact O-N 3.48Å
174D50.4Low68.3Low115 Ų11565.7 Ų65.762%0.61538%0.375SS*.SBendtrans-98.5145174.3-58.7-43.2000110.9C172C172-D174 WeakPolarHBondContact CB-O 3.29Å; C172-D174 PolarHBondContact O-N 2.87Å; C172-D174 PolarHBondContact SG-O 3.14Å; C172-D174 VanDerWaalsContact SG-O 3.35Å
175F48.7Very low67.5Low119 Ų11973.2 Ų73.252%0.52241%0.407SS..  trans-43.8136.1176.6-111.1-96000111.1S177F175-S177 PolarHBondContact O-N 3.4Å; F175-S177 PolarHBondContact O-OG 3.19Å
176P55Low66.6Low23 Ų2375.8 Ų75.815%0.14942%0.42CS..  trans-47.9116.4179-29.635.8000111.1I183 Y188P176-I183 HydrophobicContact CB-CD1 4.22Å; P176-I183 WeakPolarHBondContact O-CG1 3.42Å; P176-Y188 HydrophobicContact CB-CD2 4.26Å; P176-Y188 HydrophobicContact CB-CE2 4.26Å; P176-Y188 HydrophobicContact CG-CD2 3.79Å; P176-Y188 HydrophobicContact CG-CE2 3.48Å; P176-Y188 VanDerWaalsContact CG-CE2 3.48Å
177S53.1Low66.1Low44 Ų4476.1 Ų76.131%0.30842%0.422SS..EExtended strand (participates in β ladder)trans-105.2105.3-178.6-690000108.5W142 F175 V179 E181W142-S177 PolarHBondContact O-N 2.76Å; F175-S177 PolarHBondContact O-N 3.4Å; F175-S177 PolarHBondContact O-OG 3.19Å; S177-V179 PolarHBondContact O-N 3.06Å; S177-E181 WeakPolarHBondContact CA-O 3.47Å
178A55.8Low65.6Low4 Ų479.2 Ų79.23%0.03343%0.433CS..EExtended strand (participates in β ladder)trans-76.1106170.200000108.2R143 R145 G180 E181 I183R143-A178 WeakPolarHBondContact O-CA 3.47Å; R145-A178 HydrophobicContact CG-CB 4.3Å; A178-G180 PolarHBondContact O-N 3.42Å; A178-G180 VanDerWaalsContact O-N 3.16Å; A178-E181 PolarHBondContact N-O 3.38Å; A178-E181 VanDerWaalsContact N-O 3.1Å; A178-E181 PolarHBondContact O-N 2.95Å; A178-I183 HydrophobicContact CB-CD1 4.05Å; A178-I183 HydrophobicContact CB-CG1 4.11Å
179V57.1Low65.5Low106 Ų10681.5 Ų81.564%0.64244%0.439SS*.THydrogen-bonded Turntrans52.240.6179.3-163.60000112R143 S177 E181R143-V179 PolarHBondContact O-N 3.47Å; S177-V179 PolarHBondContact O-N 3.06Å; V179-E181 VanDerWaalsContact C-N 3.3Å; V179-E181 PolarHBondContact O-N 3.48Å
180G61.5Low66.2Low68 Ų6876.2 Ų76.270%0.70142%0.416SS*.THydrogen-bonded Turntrans79.1-0.2179.800000116.1A178A178-G180 PolarHBondContact O-N 3.42Å; A178-G180 VanDerWaalsContact O-N 3.16Å
181E71.4Confident67.3Low67 Ų6773.2 Ų73.231%0.31340%0.397SS..EExtended strand (participates in β ladder)trans-90.2133.4170.1-65.4-172.6169.500111.3S177 A178 V179 I183 S652 Q654S177-E181 WeakPolarHBondContact CA-O 3.47Å; A178-E181 PolarHBondContact N-O 3.38Å; A178-E181 VanDerWaalsContact N-O 3.1Å; A178-E181 PolarHBondContact O-N 2.95Å; V179-E181 VanDerWaalsContact C-N 3.3Å; V179-E181 PolarHBondContact O-N 3.48Å; E181-I183 PolarHBondContact O-N 2.94Å; E181-S652 VanDerWaalsContact OE2-CB 3.3Å; E181-S652 WeakPolarHBondContact OE2-CB 3.49Å; E181-S652 PolarHBondContact OE2-OG 3.18Å; E181-Q654 WeakPolarHBondContact OE1-CB 3.22Å
182N71.7Confident68.9Low128 Ų12868.8 Ų68.868%0.68438%0.376SS*.EExtended strand (participates in β ladder)trans-67.7117.8169.9-74.9-33.2000110A184N182-A184 PolarHBondContact O-N 3.28Å
183I77.3Confident70.6Confident6 Ų667.3 Ų67.33%0.03136%0.364CS..PPolyproline II helixtrans-69129.1171.9-60.1179.1000108.4P176 A178 E181 E187 L191P176-I183 HydrophobicContact CB-CD1 4.22Å; P176-I183 WeakPolarHBondContact O-CG1 3.42Å; A178-I183 HydrophobicContact CB-CD1 4.05Å; A178-I183 HydrophobicContact CB-CG1 4.11Å; E181-I183 PolarHBondContact O-N 2.94Å; I183-E187 HydrophobicContact CG2-CB 3.85Å; I183-E187 HydrophobicContact CG2-CG 3.76Å; I183-L191 HydrophobicContact CD1-CD1 4.04Å; I183-L191 HydrophobicContact CG2-CD1 4.04Å
184A79.3Confident72.6Confident41 Ų4160.7 Ų60.734%0.33932%0.323SS..PPolyproline II helixtrans-60.6142.7177.100000110.5N182 L186 E187 Y188N182-A184 PolarHBondContact O-N 3.28Å; A184-L186 PolarHBondContact O-N 2.95Å; A184-L186 VanDerWaalsContact O-N 3.11Å; A184-E187 HydrophobicContact CB-CB 4.18Å; A184-E187 WeakPolarHBondContact O-CA 3.3Å; A184-E187 WeakPolarHBondContact O-CB 3.38Å; A184-E187 PolarHBondContact O-N 2.6Å; A184-Y188 PolarHBondContact O-N 3.41Å
185K79.4Confident74.5Confident169 Ų16955.9 Ų55.974%0.73530%0.298SS*.Hα-helixtrans-52.1-40.8-177-174.1176.5-179.2177.30113.5Y189K185-Y189 PolarHBondContact O-N 3.25Å; K185-Y189 VanDerWaalsContact O-N 3.16Å
186L79.2Confident76.5Confident53 Ų5353.5 Ų53.528%0.27729%0.29SS..Hα-helixtrans-69.7-38.5177.8-176.660.1000112.2A184 Y189 F190 L641 S647A184-L186 PolarHBondContact O-N 2.95Å; A184-L186 VanDerWaalsContact O-N 3.11Å; L186-Y189 WeakPolarHBondContact O-CB 3.41Å; L186-Y189 PolarHBondContact O-N 3.45Å; L186-F190 HydrophobicContact CD1-CD2 4.43Å; L186-F190 HydrophobicContact CD1-CE2 3.81Å; L186-F190 HydrophobicContact CG-CD2 4.37Å; L186-F190 HydrophobicContact CG-CE2 3.89Å; L186-F190 WeakPolarHBondContact O-CD2 3.25Å; L186-F190 PolarHBondContact O-N 2.96Å; L186-L641 HydrophobicContact CD1-CD2 4.38Å; L186-S647 WeakPolarHBondContact CD2-OG 3.45Å
187E83.8Confident78.1Confident8 Ų853.6 Ų53.64%0.03729%0.291CS..Hα-helixtrans-63.9-45.9174.8-179.9179.8-160.500111.1R145 I183 A184 Y189 F190 L191 F505 Y659R145-E187 IonicContact CZ-OE1 2.76Å; R145-E187 IonicContact CZ-OE2 3.52Å; R145-E187 IonicContact NE-OE1 3.32Å; R145-E187 PolarHBondContact NE-OE1 3.32Å; R145-E187 IonicContact NE-OE2 3.38Å; R145-E187 IonicContact NH2-OE1 2.93Å; R145-E187 PolarHBondContact NH2-OE1 3.19Å; R145-E187 IonicContact NH2-OE2 3.51Å; R145-E187 PolarHBondContact NH2-OE2 3.24Å; I183-E187 HydrophobicContact CG2-CB 3.85Å; I183-E187 HydrophobicContact CG2-CG 3.76Å; A184-E187 HydrophobicContact CB-CB 4.18Å; A184-E187 WeakPolarHBondContact O-CA 3.3Å; A184-E187 WeakPolarHBondContact O-CB 3.38Å; A184-E187 PolarHBondContact O-N 2.6Å; E187-Y189 VanDerWaalsContact C-N 3.26Å; E187-Y189 PolarHBondContact O-N 3.31Å; E187-F190 PolarHBondContact O-N 3.09Å; E187-F190 VanDerWaalsContact O-N 3.15Å; E187-L191 HydrophobicContact CG-CD1 4.14Å; E187-L191 WeakPolarHBondContact O-CG 3.07Å; E187-L191 PolarHBondContact O-N 2.96Å; E187-L191 VanDerWaalsContact O-N 3.08Å; E187-F505 HydrophobicContact CB-CZ 4.4Å; E187-F505 HydrophobicContact CG-CZ 4.35Å; E187-Y659 VanDerWaalsContact CG-OH 3.3Å; E187-Y659 WeakPolarHBondContact CG-OH 3.35Å; E187-Y659 WeakPolarHBondContact OE1-CE2 3.09Å; E187-Y659 PolarHBondContact OE1-OH 3.36Å
188Y83.2Confident80Confident82 Ų8251.5 Ų51.532%0.32228%0.276SS..Hα-helixtrans-56.4-42.5177.3177.1-99.6000111.8P176 A184 F190 L191 E192P176-Y188 HydrophobicContact CB-CD2 4.26Å; P176-Y188 HydrophobicContact CB-CE2 4.26Å; P176-Y188 HydrophobicContact CG-CD2 3.79Å; P176-Y188 HydrophobicContact CG-CE2 3.48Å; P176-Y188 VanDerWaalsContact CG-CE2 3.48Å; A184-Y188 PolarHBondContact O-N 3.41Å; Y188-F190 PolarHBondContact O-N 3.18Å; Y188-L191 PolarHBondContact O-N 3.4Å; Y188-E192 HydrophobicContact CE1-CB 4.44Å; Y188-E192 WeakPolarHBondContact O-CB 3.16Å; Y188-E192 PolarHBondContact O-N 2.98Å
189Y82.2Confident81.8Confident70 Ų7053.3 Ų53.328%0.27529%0.285SS..Hα-helixtrans-55.4-48.1176176.1-95.2000112.3K185 L186 E187 L191 E192 E193 H466K185-Y189 PolarHBondContact O-N 3.25Å; K185-Y189 VanDerWaalsContact O-N 3.16Å; L186-Y189 WeakPolarHBondContact O-CB 3.41Å; L186-Y189 PolarHBondContact O-N 3.45Å; E187-Y189 VanDerWaalsContact C-N 3.26Å; E187-Y189 PolarHBondContact O-N 3.31Å; Y189-L191 PolarHBondContact O-N 3.3Å; Y189-E192 PolarHBondContact O-N 3.39Å; Y189-E193 WeakPolarHBondContact O-CB 3.34Å; Y189-E193 PolarHBondContact O-N 3.05Å; Y189-H466 AromaticContact CZ-CE1 3.62Å; Y189-H466 PolarHBondContact OH-CE1 3.16Å; Y189-H466 PolarHBondContact OH-NE2 2.99Å
190F85.6Confident83.4Confident34 Ų3450 Ų5015%0.14926%0.263CS..Hα-helixtrans-66.5-34.7178.3-73-67.4000113.3L186 E187 Y188 A194 F505 L507L186-F190 HydrophobicContact CD1-CD2 4.43Å; L186-F190 HydrophobicContact CD1-CE2 3.81Å; L186-F190 HydrophobicContact CG-CD2 4.37Å; L186-F190 HydrophobicContact CG-CE2 3.89Å; L186-F190 WeakPolarHBondContact O-CD2 3.25Å; L186-F190 PolarHBondContact O-N 2.96Å; E187-F190 PolarHBondContact O-N 3.09Å; E187-F190 VanDerWaalsContact O-N 3.15Å; Y188-F190 PolarHBondContact O-N 3.18Å; F190-A194 WeakPolarHBondContact O-CB 3.49Å; F190-A194 PolarHBondContact O-N 3.43Å; F190-F505 HydrophobicContact CB-CD2 4.08Å; F190-F505 AromaticContact CD2-CD2 3.47Å; F190-F505 HydrophobicContact CD2-CD2 3.47Å; F190-F505 VanDerWaalsContact CD2-CD2 3.47Å; F190-F505 AromaticContact CD2-CE2 3.57Å; F190-F505 HydrophobicContact CD2-CE2 3.57Å; F190-F505 HydrophobicContact CE2-CD2 4.03Å; F190-F505 HydrophobicContact CE2-CE2 4.04Å; F190-F505 AromaticContact CG-CD2 3.87Å; F190-F505 HydrophobicContact CG-CD2 3.87Å; F190-F505 HydrophobicContact CG-CE2 4.38Å; F190-L507 HydrophobicContact CB-CD1 4.45Å
191L88.4Confident84.8Confident23 Ų2347.2 Ų47.212%0.1223%0.232CC..Hα-helixtrans-65.8-44175.2-68.5168.9000111.4R145 L147 I183 E187 Y188 Y189 A194 M195 L507R145-L191 HydrophobicContact CB-CD2 4.3Å; R145-L191 HydrophobicContact CG-CD1 4.18Å; L147-L191 HydrophobicContact CD2-CD2 3.51Å; L147-L191 HydrophobicContact CG-CD2 4.48Å; I183-L191 HydrophobicContact CD1-CD1 4.04Å; I183-L191 HydrophobicContact CG2-CD1 4.04Å; E187-L191 HydrophobicContact CG-CD1 4.14Å; E187-L191 WeakPolarHBondContact O-CG 3.07Å; E187-L191 PolarHBondContact O-N 2.96Å; E187-L191 VanDerWaalsContact O-N 3.08Å; Y188-L191 PolarHBondContact O-N 3.4Å; Y189-L191 PolarHBondContact O-N 3.3Å; L191-A194 PolarHBondContact O-N 2.87Å; L191-M195 WeakPolarHBondContact O-CB 3.41Å; L191-M195 PolarHBondContact O-N 3.33Å; L191-L507 HydrophobicContact CD2-CD1 3.79Å; L191-L507 HydrophobicContact CG-CD1 4.42Å
192E85.3Confident85.9Confident89 Ų8944.2 Ų44.242%0.41622%0.217SC..Hα-helixtrans-63.9-43.8176.6-177.6173.6-143.100111.4Y188 Y189 M195 N196Y188-E192 HydrophobicContact CE1-CB 4.44Å; Y188-E192 WeakPolarHBondContact O-CB 3.16Å; Y188-E192 PolarHBondContact O-N 2.98Å; Y189-E192 PolarHBondContact O-N 3.39Å; E192-M195 PolarHBondContact O-N 2.95Å; E192-N196 WeakPolarHBondContact O-CB 2.89Å; E192-N196 VanDerWaalsContact O-CG 3.31Å; E192-N196 PolarHBondContact O-N 3.47Å; E192-N196 PolarHBondContact O-ND2 2.88Å
193E86Confident86.9Confident24 Ų2443.4 Ų43.411%0.11221%0.208CC..Hα-helixtrans-59.2-48.9176-162.2-170.4159.300111.7Y189 M195 N196 C197 F465 I508Y189-E193 WeakPolarHBondContact O-CB 3.34Å; Y189-E193 PolarHBondContact O-N 3.05Å; E193-M195 VanDerWaalsContact C-N 3.34Å; E193-M195 PolarHBondContact O-N 3.39Å; E193-N196 PolarHBondContact O-N 3.11Å; E193-C197 PolarHBondContact O-N 3.39Å; E193-F465 HydrophobicContact CG-CD2 3.65Å; E193-F465 HydrophobicContact CG-CE2 4.07Å; E193-I508 HydrophobicContact CG-CD1 4Å; E193-I508 WeakPolarHBondContact OE1-CD1 3.27Å
194A90.6Very high87.6Confident1 Ų146.7 Ų46.71%0.00822%0.22CC..Hα-helixtrans-61.1-41.4177.300000112.4L150 F190 L191 C197 F198 L507 M511L150-A194 HydrophobicContact CD2-CB 4.41Å; F190-A194 WeakPolarHBondContact O-CB 3.49Å; F190-A194 PolarHBondContact O-N 3.43Å; L191-A194 PolarHBondContact O-N 2.87Å; A194-C197 WeakPolarHBondContact O-CB 3.34Å; A194-C197 PolarHBondContact O-N 3.24Å; A194-F198 PolarHBondContact O-N 3.43Å; A194-L507 HydrophobicContact CB-CB 3.77Å; A194-L507 HydrophobicContact CB-CD1 4.13Å; A194-M511 HydrophobicContact CB-SD 4.09Å
195M90.5Very high88.3Confident15 Ų1547.3 Ų47.37%0.07422%0.217CC..Hα-helixtrans-64.9-38.8175.9-173.461.550.100112F139 N141 L150 I167 L191 E192 E193 F198 I199F139-M195 HydrophobicContact CD1-CE 4.32Å; N141-M195 VanDerWaalsContact ND2-CE 3.33Å; N141-M195 WeakPolarHBondContact ND2-CE 3.1Å; N141-M195 WeakPolarHBondContact ND2-CG 3.3Å; N141-M195 PolarHBondContact ND2-SD 2.97Å; N141-M195 VanDerWaalsContact OD1-CE 3.3Å; N141-M195 WeakPolarHBondContact OD1-CE 3.42Å; L150-M195 HydrophobicContact CD1-CE 3.76Å; L150-M195 HydrophobicContact CD1-SD 4.33Å; L150-M195 HydrophobicContact CD2-CE 4.22Å; I167-M195 HydrophobicContact CD1-SD 4.1Å; I167-M195 HydrophobicContact CG2-SD 4.4Å; L191-M195 WeakPolarHBondContact O-CB 3.41Å; L191-M195 PolarHBondContact O-N 3.33Å; E192-M195 PolarHBondContact O-N 2.95Å; E193-M195 VanDerWaalsContact C-N 3.34Å; E193-M195 PolarHBondContact O-N 3.39Å; M195-F198 WeakPolarHBondContact O-CB 3.39Å; M195-F198 PolarHBondContact O-N 2.88Å; M195-F198 HydrophobicContact SD-CD1 4.08Å; M195-I199 HydrophobicContact CG-CD1 4.14Å; M195-I199 VanDerWaalsContact O-CG1 3.32Å; M195-I199 WeakPolarHBondContact O-CG1 3.46Å; M195-I199 PolarHBondContact O-N 3.35Å
196N89.5Confident89Confident69 Ų6948.1 Ų48.137%0.36922%0.221SC..Hα-helixtrans-65.2-41.3175.8-75.4-33.6000111.9E192 E193 F198 I199 Q200E192-N196 WeakPolarHBondContact O-CB 2.89Å; E192-N196 VanDerWaalsContact O-CG 3.31Å; E192-N196 PolarHBondContact O-N 3.47Å; E192-N196 PolarHBondContact O-ND2 2.88Å; E193-N196 PolarHBondContact O-N 3.11Å; N196-F198 VanDerWaalsContact C-N 3.33Å; N196-F198 PolarHBondContact O-N 3.1Å; N196-I199 PolarHBondContact O-N 3.28Å; N196-Q200 WeakPolarHBondContact O-CG 3.47Å; N196-Q200 PolarHBondContact O-N 2.87Å
197C90Very high89.8Confident24 Ų2446.8 Ų46.816%0.16221%0.213CC..Hα-helixtrans-59-44.1170.7-73.30000111.7E193 A194 I199 Q200 M201 M511E193-C197 PolarHBondContact O-N 3.39Å; A194-C197 WeakPolarHBondContact O-CB 3.34Å; A194-C197 PolarHBondContact O-N 3.24Å; C197-I199 PolarHBondContact O-N 3.01Å; C197-Q200 PolarHBondContact O-N 3.49Å; C197-M201 PolarHBondContact O-N 3.42Å; C197-M511 HydrophobicContact CB-CE 4.48Å
198F93.3Very high90.3Very high0 Ų048.4 Ų48.40%023%0.225CC..Hα-helixtrans-58.9-49.1176.1-178.2-113.9000111.4F139 L150 A153 T154 L165 I167 A194 M195 N196 Q200 M201 I202 M511F139-F198 AromaticContact CE2-CE1 3.96Å; F139-F198 HydrophobicContact CE2-CE1 3.96Å; F139-F198 HydrophobicContact CE2-CZ 4.24Å; F139-F198 HydrophobicContact CZ-CE1 4.38Å; F139-F198 HydrophobicContact CZ-CZ 4.47Å; L150-F198 HydrophobicContact CD1-CB 3.75Å; L150-F198 HydrophobicContact CD1-CD1 3.68Å; L150-F198 HydrophobicContact CD1-CD2 3.76Å; L150-F198 HydrophobicContact CD1-CE1 4.18Å; L150-F198 HydrophobicContact CD1-CE2 4.28Å; L150-F198 HydrophobicContact CD1-CG 3.45Å; L150-F198 VanDerWaalsContact CD1-CG 3.45Å; L150-F198 HydrophobicContact CD1-CZ 4.47Å; A153-F198 HydrophobicContact CB-CE2 4.01Å; A153-F198 HydrophobicContact CB-CZ 3.73Å; T154-F198 WeakPolarHBondContact OG1-CD2 3.41Å; L165-F198 HydrophobicContact CD1-CE1 3.77Å; L165-F198 HydrophobicContact CD1-CZ 3.64Å; L165-F198 HydrophobicContact CD2-CZ 4.49Å; I167-F198 HydrophobicContact CD1-CD1 4.27Å; I167-F198 HydrophobicContact CD1-CE1 4.34Å; A194-F198 PolarHBondContact O-N 3.43Å; M195-F198 WeakPolarHBondContact O-CB 3.39Å; M195-F198 PolarHBondContact O-N 2.88Å; M195-F198 HydrophobicContact SD-CD1 4.08Å; N196-F198 VanDerWaalsContact C-N 3.33Å; N196-F198 PolarHBondContact O-N 3.1Å; F198-Q200 VanDerWaalsContact C-N 3.32Å; F198-Q200 PolarHBondContact O-N 2.93Å; F198-M201 HydrophobicContact CD2-CE 3.3Å; F198-M201 HydrophobicContact CE2-CE 3.56Å; F198-M201 HydrophobicContact CG-CE 4.39Å; F198-M201 WeakPolarHBondContact O-CB 3.43Å; F198-M201 PolarHBondContact O-N 3.06Å; F198-I202 HydrophobicContact CD1-CG1 4.21Å; F198-I202 HydrophobicContact CD2-CG1 4.29Å; F198-I202 HydrophobicContact CE1-CD1 4.46Å; F198-I202 HydrophobicContact CE1-CG1 3.9Å; F198-I202 HydrophobicContact CE2-CD1 3.89Å; F198-I202 HydrophobicContact CE2-CG1 3.97Å; F198-I202 HydrophobicContact CG-CG1 4.39Å; F198-I202 HydrophobicContact CZ-CD1 3.82Å; F198-I202 HydrophobicContact CZ-CG1 3.76Å; F198-I202 VanDerWaalsContact O-CG1 3.28Å; F198-I202 WeakPolarHBondContact O-CG1 3.34Å; F198-I202 PolarHBondContact O-N 3.25Å; F198-M511 HydrophobicContact CB-CE 3.55Å; F198-M511 HydrophobicContact CD2-CE 4.1Å; F198-M511 HydrophobicContact CG-CE 4.3Å
199I92.3Very high90.9Very high43 Ų4345.7 Ų45.722%0.22122%0.218CC..Hα-helixtrans-59.6-41.4179.4-70.3165.9000111.6I167 M195 N196 C197 I202 K203I167-I199 HydrophobicContact CD1-CD1 4.02Å; I167-I199 HydrophobicContact CD1-CG1 3.55Å; M195-I199 HydrophobicContact CG-CD1 4.14Å; M195-I199 VanDerWaalsContact O-CG1 3.32Å; M195-I199 WeakPolarHBondContact O-CG1 3.46Å; M195-I199 PolarHBondContact O-N 3.35Å; N196-I199 PolarHBondContact O-N 3.28Å; C197-I199 PolarHBondContact O-N 3.01Å; I199-I202 PolarHBondContact O-N 3.46Å; I199-K203 HydrophobicContact CG2-CD 4.32Å; I199-K203 WeakPolarHBondContact O-CG 3.48Å; I199-K203 PolarHBondContact O-N 3.44Å
200Q90.2Very high91.6Very high36 Ų3643.5 Ų43.517%0.16821%0.21CC..Hα-helixtrans-62.1-46176.5-73.5175.538.200111.7N196 C197 F198 I202 K203 R204N196-Q200 WeakPolarHBondContact O-CG 3.47Å; N196-Q200 PolarHBondContact O-N 2.87Å; C197-Q200 PolarHBondContact O-N 3.49Å; F198-Q200 VanDerWaalsContact C-N 3.32Å; F198-Q200 PolarHBondContact O-N 2.93Å; Q200-I202 PolarHBondContact O-N 3.17Å; Q200-K203 PolarHBondContact O-N 2.87Å; Q200-R204 WeakPolarHBondContact O-CB 3.22Å; Q200-R204 PolarHBondContact O-N 3.38Å
201M92.7Very high91.9Very high10 Ų1044.6 Ų44.65%0.04922%0.222CC..Hα-helixtrans-58.4-45.5174.6169.7-178.37500112T154 C197 F198 K203 R204 L205 Y515T154-M201 HydrophobicContact CG2-CE 3.77Å; T154-M201 HydrophobicContact CG2-SD 4Å; C197-M201 PolarHBondContact O-N 3.42Å; F198-M201 HydrophobicContact CD2-CE 3.3Å; F198-M201 HydrophobicContact CE2-CE 3.56Å; F198-M201 HydrophobicContact CG-CE 4.39Å; F198-M201 WeakPolarHBondContact O-CB 3.43Å; F198-M201 PolarHBondContact O-N 3.06Å; M201-K203 PolarHBondContact O-N 2.68Å; M201-R204 PolarHBondContact O-N 2.96Å; M201-L205 HydrophobicContact CG-CD1 4.03Å; M201-L205 WeakPolarHBondContact O-CB 3.38Å; M201-L205 WeakPolarHBondContact O-CG 3.18Å; M201-L205 PolarHBondContact O-N 2.94Å; M201-Y515 HydrophobicContact CG-CD2 4.43Å; M201-Y515 HydrophobicContact CG-CE2 4.16Å; M201-Y515 HydrophobicContact SD-CD2 3.34Å; M201-Y515 WeakPolarHBondContact SD-CD2 3.27Å; M201-Y515 HydrophobicContact SD-CE2 3.64Å; M201-Y515 HydrophobicContact SD-CG 4.28Å
202I94Very high92.1Very high3 Ų349 Ų492%0.01524%0.242CC..Hα-helixtrans-62.1-43.3178.9-68.9-51.9000111.6A157 L165 F198 I199 Q200 L205 K206 I207 C209A157-I202 HydrophobicContact CB-CD1 4.05Å; L165-I202 HydrophobicContact CD1-CB 4.28Å; L165-I202 HydrophobicContact CD1-CD1 3.42Å; L165-I202 VanDerWaalsContact CD1-CD1 3.42Å; L165-I202 HydrophobicContact CD1-CG1 3.47Å; L165-I202 VanDerWaalsContact CD1-CG1 3.47Å; L165-I202 HydrophobicContact CD1-CG2 3.79Å; F198-I202 HydrophobicContact CD1-CG1 4.21Å; F198-I202 HydrophobicContact CD2-CG1 4.29Å; F198-I202 HydrophobicContact CE1-CD1 4.46Å; F198-I202 HydrophobicContact CE1-CG1 3.9Å; F198-I202 HydrophobicContact CE2-CD1 3.89Å; F198-I202 HydrophobicContact CE2-CG1 3.97Å; F198-I202 HydrophobicContact CG-CG1 4.39Å; F198-I202 HydrophobicContact CZ-CD1 3.82Å; F198-I202 HydrophobicContact CZ-CG1 3.76Å; F198-I202 VanDerWaalsContact O-CG1 3.28Å; F198-I202 WeakPolarHBondContact O-CG1 3.34Å; F198-I202 PolarHBondContact O-N 3.25Å; I199-I202 PolarHBondContact O-N 3.46Å; Q200-I202 PolarHBondContact O-N 3.17Å; I202-L205 CarbonylContact O-C 3.57Å; I202-L205 PolarHBondContact O-N 3.35Å; I202-K206 PolarHBondContact O-N 3.29Å; I202-I207 HydrophobicContact CD1-CB 4.25Å; I202-I207 HydrophobicContact CD1-CD1 3.73Å; I202-I207 HydrophobicContact CD1-CG2 4.29Å; I202-I207 HydrophobicContact CG2-CB 3.92Å; I202-I207 HydrophobicContact CG2-CG2 4.17Å; I202-I207 WeakPolarHBondContact CG2-O 3.29Å; I202-I207 PolarHBondContact O-N 2.83Å; I202-I207 VanDerWaalsContact O-N 3.08Å; I202-C209 HydrophobicContact CG2-CB 3.92Å
203K92.1Very high92.5Very high111 Ų11145.7 Ų45.748%0.48323%0.227SC..Hα-helixtrans-60.1-46.8174-75.1177.3178.9-179.50111.5I199 Q200 M201 L205 K206I199-K203 HydrophobicContact CG2-CD 4.32Å; I199-K203 WeakPolarHBondContact O-CG 3.48Å; I199-K203 PolarHBondContact O-N 3.44Å; Q200-K203 PolarHBondContact O-N 2.87Å; M201-K203 PolarHBondContact O-N 2.68Å; K203-L205 VanDerWaalsContact C-N 3.3Å; K203-L205 PolarHBondContact O-N 2.95Å; K203-K206 PolarHBondContact O-N 2.92Å
204R92.5Very high93Very high76 Ų7650.7 Ų50.729%0.28725%0.248SC..Hα-helixtrans-60-40.1177.8176.4172.152.771-1112.1Q200 M201 K206 E483 Y515Q200-R204 WeakPolarHBondContact O-CB 3.22Å; Q200-R204 PolarHBondContact O-N 3.38Å; M201-R204 PolarHBondContact O-N 2.96Å; R204-K206 VanDerWaalsContact C-N 3.26Å; R204-K206 PolarHBondContact O-N 3.41Å; R204-E483 IonicContact CZ-OE1 3.75Å; R204-E483 IonicContact NE-OE1 2.8Å; R204-E483 PolarHBondContact NE-OE1 3.49Å; R204-E483 IonicContact NH2-OE1 2.74Å; R204-E483 PolarHBondContact NH2-OE1 3.31Å; R204-Y515 PolarHBondContact NH1-OH 3.28Å
205L93.4Very high93.2Very high54 Ų5452.8 Ų52.828%0.28326%0.261SS..THydrogen-bonded Turntrans-79.8-3.9176.9-67.3179.3000114.2A157 M201 I202 K203 I207 Y515A157-L205 HydrophobicContact CB-CD1 3.96Å; M201-L205 HydrophobicContact CG-CD1 4.03Å; M201-L205 WeakPolarHBondContact O-CB 3.38Å; M201-L205 WeakPolarHBondContact O-CG 3.18Å; M201-L205 PolarHBondContact O-N 2.94Å; I202-L205 CarbonylContact O-C 3.57Å; I202-L205 PolarHBondContact O-N 3.35Å; K203-L205 VanDerWaalsContact C-N 3.3Å; K203-L205 PolarHBondContact O-N 2.95Å; L205-I207 HydrophobicContact CB-CD1 3.84Å; L205-I207 HydrophobicContact CB-CG1 3.95Å; L205-I207 HydrophobicContact CD1-CD1 3.87Å; L205-I207 PolarHBondContact O-N 3.47Å; L205-Y515 HydrophobicContact CD1-CE2 4.05Å
206K94.3Very high93.4Very high185 Ų18552.1 Ų52.180%0.80426%0.258SS*.THydrogen-bonded Turntrans55.934.8-177-53.8-178.2179.3-177.10112.9I202 K203 R204I202-K206 PolarHBondContact O-N 3.29Å; K203-K206 PolarHBondContact O-N 2.92Å; R204-K206 VanDerWaalsContact C-N 3.26Å; R204-K206 PolarHBondContact O-N 3.41Å
207I95.9Very high93.6Very high25 Ų2548.8 Ų48.813%0.12824%0.24CC..  trans-78.9129.6176.4-70.4168.4000108.6A157 L163 L165 I202 L205 C209A157-I207 HydrophobicContact CB-CD1 3.52Å; L163-I207 HydrophobicContact CB-CG2 4.19Å; L163-I207 HydrophobicContact CD2-CD1 4.36Å; L163-I207 HydrophobicContact CD2-CG2 4.32Å; L163-I207 HydrophobicContact CG-CG2 4.35Å; L165-I207 HydrophobicContact CD1-CG2 4.05Å; L165-I207 HydrophobicContact CG-CG2 4.12Å; I202-I207 HydrophobicContact CD1-CB 4.25Å; I202-I207 HydrophobicContact CD1-CD1 3.73Å; I202-I207 HydrophobicContact CD1-CG2 4.29Å; I202-I207 HydrophobicContact CG2-CB 3.92Å; I202-I207 HydrophobicContact CG2-CG2 4.17Å; I202-I207 WeakPolarHBondContact CG2-O 3.29Å; I202-I207 PolarHBondContact O-N 2.83Å; I202-I207 VanDerWaalsContact O-N 3.08Å; L205-I207 HydrophobicContact CB-CD1 3.84Å; L205-I207 HydrophobicContact CB-CG1 3.95Å; L205-I207 HydrophobicContact CD1-CD1 3.87Å; L205-I207 PolarHBondContact O-N 3.47Å; I207-C209 PolarHBondContact O-N 3.13Å
208P95.5Very high93.7Very high42 Ų4250 Ų5027%0.27325%0.245SC..  trans-59.6124.1178.8-23.533.5000112L165 F210 F219L165-P208 PolarHBondContact N-O 3.16Å; P208-F210 HydrophobicContact CB-CE2 3.79Å; P208-F210 HydrophobicContact CB-CZ 4.21Å; P208-F219 HydrophobicContact CB-CD1 4.08Å; P208-F219 HydrophobicContact CB-CE1 3.49Å; P208-F219 VanDerWaalsContact CB-CE1 3.49Å; P208-F219 HydrophobicContact CB-CZ 3.97Å; P208-F219 HydrophobicContact CG-CE1 3.52Å; P208-F219 HydrophobicContact CG-CZ 3.86Å
209C95.7Very high93.6Very high26 Ų2653 Ų5318%0.17626%0.258CS..EExtended strand (participates in β ladder)trans-136.2129-178.3-1730000110.8L165 I202 I207L165-C209 HydrophobicContact CB-CB 4.11Å; L165-C209 CarbonylContact O-C 3.56Å; L165-C209 WeakPolarHBondContact O-CA 3.46Å; I202-C209 HydrophobicContact CG2-CB 3.92Å; I207-C209 PolarHBondContact O-N 3.13Å
210F95.6Very high93.5Very high24 Ų2451 Ų5111%0.10525%0.249CC..EExtended strand (participates in β ladder)trans-124.9164.7-175.3-56.1-86.8000111.5V164 L165 C166 I167 P208 T215 A216 F219V164-F210 HydrophobicContact CG1-CD2 4.27Å; V164-F210 HydrophobicContact CG1-CE2 4.09Å; L165-F210 PolarHBondContact O-N 3.33Å; C166-F210 CarbonylContact C-O 3.51Å; C166-F210 VanDerWaalsContact CA-O 3.26Å; C166-F210 WeakPolarHBondContact CA-O 3.28Å; I167-F210 PolarHBondContact N-O 3.04Å; P208-F210 HydrophobicContact CB-CE2 3.79Å; P208-F210 HydrophobicContact CB-CZ 4.21Å; F210-T215 HydrophobicContact CD1-CG2 3.77Å; F210-T215 HydrophobicContact CE1-CG2 4.27Å; F210-T215 HydrophobicContact CG-CG2 4.45Å; F210-A216 HydrophobicContact CB-CB 4.07Å; F210-A216 HydrophobicContact CD2-CB 3.7Å; F210-A216 HydrophobicContact CG-CB 4.13Å; F210-F219 HydrophobicContact CE1-CB 4.2Å; F210-F219 HydrophobicContact CE1-CD2 4.27Å; F210-F219 HydrophobicContact CE1-CG 4.22Å; F210-F219 HydrophobicContact CE2-CB 3.89Å; F210-F219 AromaticContact CE2-CD1 3.69Å; F210-F219 HydrophobicContact CE2-CD1 3.69Å; F210-F219 HydrophobicContact CE2-CD2 4.41Å; F210-F219 HydrophobicContact CE2-CE1 4.37Å; F210-F219 AromaticContact CE2-CG 3.73Å; F210-F219 HydrophobicContact CE2-CG 3.73Å; F210-F219 HydrophobicContact CZ-CB 3.56Å; F210-F219 AromaticContact CZ-CD1 3.65Å; F210-F219 HydrophobicContact CZ-CD1 3.65Å; F210-F219 AromaticContact CZ-CD2 3.54Å; F210-F219 HydrophobicContact CZ-CD2 3.54Å; F210-F219 HydrophobicContact CZ-CE1 4.25Å; F210-F219 HydrophobicContact CZ-CE2 4.13Å; F210-F219 AromaticContact CZ-CG 3.27Å; F210-F219 HydrophobicContact CZ-CG 3.27Å; F210-F219 HydrophobicContact CZ-CZ 4.46Å
211S92.6Very high93.1Very high57 Ų5749.6 Ų49.640%0.39924%0.242SC..SBendtrans-94.6-17173.551.30000113.8I167I167-S211 WeakPolarHBondContact O-CA 3.45Å
212E93Very high92.6Very high116 Ų11654.4 Ų54.454%0.54226%0.264SS..  trans-122.2131.4-176.9-67.9177.5-164.900111.3K214 T215 A216E212-K214 VanDerWaalsContact C-N 3.33Å; E212-K214 PolarHBondContact O-N 3.37Å; E212-T215 PolarHBondContact O-N 3.47Å; E212-T215 PolarHBondContact OE2-OG1 3.36Å; E212-A216 PolarHBondContact O-N 3.34Å
213V93.8Very high91.8Very high18 Ų1859.5 Ų59.511%0.10929%0.292CS..Hα-helixtrans-61.6-42.9-177.6-179.80000111.1W93 V97 V138 C166 T215 A216 V217W93-V213 HydrophobicContact CB-CG1 4.34Å; W93-V213 HydrophobicContact CB-CG2 3.98Å; W93-V213 HydrophobicContact CE3-CG1 3.93Å; W93-V213 HydrophobicContact CG-CG2 4.43Å; V97-V213 HydrophobicContact CB-CB 4.45Å; V97-V213 HydrophobicContact CB-CG1 4.11Å; V97-V213 HydrophobicContact CG1-CB 4.12Å; V97-V213 HydrophobicContact CG1-CG1 3.94Å; V138-V213 HydrophobicContact CG1-CG2 3.7Å; V138-V213 HydrophobicContact CG2-CG1 4.36Å; V138-V213 HydrophobicContact CG2-CG2 4.23Å; C166-V213 HydrophobicContact CB-CG2 4.46Å; C166-V213 PolarHBondContact SG-N 3.19Å; C166-V213 VanDerWaalsContact SG-N 3.37Å; V213-T215 VanDerWaalsContact C-N 3.31Å; V213-T215 PolarHBondContact O-N 3.49Å; V213-A216 PolarHBondContact O-N 3.04Å; V213-V217 HydrophobicContact CG1-CG2 4.27Å; V213-V217 VanDerWaalsContact O-CG2 3.3Å; V213-V217 WeakPolarHBondContact O-CG2 3.48Å; V213-V217 PolarHBondContact O-N 3.43Å
214K95.1Very high90.9Very high129 Ų12955.3 Ų55.356%0.56128%0.276SS*.Hα-helixtrans-58.6-43.1178.7-177.7174.1-179.7-177.70111.8V97 I101 E212 N218V97-K214 HydrophobicContact CG1-CB 3.88Å; I101-K214 HydrophobicContact CD1-CB 4.43Å; I101-K214 HydrophobicContact CD1-CG 3.96Å; E212-K214 VanDerWaalsContact C-N 3.33Å; E212-K214 PolarHBondContact O-N 3.37Å; K214-N218 WeakPolarHBondContact O-CB 3.4Å; K214-N218 VanDerWaalsContact O-CG 3.27Å; K214-N218 PolarHBondContact O-N 3.2Å; K214-N218 PolarHBondContact O-ND2 3.39Å; K214-N218 VanDerWaalsContact O-ND2 3.12Å
215T95.3Very high89.5Confident46 Ų4656.5 Ų56.528%0.28229%0.285SS..Hα-helixtrans-68.3-42179-59.70000111.2F210 E212 V213 N218 F219F210-T215 HydrophobicContact CD1-CG2 3.77Å; F210-T215 HydrophobicContact CE1-CG2 4.27Å; F210-T215 HydrophobicContact CG-CG2 4.45Å; E212-T215 PolarHBondContact O-N 3.47Å; E212-T215 PolarHBondContact OE2-OG1 3.36Å; V213-T215 VanDerWaalsContact C-N 3.31Å; V213-T215 PolarHBondContact O-N 3.49Å; T215-N218 PolarHBondContact O-N 3.24Å; T215-F219 WeakPolarHBondContact O-CB 2.86Å; T215-F219 PolarHBondContact O-N 3.05Å
216A95.3Very high87.8Confident0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-60.4-47.6175.200000112.6L136 V164 C166 F210 E212 V213 F219 A220L136-A216 HydrophobicContact CD1-CB 4.07Å; V164-A216 HydrophobicContact CG1-CB 4.22Å; C166-A216 HydrophobicContact CB-CB 4.07Å; F210-A216 HydrophobicContact CB-CB 4.07Å; F210-A216 HydrophobicContact CD2-CB 3.7Å; F210-A216 HydrophobicContact CG-CB 4.13Å; E212-A216 PolarHBondContact O-N 3.34Å; V213-A216 PolarHBondContact O-N 3.04Å; A216-F219 PolarHBondContact O-N 2.84Å; A216-A220 WeakPolarHBondContact O-CB 2.94Å; A216-A220 PolarHBondContact O-N 3.47Å
217V93.8Very high85.7Confident0 Ų052.6 Ų52.60%026%0.262CS..Hα-helixtrans-61.2-49.1177.7174.90000110.2A98 I101 L102 L136 V213 F219 A220 V221A98-V217 HydrophobicContact CB-CG2 4.11Å; I101-V217 HydrophobicContact CB-CG1 4.17Å; I101-V217 HydrophobicContact CD1-CG1 4.37Å; I101-V217 HydrophobicContact CG2-CG1 3.67Å; L102-V217 HydrophobicContact CD2-CG1 4.19Å; L136-V217 HydrophobicContact CD2-CG2 3.65Å; V213-V217 HydrophobicContact CG1-CG2 4.27Å; V213-V217 VanDerWaalsContact O-CG2 3.3Å; V213-V217 WeakPolarHBondContact O-CG2 3.48Å; V213-V217 PolarHBondContact O-N 3.43Å; V217-F219 PolarHBondContact O-N 2.82Å; V217-A220 WeakPolarHBondContact O-CB 3.32Å; V217-A220 PolarHBondContact O-N 3.4Å; V217-V221 HydrophobicContact CG1-CG2 4.42Å; V217-V221 VanDerWaalsContact O-CG2 3.28Å; V217-V221 WeakPolarHBondContact O-CG2 3.47Å; V217-V221 PolarHBondContact O-N 3.37Å
218N91.4Very high83.4Confident49 Ų4958.1 Ų58.126%0.26229%0.285SS..Hα-helixtrans-60-46178.5-73.9-32.4000111.5K214 T215 A220 V221 H222K214-N218 WeakPolarHBondContact O-CB 3.4Å; K214-N218 VanDerWaalsContact O-CG 3.27Å; K214-N218 PolarHBondContact O-N 3.2Å; K214-N218 PolarHBondContact O-ND2 3.39Å; K214-N218 VanDerWaalsContact O-ND2 3.12Å; T215-N218 PolarHBondContact O-N 3.24Å; N218-A220 VanDerWaalsContact C-N 3.34Å; N218-A220 PolarHBondContact O-N 3.44Å; N218-V221 PolarHBondContact O-N 2.97Å; N218-H222 PolarHBondContact O-N 2.93Å; N218-H222 PolarHBondContact O-ND1 2.92Å
219F91Very high81.2Confident62 Ų6260.3 Ų60.327%0.27229%0.29SS..Hα-helixtrans-57-47.4176.8173.4-87.9000111.9P208 F210 T215 A216 V217 V221 H222 N223P208-F219 HydrophobicContact CB-CD1 4.08Å; P208-F219 HydrophobicContact CB-CE1 3.49Å; P208-F219 VanDerWaalsContact CB-CE1 3.49Å; P208-F219 HydrophobicContact CB-CZ 3.97Å; P208-F219 HydrophobicContact CG-CE1 3.52Å; P208-F219 HydrophobicContact CG-CZ 3.86Å; F210-F219 HydrophobicContact CE1-CB 4.2Å; F210-F219 HydrophobicContact CE1-CD2 4.27Å; F210-F219 HydrophobicContact CE1-CG 4.22Å; F210-F219 HydrophobicContact CE2-CB 3.89Å; F210-F219 AromaticContact CE2-CD1 3.69Å; F210-F219 HydrophobicContact CE2-CD1 3.69Å; F210-F219 HydrophobicContact CE2-CD2 4.41Å; F210-F219 HydrophobicContact CE2-CE1 4.37Å; F210-F219 AromaticContact CE2-CG 3.73Å; F210-F219 HydrophobicContact CE2-CG 3.73Å; F210-F219 HydrophobicContact CZ-CB 3.56Å; F210-F219 AromaticContact CZ-CD1 3.65Å; F210-F219 HydrophobicContact CZ-CD1 3.65Å; F210-F219 AromaticContact CZ-CD2 3.54Å; F210-F219 HydrophobicContact CZ-CD2 3.54Å; F210-F219 HydrophobicContact CZ-CE1 4.25Å; F210-F219 HydrophobicContact CZ-CE2 4.13Å; F210-F219 AromaticContact CZ-CG 3.27Å; F210-F219 HydrophobicContact CZ-CG 3.27Å; F210-F219 HydrophobicContact CZ-CZ 4.46Å; T215-F219 WeakPolarHBondContact O-CB 2.86Å; T215-F219 PolarHBondContact O-N 3.05Å; A216-F219 PolarHBondContact O-N 2.84Å; V217-F219 PolarHBondContact O-N 2.82Å; F219-V221 VanDerWaalsContact C-N 3.33Å; F219-V221 PolarHBondContact O-N 3.12Å; F219-H222 PolarHBondContact O-N 3.09Å; F219-N223 WeakPolarHBondContact CD2-ND2 3.46Å; F219-N223 HydrophobicContact CE1-CB 4.24Å; F219-N223 HydrophobicContact CE2-CB 4.49Å; F219-N223 WeakPolarHBondContact CE2-ND2 3.5Å; F219-N223 HydrophobicContact CZ-CB 4.14Å; F219-N223 WeakPolarHBondContact O-CB 3.32Å; F219-N223 PolarHBondContact O-N 3.32Å; F219-N223 PolarHBondContact O-ND2 3.29Å
220A90.6Very high78.9Confident3 Ų362.8 Ų62.83%0.02530%0.298CS..Hα-helixtrans-59.3-43.6179.900000112F82 I134 V164 A216 V217 N218 S224F82-A220 HydrophobicContact CE1-CB 3.57Å; F82-A220 HydrophobicContact CZ-CB 3.71Å; I134-A220 HydrophobicContact CD1-CB 3.9Å; I134-A220 WeakPolarHBondContact CD1-O 3.12Å; I134-A220 HydrophobicContact CG2-CB 4.15Å; V164-A220 HydrophobicContact CG1-CB 4.42Å; V164-A220 HydrophobicContact CG2-CB 4.07Å; A216-A220 WeakPolarHBondContact O-CB 2.94Å; A216-A220 PolarHBondContact O-N 3.47Å; V217-A220 WeakPolarHBondContact O-CB 3.32Å; V217-A220 PolarHBondContact O-N 3.4Å; N218-A220 VanDerWaalsContact C-N 3.34Å; N218-A220 PolarHBondContact O-N 3.44Å; A220-S224 VanDerWaalsContact O-CB 3.27Å; A220-S224 WeakPolarHBondContact O-CB 3.29Å; A220-S224 PolarHBondContact O-N 2.97Å; A220-S224 PolarHBondContact O-OG 3.33Å
221V81.9Confident76.3Confident6 Ų665.4 Ų65.44%0.03632%0.324CS..Hα-helixtrans-62.5-44.5175.9171.50000111.7F82 L105 L107 V217 N218 F219 S224 F230F82-V221 HydrophobicContact CE2-CG2 4.03Å; F82-V221 HydrophobicContact CZ-CG2 3.74Å; L105-V221 HydrophobicContact CD1-CG1 4.08Å; L105-V221 HydrophobicContact CD1-CG2 4.18Å; L107-V221 HydrophobicContact CD1-CG2 3.82Å; V217-V221 HydrophobicContact CG1-CG2 4.42Å; V217-V221 VanDerWaalsContact O-CG2 3.28Å; V217-V221 WeakPolarHBondContact O-CG2 3.47Å; V217-V221 PolarHBondContact O-N 3.37Å; N218-V221 PolarHBondContact O-N 2.97Å; F219-V221 VanDerWaalsContact C-N 3.33Å; F219-V221 PolarHBondContact O-N 3.12Å; V221-S224 PolarHBondContact O-OG 3.18Å; V221-F230 HydrophobicContact CG1-CD2 4.21Å; V221-F230 HydrophobicContact CG1-CE2 3.29Å; V221-F230 HydrophobicContact CG1-CZ 3.48Å; V221-F230 VanDerWaalsContact CG1-CZ 3.48Å
222H81.9Confident73.9Confident110 Ų11065.7 Ų65.751%0.50932%0.319SS..Hα-helixtrans-76.5-30.3-174.7-72.879.8000114.2N218 F219 R227N218-H222 PolarHBondContact O-N 2.93Å; N218-H222 PolarHBondContact O-ND1 2.92Å; F219-H222 PolarHBondContact O-N 3.09Å; H222-R227 WeakPolarHBondContact O-CD 3.46Å
223N76.5Confident71.3Confident110 Ų11066.7 Ų66.759%0.58833%0.333SS*.Hα-helixtrans-99.81.6-174.3-70.1-85.8000114F219F219-N223 WeakPolarHBondContact CD2-ND2 3.46Å; F219-N223 HydrophobicContact CE1-CB 4.24Å; F219-N223 HydrophobicContact CE2-CB 4.49Å; F219-N223 WeakPolarHBondContact CE2-ND2 3.5Å; F219-N223 HydrophobicContact CZ-CB 4.14Å; F219-N223 WeakPolarHBondContact O-CB 3.32Å; F219-N223 PolarHBondContact O-N 3.32Å; F219-N223 PolarHBondContact O-ND2 3.29Å
224S73.8Confident69.1Low23 Ų2368.1 Ų68.116%0.16134%0.34CS..SBendtrans-100.7167.8173.9580000111.1A220 V221 L226 R227A220-S224 VanDerWaalsContact O-CB 3.27Å; A220-S224 WeakPolarHBondContact O-CB 3.29Å; A220-S224 PolarHBondContact O-N 2.97Å; A220-S224 PolarHBondContact O-OG 3.33Å; V221-S224 PolarHBondContact O-OG 3.18Å; S224-L226 PolarHBondContact O-N 3.01Å; S224-L226 VanDerWaalsContact OG-CB 3.24Å; S224-L226 WeakPolarHBondContact OG-CB 3.45Å; S224-L226 WeakPolarHBondContact OG-CD1 3.45Å; S224-L226 VanDerWaalsContact OG-CG 3.24Å; S224-L226 WeakPolarHBondContact OG-CG 3.43Å; S224-L226 PolarHBondContact OG-N 3.27Å; S224-R227 WeakPolarHBondContact O-CB 3.15Å; S224-R227 PolarHBondContact O-N 3.31Å
225H63.7Low67.2Low102 Ų10265.1 Ų65.147%0.47233%0.333SS..THydrogen-bonded Turntrans-59.5-14170.969.9-87.2000112.5D133 R227 F228D133-H225 VanDerWaalsContact CG-CE1 3.41Å; D133-H225 IonicContact OD1-CE1 3.38Å; D133-H225 IonicContact OD2-CE1 3.23Å; D133-H225 IonicContact OD2-NE2 3.83Å; D133-H225 PolarHBondContact OD2-NE2 3.19Å; H225-R227 PolarHBondContact O-N 3.47Å; H225-F228 PolarHBondContact O-N 3.07Å; H225-F228 VanDerWaalsContact O-N 3.16Å
226L57Low65.2Low0 Ų068.9 Ų68.90%035%0.351CS..Hα-helixtrans-58.8-25.8172.4-51.6178.8000111.6D81 F82 L107 I134 S224 F228 K229 F230D81-L226 HydrophobicContact CB-CD1 3.87Å; D81-L226 HydrophobicContact CB-CD2 4.08Å; D81-L226 WeakPolarHBondContact OD1-CD2 3.29Å; F82-L226 HydrophobicContact CD2-CD1 4.3Å; F82-L226 HydrophobicContact CE2-CD1 3.61Å; F82-L226 HydrophobicContact CZ-CD1 4.36Å; L107-L226 HydrophobicContact CD1-CD1 4.47Å; L107-L226 HydrophobicContact CD2-CB 4.5Å; L107-L226 HydrophobicContact CD2-CD1 4.46Å; L107-L226 HydrophobicContact CD2-CD2 4.49Å; I134-L226 HydrophobicContact CD1-CD1 3.76Å; I134-L226 HydrophobicContact CG1-CD1 4.48Å; S224-L226 PolarHBondContact O-N 3.01Å; S224-L226 VanDerWaalsContact OG-CB 3.24Å; S224-L226 WeakPolarHBondContact OG-CB 3.45Å; S224-L226 WeakPolarHBondContact OG-CD1 3.45Å; S224-L226 VanDerWaalsContact OG-CG 3.24Å; S224-L226 WeakPolarHBondContact OG-CG 3.43Å; S224-L226 PolarHBondContact OG-N 3.27Å; L226-F228 PolarHBondContact O-N 2.59Å; L226-F228 VanDerWaalsContact O-N 3.15Å; L226-K229 HydrophobicContact CD2-CD 3.88Å; L226-K229 WeakPolarHBondContact O-CA 3.34Å; L226-K229 VanDerWaalsContact O-CB 3.29Å; L226-K229 WeakPolarHBondContact O-CB 3.35Å; L226-K229 PolarHBondContact O-N 2.84Å; L226-F230 HydrophobicContact CB-CE2 4.33Å; L226-F230 WeakPolarHBondContact O-CD2 3.2Å; L226-F230 WeakPolarHBondContact O-CE2 3.31Å
227R50.3Low63.5Low157 Ų15776.6 Ų76.659%0.59238%0.384SS*.Hα-helixtrans-51.5-38.4173.8-172.8176.2172.9-179.9-1.6112.7H222 S224 H225 F230 A231H222-R227 WeakPolarHBondContact O-CD 3.46Å; S224-R227 WeakPolarHBondContact O-CB 3.15Å; S224-R227 PolarHBondContact O-N 3.31Å; H225-R227 PolarHBondContact O-N 3.47Å; R227-F230 WeakPolarHBondContact O-CB 2.78Å; R227-F230 PolarHBondContact O-N 3.48Å; R227-A231 PolarHBondContact O-N 3.06Å
228F47.8Very low61.7Low141 Ų14178.1 Ų78.162%0.61839%0.392SS*.Hα-helixtrans-76.2-24.6179.3-62.1-76000112.8H225 L226 F230 A231 E232H225-F228 PolarHBondContact O-N 3.07Å; H225-F228 VanDerWaalsContact O-N 3.16Å; L226-F228 PolarHBondContact O-N 2.59Å; L226-F228 VanDerWaalsContact O-N 3.15Å; F228-F230 PolarHBondContact O-N 3.04Å; F228-F230 VanDerWaalsContact O-N 3.17Å; F228-A231 PolarHBondContact O-N 2.73Å; F228-E232 PolarHBondContact O-N 3.05Å
229K50Low60.2Low87 Ų8780.4 Ų80.438%0.37840%0.397SS..Hα-helixtrans-62.2-18.4169.2-63.3-174-178.6175.70112.3D81 L226D81-K229 IonicContact OD1-NZ 2.93Å; D81-K229 PolarHBondContact OD1-NZ 3.46Å; L226-K229 HydrophobicContact CD2-CD 3.88Å; L226-K229 WeakPolarHBondContact O-CA 3.34Å; L226-K229 VanDerWaalsContact O-CB 3.29Å; L226-K229 WeakPolarHBondContact O-CB 3.35Å; L226-K229 PolarHBondContact O-N 2.84Å
230F46.2Very low58.8Low78 Ų7881 Ų8134%0.34240%0.401SS..Hα-helixtrans-92.1-33.2175.7-61.2-75.9000114.8L105 L107 V221 L226 R227 F228L105-F230 HydrophobicContact CB-CE1 3.61Å; L105-F230 HydrophobicContact CB-CZ 3.97Å; L105-F230 HydrophobicContact CD1-CE1 4.02Å; L105-F230 HydrophobicContact CD1-CZ 3.94Å; L105-F230 HydrophobicContact CD2-CD1 4.14Å; L105-F230 HydrophobicContact CD2-CE1 3.5Å; L105-F230 HydrophobicContact CD2-CZ 4.26Å; L105-F230 HydrophobicContact CG-CE1 3.86Å; L105-F230 HydrophobicContact CG-CZ 4.25Å; L107-F230 HydrophobicContact CD1-CE2 4.46Å; L107-F230 HydrophobicContact CD1-CZ 3.74Å; L107-F230 HydrophobicContact CD2-CZ 4.08Å; L107-F230 HydrophobicContact CG-CZ 3.99Å; V221-F230 HydrophobicContact CG1-CD2 4.21Å; V221-F230 HydrophobicContact CG1-CE2 3.29Å; V221-F230 HydrophobicContact CG1-CZ 3.48Å; V221-F230 VanDerWaalsContact CG1-CZ 3.48Å; L226-F230 HydrophobicContact CB-CE2 4.33Å; L226-F230 WeakPolarHBondContact O-CD2 3.2Å; L226-F230 WeakPolarHBondContact O-CE2 3.31Å; R227-F230 WeakPolarHBondContact O-CB 2.78Å; R227-F230 PolarHBondContact O-N 3.48Å; F228-F230 PolarHBondContact O-N 3.04Å; F228-F230 VanDerWaalsContact O-N 3.17Å
231A41.8Very low57.7Low79 Ų7981.7 Ų81.765%0.65340%0.404SS*.Hα-helixtrans-78.9-29.9-172.400000112.4R227 F228R227-A231 PolarHBondContact O-N 3.06Å; F228-A231 PolarHBondContact O-N 2.73Å
232E41.5Very low56.8Low64 Ų6484 Ų8430%0.29942%0.415SS..SBendtrans-103.5115.1176.5-77.6163.6-15500109.2M36 F228 I234M36-E232 WeakPolarHBondContact CE-OE1 3.48Å; F228-E232 PolarHBondContact O-N 3.05Å; E232-I234 HydrophobicContact CB-CD1 4.14Å; E232-I234 HydrophobicContact CB-CG1 3.95Å; E232-I234 PolarHBondContact O-N 3.27Å; E232-I234 VanDerWaalsContact OE2-CD1 3.31Å; E232-I234 WeakPolarHBondContact OE2-CD1 3.41Å
233T38.8Very low55.9Low137 Ų13782.2 Ų82.284%0.8441%0.409SS*.  trans-65.654.1157.3-34.10000109.5T235T233-T235 PolarHBondContact O-N 2.5Å
234I48.4Very low55.6Low48 Ų4877.8 Ų77.825%0.24639%0.385CS..  trans-56.2109.1157-78.8167.3000103.1E232 D238 R239E232-I234 HydrophobicContact CB-CD1 4.14Å; E232-I234 HydrophobicContact CB-CG1 3.95Å; E232-I234 PolarHBondContact O-N 3.27Å; E232-I234 VanDerWaalsContact OE2-CD1 3.31Å; E232-I234 WeakPolarHBondContact OE2-CD1 3.41Å; I234-D238 HydrophobicContact CB-CB 4.3Å; I234-D238 HydrophobicContact CG2-CB 3.54Å; I234-R239 HydrophobicContact CG2-CB 3.85Å; I234-R239 VanDerWaalsContact CG2-N 3.31Å
235T53.4Low55.5Low66 Ų6677.7 Ų77.741%0.40538%0.383SS..  trans-58.4153.3177.366.90000107.6T233 K237 D238 R239T233-T235 PolarHBondContact O-N 2.5Å; T235-K237 PolarHBondContact O-N 2.66Å; T235-D238 WeakPolarHBondContact CB-OD2 3.1Å; T235-D238 PolarHBondContact N-OD2 3.28Å; T235-D238 PolarHBondContact O-N 3.41Å; T235-D238 PolarHBondContact OG1-N 2.94Å; T235-D238 PolarHBondContact OG1-OD2 3.42Å; T235-R239 PolarHBondContact O-N 2.98Å; T235-R239 VanDerWaalsContact O-N 3.15Å
236N55.1Low55.5Low124 Ų12475.1 Ų75.166%0.66338%0.376SS*.Hα-helixtrans-51.2-28176.3-76.6-22.2000112.1R239 E240N236-R239 PolarHBondContact OD1-NH1 3.28Å; N236-E240 WeakPolarHBondContact O-CB 3.38Å; N236-E240 PolarHBondContact O-N 3.03Å
237K57.8Low56Low162 Ų16275.6 Ų75.670%0.70438%0.378SS*.Hα-helixtrans-66.1-42.5173.1-63.3-175.3175.5-177.90113.4T235 R239 E240 L241T235-K237 PolarHBondContact O-N 2.66Å; K237-R239 VanDerWaalsContact C-N 3.33Å; K237-E240 WeakPolarHBondContact O-CB 3.37Å; K237-E240 PolarHBondContact O-N 3.38Å; K237-L241 WeakPolarHBondContact O-CB 3.47Å; K237-L241 PolarHBondContact O-N 3.32Å
238D57.7Low57Low32 Ų3268.1 Ų68.117%0.17135%0.35CS..Hα-helixtrans-66.7-39178.2-59.2-42.5000110.5I234 T235 L241 M242I234-D238 HydrophobicContact CB-CB 4.3Å; I234-D238 HydrophobicContact CG2-CB 3.54Å; T235-D238 WeakPolarHBondContact CB-OD2 3.1Å; T235-D238 PolarHBondContact N-OD2 3.28Å; T235-D238 PolarHBondContact O-N 3.41Å; T235-D238 PolarHBondContact OG1-N 2.94Å; T235-D238 PolarHBondContact OG1-OD2 3.42Å; D238-L241 PolarHBondContact O-N 3.07Å; D238-M242 VanDerWaalsContact O-CG 3.31Å; D238-M242 WeakPolarHBondContact O-CG 3.41Å; D238-M242 PolarHBondContact O-N 3.24Å
239R58.3Low58.1Low98 Ų9862.1 Ų62.137%0.3733%0.325SS..Hα-helixtrans-63.7-46.3173.9-172.3-177.9-59144.25.4111.7I234 T235 N236 K237 L241 M242 N243I234-R239 HydrophobicContact CG2-CB 3.85Å; I234-R239 VanDerWaalsContact CG2-N 3.31Å; T235-R239 PolarHBondContact O-N 2.98Å; T235-R239 VanDerWaalsContact O-N 3.15Å; N236-R239 PolarHBondContact OD1-NH1 3.28Å; K237-R239 VanDerWaalsContact C-N 3.33Å; R239-L241 VanDerWaalsContact C-N 3.31Å; R239-L241 PolarHBondContact O-N 2.74Å; R239-M242 PolarHBondContact O-N 2.58Å; R239-N243 PolarHBondContact O-N 3.27Å; R239-N243 PolarHBondContact O-ND2 3.49Å
240E63.1Low58.9Low73 Ų7362.3 Ų62.334%0.34133%0.33SS..Hα-helixtrans-56.4-48.5175.1-168.7-163.8141.300110.2V68 N236 K237 M242 N243 K244V68-E240 VanDerWaalsContact CG2-OE1 3.29Å; V68-E240 WeakPolarHBondContact CG2-OE1 3.35Å; N236-E240 WeakPolarHBondContact O-CB 3.38Å; N236-E240 PolarHBondContact O-N 3.03Å; K237-E240 WeakPolarHBondContact O-CB 3.37Å; K237-E240 PolarHBondContact O-N 3.38Å; E240-M242 PolarHBondContact O-N 3.37Å; E240-N243 WeakPolarHBondContact O-CB 3.4Å; E240-N243 PolarHBondContact O-N 3.35Å; E240-K244 WeakPolarHBondContact O-CG 3.46Å; E240-K244 PolarHBondContact O-N 3.32Å; E240-K244 WeakPolarHBondContact OE1-CE 3.32Å; E240-K244 IonicContact OE1-NZ 2.68Å; E240-K244 PolarHBondContact OE1-NZ 3.31Å
241L66.5Low60.2Low19 Ų1959.4 Ų59.410%0.09932%0.318CS..Hα-helixtrans-60.4-43.4177.9-179.456.2000112.7Y58 C61 A62 K237 D238 R239 N243 K244 I245Y58-L241 HydrophobicContact CD2-CD2 4.48Å; Y58-L241 HydrophobicContact CE1-CD2 4.48Å; Y58-L241 HydrophobicContact CE2-CD2 3.63Å; Y58-L241 HydrophobicContact CE2-CG 4.36Å; Y58-L241 WeakPolarHBondContact OH-CD2 3.36Å; C61-L241 HydrophobicContact CB-CD1 3.83Å; A62-L241 HydrophobicContact CB-CD1 3.96Å; A62-L241 HydrophobicContact CB-CD2 4.22Å; K237-L241 WeakPolarHBondContact O-CB 3.47Å; K237-L241 PolarHBondContact O-N 3.32Å; D238-L241 PolarHBondContact O-N 3.07Å; R239-L241 VanDerWaalsContact C-N 3.31Å; R239-L241 PolarHBondContact O-N 2.74Å; L241-N243 VanDerWaalsContact C-N 3.31Å; L241-N243 PolarHBondContact O-N 3.17Å; L241-K244 WeakPolarHBondContact O-CB 3.48Å; L241-K244 PolarHBondContact O-N 3.07Å; L241-I245 HydrophobicContact CD1-CD1 4.14Å; L241-I245 HydrophobicContact CD1-CG1 4.33Å; L241-I245 HydrophobicContact CG-CD1 4.01Å; L241-I245 VanDerWaalsContact O-CG1 3.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 2.94Å
242M63.6Low61.7Low54 Ų5456.1 Ų56.127%0.26629%0.289SS..Hα-helixtrans-64.4-36.3177.3-73.4-61-70.900112.5L37 P40 D238 R239 E240 I245 S246L37-M242 HydrophobicContact CD2-SD 4.11Å; P40-M242 HydrophobicContact CG-CE 4.3Å; D238-M242 VanDerWaalsContact O-CG 3.31Å; D238-M242 WeakPolarHBondContact O-CG 3.41Å; D238-M242 PolarHBondContact O-N 3.24Å; R239-M242 PolarHBondContact O-N 2.58Å; E240-M242 PolarHBondContact O-N 3.37Å; M242-I245 PolarHBondContact O-N 3.43Å; M242-I245 HydrophobicContact SD-CD1 4.36Å; M242-S246 WeakPolarHBondContact O-CB 3.47Å; M242-S246 PolarHBondContact O-N 3.47Å; M242-S246 PolarHBondContact O-OG 2.94Å
243N63.9Low62.9Low72 Ų7258.6 Ų58.639%0.38530%0.301SS..Hα-helixtrans-66.9-43173-70.4-21.4000111.2L71 R239 E240 L241 I245 S246 F247L71-N243 HydrophobicContact CD1-CB 4.43Å; L71-N243 HydrophobicContact CD2-CB 4.05Å; R239-N243 PolarHBondContact O-N 3.27Å; R239-N243 PolarHBondContact O-ND2 3.49Å; E240-N243 WeakPolarHBondContact O-CB 3.4Å; E240-N243 PolarHBondContact O-N 3.35Å; L241-N243 VanDerWaalsContact C-N 3.31Å; L241-N243 PolarHBondContact O-N 3.17Å; N243-I245 PolarHBondContact O-N 3.31Å; N243-S246 PolarHBondContact O-N 2.9Å; N243-F247 WeakPolarHBondContact O-CB 3.39Å; N243-F247 PolarHBondContact O-N 3.29Å
244K69.3Low64.3Low17 Ų1755.6 Ų55.67%0.07428%0.277CS..Hα-helixtrans-56.1-49.2173.1-66.8-178.6-179.4171.80111.5C61 D64 I67 V68 L71 E240 L241 S246 F247 V248C61-K244 HydrophobicContact CB-CB 4.24Å; C61-K244 WeakPolarHBondContact O-CD 3.4Å; D64-K244 PolarHBondContact O-NZ 3.35Å; I67-K244 HydrophobicContact CG2-CB 4.03Å; I67-K244 HydrophobicContact CG2-CD 4.16Å; I67-K244 HydrophobicContact CG2-CG 3.63Å; V68-K244 VanDerWaalsContact CG2-CE 3.44Å; V68-K244 VanDerWaalsContact CG2-NZ 3.34Å; L71-K244 HydrophobicContact CD2-CG 3.92Å; E240-K244 WeakPolarHBondContact O-CG 3.46Å; E240-K244 PolarHBondContact O-N 3.32Å; E240-K244 WeakPolarHBondContact OE1-CE 3.32Å; E240-K244 IonicContact OE1-NZ 2.68Å; E240-K244 PolarHBondContact OE1-NZ 3.31Å; L241-K244 WeakPolarHBondContact O-CB 3.48Å; L241-K244 PolarHBondContact O-N 3.07Å; K244-S246 PolarHBondContact O-N 3.26Å; K244-F247 WeakPolarHBondContact O-CB 3.25Å; K244-F247 PolarHBondContact O-N 2.93Å; K244-V248 WeakPolarHBondContact O-CG2 3.14Å; K244-V248 PolarHBondContact O-N 3.39Å; K244-V248 VanDerWaalsContact O-N 3.08Å
245I70.6Confident65.3Low22 Ų2253.7 Ų53.711%0.11327%0.267CS..Hα-helixtrans-61.9-44.3179.5-66.9164.5000111Y58 C61 L241 M242 N243 F247 S249Y58-I245 HydrophobicContact CD2-CD1 3.58Å; Y58-I245 HydrophobicContact CE2-CD1 4.16Å; Y58-I245 HydrophobicContact CG-CD1 4.44Å; C61-I245 HydrophobicContact CB-CG1 3.69Å; L241-I245 HydrophobicContact CD1-CD1 4.14Å; L241-I245 HydrophobicContact CD1-CG1 4.33Å; L241-I245 HydrophobicContact CG-CD1 4.01Å; L241-I245 VanDerWaalsContact O-CG1 3.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 2.94Å; M242-I245 PolarHBondContact O-N 3.43Å; M242-I245 HydrophobicContact SD-CD1 4.36Å; N243-I245 PolarHBondContact O-N 3.31Å; I245-F247 VanDerWaalsContact C-N 3.33Å; I245-F247 PolarHBondContact O-N 3.21Å; I245-S249 WeakPolarHBondContact O-CB 3.36Å; I245-S249 PolarHBondContact O-N 3.49Å
246S64.9Low66Low48 Ų4854.1 Ų54.134%0.33627%0.266SS..Hα-helixtrans-63.1-40.3179.1-61.40000111.8M242 N243 K244 S249 N250M242-S246 WeakPolarHBondContact O-CB 3.47Å; M242-S246 PolarHBondContact O-N 3.47Å; M242-S246 PolarHBondContact O-OG 2.94Å; N243-S246 PolarHBondContact O-N 2.9Å; K244-S246 PolarHBondContact O-N 3.26Å; S246-S249 WeakPolarHBondContact O-CB 3.44Å; S246-S249 PolarHBondContact O-N 2.75Å; S246-N250 WeakPolarHBondContact O-CB 3.45Å; S246-N250 PolarHBondContact O-N 3.24Å; S246-N250 PolarHBondContact O-ND2 3.18Å
247F66.7Low66.6Low10 Ų1058 Ų584%0.04427%0.272CS..Hα-helixtrans-60.5-55.7175.7176.9-143000113I67 L71 S74 F75 N243 K244 I245 S249 N250 I251 L279I67-F247 HydrophobicContact CG2-CD1 4.16Å; L71-F247 HydrophobicContact CD1-CB 3.59Å; L71-F247 HydrophobicContact CD1-CD1 3.93Å; L71-F247 HydrophobicContact CD1-CG 3.97Å; S74-F247 VanDerWaalsContact OG-CE1 3.32Å; S74-F247 WeakPolarHBondContact OG-CE1 3.44Å; S74-F247 WeakPolarHBondContact OG-CE2 3.3Å; S74-F247 WeakPolarHBondContact OG-CZ 3.45Å; F75-F247 HydrophobicContact CD2-CB 3.48Å; F75-F247 VanDerWaalsContact CD2-CB 3.48Å; F75-F247 HydrophobicContact CD2-CD1 4.46Å; F75-F247 AromaticContact CD2-CD2 3.51Å; F75-F247 HydrophobicContact CD2-CD2 3.51Å; F75-F247 HydrophobicContact CD2-CE2 4.25Å; F75-F247 AromaticContact CD2-CG 3.55Å; F75-F247 HydrophobicContact CD2-CG 3.55Å; F75-F247 HydrophobicContact CE2-CB 3.16Å; F75-F247 AromaticContact CE2-CD2 3.18Å; F75-F247 HydrophobicContact CE2-CD2 3.18Å; F75-F247 HydrophobicContact CE2-CE2 4.18Å; F75-F247 AromaticContact CE2-CG 3.44Å; F75-F247 HydrophobicContact CE2-CG 3.44Å; F75-F247 VanDerWaalsContact CE2-CG 3.44Å; F75-F247 HydrophobicContact CG-CB 4.41Å; F75-F247 HydrophobicContact CZ-CB 3.74Å; F75-F247 HydrophobicContact CZ-CD2 4.33Å; F75-F247 HydrophobicContact CZ-CG 4.44Å; N243-F247 WeakPolarHBondContact O-CB 3.39Å; N243-F247 PolarHBondContact O-N 3.29Å; K244-F247 WeakPolarHBondContact O-CB 3.25Å; K244-F247 PolarHBondContact O-N 2.93Å; I245-F247 VanDerWaalsContact C-N 3.33Å; I245-F247 PolarHBondContact O-N 3.21Å; F247-S249 PolarHBondContact O-N 2.85Å; F247-N250 PolarHBondContact O-N 3.32Å; F247-N250 VanDerWaalsContact O-N 3.07Å; F247-I251 HydrophobicContact CD2-CD1 3.67Å; F247-I251 HydrophobicContact CD2-CG1 4.11Å; F247-I251 HydrophobicContact CE1-CD1 4.03Å; F247-I251 HydrophobicContact CE2-CD1 3.1Å; F247-I251 HydrophobicContact CE2-CG1 3.82Å; F247-I251 HydrophobicContact CG-CD1 4.45Å; F247-I251 HydrophobicContact CZ-CD1 3.29Å; F247-I251 HydrophobicContact CZ-CG1 4.45Å; F247-I251 PolarHBondContact O-N 2.68Å; F247-L279 HydrophobicContact CD1-CD2 3.97Å; F247-L279 HydrophobicContact CE1-CD2 3.59Å; F247-L279 HydrophobicContact CZ-CD2 4.03Å
248V72.5Confident67.1Low0 Ų057.7 Ų57.70%027%0.266CS..Hα-helixtrans-60-40.8-179.4178.60000110.3L57 I67 K244 N250 I251 F252 L279 Y306L57-V248 HydrophobicContact CD1-CB 4.4Å; L57-V248 HydrophobicContact CD1-CG1 3.68Å; I67-V248 HydrophobicContact CD1-CG2 3.36Å; K244-V248 WeakPolarHBondContact O-CG2 3.14Å; K244-V248 PolarHBondContact O-N 3.39Å; K244-V248 VanDerWaalsContact O-N 3.08Å; V248-N250 PolarHBondContact O-N 3.37Å; V248-I251 PolarHBondContact O-N 3.05Å; V248-F252 HydrophobicContact CG1-CD1 4.44Å; V248-F252 HydrophobicContact CG1-CD2 4.02Å; V248-F252 HydrophobicContact CG1-CE1 3.87Å; V248-F252 HydrophobicContact CG1-CE2 3.38Å; V248-F252 HydrophobicContact CG1-CZ 3.28Å; V248-F252 VanDerWaalsContact O-CG 3.29Å; V248-F252 WeakPolarHBondContact O-CG 3.25Å; V248-F252 PolarHBondContact O-N 3.3Å; V248-L279 HydrophobicContact CG1-CD1 4.22Å; V248-L279 HydrophobicContact CG2-CD1 4.49Å; V248-L279 HydrophobicContact CG2-CD2 3.82Å; V248-Y306 HydrophobicContact CG1-CD1 4.13Å; V248-Y306 HydrophobicContact CG1-CE1 4.15Å; V248-Y306 HydrophobicContact CG2-CE1 4.35Å
249S69.2Low67.5Low14 Ų1456.8 Ų56.810%0.09826%0.263CS..Hα-helixtrans-58.4-44174.9-170.50000113R41 I245 S246 F247 F252 H253R41-S249 PolarHBondContact NH2-OG 3.03Å; I245-S249 WeakPolarHBondContact O-CB 3.36Å; I245-S249 PolarHBondContact O-N 3.49Å; S246-S249 WeakPolarHBondContact O-CB 3.44Å; S246-S249 PolarHBondContact O-N 2.75Å; F247-S249 PolarHBondContact O-N 2.85Å; S249-F252 PolarHBondContact O-N 3.04Å; S249-H253 PolarHBondContact O-CD2 3.21Å; S249-H253 VanDerWaalsContact O-CD2 3.28Å; S249-H253 PolarHBondContact O-N 3.4Å
250N67.4Low67.5Low91 Ų9155 Ų5549%0.48726%0.264SS..Hα-helixtrans-68.4-40.8-179.2-73.6-15.2000111.5S246 F247 V248 F252 H253 E254S246-N250 WeakPolarHBondContact O-CB 3.45Å; S246-N250 PolarHBondContact O-N 3.24Å; S246-N250 PolarHBondContact O-ND2 3.18Å; F247-N250 PolarHBondContact O-N 3.32Å; F247-N250 VanDerWaalsContact O-N 3.07Å; V248-N250 PolarHBondContact O-N 3.37Å; N250-F252 VanDerWaalsContact C-N 3.35Å; N250-F252 PolarHBondContact O-N 3.18Å; N250-H253 PolarHBondContact O-N 3.27Å; N250-E254 WeakPolarHBondContact O-CB 3.24Å; N250-E254 PolarHBondContact O-N 3.15Å
251I73Confident67.4Low17 Ų1762.2 Ų62.29%0.08729%0.294CS..Hα-helixtrans-59.4-47.4173.4-75.8172.6000110.4F247 V248 H253 E254 I255 G275 S278 L279F247-I251 HydrophobicContact CD2-CD1 3.67Å; F247-I251 HydrophobicContact CD2-CG1 4.11Å; F247-I251 HydrophobicContact CE1-CD1 4.03Å; F247-I251 HydrophobicContact CE2-CD1 3.1Å; F247-I251 HydrophobicContact CE2-CG1 3.82Å; F247-I251 HydrophobicContact CG-CD1 4.45Å; F247-I251 HydrophobicContact CZ-CD1 3.29Å; F247-I251 HydrophobicContact CZ-CG1 4.45Å; F247-I251 PolarHBondContact O-N 2.68Å; V248-I251 PolarHBondContact O-N 3.05Å; I251-H253 VanDerWaalsContact C-N 3.32Å; I251-H253 PolarHBondContact O-N 2.63Å; I251-E254 PolarHBondContact O-N 3.13Å; I251-E254 VanDerWaalsContact O-N 3.14Å; I251-I255 HydrophobicContact CG2-CD1 3.88Å; I251-I255 HydrophobicContact CG2-CG1 4.37Å; I251-I255 VanDerWaalsContact O-CG1 3.29Å; I251-I255 WeakPolarHBondContact O-CG1 3.44Å; I251-I255 PolarHBondContact O-N 2.88Å; I251-G275 WeakPolarHBondContact CG2-O 3.22Å; I251-S278 WeakPolarHBondContact CD1-OG 3.1Å; I251-L279 HydrophobicContact CD1-CD2 3.35Å; I251-L279 HydrophobicContact CD1-CG 3.76Å; I251-L279 HydrophobicContact CG2-CD1 4.48Å; I251-L279 HydrophobicContact CG2-CG 4.45Å
252F74.2Confident67Low11 Ų1166.9 Ų66.95%0.04833%0.329CS..Hα-helixtrans-62.6-40.3178.3-65.4-12.4000112.1L57 V248 S249 N250 E254 I255 I256 F276 L279 L302 Y306L57-F252 HydrophobicContact CD1-CE2 4.01Å; V248-F252 HydrophobicContact CG1-CD1 4.44Å; V248-F252 HydrophobicContact CG1-CD2 4.02Å; V248-F252 HydrophobicContact CG1-CE1 3.87Å; V248-F252 HydrophobicContact CG1-CE2 3.38Å; V248-F252 HydrophobicContact CG1-CZ 3.28Å; V248-F252 VanDerWaalsContact O-CG 3.29Å; V248-F252 WeakPolarHBondContact O-CG 3.25Å; V248-F252 PolarHBondContact O-N 3.3Å; S249-F252 PolarHBondContact O-N 3.04Å; N250-F252 VanDerWaalsContact C-N 3.35Å; N250-F252 PolarHBondContact O-N 3.18Å; F252-E254 VanDerWaalsContact C-N 3.33Å; F252-E254 PolarHBondContact O-N 3.49Å; F252-I255 HydrophobicContact CD1-CD1 4.22Å; F252-I255 PolarHBondContact O-N 3.38Å; F252-I256 WeakPolarHBondContact O-CB 3.4Å; F252-I256 WeakPolarHBondContact O-CD1 3.05Å; F252-I256 WeakPolarHBondContact O-CG1 3.2Å; F252-I256 PolarHBondContact O-N 2.83Å; F252-F276 HydrophobicContact CE1-CE1 4.18Å; F252-F276 AromaticContact CE1-CZ 3.98Å; F252-F276 HydrophobicContact CE1-CZ 3.98Å; F252-F276 HydrophobicContact CZ-CE1 4.49Å; F252-F276 HydrophobicContact CZ-CZ 4.37Å; F252-L279 HydrophobicContact CE1-CD1 4.01Å; F252-L279 HydrophobicContact CZ-CD1 4.49Å; F252-L302 HydrophobicContact CB-CD1 4.09Å; F252-L302 HydrophobicContact CD1-CB 4.08Å; F252-L302 HydrophobicContact CD1-CD1 4.22Å; F252-L302 HydrophobicContact CD2-CB 4.08Å; F252-L302 HydrophobicContact CE1-CB 4.2Å; F252-L302 HydrophobicContact CE2-CB 4.19Å; F252-L302 HydrophobicContact CG-CB 4.03Å; F252-L302 HydrophobicContact CG-CD1 4.19Å; F252-L302 HydrophobicContact CZ-CB 4.26Å; F252-Y306 HydrophobicContact CZ-CD1 4.3Å; F252-Y306 HydrophobicContact CZ-CG 4Å
253H67.6Low66.6Low116 Ų11666 Ų6654%0.53733%0.33SS..Hα-helixtrans-61.7-40.3173.1-87.3-57.5000112.7S249 N250 I251 I256 R257S249-H253 PolarHBondContact O-CD2 3.21Å; S249-H253 VanDerWaalsContact O-CD2 3.28Å; S249-H253 PolarHBondContact O-N 3.4Å; N250-H253 PolarHBondContact O-N 3.27Å; I251-H253 VanDerWaalsContact C-N 3.32Å; I251-H253 PolarHBondContact O-N 2.63Å; H253-I256 PolarHBondContact O-N 3Å; H253-R257 VanDerWaalsContact O-CB 3.25Å; H253-R257 WeakPolarHBondContact O-CB 3.39Å; H253-R257 PolarHBondContact O-N 3.48Å
254E67.8Low66.5Low74 Ų7468 Ų6835%0.34634%0.34SS..Hα-helixtrans-68.7-40.3178.6-169.662.3-168.400111.8N250 I251 F252 I256 R257 R258N250-E254 WeakPolarHBondContact O-CB 3.24Å; N250-E254 PolarHBondContact O-N 3.15Å; I251-E254 PolarHBondContact O-N 3.13Å; I251-E254 VanDerWaalsContact O-N 3.14Å; F252-E254 VanDerWaalsContact C-N 3.33Å; F252-E254 PolarHBondContact O-N 3.49Å; E254-I256 PolarHBondContact O-N 2.84Å; E254-R257 PolarHBondContact O-N 3.31Å; E254-R258 WeakPolarHBondContact O-CB 3.46Å; E254-R258 WeakPolarHBondContact O-CG 3.46Å; E254-R258 PolarHBondContact O-N 3.41Å; E254-R258 IonicContact OE1-CZ 2.79Å; E254-R258 IonicContact OE1-NE 3.59Å; E254-R258 PolarHBondContact OE1-NE 3.14Å; E254-R258 IonicContact OE1-NH2 3.62Å; E254-R258 PolarHBondContact OE1-NH2 2.98Å
255I69.3Low66.3Low8 Ų869.9 Ų69.94%0.04136%0.356CS..Hα-helixtrans-57-50.1171-65.7167.6000109.8I251 F252 R257 R258 A259 V272 F299 L302I251-I255 HydrophobicContact CG2-CD1 3.88Å; I251-I255 HydrophobicContact CG2-CG1 4.37Å; I251-I255 VanDerWaalsContact O-CG1 3.29Å; I251-I255 WeakPolarHBondContact O-CG1 3.44Å; I251-I255 PolarHBondContact O-N 2.88Å; F252-I255 HydrophobicContact CD1-CD1 4.22Å; F252-I255 PolarHBondContact O-N 3.38Å; I255-R257 VanDerWaalsContact C-N 3.32Å; I255-R257 PolarHBondContact O-N 3.45Å; I255-R258 PolarHBondContact O-N 3.3Å; I255-A259 WeakPolarHBondContact O-CB 3.19Å; I255-A259 PolarHBondContact O-N 3.3Å; I255-V272 HydrophobicContact CG2-CB 4.48Å; I255-V272 HydrophobicContact CG2-CG2 3.73Å; I255-F299 HydrophobicContact CG2-CD1 4.26Å; I255-F299 HydrophobicContact CG2-CE1 4.17Å; I255-L302 HydrophobicContact CG2-CD1 4.23Å
256I67.5Low66.2Low75 Ų7573.5 Ų73.539%0.38537%0.372SS..Hα-helixtrans-62.2-40.3179.4-69.7163.8000111.5F252 H253 E254 F299 L302F252-I256 WeakPolarHBondContact O-CB 3.4Å; F252-I256 WeakPolarHBondContact O-CD1 3.05Å; F252-I256 WeakPolarHBondContact O-CG1 3.2Å; F252-I256 PolarHBondContact O-N 2.83Å; H253-I256 PolarHBondContact O-N 3Å; E254-I256 PolarHBondContact O-N 2.84Å; I256-F299 HydrophobicContact CD1-CB 4.19Å; I256-F299 HydrophobicContact CG1-CB 3.68Å; I256-F299 HydrophobicContact CG1-CD1 4.13Å; I256-F299 HydrophobicContact CG1-CG 4Å; I256-L302 HydrophobicContact CD1-CD1 4.48Å; I256-L302 HydrophobicContact CG1-CD1 4.3Å
257R68Low66.5Low206 Ų20675.5 Ų75.578%0.77738%0.378SS*.Hα-helixtrans-67.2-39.5-179.8-178.9-177.7176.21561111.9H253 E254 I255H253-R257 VanDerWaalsContact O-CB 3.25Å; H253-R257 WeakPolarHBondContact O-CB 3.39Å; H253-R257 PolarHBondContact O-N 3.48Å; E254-R257 PolarHBondContact O-N 3.31Å; I255-R257 VanDerWaalsContact C-N 3.32Å; I255-R257 PolarHBondContact O-N 3.45Å
258R68.1Low66.6Low155 Ų15575.7 Ų75.759%0.58538%0.38SS*.Hα-helixtrans-81.1-18.7-179-69.7-176-175.3-169.84.8113.6E254 I255 P260 Q271E254-R258 WeakPolarHBondContact O-CB 3.46Å; E254-R258 WeakPolarHBondContact O-CG 3.46Å; E254-R258 PolarHBondContact O-N 3.41Å; E254-R258 IonicContact OE1-CZ 2.79Å; E254-R258 IonicContact OE1-NE 3.59Å; E254-R258 PolarHBondContact OE1-NE 3.14Å; E254-R258 IonicContact OE1-NH2 3.62Å; E254-R258 PolarHBondContact OE1-NH2 2.98Å; I255-R258 PolarHBondContact O-N 3.3Å; R258-P260 VanDerWaalsContact O-CD 3.29Å; R258-P260 WeakPolarHBondContact O-CD 3.21Å; R258-Q271 PolarHBondContact O-NE2 2.86Å; R258-Q271 VanDerWaalsContact O-NE2 3.16Å; R258-Q271 PolarHBondContact O-OE1 3.24Å
259A66.4Low66.6Low13 Ų1376.9 Ų76.911%0.10739%0.385CS..SBendtrans-62.9117.617600000111.5I255 F299I255-A259 WeakPolarHBondContact O-CB 3.19Å; I255-A259 PolarHBondContact O-N 3.3Å; A259-F299 HydrophobicContact CB-CE1 3.66Å; A259-F299 HydrophobicContact CB-CE2 3.74Å; A259-F299 HydrophobicContact CB-CZ 3.12Å
260P58.7Low66.8Low59 Ų5979 Ų7938%0.38340%0.395SS..  trans-69.3137.4176.3-12.527.7000110R258 S262 A263R258-P260 VanDerWaalsContact O-CD 3.29Å; R258-P260 WeakPolarHBondContact O-CD 3.21Å; P260-S262 PolarHBondContact O-N 3.35Å; P260-A263 HydrophobicContact CB-CB 3.66Å; P260-A263 HydrophobicContact CG-CB 3.62Å
261K60.3Low67Low225 Ų22576.9 Ų76.998%0.97838%0.382SS*.THydrogen-bonded Turntrans-62-13.7-179.5-66.4-176.3-179.8178.70114.3
262S57.2Low67.1Low118 Ų11876 Ų7683%0.82538%0.378SS*.THydrogen-bonded Turntrans-135.425-172.366.20000113.9P260P260-S262 PolarHBondContact O-N 3.35Å
263A55.1Low67.1Low36 Ų3679.7 Ų79.730%0.29839%0.392SS..  trans-86.2152.5-171.600000115.2P260 V268P260-A263 HydrophobicContact CB-CB 3.66Å; P260-A263 HydrophobicContact CG-CB 3.62Å; A263-V268 HydrophobicContact CB-CG2 3.73Å
264D62.1Low67.3Low112 Ų11280.3 Ų80.360%0.59940%0.395SS*.  trans-50.1137.1163-168.3-13.3000110.9Q266 I267D264-Q266 PolarHBondContact O-N 3Å; D264-Q266 PolarHBondContact OD1-N 3.5Å; D264-I267 HydrophobicContact CB-CD1 4.46Å; D264-I267 PolarHBondContact O-N 2.88Å
265S65.3Low67.6Low57 Ų5777.3 Ų77.340%0.39938%0.384SS..Hα-helixtrans-52.2-33.6-177.6-173.50000111.9Y269S265-Y269 VanDerWaalsContact O-CB 3.29Å; S265-Y269 WeakPolarHBondContact O-CB 3.43Å; S265-Y269 PolarHBondContact O-N 2.79Å
266Q70Confident67.9Low99 Ų9977 Ų7746%0.46338%0.382SS..Hα-helixtrans-70.9-42.1-176.6-167.259.941.600113.9D264 V268 Y269 D270D264-Q266 PolarHBondContact O-N 3Å; D264-Q266 PolarHBondContact OD1-N 3.5Å; Q266-V268 VanDerWaalsContact C-N 3.32Å; Q266-V268 PolarHBondContact O-N 3.12Å; Q266-Y269 WeakPolarHBondContact O-CB 3.35Å; Q266-Y269 PolarHBondContact O-N 3.22Å; Q266-D270 PolarHBondContact O-N 3.49Å
267I70.2Confident68.3Low90 Ų9079.2 Ų79.246%0.46239%0.389SS..Hα-helixtrans-64.7-42.3179.5-64.9173.8000109.9D264 D270 Q271D264-I267 HydrophobicContact CB-CD1 4.46Å; D264-I267 PolarHBondContact O-N 2.88Å; I267-D270 PolarHBondContact O-N 2.8Å; I267-Q271 WeakPolarHBondContact O-CG 3.49Å; I267-Q271 PolarHBondContact O-N 2.62Å; I267-Q271 VanDerWaalsContact O-N 3.08Å
268V68.6Low68.4Low13 Ų1372.2 Ų72.28%0.07937%0.371CS..Hα-helixtrans-66.1-42.4177.9-170.90000110.5A263 Q266 D270 Q271 V272 W293 F299A263-V268 HydrophobicContact CB-CG2 3.73Å; Q266-V268 VanDerWaalsContact C-N 3.32Å; Q266-V268 PolarHBondContact O-N 3.12Å; V268-D270 VanDerWaalsContact C-N 3.33Å; V268-D270 PolarHBondContact O-N 2.84Å; V268-Q271 PolarHBondContact O-N 3.36Å; V268-V272 HydrophobicContact CG1-CG2 4.48Å; V268-V272 VanDerWaalsContact O-CG2 3.3Å; V268-V272 WeakPolarHBondContact O-CG2 3.27Å; V268-V272 PolarHBondContact O-N 2.9Å; V268-W293 HydrophobicContact CB-CZ2 4.11Å; V268-W293 HydrophobicContact CG1-CH2 4.04Å; V268-W293 HydrophobicContact CG1-CZ2 3.45Å; V268-W293 VanDerWaalsContact CG1-CZ2 3.45Å; V268-F299 HydrophobicContact CG1-CE1 3.67Å; V268-F299 HydrophobicContact CG1-CE2 4.45Å; V268-F299 HydrophobicContact CG1-CZ 3.32Å
269Y72.1Confident68.5Low25 Ų2564.8 Ų64.810%0.09834%0.343CS..Hα-helixtrans-55.7-45.8173.9176.3-93.9000112.1S265 Q266 Q271 V272 R273 F289 W293S265-Y269 VanDerWaalsContact O-CB 3.29Å; S265-Y269 WeakPolarHBondContact O-CB 3.43Å; S265-Y269 PolarHBondContact O-N 2.79Å; Q266-Y269 WeakPolarHBondContact O-CB 3.35Å; Q266-Y269 PolarHBondContact O-N 3.22Å; Y269-Q271 PolarHBondContact O-N 3.34Å; Y269-V272 PolarHBondContact O-N 3.25Å; Y269-R273 WeakPolarHBondContact O-CB 3.43Å; Y269-R273 PolarHBondContact O-N 2.99Å; Y269-F289 HydrophobicContact CD2-CE1 4.26Å; Y269-F289 HydrophobicContact CE2-CD1 4.23Å; Y269-F289 AromaticContact CE2-CE1 3.69Å; Y269-F289 HydrophobicContact CE2-CE1 3.69Å; Y269-W293 HydrophobicContact CD2-CB 4.3Å; Y269-W293 AromaticContact CD2-CD1 3.63Å; Y269-W293 AromaticContact CD2-CG 3.92Å; Y269-W293 HydrophobicContact CD2-CG 3.92Å
270D73.2Confident68.7Low60 Ų6069.6 Ų69.632%0.32137%0.367SS..Hα-helixtrans-66.8-36.4179.2-75.3-32.9000113Q266 I267 V268 R273 Q274Q266-D270 PolarHBondContact O-N 3.49Å; I267-D270 PolarHBondContact O-N 2.8Å; V268-D270 VanDerWaalsContact C-N 3.33Å; V268-D270 PolarHBondContact O-N 2.84Å; D270-R273 WeakPolarHBondContact O-CB 3.26Å; D270-R273 PolarHBondContact O-N 3.2Å; D270-Q274 WeakPolarHBondContact O-CG 3.39Å; D270-Q274 PolarHBondContact O-N 3.02Å
271Q72.7Confident69.3Low45 Ų4567 Ų6721%0.2135%0.35CS..Hα-helixtrans-66.5-43.8174.3-73-179.3-12.300112.3R258 I267 V268 Y269 R273 Q274 G275R258-Q271 PolarHBondContact O-NE2 2.86Å; R258-Q271 VanDerWaalsContact O-NE2 3.16Å; R258-Q271 PolarHBondContact O-OE1 3.24Å; I267-Q271 WeakPolarHBondContact O-CG 3.49Å; I267-Q271 PolarHBondContact O-N 2.62Å; I267-Q271 VanDerWaalsContact O-N 3.08Å; V268-Q271 PolarHBondContact O-N 3.36Å; Y269-Q271 PolarHBondContact O-N 3.34Å; Q271-R273 VanDerWaalsContact C-N 3.3Å; Q271-R273 PolarHBondContact O-N 3.08Å; Q271-Q274 PolarHBondContact O-N 3.12Å; Q271-G275 PolarHBondContact O-N 3.26Å
272V74.2Confident69.7Low0 Ų059.6 Ų59.60%032%0.322CS..Hα-helixtrans-59.4-46.8174.2173.50000109.2I255 V268 Y269 Q274 G275 F276 F289 W293 F299 L302I255-V272 HydrophobicContact CG2-CB 4.48Å; I255-V272 HydrophobicContact CG2-CG2 3.73Å; V268-V272 HydrophobicContact CG1-CG2 4.48Å; V268-V272 VanDerWaalsContact O-CG2 3.3Å; V268-V272 WeakPolarHBondContact O-CG2 3.27Å; V268-V272 PolarHBondContact O-N 2.9Å; Y269-V272 PolarHBondContact O-N 3.25Å; V272-Q274 VanDerWaalsContact C-N 3.35Å; V272-Q274 PolarHBondContact O-N 3.39Å; V272-G275 PolarHBondContact O-N 2.96Å; V272-F276 HydrophobicContact CG1-CD2 3.64Å; V272-F276 HydrophobicContact CG1-CE2 3.67Å; V272-F276 VanDerWaalsContact O-CD2 3.32Å; V272-F276 WeakPolarHBondContact O-CD2 3.47Å; V272-F276 PolarHBondContact O-N 3.45Å; V272-F289 HydrophobicContact CG1-CZ 3.97Å; V272-W293 HydrophobicContact CG2-CH2 3.7Å; V272-W293 HydrophobicContact CG2-CZ2 4.12Å; V272-W293 HydrophobicContact CG2-CZ3 4.04Å; V272-F299 HydrophobicContact CG2-CE1 4.19Å; V272-L302 HydrophobicContact CG1-CD2 3.91Å; V272-L302 HydrophobicContact CG2-CD2 4.47Å
273R74.6Confident70Confident88 Ų8854.3 Ų54.333%0.33228%0.284SS..Hα-helixtrans-57.1-44.5175.8-175-173.4179.5-1808.2112.3Y269 D270 Q271 F276 K277 T284Y269-R273 WeakPolarHBondContact O-CB 3.43Å; Y269-R273 PolarHBondContact O-N 2.99Å; D270-R273 WeakPolarHBondContact O-CB 3.26Å; D270-R273 PolarHBondContact O-N 3.2Å; Q271-R273 VanDerWaalsContact C-N 3.3Å; Q271-R273 PolarHBondContact O-N 3.08Å; R273-F276 PolarHBondContact O-N 3.41Å; R273-K277 WeakPolarHBondContact O-CG 3.41Å; R273-K277 PolarHBondContact O-N 3.15Å; R273-T284 HydrophobicContact CG-CG2 4.03Å; R273-T284 VanDerWaalsContact NH2-CG2 3.33Å
274Q71.5Confident70.2Confident129 Ų12954.3 Ų54.360%0.60328%0.28SS*.Hα-helixtrans-63.7-42176.4-75.6178.81100112.3D270 Q271 V272 K277 S278D270-Q274 WeakPolarHBondContact O-CG 3.39Å; D270-Q274 PolarHBondContact O-N 3.02Å; Q271-Q274 PolarHBondContact O-N 3.12Å; V272-Q274 VanDerWaalsContact C-N 3.35Å; V272-Q274 PolarHBondContact O-N 3.39Å; Q274-K277 WeakPolarHBondContact O-CB 3.31Å; Q274-K277 PolarHBondContact O-N 3.23Å; Q274-S278 PolarHBondContact O-N 3.39Å
275G73.9Confident70Confident11 Ų1154.3 Ų54.311%0.11328%0.284CS..Hα-helixtrans-65.4-39.7176.600000112.7I251 Q271 V272 S278I251-G275 WeakPolarHBondContact CG2-O 3.22Å; Q271-G275 PolarHBondContact O-N 3.26Å; V272-G275 PolarHBondContact O-N 2.96Å; G275-S278 PolarHBondContact O-N 3.19Å; G275-S278 PolarHBondContact O-OG 2.92Å
276F77.5Confident69.9Low1 Ų152.9 Ų52.90%0.00427%0.272CS..Hα-helixtrans-68.4-33.8173.7-85.1-81.2000113F252 V272 R273 S278 L279 N280 V281 L283 L302 Y306F252-F276 HydrophobicContact CE1-CE1 4.18Å; F252-F276 AromaticContact CE1-CZ 3.98Å; F252-F276 HydrophobicContact CE1-CZ 3.98Å; F252-F276 HydrophobicContact CZ-CE1 4.49Å; F252-F276 HydrophobicContact CZ-CZ 4.37Å; V272-F276 HydrophobicContact CG1-CD2 3.64Å; V272-F276 HydrophobicContact CG1-CE2 3.67Å; V272-F276 VanDerWaalsContact O-CD2 3.32Å; V272-F276 WeakPolarHBondContact O-CD2 3.47Å; V272-F276 PolarHBondContact O-N 3.45Å; R273-F276 PolarHBondContact O-N 3.41Å; F276-S278 PolarHBondContact O-N 3.13Å; F276-L279 HydrophobicContact CD1-CD1 4.24Å; F276-L279 WeakPolarHBondContact O-CA 3.49Å; F276-L279 WeakPolarHBondContact O-CB 3.4Å; F276-L279 PolarHBondContact O-N 3.25Å; F276-N280 PolarHBondContact O-N 2.68Å; F276-V281 CarbonylContact C-O 3.48Å; F276-V281 VanDerWaalsContact C-O 3.28Å; F276-V281 HydrophobicContact CB-CB 4.45Å; F276-V281 HydrophobicContact CD1-CB 4.02Å; F276-V281 HydrophobicContact CD1-CG1 3.79Å; F276-V281 HydrophobicContact CE1-CG1 4.5Å; F276-V281 PolarHBondContact O-N 2.8Å; F276-L283 HydrophobicContact CB-CD1 4.09Å; F276-L283 HydrophobicContact CB-CG 4.29Å; F276-L283 HydrophobicContact CD1-CD1 3.65Å; F276-L283 HydrophobicContact CD1-CG 4.1Å; F276-L283 HydrophobicContact CD2-CD1 3.4Å; F276-L283 HydrophobicContact CD2-CG 4.45Å; F276-L283 HydrophobicContact CE1-CD1 3.81Å; F276-L283 HydrophobicContact CE2-CD1 3.57Å; F276-L283 HydrophobicContact CG-CD1 3.43Å; F276-L283 VanDerWaalsContact CG-CD1 3.43Å; F276-L283 HydrophobicContact CG-CG 4.04Å; F276-L283 HydrophobicContact CZ-CD1 3.79Å; F276-L302 HydrophobicContact CE2-CD2 3.65Å; F276-L302 HydrophobicContact CZ-CD2 4.2Å; F276-Y306 HydrophobicContact CE1-CD2 4.06Å; F276-Y306 HydrophobicContact CE1-CG 4.33Å
277K75.3Confident69.6Low121 Ų12156.4 Ų56.453%0.52629%0.286SS..Hα-helixtrans-57.1-35.8170-79.4-178.2176.4-171.20112.5R273 Q274 L279 N280R273-K277 WeakPolarHBondContact O-CG 3.41Å; R273-K277 PolarHBondContact O-N 3.15Å; Q274-K277 WeakPolarHBondContact O-CB 3.31Å; Q274-K277 PolarHBondContact O-N 3.23Å; K277-L279 PolarHBondContact O-N 2.89Å; K277-N280 PolarHBondContact O-N 3.33Å
278S70.2Confident69Low59 Ų5954.2 Ų54.241%0.41328%0.279SS..THydrogen-bonded Turntrans-69.4-14.1175.263.40000114.6I251 Q274 G275 F276 N280I251-S278 WeakPolarHBondContact CD1-OG 3.1Å; Q274-S278 PolarHBondContact O-N 3.39Å; G275-S278 PolarHBondContact O-N 3.19Å; G275-S278 PolarHBondContact O-OG 2.92Å; F276-S278 PolarHBondContact O-N 3.13Å; S278-N280 VanDerWaalsContact C-N 3.33Å
279L70.3Confident68.7Low0 Ų054 Ų540%028%0.277CS..THydrogen-bonded Turntrans-91.14169.2-63.4175.2000112.7F247 V248 I251 F252 F276 K277 V281 Y306F247-L279 HydrophobicContact CD1-CD2 3.97Å; F247-L279 HydrophobicContact CE1-CD2 3.59Å; F247-L279 HydrophobicContact CZ-CD2 4.03Å; V248-L279 HydrophobicContact CG1-CD1 4.22Å; V248-L279 HydrophobicContact CG2-CD1 4.49Å; V248-L279 HydrophobicContact CG2-CD2 3.82Å; I251-L279 HydrophobicContact CD1-CD2 3.35Å; I251-L279 HydrophobicContact CD1-CG 3.76Å; I251-L279 HydrophobicContact CG2-CD1 4.48Å; I251-L279 HydrophobicContact CG2-CG 4.45Å; F252-L279 HydrophobicContact CE1-CD1 4.01Å; F252-L279 HydrophobicContact CZ-CD1 4.49Å; F276-L279 HydrophobicContact CD1-CD1 4.24Å; F276-L279 WeakPolarHBondContact O-CA 3.49Å; F276-L279 WeakPolarHBondContact O-CB 3.4Å; F276-L279 PolarHBondContact O-N 3.25Å; K277-L279 PolarHBondContact O-N 2.89Å; L279-V281 HydrophobicContact CB-CB 4.28Å; L279-V281 HydrophobicContact CB-CG2 3.89Å; L279-V281 PolarHBondContact O-N 3.42Å; L279-Y306 HydrophobicContact CD1-CD2 4.17Å; L279-Y306 HydrophobicContact CD1-CE2 4.26Å
280N69.9Low68.2Low114 Ų11455.5 Ų55.561%0.6129%0.286SS*.THydrogen-bonded Turntrans57.324.8-167.3-155.530.3000113.4S70 F276 K277 S278S70-N280 WeakPolarHBondContact OG-CB 3.28Å; F276-N280 PolarHBondContact O-N 2.68Å; K277-N280 PolarHBondContact O-N 3.33Å; S278-N280 VanDerWaalsContact C-N 3.33Å
281V71Confident67.6Low4 Ų456.1 Ų56.12%0.02429%0.292CS..  trans-101.1112.7178.1174.30000108.8F276 L279 L283 Y306 H309F276-V281 CarbonylContact C-O 3.48Å; F276-V281 VanDerWaalsContact C-O 3.28Å; F276-V281 HydrophobicContact CB-CB 4.45Å; F276-V281 HydrophobicContact CD1-CB 4.02Å; F276-V281 HydrophobicContact CD1-CG1 3.79Å; F276-V281 HydrophobicContact CE1-CG1 4.5Å; F276-V281 PolarHBondContact O-N 2.8Å; L279-V281 HydrophobicContact CB-CB 4.28Å; L279-V281 HydrophobicContact CB-CG2 3.89Å; L279-V281 PolarHBondContact O-N 3.42Å; V281-L283 HydrophobicContact CG1-CD2 3.71Å; V281-L283 HydrophobicContact CG1-CG 3.96Å; V281-Y306 HydrophobicContact CG2-CD2 4.22Å; V281-Y306 HydrophobicContact CG2-CE2 3.95Å; V281-H309 HydrophobicContact CG1-CB 4.49Å
282D68.1Low67Low70 Ų7054.7 Ų54.737%0.37429%0.285SS..  trans-94100173.3-171.110.9000111.2T284D282-T284 VanDerWaalsContact C-N 3.26Å; D282-T284 PolarHBondContact O-N 3.32Å; D282-T284 WeakPolarHBondContact OD1-CB 2.88Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.35Å; D282-T284 PolarHBondContact OD1-N 3.06Å; D282-T284 PolarHBondContact OD1-OG1 3.06Å; D282-T284 PolarHBondContact OD2-OG1 3.14Å
283L64.9Low66.3Low6 Ų655 Ų553%0.03129%0.286CS..G310 helixtrans-79.3-5.1175.1-62.1-179.7000113.5F276 V281 T285 D286 F289 H309F276-L283 HydrophobicContact CB-CD1 4.09Å; F276-L283 HydrophobicContact CB-CG 4.29Å; F276-L283 HydrophobicContact CD1-CD1 3.65Å; F276-L283 HydrophobicContact CD1-CG 4.1Å; F276-L283 HydrophobicContact CD2-CD1 3.4Å; F276-L283 HydrophobicContact CD2-CG 4.45Å; F276-L283 HydrophobicContact CE1-CD1 3.81Å; F276-L283 HydrophobicContact CE2-CD1 3.57Å; F276-L283 HydrophobicContact CG-CD1 3.43Å; F276-L283 VanDerWaalsContact CG-CD1 3.43Å; F276-L283 HydrophobicContact CG-CG 4.04Å; F276-L283 HydrophobicContact CZ-CD1 3.79Å; V281-L283 HydrophobicContact CG1-CD2 3.71Å; V281-L283 HydrophobicContact CG1-CG 3.96Å; L283-T285 VanDerWaalsContact C-N 3.29Å; L283-T285 PolarHBondContact O-N 3.05Å; L283-D286 PolarHBondContact O-N 2.93Å; L283-D286 VanDerWaalsContact O-N 3.16Å; L283-F289 HydrophobicContact CB-CD1 3.89Å; L283-F289 HydrophobicContact CB-CD2 4.45Å; L283-F289 HydrophobicContact CB-CE1 4.09Å; L283-F289 HydrophobicContact CB-CG 4.09Å; L283-F289 HydrophobicContact CB-CZ 4.46Å; L283-F289 HydrophobicContact CD1-CD1 4.4Å; L283-F289 HydrophobicContact CD1-CD2 3.75Å; L283-F289 HydrophobicContact CD1-CE1 4.13Å; L283-F289 HydrophobicContact CD1-CE2 3.43Å; L283-F289 VanDerWaalsContact CD1-CE2 3.43Å; L283-F289 HydrophobicContact CD1-CG 4.23Å; L283-F289 HydrophobicContact CD1-CZ 3.65Å; L283-H309 HydrophobicContact CD2-CB 4Å
284T58.7Low65.6Low36 Ų3655.9 Ų55.922%0.22130%0.297CS..G310 helixtrans-72-23.6-170.466.20000113.9R273 D282 D286R273-T284 HydrophobicContact CG-CG2 4.03Å; R273-T284 VanDerWaalsContact NH2-CG2 3.33Å; D282-T284 VanDerWaalsContact C-N 3.26Å; D282-T284 PolarHBondContact O-N 3.32Å; D282-T284 WeakPolarHBondContact OD1-CB 2.88Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.35Å; D282-T284 PolarHBondContact OD1-N 3.06Å; D282-T284 PolarHBondContact OD1-OG1 3.06Å; D282-T284 PolarHBondContact OD2-OG1 3.14Å; T284-D286 VanDerWaalsContact C-N 3.33Å
285T58.6Low64.8Low112 Ų11257.4 Ų57.469%0.68730%0.302SS*.G310 helixtrans-82.2-14.7176.456.60000112.4L283 K287L283-T285 VanDerWaalsContact C-N 3.29Å; L283-T285 PolarHBondContact O-N 3.05Å; T285-K287 PolarHBondContact O-N 3.11Å
286D63Low63.9Low27 Ų2758.4 Ų58.414%0.14431%0.306CS..  trans-86.992.9-176.1-164.8-20.1000111.3L283 T284 S288 F289 I290 K312L283-D286 PolarHBondContact O-N 2.93Å; L283-D286 VanDerWaalsContact O-N 3.16Å; T284-D286 VanDerWaalsContact C-N 3.33Å; D286-S288 PolarHBondContact O-N 3.48Å; D286-S288 WeakPolarHBondContact OD1-CA 3.36Å; D286-S288 WeakPolarHBondContact OD1-CB 3.35Å; D286-S288 PolarHBondContact OD1-N 3.35Å; D286-S288 PolarHBondContact OD1-OG 3.38Å; D286-S288 PolarHBondContact OD2-OG 3.33Å; D286-F289 HydrophobicContact CB-CB 4.01Å; D286-F289 WeakPolarHBondContact O-CB 3.49Å; D286-F289 PolarHBondContact O-N 3.5Å; D286-F289 PolarHBondContact OD1-N 3.24Å; D286-I290 PolarHBondContact O-N 2.63Å; D286-K312 IonicContact OD1-NZ 3.08Å; D286-K312 PolarHBondContact OD1-NZ 3.48Å; D286-K312 IonicContact OD2-NZ 3.36Å; D286-K312 PolarHBondContact OD2-NZ 2.99Å
287K62.7Low63Low173 Ų17360.5 Ų60.575%0.75233%0.328SS*.Hα-helixtrans-50.4-31.1173.6-75.7-174.4179.1179.60113T285 T291T285-K287 PolarHBondContact O-N 3.11Å; K287-T291 WeakPolarHBondContact O-CB 3.24Å; K287-T291 PolarHBondContact O-N 3.11Å; K287-T291 VanDerWaalsContact O-N 3.08Å; K287-T291 PolarHBondContact O-OG1 2.99Å
288S58.9Low62.5Low45 Ų4559.4 Ų59.432%0.31532%0.32SS..Hα-helixtrans-73.5-31.2179.6680000112.6D286 Y292 K312D286-S288 PolarHBondContact O-N 3.48Å; D286-S288 WeakPolarHBondContact OD1-CA 3.36Å; D286-S288 WeakPolarHBondContact OD1-CB 3.35Å; D286-S288 PolarHBondContact OD1-N 3.35Å; D286-S288 PolarHBondContact OD1-OG 3.38Å; D286-S288 PolarHBondContact OD2-OG 3.33Å; S288-Y292 WeakPolarHBondContact O-CB 3.36Å; S288-Y292 PolarHBondContact O-N 2.71Å; S288-Y292 VanDerWaalsContact O-N 3.1Å; S288-K312 PolarHBondContact OG-NZ 3.37Å
289F61.3Low62.2Low7 Ų759.2 Ų59.23%0.03131%0.312CS..Hα-helixtrans-67.6-48.2172175.3-95.9000111.6Y269 V272 L283 D286 T291 Y292 W293 L305Y269-F289 HydrophobicContact CD2-CE1 4.26Å; Y269-F289 HydrophobicContact CE2-CD1 4.23Å; Y269-F289 AromaticContact CE2-CE1 3.69Å; Y269-F289 HydrophobicContact CE2-CE1 3.69Å; V272-F289 HydrophobicContact CG1-CZ 3.97Å; L283-F289 HydrophobicContact CB-CD1 3.89Å; L283-F289 HydrophobicContact CB-CD2 4.45Å; L283-F289 HydrophobicContact CB-CE1 4.09Å; L283-F289 HydrophobicContact CB-CG 4.09Å; L283-F289 HydrophobicContact CB-CZ 4.46Å; L283-F289 HydrophobicContact CD1-CD1 4.4Å; L283-F289 HydrophobicContact CD1-CD2 3.75Å; L283-F289 HydrophobicContact CD1-CE1 4.13Å; L283-F289 HydrophobicContact CD1-CE2 3.43Å; L283-F289 VanDerWaalsContact CD1-CE2 3.43Å; L283-F289 HydrophobicContact CD1-CG 4.23Å; L283-F289 HydrophobicContact CD1-CZ 3.65Å; D286-F289 HydrophobicContact CB-CB 4.01Å; D286-F289 WeakPolarHBondContact O-CB 3.49Å; D286-F289 PolarHBondContact O-N 3.5Å; D286-F289 PolarHBondContact OD1-N 3.24Å; F289-T291 PolarHBondContact O-N 3.17Å; F289-Y292 WeakPolarHBondContact O-CB 3.48Å; F289-Y292 PolarHBondContact O-N 3.3Å; F289-Y292 VanDerWaalsContact O-N 3.09Å; F289-W293 PolarHBondContact O-N 3.43Å; F289-L305 HydrophobicContact CD2-CB 4.37Å; F289-L305 HydrophobicContact CD2-CD1 3.93Å; F289-L305 HydrophobicContact CD2-CD2 4.06Å; F289-L305 HydrophobicContact CD2-CG 4.33Å; F289-L305 HydrophobicContact CE2-CB 4.4Å; F289-L305 HydrophobicContact CE2-CD1 3.57Å; F289-L305 HydrophobicContact CE2-CG 4.37Å
290I62.7Low61.8Low57 Ų5761.6 Ų61.629%0.29233%0.325SS..Hα-helixtrans-57.6-53.3178.4-60.5173.1000110D286 Y292 W293 D294D286-I290 PolarHBondContact O-N 2.63Å; I290-Y292 PolarHBondContact O-N 2.99Å; I290-Y292 VanDerWaalsContact O-N 3.1Å; I290-W293 PolarHBondContact O-N 2.86Å; I290-D294 VanDerWaalsContact O-CG 3.28Å; I290-D294 PolarHBondContact O-N 3Å; I290-D294 VanDerWaalsContact O-N 3.08Å
291T60.8Low61.6Low73 Ų7356.2 Ų56.245%0.44830%0.296SS..Hα-helixtrans-58.9-28.9178.9-51.60000112.6K287 F289 K295K287-T291 WeakPolarHBondContact O-CB 3.24Å; K287-T291 PolarHBondContact O-N 3.11Å; K287-T291 VanDerWaalsContact O-N 3.08Å; K287-T291 PolarHBondContact O-OG1 2.99Å; F289-T291 PolarHBondContact O-N 3.17Å; T291-K295 HydrophobicContact CG2-CD 4.49Å; T291-K295 WeakPolarHBondContact O-CD 3.39Å; T291-K295 VanDerWaalsContact O-CG 3.29Å; T291-K295 WeakPolarHBondContact O-CG 3.22Å
292Y58.6Low61.7Low15 Ų1556.1 Ų56.16%0.05930%0.295CS..Hα-helixtrans-81.1-46.1-179.8174.9-89.3000112.1M7 S288 F289 I290 D294 K295 V296 L301 L305M7-Y292 HydrophobicContact CB-CE2 4Å; M7-Y292 WeakPolarHBondContact CB-OH 3.47Å; M7-Y292 HydrophobicContact CG-CE2 3.84Å; S288-Y292 WeakPolarHBondContact O-CB 3.36Å; S288-Y292 PolarHBondContact O-N 2.71Å; S288-Y292 VanDerWaalsContact O-N 3.1Å; F289-Y292 WeakPolarHBondContact O-CB 3.48Å; F289-Y292 PolarHBondContact O-N 3.3Å; F289-Y292 VanDerWaalsContact O-N 3.09Å; I290-Y292 PolarHBondContact O-N 2.99Å; I290-Y292 VanDerWaalsContact O-N 3.1Å; Y292-D294 VanDerWaalsContact C-N 3.33Å; Y292-D294 PolarHBondContact O-N 3.34Å; Y292-K295 PolarHBondContact O-N 3.3Å; Y292-V296 HydrophobicContact CD2-CG2 3.9Å; Y292-V296 HydrophobicContact CE1-CB 4.1Å; Y292-V296 HydrophobicContact CE1-CG1 4.38Å; Y292-V296 HydrophobicContact CE1-CG2 4.44Å; Y292-V296 HydrophobicContact CE2-CB 4.17Å; Y292-V296 HydrophobicContact CE2-CG1 4.37Å; Y292-V296 HydrophobicContact CE2-CG2 3.68Å; Y292-V296 HydrophobicContact CG-CG2 4.39Å; Y292-V296 WeakPolarHBondContact O-CG2 3.29Å; Y292-V296 PolarHBondContact O-N 3.37Å; Y292-L301 WeakPolarHBondContact OH-CD1 3.15Å; Y292-L305 HydrophobicContact CD1-CD1 4.13Å; Y292-L305 HydrophobicContact CD1-CD2 3.78Å; Y292-L305 HydrophobicContact CE1-CD1 3.86Å; Y292-L305 HydrophobicContact CE1-CD2 3.83Å; Y292-L305 HydrophobicContact CE1-CG 4.25Å; Y292-L305 HydrophobicContact CG-CD2 4.38Å
293W60.2Low62Low7 Ų753.4 Ų53.43%0.02728%0.282CS..Hα-helixtrans-60.8-44.9178.8-171.9-92.7000110.9V268 Y269 V272 F289 I290 K295 V296 G297 F299V268-W293 HydrophobicContact CB-CZ2 4.11Å; V268-W293 HydrophobicContact CG1-CH2 4.04Å; V268-W293 HydrophobicContact CG1-CZ2 3.45Å; V268-W293 VanDerWaalsContact CG1-CZ2 3.45Å; Y269-W293 HydrophobicContact CD2-CB 4.3Å; Y269-W293 AromaticContact CD2-CD1 3.63Å; Y269-W293 AromaticContact CD2-CG 3.92Å; Y269-W293 HydrophobicContact CD2-CG 3.92Å; V272-W293 HydrophobicContact CG2-CH2 3.7Å; V272-W293 HydrophobicContact CG2-CZ2 4.12Å; V272-W293 HydrophobicContact CG2-CZ3 4.04Å; F289-W293 PolarHBondContact O-N 3.43Å; I290-W293 PolarHBondContact O-N 2.86Å; W293-K295 PolarHBondContact O-N 3.49Å; W293-V296 PolarHBondContact O-N 3.17Å; W293-G297 PolarHBondContact O-N 3.47Å; W293-F299 HydrophobicContact CH2-CD1 4.29Å; W293-F299 HydrophobicContact CH2-CE1 4.02Å; W293-F299 HydrophobicContact CH2-CZ 4.44Å
294D59.2Low62.3Low106 Ų10653.3 Ų53.357%0.56728%0.281SS*.Hα-helixtrans-55.9-23175.1-70.2-16.2000113.3I290 Y292I290-D294 VanDerWaalsContact O-CG 3.28Å; I290-D294 PolarHBondContact O-N 3Å; I290-D294 VanDerWaalsContact O-N 3.08Å; Y292-D294 VanDerWaalsContact C-N 3.33Å; Y292-D294 PolarHBondContact O-N 3.34Å
295K55.8Low63.1Low162 Ų16252.1 Ų52.170%0.70427%0.274SS*.Hα-helixtrans-105.1-28.9-175.8-71.7-179-176.5179.80115T291 Y292 W293T291-K295 HydrophobicContact CG2-CD 4.49Å; T291-K295 WeakPolarHBondContact O-CD 3.39Å; T291-K295 VanDerWaalsContact O-CG 3.29Å; T291-K295 WeakPolarHBondContact O-CG 3.22Å; Y292-K295 PolarHBondContact O-N 3.3Å; W293-K295 PolarHBondContact O-N 3.49Å
296V55.1Low63.9Low32 Ų3246.8 Ų46.819%0.19424%0.241CC..Hα-helixtrans-118.6-35.1-164.1-174.10000113.1Y292 W293 R298 L301Y292-V296 HydrophobicContact CD2-CG2 3.9Å; Y292-V296 HydrophobicContact CE1-CB 4.1Å; Y292-V296 HydrophobicContact CE1-CG1 4.38Å; Y292-V296 HydrophobicContact CE1-CG2 4.44Å; Y292-V296 HydrophobicContact CE2-CB 4.17Å; Y292-V296 HydrophobicContact CE2-CG1 4.37Å; Y292-V296 HydrophobicContact CE2-CG2 3.68Å; Y292-V296 HydrophobicContact CG-CG2 4.39Å; Y292-V296 WeakPolarHBondContact O-CG2 3.29Å; Y292-V296 PolarHBondContact O-N 3.37Å; W293-V296 PolarHBondContact O-N 3.17Å; V296-R298 VanDerWaalsContact C-N 3.29Å; V296-R298 HydrophobicContact CG1-CB 4.16Å; V296-R298 HydrophobicContact CG1-CG 4.41Å; V296-R298 WeakPolarHBondContact O-CG 3.17Å; V296-R298 PolarHBondContact O-N 3.01Å; V296-R298 VanDerWaalsContact O-N 3.12Å; V296-L301 HydrophobicContact CG1-CD1 4.15Å
297G58.9Low64.6Low45 Ų4545.6 Ų45.646%0.46424%0.235SC..  trans50.636.3172.100000116.7W293W293-G297 PolarHBondContact O-N 3.47Å
298R63.2Low65.2Low98 Ų9838.1 Ų38.137%0.3720%0.203SC..  trans-122.2128.6-172.5-85.2-172.765.4158.50.4114.1V296 D300 L301V296-R298 VanDerWaalsContact C-N 3.29Å; V296-R298 HydrophobicContact CG1-CB 4.16Å; V296-R298 HydrophobicContact CG1-CG 4.41Å; V296-R298 WeakPolarHBondContact O-CG 3.17Å; V296-R298 PolarHBondContact O-N 3.01Å; V296-R298 VanDerWaalsContact O-N 3.12Å; R298-D300 WeakPolarHBondContact CB-OD1 3.31Å; R298-D300 IonicContact CZ-OD1 3.7Å; R298-D300 IonicContact CZ-OD2 3.45Å; R298-D300 IonicContact NE-OD1 3.5Å; R298-D300 PolarHBondContact NE-OD1 2.86Å; R298-D300 IonicContact NE-OD2 2.62Å; R298-D300 IonicContact NH2-OD1 2.66Å; R298-D300 PolarHBondContact NH2-OD1 3.42Å; R298-D300 VanDerWaalsContact NH2-OD1 3.11Å; R298-D300 IonicContact NH2-OD2 2.73Å; R298-D300 PolarHBondContact NH2-OD2 3.42Å; R298-L301 HydrophobicContact CB-CD1 4.1Å
299F65.2Low66.1Low54 Ų5436.9 Ų36.924%0.23719%0.192CC..G310 helixtrans-79-22.6-178-62.2-77000115.8I255 I256 A259 V268 V272 W293 L301 L302I255-F299 HydrophobicContact CG2-CD1 4.26Å; I255-F299 HydrophobicContact CG2-CE1 4.17Å; I256-F299 HydrophobicContact CD1-CB 4.19Å; I256-F299 HydrophobicContact CG1-CB 3.68Å; I256-F299 HydrophobicContact CG1-CD1 4.13Å; I256-F299 HydrophobicContact CG1-CG 4Å; A259-F299 HydrophobicContact CB-CE1 3.66Å; A259-F299 HydrophobicContact CB-CE2 3.74Å; A259-F299 HydrophobicContact CB-CZ 3.12Å; V268-F299 HydrophobicContact CG1-CE1 3.67Å; V268-F299 HydrophobicContact CG1-CE2 4.45Å; V268-F299 HydrophobicContact CG1-CZ 3.32Å; V272-F299 HydrophobicContact CG2-CE1 4.19Å; W293-F299 HydrophobicContact CH2-CD1 4.29Å; W293-F299 HydrophobicContact CH2-CE1 4.02Å; W293-F299 HydrophobicContact CH2-CZ 4.44Å; F299-L301 PolarHBondContact O-N 2.99Å; F299-L302 HydrophobicContact CB-CD1 4.38Å; F299-L302 HydrophobicContact CD1-CD1 4.29Å; F299-L302 WeakPolarHBondContact O-CD1 3.35Å; F299-L302 WeakPolarHBondContact O-CG 3.21Å; F299-L302 PolarHBondContact O-N 2.93Å
300D61Low67Low51 Ų5136.8 Ų36.827%0.27319%0.192SC..G310 helixtrans-67.6-7.1179.760.2-64.7000113.3R298R298-D300 WeakPolarHBondContact CB-OD1 3.31Å; R298-D300 IonicContact CZ-OD1 3.7Å; R298-D300 IonicContact CZ-OD2 3.45Å; R298-D300 IonicContact NE-OD1 3.5Å; R298-D300 PolarHBondContact NE-OD1 2.86Å; R298-D300 IonicContact NE-OD2 2.62Å; R298-D300 IonicContact NH2-OD1 2.66Å; R298-D300 PolarHBondContact NH2-OD1 3.42Å; R298-D300 VanDerWaalsContact NH2-OD1 3.11Å; R298-D300 IonicContact NH2-OD2 2.73Å; R298-D300 PolarHBondContact NH2-OD2 3.42Å
301L65.2Low67.7Low1 Ų134.3 Ų34.31%0.00518%0.179CC..G310 helixtrans-105.82.7-176.3-56.7169.8000112.5M7 L10 Y292 V296 R298 F299 S303 S304 L305M7-L301 HydrophobicContact CB-CD1 4.13Å; M7-L301 HydrophobicContact CB-CD2 4.26Å; M7-L301 WeakPolarHBondContact O-CD2 3.49Å; L10-L301 HydrophobicContact CB-CD2 4.49Å; Y292-L301 WeakPolarHBondContact OH-CD1 3.15Å; V296-L301 HydrophobicContact CG1-CD1 4.15Å; R298-L301 HydrophobicContact CB-CD1 4.1Å; F299-L301 PolarHBondContact O-N 2.99Å; L301-S303 VanDerWaalsContact C-N 3.26Å; L301-S303 PolarHBondContact O-N 2.98Å; L301-S304 WeakPolarHBondContact O-CB 3.19Å; L301-S304 PolarHBondContact O-N 2.78Å; L301-L305 WeakPolarHBondContact O-CG 3.48Å; L301-L305 PolarHBondContact O-N 3.18Å
302L74.2Confident68.6Low2 Ų233.9 Ų33.91%0.0117%0.171CC..Hα-helixtrans-53.7-43.1175-70.6171.4000111.7F252 I255 I256 V272 F276 F299 S304 L305 Y306F252-L302 HydrophobicContact CB-CD1 4.09Å; F252-L302 HydrophobicContact CD1-CB 4.08Å; F252-L302 HydrophobicContact CD1-CD1 4.22Å; F252-L302 HydrophobicContact CD2-CB 4.08Å; F252-L302 HydrophobicContact CE1-CB 4.2Å; F252-L302 HydrophobicContact CE2-CB 4.19Å; F252-L302 HydrophobicContact CG-CB 4.03Å; F252-L302 HydrophobicContact CG-CD1 4.19Å; F252-L302 HydrophobicContact CZ-CB 4.26Å; I255-L302 HydrophobicContact CG2-CD1 4.23Å; I256-L302 HydrophobicContact CD1-CD1 4.48Å; I256-L302 HydrophobicContact CG1-CD1 4.3Å; V272-L302 HydrophobicContact CG1-CD2 3.91Å; V272-L302 HydrophobicContact CG2-CD2 4.47Å; F276-L302 HydrophobicContact CE2-CD2 3.65Å; F276-L302 HydrophobicContact CZ-CD2 4.2Å; F299-L302 HydrophobicContact CB-CD1 4.38Å; F299-L302 HydrophobicContact CD1-CD1 4.29Å; F299-L302 WeakPolarHBondContact O-CD1 3.35Å; F299-L302 WeakPolarHBondContact O-CG 3.21Å; F299-L302 PolarHBondContact O-N 2.93Å; L302-S304 VanDerWaalsContact C-N 3.28Å; L302-S304 PolarHBondContact O-N 3.44Å; L302-L305 PolarHBondContact O-N 3.38Å; L302-Y306 VanDerWaalsContact O-CB 3.26Å; L302-Y306 WeakPolarHBondContact O-CB 3.29Å; L302-Y306 PolarHBondContact O-N 2.51Å
303S73.4Confident69.6Low13 Ų1339.4 Ų39.49%0.09120%0.197CC..Hα-helixtrans-56.9-40.4174.9-62.90000113.1L301 A307L301-S303 VanDerWaalsContact C-N 3.26Å; L301-S303 PolarHBondContact O-N 2.98Å; S303-A307 VanDerWaalsContact O-CB 3.31Å; S303-A307 WeakPolarHBondContact O-CB 3.47Å; S303-A307 PolarHBondContact O-N 3.43Å
304S71.8Confident70.3Confident3 Ų342.8 Ų42.82%0.02122%0.216CC..Hα-helixtrans-76.8-37.8-176.9-51.50000112M7 L10 L301 L302 A307 E308M7-S304 WeakPolarHBondContact SD-CB 3.15Å; L10-S304 WeakPolarHBondContact CD1-OG 3.28Å; L301-S304 WeakPolarHBondContact O-CB 3.19Å; L301-S304 PolarHBondContact O-N 2.78Å; L302-S304 VanDerWaalsContact C-N 3.28Å; L302-S304 PolarHBondContact O-N 3.44Å; S304-A307 PolarHBondContact O-N 3.37Å; S304-E308 WeakPolarHBondContact O-CB 3.43Å; S304-E308 PolarHBondContact O-N 3.03Å
305L74.4Confident71.2Confident11 Ų1139 Ų396%0.05820%0.197CC..Hα-helixtrans-65.7-44.4174.8-65.2170.3000111M7 F289 Y292 L301 L302 E308 H309M7-L305 HydrophobicContact CE-CD2 3.96Å; F289-L305 HydrophobicContact CD2-CB 4.37Å; F289-L305 HydrophobicContact CD2-CD1 3.93Å; F289-L305 HydrophobicContact CD2-CD2 4.06Å; F289-L305 HydrophobicContact CD2-CG 4.33Å; F289-L305 HydrophobicContact CE2-CB 4.4Å; F289-L305 HydrophobicContact CE2-CD1 3.57Å; F289-L305 HydrophobicContact CE2-CG 4.37Å; Y292-L305 HydrophobicContact CD1-CD1 4.13Å; Y292-L305 HydrophobicContact CD1-CD2 3.78Å; Y292-L305 HydrophobicContact CE1-CD1 3.86Å; Y292-L305 HydrophobicContact CE1-CD2 3.83Å; Y292-L305 HydrophobicContact CE1-CG 4.25Å; Y292-L305 HydrophobicContact CG-CD2 4.38Å; L301-L305 WeakPolarHBondContact O-CG 3.48Å; L301-L305 PolarHBondContact O-N 3.18Å; L302-L305 PolarHBondContact O-N 3.38Å; L305-E308 PolarHBondContact O-N 3.31Å; L305-H309 PolarHBondContact O-N 3.15Å
306Y77.2Confident72.4Confident0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-56.9-51.5172.8175.5-114.8000111.1L57 A60 D64 I67 V248 F252 F276 L279 V281 L302 E308 H309 I310L57-Y306 HydrophobicContact CD1-CD1 3.78Å; L57-Y306 HydrophobicContact CD1-CE1 4.07Å; A60-Y306 HydrophobicContact CB-CD1 3.83Å; A60-Y306 HydrophobicContact CB-CE1 3.59Å; D64-Y306 VanDerWaalsContact CB-OH 3.28Å; D64-Y306 WeakPolarHBondContact CB-OH 3.5Å; D64-Y306 VanDerWaalsContact CG-OH 3.3Å; D64-Y306 PolarHBondContact OD2-OH 3.48Å; I67-Y306 HydrophobicContact CD1-CE2 4.37Å; I67-Y306 WeakPolarHBondContact CD1-OH 3.27Å; V248-Y306 HydrophobicContact CG1-CD1 4.13Å; V248-Y306 HydrophobicContact CG1-CE1 4.15Å; V248-Y306 HydrophobicContact CG2-CE1 4.35Å; F252-Y306 HydrophobicContact CZ-CD1 4.3Å; F252-Y306 HydrophobicContact CZ-CG 4Å; F276-Y306 HydrophobicContact CE1-CD2 4.06Å; F276-Y306 HydrophobicContact CE1-CG 4.33Å; L279-Y306 HydrophobicContact CD1-CD2 4.17Å; L279-Y306 HydrophobicContact CD1-CE2 4.26Å; V281-Y306 HydrophobicContact CG2-CD2 4.22Å; V281-Y306 HydrophobicContact CG2-CE2 3.95Å; L302-Y306 VanDerWaalsContact O-CB 3.26Å; L302-Y306 WeakPolarHBondContact O-CB 3.29Å; L302-Y306 PolarHBondContact O-N 2.51Å; Y306-E308 PolarHBondContact O-N 2.92Å; Y306-H309 WeakPolarHBondContact O-CB 3.49Å; Y306-H309 PolarHBondContact O-N 2.6Å; Y306-I310 HydrophobicContact CD2-CG1 4.17Å; Y306-I310 HydrophobicContact CE1-CG1 4.26Å; Y306-I310 HydrophobicContact CE2-CD1 3.83Å; Y306-I310 HydrophobicContact CE2-CG1 3.64Å; Y306-I310 WeakPolarHBondContact O-CG1 3.41Å; Y306-I310 PolarHBondContact O-N 2.94Å
307A75.9Confident73.5Confident2 Ų237.2 Ų37.22%0.01721%0.205CC..Hα-helixtrans-64.3-38.5179.500000114.3I56 A60 S303 S304 H309 I310 L311I56-A307 HydrophobicContact CB-CB 4.44Å; I56-A307 HydrophobicContact CG2-CB 3.05Å; A60-A307 HydrophobicContact CB-CB 3.59Å; S303-A307 VanDerWaalsContact O-CB 3.31Å; S303-A307 WeakPolarHBondContact O-CB 3.47Å; S303-A307 PolarHBondContact O-N 3.43Å; S304-A307 PolarHBondContact O-N 3.37Å; A307-H309 VanDerWaalsContact C-N 3.31Å; A307-H309 PolarHBondContact O-N 2.75Å; A307-I310 PolarHBondContact O-N 3.08Å; A307-L311 VanDerWaalsContact O-CB 3.31Å; A307-L311 WeakPolarHBondContact O-CB 3.23Å; A307-L311 WeakPolarHBondContact O-CG 3.41Å; A307-L311 PolarHBondContact O-N 3.47Å
308E76Confident74.5Confident16 Ų1636.9 Ų36.98%0.07519%0.193CC..Hα-helixtrans-60.8-43.2174.1175.2165.2-169.500110.8L3 S304 L305 Y306 L311 K312 L319 K323L3-E308 WeakPolarHBondContact CD2-OE2 3.41Å; S304-E308 WeakPolarHBondContact O-CB 3.43Å; S304-E308 PolarHBondContact O-N 3.03Å; L305-E308 PolarHBondContact O-N 3.31Å; Y306-E308 PolarHBondContact O-N 2.92Å; E308-L311 PolarHBondContact O-N 3.46Å; E308-K312 HydrophobicContact CG-CD 4.28Å; E308-K312 HydrophobicContact CG-CG 4.45Å; E308-K312 WeakPolarHBondContact O-CB 3.28Å; E308-K312 VanDerWaalsContact O-CG 3.27Å; E308-K312 WeakPolarHBondContact O-CG 3.45Å; E308-K312 PolarHBondContact O-N 3.43Å; E308-K312 WeakPolarHBondContact OE1-CE 3.48Å; E308-K312 IonicContact OE1-NZ 3.61Å; E308-K312 PolarHBondContact OE1-NZ 2.99Å; E308-L319 HydrophobicContact CG-CD1 4.29Å; E308-L319 HydrophobicContact CG-CD2 4.18Å; E308-K323 IonicContact OE1-NZ 3.38Å; E308-K323 PolarHBondContact OE1-NZ 3.29Å
309H78.1Confident75.3Confident19 Ų1933 Ų339%0.08818%0.179CC..Hα-helixtrans-60.8-50.3175.5-175.289.2000111.7V281 L283 L305 Y306 A307 L311 K312 Q313V281-H309 HydrophobicContact CG1-CB 4.49Å; L283-H309 HydrophobicContact CD2-CB 4Å; L305-H309 PolarHBondContact O-N 3.15Å; Y306-H309 WeakPolarHBondContact O-CB 3.49Å; Y306-H309 PolarHBondContact O-N 2.6Å; A307-H309 VanDerWaalsContact C-N 3.31Å; A307-H309 PolarHBondContact O-N 2.75Å; H309-L311 VanDerWaalsContact C-N 3.32Å; H309-L311 PolarHBondContact O-N 3.23Å; H309-K312 WeakPolarHBondContact O-CB 3.37Å; H309-K312 PolarHBondContact O-N 3.38Å; H309-Q313 WeakPolarHBondContact O-CG 3.01Å; H309-Q313 PolarHBondContact O-N 2.91Å
310I80.2Confident76Confident5 Ų535.1 Ų35.13%0.02620%0.196CC..Hα-helixtrans-60.9-40.8179.6-63.6-51.3000111.9A60 L63 D64 Y306 A307 Q313 N314A60-I310 HydrophobicContact CB-CB 4.42Å; A60-I310 HydrophobicContact CB-CG1 4.47Å; L63-I310 HydrophobicContact CB-CG2 3.99Å; D64-I310 HydrophobicContact CB-CD1 4.05Å; D64-I310 HydrophobicContact CB-CG1 4.24Å; D64-I310 HydrophobicContact CB-CG2 4.07Å; D64-I310 VanDerWaalsContact CG-CD1 3.48Å; D64-I310 WeakPolarHBondContact OD2-CD1 3.13Å; Y306-I310 HydrophobicContact CD2-CG1 4.17Å; Y306-I310 HydrophobicContact CE1-CG1 4.26Å; Y306-I310 HydrophobicContact CE2-CD1 3.83Å; Y306-I310 HydrophobicContact CE2-CG1 3.64Å; Y306-I310 WeakPolarHBondContact O-CG1 3.41Å; Y306-I310 PolarHBondContact O-N 2.94Å; A307-I310 PolarHBondContact O-N 3.08Å; I310-Q313 PolarHBondContact O-N 3.43Å; I310-N314 VanDerWaalsContact CG2-ND2 3.34Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.46Å; I310-N314 WeakPolarHBondContact O-CB 3.17Å; I310-N314 PolarHBondContact O-N 3.32Å; I310-N314 PolarHBondContact O-ND2 3.11Å
311L78.1Confident76.9Confident5 Ų536.2 Ų36.23%0.02620%0.201CC..Hα-helixtrans-70.8-35.7176.7-74.7167.7000112.3L26 L63 A307 E308 H309 Q313 S315 L318 L319 L322L26-L311 HydrophobicContact CD2-CD2 4Å; L63-L311 HydrophobicContact CD1-CD2 3.49Å; L63-L311 VanDerWaalsContact CD1-CD2 3.49Å; L63-L311 HydrophobicContact CD1-CG 4.43Å; A307-L311 VanDerWaalsContact O-CB 3.31Å; A307-L311 WeakPolarHBondContact O-CB 3.23Å; A307-L311 WeakPolarHBondContact O-CG 3.41Å; A307-L311 PolarHBondContact O-N 3.47Å; E308-L311 PolarHBondContact O-N 3.46Å; H309-L311 VanDerWaalsContact C-N 3.32Å; H309-L311 PolarHBondContact O-N 3.23Å; L311-Q313 VanDerWaalsContact C-N 3.28Å; L311-Q313 PolarHBondContact O-N 3.46Å; L311-S315 CarbonylContact O-C 3.6Å; L311-S315 WeakPolarHBondContact O-CA 3.34Å; L311-S315 PolarHBondContact O-N 3.31Å; L311-L318 HydrophobicContact CD2-CB 4.47Å; L311-L319 HydrophobicContact CB-CB 4.04Å; L311-L319 HydrophobicContact CB-CD1 3.97Å; L311-L319 HydrophobicContact CB-CG 4.45Å; L311-L319 HydrophobicContact CD1-CD1 4.01Å; L311-L322 HydrophobicContact CD1-CD2 3.53Å
312K78.7Confident77.6Confident64 Ų6436.5 Ų36.528%0.27820%0.203SC..Hα-helixtrans-59.9-40.7171.9-78.4177.8-173.3170.10111.4D286 S288 E308 H309 P316 L319D286-K312 IonicContact OD1-NZ 3.08Å; D286-K312 PolarHBondContact OD1-NZ 3.48Å; D286-K312 IonicContact OD2-NZ 3.36Å; D286-K312 PolarHBondContact OD2-NZ 2.99Å; S288-K312 PolarHBondContact OG-NZ 3.37Å; E308-K312 HydrophobicContact CG-CD 4.28Å; E308-K312 HydrophobicContact CG-CG 4.45Å; E308-K312 WeakPolarHBondContact O-CB 3.28Å; E308-K312 VanDerWaalsContact O-CG 3.27Å; E308-K312 WeakPolarHBondContact O-CG 3.45Å; E308-K312 PolarHBondContact O-N 3.43Å; E308-K312 WeakPolarHBondContact OE1-CE 3.48Å; E308-K312 IonicContact OE1-NZ 3.61Å; E308-K312 PolarHBondContact OE1-NZ 2.99Å; H309-K312 WeakPolarHBondContact O-CB 3.37Å; H309-K312 PolarHBondContact O-N 3.38Å; K312-P316 WeakPolarHBondContact O-CG 3.32Å; K312-L319 HydrophobicContact CB-CD2 4.46Å; K312-L319 HydrophobicContact CD-CD2 4.43Å; K312-L319 HydrophobicContact CG-CD2 3.41Å; K312-L319 VanDerWaalsContact CG-CD2 3.41Å
313Q78.9Confident77.8Confident132 Ų13238.9 Ų38.962%0.61721%0.213SC*.Hα-helixtrans-73.1-48.5-179.2-67.1-68.65.900112.1H309 I310 L311H309-Q313 WeakPolarHBondContact O-CG 3.01Å; H309-Q313 PolarHBondContact O-N 2.91Å; I310-Q313 PolarHBondContact O-N 3.43Å; L311-Q313 VanDerWaalsContact C-N 3.28Å; L311-Q313 PolarHBondContact O-N 3.46Å
314N76.4Confident78Confident77 Ų7741.2 Ų41.241%0.41222%0.221SC..Hα-helixtrans-84.9-38.2-172.5-70.8-63.2000113.6L63 I310L63-N314 PolarHBondContact O-ND2 3.14Å; I310-N314 VanDerWaalsContact CG2-ND2 3.34Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.46Å; I310-N314 WeakPolarHBondContact O-CB 3.17Å; I310-N314 PolarHBondContact O-N 3.32Å; I310-N314 PolarHBondContact O-ND2 3.11Å
315S77.2Confident78.4Confident26 Ų2642.5 Ų42.518%0.18223%0.226CC..  trans-160.288.4-177.3-169.30000113.3L311 S317 L318 L319L311-S315 CarbonylContact O-C 3.6Å; L311-S315 WeakPolarHBondContact O-CA 3.34Å; L311-S315 PolarHBondContact O-N 3.31Å; S315-S317 PolarHBondContact O-N 3.17Å; S315-S317 PolarHBondContact OG-OG 2.87Å; S315-L318 PolarHBondContact O-N 3.36Å; S315-L318 VanDerWaalsContact O-N 3.13Å; S315-L318 VanDerWaalsContact OG-CG 3.26Å; S315-L318 WeakPolarHBondContact OG-CG 3.39Å; S315-L318 PolarHBondContact OG-N 2.65Å; S315-L319 PolarHBondContact O-N 2.61Å; S315-L319 VanDerWaalsContact O-N 3.14Å
316P80.6Confident78.5Confident81 Ų8142 Ų4253%0.52622%0.223SC..Hα-helixtrans-56.3-33.4176.3-2531.7000113.7K312 L319 V320K312-P316 WeakPolarHBondContact O-CG 3.32Å; P316-L319 WeakPolarHBondContact O-CB 3.3Å; P316-L319 PolarHBondContact O-N 3.05Å; P316-V320 WeakPolarHBondContact O-CG2 3.33Å; P316-V320 PolarHBondContact O-N 2.88Å; P316-V320 VanDerWaalsContact O-N 3.15Å
317S79.7Confident78.2Confident76 Ų7642.8 Ų42.853%0.53123%0.229SC..Hα-helixtrans-65.1-45.217749.30000111.7S315 L319 V320 I321S315-S317 PolarHBondContact O-N 3.17Å; S315-S317 PolarHBondContact OG-OG 2.87Å; S317-L319 VanDerWaalsContact C-N 3.29Å; S317-L319 PolarHBondContact O-N 2.94Å; S317-V320 PolarHBondContact O-N 2.76Å; S317-I321 WeakPolarHBondContact O-CG1 3.46Å; S317-I321 PolarHBondContact O-N 3.28Å; S317-I321 VanDerWaalsContact O-N 3.08Å
318L79.1Confident78.1Confident39 Ų3946.6 Ų46.620%0.20425%0.252CS..Hα-helixtrans-63.3-37.1176-72.7178.7000111.5L25 L26 L311 S315 V320 I321 L322L25-L318 VanDerWaalsContact O-CD2 3.31Å; L25-L318 WeakPolarHBondContact O-CD2 3.35Å; L26-L318 HydrophobicContact CD2-CB 4.08Å; L26-L318 HydrophobicContact CD2-CD1 4.28Å; L311-L318 HydrophobicContact CD2-CB 4.47Å; S315-L318 PolarHBondContact O-N 3.36Å; S315-L318 VanDerWaalsContact O-N 3.13Å; S315-L318 VanDerWaalsContact OG-CG 3.26Å; S315-L318 WeakPolarHBondContact OG-CG 3.39Å; S315-L318 PolarHBondContact OG-N 2.65Å; L318-V320 VanDerWaalsContact C-N 3.33Å; L318-V320 PolarHBondContact O-N 3.05Å; L318-I321 PolarHBondContact O-N 3.5Å; L318-L322 VanDerWaalsContact O-CB 3.27Å; L318-L322 WeakPolarHBondContact O-CB 3.38Å; L318-L322 PolarHBondContact O-N 3.19Å
319L80.6Confident78Confident15 Ų1550.3 Ų50.38%0.07927%0.268CS..Hα-helixtrans-58.9-43.9174-177.160.6000112.1E308 L311 K312 S315 P316 S317 K323E308-L319 HydrophobicContact CG-CD1 4.29Å; E308-L319 HydrophobicContact CG-CD2 4.18Å; L311-L319 HydrophobicContact CB-CB 4.04Å; L311-L319 HydrophobicContact CB-CD1 3.97Å; L311-L319 HydrophobicContact CB-CG 4.45Å; L311-L319 HydrophobicContact CD1-CD1 4.01Å; K312-L319 HydrophobicContact CB-CD2 4.46Å; K312-L319 HydrophobicContact CD-CD2 4.43Å; K312-L319 HydrophobicContact CG-CD2 3.41Å; K312-L319 VanDerWaalsContact CG-CD2 3.41Å; S315-L319 PolarHBondContact O-N 2.61Å; S315-L319 VanDerWaalsContact O-N 3.14Å; P316-L319 WeakPolarHBondContact O-CB 3.3Å; P316-L319 PolarHBondContact O-N 3.05Å; S317-L319 VanDerWaalsContact C-N 3.29Å; S317-L319 PolarHBondContact O-N 2.94Å; L319-K323 HydrophobicContact CD1-CD 4.27Å; L319-K323 HydrophobicContact CD1-CG 4.31Å; L319-K323 HydrophobicContact CG-CD 4.16Å; L319-K323 VanDerWaalsContact O-CB 3.29Å; L319-K323 WeakPolarHBondContact O-CB 3.46Å; L319-K323 VanDerWaalsContact O-CG 3.28Å; L319-K323 WeakPolarHBondContact O-CG 3.45Å; L319-K323 PolarHBondContact O-N 2.75Å
320V79.5Confident77.6Confident99 Ų9950.3 Ų50.360%0.627%0.268SS*.Hα-helixtrans-63.1-44.5177.8173.10000110.7P316 S317 L318 K323 K324P316-V320 WeakPolarHBondContact O-CG2 3.33Å; P316-V320 PolarHBondContact O-N 2.88Å; P316-V320 VanDerWaalsContact O-N 3.15Å; S317-V320 PolarHBondContact O-N 2.76Å; L318-V320 VanDerWaalsContact C-N 3.33Å; L318-V320 PolarHBondContact O-N 3.05Å; V320-K323 PolarHBondContact O-N 3.06Å; V320-K324 WeakPolarHBondContact O-CB 3.34Å; V320-K324 PolarHBondContact O-N 3.06Å
321I79.2Confident76.8Confident75 Ų7552.5 Ų52.539%0.38528%0.28SS..Hα-helixtrans-66.3-44.6179.7-59166.7000110.5L25 S317 L318 K323 K324 Y325L25-I321 HydrophobicContact CD1-CG2 3.79Å; L25-I321 HydrophobicContact CD2-CB 4.16Å; L25-I321 HydrophobicContact CD2-CG2 3.66Å; L25-I321 HydrophobicContact CG-CG2 3.89Å; S317-I321 WeakPolarHBondContact O-CG1 3.46Å; S317-I321 PolarHBondContact O-N 3.28Å; S317-I321 VanDerWaalsContact O-N 3.08Å; L318-I321 PolarHBondContact O-N 3.5Å; I321-K323 PolarHBondContact O-N 3.37Å; I321-K324 CarbonylContact O-C 3.57Å; I321-K324 WeakPolarHBondContact O-CB 3.5Å; I321-K324 PolarHBondContact O-N 3.39Å; I321-K324 VanDerWaalsContact O-N 3.15Å; I321-Y325 WeakPolarHBondContact O-CB 3.42Å; I321-Y325 PolarHBondContact O-N 2.88Å
322L80.6Confident75.5Confident6 Ų663.8 Ų63.83%0.03132%0.322CS..Hα-helixtrans-63.3-42.4177.8-179.364.5000111.4Y6 I22 L25 L311 L318 K324 Y325 L326Y6-L322 PolarHBondContact OH-O 3.05Å; I22-L322 HydrophobicContact CG1-CD1 4.35Å; I22-L322 HydrophobicContact CG2-CD1 4Å; L25-L322 HydrophobicContact CD2-CB 4.33Å; L311-L322 HydrophobicContact CD1-CD2 3.53Å; L318-L322 VanDerWaalsContact O-CB 3.27Å; L318-L322 WeakPolarHBondContact O-CB 3.38Å; L318-L322 PolarHBondContact O-N 3.19Å; L322-K324 VanDerWaalsContact C-N 3.31Å; L322-K324 PolarHBondContact O-N 2.97Å; L322-Y325 PolarHBondContact O-N 3.35Å; L322-L326 HydrophobicContact CD1-CD1 3.85Å; L322-L326 HydrophobicContact CD1-CG 4.2Å; L322-L326 HydrophobicContact CG-CD1 3.99Å; L322-L326 WeakPolarHBondContact O-CB 3.46Å; L322-L326 PolarHBondContact O-N 3.5Å
323K78.9Confident74Confident53 Ų5366.2 Ų66.223%0.2334%0.338CS..Hα-helixtrans-58.5-44.4171.9-79.3178.8175.8177.40111.1Y6 E308 L319 V320 I321 S327Y6-K323 WeakPolarHBondContact CE2-O 3.15Å; Y6-K323 WeakPolarHBondContact OH-CA 3.36Å; E308-K323 IonicContact OE1-NZ 3.38Å; E308-K323 PolarHBondContact OE1-NZ 3.29Å; L319-K323 HydrophobicContact CD1-CD 4.27Å; L319-K323 HydrophobicContact CD1-CG 4.31Å; L319-K323 HydrophobicContact CG-CD 4.16Å; L319-K323 VanDerWaalsContact O-CB 3.29Å; L319-K323 WeakPolarHBondContact O-CB 3.46Å; L319-K323 VanDerWaalsContact O-CG 3.28Å; L319-K323 WeakPolarHBondContact O-CG 3.45Å; L319-K323 PolarHBondContact O-N 2.75Å; V320-K323 PolarHBondContact O-N 3.06Å; I321-K323 PolarHBondContact O-N 3.37Å; K323-S327 WeakPolarHBondContact O-CB 3.03Å; K323-S327 PolarHBondContact O-N 2.98Å; K323-S327 PolarHBondContact O-OG 3.49Å
324K76.1Confident72.2Confident61 Ų6170.1 Ų70.127%0.26535%0.347SS..Hα-helixtrans-62.6-49176.9-167.5168.7-176176.10111.7V320 I321 L322 L326 S327 V328 L340 L345V320-K324 WeakPolarHBondContact O-CB 3.34Å; V320-K324 PolarHBondContact O-N 3.06Å; I321-K324 CarbonylContact O-C 3.57Å; I321-K324 WeakPolarHBondContact O-CB 3.5Å; I321-K324 PolarHBondContact O-N 3.39Å; I321-K324 VanDerWaalsContact O-N 3.15Å; L322-K324 VanDerWaalsContact C-N 3.31Å; L322-K324 PolarHBondContact O-N 2.97Å; K324-L326 PolarHBondContact O-N 3.37Å; K324-S327 VanDerWaalsContact CA-OG 3.3Å; K324-S327 WeakPolarHBondContact CA-OG 3.49Å; K324-S327 PolarHBondContact O-N 2.96Å; K324-S327 PolarHBondContact O-OG 2.96Å; K324-V328 WeakPolarHBondContact O-CG2 3.36Å; K324-V328 PolarHBondContact O-N 2.99Å; K324-L340 PolarHBondContact NZ-O 3.36Å; K324-L345 HydrophobicContact CD-CD1 3.53Å; K324-L345 VanDerWaalsContact CE-CD1 3.43Å; K324-L345 HydrophobicContact CG-CD1 4Å
325Y80.5Confident70.5Confident31 Ų3173.3 Ų73.312%0.12236%0.364CS..Hα-helixtrans-56.6-52.5177.9178.7-95000112D18 N21 I22 L25 I321 L322 S327 V328 K329D18-Y325 PolarHBondContact OD1-OH 3.23Å; N21-Y325 HydrophobicContact CB-CE2 4.13Å; N21-Y325 VanDerWaalsContact CB-OH 3.23Å; N21-Y325 WeakPolarHBondContact CB-OH 3.25Å; N21-Y325 PolarHBondContact ND2-OH 2.94Å; I22-Y325 HydrophobicContact CD1-CE1 4.34Å; I22-Y325 HydrophobicContact CG1-CD1 4.11Å; I22-Y325 HydrophobicContact CG1-CE1 3.76Å; L25-Y325 HydrophobicContact CD1-CD2 4.24Å; L25-Y325 HydrophobicContact CD1-CG 4.33Å; I321-Y325 WeakPolarHBondContact O-CB 3.42Å; I321-Y325 PolarHBondContact O-N 2.88Å; L322-Y325 PolarHBondContact O-N 3.35Å; Y325-S327 VanDerWaalsContact C-N 3.32Å; Y325-S327 PolarHBondContact O-N 3.34Å; Y325-V328 PolarHBondContact O-N 2.95Å; Y325-K329 HydrophobicContact CD1-CG 4.34Å; Y325-K329 HydrophobicContact CE1-CG 3.9Å; Y325-K329 HydrophobicContact CE2-CG 4.36Å; Y325-K329 WeakPolarHBondContact O-CB 3.45Å; Y325-K329 WeakPolarHBondContact O-CG 3.27Å; Y325-K329 PolarHBondContact O-N 2.75Å
326L76.4Confident68.8Low0 Ų080.4 Ų80.40%039%0.392CS..Hα-helixtrans-69.4-30.3-179-75.2174.3000112Y6 L10 I22 Y52 I56 L322 K324 K329 L330Y6-L326 HydrophobicContact CD2-CB 4.21Å; Y6-L326 HydrophobicContact CE1-CD1 4.35Å; Y6-L326 HydrophobicContact CE2-CB 3.13Å; Y6-L326 HydrophobicContact CE2-CD1 4.32Å; Y6-L326 HydrophobicContact CE2-CG 4.3Å; Y6-L326 WeakPolarHBondContact OH-CB 3.14Å; Y6-L326 WeakPolarHBondContact OH-CD1 3.18Å; L10-L326 HydrophobicContact CD2-CD1 4.22Å; I22-L326 HydrophobicContact CD1-CD2 4.26Å; Y52-L326 HydrophobicContact CD1-CD2 3.29Å; Y52-L326 HydrophobicContact CE1-CD2 3.23Å; Y52-L326 HydrophobicContact CG-CD2 4.34Å; I56-L326 HydrophobicContact CD1-CD1 3.85Å; L322-L326 HydrophobicContact CD1-CD1 3.85Å; L322-L326 HydrophobicContact CD1-CG 4.2Å; L322-L326 HydrophobicContact CG-CD1 3.99Å; L322-L326 WeakPolarHBondContact O-CB 3.46Å; L322-L326 PolarHBondContact O-N 3.5Å; K324-L326 PolarHBondContact O-N 3.37Å; L326-K329 PolarHBondContact O-N 3.43Å; L326-L330 HydrophobicContact CB-CD1 4.32Å; L326-L330 HydrophobicContact CD2-CD1 4.12Å; L326-L330 HydrophobicContact CD2-CG 4.48Å; L326-L330 VanDerWaalsContact O-CB 3.26Å; L326-L330 WeakPolarHBondContact O-CB 3.29Å; L326-L330 WeakPolarHBondContact O-CG 3.45Å; L326-L330 PolarHBondContact O-N 2.9Å
327S70.8Confident66.6Low16 Ų1678.4 Ų78.411%0.11238%0.38CS..Hα-helixtrans-65.8-40.9172.362.30000112.2K323 K324 Y325 K329 L331K323-S327 WeakPolarHBondContact O-CB 3.03Å; K323-S327 PolarHBondContact O-N 2.98Å; K323-S327 PolarHBondContact O-OG 3.49Å; K324-S327 VanDerWaalsContact CA-OG 3.3Å; K324-S327 WeakPolarHBondContact CA-OG 3.49Å; K324-S327 PolarHBondContact O-N 2.96Å; K324-S327 PolarHBondContact O-OG 2.96Å; Y325-S327 VanDerWaalsContact C-N 3.32Å; Y325-S327 PolarHBondContact O-N 3.34Å; S327-K329 VanDerWaalsContact C-N 3.34Å; S327-L331 VanDerWaalsContact O-CB 3.27Å; S327-L331 WeakPolarHBondContact O-CB 3.48Å; S327-L331 PolarHBondContact O-N 3.19Å; S327-L331 VanDerWaalsContact O-N 3.11Å
328V73.7Confident64.4Low83 Ų8382 Ų8250%0.50339%0.388SS..Hα-helixtrans-65.7-38.9174.2172.90000111K324 Y325K324-V328 WeakPolarHBondContact O-CG2 3.36Å; K324-V328 PolarHBondContact O-N 2.99Å; Y325-V328 PolarHBondContact O-N 2.95Å
329K73.8Confident62.3Low94 Ų9486.4 Ų86.441%0.40942%0.42SS..Hα-helixtrans-77.7-40.9-176-77.6-72.3-174.5152.50114.5D18 Y325 L326 S327D18-K329 WeakPolarHBondContact OD1-CE 3.28Å; D18-K329 IonicContact OD1-NZ 2.8Å; D18-K329 PolarHBondContact OD1-NZ 2.91Å; Y325-K329 HydrophobicContact CD1-CG 4.34Å; Y325-K329 HydrophobicContact CE1-CG 3.9Å; Y325-K329 HydrophobicContact CE2-CG 4.36Å; Y325-K329 WeakPolarHBondContact O-CB 3.45Å; Y325-K329 WeakPolarHBondContact O-CG 3.27Å; Y325-K329 PolarHBondContact O-N 2.75Å; L326-K329 PolarHBondContact O-N 3.43Å; S327-K329 VanDerWaalsContact C-N 3.34Å
330L69.7Low60.2Low18 Ų1892.4 Ų92.49%0.09445%0.452CS..Hα-helixtrans-94.7-33.7-172.1-60.1174.7000112.3Q9 L10 T12 Y52 L326Q9-L330 HydrophobicContact CB-CB 4.05Å; Q9-L330 HydrophobicContact CB-CD1 4.07Å; Q9-L330 HydrophobicContact CB-CD2 4.39Å; Q9-L330 HydrophobicContact CB-CG 4.41Å; Q9-L330 VanDerWaalsContact CD-O 3.31Å; Q9-L330 PolarHBondContact NE2-O 3.34Å; Q9-L330 PolarHBondContact OE1-O 3.48Å; L10-L330 HydrophobicContact CD2-CD1 3.82Å; T12-L330 WeakPolarHBondContact OG1-CD2 2.9Å; Y52-L330 HydrophobicContact CD2-CD2 4.07Å; Y52-L330 HydrophobicContact CE2-CD2 3.77Å; L326-L330 HydrophobicContact CB-CD1 4.32Å; L326-L330 HydrophobicContact CD2-CD1 4.12Å; L326-L330 HydrophobicContact CD2-CG 4.48Å; L326-L330 VanDerWaalsContact O-CB 3.26Å; L326-L330 WeakPolarHBondContact O-CB 3.29Å; L326-L330 WeakPolarHBondContact O-CG 3.45Å; L326-L330 PolarHBondContact O-N 2.9Å
331L63.4Low58Low51 Ų5190.3 Ų90.327%0.26744%0.439SS..  trans-97.999178.5-57.7160.7000109.1A5 S327 N333A5-L331 HydrophobicContact CB-CD2 4.27Å; S327-L331 VanDerWaalsContact O-CB 3.27Å; S327-L331 WeakPolarHBondContact O-CB 3.48Å; S327-L331 PolarHBondContact O-N 3.19Å; S327-L331 VanDerWaalsContact O-N 3.11Å; L331-N333 PolarHBondContact O-N 3.01Å
332R52.6Low55.8Low243 Ų24389.1 Ų89.192%0.91745%0.446SS*.  trans-66.934.6174.1-72.3-172.1175.9-167.7-1114.5
333N45.5Very low53.7Low115 Ų11596.8 Ų96.862%0.61548%0.481SS*.  trans-106.590.1172.7-93-13.2000109.7L331 D335L331-N333 PolarHBondContact O-N 3.01Å; N333-D335 VanDerWaalsContact C-N 3.3Å; N333-D335 PolarHBondContact O-N 3.31Å
334W41.1Very low51.7Low213 Ų213102.7 Ų102.781%0.80751%0.509SS*.G310 helixtrans-58.8-40.1177.3-121.2-36.4000112.1K336 C337W334-K336 VanDerWaalsContact C-N 3.3Å; W334-K336 PolarHBondContact O-N 3.41Å; W334-K336 VanDerWaalsContact O-N 3.14Å; W334-C337 PolarHBondContact O-N 3.36Å; W334-C337 VanDerWaalsContact O-N 3.15Å
335D41.4Very low49.7Very low144 Ų144102.5 Ų102.577%0.7751%0.511SS*.G310 helixtrans-67.8-20.1-166.2-55.4-21.7000115.3N333N333-D335 VanDerWaalsContact C-N 3.3Å; N333-D335 PolarHBondContact O-N 3.31Å
336K41.6Very low47.7Very low176 Ų176103.3 Ų103.377%0.76552%0.519SS*.G310 helixtrans-95.4-14.8177.8-80.9-174.6178.5177.70114W334W334-K336 VanDerWaalsContact C-N 3.3Å; W334-K336 PolarHBondContact O-N 3.41Å; W334-K336 VanDerWaalsContact O-N 3.14Å
337C34.8Very low45.6Very low39 Ų39108.4 Ų108.426%0.26455%0.546SS..THydrogen-bonded Turntrans-89.2-27.3-178-78.20000112.5W334 C339 L340 V341W334-C337 PolarHBondContact O-N 3.36Å; W334-C337 VanDerWaalsContact O-N 3.15Å; C337-C339 VanDerWaalsContact C-N 3.27Å; C337-C339 PolarHBondContact O-N 3.03Å; C337-L340 PolarHBondContact O-N 3.48Å; C337-L340 VanDerWaalsContact O-N 3.08Å; C337-V341 WeakPolarHBondContact O-CG2 3.19Å
338E33.8Very low43.9Very low152 Ų152113.2 Ų113.271%0.7157%0.57SS**G310 helixtrans-56.1-36.3-177.6-108.8-173.7162.900113.7L340 V341E338-L340 PolarHBondContact O-N 2.77Å; E338-L340 VanDerWaalsContact O-N 3.08Å; E338-V341 PolarHBondContact O-N 2.97Å
339C35Very low41.9Very low131 Ų131112.1 Ų112.189%0.88557%0.566SS**G310 helixtrans-65.4-13.3179.4-105.90000115.2C337C337-C339 VanDerWaalsContact C-N 3.27Å; C337-C339 PolarHBondContact O-N 3.03Å
340L35.2Very low39.9Very low141 Ų141114.1 Ų114.174%0.73858%0.575SS**G310 helixtrans-119.16.6-176.3-76162.6000113.3K324 C337 E338 G342K324-L340 PolarHBondContact NZ-O 3.36Å; C337-L340 PolarHBondContact O-N 3.48Å; C337-L340 VanDerWaalsContact O-N 3.08Å; E338-L340 PolarHBondContact O-N 2.77Å; E338-L340 VanDerWaalsContact O-N 3.08Å; L340-G342 PolarHBondContact O-N 2.97Å
341V33.9Very low38Very low54 Ų54123 Ų12333%0.32761%0.607SS.*  trans-90.387.9177.4-178.70000109.2C337 E338 V346C337-V341 WeakPolarHBondContact O-CG2 3.19Å; E338-V341 PolarHBondContact O-N 2.97Å; V341-V346 HydrophobicContact CG1-CG2 3.67Å
342G32.5Very low36.5Very low51 Ų51125.7 Ų125.753%0.52663%0.626SS.*  trans-65148.6151.500000110.3L340 Q344L340-G342 PolarHBondContact O-N 2.97Å; G342-Q344 PolarHBondContact O-N 3.46Å
343E37.2Very low35.4Very low166 Ų166120.9 Ų120.978%0.77661%0.614SS**THydrogen-bonded Turntrans-51.1-12.4-164.8-69.1-179.6136.200117.7L345 V346E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 2.88Å; E343-V346 PolarHBondContact O-N 3.49Å
344Q36.2Very low34.4Very low177 Ų177120 Ų12083%0.82762%0.617SS**THydrogen-bonded Turntrans-66.4-26.2-175.6-69.5-172.4-3.600114.6G342G342-Q344 PolarHBondContact O-N 3.46Å
345L33.8Very low33.6Very low57 Ų57115.6 Ų115.630%0.29862%0.617SS.*THydrogen-bonded Turntrans-91.7-24.2177.1-87.7162.1000113.9K324 E343 N347 L348 S349K324-L345 HydrophobicContact CD-CD1 3.53Å; K324-L345 VanDerWaalsContact CE-CD1 3.43Å; K324-L345 HydrophobicContact CG-CD1 4Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 2.88Å; L345-N347 PolarHBondContact O-N 2.88Å; L345-L348 HydrophobicContact CD2-CD1 4.42Å; L345-L348 PolarHBondContact O-N 3.25Å; L345-L348 VanDerWaalsContact O-N 3.07Å; L345-S349 PolarHBondContact O-N 2.89Å
346V38.5Very low32.9Very low48 Ų48113.6 Ų113.629%0.29161%0.614SS.*Hα-helixtrans-63.2-29.6176.7177.10000110.7V341 E343 L348 S349 K350V341-V346 HydrophobicContact CG1-CG2 3.67Å; E343-V346 PolarHBondContact O-N 3.49Å; V346-L348 VanDerWaalsContact C-N 3.34Å; V346-L348 PolarHBondContact O-N 2.93Å; V346-S349 PolarHBondContact O-OG 3.38Å; V346-K350 HydrophobicContact CG1-CD 3.86Å; V346-K350 VanDerWaalsContact CG1-CE 3.48Å; V346-K350 HydrophobicContact CG1-CG 4.2Å; V346-K350 WeakPolarHBondContact O-CB 3.32Å; V346-K350 VanDerWaalsContact O-CG 3.28Å; V346-K350 WeakPolarHBondContact O-CG 3.48Å; V346-K350 PolarHBondContact O-N 3.35Å
347N33.9Very low32.1Very low107 Ų107114 Ų11457%0.57262%0.619SS**Hα-helixtrans-73.3-21.9175.9-73.1-22.4000114.2L345L345-N347 PolarHBondContact O-N 2.88Å
348L34.4Very low31.5Very low117 Ų117119.9 Ų119.961%0.61365%0.647SS**Hα-helixtrans-83.9-36175-92.6142000111.9L345 V346L345-L348 HydrophobicContact CD2-CD1 4.42Å; L345-L348 PolarHBondContact O-N 3.25Å; L345-L348 VanDerWaalsContact O-N 3.07Å; V346-L348 VanDerWaalsContact C-N 3.34Å; V346-L348 PolarHBondContact O-N 2.93Å
349S32.7Very low31Very low60 Ų60121.2 Ų121.242%0.4266%0.655SS.*Hα-helixtrans-76.5-35.8175.774.80000112.8L345 V346 R351 T352 E353L345-S349 PolarHBondContact O-N 2.89Å; V346-S349 PolarHBondContact O-OG 3.38Å; S349-R351 PolarHBondContact O-N 2.91Å; S349-T352 WeakPolarHBondContact CA-OG1 3.38Å; S349-T352 PolarHBondContact O-N 2.98Å; S349-T352 PolarHBondContact O-OG1 2.81Å; S349-E353 PolarHBondContact O-N 2.93Å
350K31.5Very low30.4Very low136 Ų136124.4 Ų124.459%0.59166%0.657SS**Hα-helixtrans-63.1-26.5172.9-75.8-178.8177.9178.60112.6V346 T352V346-K350 HydrophobicContact CG1-CD 3.86Å; V346-K350 VanDerWaalsContact CG1-CE 3.48Å; V346-K350 HydrophobicContact CG1-CG 4.2Å; V346-K350 WeakPolarHBondContact O-CB 3.32Å; V346-K350 VanDerWaalsContact O-CG 3.28Å; V346-K350 WeakPolarHBondContact O-CG 3.48Å; V346-K350 PolarHBondContact O-N 3.35Å; K350-T352 VanDerWaalsContact C-N 3.33Å
351R28.2Very low29.9Very low205 Ų205122.8 Ų122.877%0.77466%0.657SS**Hα-helixtrans-75.4-16.7170.7-97-178.3176.1176.2-0.3114.2S349S349-R351 PolarHBondContact O-N 2.91Å
352T32.4Very low29.7Very low108 Ų108125.7 Ų125.766%0.66368%0.678SS**Hα-helixtrans-92.9-16.7175.345.90000113.9S349 K350S349-T352 WeakPolarHBondContact CA-OG1 3.38Å; S349-T352 PolarHBondContact O-N 2.98Å; S349-T352 PolarHBondContact O-OG1 2.81Å; K350-T352 VanDerWaalsContact C-N 3.33Å
353E29.8Very low29.3Very low142 Ų142131.4 Ų131.466%0.66470%0.695SS**Hα-helixtrans-85.7-17.1175.8-75.8179.6170.700113.7S349 C355 S356S349-E353 PolarHBondContact O-N 2.93Å; E353-C355 VanDerWaalsContact C-N 3.29Å; E353-C355 PolarHBondContact O-N 3.33Å; E353-S356 PolarHBondContact O-OG 2.67Å
354S25.6Very low28.6Very low96 Ų96127.2 Ų127.267%0.67168%0.684SS**THydrogen-bonded Turntrans-85.415.9177.483.80000115.4
355C23.8Very low28Very low120 Ų120127.8 Ų127.881%0.81168%0.684SS**THydrogen-bonded Turntrans-116.236.5171.2-90.80000112E353E353-C355 VanDerWaalsContact C-N 3.29Å; E353-C355 PolarHBondContact O-N 3.33Å
356S25.8Very low27.5Very low102 Ų102133.4 Ų133.471%0.71371%0.709SS**  trans-11529.7175.8530000113.6E353E353-S356 PolarHBondContact O-OG 2.67Å
357E24.3Very low27.1Very low185 Ų185135.7 Ų135.786%0.86472%0.724SS**SBendtrans-119.610.1175.8-83.8-171.2170.200115.5
358L23.7Very low26.5Very low163 Ų163137.2 Ų137.285%0.85373%0.732SS**SBendtrans-132.982.2171.8-69.1173.2000109.3
359M23.5Very low25.9Very low180 Ų180137.7 Ų137.789%0.88774%0.735SS**  trans170.455147.9-85.3-72.9100.900108.4
360E21.8Very low25.4Very low198 Ų198139 Ų13993%0.92574%0.744SS**  trans-87.1107.9152.3-83.7-167.4156.900107.7
361S24.9Very low24.9Very low106 Ų106137.9 Ų137.974%0.74175%0.754SS**  trans-150.8133135.461.90000109.7
362P28.5Very low24.8Very low116 Ų116134.1 Ų134.175%0.75376%0.759SS**  trans-103.2121.1-17032.5-19.3000111.6
363L24.1Very low24.4Very low170 Ų170137.4 Ų137.489%0.8977%0.767SS**  trans-11582.4152.5-73.7168.1000105.2
364S22.6Very low23.9Very low78 Ų78138.1 Ų138.155%0.54577%0.774SS.*  59107.977.494.80000113.2
365K24Very low23.7Very low189 Ų189139 Ų13982%0.82278%0.78SS**  trans72.7132.6147.7-60.5179.4-179179.60115
366Q24.2Very low23.9Very low176 Ų176138.7 Ų138.782%0.82278%0.777SS**  cis-176.6-178.622.6-121.5-172.9-24.900108.4
367P30.1Very low23.7Very low95 Ų95139.7 Ų139.762%0.61778%0.782SS**  trans-123.2-170.1-132.623.63.7000114.2
368L20.6Very low23.5Very low139 Ų139140.1 Ų140.173%0.72878%0.781SS**  trans74.8140.5166.7-67.3106.7000114.1
369D21.9Very low23.5Very low127 Ų127140.1 Ų140.168%0.67978%0.782SS**  cis-164.1152.125.1-128.9-21.9000112.4
370S22.6Very low23.3Very low87 Ų87136 Ų13661%0.60877%0.77SS**  trans35.6119.6143.162.60000122.5
371S21.2Very low23.3Very low114 Ų114133.9 Ų133.980%0.79777%0.765SS**  trans56.3106.3133.164.90000120.2
372S26.1Very low23.2Very low125 Ų125133 Ų13387%0.87476%0.759SS**  trans-144.1123.1134.354.30000110.1
373Q22.8Very low23Very low178 Ų178135.5 Ų135.583%0.83277%0.766SS**  trans-69.4144177.5-74.4164.8-21.500111
374L20.1Very low22.8Very low157 Ų157137.4 Ų137.482%0.82276%0.763SS**  trans34124.9133.4-69.2150.1000119.5
375S21.5Very low22.9Very low114 Ų114139.9 Ų139.980%0.79778%0.775SS**  126.5146.5126.972.30000115.9
376P28Very low22.7Very low114 Ų114135.2 Ų135.274%0.7477%0.766SS**  trans-103133.6-155.334.7-23.7000113.3F378P376-F378 PolarHBondContact O-N 2.9Å
377C21.8Very low22.7Very low122 Ų122134.4 Ų134.482%0.82477%0.765SS**  trans-77.4112.5175.9-66.60000111.7
378F19.6Very low22.2Very low194 Ų194136.6 Ų136.685%0.85177%0.772SS**  trans-60.3130.1148.5-83.6-96.2000109.1P376P376-F378 PolarHBondContact O-N 2.9Å
379L24.3Very low22.3Very low164 Ų164134.3 Ų134.386%0.85977%0.767SS**  trans-125.687.6160.6-78.6171.5000107.7
380S18.5Very low22.3Very low92 Ų92135.7 Ų135.764%0.64378%0.775SS**  trans-83.8124.914050.10000106.6
381D22.8Very low22.4Very low154 Ų154135.5 Ų135.582%0.82478%0.779SS**  trans-162139.3138.6-97.2-22.6000112.3
382S21.4Very low22.4Very low87 Ų87138.8 Ų138.861%0.60878%0.781SS**  trans-52.6139.1174.649.10000114.5
383N25.3Very low22Very low170 Ų170139.5 Ų139.591%0.90978%0.781SS**  trans-110.593.1150.1-89.1-28.7000109
384Y20.4Very low21.9Very low209 Ų209136.8 Ų136.882%0.8278%0.779SS**  trans-68.1128.1156-108.9-101.2000108.5
385V23.9Very low21.9Very low130 Ų130134.4 Ų134.479%0.78878%0.775SS**  trans-120.896.9154.8177.40000106.9
386S20.4Very low22Very low91 Ų91137.4 Ų137.464%0.63678%0.781SS**  trans-71.613016543.20000110.3
387I23Very low21.7Very low159 Ų159137.6 Ų137.682%0.81579%0.785SS**  trans-112.6105.7158.8-64.8177.7000106.3
388N19.8Very low21.7Very low142 Ų142136.2 Ų136.276%0.75978%0.783SS**  trans-56.9149.8156-73.6-26.5000108
389S23.2Very low21.8Very low90 Ų90132.8 Ų132.863%0.62978%0.781SS**  178.2145.562.9460000110.2
390D21.1Very low21.6Very low157 Ų157129.3 Ų129.384%0.8477%0.771SS**  trans67131.4151.5-50.8-29.6000117.3
391A25Very low21.8Very low83 Ų83130.3 Ų130.369%0.68678%0.778SS**  cis-161.2148.125.800000111
392Q20.5Very low21.8Very low182 Ų182130.6 Ų130.685%0.8578%0.778SS**  trans62.796.1146.5-66.8175.52.600119.1P394Q392-P394 WeakPolarHBondContact O-CD 3.43Å
393T17.8Very low21.8Very low140 Ų140132 Ų13286%0.85979%0.786SS**  trans-52135.4139.640.60000112.3
394P22.5Very low21.7Very low122 Ų122131.5 Ų131.579%0.79278%0.782SS**  trans-111.5136.1137.821.8-6.1000110.8Q392Q392-P394 WeakPolarHBondContact O-CD 3.43Å
395S20.1Very low21.8Very low106 Ų106127.1 Ų127.174%0.74178%0.779SS**  trans-54.5148.6175.345.90000115.5
396L21.8Very low21.8Very low178 Ų178129.2 Ų129.293%0.93278%0.777SS**  trans-11.1119.4145-73.1129.6000116
397S22.8Very low21.9Very low117 Ų117130 Ų13082%0.81878%0.783SS**  trans-160.1128.8141.558.60000110.5
398A21.7Very low22Very low94 Ų94126.6 Ų126.678%0.77777%0.767SS**  trans-50.8140.6169.500000112.4
399C21Very low22.4Very low121 Ų121124.8 Ų124.882%0.81877%0.765SS**  trans-177.6112.9142-99.70000110.4
400S21.4Very low22.8Very low92 Ų92127.8 Ų127.864%0.64376%0.763SS**  trans34.3110.6136.558.70000119.4
401S22.5Very low23.2Very low112 Ų112125.3 Ų125.378%0.78375%0.748SS**  trans40.788.3130.961.80000117.5
402L22.1Very low23.5Very low160 Ų160128.6 Ų128.684%0.83874%0.743SS**  trans-135.9120.1143.1-97.9126.4000108.2L404L402-L404 PolarHBondContact O-N 3.32Å
403P22.6Very low24.1Very low118 Ų118121.5 Ų121.577%0.76671%0.711SS**PPolyproline II helixtrans-70.9116.4178.128.1-29.4000108.4
404L22.4Very low24.6Very low159 Ų159121.2 Ų121.283%0.83270%0.704SS**PPolyproline II helixtrans-54.4127.2163-85.4145.6000107.8L402 K406L402-L404 PolarHBondContact O-N 3.32Å; L404-K406 PolarHBondContact O-N 3.39Å
405P22.5Very low25.1Very low116 Ų116123.4 Ų123.475%0.75371%0.709SS**PPolyproline II helixtrans-62.7117.7-179.21.66.8000108.1S407P405-S407 PolarHBondContact O-N 3.16Å
406K23.1Very low25.6Very low174 Ų174122.6 Ų122.676%0.75770%0.699SS**  trans-63.687.7167-71-179.1176.2-176.20107.7L404 N408L404-K406 PolarHBondContact O-N 3.39Å; K406-N408 VanDerWaalsContact C-N 3.27Å; K406-N408 PolarHBondContact O-N 3.38Å
407S24.2Very low26.4Very low108 Ų108122 Ų12276%0.75569%0.692SS**  trans-66.196.1160.955.30000106.5P405 S409P405-S407 PolarHBondContact O-N 3.16Å; S407-S409 VanDerWaalsContact C-N 3.32Å; S407-S409 PolarHBondContact O-N 3.41Å
408N24.6Very low27.5Very low88 Ų88117.5 Ų117.547%0.47166%0.66SS.*  trans-53.399.1166.7-77.6-8.9000107.6K406 Y410K406-N408 VanDerWaalsContact C-N 3.27Å; K406-N408 PolarHBondContact O-N 3.38Å; N408-Y410 HydrophobicContact CB-CD2 4.05Å; N408-Y410 HydrophobicContact CB-CE2 3.54Å; N408-Y410 WeakPolarHBondContact O-CD2 3.33Å; N408-Y410 PolarHBondContact O-N 3.22Å
409S27.6Very low28.9Very low103 Ų103117.1 Ų117.172%0.7265%0.652SS**  trans-7582.6176.653.30000108.5S407 M411S407-S409 VanDerWaalsContact C-N 3.32Å; S407-S409 PolarHBondContact O-N 3.41Å; S409-M411 PolarHBondContact O-N 2.98Å
410Y31.2Very low30.5Very low153 Ų153120.4 Ų120.460%0.665%0.652SS**  trans-65.4106.5164.3-61.2-81.6000107.9N408 I451N408-Y410 HydrophobicContact CB-CD2 4.05Å; N408-Y410 HydrophobicContact CB-CE2 3.54Å; N408-Y410 WeakPolarHBondContact O-CD2 3.33Å; N408-Y410 PolarHBondContact O-N 3.22Å; Y410-I451 HydrophobicContact CE1-CD1 4.1Å
411M30Very low32.7Very low106 Ų106122.7 Ų122.752%0.52266%0.657SS.*  trans-113.181.4176.9-89.2-158.3161.600110.8S409 L413S409-M411 PolarHBondContact O-N 2.98Å; M411-L413 HydrophobicContact CB-CD1 4.43Å; M411-L413 HydrophobicContact CB-CG 3.99Å; M411-L413 HydrophobicContact CE-CD2 3.75Å; M411-L413 HydrophobicContact CG-CD2 4.25Å; M411-L413 HydrophobicContact CG-CG 4.11Å; M411-L413 PolarHBondContact O-N 3.16Å; M411-L413 HydrophobicContact SD-CD1 3.82Å; M411-L413 HydrophobicContact SD-CD2 3.53Å; M411-L413 VanDerWaalsContact SD-CD2 3.53Å; M411-L413 HydrophobicContact SD-CG 3.69Å
412R31.3Very low35.3Very low151 Ų151119.9 Ų119.957%0.5764%0.635SS**  trans-71.988.3141-96.8-169.4-179.5-179.14.7105.8N414R412-N414 PolarHBondContact O-N 3.1Å
413L32.4Very low38.3Very low34 Ų34117.9 Ų117.918%0.17862%0.624CS.*  trans-71.575.4173.5-77163.1000109.1M411 N415 T416 P418M411-L413 HydrophobicContact CB-CD1 4.43Å; M411-L413 HydrophobicContact CB-CG 3.99Å; M411-L413 HydrophobicContact CE-CD2 3.75Å; M411-L413 HydrophobicContact CG-CD2 4.25Å; M411-L413 HydrophobicContact CG-CG 4.11Å; M411-L413 PolarHBondContact O-N 3.16Å; M411-L413 HydrophobicContact SD-CD1 3.82Å; M411-L413 HydrophobicContact SD-CD2 3.53Å; M411-L413 VanDerWaalsContact SD-CD2 3.53Å; M411-L413 HydrophobicContact SD-CG 3.69Å; L413-N415 PolarHBondContact O-N 3.28Å; L413-N415 VanDerWaalsContact O-N 3.11Å; L413-T416 WeakPolarHBondContact CD2-OG1 3.31Å; L413-P418 HydrophobicContact CD1-CB 3.87Å; L413-P418 HydrophobicContact CD1-CG 4.23Å
414N29.2Very low41.7Very low133 Ų133113 Ų11371%0.71159%0.591SS**SBendtrans-69.3104157.7-75.9-7000106.3R412 T416R412-N414 PolarHBondContact O-N 3.1Å; N414-T416 PolarHBondContact O-N 3.37Å
415N33.1Very low45.1Very low168 Ų168106.8 Ų106.890%0.89856%0.558SS**SBendtrans69.324.4167-62.2-11.5000119.3L413L413-N415 PolarHBondContact O-N 3.28Å; L413-N415 VanDerWaalsContact O-N 3.11Å
416T31.2Very low48.6Very low89 Ų89101.2 Ų101.255%0.54652%0.522SS..  trans-115.6126.2165.917.20000110.1L413 N414 P418L413-T416 WeakPolarHBondContact CD2-OG1 3.31Å; N414-T416 PolarHBondContact O-N 3.37Å; T416-P418 WeakPolarHBondContact O-CD 3.37Å
417Q38.4Very low52.1Low166 Ų16693 Ų9378%0.77649%0.486SS*.PPolyproline II helixtrans-62.4119.2174.9-76.1-160.3-17.400108.4S419Q417-S419 PolarHBondContact O-N 2.98Å
418P44.3Very low55.5Low22 Ų2287.8 Ų87.814%0.14345%0.45CS..PPolyproline II helixtrans-60.2137.5169.823.9-27.4000108.1L413 T416 K420 Q485 I489L413-P418 HydrophobicContact CD1-CB 3.87Å; L413-P418 HydrophobicContact CD1-CG 4.23Å; T416-P418 WeakPolarHBondContact O-CD 3.37Å; P418-K420 PolarHBondContact O-N 2.91Å; P418-Q485 HydrophobicContact CG-CG 4.39Å; P418-I489 HydrophobicContact CG-CD1 4.04Å
419S51.3Low58.9Low86 Ų8683.6 Ų83.660%0.60143%0.428SS*.PPolyproline II helixtrans-53.5137.7169.870.40000108.7Q417 N421 V422Q417-S419 PolarHBondContact O-N 2.98Å; S419-N421 PolarHBondContact O-N 3.19Å; S419-V422 PolarHBondContact O-N 2.93Å; S419-V422 VanDerWaalsContact OG-CG2 3.28Å; S419-V422 WeakPolarHBondContact OG-CG2 3.5Å
420K55.5Low61.9Low190 Ų19079 Ų7983%0.82640%0.397SS*.THydrogen-bonded Turntrans-55.6-8.5-170.3-75-177.4176.2179.70115.6P418 N492P418-K420 PolarHBondContact O-N 2.91Å; K420-N492 PolarHBondContact O-ND2 2.74Å
421N66.5Low64.6Low141 Ų14172.1 Ų72.175%0.75437%0.37SS*.THydrogen-bonded Turntrans-117.713.8-173.3-65.1-5.3000114.3S419 I423S419-N421 PolarHBondContact O-N 3.19Å; N421-I423 PolarHBondContact O-N 3.34Å
422V76.9Confident66.8Low52 Ų5267.3 Ų67.332%0.31535%0.347SS..  trans-71.6119.5173.8-173.30000109.3S419 F424S419-V422 PolarHBondContact O-N 2.93Å; S419-V422 VanDerWaalsContact OG-CG2 3.28Å; S419-V422 WeakPolarHBondContact OG-CG2 3.5Å; V422-F424 HydrophobicContact CB-CE2 4.01Å; V422-F424 HydrophobicContact CB-CZ 4.24Å; V422-F424 HydrophobicContact CG1-CD1 4.41Å; V422-F424 HydrophobicContact CG1-CD2 4.14Å; V422-F424 HydrophobicContact CG1-CE1 3.95Å; V422-F424 HydrophobicContact CG1-CE2 3.65Å; V422-F424 HydrophobicContact CG1-CG 4.5Å; V422-F424 HydrophobicContact CG1-CZ 3.55Å
423I86.4Confident68.8Low118 Ų11862.7 Ų62.761%0.60534%0.337SS*.  trans-91.7127.1171.8-62173.8000107.1N421 N492N421-I423 PolarHBondContact O-N 3.34Å; I423-N492 WeakPolarHBondContact CG2-O 3.41Å
424F92.8Very high70.7Confident16 Ų1663.3 Ų63.37%0.0735%0.352CS..EExtended strand (participates in β ladder)trans-109.5149.8172-61-88000109.6V422 S456 Y457 Y458 I489 N492 C493 R494V422-F424 HydrophobicContact CB-CE2 4.01Å; V422-F424 HydrophobicContact CB-CZ 4.24Å; V422-F424 HydrophobicContact CG1-CD1 4.41Å; V422-F424 HydrophobicContact CG1-CD2 4.14Å; V422-F424 HydrophobicContact CG1-CE1 3.95Å; V422-F424 HydrophobicContact CG1-CE2 3.65Å; V422-F424 HydrophobicContact CG1-CG 4.5Å; V422-F424 HydrophobicContact CG1-CZ 3.55Å; F424-S456 WeakPolarHBondContact CA-OG 3.44Å; F424-Y457 VanDerWaalsContact CD1-O 3.3Å; F424-Y457 WeakPolarHBondContact CD1-O 3.34Å; F424-Y458 HydrophobicContact CE2-CD2 4Å; F424-Y458 HydrophobicContact CE2-CG 4.41Å; F424-Y458 HydrophobicContact CZ-CD2 4.07Å; F424-I489 HydrophobicContact CD2-CG2 4.12Å; F424-I489 HydrophobicContact CE2-CG2 4.36Å; F424-N492 PolarHBondContact N-O 2.93Å; F424-C493 VanDerWaalsContact O-CA 3.29Å; F424-C493 WeakPolarHBondContact O-CA 3.41Å; F424-R494 PolarHBondContact O-N 3.27Å; F424-R494 VanDerWaalsContact O-N 3.17Å
425D94.7Very high73.1Confident28 Ų2857.8 Ų57.815%0.1532%0.322CS..EExtended strand (participates in β ladder)trans-71.1-47.4175.6-60.7-72.1000110.3L455 S456 R494 I495 L692D425-L455 HydrophobicContact CB-CB 4.25Å; D425-L455 HydrophobicContact CB-CD2 4.13Å; D425-S456 VanDerWaalsContact CB-O 3.31Å; D425-S456 WeakPolarHBondContact CB-O 3.49Å; D425-S456 PolarHBondContact N-O 3.13Å; D425-S456 VanDerWaalsContact N-O 3.16Å; D425-S456 PolarHBondContact N-OG 3.39Å; D425-S456 WeakPolarHBondContact OD2-CB 3.31Å; D425-S456 PolarHBondContact OD2-N 3.44Å; D425-S456 PolarHBondContact OD2-OG 3.44Å; D425-R494 WeakPolarHBondContact O-CB 3.5Å; D425-R494 PolarHBondContact O-N 3.02Å; D425-R494 WeakPolarHBondContact OD1-CD 3.31Å; D425-R494 IonicContact OD1-CZ 2.81Å; D425-R494 IonicContact OD1-NH1 3.85Å; D425-R494 PolarHBondContact OD1-NH1 3.19Å; D425-I495 WeakPolarHBondContact O-CG2 3.4Å; D425-I495 PolarHBondContact O-N 3.35Å; D425-L692 HydrophobicContact CB-CD1 4.01Å
426V95.9Very high75.4Confident0 Ų056.8 Ų56.80%031%0.31CS..EExtended strand (participates in β ladder)trans-124.1121.9-173.9-170.30000112.1I428 L450 S456 Y457 Y458 I495 L497 L692V426-I428 HydrophobicContact CG1-CD1 4.48Å; V426-I428 HydrophobicContact CG1-CG1 3.77Å; V426-L450 HydrophobicContact CG2-CD2 3.96Å; V426-S456 PolarHBondContact N-O 2.95Å; V426-Y457 CarbonylContact O-C 3.58Å; V426-Y457 WeakPolarHBondContact O-CA 3.39Å; V426-Y457 WeakPolarHBondContact O-CB 3.05Å; V426-Y458 PolarHBondContact O-N 2.88Å; V426-I495 WeakPolarHBondContact CA-O 3Å; V426-I495 HydrophobicContact CB-CG2 4.24Å; V426-I495 HydrophobicContact CG1-CG2 4.15Å; V426-I495 HydrophobicContact CG2-CG2 3.86Å; V426-L497 HydrophobicContact CG1-CB 4.21Å; V426-L692 HydrophobicContact CG2-CD1 3.67Å
427Y96.9Very high77.9Confident0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-86129.5161.9-176.7-98.2000109.3A429 Y458 A460 Q486 I489 R490 I495 L496 L497 Y498Y427-A429 HydrophobicContact CD1-CB 4.34Å; Y427-A429 HydrophobicContact CE1-CB 3.69Å; Y427-Y458 AromaticContact CD2-CD1 3.58Å; Y427-Y458 HydrophobicContact CD2-CD1 3.58Å; Y427-Y458 HydrophobicContact CD2-CE1 4.31Å; Y427-Y458 HydrophobicContact CD2-CG 4.46Å; Y427-Y458 AromaticContact CE2-CD1 3.5Å; Y427-Y458 HydrophobicContact CE2-CD1 3.5Å; Y427-Y458 VanDerWaalsContact CE2-CD1 3.5Å; Y427-Y458 AromaticContact CE2-CE1 3.76Å; Y427-Y458 HydrophobicContact CE2-CE1 3.76Å; Y427-A460 HydrophobicContact CE1-CB 4.19Å; Y427-A460 HydrophobicContact CE2-CB 4.25Å; Y427-A460 VanDerWaalsContact OH-CB 3.29Å; Y427-A460 WeakPolarHBondContact OH-CB 3.49Å; Y427-Q486 PolarHBondContact OH-OE1 3.01Å; Y427-I489 HydrophobicContact CD2-CG2 3.99Å; Y427-I489 HydrophobicContact CE2-CG2 4.34Å; Y427-R490 HydrophobicContact CD1-CG 3.84Å; Y427-R490 HydrophobicContact CD2-CG 3.89Å; Y427-R490 HydrophobicContact CE1-CG 3.63Å; Y427-R490 HydrophobicContact CE2-CG 3.72Å; Y427-R490 HydrophobicContact CG-CG 3.96Å; Y427-I495 PolarHBondContact N-O 3.16Å; Y427-L496 HydrophobicContact CD1-CB 4.46Å; Y427-L496 HydrophobicContact CD1-CD2 4.49Å; Y427-L496 HydrophobicContact CD1-CG 4.4Å; Y427-L497 PolarHBondContact O-N 3.15Å; Y427-Y498 HydrophobicContact CE1-CE1 4.42Å
428I96.2Very high79.9Confident0 Ų047.1 Ų47.10%026%0.258CS..EExtended strand (participates in β ladder)trans-119.6117.4-179.3-54.3169.3000108.9V426 I431 L442 I446 L450 Y457 Y458 A460 L497 I499V426-I428 HydrophobicContact CG1-CD1 4.48Å; V426-I428 HydrophobicContact CG1-CG1 3.77Å; I428-I431 HydrophobicContact CG2-CG1 4.08Å; I428-L442 HydrophobicContact CD1-CD1 4.45Å; I428-I446 HydrophobicContact CD1-CG2 3.81Å; I428-L450 HydrophobicContact CD1-CD1 3.72Å; I428-Y457 HydrophobicContact CD1-CD2 3.95Å; I428-Y457 HydrophobicContact CD1-CG 4.19Å; I428-Y458 PolarHBondContact N-O 2.88Å; I428-A460 VanDerWaalsContact O-CB 3.3Å; I428-A460 WeakPolarHBondContact O-CB 3.33Å; I428-A460 PolarHBondContact O-N 2.76Å; I428-L497 WeakPolarHBondContact CA-O 3.36Å; I428-I499 HydrophobicContact CG2-CD1 3.75Å
429A94.8Very high81.9Confident0 Ų048.2 Ų48.20%026%0.261CS..EExtended strand (participates in β ladder)trans-120.8156.4173.400000111.7Y427 A460 L497 Y498 I499 T509Y427-A429 HydrophobicContact CD1-CB 4.34Å; Y427-A429 HydrophobicContact CE1-CB 3.69Å; A429-A460 HydrophobicContact CB-CB 3.84Å; A429-L497 PolarHBondContact N-O 3.14Å; A429-Y498 HydrophobicContact CB-CD1 3.59Å; A429-Y498 HydrophobicContact CB-CE1 3.6Å; A429-I499 WeakPolarHBondContact O-CB 3.31Å; A429-I499 PolarHBondContact O-N 3.44Å; A429-T509 HydrophobicContact CB-CG2 4.41Å
430G91.2Very high83.6Confident6 Ų646.7 Ų46.76%0.06225%0.25CC..  trans993-177.100000115.6L432 I499 H506G430-L432 PolarHBondContact O-N 3.42Å; G430-I499 WeakPolarHBondContact CA-O 3.4Å; G430-H506 PolarHBondContact O-CE1 2.68Å
431I86.9Confident85.1Confident8 Ų838.4 Ų38.44%0.04121%0.214CC..  trans-82.297.5169.8-51.4-56.3000108.9I428 L442 I446 I499I428-I431 HydrophobicContact CG2-CG1 4.08Å; I431-L442 HydrophobicContact CD1-CB 4Å; I431-L442 HydrophobicContact CG1-CB 4.32Å; I431-L442 HydrophobicContact CG1-CD1 4.33Å; I431-L442 HydrophobicContact CG1-CD2 4.18Å; I431-L442 HydrophobicContact CG2-CB 4.32Å; I431-L442 HydrophobicContact CG2-CD2 3.91Å; I431-I446 HydrophobicContact CD1-CD1 4.29Å; I431-I499 HydrophobicContact CD1-CD1 3.58Å; I431-I499 HydrophobicContact CG1-CD1 4.4Å
432L77.9Confident86.2Confident6 Ų631.7 Ų31.73%0.03118%0.179CC..  trans-79.2129.6-175-48.5-178.1000111.8G430 G434 N435 Q462 S504G430-L432 PolarHBondContact O-N 3.42Å; L432-G434 PolarHBondContact O-N 2.96Å; L432-N435 HydrophobicContact CB-CB 3.87Å; L432-N435 PolarHBondContact O-N 3.3Å; L432-Q462 VanDerWaalsContact CD2-CD 3.43Å; L432-Q462 VanDerWaalsContact CD2-OE1 3.32Å; L432-S504 WeakPolarHBondContact CD1-OG 3.49Å
433S73Confident86.8Confident54 Ų5432.3 Ų32.338%0.37818%0.18SC..THydrogen-bonded Turntrans-64.8129.1176.657.90000111N435 Y642S433-N435 VanDerWaalsContact C-N 3.29Å; S433-Y642 WeakPolarHBondContact O-CE2 3.29Å
434G71.4Confident87Confident46 Ų4632 Ų3247%0.47418%0.18SC..THydrogen-bonded Turntrans89.8-18.3-177.300000114L432 K436 Y642L432-G434 PolarHBondContact O-N 2.96Å; G434-K436 PolarHBondContact O-N 3.24Å; G434-Y642 WeakPolarHBondContact O-CB 3.1Å
435N80.7Confident86.9Confident18 Ų1834.3 Ų34.310%0.09619%0.192CC..  trans-78.5103.9173.8-171.5-41.6000110.6L432 S433 F437 S438 Q439 S503 Y642L432-N435 HydrophobicContact CB-CB 3.87Å; L432-N435 PolarHBondContact O-N 3.3Å; S433-N435 VanDerWaalsContact C-N 3.29Å; N435-F437 PolarHBondContact O-N 3.28Å; N435-F437 WeakPolarHBondContact OD1-CA 3.4Å; N435-F437 WeakPolarHBondContact OD1-CB 3.46Å; N435-F437 PolarHBondContact OD1-N 3.04Å; N435-S438 PolarHBondContact O-N 3.28Å; N435-S438 PolarHBondContact OD1-N 3.01Å; N435-Q439 WeakPolarHBondContact O-CB 3.32Å; N435-Q439 PolarHBondContact O-N 3.02Å; N435-S503 PolarHBondContact ND2-OG 2.83Å; N435-Y642 HydrophobicContact CB-CD1 4.44Å
436K81.3Confident86.8Confident147 Ų14733 Ų3364%0.63919%0.185SC*.Hα-helixtrans-57.3-35.4179.1-73.6173.6170.8160.50112.9G434 C440 D643G434-K436 PolarHBondContact O-N 3.24Å; K436-C440 WeakPolarHBondContact O-CB 3.48Å; K436-C440 PolarHBondContact O-N 3.43Å; K436-D643 WeakPolarHBondContact CE-OD1 3.38Å; K436-D643 IonicContact NZ-OD1 2.9Å; K436-D643 PolarHBondContact NZ-OD1 2.92Å
437F82.2Confident86.7Confident51 Ų5134 Ų3422%0.22419%0.19CC..Hα-helixtrans-70-54.5-178.9177.8-99.1000111.4N435 Q439 C440 L441 D501 L553N435-F437 PolarHBondContact O-N 3.28Å; N435-F437 WeakPolarHBondContact OD1-CA 3.4Å; N435-F437 WeakPolarHBondContact OD1-CB 3.46Å; N435-F437 PolarHBondContact OD1-N 3.04Å; F437-Q439 VanDerWaalsContact C-N 3.27Å; F437-Q439 PolarHBondContact O-N 3.2Å; F437-C440 WeakPolarHBondContact O-CB 3.45Å; F437-C440 PolarHBondContact O-N 3.19Å; F437-C440 VanDerWaalsContact O-N 3.11Å; F437-L441 HydrophobicContact CD1-CD1 4.06Å; F437-L441 HydrophobicContact CD1-CG 4.46Å; F437-L441 HydrophobicContact CE1-CD1 3.48Å; F437-L441 VanDerWaalsContact CE1-CD1 3.48Å; F437-L441 HydrophobicContact CE1-CG 4.08Å; F437-L441 HydrophobicContact CZ-CD1 3.9Å; F437-L441 HydrophobicContact CZ-CD2 4.24Å; F437-L441 HydrophobicContact CZ-CG 4.16Å; F437-L441 PolarHBondContact O-N 3.39Å; F437-D501 HydrophobicContact CE1-CB 4.05Å; F437-L553 HydrophobicContact CD2-CD1 4.33Å; F437-L553 HydrophobicContact CD2-CD2 3.96Å; F437-L553 HydrophobicContact CD2-CG 4.43Å; F437-L553 HydrophobicContact CE2-CD1 4.1Å; F437-L553 HydrophobicContact CE2-CD2 3.98Å; F437-L553 HydrophobicContact CE2-CG 4.05Å; F437-L553 HydrophobicContact CZ-CD1 4.32Å
438S82.2Confident86.5Confident0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-63-35.2179.9-45.10000111.6N435 L441 L442 D501N435-S438 PolarHBondContact O-N 3.28Å; N435-S438 PolarHBondContact OD1-N 3.01Å; S438-L441 PolarHBondContact O-N 3.42Å; S438-L442 PolarHBondContact O-N 3.14Å; S438-L442 VanDerWaalsContact O-N 3.14Å; S438-D501 PolarHBondContact OG-OD2 2.93Å
439Q85Confident86.3Confident45 Ų4539 Ų3921%0.2122%0.219CC..Hα-helixtrans-67.8-39.3174.3-1715946.500112.4N435 F437 L442 D443N435-Q439 WeakPolarHBondContact O-CB 3.32Å; N435-Q439 PolarHBondContact O-N 3.02Å; F437-Q439 VanDerWaalsContact C-N 3.27Å; F437-Q439 PolarHBondContact O-N 3.2Å; Q439-L442 WeakPolarHBondContact O-CB 3.25Å; Q439-L442 PolarHBondContact O-N 2.88Å; Q439-D443 PolarHBondContact NE2-OD1 2.95Å; Q439-D443 PolarHBondContact NE2-OD2 3.15Å; Q439-D443 PolarHBondContact O-N 2.9Å
440C87.3Confident86.2Confident54 Ų5439 Ų3937%0.36522%0.219SC..Hα-helixtrans-62.6-42.9174.3-179.80000111.8K436 F437 L442 D443 N444K436-C440 WeakPolarHBondContact O-CB 3.48Å; K436-C440 PolarHBondContact O-N 3.43Å; F437-C440 WeakPolarHBondContact O-CB 3.45Å; F437-C440 PolarHBondContact O-N 3.19Å; F437-C440 VanDerWaalsContact O-N 3.11Å; C440-L442 VanDerWaalsContact C-N 3.28Å; C440-L442 PolarHBondContact O-N 3.39Å; C440-D443 PolarHBondContact O-N 3.39Å; C440-N444 VanDerWaalsContact O-CB 3.32Å; C440-N444 WeakPolarHBondContact O-CB 3.15Å; C440-N444 PolarHBondContact O-N 3.36Å; C440-N444 PolarHBondContact SG-ND2 3.34Å
441L87.2Confident86.3Confident17 Ų1742.5 Ų42.59%0.08924%0.235CC..Hα-helixtrans-57.5-42.5173.7-70.9-179.8000111.6F437 S438 I445 I446 F526 I681F437-L441 HydrophobicContact CD1-CD1 4.06Å; F437-L441 HydrophobicContact CD1-CG 4.46Å; F437-L441 HydrophobicContact CE1-CD1 3.48Å; F437-L441 VanDerWaalsContact CE1-CD1 3.48Å; F437-L441 HydrophobicContact CE1-CG 4.08Å; F437-L441 HydrophobicContact CZ-CD1 3.9Å; F437-L441 HydrophobicContact CZ-CD2 4.24Å; F437-L441 HydrophobicContact CZ-CG 4.16Å; F437-L441 PolarHBondContact O-N 3.39Å; S438-L441 PolarHBondContact O-N 3.42Å; L441-I445 HydrophobicContact CD2-CD1 3.81Å; L441-I445 WeakPolarHBondContact O-CB 3.42Å; L441-I445 PolarHBondContact O-N 2.92Å; L441-I446 PolarHBondContact O-N 3.27Å; L441-F526 HydrophobicContact CD1-CE1 4.48Å; L441-I681 HydrophobicContact CD2-CG2 4.35Å
442L88.6Confident86.5Confident0 Ų046.6 Ų46.60%026%0.264CS..Iπ-helixtrans-62-58176.9-178.165000111.4I428 I431 S438 Q439 C440 N444 I446 L447 Q459I428-L442 HydrophobicContact CD1-CD1 4.45Å; I431-L442 HydrophobicContact CD1-CB 4Å; I431-L442 HydrophobicContact CG1-CB 4.32Å; I431-L442 HydrophobicContact CG1-CD1 4.33Å; I431-L442 HydrophobicContact CG1-CD2 4.18Å; I431-L442 HydrophobicContact CG2-CB 4.32Å; I431-L442 HydrophobicContact CG2-CD2 3.91Å; S438-L442 PolarHBondContact O-N 3.14Å; S438-L442 VanDerWaalsContact O-N 3.14Å; Q439-L442 WeakPolarHBondContact O-CB 3.25Å; Q439-L442 PolarHBondContact O-N 2.88Å; C440-L442 VanDerWaalsContact C-N 3.28Å; C440-L442 PolarHBondContact O-N 3.39Å; L442-N444 PolarHBondContact O-N 3.46Å; L442-I446 HydrophobicContact CD1-CB 4.07Å; L442-I446 HydrophobicContact CD1-CD1 4.31Å; L442-I446 HydrophobicContact CD1-CG2 4.02Å; L442-I446 PolarHBondContact O-N 3.39Å; L442-L447 HydrophobicContact CD1-CD1 4.39Å; L442-L447 HydrophobicContact CD1-CD2 3.69Å; L442-L447 HydrophobicContact CD1-CG 3.76Å; L442-L447 HydrophobicContact CG-CD1 4.06Å; L442-L447 HydrophobicContact CG-CD2 4.28Å; L442-L447 HydrophobicContact CG-CG 3.88Å; L442-L447 WeakPolarHBondContact O-CG 3.37Å; L442-L447 PolarHBondContact O-N 2.86Å; L442-Q459 HydrophobicContact CD2-CG 4.44Å; L442-Q459 VanDerWaalsContact CD2-OE1 3.26Å
443D89.8Confident87.2Confident65 Ų6548.5 Ų48.535%0.34828%0.278SS..Iπ-helixtrans-71.5-34-168.6-65.4-25.5000112.8Q439 C440 P448Q439-D443 PolarHBondContact NE2-OD1 2.95Å; Q439-D443 PolarHBondContact NE2-OD2 3.15Å; Q439-D443 PolarHBondContact O-N 2.9Å; C440-D443 PolarHBondContact O-N 3.39Å; D443-P448 WeakPolarHBondContact O-CD 3.08Å; D443-P448 WeakPolarHBondContact O-CG 3.41Å
444N91.1Very high88.1Confident112 Ų11251.3 Ų51.360%0.59929%0.289SS*.Iπ-helixtrans-99.8-20.4-172.7-63.8-30.5000114.5C440 L442C440-N444 VanDerWaalsContact O-CB 3.32Å; C440-N444 WeakPolarHBondContact O-CB 3.15Å; C440-N444 PolarHBondContact O-N 3.36Å; C440-N444 PolarHBondContact SG-ND2 3.34Å; L442-N444 PolarHBondContact O-N 3.46Å
445I91.2Very high89.2Confident64 Ų6450.1 Ų50.133%0.32827%0.272SS..Iπ-helixtrans-122.5-56.7-175.4-60.5166.5000111.1L441 K449 I681 L685L441-I445 HydrophobicContact CD2-CD1 3.81Å; L441-I445 WeakPolarHBondContact O-CB 3.42Å; L441-I445 PolarHBondContact O-N 2.92Å; I445-K449 WeakPolarHBondContact O-CB 3.48Å; I445-K449 PolarHBondContact O-N 2.94Å; I445-I681 HydrophobicContact CD1-CG2 4.21Å; I445-I681 HydrophobicContact CG2-CG2 4.07Å; I445-L685 HydrophobicContact CG2-CD1 3.99Å
446I92.8Very high89.8Confident0 Ų051.6 Ų51.60%028%0.283CS..Iπ-helixtrans-69-55.8-171.8-61.1164.8000111.3I428 I431 L441 L442 K449 L450 I499 I681 L685I428-I446 HydrophobicContact CD1-CG2 3.81Å; I431-I446 HydrophobicContact CD1-CD1 4.29Å; L441-I446 PolarHBondContact O-N 3.27Å; L442-I446 HydrophobicContact CD1-CB 4.07Å; L442-I446 HydrophobicContact CD1-CD1 4.31Å; L442-I446 HydrophobicContact CD1-CG2 4.02Å; L442-I446 PolarHBondContact O-N 3.39Å; I446-K449 PolarHBondContact O-N 2.99Å; I446-L450 HydrophobicContact CG2-CD1 3.76Å; I446-L450 HydrophobicContact CG2-CG 4.34Å; I446-L450 WeakPolarHBondContact O-CG 3.4Å; I446-L450 PolarHBondContact O-N 2.84Å; I446-I499 HydrophobicContact CD1-CD1 3.45Å; I446-I499 VanDerWaalsContact CD1-CD1 3.45Å; I446-I681 HydrophobicContact CD1-CD1 3.95Å; I446-I681 HydrophobicContact CD1-CG1 4.18Å; I446-I681 HydrophobicContact CG1-CD1 4.08Å; I446-I681 HydrophobicContact CG1-CG1 3.94Å; I446-L685 HydrophobicContact CB-CD1 4.26Å; I446-L685 HydrophobicContact CB-CD2 4.33Å; I446-L685 HydrophobicContact CG1-CD1 3.88Å; I446-L685 HydrophobicContact CG1-CD2 4.17Å; I446-L685 HydrophobicContact CG1-CG 4.43Å; I446-L685 HydrophobicContact CG2-CD2 3.84Å
447L92.6Very high90.4Very high21 Ų2146.4 Ų46.411%0.1126%0.26CS..Hα-helixtrans-62.2-46.7-176.2-62.7-174.4000112.7L442 K449 L450 I451 Y457L442-L447 HydrophobicContact CD1-CD1 4.39Å; L442-L447 HydrophobicContact CD1-CD2 3.69Å; L442-L447 HydrophobicContact CD1-CG 3.76Å; L442-L447 HydrophobicContact CG-CD1 4.06Å; L442-L447 HydrophobicContact CG-CD2 4.28Å; L442-L447 HydrophobicContact CG-CG 3.88Å; L442-L447 WeakPolarHBondContact O-CG 3.37Å; L442-L447 PolarHBondContact O-N 2.86Å; L447-K449 PolarHBondContact O-N 3.1Å; L447-L450 PolarHBondContact O-N 3.26Å; L447-I451 HydrophobicContact CB-CD1 4.39Å; L447-I451 WeakPolarHBondContact O-CB 3.25Å; L447-I451 WeakPolarHBondContact O-CD1 3.33Å; L447-I451 WeakPolarHBondContact O-CG1 3.42Å; L447-I451 PolarHBondContact O-N 3.42Å; L447-Y457 HydrophobicContact CD2-CD1 4.19Å; L447-Y457 HydrophobicContact CD2-CD2 4.1Å; L447-Y457 HydrophobicContact CD2-CE1 3.61Å; L447-Y457 HydrophobicContact CD2-CE2 3.51Å; L447-Y457 HydrophobicContact CD2-CG 4.42Å; L447-Y457 WeakPolarHBondContact CD2-OH 3.42Å
448P92.9Very high90.9Very high64 Ų6444.7 Ų44.742%0.41625%0.252SS..Hα-helixtrans-56.7-38.8177.5-28.238.2000113D443 S452D443-P448 WeakPolarHBondContact O-CD 3.08Å; D443-P448 WeakPolarHBondContact O-CG 3.41Å; P448-S452 WeakPolarHBondContact O-CB 3.37Å; P448-S452 PolarHBondContact O-N 2.98Å; P448-S452 PolarHBondContact O-OG 3.37Å
449K92.9Very high91.4Very high42 Ų4246.6 Ų46.618%0.18326%0.261CS..Hα-helixtrans-75.7-34.4-177.9-157.8161.9-171.8169.60113.4I445 I446 L447 S452 S453 E682 L685 N686 I689I445-K449 WeakPolarHBondContact O-CB 3.48Å; I445-K449 PolarHBondContact O-N 2.94Å; I446-K449 PolarHBondContact O-N 2.99Å; L447-K449 PolarHBondContact O-N 3.1Å; K449-S452 WeakPolarHBondContact CA-OG 3.46Å; K449-S452 PolarHBondContact O-OG 3.32Å; K449-S453 WeakPolarHBondContact O-CB 3.23Å; K449-S453 PolarHBondContact O-N 3.28Å; K449-S453 PolarHBondContact O-OG 3.5Å; K449-E682 IonicContact NZ-OE1 3.11Å; K449-E682 PolarHBondContact NZ-OE1 2.82Å; K449-L685 HydrophobicContact CD-CB 4.41Å; K449-L685 HydrophobicContact CD-CD1 4.35Å; K449-N686 WeakPolarHBondContact CE-OD1 3.38Å; K449-N686 PolarHBondContact NZ-OD1 3.06Å; K449-I689 HydrophobicContact CD-CD1 4.38Å; K449-I689 HydrophobicContact CG-CD1 3.86Å
450L92.8Very high91.7Very high0 Ų045 Ų450%026%0.255CS..Hα-helixtrans-70.3-41.3172.6-66.5177.7000111.6V426 I428 I446 L447 S453 N454 L455 Y457V426-L450 HydrophobicContact CG2-CD2 3.96Å; I428-L450 HydrophobicContact CD1-CD1 3.72Å; I446-L450 HydrophobicContact CG2-CD1 3.76Å; I446-L450 HydrophobicContact CG2-CG 4.34Å; I446-L450 WeakPolarHBondContact O-CG 3.4Å; I446-L450 PolarHBondContact O-N 2.84Å; L447-L450 PolarHBondContact O-N 3.26Å; L450-S453 CarbonylContact O-C 3.03Å; L450-S453 PolarHBondContact O-N 2.97Å; L450-N454 PolarHBondContact O-N 2.85Å; L450-N454 VanDerWaalsContact O-N 3.07Å; L450-L455 HydrophobicContact CD2-CB 4.27Å; L450-L455 HydrophobicContact CD2-CD1 4.11Å; L450-L455 PolarHBondContact O-N 3.25Å; L450-Y457 HydrophobicContact CD1-CD1 4.36Å; L450-Y457 HydrophobicContact CD1-CG 4.22Å
451I91.8Very high91.5Very high79 Ų7945.9 Ų45.941%0.40526%0.259SS..Hα-helixtrans-64.6-45.7177.1-68163.3000110.6Y410 L447 S453 N454Y410-I451 HydrophobicContact CE1-CD1 4.1Å; L447-I451 HydrophobicContact CB-CD1 4.39Å; L447-I451 WeakPolarHBondContact O-CB 3.25Å; L447-I451 WeakPolarHBondContact O-CD1 3.33Å; L447-I451 WeakPolarHBondContact O-CG1 3.42Å; L447-I451 PolarHBondContact O-N 3.42Å; I451-S453 PolarHBondContact O-N 3.46Å; I451-N454 PolarHBondContact O-N 3.21Å
452S92.8Very high90.8Very high94 Ų9447.6 Ų47.666%0.65727%0.266SS*.Hα-helixtrans-63.5-29.5177.867.10000112.7P448 K449 N454P448-S452 WeakPolarHBondContact O-CB 3.37Å; P448-S452 PolarHBondContact O-N 2.98Å; P448-S452 PolarHBondContact O-OG 3.37Å; K449-S452 WeakPolarHBondContact CA-OG 3.46Å; K449-S452 PolarHBondContact O-OG 3.32Å; S452-N454 VanDerWaalsContact C-N 3.33Å
453S92.1Very high89.5Confident46 Ų4649.3 Ų49.332%0.32228%0.276SS..THydrogen-bonded Turntrans-86.80.5175-52.70000113.6K449 L450 I451 L455K449-S453 WeakPolarHBondContact O-CB 3.23Å; K449-S453 PolarHBondContact O-N 3.28Å; K449-S453 PolarHBondContact O-OG 3.5Å; L450-S453 CarbonylContact O-C 3.03Å; L450-S453 PolarHBondContact O-N 2.97Å; I451-S453 PolarHBondContact O-N 3.46Å; S453-L455 VanDerWaalsContact C-N 3.28Å; S453-L455 PolarHBondContact O-N 2.92Å
454N92.2Very high87.6Confident112 Ų11250.9 Ų50.960%0.59928%0.284SS*.THydrogen-bonded Turntrans5439.9-176.9-169.368.4000113.5L450 I451 S452L450-N454 PolarHBondContact O-N 2.85Å; L450-N454 VanDerWaalsContact O-N 3.07Å; I451-N454 PolarHBondContact O-N 3.21Å; S452-N454 VanDerWaalsContact C-N 3.33Å
455L93.5Very high85.4Confident22 Ų2248.6 Ų48.612%0.11527%0.269CS..  trans-101.2133.5178.4-64.3175.9000111D425 L450 S453 I689 L692D425-L455 HydrophobicContact CB-CB 4.25Å; D425-L455 HydrophobicContact CB-CD2 4.13Å; L450-L455 HydrophobicContact CD2-CB 4.27Å; L450-L455 HydrophobicContact CD2-CD1 4.11Å; L450-L455 PolarHBondContact O-N 3.25Å; S453-L455 VanDerWaalsContact C-N 3.28Å; S453-L455 PolarHBondContact O-N 2.92Å; L455-I689 HydrophobicContact CD1-CB 4.48Å; L455-I689 HydrophobicContact CD1-CG1 3.81Å; L455-L692 HydrophobicContact CD1-CD1 3.83Å; L455-L692 HydrophobicContact CD2-CB 4.49Å; L455-L692 HydrophobicContact CD2-CD1 4.22Å
456S93.6Very high83.2Confident49 Ų4950.1 Ų50.134%0.34327%0.274SS..  trans-78148.1173.663.90000111F424 D425 V426F424-S456 WeakPolarHBondContact CA-OG 3.44Å; D425-S456 VanDerWaalsContact CB-O 3.31Å; D425-S456 WeakPolarHBondContact CB-O 3.49Å; D425-S456 PolarHBondContact N-O 3.13Å; D425-S456 VanDerWaalsContact N-O 3.16Å; D425-S456 PolarHBondContact N-OG 3.39Å; D425-S456 WeakPolarHBondContact OD2-CB 3.31Å; D425-S456 PolarHBondContact OD2-N 3.44Å; D425-S456 PolarHBondContact OD2-OG 3.44Å; V426-S456 PolarHBondContact N-O 2.95Å
457Y93.5Very high80.3Confident37 Ų3751.5 Ų51.515%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-140.7155.3179.970.9-84.2000112.4F424 V426 I428 L447 L450F424-Y457 VanDerWaalsContact CD1-O 3.3Å; F424-Y457 WeakPolarHBondContact CD1-O 3.34Å; V426-Y457 CarbonylContact O-C 3.58Å; V426-Y457 WeakPolarHBondContact O-CA 3.39Å; V426-Y457 WeakPolarHBondContact O-CB 3.05Å; I428-Y457 HydrophobicContact CD1-CD2 3.95Å; I428-Y457 HydrophobicContact CD1-CG 4.19Å; L447-Y457 HydrophobicContact CD2-CD1 4.19Å; L447-Y457 HydrophobicContact CD2-CD2 4.1Å; L447-Y457 HydrophobicContact CD2-CE1 3.61Å; L447-Y457 HydrophobicContact CD2-CE2 3.51Å; L447-Y457 HydrophobicContact CD2-CG 4.42Å; L447-Y457 WeakPolarHBondContact CD2-OH 3.42Å; L450-Y457 HydrophobicContact CD1-CD1 4.36Å; L450-Y457 HydrophobicContact CD1-CG 4.22Å
458Y93.3Very high77.5Confident15 Ų1554.3 Ų54.36%0.05931%0.31CS..EExtended strand (participates in β ladder)trans-120.2122.6166.6-179.3-91.7000109.2F424 V426 Y427 I428 Q486 I489F424-Y458 HydrophobicContact CE2-CD2 4Å; F424-Y458 HydrophobicContact CE2-CG 4.41Å; F424-Y458 HydrophobicContact CZ-CD2 4.07Å; V426-Y458 PolarHBondContact O-N 2.88Å; Y427-Y458 AromaticContact CD2-CD1 3.58Å; Y427-Y458 HydrophobicContact CD2-CD1 3.58Å; Y427-Y458 HydrophobicContact CD2-CE1 4.31Å; Y427-Y458 HydrophobicContact CD2-CG 4.46Å; Y427-Y458 AromaticContact CE2-CD1 3.5Å; Y427-Y458 HydrophobicContact CE2-CD1 3.5Å; Y427-Y458 VanDerWaalsContact CE2-CD1 3.5Å; Y427-Y458 AromaticContact CE2-CE1 3.76Å; Y427-Y458 HydrophobicContact CE2-CE1 3.76Å; I428-Y458 PolarHBondContact N-O 2.88Å; Y458-Q486 HydrophobicContact CE1-CG 4.2Å; Y458-I489 HydrophobicContact CD1-CD1 4.42Å; Y458-I489 HydrophobicContact CD1-CG2 3.72Å; Y458-I489 HydrophobicContact CD2-CD1 3.94Å; Y458-I489 HydrophobicContact CD2-CG2 4.15Å; Y458-I489 HydrophobicContact CE1-CD1 3.95Å; Y458-I489 HydrophobicContact CE1-CG2 4.19Å; Y458-I489 HydrophobicContact CE2-CD1 3.46Å; Y458-I489 VanDerWaalsContact CE2-CD1 3.46Å; Y458-I489 HydrophobicContact CG-CD1 4.39Å; Y458-I489 HydrophobicContact CG-CG2 3.67Å; Y458-I489 VanDerWaalsContact CZ-CD1 3.45Å
459Q92.2Very high74.9Confident41 Ų4160 Ų6019%0.19233%0.329CS..EExtended strand (participates in β ladder)trans-88120.8172.2-179.2-175.1-10.100109.2L442L442-Q459 HydrophobicContact CD2-CG 4.44Å; L442-Q459 VanDerWaalsContact CD2-OE1 3.26Å
460A90.8Very high72.5Confident10 Ų1065.6 Ų65.68%0.08336%0.361CS..PPolyproline II helixtrans-58.7136.7173.900000111Y427 I428 A429 Q486Y427-A460 HydrophobicContact CE1-CB 4.19Å; Y427-A460 HydrophobicContact CE2-CB 4.25Å; Y427-A460 VanDerWaalsContact OH-CB 3.29Å; Y427-A460 WeakPolarHBondContact OH-CB 3.49Å; I428-A460 VanDerWaalsContact O-CB 3.3Å; I428-A460 WeakPolarHBondContact O-CB 3.33Å; I428-A460 PolarHBondContact O-N 2.76Å; A429-A460 HydrophobicContact CB-CB 3.84Å; A460-Q486 VanDerWaalsContact CB-OE1 3.27Å
461V84.3Confident70Confident74 Ų7470.8 Ų70.845%0.44839%0.389SS..PPolyproline II helixtrans-99.6129.4177.9-178.70000108.1L482 Q486V461-L482 HydrophobicContact CB-CD2 4.21Å; V461-L482 HydrophobicContact CG1-CD2 4.15Å; V461-Q486 VanDerWaalsContact N-OE1 3.12Å; V461-Q486 PolarHBondContact O-NE2 2.89Å
462Q71Confident67.7Low52 Ų5270.5 Ų70.524%0.24339%0.388CS..PPolyproline II helixtrans-79.6137.8173.2-61.2-157.9-56.800110.8L432 N464L432-Q462 VanDerWaalsContact CD2-CD 3.43Å; L432-Q462 VanDerWaalsContact CD2-OE1 3.32Å; Q462-N464 PolarHBondContact O-N 3.43Å
463N62.1Low65.6Low36 Ų3675 Ų7519%0.19340%0.396CS..  trans-72.5109172-81.6-35.8000109.1F465 C479 L482N463-F465 HydrophobicContact CB-CD2 4.12Å; N463-F465 HydrophobicContact CB-CE2 3.83Å; N463-F465 HydrophobicContact CB-CZ 4.19Å; N463-F465 WeakPolarHBondContact O-CD2 3.33Å; N463-F465 PolarHBondContact O-N 3.22Å; N463-C479 PolarHBondContact ND2-SG 2.92Å; N463-L482 WeakPolarHBondContact OD1-CD2 3.44Å
464N49.6Very low63.4Low99 Ų9979.2 Ų79.253%0.52942%0.415SS..  trans-70.996.9163.5-70.5-20.6000107.7Q462 H466Q462-N464 PolarHBondContact O-N 3.43Å; N464-H466 HydrophobicContact CB-CB 4.49Å; N464-H466 PolarHBondContact O-N 3.21Å
465F45.2Very low61.5Low63 Ų6377 Ų7728%0.27640%0.402SS..  trans-68.337175-76.2-79.7000113.3E193 N463 C479E193-F465 HydrophobicContact CG-CD2 3.65Å; E193-F465 HydrophobicContact CG-CE2 4.07Å; N463-F465 HydrophobicContact CB-CD2 4.12Å; N463-F465 HydrophobicContact CB-CE2 3.83Å; N463-F465 HydrophobicContact CB-CZ 4.19Å; N463-F465 WeakPolarHBondContact O-CD2 3.33Å; N463-F465 PolarHBondContact O-N 3.22Å; F465-C479 WeakPolarHBondContact CE1-SG 3.39Å
466H45.1Very low59.8Low96 Ų9678.6 Ų78.644%0.44442%0.416SS..  trans-110.520.8-161.1-77.6-58.7000116.2Y189 N464Y189-H466 AromaticContact CZ-CE1 3.62Å; Y189-H466 PolarHBondContact OH-CE1 3.16Å; Y189-H466 PolarHBondContact OH-NE2 2.99Å; N464-H466 HydrophobicContact CB-CB 4.49Å; N464-H466 PolarHBondContact O-N 3.21Å
467G33.1Very low58.4Low30 Ų3082.6 Ų82.631%0.30943%0.427SS..  trans-77.8138.4169.700000111.7
468S32.2Very low57.1Low80 Ų8083.9 Ų83.956%0.55944%0.441SS*.  trans-53.9145.3169.551.80000111D470 D471S468-D470 PolarHBondContact O-N 3.44Å; S468-D471 PolarHBondContact O-N 3.03Å; S468-D471 VanDerWaalsContact O-N 3.1Å
469F40Very low55.8Low184 Ų18483.6 Ų83.681%0.80744%0.441SS*.G310 helixtrans-50.6-19.1-171.9-86.9-92.9000116.2N472F469-N472 WeakPolarHBondContact CA-ND2 3.35Å; F469-N472 VanDerWaalsContact O-CG 3.27Å; F469-N472 PolarHBondContact O-ND2 3.05Å
470D41.6Very low55Low158 Ų15885.8 Ų85.885%0.84545%0.451SS*.G310 helixtrans-79.7-21.1180-76.2-29.2000115.1S468S468-D470 PolarHBondContact O-N 3.44Å
471D40Very low54.6Low110 Ų11089.1 Ų89.159%0.58847%0.468SS*.G310 helixtrans-96.817.1-179.6-77.8-34000113.8S468 K473 N474 L475S468-D471 PolarHBondContact O-N 3.03Å; S468-D471 VanDerWaalsContact O-N 3.1Å; D471-K473 PolarHBondContact O-N 3.46Å; D471-N474 PolarHBondContact O-N 3.3Å; D471-L475 PolarHBondContact O-N 3.41Å
472N44.1Very low54.6Low73 Ų7387.3 Ų87.339%0.3946%0.455SS..Hα-helixtrans-61.4-32.4-163.6-95.2-27.8000116.1F469 S476F469-N472 WeakPolarHBondContact CA-ND2 3.35Å; F469-N472 VanDerWaalsContact O-CG 3.27Å; F469-N472 PolarHBondContact O-ND2 3.05Å; N472-S476 WeakPolarHBondContact O-CB 3.37Å; N472-S476 PolarHBondContact O-N 2.92Å
473K48.8Very low55.2Low188 Ų18886.4 Ų86.482%0.81745%0.451SS*.Hα-helixtrans-72.7-42-176.5-77.8-175.7179.7175.60112.9D471 K477D471-K473 PolarHBondContact O-N 3.46Å; K473-K477 PolarHBondContact O-N 3.32Å
474N45.7Very low56.5Low135 Ų13588.6 Ų88.672%0.72246%0.462SS*.Hα-helixtrans-74.2-38.4179.4-74.8-19.6000111.1D471 K477 S478D471-N474 PolarHBondContact O-N 3.3Å; N474-K477 PolarHBondContact O-N 2.92Å; N474-S478 PolarHBondContact O-N 3.09Å; N474-S478 PolarHBondContact O-OG 3.08Å
475L51.4Low58.3Low64 Ų6486.1 Ų86.134%0.33545%0.447SS..Hα-helixtrans-69.8-39.5178.4-161.678.9000112.8D471 K477 S478 C479D471-L475 PolarHBondContact O-N 3.41Å; L475-K477 VanDerWaalsContact C-N 3.33Å; L475-K477 PolarHBondContact O-N 3.5Å; L475-S478 WeakPolarHBondContact CA-OG 3.43Å; L475-S478 PolarHBondContact O-N 2.92Å; L475-S478 PolarHBondContact O-OG 2.95Å; L475-C479 WeakPolarHBondContact O-CB 3.43Å; L475-C479 PolarHBondContact O-N 3.31Å
476S59.2Low60.5Low57 Ų5783.5 Ų83.540%0.39944%0.436SS..Hα-helixtrans-63.6-40.3175.6-178.70000111.6N472 Q480N472-S476 WeakPolarHBondContact O-CB 3.37Å; N472-S476 PolarHBondContact O-N 2.92Å; S476-Q480 WeakPolarHBondContact O-CG 3.26Å; S476-Q480 PolarHBondContact O-N 3.43Å; S476-Q480 PolarHBondContact OG-NE2 3.3Å
477K62.6Low62.8Low133 Ų13379.7 Ų79.758%0.57842%0.419SS*.Hα-helixtrans-67.1-46.1176.7-168.7173.9-178.5-179.20112K473 N474 L475 C479 Q480 D481K473-K477 PolarHBondContact O-N 3.32Å; N474-K477 PolarHBondContact O-N 2.92Å; L475-K477 VanDerWaalsContact C-N 3.33Å; L475-K477 PolarHBondContact O-N 3.5Å; K477-C479 VanDerWaalsContact C-N 3.29Å; K477-C479 PolarHBondContact O-N 2.97Å; K477-Q480 PolarHBondContact O-N 3.35Å; K477-D481 WeakPolarHBondContact O-CB 3.26Å; K477-D481 PolarHBondContact O-N 3.49Å
478S66.7Low65.6Low63 Ų6382.4 Ų82.444%0.44142%0.424SS..Hα-helixtrans-63-36.5177.565.40000112.7N474 L475 D481 L482N474-S478 PolarHBondContact O-N 3.09Å; N474-S478 PolarHBondContact O-OG 3.08Å; L475-S478 WeakPolarHBondContact CA-OG 3.43Å; L475-S478 PolarHBondContact O-N 2.92Å; L475-S478 PolarHBondContact O-OG 2.95Å; S478-D481 PolarHBondContact O-N 3.47Å; S478-L482 PolarHBondContact O-N 3Å
479C67.2Low68.5Low10 Ų1079.1 Ų79.17%0.06840%0.399CS..Hα-helixtrans-64.3-45.1175.7-1780000112.1N463 F465 L475 K477 L482 E483N463-C479 PolarHBondContact ND2-SG 2.92Å; F465-C479 WeakPolarHBondContact CE1-SG 3.39Å; L475-C479 WeakPolarHBondContact O-CB 3.43Å; L475-C479 PolarHBondContact O-N 3.31Å; K477-C479 VanDerWaalsContact C-N 3.29Å; K477-C479 PolarHBondContact O-N 2.97Å; C479-L482 PolarHBondContact O-N 3.47Å; C479-E483 PolarHBondContact O-N 2.74Å
480Q75Confident71.1Confident86 Ų8670.9 Ų70.940%0.40236%0.363SS..Hα-helixtrans-64.4-41.4174.4-72.2171.421.400112.1S476 K477 L482 E483 I484S476-Q480 WeakPolarHBondContact O-CG 3.26Å; S476-Q480 PolarHBondContact O-N 3.43Å; S476-Q480 PolarHBondContact OG-NE2 3.3Å; K477-Q480 PolarHBondContact O-N 3.35Å; Q480-L482 VanDerWaalsContact C-N 3.32Å; Q480-L482 PolarHBondContact O-N 2.92Å; Q480-E483 PolarHBondContact O-N 3.46Å; Q480-I484 VanDerWaalsContact O-CG1 3.29Å; Q480-I484 WeakPolarHBondContact O-CG1 3.3Å; Q480-I484 PolarHBondContact O-N 2.96Å
481D81.2Confident73.6Confident80 Ų8069.1 Ų69.143%0.42835%0.348SS..Hα-helixtrans-61.8-40.9177.1-70.7-26.2000111K477 S478 Q485K477-D481 WeakPolarHBondContact O-CB 3.26Å; K477-D481 PolarHBondContact O-N 3.49Å; S478-D481 PolarHBondContact O-N 3.47Å; D481-Q485 VanDerWaalsContact O-CB 3.29Å; D481-Q485 WeakPolarHBondContact O-CB 3.21Å; D481-Q485 PolarHBondContact O-N 2.81Å
482L84.2Confident76.1Confident36 Ų3666.4 Ų66.419%0.18833%0.333CS..Hα-helixtrans-67.1-42.6175.8-172.167.9000112.2V461 N463 S478 C479 Q480 I484 Q485 Q486V461-L482 HydrophobicContact CB-CD2 4.21Å; V461-L482 HydrophobicContact CG1-CD2 4.15Å; N463-L482 WeakPolarHBondContact OD1-CD2 3.44Å; S478-L482 PolarHBondContact O-N 3Å; C479-L482 PolarHBondContact O-N 3.47Å; Q480-L482 VanDerWaalsContact C-N 3.32Å; Q480-L482 PolarHBondContact O-N 2.92Å; L482-I484 PolarHBondContact O-N 2.85Å; L482-Q485 PolarHBondContact O-N 2.94Å; L482-Q486 HydrophobicContact CD1-CG 4.5Å; L482-Q486 WeakPolarHBondContact O-CG 3.43Å; L482-Q486 PolarHBondContact O-N 2.87Å
483E85.4Confident78.5Confident33 Ų3363.3 Ų63.315%0.15432%0.317CS..Hα-helixtrans-58.8-47.8176.5-169.3-159.315300110.8R204 C479 Q480 Q485 Q486 L487R204-E483 IonicContact CZ-OE1 3.75Å; R204-E483 IonicContact NE-OE1 2.8Å; R204-E483 PolarHBondContact NE-OE1 3.49Å; R204-E483 IonicContact NH2-OE1 2.74Å; R204-E483 PolarHBondContact NH2-OE1 3.31Å; C479-E483 PolarHBondContact O-N 2.74Å; Q480-E483 PolarHBondContact O-N 3.46Å; E483-Q485 VanDerWaalsContact C-N 3.34Å; E483-Q485 PolarHBondContact O-N 3Å; E483-Q486 PolarHBondContact O-N 3.12Å; E483-L487 HydrophobicContact CG-CD1 4.18Å; E483-L487 WeakPolarHBondContact O-CB 3.4Å; E483-L487 WeakPolarHBondContact O-CD1 3.48Å; E483-L487 WeakPolarHBondContact O-CG 3.2Å; E483-L487 PolarHBondContact O-N 2.89Å
484I87.4Confident80.6Confident82 Ų8258 Ų5842%0.42129%0.292SS..Hα-helixtrans-61.5-43.7177.8-68.6167.3000110.7Q480 L482 L487 E488Q480-I484 VanDerWaalsContact O-CG1 3.29Å; Q480-I484 WeakPolarHBondContact O-CG1 3.3Å; Q480-I484 PolarHBondContact O-N 2.96Å; L482-I484 PolarHBondContact O-N 2.85Å; I484-L487 WeakPolarHBondContact O-CB 3.36Å; I484-L487 PolarHBondContact O-N 3.03Å; I484-E488 PolarHBondContact O-N 3.35Å; I484-E488 VanDerWaalsContact O-N 3.07Å
485Q88.8Confident83.1Confident48 Ų4851.6 Ų51.622%0.22426%0.258CS..Hα-helixtrans-60.5-47.1177.2-175.1-170.2-35.900111.4P418 D481 L482 E483 L487 E488 I489P418-Q485 HydrophobicContact CG-CG 4.39Å; D481-Q485 VanDerWaalsContact O-CB 3.29Å; D481-Q485 WeakPolarHBondContact O-CB 3.21Å; D481-Q485 PolarHBondContact O-N 2.81Å; L482-Q485 PolarHBondContact O-N 2.94Å; E483-Q485 VanDerWaalsContact C-N 3.34Å; E483-Q485 PolarHBondContact O-N 3Å; Q485-L487 VanDerWaalsContact C-N 3.31Å; Q485-L487 PolarHBondContact O-N 2.9Å; Q485-E488 PolarHBondContact O-N 2.97Å; Q485-I489 HydrophobicContact CG-CD1 3.99Å; Q485-I489 VanDerWaalsContact O-CG1 3.28Å; Q485-I489 WeakPolarHBondContact O-CG1 3.48Å; Q485-I489 PolarHBondContact O-N 3.14Å
486Q91.7Very high85.3Confident7 Ų748.6 Ų48.63%0.03324%0.242CC..Hα-helixtrans-67.3-31178.9-70.2-166.281.200112.7Y427 Y458 A460 V461 L482 E483 R490Y427-Q486 PolarHBondContact OH-OE1 3.01Å; Y458-Q486 HydrophobicContact CE1-CG 4.2Å; A460-Q486 VanDerWaalsContact CB-OE1 3.27Å; V461-Q486 VanDerWaalsContact N-OE1 3.12Å; V461-Q486 PolarHBondContact O-NE2 2.89Å; L482-Q486 HydrophobicContact CD1-CG 4.5Å; L482-Q486 WeakPolarHBondContact O-CG 3.43Å; L482-Q486 PolarHBondContact O-N 2.87Å; E483-Q486 PolarHBondContact O-N 3.12Å; Q486-R490 WeakPolarHBondContact O-CB 3.26Å; Q486-R490 WeakPolarHBondContact O-CG 3.5Å; Q486-R490 PolarHBondContact O-N 2.87Å
487L92.3Very high87.1Confident16 Ų1645.9 Ų45.98%0.08422%0.223CC..Hα-helixtrans-64.2-42171.6-78.3160.3000112.7E483 I484 Q485 K491 Y515E483-L487 HydrophobicContact CG-CD1 4.18Å; E483-L487 WeakPolarHBondContact O-CB 3.4Å; E483-L487 WeakPolarHBondContact O-CD1 3.48Å; E483-L487 WeakPolarHBondContact O-CG 3.2Å; E483-L487 PolarHBondContact O-N 2.89Å; I484-L487 WeakPolarHBondContact O-CB 3.36Å; I484-L487 PolarHBondContact O-N 3.03Å; Q485-L487 VanDerWaalsContact C-N 3.31Å; Q485-L487 PolarHBondContact O-N 2.9Å; L487-K491 PolarHBondContact O-N 3.48Å; L487-Y515 HydrophobicContact CD2-CD1 4.11Å; L487-Y515 HydrophobicContact CD2-CE1 3.57Å
488E91.7Very high88.8Confident88 Ų8839.5 Ų39.541%0.41120%0.196SC..Hα-helixtrans-69.8-40175.9-70.4-54.9135.800111.6I484 Q485 R490 K491 N492I484-E488 PolarHBondContact O-N 3.35Å; I484-E488 VanDerWaalsContact O-N 3.07Å; Q485-E488 PolarHBondContact O-N 2.97Å; E488-R490 VanDerWaalsContact C-N 3.32Å; E488-R490 PolarHBondContact O-N 3.29Å; E488-K491 PolarHBondContact O-N 3.2Å; E488-K491 VanDerWaalsContact O-N 3.16Å; E488-K491 IonicContact OE1-NZ 3.85Å; E488-K491 PolarHBondContact OE1-NZ 3.22Å; E488-K491 IonicContact OE2-NZ 2.86Å; E488-N492 PolarHBondContact O-N 2.93Å; E488-N492 VanDerWaalsContact O-N 3.09Å
489I93.5Very high90.2Very high10 Ų1036.5 Ų36.55%0.05118%0.175CC..Hα-helixtrans-60.1-43.7175.1-67.2168.1000110.8P418 F424 Y427 Y458 Q485 K491 N492 C493P418-I489 HydrophobicContact CG-CD1 4.04Å; F424-I489 HydrophobicContact CD2-CG2 4.12Å; F424-I489 HydrophobicContact CE2-CG2 4.36Å; Y427-I489 HydrophobicContact CD2-CG2 3.99Å; Y427-I489 HydrophobicContact CE2-CG2 4.34Å; Y458-I489 HydrophobicContact CD1-CD1 4.42Å; Y458-I489 HydrophobicContact CD1-CG2 3.72Å; Y458-I489 HydrophobicContact CD2-CD1 3.94Å; Y458-I489 HydrophobicContact CD2-CG2 4.15Å; Y458-I489 HydrophobicContact CE1-CD1 3.95Å; Y458-I489 HydrophobicContact CE1-CG2 4.19Å; Y458-I489 HydrophobicContact CE2-CD1 3.46Å; Y458-I489 VanDerWaalsContact CE2-CD1 3.46Å; Y458-I489 HydrophobicContact CG-CD1 4.39Å; Y458-I489 HydrophobicContact CG-CG2 3.67Å; Y458-I489 VanDerWaalsContact CZ-CD1 3.45Å; Q485-I489 HydrophobicContact CG-CD1 3.99Å; Q485-I489 VanDerWaalsContact O-CG1 3.28Å; Q485-I489 WeakPolarHBondContact O-CG1 3.48Å; Q485-I489 PolarHBondContact O-N 3.14Å; I489-K491 VanDerWaalsContact C-N 3.25Å; I489-K491 PolarHBondContact O-N 3.48Å; I489-N492 CarbonylContact O-C 2.93Å; I489-N492 WeakPolarHBondContact O-CA 3.27Å; I489-N492 PolarHBondContact O-N 2.9Å; I489-C493 PolarHBondContact O-N 3.04Å; I489-C493 PolarHBondContact O-SG 2.8Å
490R95.6Very high91.5Very high12 Ų1236 Ų365%0.04517%0.171CC..Hα-helixtrans-54.6-39.4175.8-82.8-171.1-77171-20.4113.3Y427 Q486 E488 N492 C493 L496 Y498 E512 S516 L521Y427-R490 HydrophobicContact CD1-CG 3.84Å; Y427-R490 HydrophobicContact CD2-CG 3.89Å; Y427-R490 HydrophobicContact CE1-CG 3.63Å; Y427-R490 HydrophobicContact CE2-CG 3.72Å; Y427-R490 HydrophobicContact CG-CG 3.96Å; Q486-R490 WeakPolarHBondContact O-CB 3.26Å; Q486-R490 WeakPolarHBondContact O-CG 3.5Å; Q486-R490 PolarHBondContact O-N 2.87Å; E488-R490 VanDerWaalsContact C-N 3.32Å; E488-R490 PolarHBondContact O-N 3.29Å; R490-N492 VanDerWaalsContact C-N 3.34Å; R490-C493 PolarHBondContact O-N 3.42Å; R490-L496 HydrophobicContact CB-CD2 3.9Å; R490-L496 HydrophobicContact CG-CD2 3.78Å; R490-Y498 VanDerWaalsContact CD-OH 3.23Å; R490-Y498 WeakPolarHBondContact CD-OH 3.34Å; R490-E512 PolarHBondContact NH1-O 3.05Å; R490-S516 PolarHBondContact NH1-OG 3.37Å; R490-L521 HydrophobicContact CB-CD1 4.21Å
491K92.8Very high92.2Very high120 Ų12032 Ų3252%0.52215%0.152SC..Hα-helixtrans-71.5-30.3176.5-64.3172.7-170.91660112.6L487 E488 I489 C493L487-K491 PolarHBondContact O-N 3.48Å; E488-K491 PolarHBondContact O-N 3.2Å; E488-K491 VanDerWaalsContact O-N 3.16Å; E488-K491 IonicContact OE1-NZ 3.85Å; E488-K491 PolarHBondContact OE1-NZ 3.22Å; E488-K491 IonicContact OE2-NZ 2.86Å; I489-K491 VanDerWaalsContact C-N 3.25Å; I489-K491 PolarHBondContact O-N 3.48Å; K491-C493 VanDerWaalsContact C-N 3.31Å
492N92.4Very high92.5Very high53 Ų5329.3 Ų29.328%0.28314%0.138SC..THydrogen-bonded Turntrans-87.91.6178.9-66.7-14.5000113K420 I423 F424 E488 I489 R490K420-N492 PolarHBondContact O-ND2 2.74Å; I423-N492 WeakPolarHBondContact CG2-O 3.41Å; F424-N492 PolarHBondContact N-O 2.93Å; E488-N492 PolarHBondContact O-N 2.93Å; E488-N492 VanDerWaalsContact O-N 3.09Å; I489-N492 CarbonylContact O-C 2.93Å; I489-N492 WeakPolarHBondContact O-CA 3.27Å; I489-N492 PolarHBondContact O-N 2.9Å; R490-N492 VanDerWaalsContact C-N 3.34Å
493C94.6Very high92.6Very high8 Ų829.1 Ų29.15%0.05414%0.14CC..EExtended strand (participates in β ladder)trans-94.1138.8175.1-72.80000111.4F424 I489 R490 K491F424-C493 VanDerWaalsContact O-CA 3.29Å; F424-C493 WeakPolarHBondContact O-CA 3.41Å; I489-C493 PolarHBondContact O-N 3.04Å; I489-C493 PolarHBondContact O-SG 2.8Å; R490-C493 PolarHBondContact O-N 3.42Å; K491-C493 VanDerWaalsContact C-N 3.31Å
494R94.4Very high92.6Very high76 Ų7628.2 Ų28.229%0.28714%0.137SC..EExtended strand (participates in β ladder)trans-72.5-30.1178.7-65.2174.762.3-158.1-0.8112.7F424 D425 P522 L692F424-R494 PolarHBondContact O-N 3.27Å; F424-R494 VanDerWaalsContact O-N 3.17Å; D425-R494 WeakPolarHBondContact O-CB 3.5Å; D425-R494 PolarHBondContact O-N 3.02Å; D425-R494 WeakPolarHBondContact OD1-CD 3.31Å; D425-R494 IonicContact OD1-CZ 2.81Å; D425-R494 IonicContact OD1-NH1 3.85Å; D425-R494 PolarHBondContact OD1-NH1 3.19Å; R494-P522 WeakPolarHBondContact O-CG 3.16Å; R494-L692 HydrophobicContact CB-CD2 3.41Å; R494-L692 VanDerWaalsContact CB-CD2 3.41Å; R494-L692 HydrophobicContact CG-CD2 4.4Å; R494-L692 PolarHBondContact NH2-O 3.01Å
495I96.6Very high92.7Very high2 Ų224.6 Ų24.61%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-147.2148.4174.4-159.8153.4000110.8D425 V426 Y427 P522 V524 C688 K691 L692D425-I495 WeakPolarHBondContact O-CG2 3.4Å; D425-I495 PolarHBondContact O-N 3.35Å; V426-I495 WeakPolarHBondContact CA-O 3Å; V426-I495 HydrophobicContact CB-CG2 4.24Å; V426-I495 HydrophobicContact CG1-CG2 4.15Å; V426-I495 HydrophobicContact CG2-CG2 3.86Å; Y427-I495 PolarHBondContact N-O 3.16Å; I495-P522 CarbonylContact C-O 3.5Å; I495-P522 WeakPolarHBondContact CA-O 3.18Å; I495-P522 WeakPolarHBondContact CG1-O 3.28Å; I495-V524 HydrophobicContact CD1-CG2 3.74Å; I495-V524 HydrophobicContact CG1-CG2 4.05Å; I495-C688 HydrophobicContact CD1-CB 4.3Å; I495-C688 HydrophobicContact CG2-CB 4.31Å; I495-K691 HydrophobicContact CD1-CB 3.76Å; I495-K691 HydrophobicContact CD1-CD 3.77Å; I495-K691 HydrophobicContact CD1-CG 4.37Å; I495-L692 HydrophobicContact CB-CD2 4.24Å; I495-L692 HydrophobicContact CB-CG 4.46Å; I495-L692 HydrophobicContact CG2-CD1 3.69Å; I495-L692 HydrophobicContact CG2-CD2 4.08Å; I495-L692 HydrophobicContact CG2-CG 3.99Å
496L97.8Very high92.9Very high0 Ų022.6 Ų22.60%011%0.109CC..EExtended strand (participates in β ladder)trans-118.6114.5-179.2-62.775.3000109.3Y427 R490 Y498 L521 P522 V523 V524Y427-L496 HydrophobicContact CD1-CB 4.46Å; Y427-L496 HydrophobicContact CD1-CD2 4.49Å; Y427-L496 HydrophobicContact CD1-CG 4.4Å; R490-L496 HydrophobicContact CB-CD2 3.9Å; R490-L496 HydrophobicContact CG-CD2 3.78Å; L496-Y498 HydrophobicContact CB-CD2 4.46Å; L496-Y498 HydrophobicContact CB-CE2 3.96Å; L496-Y498 HydrophobicContact CD2-CE2 4.19Å; L496-L521 HydrophobicContact CD1-CB 4.04Å; L496-L521 HydrophobicContact CD2-CB 4.16Å; L496-L521 HydrophobicContact CD2-CD1 3.85Å; L496-P522 HydrophobicContact CD1-CG 3.91Å; L496-P522 WeakPolarHBondContact CD1-O 3.3Å; L496-P522 PolarHBondContact N-O 3.16Å; L496-V523 HydrophobicContact CB-CG2 4.28Å; L496-V523 CarbonylContact O-C 3.6Å; L496-V523 WeakPolarHBondContact O-CA 3.26Å; L496-V524 PolarHBondContact O-N 3.34Å
497L97.7Very high92.9Very high0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-98.1115.4174.9177.661.3000109.9V426 Y427 I428 A429 I499 V524 A684 L685V426-L497 HydrophobicContact CG1-CB 4.21Å; Y427-L497 PolarHBondContact O-N 3.15Å; I428-L497 WeakPolarHBondContact CA-O 3.36Å; A429-L497 PolarHBondContact N-O 3.14Å; L497-I499 HydrophobicContact CD2-CD1 4.43Å; L497-I499 HydrophobicContact CD2-CG1 4.45Å; L497-I499 HydrophobicContact CG-CG1 4.2Å; L497-V524 WeakPolarHBondContact CA-O 3.45Å; L497-V524 HydrophobicContact CD1-CB 4.42Å; L497-V524 HydrophobicContact CD1-CG1 4.12Å; L497-A684 HydrophobicContact CD1-CB 4.03Å; L497-L685 HydrophobicContact CD2-CD2 3.75Å
498Y97.7Very high92.9Very high0 Ų023.7 Ų23.70%012%0.115CC..EExtended strand (participates in β ladder)trans-103.4123.8172.3-72.3-82.7000110.5Y427 A429 R490 L496 T509 E512 A513 S516 V523 V524 L525 F526Y427-Y498 HydrophobicContact CE1-CE1 4.42Å; A429-Y498 HydrophobicContact CB-CD1 3.59Å; A429-Y498 HydrophobicContact CB-CE1 3.6Å; R490-Y498 VanDerWaalsContact CD-OH 3.23Å; R490-Y498 WeakPolarHBondContact CD-OH 3.34Å; L496-Y498 HydrophobicContact CB-CD2 4.46Å; L496-Y498 HydrophobicContact CB-CE2 3.96Å; L496-Y498 HydrophobicContact CD2-CE2 4.19Å; Y498-T509 HydrophobicContact CD1-CG2 3.87Å; Y498-E512 HydrophobicContact CD1-CB 4.49Å; Y498-E512 HydrophobicContact CE1-CB 3.57Å; Y498-E512 PolarHBondContact OH-O 2.77Å; Y498-A513 HydrophobicContact CD1-CB 3.88Å; Y498-A513 HydrophobicContact CD2-CB 3.83Å; Y498-A513 HydrophobicContact CE1-CB 4.29Å; Y498-A513 HydrophobicContact CE2-CB 4.22Å; Y498-A513 HydrophobicContact CG-CB 3.64Å; Y498-S516 PolarHBondContact OH-OG 2.86Å; Y498-V523 HydrophobicContact CD2-CG1 3.95Å; Y498-V523 HydrophobicContact CD2-CG2 4.48Å; Y498-V523 HydrophobicContact CE2-CG1 4.43Å; Y498-V523 HydrophobicContact CE2-CG2 4.17Å; Y498-V524 PolarHBondContact N-O 2.97Å; Y498-L525 HydrophobicContact CD2-CD2 4.3Å; Y498-L525 HydrophobicContact CG-CD2 4.45Å; Y498-F526 PolarHBondContact O-N 3.34Å
499I95.4Very high93.1Very high0 Ų019.6 Ų19.60%010%0.096CC..EExtended strand (participates in β ladder)trans-104.5112.7-178.2-63164000109I428 A429 G430 I431 I446 L497 F526 I681I428-I499 HydrophobicContact CG2-CD1 3.75Å; A429-I499 WeakPolarHBondContact O-CB 3.31Å; A429-I499 PolarHBondContact O-N 3.44Å; G430-I499 WeakPolarHBondContact CA-O 3.4Å; I431-I499 HydrophobicContact CD1-CD1 3.58Å; I431-I499 HydrophobicContact CG1-CD1 4.4Å; I446-I499 HydrophobicContact CD1-CD1 3.45Å; I446-I499 VanDerWaalsContact CD1-CD1 3.45Å; L497-I499 HydrophobicContact CD2-CD1 4.43Å; L497-I499 HydrophobicContact CD2-CG1 4.45Å; L497-I499 HydrophobicContact CG-CG1 4.2Å; I499-F526 HydrophobicContact CB-CD1 4.1Å; I499-F526 HydrophobicContact CG1-CD1 4.18Å; I499-F526 HydrophobicContact CG2-CD1 3.56Å; I499-F526 HydrophobicContact CG2-CE1 3.86Å; I499-I681 HydrophobicContact CD1-CD1 4.25Å; I499-I681 HydrophobicContact CG1-CD1 4.19Å
500I94.6Very high93.3Very high0 Ų019.2 Ų19.20%09%0.094CC..EExtended strand (participates in β ladder)trans-123.380.5179.2-60.7151000106.8H506 T509 L510 F526 I527 Q528 R663 L666I500-H506 HydrophobicContact CB-CB 4.49Å; I500-H506 HydrophobicContact CG1-CB 4.4Å; I500-H506 HydrophobicContact CG2-CB 4.02Å; I500-T509 HydrophobicContact CG1-CG2 4.14Å; I500-L510 HydrophobicContact CD1-CD2 3.63Å; I500-L510 HydrophobicContact CD1-CG 4.22Å; I500-L510 HydrophobicContact CG1-CD2 4.24Å; I500-L510 HydrophobicContact CG1-CG 4.39Å; I500-L510 HydrophobicContact CG2-CD2 4.11Å; I500-L510 HydrophobicContact CG2-CG 4.34Å; I500-F526 PolarHBondContact N-O 2.58Å; I500-I527 HydrophobicContact CB-CG1 4.22Å; I500-I527 HydrophobicContact CD1-CD1 4.14Å; I500-I527 HydrophobicContact CD1-CG1 3.89Å; I500-I527 HydrophobicContact CG2-CG2 4.44Å; I500-I527 CarbonylContact O-C 3.45Å; I500-I527 WeakPolarHBondContact O-CA 3.27Å; I500-Q528 PolarHBondContact O-N 2.79Å; I500-R663 HydrophobicContact CG2-CG 4.31Å; I500-L666 HydrophobicContact CD1-CD2 3.68Å
501D90.4Very high93.3Very high0 Ų019.3 Ų19.30%010%0.095CC..  trans-78.4179.4176.766.642.8000112F437 S438 S503 H506 F526 R663F437-D501 HydrophobicContact CE1-CB 4.05Å; S438-D501 PolarHBondContact OG-OD2 2.93Å; D501-S503 VanDerWaalsContact CG-OG 3.24Å; D501-S503 WeakPolarHBondContact OD1-CA 3.34Å; D501-S503 VanDerWaalsContact OD1-CB 3.31Å; D501-S503 WeakPolarHBondContact OD1-CB 3.48Å; D501-S503 PolarHBondContact OD1-N 3.11Å; D501-S503 PolarHBondContact OD1-OG 3.21Å; D501-S503 PolarHBondContact OD2-OG 3.24Å; D501-H506 VanDerWaalsContact CG-NE2 3.26Å; D501-H506 PolarHBondContact N-NE2 3.08Å; D501-H506 PolarHBondContact O-CD2 3.08Å; D501-H506 IonicContact OD1-CD2 3.34Å; D501-H506 IonicContact OD1-CE1 2.84Å; D501-H506 IonicContact OD1-NE2 3.3Å; D501-H506 PolarHBondContact OD1-NE2 3Å; D501-H506 IonicContact OD2-NE2 2.71Å; D501-F526 HydrophobicContact CB-CE1 4.25Å; D501-R663 PolarHBondContact O-NH2 3.25Å
502N88.5Confident93.4Very high24 Ų2415.6 Ų15.613%0.1288%0.079CC..SBendtrans-98.214.8177.268.45.7000113.7Q528 M529 F530N502-Q528 HydrophobicContact CB-CB 4.07Å; N502-M529 VanDerWaalsContact CB-O 3.32Å; N502-M529 WeakPolarHBondContact CB-O 3.28Å; N502-M529 PolarHBondContact ND2-O 3.34Å; N502-F530 HydrophobicContact CB-CD1 3.95Å; N502-F530 HydrophobicContact CB-CE1 4.34Å; N502-F530 WeakPolarHBondContact O-CE1 3.47Å
503S84.9Confident93.7Very high33 Ų3313 Ų1323%0.2317%0.066CC..SBendtrans-88.5-15.1176.376.80000113N435 D501N435-S503 PolarHBondContact ND2-OG 2.83Å; D501-S503 VanDerWaalsContact CG-OG 3.24Å; D501-S503 WeakPolarHBondContact OD1-CA 3.34Å; D501-S503 VanDerWaalsContact OD1-CB 3.31Å; D501-S503 WeakPolarHBondContact OD1-CB 3.48Å; D501-S503 PolarHBondContact OD1-N 3.11Å; D501-S503 PolarHBondContact OD1-OG 3.21Å; D501-S503 PolarHBondContact OD2-OG 3.24Å
504S86.8Confident93.9Very high13 Ų1312.7 Ų12.79%0.0916%0.063CC..SBendtrans-151.9174.4-179.7-1740000112.3L432 H506 F530 R663L432-S504 WeakPolarHBondContact CD1-OG 3.49Å; S504-H506 PolarHBondContact O-CD2 2.97Å; S504-F530 VanDerWaalsContact O-CZ 3.25Å; S504-F530 WeakPolarHBondContact O-CZ 3.41Å; S504-R663 PolarHBondContact O-NH2 3.04Å
505F89.5Confident94Very high6 Ų610.2 Ų10.23%0.0265%0.054CC..  trans-73.4-32.3-179.7-56.5-60.5000113.7E187 F190 L507 F530 L651 Y659E187-F505 HydrophobicContact CB-CZ 4.4Å; E187-F505 HydrophobicContact CG-CZ 4.35Å; F190-F505 HydrophobicContact CB-CD2 4.08Å; F190-F505 AromaticContact CD2-CD2 3.47Å; F190-F505 HydrophobicContact CD2-CD2 3.47Å; F190-F505 VanDerWaalsContact CD2-CD2 3.47Å; F190-F505 AromaticContact CD2-CE2 3.57Å; F190-F505 HydrophobicContact CD2-CE2 3.57Å; F190-F505 HydrophobicContact CE2-CD2 4.03Å; F190-F505 HydrophobicContact CE2-CE2 4.04Å; F190-F505 AromaticContact CG-CD2 3.87Å; F190-F505 HydrophobicContact CG-CD2 3.87Å; F190-F505 HydrophobicContact CG-CE2 4.38Å; F505-L507 HydrophobicContact CB-CG 4.02Å; F505-L507 PolarHBondContact O-N 3.01Å; F505-F530 HydrophobicContact CD1-CE2 4.46Å; F505-F530 HydrophobicContact CD1-CZ 4.25Å; F505-L651 HydrophobicContact CE1-CD1 3.64Å; F505-L651 HydrophobicContact CE1-CD2 3.76Å; F505-L651 HydrophobicContact CE1-CG 4.25Å; F505-L651 HydrophobicContact CZ-CD1 4.24Å; F505-L651 HydrophobicContact CZ-CD2 3.84Å; F505-L651 HydrophobicContact CZ-CG 4.46Å; F505-Y659 HydrophobicContact CB-CD1 4.35Å; F505-Y659 HydrophobicContact CB-CE1 3.83Å; F505-Y659 AromaticContact CD1-CD1 3.85Å; F505-Y659 HydrophobicContact CD1-CD1 3.85Å; F505-Y659 AromaticContact CD1-CD2 3.92Å; F505-Y659 HydrophobicContact CD1-CD2 3.92Å; F505-Y659 AromaticContact CD1-CE1 3.38Å; F505-Y659 HydrophobicContact CD1-CE1 3.38Å; F505-Y659 AromaticContact CD1-CE2 3.51Å; F505-Y659 HydrophobicContact CD1-CE2 3.51Å; F505-Y659 HydrophobicContact CD1-CG 4.13Å; F505-Y659 AromaticContact CD1-CZ 3.24Å; F505-Y659 HydrophobicContact CE1-CD2 4.02Å; F505-Y659 HydrophobicContact CE1-CE1 4.16Å; F505-Y659 AromaticContact CE1-CE2 3.43Å; F505-Y659 HydrophobicContact CE1-CE2 3.43Å; F505-Y659 VanDerWaalsContact CE1-CE2 3.43Å; F505-Y659 AromaticContact CE1-CZ 3.54Å; F505-Y659 AromaticContact CG-CE1 3.83Å; F505-Y659 HydrophobicContact CG-CE1 3.83Å; F505-Y659 AromaticContact CG-CZ 3.91Å; F505-Y659 HydrophobicContact CZ-CE2 4.46Å
506H91.3Very high94.1Very high6 Ų610.1 Ų10.13%0.0285%0.054CC..  trans53.731.3179.6-68.7-74000114.7G430 I500 D501 S504 I508 T509 L510G430-H506 PolarHBondContact O-CE1 2.68Å; I500-H506 HydrophobicContact CB-CB 4.49Å; I500-H506 HydrophobicContact CG1-CB 4.4Å; I500-H506 HydrophobicContact CG2-CB 4.02Å; D501-H506 VanDerWaalsContact CG-NE2 3.26Å; D501-H506 PolarHBondContact N-NE2 3.08Å; D501-H506 PolarHBondContact O-CD2 3.08Å; D501-H506 IonicContact OD1-CD2 3.34Å; D501-H506 IonicContact OD1-CE1 2.84Å; D501-H506 IonicContact OD1-NE2 3.3Å; D501-H506 PolarHBondContact OD1-NE2 3Å; D501-H506 IonicContact OD2-NE2 2.71Å; S504-H506 PolarHBondContact O-CD2 2.97Å; H506-I508 PolarHBondContact O-N 2.81Å; H506-T509 PolarHBondContact O-N 3.35Å; H506-L510 WeakPolarHBondContact O-CB 3.46Å; H506-L510 VanDerWaalsContact O-CG 3.29Å; H506-L510 WeakPolarHBondContact O-CG 3.38Å; H506-L510 PolarHBondContact O-N 3.25Å
507L92.8Very high94.1Very high16 Ų1610.2 Ų10.28%0.0845%0.054CC..Hα-helixtrans-59.5-44.8-174.2-68.3-178.5000113.6L147 F190 L191 A194 F505 L510 M511 Y659L147-L507 HydrophobicContact CD1-CD2 4.23Å; L147-L507 HydrophobicContact CD2-CD1 4.13Å; L147-L507 HydrophobicContact CD2-CD2 3.64Å; L147-L507 HydrophobicContact CG-CD2 4.49Å; F190-L507 HydrophobicContact CB-CD1 4.45Å; L191-L507 HydrophobicContact CD2-CD1 3.79Å; L191-L507 HydrophobicContact CG-CD1 4.42Å; A194-L507 HydrophobicContact CB-CB 3.77Å; A194-L507 HydrophobicContact CB-CD1 4.13Å; F505-L507 HydrophobicContact CB-CG 4.02Å; F505-L507 PolarHBondContact O-N 3.01Å; L507-L510 HydrophobicContact CD2-CD1 4.29Å; L507-L510 WeakPolarHBondContact O-CB 3.44Å; L507-L510 PolarHBondContact O-N 3.47Å; L507-M511 WeakPolarHBondContact O-CG 3.32Å; L507-M511 PolarHBondContact O-N 2.91Å; L507-Y659 HydrophobicContact CD1-CE1 4.35Å; L507-Y659 HydrophobicContact CD2-CD1 4.22Å; L507-Y659 HydrophobicContact CD2-CE1 3.82Å; L507-Y659 HydrophobicContact CG-CE1 4.27Å
508I92.7Very high93.9Very high30 Ų3010.3 Ų10.315%0.1546%0.055CC..Hα-helixtrans-66.2-45.6177.4-62.9171.6000110.1E193 H506 L510 M511 E512E193-I508 HydrophobicContact CG-CD1 4Å; E193-I508 WeakPolarHBondContact OE1-CD1 3.27Å; H506-I508 PolarHBondContact O-N 2.81Å; I508-L510 VanDerWaalsContact C-N 3.31Å; I508-L510 PolarHBondContact O-N 3.38Å; I508-M511 WeakPolarHBondContact O-CB 3.26Å; I508-M511 PolarHBondContact O-N 3.47Å; I508-M511 VanDerWaalsContact O-N 3.13Å; I508-E512 HydrophobicContact CG2-CG 4.3Å; I508-E512 WeakPolarHBondContact O-CG 3.36Å; I508-E512 PolarHBondContact O-N 3.43Å
509T95.1Very high93.8Very high2 Ų212.6 Ų12.61%0.0127%0.07CC..Hα-helixtrans-58.9-41.6176.7-450000112A429 Y498 I500 H506 E512 A513A429-T509 HydrophobicContact CB-CG2 4.41Å; Y498-T509 HydrophobicContact CD1-CG2 3.87Å; I500-T509 HydrophobicContact CG1-CG2 4.14Å; H506-T509 PolarHBondContact O-N 3.35Å; T509-E512 PolarHBondContact O-N 2.93Å; T509-A513 WeakPolarHBondContact O-CB 3.07Å; T509-A513 PolarHBondContact O-N 3.48Å
510L97Very high93.8Very high2 Ų219.4 Ų19.41%0.0110%0.102CC..Hα-helixtrans-58.5-50.2173.9-77.4163.3000110.4L151 I500 H506 L507 I508 A513 A514 V662 L666L151-L510 VanDerWaalsContact CD1-C 3.42Å; L151-L510 HydrophobicContact CD1-CB 4.1Å; L151-L510 WeakPolarHBondContact CD1-O 3.31Å; I500-L510 HydrophobicContact CD1-CD2 3.63Å; I500-L510 HydrophobicContact CD1-CG 4.22Å; I500-L510 HydrophobicContact CG1-CD2 4.24Å; I500-L510 HydrophobicContact CG1-CG 4.39Å; I500-L510 HydrophobicContact CG2-CD2 4.11Å; I500-L510 HydrophobicContact CG2-CG 4.34Å; H506-L510 WeakPolarHBondContact O-CB 3.46Å; H506-L510 VanDerWaalsContact O-CG 3.29Å; H506-L510 WeakPolarHBondContact O-CG 3.38Å; H506-L510 PolarHBondContact O-N 3.25Å; L507-L510 HydrophobicContact CD2-CD1 4.29Å; L507-L510 WeakPolarHBondContact O-CB 3.44Å; L507-L510 PolarHBondContact O-N 3.47Å; I508-L510 VanDerWaalsContact C-N 3.31Å; I508-L510 PolarHBondContact O-N 3.38Å; L510-A513 WeakPolarHBondContact O-CB 3.47Å; L510-A513 PolarHBondContact O-N 3.15Å; L510-A514 PolarHBondContact O-N 3.25Å; L510-V662 HydrophobicContact CD1-CG1 4.09Å; L510-V662 HydrophobicContact CD1-CG2 4.41Å; L510-L666 HydrophobicContact CD2-CD2 3.64Å
511M96.3Very high93.8Very high15 Ų1521.1 Ų21.17%0.07411%0.111CC..Hα-helixtrans-61.6-43.5177.8-73.4171.45500112.7L150 L151 T154 A194 C197 F198 L507 I508 A513 A514 Y515L150-M511 HydrophobicContact CD2-SD 3.8Å; L150-M511 HydrophobicContact CG-SD 4.04Å; L151-M511 HydrophobicContact CD1-CG 4.39Å; T154-M511 HydrophobicContact CG2-CB 4.18Å; T154-M511 VanDerWaalsContact CG2-O 3.24Å; T154-M511 WeakPolarHBondContact CG2-O 3.48Å; A194-M511 HydrophobicContact CB-SD 4.09Å; C197-M511 HydrophobicContact CB-CE 4.48Å; F198-M511 HydrophobicContact CB-CE 3.55Å; F198-M511 HydrophobicContact CD2-CE 4.1Å; F198-M511 HydrophobicContact CG-CE 4.3Å; L507-M511 WeakPolarHBondContact O-CG 3.32Å; L507-M511 PolarHBondContact O-N 2.91Å; I508-M511 WeakPolarHBondContact O-CB 3.26Å; I508-M511 PolarHBondContact O-N 3.47Å; I508-M511 VanDerWaalsContact O-N 3.13Å; M511-A513 VanDerWaalsContact C-N 3.32Å; M511-A513 PolarHBondContact O-N 2.84Å; M511-A514 PolarHBondContact O-N 2.71Å; M511-Y515 WeakPolarHBondContact O-CB 3.24Å; M511-Y515 PolarHBondContact O-N 2.86Å
512E95.9Very high94.1Very high41 Ų4124 Ų2419%0.19213%0.13CC..Hα-helixtrans-61.9-41.2176.3-72.2177.4168.200112R490 Y498 I508 T509 Y515 S516R490-E512 PolarHBondContact NH1-O 3.05Å; Y498-E512 HydrophobicContact CD1-CB 4.49Å; Y498-E512 HydrophobicContact CE1-CB 3.57Å; Y498-E512 PolarHBondContact OH-O 2.77Å; I508-E512 HydrophobicContact CG2-CG 4.3Å; I508-E512 WeakPolarHBondContact O-CG 3.36Å; I508-E512 PolarHBondContact O-N 3.43Å; T509-E512 PolarHBondContact O-N 2.93Å; E512-Y515 PolarHBondContact O-N 3.5Å; E512-S516 WeakPolarHBondContact O-CB 3.34Å; E512-S516 PolarHBondContact O-N 3.08Å; E512-S516 PolarHBondContact O-OG 3.48Å; E512-S516 VanDerWaalsContact O-OG 3.06Å
513A98Very high94.5Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-60.3-53.9174.300000110.3Y498 T509 L510 M511 Y515 S516 I517 L525 L666Y498-A513 HydrophobicContact CD1-CB 3.88Å; Y498-A513 HydrophobicContact CD2-CB 3.83Å; Y498-A513 HydrophobicContact CE1-CB 4.29Å; Y498-A513 HydrophobicContact CE2-CB 4.22Å; Y498-A513 HydrophobicContact CG-CB 3.64Å; T509-A513 WeakPolarHBondContact O-CB 3.07Å; T509-A513 PolarHBondContact O-N 3.48Å; L510-A513 WeakPolarHBondContact O-CB 3.47Å; L510-A513 PolarHBondContact O-N 3.15Å; M511-A513 VanDerWaalsContact C-N 3.32Å; M511-A513 PolarHBondContact O-N 2.84Å; A513-Y515 VanDerWaalsContact C-N 3.28Å; A513-Y515 PolarHBondContact O-N 3.45Å; A513-S516 PolarHBondContact O-N 3.22Å; A513-S516 VanDerWaalsContact O-N 3.1Å; A513-I517 WeakPolarHBondContact O-CG1 3.48Å; A513-I517 PolarHBondContact O-N 3.13Å; A513-L525 HydrophobicContact CB-CD2 4.01Å; A513-L666 HydrophobicContact CB-CD2 3.98Å
514A97.8Very high95.1Very high0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-57.4-39.917800000112.9L151 T154 L510 M511 I517 G518 L666L151-A514 HydrophobicContact CD1-CB 3.36Å; L151-A514 HydrophobicContact CG-CB 3.85Å; T154-A514 HydrophobicContact CG2-CB 4.44Å; L510-A514 PolarHBondContact O-N 3.25Å; M511-A514 PolarHBondContact O-N 2.71Å; A514-I517 PolarHBondContact O-N 2.95Å; A514-G518 PolarHBondContact O-N 3.2Å; A514-L666 HydrophobicContact CB-CD1 4.24Å
515Y97.5Very high95.7Very high25 Ų2520.8 Ų20.810%0.09811%0.109CC..Hα-helixtrans-63.2-45.9175.6-172.5-91.8000112.1T154 S158 M201 R204 L205 L487 M511 E512 A513 I517 G518 C519T154-Y515 HydrophobicContact CG2-CD2 4.4Å; S158-Y515 VanDerWaalsContact CB-CD2 3.45Å; S158-Y515 VanDerWaalsContact CB-O 3.31Å; S158-Y515 WeakPolarHBondContact CB-O 3.24Å; S158-Y515 PolarHBondContact OG-O 2.81Å; M201-Y515 HydrophobicContact CG-CD2 4.43Å; M201-Y515 HydrophobicContact CG-CE2 4.16Å; M201-Y515 HydrophobicContact SD-CD2 3.34Å; M201-Y515 WeakPolarHBondContact SD-CD2 3.27Å; M201-Y515 HydrophobicContact SD-CE2 3.64Å; M201-Y515 HydrophobicContact SD-CG 4.28Å; R204-Y515 PolarHBondContact NH1-OH 3.28Å; L205-Y515 HydrophobicContact CD1-CE2 4.05Å; L487-Y515 HydrophobicContact CD2-CD1 4.11Å; L487-Y515 HydrophobicContact CD2-CE1 3.57Å; M511-Y515 WeakPolarHBondContact O-CB 3.24Å; M511-Y515 PolarHBondContact O-N 2.86Å; E512-Y515 PolarHBondContact O-N 3.5Å; A513-Y515 VanDerWaalsContact C-N 3.28Å; A513-Y515 PolarHBondContact O-N 3.45Å; Y515-I517 VanDerWaalsContact C-N 3.32Å; Y515-I517 PolarHBondContact O-N 3.06Å; Y515-G518 PolarHBondContact O-N 3.06Å; Y515-C519 WeakPolarHBondContact CE1-SG 3.36Å; Y515-C519 WeakPolarHBondContact O-CB 3.48Å; Y515-C519 PolarHBondContact O-N 3.31Å; Y515-C519 PolarHBondContact O-SG 3.34Å
516S97.9Very high96Very high0 Ų020.7 Ų20.70%011%0.108CC..Hα-helixtrans-65.2-37.3178.4-67.30000111.8R490 Y498 E512 A513 C519 H520 L521R490-S516 PolarHBondContact NH1-OG 3.37Å; Y498-S516 PolarHBondContact OH-OG 2.86Å; E512-S516 WeakPolarHBondContact O-CB 3.34Å; E512-S516 PolarHBondContact O-N 3.08Å; E512-S516 PolarHBondContact O-OG 3.48Å; E512-S516 VanDerWaalsContact O-OG 3.06Å; A513-S516 PolarHBondContact O-N 3.22Å; A513-S516 VanDerWaalsContact O-N 3.1Å; S516-C519 CarbonylContact O-C 3.59Å; S516-C519 PolarHBondContact O-N 2.9Å; S516-H520 PolarHBondContact O-N 2.89Å; S516-L521 WeakPolarHBondContact O-CB 3.32Å; S516-L521 PolarHBondContact O-N 3.49Å
517I97.4Very high96.3Very high2 Ų220.4 Ų20.41%0.0111%0.107CC..Hα-helixtrans-62.2-48.8174.6-68.8179000111Y155 A513 A514 Y515 C519 H520 V523 L525 L666 L669 L673 I675Y155-I517 HydrophobicContact CD2-CG2 4.34Å; Y155-I517 HydrophobicContact CE2-CG2 4.02Å; A513-I517 WeakPolarHBondContact O-CG1 3.48Å; A513-I517 PolarHBondContact O-N 3.13Å; A514-I517 PolarHBondContact O-N 2.95Å; Y515-I517 VanDerWaalsContact C-N 3.32Å; Y515-I517 PolarHBondContact O-N 3.06Å; I517-C519 VanDerWaalsContact C-N 3.27Å; I517-C519 PolarHBondContact O-N 3.47Å; I517-H520 WeakPolarHBondContact O-CA 3.49Å; I517-H520 PolarHBondContact O-N 3.43Å; I517-V523 HydrophobicContact CG1-CB 4.28Å; I517-V523 HydrophobicContact CG1-CG1 4.21Å; I517-V523 HydrophobicContact CG1-CG2 4.13Å; I517-L525 HydrophobicContact CD1-CD1 4.16Å; I517-L666 HydrophobicContact CD1-CD1 3.81Å; I517-L669 HydrophobicContact CG2-CD2 4.06Å; I517-L669 HydrophobicContact CG2-CG 4.16Å; I517-L673 HydrophobicContact CG2-CD1 3.47Å; I517-L673 VanDerWaalsContact CG2-CD1 3.47Å; I517-I675 HydrophobicContact CB-CD1 4.14Å; I517-I675 HydrophobicContact CD1-CD1 3.98Å; I517-I675 HydrophobicContact CG1-CD1 3.72Å; I517-I675 HydrophobicContact CG2-CD1 3.54Å
518G94.8Very high96.3Very high2 Ų221.2 Ų21.22%0.02111%0.11CC..Hα-helixtrans-74-17.7178.400000114Y155 S158 A514 Y515 H520Y155-G518 VanDerWaalsContact CE2-CA 3.44Å; S158-G518 VanDerWaalsContact OG-C 3.24Å; S158-G518 WeakPolarHBondContact OG-CA 3.39Å; A514-G518 PolarHBondContact O-N 3.2Å; Y515-G518 PolarHBondContact O-N 3.06Å; G518-H520 PolarHBondContact O-CE1 3.03Å; G518-H520 PolarHBondContact O-N 3.15Å; G518-H520 PolarHBondContact O-ND1 3.38Å
519C95.3Very high96.2Very high47 Ų4722.1 Ų22.132%0.31812%0.115SC..THydrogen-bonded Turntrans-74.8-3.5162.5-66.50000113.8Y515 S516 I517 L521Y515-C519 WeakPolarHBondContact CE1-SG 3.36Å; Y515-C519 WeakPolarHBondContact O-CB 3.48Å; Y515-C519 PolarHBondContact O-N 3.31Å; Y515-C519 PolarHBondContact O-SG 3.34Å; S516-C519 CarbonylContact O-C 3.59Å; S516-C519 PolarHBondContact O-N 2.9Å; I517-C519 VanDerWaalsContact C-N 3.27Å; I517-C519 PolarHBondContact O-N 3.47Å; C519-L521 VanDerWaalsContact C-N 3.29Å; C519-L521 HydrophobicContact CB-CD1 4.32Å; C519-L521 HydrophobicContact CB-CG 3.94Å; C519-L521 PolarHBondContact O-N 3.47Å
520H94.3Very high95.8Very high143 Ų14322.3 Ų22.366%0.66212%0.116SC*.THydrogen-bonded Turntrans59.834-176.2-53.274000113.7S516 I517 G518S516-H520 PolarHBondContact O-N 2.89Å; I517-H520 WeakPolarHBondContact O-CA 3.49Å; I517-H520 PolarHBondContact O-N 3.43Å; G518-H520 PolarHBondContact O-CE1 3.03Å; G518-H520 PolarHBondContact O-N 3.15Å; G518-H520 PolarHBondContact O-ND1 3.38Å
521L95.9Very high95.1Very high37 Ų3726 Ų2619%0.19414%0.135CC..  trans-77.5153.8175.5-62.4-178000111.3R490 L496 S516 C519 V523R490-L521 HydrophobicContact CB-CD1 4.21Å; L496-L521 HydrophobicContact CD1-CB 4.04Å; L496-L521 HydrophobicContact CD2-CB 4.16Å; L496-L521 HydrophobicContact CD2-CD1 3.85Å; S516-L521 WeakPolarHBondContact O-CB 3.32Å; S516-L521 PolarHBondContact O-N 3.49Å; C519-L521 VanDerWaalsContact C-N 3.29Å; C519-L521 HydrophobicContact CB-CD1 4.32Å; C519-L521 HydrophobicContact CB-CG 3.94Å; C519-L521 PolarHBondContact O-N 3.47Å; L521-V523 PolarHBondContact O-N 3.21Å
522P95.7Very high93.6Very high60 Ų6026.6 Ų26.639%0.3914%0.141SC..  trans-71.888.6-179.928.4-34.3000111.2R494 I495 L496R494-P522 WeakPolarHBondContact O-CG 3.16Å; I495-P522 CarbonylContact C-O 3.5Å; I495-P522 WeakPolarHBondContact CA-O 3.18Å; I495-P522 WeakPolarHBondContact CG1-O 3.28Å; L496-P522 HydrophobicContact CD1-CG 3.91Å; L496-P522 WeakPolarHBondContact CD1-O 3.3Å; L496-P522 PolarHBondContact N-O 3.16Å
523V98.1Very high91.8Very high3 Ų327.6 Ų27.62%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-95.5146.1-176.5172.60000111.7L496 Y498 I517 L521 L525 I675L496-V523 HydrophobicContact CB-CG2 4.28Å; L496-V523 CarbonylContact O-C 3.6Å; L496-V523 WeakPolarHBondContact O-CA 3.26Å; Y498-V523 HydrophobicContact CD2-CG1 3.95Å; Y498-V523 HydrophobicContact CD2-CG2 4.48Å; Y498-V523 HydrophobicContact CE2-CG1 4.43Å; Y498-V523 HydrophobicContact CE2-CG2 4.17Å; I517-V523 HydrophobicContact CG1-CB 4.28Å; I517-V523 HydrophobicContact CG1-CG1 4.21Å; I517-V523 HydrophobicContact CG1-CG2 4.13Å; L521-V523 PolarHBondContact O-N 3.21Å; V523-L525 HydrophobicContact CG1-CD2 3.44Å; V523-L525 VanDerWaalsContact CG1-CD2 3.44Å; V523-L525 HydrophobicContact CG1-CG 3.86Å; V523-I675 HydrophobicContact CB-CG2 4.13Å; V523-I675 HydrophobicContact CG1-CG2 4.05Å
524V98Very high89.4Confident0 Ų032.8 Ų32.80%018%0.178CC..EExtended strand (participates in β ladder)trans-127.9133161.1174.30000107.6I495 L496 L497 Y498 P676 A684 L687I495-V524 HydrophobicContact CD1-CG2 3.74Å; I495-V524 HydrophobicContact CG1-CG2 4.05Å; L496-V524 PolarHBondContact O-N 3.34Å; L497-V524 WeakPolarHBondContact CA-O 3.45Å; L497-V524 HydrophobicContact CD1-CB 4.42Å; L497-V524 HydrophobicContact CD1-CG1 4.12Å; Y498-V524 PolarHBondContact N-O 2.97Å; V524-P676 HydrophobicContact CG2-CB 4.46Å; V524-P676 HydrophobicContact CG2-CG 4.34Å; V524-A684 HydrophobicContact CG1-CB 4.44Å; V524-L687 HydrophobicContact CG1-CB 4.45Å
525L98.1Very high86.8Confident0 Ų038.9 Ų38.90%021%0.207CC..EExtended strand (participates in β ladder)trans-108.6130.5-178.2-58.9179.5000110.6Y498 A513 I517 V523 I527 L666 A670 I675 P676 V677 A678Y498-L525 HydrophobicContact CD2-CD2 4.3Å; Y498-L525 HydrophobicContact CG-CD2 4.45Å; A513-L525 HydrophobicContact CB-CD2 4.01Å; I517-L525 HydrophobicContact CD1-CD1 4.16Å; V523-L525 HydrophobicContact CG1-CD2 3.44Å; V523-L525 VanDerWaalsContact CG1-CD2 3.44Å; V523-L525 HydrophobicContact CG1-CG 3.86Å; L525-I527 HydrophobicContact CB-CD1 4.05Å; L525-I527 HydrophobicContact CB-CG1 4.1Å; L525-I527 HydrophobicContact CD1-CD1 3.99Å; L525-L666 HydrophobicContact CD1-CD2 4.21Å; L525-L666 HydrophobicContact CD1-CG 3.96Å; L525-L666 HydrophobicContact CD2-CD2 4.48Å; L525-A670 HydrophobicContact CD1-CB 3.7Å; L525-I675 HydrophobicContact CG-CG2 4.39Å; L525-P676 PolarHBondContact N-O 3.12Å; L525-V677 HydrophobicContact CB-CG2 4.41Å; L525-V677 HydrophobicContact CD1-CG2 4.26Å; L525-V677 WeakPolarHBondContact O-CA 2.98Å; L525-A678 PolarHBondContact O-N 3.39Å
526F97Very high84.2Confident3 Ų341 Ų411%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-106.3114.5160.8165.7-126000108.1L441 Y498 I499 I500 D501 Q528 A678 Y679 I681 A684L441-F526 HydrophobicContact CD1-CE1 4.48Å; Y498-F526 PolarHBondContact O-N 3.34Å; I499-F526 HydrophobicContact CB-CD1 4.1Å; I499-F526 HydrophobicContact CG1-CD1 4.18Å; I499-F526 HydrophobicContact CG2-CD1 3.56Å; I499-F526 HydrophobicContact CG2-CE1 3.86Å; I500-F526 PolarHBondContact N-O 2.58Å; D501-F526 HydrophobicContact CB-CE1 4.25Å; F526-Q528 HydrophobicContact CE2-CG 3.67Å; F526-Q528 HydrophobicContact CZ-CG 3.67Å; F526-A678 WeakPolarHBondContact CA-O 3.49Å; F526-Y679 WeakPolarHBondContact CE2-O 3.21Å; F526-I681 HydrophobicContact CB-CD1 4.5Å; F526-I681 HydrophobicContact CD1-CB 4.47Å; F526-I681 HydrophobicContact CD1-CD1 3.86Å; F526-I681 HydrophobicContact CE1-CB 4.28Å; F526-I681 HydrophobicContact CE1-CD1 4.35Å; F526-I681 HydrophobicContact CG-CD1 4.21Å; F526-I681 HydrophobicContact CZ-CB 4.31Å; F526-A684 HydrophobicContact CB-CB 3.88Å
527I95.8Very high81Confident0 Ų051.1 Ų51.10%027%0.268CS..EExtended strand (participates in β ladder)trans-130.2126.4-175.1-58.4-180000110.5I500 L525 M529 R663 L666 I667 A678 Y679I500-I527 HydrophobicContact CB-CG1 4.22Å; I500-I527 HydrophobicContact CD1-CD1 4.14Å; I500-I527 HydrophobicContact CD1-CG1 3.89Å; I500-I527 HydrophobicContact CG2-CG2 4.44Å; I500-I527 CarbonylContact O-C 3.45Å; I500-I527 WeakPolarHBondContact O-CA 3.27Å; L525-I527 HydrophobicContact CB-CD1 4.05Å; L525-I527 HydrophobicContact CB-CG1 4.1Å; L525-I527 HydrophobicContact CD1-CD1 3.99Å; I527-M529 HydrophobicContact CG2-CE 4.33Å; I527-R663 HydrophobicContact CG2-CB 4.06Å; I527-R663 HydrophobicContact CG2-CG 4.15Å; I527-L666 HydrophobicContact CD1-CB 4.46Å; I527-L666 HydrophobicContact CD1-CD2 3.96Å; I527-L666 HydrophobicContact CD1-CG 4.27Å; I527-I667 HydrophobicContact CB-CD1 4.49Å; I527-I667 HydrophobicContact CD1-CD1 4.49Å; I527-I667 HydrophobicContact CD1-CG1 3.77Å; I527-I667 HydrophobicContact CG2-CD1 4.17Å; I527-A678 PolarHBondContact N-O 3.39Å; I527-Y679 WeakPolarHBondContact O-CD1 3.2Å
528Q92.9Very high77.8Confident33 Ų3356.2 Ų56.215%0.15430%0.299CS..  trans-114.2140.5169.1-65.1-177.2-37.600111I500 N502 F526 R663I500-Q528 PolarHBondContact O-N 2.79Å; N502-Q528 HydrophobicContact CB-CB 4.07Å; F526-Q528 HydrophobicContact CE2-CG 3.67Å; F526-Q528 HydrophobicContact CZ-CG 3.67Å; Q528-R663 VanDerWaalsContact O-CD 3.29Å; Q528-R663 WeakPolarHBondContact O-CD 3.23Å; Q528-R663 PolarHBondContact O-NE 2.71Å
529M91Very high74.5Confident50 Ų5063.3 Ų63.325%0.24634%0.336CS..PPolyproline II helixtrans-83.3152.9173.7-61.7-61.316600110.9N502 I527 N660 R663 M664 I667N502-M529 VanDerWaalsContact CB-O 3.32Å; N502-M529 WeakPolarHBondContact CB-O 3.28Å; N502-M529 PolarHBondContact ND2-O 3.34Å; I527-M529 HydrophobicContact CG2-CE 4.33Å; M529-N660 HydrophobicContact SD-CB 4.22Å; M529-R663 HydrophobicContact CE-CB 3.83Å; M529-R663 HydrophobicContact SD-CB 3.7Å; M529-R663 HydrophobicContact SD-CG 4.45Å; M529-M664 HydrophobicContact CE-CG 3.95Å; M529-M664 HydrophobicContact CE-SD 3.35Å; M529-M664 WeakPolarHBondContact CE-SD 3.28Å; M529-M664 HydrophobicContact SD-SD 4.44Å; M529-I667 HydrophobicContact CE-CD1 3.31Å
530F87.1Confident71.4Confident6 Ų666 Ų663%0.02636%0.356CS..PPolyproline II helixtrans-73.4133.7165.5-69.4-59.5000110.2N502 S504 F505 M648 I656 Y659 N660 R663N502-F530 HydrophobicContact CB-CD1 3.95Å; N502-F530 HydrophobicContact CB-CE1 4.34Å; N502-F530 WeakPolarHBondContact O-CE1 3.47Å; S504-F530 VanDerWaalsContact O-CZ 3.25Å; S504-F530 WeakPolarHBondContact O-CZ 3.41Å; F505-F530 HydrophobicContact CD1-CE2 4.46Å; F505-F530 HydrophobicContact CD1-CZ 4.25Å; F530-M648 HydrophobicContact CD1-CE 3.14Å; F530-M648 HydrophobicContact CD1-SD 4.09Å; F530-M648 HydrophobicContact CE1-CE 3.28Å; F530-M648 HydrophobicContact CE1-SD 3.58Å; F530-M648 VanDerWaalsContact CE1-SD 3.58Å; F530-M648 HydrophobicContact CG-CE 4.02Å; F530-M648 HydrophobicContact CZ-CE 4.25Å; F530-M648 HydrophobicContact CZ-SD 4.15Å; F530-I656 HydrophobicContact CB-CG2 3.96Å; F530-Y659 HydrophobicContact CD2-CG 4.44Å; F530-Y659 HydrophobicContact CE2-CD1 4.49Å; F530-Y659 HydrophobicContact CE2-CD2 4.33Å; F530-Y659 AromaticContact CE2-CG 3.9Å; F530-Y659 HydrophobicContact CE2-CG 3.9Å; F530-N660 WeakPolarHBondContact CB-OD1 3.5Å; F530-N660 PolarHBondContact N-OD1 3.29Å; F530-N660 PolarHBondContact O-ND2 3.46Å; F530-R663 VanDerWaalsContact CE2-CZ 3.48Å; F530-R663 VanDerWaalsContact CE2-NH1 3.34Å
531N82.6Confident68.2Low79 Ų7963.7 Ų63.742%0.42236%0.356SS..PPolyproline II helixtrans-73.3137.5176.5-64.4-8.4000110.1
532S65.3Low64.8Low28 Ų2869 Ų6920%0.19639%0.385CS..PPolyproline II helixtrans-71.5135.7170.5-177.90000109.7N534 E535 Q653S532-N534 PolarHBondContact O-N 3.39Å; S532-E535 PolarHBondContact O-N 2.98Å; S532-Q653 PolarHBondContact OG-OE1 2.73Å
533P57.2Low61.5Low61 Ų6174.3 Ų74.340%0.39641%0.408SS..THydrogen-bonded Turntrans-52.4-23.8173.5-29.632.5000114.8I656P533-I656 HydrophobicContact CG-CD1 4.04Å
534N46.9Very low58Low109 Ų10979.5 Ų79.558%0.58344%0.444SS*.THydrogen-bonded Turntrans-79.1-29.6179-69.2-13.7000112.9S532 A536 R537S532-N534 PolarHBondContact O-N 3.39Å; N534-A536 VanDerWaalsContact C-N 3.32Å; N534-R537 PolarHBondContact O-N 2.95Å
535E44Very low54.5Low129 Ų12987.8 Ų87.860%0.60349%0.487SS*.Hα-helixtrans-71.8-28.9178-71.3172167.600111.9S532 R537S532-E535 PolarHBondContact O-N 2.98Å; E535-R537 PolarHBondContact O-N 3.39Å
536A43.3Very low51Low69 Ų6996.7 Ų96.757%0.5753%0.529SS*.Hα-helixtrans-69.5-13.1175.700000113.9N534N534-A536 VanDerWaalsContact C-N 3.32Å
537R30.5Very low47.6Very low212 Ų212106.7 Ų106.780%0.857%0.572SS**Hα-helixtrans-108.1-19-177.1-72.2-172.7178.8179.90.8115N534 E535N534-R537 PolarHBondContact O-N 2.95Å; E535-R537 PolarHBondContact O-N 3.39Å
538V29.6Very low44.2Very low109 Ų109116.9 Ų116.966%0.66161%0.612SS**Hα-helixtrans-92.5-15.1-171.1178.10000113.9S540V538-S540 PolarHBondContact O-N 2.89Å
539N26.8Very low40.9Very low151 Ų151124 Ų12481%0.80765%0.645SS**  trans-101.652.8-177.4-69.9-2.3000113.9
540S28.9Very low37.9Very low105 Ų105125.6 Ų125.673%0.73466%0.66SS**SBendtrans-122.440.3165.761.10000112.4V538V538-S540 PolarHBondContact O-N 2.89Å
541S27.1Very low35.1Very low94 Ų94131.2 Ų131.266%0.65769%0.69SS**SBendtrans-174.3121.9153.59.30000107.4
542D24.8Very low32.7Very low149 Ų149128.9 Ų128.980%0.79768%0.68SS**  trans69.6105.3165-50-31.8000117.7
543I26.6Very low30.8Very low171 Ų171130.5 Ų130.588%0.87769%0.686SS**  177135.4123.5-83.4150.8000109.5
544S24.1Very low29.4Very low111 Ų111133.3 Ų133.378%0.77669%0.694SS**  trans-57.8139.3-175.4-48.20000114.7E546S544-E546 PolarHBondContact O-N 3.22Å
545L25.6Very low28.3Very low175 Ų175136 Ų13692%0.91670%0.703SS**  trans-60.5106.2176.2-76.987.1000112.4
546E24.8Very low27.4Very low186 Ų186136.2 Ų136.287%0.86971%0.708SS**SBendtrans-134.7104.2150.5-76.3-167.6163.800110.1S544S544-E546 PolarHBondContact O-N 3.22Å
547K25.2Very low26.6Very low213 Ų213137.8 Ų137.893%0.92671%0.705SS**SBendtrans6345.5161.3-63-175.8178.6177.80118.7
548Y22.9Very low26.3Very low215 Ų215137 Ų13784%0.84370%0.704SS**  trans-126.6106.6152.4-128.5-99.7000107.5P550Y548-P550 VanDerWaalsContact C-CD 3.44Å; Y548-P550 WeakPolarHBondContact O-CD 3.26Å
549E25.4Very low26.2Very low181 Ų181138.8 Ų138.885%0.84671%0.71SS**  trans-101.693.2164.8-86.4-167.4163.800108.6N551E549-N551 PolarHBondContact O-N 2.82Å
550P27.5Very low26.3Very low84 Ų84139.2 Ų139.255%0.54571%0.712SS.*  trans-84.7101.5167.332.6-28.6000108.6Y548 S552Y548-P550 VanDerWaalsContact C-CD 3.44Å; Y548-P550 WeakPolarHBondContact O-CD 3.26Å; P550-S552 PolarHBondContact O-N 2.97Å
551N27.4Very low26.1Very low124 Ų124138.5 Ų138.566%0.66371%0.707SS**  trans-74.564.9158.2-77.2-25.9000109.2E549E549-N551 PolarHBondContact O-N 2.82Å
552S32.7Very low25.9Very low30 Ų30144.1 Ų144.121%0.2172%0.719CS.*  trans-87.2140.9163.870.60000109.5P550 Q554P550-S552 PolarHBondContact O-N 2.97Å; S552-Q554 PolarHBondContact O-N 3.17Å; S552-Q554 PolarHBondContact OG-OE1 3.37Å
553L26.3Very low25.9Very low63 Ų63139.8 Ų139.833%0.3371%0.71SS.*THydrogen-bonded Turntrans-34.711.1177-92.7145.6000120.8F437 I557F437-L553 HydrophobicContact CD2-CD1 4.33Å; F437-L553 HydrophobicContact CD2-CD2 3.96Å; F437-L553 HydrophobicContact CD2-CG 4.43Å; F437-L553 HydrophobicContact CE2-CD1 4.1Å; F437-L553 HydrophobicContact CE2-CD2 3.98Å; F437-L553 HydrophobicContact CE2-CG 4.05Å; F437-L553 HydrophobicContact CZ-CD1 4.32Å; L553-I557 HydrophobicContact CD2-CD1 4.45Å
554Q26.4Very low25.8Very low119 Ų119140.9 Ų140.956%0.55671%0.712SS**THydrogen-bonded Turntrans-83.3-22.9178.1-78.3150.6-14.200114.1S552S552-Q554 PolarHBondContact O-N 3.17Å; S552-Q554 PolarHBondContact OG-OE1 3.37Å
555Q25.5Very low25.6Very low165 Ų165144.1 Ų144.177%0.77171%0.714SS**THydrogen-bonded Turntrans-86.2-28175.7-81.1-174.2-11.200114.1I557Q555-I557 VanDerWaalsContact C-N 3.3Å; Q555-I557 PolarHBondContact O-N 2.84Å
556L24.8Very low25.4Very low135 Ų135145.4 Ų145.471%0.70771%0.713SS**THydrogen-bonded Turntrans-76.6-18.8179.3-14586000113.2
557I25.7Very low25.5Very low102 Ų102141.4 Ų141.452%0.52370%0.703SS.*SBendtrans-94-13.8179.4-62.4176.6000111.7L553 Q555 D559L553-I557 HydrophobicContact CD2-CD1 4.45Å; Q555-I557 VanDerWaalsContact C-N 3.3Å; Q555-I557 PolarHBondContact O-N 2.84Å; I557-D559 PolarHBondContact O-N 3.45Å
558Y24.9Very low25.2Very low194 Ų194138.9 Ų138.976%0.76170%0.698SS**THydrogen-bonded Turntrans-81-8.8-176.2-124-83.7000115.2
559D27.4Very low25Very low147 Ų147135.1 Ų135.179%0.78669%0.693SS**THydrogen-bonded Turntrans-104.9-0.9-178.9-86.5-23.8000116.2I557I557-D559 PolarHBondContact O-N 3.45Å
560D27.6Very low24.8Very low161 Ų161133.2 Ų133.286%0.86169%0.688SS**SBendtrans-112.219.1177.7-131.813.9000114.8
561S26Very low24.4Very low89 Ų89138.5 Ų138.562%0.62270%0.703SS**  trans-128.344.5169.8480000113.1G563S561-G563 PolarHBondContact O-N 2.81Å; S561-G563 VanDerWaalsContact O-N 3.07Å
562K23.3Very low24Very low212 Ų212138.6 Ų138.692%0.92271%0.708SS**  trans-71.782144-81.7-170.7179.5174.70108.5
563G24.9Very low23.3Very low59 Ų59143.1 Ų143.161%0.60873%0.73SS**  trans-168.9104.1176.300000111.4S561S561-G563 PolarHBondContact O-N 2.81Å; S561-G563 VanDerWaalsContact O-N 3.07Å
564Q24.5Very low23.1Very low193 Ų193148.3 Ų148.390%0.90276%0.756SS**  trans84.786.4168.5-55.3-177.8-300116.2
565Q18.9Very low22.6Very low179 Ų179148.7 Ų148.784%0.83676%0.762SS**  trans-36.6130.2142.1-64.4166.1-29.800111.6
566F21.3Very low22.3Very low203 Ų203148.4 Ų148.489%0.8976%0.762SS**  trans-152.2127130.2-96.7-74.4000109.2
567P26.4Very low22Very low101 Ų101152 Ų15266%0.65677%0.772SS**  trans-87.1160.6178.135.8-31000110.2
568I20Very low21.7Very low160 Ų160156 Ų15682%0.82179%0.786SS**  175.2124.6122.2-86.1152.3000108.7
569N18.6Very low21.5Very low137 Ų137151.5 Ų151.573%0.73378%0.783SS**  trans-44.6145.4164.3-66.2-36.3000113.2
570N21.1Very low21.1Very low140 Ų140150 Ų15075%0.74978%0.779SS**  158.6106.8129.2-79.5-18000107.6
571F18.5Very low20.7Very low196 Ų196149.2 Ų149.286%0.8678%0.775SS**  58.2139.492-89.9-80.6000114.5
572V19.3Very low20.5Very low125 Ų125150.2 Ų150.276%0.75878%0.782SS**  trans100.280.7162.3-162.30000116.4
573N18.1Very low20.4Very low126 Ų126145.3 Ų145.367%0.67477%0.774SS**  42103.4104.1-150.46.5000117.2
574I21.1Very low20.2Very low172 Ų172146 Ų14688%0.88278%0.781SS**  trans-126.3101.9152.3-61.8-179.4000108.1
575N17.8Very low20.1Very low127 Ų127143.3 Ų143.368%0.67978%0.778SS**  trans-65.7145.5169.8-103.4-32.1000112.1
576M17.4Very low20Very low158 Ų158142.4 Ų142.478%0.77878%0.778SS**  trans8.3127.8148.8-72.6-166154.100118.9
577K19.8Very low20.1Very low210 Ų210136.9 Ų136.991%0.91376%0.764SS**  trans-139.3121.5131.4-85.9-168.7178.2173.60112.1
578K18.1Very low19.8Very low187 Ų187138.1 Ų138.181%0.81377%0.766SS**  trans-69.8142.3154.4-66.9171.4173.4177.50109.1
579S20.9Very low19.9Very low99 Ų99140.4 Ų140.469%0.69277%0.77SS**  trans-170.3100151.757.20000107.5
580T19.9Very low20Very low116 Ų116140.3 Ų140.371%0.71277%0.774SS**  83.9113.289.353.80000114.2
581N19.4Very low20.1Very low145 Ų145137.3 Ų137.378%0.77578%0.777SS**  73.8142.6124.9-67.9-5.1000121.8
582S21.1Very low20.1Very low109 Ų109134 Ų13476%0.76277%0.772SS**  trans72.8143.2147.257.50000117.1
583S21Very low20.3Very low110 Ų110134.7 Ų134.777%0.76977%0.772SS**  cis164.9145.1-19.247.50000104.2
584G21Very low20.4Very low73 Ų73133.4 Ų133.475%0.75377%0.773SS**  trans91.7148168.100000112.7
585V21.7Very low20.4Very low137 Ų137130.5 Ų130.583%0.8377%0.768SS**  cis-162.9116.421.7163.60000104.2
586L18.4Very low20.6Very low160 Ų160131.6 Ų131.684%0.83877%0.773SS**  27.4111.2108.6-103.1153.1000115.4
587S21.8Very low20.8Very low86 Ų86129.8 Ų129.860%0.60178%0.776SS**  158.5148.6106.877.30000113.2
588D20.2Very low20.9Very low128 Ų128126.3 Ų126.368%0.68477%0.767SS**  trans68.5112.7149-49.3-32.8000119.4
589F23.3Very low21.1Very low207 Ų207125.7 Ų125.791%0.90877%0.767SS**  -160.8112.4108.4-105.7-78000110.3
590T20.5Very low21.3Very low135 Ų135128.6 Ų128.683%0.82877%0.77SS**  trans-66.9148.8165.548.20000111.5
591G22.6Very low21.2Very low78 Ų78131.7 Ų131.780%0.80478%0.781SS**  trans-17675.9171.300000113.6
592T18.5Very low21.3Very low125 Ų125129.6 Ų129.677%0.76778%0.778SS**  trans-62143.6166.243.10000113.1
593N22.8Very low21.2Very low140 Ų140131.9 Ų131.975%0.74978%0.78SS**  trans164.1116.5131.9-84.7-17.8000108.7
594S21.3Very low21.2Very low99 Ų99135.7 Ų135.769%0.69278%0.783SS**  49.8122.391.171.10000111.1
595S21.3Very low21.1Very low111 Ų111137 Ų13778%0.77678%0.781SS**  cis-171.7153.246.644.70000110.4
596L20.7Very low21.1Very low150 Ų150137.1 Ų137.179%0.78578%0.776SS**  trans-29.9141.7159.1-73.9105.2000116
597S23.1Very low21.3Very low120 Ų120135.4 Ų135.484%0.83978%0.778SS**  -139.1108.3129.152.60000109.9
598N20.6Very low21.3Very low137 Ų137137.6 Ų137.673%0.73378%0.782SS**  trans-69.3125.4154.3-83.5-39.8000106.9
599E22.7Very low21.4Very low174 Ų174140.3 Ų140.381%0.81379%0.791SS**  trans-166.1137.9143.3-114167.1-152.700112.3
600Q24.7Very low21.5Very low161 Ų161139.7 Ų139.775%0.75278%0.784SS**  trans87.764.6161.2-57.7175.714.300117.9S602Q600-S602 PolarHBondContact O-N 3.1Å; Q600-S602 VanDerWaalsContact O-N 3.11Å
601L19.6Very low21.6Very low180 Ų180135.7 Ų135.794%0.94277%0.769SS**  -48.2101.6128.5-77.2159.1000109.7
602S19.9Very low21.7Very low102 Ų102136.1 Ų136.171%0.71375%0.752SS**  trans-127.2113156.672.90000109.8Q600 K604Q600-S602 PolarHBondContact O-N 3.1Å; Q600-S602 VanDerWaalsContact O-N 3.11Å; S602-K604 PolarHBondContact O-N 2.84Å
603I20.4Very low21.8Very low156 Ų156135.6 Ų135.680%0.875%0.749SS**  trans-66.8111171.5-62.1166000106.5
604K19.9Very low21.9Very low190 Ų190134.2 Ų134.283%0.82674%0.74SS**  trans-130.598.6154.3-100.3-177.5178.8176.40109.1S602 N606S602-K604 PolarHBondContact O-N 2.84Å; K604-N606 PolarHBondContact O-N 2.81Å; K604-N606 VanDerWaalsContact O-N 3.15Å
605S19Very low22Very low102 Ų102135.9 Ų135.971%0.71374%0.741SS**  trans-40.8110.9151.30.90000109.3
606N22.1Very low22.1Very low138 Ų138135.3 Ų135.374%0.73874%0.737SS**  trans-150.1123.2148.8-93.9-20.8000107.7K604 L608K604-N606 PolarHBondContact O-N 2.81Å; K604-N606 VanDerWaalsContact O-N 3.15Å; N606-L608 VanDerWaalsContact C-N 3.32Å; N606-L608 HydrophobicContact CB-CD1 4.47Å; N606-L608 PolarHBondContact O-N 3.19Å
607S21.6Very low22.1Very low125 Ų125135.6 Ų135.687%0.87473%0.734SS**  trans-47.391.8164.11700000110
608L22.4Very low22.1Very low132 Ų132138.6 Ų138.669%0.69174%0.735SS**  trans-96.1115.6163.1-89.9107.5000107.9N606 Y610N606-L608 VanDerWaalsContact C-N 3.32Å; N606-L608 HydrophobicContact CB-CD1 4.47Å; N606-L608 PolarHBondContact O-N 3.19Å; L608-Y610 WeakPolarHBondContact O-CD2 3.41Å; L608-Y610 PolarHBondContact O-N 2.86Å
609E22Very low22.2Very low185 Ų185137.3 Ų137.386%0.86474%0.736SS**  trans-46.8107.2158.6-77174.8126.700108.6G611E609-G611 PolarHBondContact O-N 3.49Å
610Y25.7Very low22.2Very low193 Ų193134.2 Ų134.276%0.75773%0.729SS**  trans-73.466.7168.2-76.1-86.7000109.2L608L608-Y610 WeakPolarHBondContact O-CD2 3.41Å; L608-Y610 PolarHBondContact O-N 2.86Å
611G22.5Very low22Very low51 Ų51135.4 Ų135.453%0.52674%0.735SS.*  trans-93.6125.115600000107.3E609 V613E609-G611 PolarHBondContact O-N 3.49Å; G611-V613 PolarHBondContact O-N 2.98Å
612I24.6Very low22.3Very low87 Ų87134.4 Ų134.445%0.44673%0.725SS.*  trans-51.3103.9175.8-64.1165.1000109I614I612-I614 HydrophobicContact CG2-CG1 4.26Å; I612-I614 PolarHBondContact O-N 2.99Å
613V21.6Very low22.4Very low114 Ų114133.9 Ų133.969%0.69172%0.721SS**  trans-75.1113.4161.4179.90000105.4G611 D615G611-V613 PolarHBondContact O-N 2.98Å; V613-D615 VanDerWaalsContact C-N 3.34Å; V613-D615 PolarHBondContact O-N 2.98Å; V613-D615 VanDerWaalsContact O-N 3.15Å
614I24.9Very low22.5Very low112 Ų112133.3 Ų133.357%0.57473%0.725SS**  trans-74.299165.3-58.6172.9000104.1I612 S616I612-I614 HydrophobicContact CG2-CG1 4.26Å; I612-I614 PolarHBondContact O-N 2.99Å; I614-S616 VanDerWaalsContact C-N 3.31Å; I614-S616 PolarHBondContact O-N 2.96Å
615D21.9Very low22.7Very low133 Ų133131 Ų13171%0.71172%0.722SS**  trans-64.198.8168.2-93.2-30000108V613 H617V613-D615 VanDerWaalsContact C-N 3.34Å; V613-D615 PolarHBondContact O-N 2.98Å; V613-D615 VanDerWaalsContact O-N 3.15Å; D615-H617 PolarHBondContact O-N 2.98Å
616S24.2Very low22.9Very low99 Ų99131.3 Ų131.369%0.69272%0.724SS**  trans-73.853.7170.2-50.30000110.4I614I614-S616 VanDerWaalsContact C-N 3.31Å; I614-S616 PolarHBondContact O-N 2.96Å
617H20.5Very low22.9Very low156 Ų156134.1 Ų134.172%0.72273%0.73SS**  trans-149.170.2178.4-75.4-63.3000111.7D615D615-H617 PolarHBondContact O-N 2.98Å
618H24Very low22.9Very low183 Ų183136 Ų13685%0.84773%0.731SS**  trans-141.893.7149.9-87.7-59.6000110.2V620H618-V620 PolarHBondContact O-N 2.84Å; H618-V620 VanDerWaalsContact O-N 3.15Å
619S21.5Very low22.8Very low110 Ų110134.6 Ų134.677%0.76973%0.73SS**  trans-62.5100.7160.952.10000108.9Q621S619-Q621 PolarHBondContact O-N 3.02Å
620V24.2Very low22.9Very low109 Ų109131 Ų13166%0.66173%0.725SS**  trans-85.2104160.9-178.20000106.8H618 H622H618-V620 PolarHBondContact O-N 2.84Å; H618-V620 VanDerWaalsContact O-N 3.15Å; V620-H622 VanDerWaalsContact C-N 3.28Å; V620-H622 WeakPolarHBondContact CG1-CD2 3.21Å; V620-H622 PolarHBondContact O-N 3.13Å
621Q20Very low23Very low186 Ų186133.3 Ų133.387%0.86973%0.733SS**  trans-65.486.9168.2-72.8175.4-26.800108.9S619S619-Q621 PolarHBondContact O-N 3.02Å
622H25.3Very low23.2Very low159 Ų159138.1 Ų138.174%0.73675%0.747SS**  trans-94101.6157.8-85.9-62.2000108.8V620V620-H622 VanDerWaalsContact C-N 3.28Å; V620-H622 WeakPolarHBondContact CG1-CD2 3.21Å; V620-H622 PolarHBondContact O-N 3.13Å
623S22.3Very low23.1Very low91 Ų91138.3 Ų138.364%0.63675%0.748SS**  trans28.8103.1144.248.20000115.7D625S623-D625 VanDerWaalsContact C-N 3.31Å; S623-D625 PolarHBondContact O-N 2.9Å
624T22Very low23.4Very low144 Ų144139.3 Ų139.388%0.88375%0.75SS**  trans-53.786.6162.5480000111.3
625D24.3Very low23.6Very low141 Ų141143 Ų14375%0.75476%0.762SS**  trans-108114.5155.1-79.4-29.6000108.6S623 F627S623-D625 VanDerWaalsContact C-N 3.31Å; S623-D625 PolarHBondContact O-N 2.9Å; D625-F627 PolarHBondContact O-N 3.41Å; D625-F627 VanDerWaalsContact O-N 3.12Å
626S23.1Very low23.9Very low109 Ų109138.8 Ų138.876%0.76274%0.743SS**  trans-50.4102-176.740.20000114
627F23.4Very low24.1Very low198 Ų198137.2 Ų137.287%0.86873%0.729SS**  trans-116.283.3151.2-88.3-83.9000109.7D625 C629D625-F627 PolarHBondContact O-N 3.41Å; D625-F627 VanDerWaalsContact O-N 3.12Å; F627-C629 PolarHBondContact O-N 3.22Å; F627-C629 VanDerWaalsContact O-N 3.16Å
628N20.2Very low24.7Very low165 Ų165133.4 Ų133.488%0.88271%0.713SS**  trans-61.7105.5155.2-84.5-24.5000107.9
629C21.5Very low25.2Very low101 Ų101127.7 Ų127.768%0.68269%0.694SS**  trans-132.8108.1159.6-153.50000110.4F627 R631F627-C629 PolarHBondContact O-N 3.22Å; F627-C629 VanDerWaalsContact O-N 3.16Å; C629-R631 PolarHBondContact O-N 3.12Å
630S23.3Very low25.5Very low109 Ų109128.5 Ų128.576%0.76269%0.685SS**  trans-55.5119.7177.7-57.50000113.1D632S630-D632 VanDerWaalsContact C-N 3.34Å; S630-D632 PolarHBondContact O-N 3.38Å
631R26.9Very low25.9Very low243 Ų243127.5 Ų127.592%0.91768%0.676SS**SBendtrans37.61.9138-130.8175.1-175.4178.31.4124.7C629C629-R631 PolarHBondContact O-N 3.12Å
632D26.7Very low26.8Very low152 Ų152121.9 Ų121.981%0.81365%0.647SS**  trans-137.429.6-176.1-87.8-38.8000117.1S630S630-D632 VanDerWaalsContact C-N 3.34Å; S630-D632 PolarHBondContact O-N 3.38Å
633N24.1Very low27.2Very low90 Ų90117.9 Ų117.948%0.48163%0.631SS.*  trans-114.30.8179.3-85-32.3000117.7K635 S636 T637N633-K635 PolarHBondContact O-N 3.28Å; N633-K635 VanDerWaalsContact O-N 3.13Å; N633-S636 PolarHBondContact O-N 2.85Å; N633-S636 VanDerWaalsContact O-N 3.14Å; N633-S636 PolarHBondContact O-OG 3.3Å; N633-S636 VanDerWaalsContact O-OG 3.06Å; N633-S636 PolarHBondContact OD1-OG 3.2Å; N633-S636 VanDerWaalsContact OD1-OG 3.06Å; N633-T637 PolarHBondContact O-N 2.79Å; N633-T637 PolarHBondContact O-OG1 3.05Å; N633-T637 VanDerWaalsContact O-OG1 3.05Å
634N26.9Very low27.7Very low136 Ų136117.7 Ų117.773%0.72762%0.623SS**Hα-helixtrans-66.1-19.7-178.8-75.9-0.2000114.6I638N634-I638 WeakPolarHBondContact O-CD1 3.09Å; N634-I638 WeakPolarHBondContact O-CG1 3.44Å
635K29Very low28.5Very low189 Ų189118 Ų11882%0.82262%0.619SS**Hα-helixtrans-85.5-28.5173.6-78.5-177.5178.4176.40113.6N633N633-K635 PolarHBondContact O-N 3.28Å; N633-K635 VanDerWaalsContact O-N 3.13Å
636S28.5Very low29.2Very low44 Ų44116.7 Ų116.731%0.30861%0.611SS.*Hα-helixtrans-80.1-30.9-177.363.40000112.3N633 Q640N633-S636 PolarHBondContact O-N 2.85Å; N633-S636 VanDerWaalsContact O-N 3.14Å; N633-S636 PolarHBondContact O-OG 3.3Å; N633-S636 VanDerWaalsContact O-OG 3.06Å; N633-S636 PolarHBondContact OD1-OG 3.2Å; N633-S636 VanDerWaalsContact OD1-OG 3.06Å; S636-Q640 WeakPolarHBondContact O-CB 3.4Å; S636-Q640 VanDerWaalsContact O-CG 3.24Å; S636-Q640 WeakPolarHBondContact O-CG 3.48Å; S636-Q640 PolarHBondContact O-N 3.04Å
637T28.5Very low30.2Very low66 Ų66113.3 Ų113.341%0.40559%0.588SS.*Hα-helixtrans-70.4-34.2177.4-35.10000112.7N633 Q640 L641N633-T637 PolarHBondContact O-N 2.79Å; N633-T637 PolarHBondContact O-OG1 3.05Å; N633-T637 VanDerWaalsContact O-OG1 3.05Å; T637-Q640 PolarHBondContact O-N 2.95Å; T637-L641 HydrophobicContact CG2-CD1 4.4Å; T637-L641 VanDerWaalsContact O-CG 3.25Å; T637-L641 WeakPolarHBondContact O-CG 3.5Å; T637-L641 PolarHBondContact O-N 2.91Å
638I33.1Very low31.3Very low77 Ų77107.1 Ų107.140%0.39556%0.562SS.*Hα-helixtrans-68.9-44.1-179.3-64.6174.9000111.4N634 Q640 L641 Y642N634-I638 WeakPolarHBondContact O-CD1 3.09Å; N634-I638 WeakPolarHBondContact O-CG1 3.44Å; I638-Q640 VanDerWaalsContact C-N 3.34Å; I638-L641 PolarHBondContact O-N 2.8Å; I638-Y642 PolarHBondContact O-N 3.12Å
639S34.6Very low32.8Very low62 Ų62108.8 Ų108.843%0.43456%0.562SS.*Hα-helixtrans-62.6-43.1172.7-62.40000110.3L641 Y642 D643S639-L641 VanDerWaalsContact C-N 3.32Å; S639-L641 PolarHBondContact O-N 3.32Å; S639-Y642 PolarHBondContact O-N 2.88Å; S639-D643 WeakPolarHBondContact CB-OD2 3.5Å; S639-D643 WeakPolarHBondContact O-CA 3.4Å; S639-D643 WeakPolarHBondContact O-CB 3.23Å; S639-D643 VanDerWaalsContact O-CG 3.25Å; S639-D643 PolarHBondContact O-N 3.02Å
640Q27.4Very low34.8Very low127 Ų127107.6 Ų107.659%0.59355%0.554SS**Hα-helixtrans-65.7-27178.3-73172.4-5.500114.9S636 T637 I638S636-Q640 WeakPolarHBondContact O-CB 3.4Å; S636-Q640 VanDerWaalsContact O-CG 3.24Å; S636-Q640 WeakPolarHBondContact O-CG 3.48Å; S636-Q640 PolarHBondContact O-N 3.04Å; T637-Q640 PolarHBondContact O-N 2.95Å; I638-Q640 VanDerWaalsContact C-N 3.34Å
641L34Very low37.3Very low89 Ų89103.3 Ų103.347%0.46652%0.523SS..Hα-helixtrans-74.1-30.2177.4-75.9166.4000112.9L186 T637 I638 S639L186-L641 HydrophobicContact CD1-CD2 4.38Å; T637-L641 HydrophobicContact CG2-CD1 4.4Å; T637-L641 VanDerWaalsContact O-CG 3.25Å; T637-L641 WeakPolarHBondContact O-CG 3.5Å; T637-L641 PolarHBondContact O-N 2.91Å; I638-L641 PolarHBondContact O-N 2.8Å; S639-L641 VanDerWaalsContact C-N 3.32Å; S639-L641 PolarHBondContact O-N 3.32Å
642Y37.3Very low39.9Very low68 Ų6893.4 Ų93.427%0.26749%0.491SS..Hα-helixtrans-106.1-22.6178.1-76.6-81000114.4S433 G434 N435 I638 S639 N644S433-Y642 WeakPolarHBondContact O-CE2 3.29Å; G434-Y642 WeakPolarHBondContact O-CB 3.1Å; N435-Y642 HydrophobicContact CB-CD1 4.44Å; I638-Y642 PolarHBondContact O-N 3.12Å; S639-Y642 PolarHBondContact O-N 2.88Å; Y642-N644 PolarHBondContact O-N 3.4Å; Y642-N644 VanDerWaalsContact O-N 3.09Å
643D34.5Very low42.6Very low74 Ų7489.5 Ų89.540%0.39647%0.468SS..SBendtrans-72.90.4-177.2-85.6-36.2000114K436 S639K436-D643 WeakPolarHBondContact CE-OD1 3.38Å; K436-D643 IonicContact NZ-OD1 2.9Å; K436-D643 PolarHBondContact NZ-OD1 2.92Å; S639-D643 WeakPolarHBondContact CB-OD2 3.5Å; S639-D643 WeakPolarHBondContact O-CA 3.4Å; S639-D643 WeakPolarHBondContact O-CB 3.23Å; S639-D643 VanDerWaalsContact O-CG 3.25Å; S639-D643 PolarHBondContact O-N 3.02Å
644N33.5Very low45.4Very low87 Ų8788.2 Ų88.247%0.46546%0.459SS..  trans-121.2107.9176.1-79-37000109.6Y642 I646Y642-N644 PolarHBondContact O-N 3.4Å; Y642-N644 VanDerWaalsContact O-N 3.09Å; N644-I646 HydrophobicContact CB-CB 3.92Å; N644-I646 HydrophobicContact CB-CD1 3.75Å; N644-I646 HydrophobicContact CB-CG1 3.75Å; N644-I646 PolarHBondContact O-N 3.32Å
645N38.5Very low48.2Very low150 Ų15081.8 Ų81.880%0.80242%0.424SS*.G310 helixtrans-51.914.6155.5-77.9-32000113.9S647N645-S647 VanDerWaalsContact C-N 3.31Å
646I38.8Very low50.9Low114 Ų11473.2 Ų73.259%0.58539%0.388SS*.G310 helixtrans-73.8-18.3175.4-62.6176.1000111.2N644 M648N644-I646 HydrophobicContact CB-CB 3.92Å; N644-I646 HydrophobicContact CB-CD1 3.75Å; N644-I646 HydrophobicContact CB-CG1 3.75Å; N644-I646 PolarHBondContact O-N 3.32Å; I646-M648 PolarHBondContact O-N 3.49Å
647S42.6Very low53.7Low39 Ų3977.1 Ų77.127%0.27340%0.399SS..G310 helixtrans-71.8-21.3-175-168.20000116.3L186 N645 S650L186-S647 WeakPolarHBondContact CD2-OG 3.45Å; N645-S647 VanDerWaalsContact C-N 3.31Å; S647-S650 PolarHBondContact O-OG 3.34Å; S647-S650 VanDerWaalsContact O-OG 3.06Å
648M48.5Very low56.4Low68 Ų6875.4 Ų75.434%0.33539%0.387SS..SBendtrans-97.9-18.5-177.4-81.7-66.9-68.200113.7F530 I646 S650 L651F530-M648 HydrophobicContact CD1-CE 3.14Å; F530-M648 HydrophobicContact CD1-SD 4.09Å; F530-M648 HydrophobicContact CE1-CE 3.28Å; F530-M648 HydrophobicContact CE1-SD 3.58Å; F530-M648 VanDerWaalsContact CE1-SD 3.58Å; F530-M648 HydrophobicContact CG-CE 4.02Å; F530-M648 HydrophobicContact CZ-CE 4.25Å; F530-M648 HydrophobicContact CZ-SD 4.15Å; I646-M648 PolarHBondContact O-N 3.49Å; M648-S650 PolarHBondContact O-N 3.42Å; M648-L651 HydrophobicContact CE-CD1 4.06Å; M648-L651 HydrophobicContact SD-CD1 3.36Å; M648-L651 WeakPolarHBondContact SD-CD1 3.49Å; M648-L651 HydrophobicContact SD-CG 4.35Å
649K50.4Low59.2Low200 Ų20071.7 Ų71.787%0.8737%0.368SS*.THydrogen-bonded Turntrans-69.3-10.6172.8-77.4-175.5177.9177.40112.8
650S64.5Low61.8Low75 Ų7570.3 Ų70.352%0.52436%0.356SS..THydrogen-bonded Turntrans-107.8-4.4-17358.30000115.3S647 M648S647-S650 PolarHBondContact O-OG 3.34Å; S647-S650 VanDerWaalsContact O-OG 3.06Å; M648-S650 PolarHBondContact O-N 3.42Å
651L74.4Confident64.8Low19 Ų1971.6 Ų71.610%0.09936%0.355CS..  trans-72.8134.3177.8-72.1176.5000111.1F505 M648 A655 I656 Y659F505-L651 HydrophobicContact CE1-CD1 3.64Å; F505-L651 HydrophobicContact CE1-CD2 3.76Å; F505-L651 HydrophobicContact CE1-CG 4.25Å; F505-L651 HydrophobicContact CZ-CD1 4.24Å; F505-L651 HydrophobicContact CZ-CD2 3.84Å; F505-L651 HydrophobicContact CZ-CG 4.46Å; M648-L651 HydrophobicContact CE-CD1 4.06Å; M648-L651 HydrophobicContact SD-CD1 3.36Å; M648-L651 WeakPolarHBondContact SD-CD1 3.49Å; M648-L651 HydrophobicContact SD-CG 4.35Å; L651-A655 HydrophobicContact CB-CB 4.39Å; L651-A655 HydrophobicContact CD2-CB 4.01Å; L651-I656 HydrophobicContact CB-CG1 4.11Å; L651-Y659 HydrophobicContact CD2-CE2 4.46Å
652S82.7Confident67.5Low35 Ų3567.5 Ų67.525%0.24533%0.334CS..  trans-66.8158171.274.30000110.7E181 Q654 A655 I656E181-S652 VanDerWaalsContact OE2-CB 3.3Å; E181-S652 WeakPolarHBondContact OE2-CB 3.49Å; E181-S652 PolarHBondContact OE2-OG 3.18Å; S652-Q654 PolarHBondContact O-N 3.05Å; S652-Q654 PolarHBondContact OG-N 3.42Å; S652-A655 PolarHBondContact O-N 3.29Å; S652-A655 WeakPolarHBondContact OG-CB 3.14Å; S652-A655 PolarHBondContact OG-N 2.93Å; S652-I656 PolarHBondContact O-N 3.06Å; S652-I656 VanDerWaalsContact O-N 3.07Å
653Q83.2Confident70.3Confident71 Ų7164.3 Ų64.333%0.33232%0.321SS..Hα-helixtrans-59.1-32.7172.7-68.7-68.6-17.400111.7S532 K657S532-Q653 PolarHBondContact OG-OE1 2.73Å; Q653-K657 WeakPolarHBondContact O-CG 3.34Å; Q653-K657 PolarHBondContact O-N 2.79Å; Q653-K657 VanDerWaalsContact O-N 3.14Å
654Q83.1Confident73Confident63 Ų6364.7 Ų64.729%0.29432%0.322SS..Hα-helixtrans-70.5-41.4177.3-17255.443.500111.5E181 S652 I656 K657 D658E181-Q654 WeakPolarHBondContact OE1-CB 3.22Å; S652-Q654 PolarHBondContact O-N 3.05Å; S652-Q654 PolarHBondContact OG-N 3.42Å; Q654-I656 PolarHBondContact O-N 3.43Å; Q654-K657 WeakPolarHBondContact O-CB 3.46Å; Q654-K657 PolarHBondContact O-N 2.87Å; Q654-D658 PolarHBondContact NE2-OD1 3.16Å; Q654-D658 VanDerWaalsContact O-CG 3.27Å; Q654-D658 PolarHBondContact O-N 2.56Å
655A84.6Confident75.7Confident0 Ų062.6 Ų62.60%031%0.308CS..Hα-helixtrans-58.8-47.8174.200000111.3L651 S652 K657 D658 Y659L651-A655 HydrophobicContact CB-CB 4.39Å; L651-A655 HydrophobicContact CD2-CB 4.01Å; S652-A655 PolarHBondContact O-N 3.29Å; S652-A655 WeakPolarHBondContact OG-CB 3.14Å; S652-A655 PolarHBondContact OG-N 2.93Å; A655-K657 VanDerWaalsContact C-N 3.28Å; A655-K657 PolarHBondContact O-N 2.88Å; A655-D658 PolarHBondContact O-N 2.75Å; A655-D658 VanDerWaalsContact O-N 3.09Å; A655-Y659 HydrophobicContact CB-CD2 4.45Å; A655-Y659 HydrophobicContact CB-CE2 4.31Å; A655-Y659 WeakPolarHBondContact O-CD2 3.23Å; A655-Y659 PolarHBondContact O-N 2.62Å
656I87Confident78.4Confident10 Ų1055.5 Ų55.55%0.05127%0.27CS..Hα-helixtrans-55.8-44.9176.8-67.9173.6000110.9F530 P533 L651 S652 Q654 Y659 N660F530-I656 HydrophobicContact CB-CG2 3.96Å; P533-I656 HydrophobicContact CG-CD1 4.04Å; L651-I656 HydrophobicContact CB-CG1 4.11Å; S652-I656 PolarHBondContact O-N 3.06Å; S652-I656 VanDerWaalsContact O-N 3.07Å; Q654-I656 PolarHBondContact O-N 3.43Å; I656-Y659 PolarHBondContact O-N 3.29Å; I656-N660 WeakPolarHBondContact O-CB 3.41Å; I656-N660 PolarHBondContact O-N 2.83Å
657K85.8Confident81.1Confident126 Ų12650.1 Ų50.155%0.54824%0.242SC..Hα-helixtrans-61.9-43.5176-72.8174.1-177.2-178.90112.3Q653 Q654 A655 N660 R661Q653-K657 WeakPolarHBondContact O-CG 3.34Å; Q653-K657 PolarHBondContact O-N 2.79Å; Q653-K657 VanDerWaalsContact O-N 3.14Å; Q654-K657 WeakPolarHBondContact O-CB 3.46Å; Q654-K657 PolarHBondContact O-N 2.87Å; A655-K657 VanDerWaalsContact C-N 3.28Å; A655-K657 PolarHBondContact O-N 2.88Å; K657-N660 PolarHBondContact O-N 2.92Å; K657-R661 VanDerWaalsContact O-CB 3.25Å; K657-R661 WeakPolarHBondContact O-CB 3.39Å; K657-R661 PolarHBondContact O-N 3.3Å
658D86.9Confident83.3Confident29 Ų2951.1 Ų51.116%0.15525%0.245CC..Hα-helixtrans-64.3-42.8179.7-66.5-19.6000111.5R145 Q654 A655 R661 V662R145-D658 IonicContact NH1-OD2 3.01Å; R145-D658 PolarHBondContact NH1-OD2 3.33Å; Q654-D658 PolarHBondContact NE2-OD1 3.16Å; Q654-D658 VanDerWaalsContact O-CG 3.27Å; Q654-D658 PolarHBondContact O-N 2.56Å; A655-D658 PolarHBondContact O-N 2.75Å; A655-D658 VanDerWaalsContact O-N 3.09Å; D658-R661 PolarHBondContact O-N 3.17Å; D658-V662 PolarHBondContact O-N 3.15Å; D658-V662 VanDerWaalsContact O-N 3.12Å
659Y90.1Very high85.3Confident0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-70.5-35.4177.5-76.8-66.5000113.8L147 E187 F505 L507 F530 L651 A655 I656 R661 V662 R663L147-Y659 HydrophobicContact CD1-CD1 3.58Å; L147-Y659 HydrophobicContact CD1-CE1 3.57Å; L147-Y659 HydrophobicContact CD1-CG 4.22Å; E187-Y659 VanDerWaalsContact CG-OH 3.3Å; E187-Y659 WeakPolarHBondContact CG-OH 3.35Å; E187-Y659 WeakPolarHBondContact OE1-CE2 3.09Å; E187-Y659 PolarHBondContact OE1-OH 3.36Å; F505-Y659 HydrophobicContact CB-CD1 4.35Å; F505-Y659 HydrophobicContact CB-CE1 3.83Å; F505-Y659 AromaticContact CD1-CD1 3.85Å; F505-Y659 HydrophobicContact CD1-CD1 3.85Å; F505-Y659 AromaticContact CD1-CD2 3.92Å; F505-Y659 HydrophobicContact CD1-CD2 3.92Å; F505-Y659 AromaticContact CD1-CE1 3.38Å; F505-Y659 HydrophobicContact CD1-CE1 3.38Å; F505-Y659 AromaticContact CD1-CE2 3.51Å; F505-Y659 HydrophobicContact CD1-CE2 3.51Å; F505-Y659 HydrophobicContact CD1-CG 4.13Å; F505-Y659 AromaticContact CD1-CZ 3.24Å; F505-Y659 HydrophobicContact CE1-CD2 4.02Å; F505-Y659 HydrophobicContact CE1-CE1 4.16Å; F505-Y659 AromaticContact CE1-CE2 3.43Å; F505-Y659 HydrophobicContact CE1-CE2 3.43Å; F505-Y659 VanDerWaalsContact CE1-CE2 3.43Å; F505-Y659 AromaticContact CE1-CZ 3.54Å; F505-Y659 AromaticContact CG-CE1 3.83Å; F505-Y659 HydrophobicContact CG-CE1 3.83Å; F505-Y659 AromaticContact CG-CZ 3.91Å; F505-Y659 HydrophobicContact CZ-CE2 4.46Å; L507-Y659 HydrophobicContact CD1-CE1 4.35Å; L507-Y659 HydrophobicContact CD2-CD1 4.22Å; L507-Y659 HydrophobicContact CD2-CE1 3.82Å; L507-Y659 HydrophobicContact CG-CE1 4.27Å; F530-Y659 HydrophobicContact CD2-CG 4.44Å; F530-Y659 HydrophobicContact CE2-CD1 4.49Å; F530-Y659 HydrophobicContact CE2-CD2 4.33Å; F530-Y659 AromaticContact CE2-CG 3.9Å; F530-Y659 HydrophobicContact CE2-CG 3.9Å; L651-Y659 HydrophobicContact CD2-CE2 4.46Å; A655-Y659 HydrophobicContact CB-CD2 4.45Å; A655-Y659 HydrophobicContact CB-CE2 4.31Å; A655-Y659 WeakPolarHBondContact O-CD2 3.23Å; A655-Y659 PolarHBondContact O-N 2.62Å; I656-Y659 PolarHBondContact O-N 3.29Å; Y659-R661 VanDerWaalsContact C-N 3.35Å; Y659-V662 WeakPolarHBondContact O-CG1 3.32Å; Y659-R663 WeakPolarHBondContact O-CG 3.4Å; Y659-R663 PolarHBondContact O-N 3.46Å; Y659-R663 PolarHBondContact O-NH1 2.94Å; Y659-R663 VanDerWaalsContact O-NH1 3.14Å
660N91.1Very high87.3Confident32 Ų3238.8 Ų38.817%0.17119%0.189CC..Hα-helixtrans-71.1-34.1172.2-75.9-10.5000110.8M529 F530 I656 K657 R663 M664M529-N660 HydrophobicContact SD-CB 4.22Å; F530-N660 WeakPolarHBondContact CB-OD1 3.5Å; F530-N660 PolarHBondContact N-OD1 3.29Å; F530-N660 PolarHBondContact O-ND2 3.46Å; I656-N660 WeakPolarHBondContact O-CB 3.41Å; I656-N660 PolarHBondContact O-N 2.83Å; K657-N660 PolarHBondContact O-N 2.92Å; N660-R663 WeakPolarHBondContact O-CB 3.42Å; N660-R663 PolarHBondContact O-N 3.4Å; N660-M664 WeakPolarHBondContact O-CB 3.12Å; N660-M664 WeakPolarHBondContact O-CG 3.02Å; N660-M664 PolarHBondContact O-N 2.92Å
661R89.7Confident88.6Confident155 Ų15540.7 Ų40.759%0.58519%0.19SC*.Hα-helixtrans-63.8-41.6176.5-173.5178.9-88.9144.8-9.6112.3V148 K657 D658 Y659 M664 Y665V148-R661 HydrophobicContact CG2-CB 4.39Å; V148-R661 HydrophobicContact CG2-CG 3.76Å; K657-R661 VanDerWaalsContact O-CB 3.25Å; K657-R661 WeakPolarHBondContact O-CB 3.39Å; K657-R661 PolarHBondContact O-N 3.3Å; D658-R661 PolarHBondContact O-N 3.17Å; Y659-R661 VanDerWaalsContact C-N 3.35Å; R661-M664 PolarHBondContact O-N 3Å; R661-Y665 PolarHBondContact O-N 3.23Å
662V90.9Very high89.2Confident3 Ų344.3 Ų44.32%0.01821%0.206CC..Hα-helixtrans-68.2-3517564.40000112.4L147 V148 L151 L510 D658 Y659 Y665 L666L147-V662 HydrophobicContact CB-CB 3.91Å; L147-V662 HydrophobicContact CB-CG1 4.13Å; L147-V662 HydrophobicContact CB-CG2 4.14Å; L147-V662 HydrophobicContact CD1-CG1 4.12Å; V148-V662 HydrophobicContact CG2-CB 4.32Å; L151-V662 HydrophobicContact CB-CG2 3.97Å; L151-V662 HydrophobicContact CD2-CG2 3.51Å; L151-V662 HydrophobicContact CG-CG2 4.29Å; L510-V662 HydrophobicContact CD1-CG1 4.09Å; L510-V662 HydrophobicContact CD1-CG2 4.41Å; D658-V662 PolarHBondContact O-N 3.15Å; D658-V662 VanDerWaalsContact O-N 3.12Å; Y659-V662 WeakPolarHBondContact O-CG1 3.32Å; V662-Y665 PolarHBondContact O-N 2.95Å; V662-L666 PolarHBondContact O-N 3.44Å; V662-L666 VanDerWaalsContact O-N 3.16Å
663R94.6Very high89.5Confident0 Ų045.5 Ų45.50%021%0.21CC..Hα-helixtrans-63.4-46.3171.8-73.3167.9170.269.1-0.4111.4I500 D501 S504 I527 Q528 M529 F530 Y659 N660 Y665 L666 I667I500-R663 HydrophobicContact CG2-CG 4.31Å; D501-R663 PolarHBondContact O-NH2 3.25Å; S504-R663 PolarHBondContact O-NH2 3.04Å; I527-R663 HydrophobicContact CG2-CB 4.06Å; I527-R663 HydrophobicContact CG2-CG 4.15Å; Q528-R663 VanDerWaalsContact O-CD 3.29Å; Q528-R663 WeakPolarHBondContact O-CD 3.23Å; Q528-R663 PolarHBondContact O-NE 2.71Å; M529-R663 HydrophobicContact CE-CB 3.83Å; M529-R663 HydrophobicContact SD-CB 3.7Å; M529-R663 HydrophobicContact SD-CG 4.45Å; F530-R663 VanDerWaalsContact CE2-CZ 3.48Å; F530-R663 VanDerWaalsContact CE2-NH1 3.34Å; Y659-R663 WeakPolarHBondContact O-CG 3.4Å; Y659-R663 PolarHBondContact O-N 3.46Å; Y659-R663 PolarHBondContact O-NH1 2.94Å; Y659-R663 VanDerWaalsContact O-NH1 3.14Å; N660-R663 WeakPolarHBondContact O-CB 3.42Å; N660-R663 PolarHBondContact O-N 3.4Å; R663-Y665 PolarHBondContact O-N 2.99Å; R663-L666 PolarHBondContact O-N 2.83Å; R663-I667 WeakPolarHBondContact O-CG1 3.42Å; R663-I667 PolarHBondContact O-N 3Å
664M92.5Very high90Very high82 Ų8249.1 Ų49.140%0.40423%0.231SC..Hα-helixtrans-60.6-43.6176-74.9-55.9-5200111.8M529 N660 R661 L666 I667 D668M529-M664 HydrophobicContact CE-CG 3.95Å; M529-M664 HydrophobicContact CE-SD 3.35Å; M529-M664 WeakPolarHBondContact CE-SD 3.28Å; M529-M664 HydrophobicContact SD-SD 4.44Å; N660-M664 WeakPolarHBondContact O-CB 3.12Å; N660-M664 WeakPolarHBondContact O-CG 3.02Å; N660-M664 PolarHBondContact O-N 2.92Å; R661-M664 PolarHBondContact O-N 3Å; M664-L666 VanDerWaalsContact C-N 3.28Å; M664-L666 PolarHBondContact O-N 2.86Å; M664-I667 WeakPolarHBondContact O-CB 3.38Å; M664-I667 PolarHBondContact O-N 3.3Å; M664-I667 HydrophobicContact SD-CD1 4.23Å; M664-D668 VanDerWaalsContact O-CG 3.27Å; M664-D668 PolarHBondContact O-N 3.41Å
665Y90.9Very high90.6Very high44 Ų4447.3 Ų47.317%0.17322%0.223CC..Hα-helixtrans-56.5-42.3175178.3-86.6000112.2V148 L151 E152 R661 V662 R663 I667 D668 L669V148-Y665 HydrophobicContact CG1-CD2 3.64Å; V148-Y665 HydrophobicContact CG1-CE2 4.18Å; V148-Y665 HydrophobicContact CG1-CG 3.93Å; L151-Y665 HydrophobicContact CD2-CD1 3.72Å; L151-Y665 HydrophobicContact CD2-CE1 4.36Å; L151-Y665 HydrophobicContact CG-CD1 4.22Å; L151-Y665 HydrophobicContact CG-CE1 4.41Å; E152-Y665 HydrophobicContact CB-CE1 4.31Å; E152-Y665 HydrophobicContact CB-CE2 4.48Å; E152-Y665 WeakPolarHBondContact CB-OH 3.31Å; E152-Y665 WeakPolarHBondContact CG-OH 2.92Å; R661-Y665 PolarHBondContact O-N 3.23Å; V662-Y665 PolarHBondContact O-N 2.95Å; R663-Y665 PolarHBondContact O-N 2.99Å; Y665-I667 VanDerWaalsContact C-N 3.35Å; Y665-D668 PolarHBondContact O-N 2.89Å; Y665-L669 HydrophobicContact CE1-CD2 4.49Å; Y665-L669 WeakPolarHBondContact O-CB 3.46Å; Y665-L669 PolarHBondContact O-N 3.02Å
666L94.7Very high91.2Very high0 Ų048.6 Ų48.60%023%0.231CC..Hα-helixtrans-66.3-37.1177-17161.8000112.2L151 I500 L510 A513 A514 I517 L525 I527 V662 R663 M664 L669 A670L151-L666 HydrophobicContact CD2-CB 4.01Å; L151-L666 HydrophobicContact CD2-CD1 4.38Å; I500-L666 HydrophobicContact CD1-CD2 3.68Å; L510-L666 HydrophobicContact CD2-CD2 3.64Å; A513-L666 HydrophobicContact CB-CD2 3.98Å; A514-L666 HydrophobicContact CB-CD1 4.24Å; I517-L666 HydrophobicContact CD1-CD1 3.81Å; L525-L666 HydrophobicContact CD1-CD2 4.21Å; L525-L666 HydrophobicContact CD1-CG 3.96Å; L525-L666 HydrophobicContact CD2-CD2 4.48Å; I527-L666 HydrophobicContact CD1-CB 4.46Å; I527-L666 HydrophobicContact CD1-CD2 3.96Å; I527-L666 HydrophobicContact CD1-CG 4.27Å; V662-L666 PolarHBondContact O-N 3.44Å; V662-L666 VanDerWaalsContact O-N 3.16Å; R663-L666 PolarHBondContact O-N 2.83Å; M664-L666 VanDerWaalsContact C-N 3.28Å; M664-L666 PolarHBondContact O-N 2.86Å; L666-L669 HydrophobicContact CD1-CD2 4.48Å; L666-A670 WeakPolarHBondContact O-CB 3.46Å; L666-A670 PolarHBondContact O-N 3.15Å
667I94.1Very high91.6Very high2 Ų249.6 Ų49.61%0.0124%0.238CC..Hα-helixtrans-64.7-47.4175-67.5174000110.5I527 M529 R663 M664 Y665 L669 A670 Q671 V677 Y679I527-I667 HydrophobicContact CB-CD1 4.49Å; I527-I667 HydrophobicContact CD1-CD1 4.49Å; I527-I667 HydrophobicContact CD1-CG1 3.77Å; I527-I667 HydrophobicContact CG2-CD1 4.17Å; M529-I667 HydrophobicContact CE-CD1 3.31Å; R663-I667 WeakPolarHBondContact O-CG1 3.42Å; R663-I667 PolarHBondContact O-N 3Å; M664-I667 WeakPolarHBondContact O-CB 3.38Å; M664-I667 PolarHBondContact O-N 3.3Å; M664-I667 HydrophobicContact SD-CD1 4.23Å; Y665-I667 VanDerWaalsContact C-N 3.35Å; I667-L669 VanDerWaalsContact C-N 3.3Å; I667-L669 PolarHBondContact O-N 3.26Å; I667-A670 WeakPolarHBondContact O-CB 3.29Å; I667-A670 PolarHBondContact O-N 3.43Å; I667-A670 VanDerWaalsContact O-N 3.1Å; I667-Q671 HydrophobicContact CG2-CG 4.3Å; I667-Q671 WeakPolarHBondContact O-CG 3.46Å; I667-Q671 PolarHBondContact O-N 3Å; I667-V677 HydrophobicContact CG1-CG1 4.13Å; I667-Y679 HydrophobicContact CD1-CE1 4.08Å
668D89.6Confident92.1Very high60 Ų6043.7 Ų43.732%0.32121%0.213SC..Hα-helixtrans-59.9-44.3179.1-65.7-12.9000110.3M664 Y665 A670 Q671 E672M664-D668 VanDerWaalsContact O-CG 3.27Å; M664-D668 PolarHBondContact O-N 3.41Å; Y665-D668 PolarHBondContact O-N 2.89Å; D668-A670 VanDerWaalsContact C-N 3.33Å; D668-A670 PolarHBondContact O-N 3.42Å; D668-Q671 PolarHBondContact O-N 3Å; D668-E672 WeakPolarHBondContact O-CB 3.16Å; D668-E672 PolarHBondContact O-N 3.17Å
669L90.7Very high92.4Very high9 Ų948.4 Ų48.45%0.04723%0.229CC..Hα-helixtrans-61.1-40.4174.7-179.563.8000112.3Y155 I517 Y665 L666 I667 L673Y155-L669 HydrophobicContact CD1-CD1 4.34Å; Y155-L669 HydrophobicContact CD1-CD2 4.44Å; Y155-L669 HydrophobicContact CD2-CD1 4.32Å; Y155-L669 HydrophobicContact CD2-CD2 3.69Å; Y155-L669 HydrophobicContact CE1-CD1 3.88Å; Y155-L669 HydrophobicContact CE2-CD1 3.88Å; Y155-L669 HydrophobicContact CE2-CD2 4.01Å; Y155-L669 HydrophobicContact CE2-CG 4.41Å; Y155-L669 HydrophobicContact CG-CD2 3.91Å; I517-L669 HydrophobicContact CG2-CD2 4.06Å; I517-L669 HydrophobicContact CG2-CG 4.16Å; Y665-L669 HydrophobicContact CE1-CD2 4.49Å; Y665-L669 WeakPolarHBondContact O-CB 3.46Å; Y665-L669 PolarHBondContact O-N 3.02Å; L666-L669 HydrophobicContact CD1-CD2 4.48Å; I667-L669 VanDerWaalsContact C-N 3.3Å; I667-L669 PolarHBondContact O-N 3.26Å; L669-L673 HydrophobicContact CD1-CD1 4.12Å; L669-L673 HydrophobicContact CG-CD1 4.48Å; L669-L673 PolarHBondContact O-N 3.23Å
670A92.9Very high92.6Very high0 Ų051.2 Ų51.20%024%0.244CC..Hα-helixtrans-67.8-44.1178.200000111.9L525 L666 I667 D668 E672 L673 N674 I675 V677L525-A670 HydrophobicContact CD1-CB 3.7Å; L666-A670 WeakPolarHBondContact O-CB 3.46Å; L666-A670 PolarHBondContact O-N 3.15Å; I667-A670 WeakPolarHBondContact O-CB 3.29Å; I667-A670 PolarHBondContact O-N 3.43Å; I667-A670 VanDerWaalsContact O-N 3.1Å; D668-A670 VanDerWaalsContact C-N 3.33Å; D668-A670 PolarHBondContact O-N 3.42Å; A670-E672 PolarHBondContact O-N 3.4Å; A670-L673 CarbonylContact O-C 3.55Å; A670-L673 PolarHBondContact O-N 2.93Å; A670-N674 PolarHBondContact O-N 2.93Å; A670-I675 HydrophobicContact CB-CB 3.88Å; A670-I675 HydrophobicContact CB-CG2 4.08Å; A670-I675 PolarHBondContact O-N 3.02Å; A670-V677 HydrophobicContact CB-CG2 3.55Å
671Q90.4Very high92.6Very high114 Ų11450.4 Ų50.453%0.53324%0.24SC..Hα-helixtrans-61.6-43.2177-71.9176.9-4.300111.5I667 D668 L673 N674I667-Q671 HydrophobicContact CG2-CG 4.3Å; I667-Q671 WeakPolarHBondContact O-CG 3.46Å; I667-Q671 PolarHBondContact O-N 3Å; D668-Q671 PolarHBondContact O-N 3Å; Q671-L673 PolarHBondContact O-N 3.09Å; Q671-N674 PolarHBondContact O-N 3.24Å; Q671-N674 VanDerWaalsContact O-N 3.17Å
672E86.9Confident92.8Very high96 Ų9648.1 Ų48.145%0.44924%0.236SC..Hα-helixtrans-56.5-39.6176.1-175.1178.8150.200112R126 D668 A670R126-E672 IonicContact CZ-OE2 2.66Å; R126-E672 IonicContact NE-OE1 2.76Å; R126-E672 PolarHBondContact NE-OE1 3.11Å; R126-E672 IonicContact NE-OE2 3.95Å; R126-E672 PolarHBondContact NE-OE2 3.16Å; R126-E672 IonicContact NH2-OE2 2.69Å; R126-E672 PolarHBondContact NH2-OE2 3.36Å; D668-E672 WeakPolarHBondContact O-CB 3.16Å; D668-E672 PolarHBondContact O-N 3.17Å; A670-E672 PolarHBondContact O-N 3.4Å
673L90.6Very high93.1Very high60 Ų6050.8 Ų50.831%0.31425%0.252SS..THydrogen-bonded Turntrans-96.211.2-177.4-62.1175.3000113.8Y155 I517 L669 A670 Q671 I675Y155-L673 HydrophobicContact CE2-CD1 4.27Å; I517-L673 HydrophobicContact CG2-CD1 3.47Å; I517-L673 VanDerWaalsContact CG2-CD1 3.47Å; L669-L673 HydrophobicContact CD1-CD1 4.12Å; L669-L673 HydrophobicContact CG-CD1 4.48Å; L669-L673 PolarHBondContact O-N 3.23Å; A670-L673 CarbonylContact O-C 3.55Å; A670-L673 PolarHBondContact O-N 2.93Å; Q671-L673 PolarHBondContact O-N 3.09Å; L673-I675 HydrophobicContact CB-CD1 3.83Å; L673-I675 HydrophobicContact CB-CG1 4.14Å; L673-I675 HydrophobicContact CD1-CD1 4.3Å; L673-I675 PolarHBondContact O-N 3.36Å
674N93.8Very high93.1Very high146 Ų14650.8 Ų50.878%0.78125%0.252SS*.THydrogen-bonded Turntrans54.536.2-177.1-61.6-72000114A670 Q671A670-N674 PolarHBondContact O-N 2.93Å; Q671-N674 PolarHBondContact O-N 3.24Å; Q671-N674 VanDerWaalsContact O-N 3.17Å
675I94.9Very high93.3Very high26 Ų2646.9 Ų46.913%0.13323%0.233CC..  trans-86.5128.8175.8-67.5164.5000108.8I517 V523 L525 A670 L673 V677I517-I675 HydrophobicContact CB-CD1 4.14Å; I517-I675 HydrophobicContact CD1-CD1 3.98Å; I517-I675 HydrophobicContact CG1-CD1 3.72Å; I517-I675 HydrophobicContact CG2-CD1 3.54Å; V523-I675 HydrophobicContact CB-CG2 4.13Å; V523-I675 HydrophobicContact CG1-CG2 4.05Å; L525-I675 HydrophobicContact CG-CG2 4.39Å; A670-I675 HydrophobicContact CB-CB 3.88Å; A670-I675 HydrophobicContact CB-CG2 4.08Å; A670-I675 PolarHBondContact O-N 3.02Å; L673-I675 HydrophobicContact CB-CD1 3.83Å; L673-I675 HydrophobicContact CB-CG1 4.14Å; L673-I675 HydrophobicContact CD1-CD1 4.3Å; L673-I675 PolarHBondContact O-N 3.36Å; I675-V677 PolarHBondContact O-N 3.21Å
676P96.2Very high93.5Very high26 Ų2648.3 Ų48.317%0.16924%0.244CC..  trans-64.9130.3-180-17.628.9000112.3V524 L525 L687V524-P676 HydrophobicContact CG2-CB 4.46Å; V524-P676 HydrophobicContact CG2-CG 4.34Å; L525-P676 PolarHBondContact N-O 3.12Å; P676-L687 HydrophobicContact CB-CD1 3.99Å
677V96.9Very high93.5Very high31 Ų3150.9 Ų50.919%0.18826%0.257CS..EExtended strand (participates in β ladder)trans-117.8129.4172.9-174.60000108.3L525 I667 A670 I675 Y679L525-V677 HydrophobicContact CB-CG2 4.41Å; L525-V677 HydrophobicContact CD1-CG2 4.26Å; L525-V677 WeakPolarHBondContact O-CA 2.98Å; I667-V677 HydrophobicContact CG1-CG1 4.13Å; A670-V677 HydrophobicContact CB-CG2 3.55Å; I675-V677 PolarHBondContact O-N 3.21Å; V677-Y679 HydrophobicContact CG1-CE1 4.35Å
678A96.4Very high93.5Very high2 Ų250.8 Ų50.82%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-120.3149.2174.100000110.3L525 F526 I527 T683 A684 L687L525-A678 PolarHBondContact O-N 3.39Å; F526-A678 WeakPolarHBondContact CA-O 3.49Å; I527-A678 PolarHBondContact N-O 3.39Å; A678-T683 HydrophobicContact CB-CG2 4Å; A678-A684 HydrophobicContact CB-CB 3.73Å; A678-L687 HydrophobicContact CB-CD1 4.33Å
679Y93.5Very high93.8Very high129 Ų12949.1 Ų49.151%0.50625%0.247SC..SBendtrans-106.6-4.9-178.6-56.5-75.4000112.8F526 I527 I667 V677F526-Y679 WeakPolarHBondContact CE2-O 3.21Å; I527-Y679 WeakPolarHBondContact O-CD1 3.2Å; I667-Y679 HydrophobicContact CD1-CE1 4.08Å; V677-Y679 HydrophobicContact CG1-CE1 4.35Å
680D92.5Very high93.9Very high58 Ų5855.2 Ų55.231%0.3127%0.274SS..SBendtrans-131148.6171.672.793.1000109.7E682 T683 A684D680-E682 VanDerWaalsContact C-N 3.27Å; D680-E682 PolarHBondContact O-N 2.95Å; D680-E682 PolarHBondContact OD1-N 2.88Å; D680-T683 WeakPolarHBondContact OD1-CB 3.46Å; D680-T683 PolarHBondContact OD1-N 3.37Å; D680-T683 PolarHBondContact OD1-OG1 3.26Å; D680-T683 WeakPolarHBondContact OD2-CB 3.49Å; D680-T683 PolarHBondContact OD2-OG1 3.07Å; D680-A684 PolarHBondContact O-N 3.28Å
681I92.8Very high93.8Very high16 Ų1658.9 Ų58.98%0.08229%0.29CS..Hα-helixtrans-68.1-30.1-174.4-171.958.3000112.1L441 I445 I446 I499 F526 A684 L685L441-I681 HydrophobicContact CD2-CG2 4.35Å; I445-I681 HydrophobicContact CD1-CG2 4.21Å; I445-I681 HydrophobicContact CG2-CG2 4.07Å; I446-I681 HydrophobicContact CD1-CD1 3.95Å; I446-I681 HydrophobicContact CD1-CG1 4.18Å; I446-I681 HydrophobicContact CG1-CD1 4.08Å; I446-I681 HydrophobicContact CG1-CG1 3.94Å; I499-I681 HydrophobicContact CD1-CD1 4.25Å; I499-I681 HydrophobicContact CG1-CD1 4.19Å; F526-I681 HydrophobicContact CB-CD1 4.5Å; F526-I681 HydrophobicContact CD1-CB 4.47Å; F526-I681 HydrophobicContact CD1-CD1 3.86Å; F526-I681 HydrophobicContact CE1-CB 4.28Å; F526-I681 HydrophobicContact CE1-CD1 4.35Å; F526-I681 HydrophobicContact CG-CD1 4.21Å; F526-I681 HydrophobicContact CZ-CB 4.31Å; I681-A684 PolarHBondContact O-N 2.99Å; I681-L685 HydrophobicContact CD1-CG 4.44Å; I681-L685 HydrophobicContact CG1-CD1 4.18Å; I681-L685 HydrophobicContact CG1-CG 4.41Å; I681-L685 VanDerWaalsContact O-CG 3.28Å; I681-L685 WeakPolarHBondContact O-CG 3.35Å; I681-L685 PolarHBondContact O-N 3.43Å
682E93.9Very high93.9Very high107 Ų10753.6 Ų53.650%0.527%0.265SS..Hα-helixtrans-71.4-43.9-175.8-179153.9-148.700111.5K449 D680 L685 N686K449-E682 IonicContact NZ-OE1 3.11Å; K449-E682 PolarHBondContact NZ-OE1 2.82Å; D680-E682 VanDerWaalsContact C-N 3.27Å; D680-E682 PolarHBondContact O-N 2.95Å; D680-E682 PolarHBondContact OD1-N 2.88Å; E682-L685 PolarHBondContact O-N 3.42Å; E682-N686 WeakPolarHBondContact O-CB 3.28Å; E682-N686 PolarHBondContact O-N 2.91Å; E682-N686 PolarHBondContact O-ND2 3.04Å
683T95.7Very high93.8Very high58 Ų5852 Ų5236%0.35626%0.262SS..Hα-helixtrans-60.7-44.3171.2-61.50000111A678 D680 L685 N686 L687A678-T683 HydrophobicContact CB-CG2 4Å; D680-T683 WeakPolarHBondContact OD1-CB 3.46Å; D680-T683 PolarHBondContact OD1-N 3.37Å; D680-T683 PolarHBondContact OD1-OG1 3.26Å; D680-T683 WeakPolarHBondContact OD2-CB 3.49Å; D680-T683 PolarHBondContact OD2-OG1 3.07Å; T683-L685 VanDerWaalsContact C-N 3.34Å; T683-L685 PolarHBondContact O-N 3.28Å; T683-N686 PolarHBondContact O-N 3.37Å; T683-L687 HydrophobicContact CG2-CD1 4.09Å; T683-L687 HydrophobicContact CG2-CG 4.42Å; T683-L687 WeakPolarHBondContact O-CB 3.42Å; T683-L687 VanDerWaalsContact O-CG 3.28Å; T683-L687 WeakPolarHBondContact O-CG 3.2Å; T683-L687 PolarHBondContact O-N 3.26Å
684A95.5Very high93.2Very high0 Ų052.3 Ų52.30%027%0.273CS..Hα-helixtrans-58-46177.300000111.8L497 V524 F526 A678 D680 I681 L687 C688L497-A684 HydrophobicContact CD1-CB 4.03Å; V524-A684 HydrophobicContact CG1-CB 4.44Å; F526-A684 HydrophobicContact CB-CB 3.88Å; A678-A684 HydrophobicContact CB-CB 3.73Å; D680-A684 PolarHBondContact O-N 3.28Å; I681-A684 PolarHBondContact O-N 2.99Å; A684-L687 PolarHBondContact O-N 3.22Å; A684-C688 PolarHBondContact O-N 2.75Å; A684-C688 PolarHBondContact O-SG 3Å; A684-C688 VanDerWaalsContact O-SG 3.38Å
685L95.2Very high91.5Very high1 Ų152 Ų521%0.00527%0.267CS..Hα-helixtrans-66.6-42.8177.2-70.7170.6000112.4I445 I446 K449 L497 I681 E682 T683 L687 C688 I689I445-L685 HydrophobicContact CG2-CD1 3.99Å; I446-L685 HydrophobicContact CB-CD1 4.26Å; I446-L685 HydrophobicContact CB-CD2 4.33Å; I446-L685 HydrophobicContact CG1-CD1 3.88Å; I446-L685 HydrophobicContact CG1-CD2 4.17Å; I446-L685 HydrophobicContact CG1-CG 4.43Å; I446-L685 HydrophobicContact CG2-CD2 3.84Å; K449-L685 HydrophobicContact CD-CB 4.41Å; K449-L685 HydrophobicContact CD-CD1 4.35Å; L497-L685 HydrophobicContact CD2-CD2 3.75Å; I681-L685 HydrophobicContact CD1-CG 4.44Å; I681-L685 HydrophobicContact CG1-CD1 4.18Å; I681-L685 HydrophobicContact CG1-CG 4.41Å; I681-L685 VanDerWaalsContact O-CG 3.28Å; I681-L685 WeakPolarHBondContact O-CG 3.35Å; I681-L685 PolarHBondContact O-N 3.43Å; E682-L685 PolarHBondContact O-N 3.42Å; T683-L685 VanDerWaalsContact C-N 3.34Å; T683-L685 PolarHBondContact O-N 3.28Å; L685-L687 VanDerWaalsContact C-N 3.28Å; L685-L687 PolarHBondContact O-N 3.08Å; L685-C688 WeakPolarHBondContact O-CB 3.18Å; L685-C688 PolarHBondContact O-N 3.04Å; L685-C688 VanDerWaalsContact O-N 3.16Å; L685-I689 VanDerWaalsContact O-CG1 3.32Å; L685-I689 WeakPolarHBondContact O-CG1 3.34Å; L685-I689 PolarHBondContact O-N 2.7Å
686N95.3Very high89.3Confident74 Ų7459.6 Ų59.640%0.39631%0.306SS..Hα-helixtrans-59.8-40.9176.1-73.7-26.7000111.1K449 E682 T683 I689 F690K449-N686 WeakPolarHBondContact CE-OD1 3.38Å; K449-N686 PolarHBondContact NZ-OD1 3.06Å; E682-N686 WeakPolarHBondContact O-CB 3.28Å; E682-N686 PolarHBondContact O-N 2.91Å; E682-N686 PolarHBondContact O-ND2 3.04Å; T683-N686 PolarHBondContact O-N 3.37Å; N686-I689 PolarHBondContact O-N 2.99Å; N686-F690 WeakPolarHBondContact O-CB 3.25Å; N686-F690 PolarHBondContact O-N 3.33Å
687L95.3Very high88.9Confident54 Ų5461.3 Ų61.328%0.28331%0.313SS..Hα-helixtrans-63.4-41.8174.6-72.4168.8000111.9V524 P676 A678 T683 A684 L685 K691V524-L687 HydrophobicContact CG1-CB 4.45Å; P676-L687 HydrophobicContact CB-CD1 3.99Å; A678-L687 HydrophobicContact CB-CD1 4.33Å; T683-L687 HydrophobicContact CG2-CD1 4.09Å; T683-L687 HydrophobicContact CG2-CG 4.42Å; T683-L687 WeakPolarHBondContact O-CB 3.42Å; T683-L687 VanDerWaalsContact O-CG 3.28Å; T683-L687 WeakPolarHBondContact O-CG 3.2Å; T683-L687 PolarHBondContact O-N 3.26Å; A684-L687 PolarHBondContact O-N 3.22Å; L685-L687 VanDerWaalsContact C-N 3.28Å; L685-L687 PolarHBondContact O-N 3.08Å; L687-K691 WeakPolarHBondContact O-CB 3.24Å; L687-K691 WeakPolarHBondContact O-CG 3.36Å; L687-K691 PolarHBondContact O-N 3.15Å
688C95.4Very high88.5Confident0 Ų062.8 Ų62.80%032%0.319CS..Hα-helixtrans-60.8-51.5174.7-71.50000111.6I495 A684 L685 F690 K691 L692I495-C688 HydrophobicContact CD1-CB 4.3Å; I495-C688 HydrophobicContact CG2-CB 4.31Å; A684-C688 PolarHBondContact O-N 2.75Å; A684-C688 PolarHBondContact O-SG 3Å; A684-C688 VanDerWaalsContact O-SG 3.38Å; L685-C688 WeakPolarHBondContact O-CB 3.18Å; L685-C688 PolarHBondContact O-N 3.04Å; L685-C688 VanDerWaalsContact O-N 3.16Å; C688-F690 PolarHBondContact O-N 2.94Å; C688-K691 PolarHBondContact O-N 3.42Å; C688-L692 WeakPolarHBondContact O-CB 3.37Å; C688-L692 VanDerWaalsContact O-CG 3.27Å; C688-L692 WeakPolarHBondContact O-CG 3.38Å; C688-L692 PolarHBondContact O-N 2.73Å
689I94.3Very high88.1Confident24 Ų2466.2 Ų66.212%0.12334%0.336CS..Hα-helixtrans-61.5-45.7-179.9-66.9162.3000110.3K449 L455 L685 N686 K691 L692 T693K449-I689 HydrophobicContact CD-CD1 4.38Å; K449-I689 HydrophobicContact CG-CD1 3.86Å; L455-I689 HydrophobicContact CD1-CB 4.48Å; L455-I689 HydrophobicContact CD1-CG1 3.81Å; L685-I689 VanDerWaalsContact O-CG1 3.32Å; L685-I689 WeakPolarHBondContact O-CG1 3.34Å; L685-I689 PolarHBondContact O-N 2.7Å; N686-I689 PolarHBondContact O-N 2.99Å; I689-K691 PolarHBondContact O-N 3.27Å; I689-L692 PolarHBondContact O-N 2.93Å; I689-T693 HydrophobicContact CG2-CG2 4.17Å; I689-T693 WeakPolarHBondContact O-CB 3.34Å; I689-T693 WeakPolarHBondContact O-CG2 3.34Å; I689-T693 PolarHBondContact O-N 3.47Å; I689-T693 PolarHBondContact O-OG1 2.9Å
690F93Very high87.7Confident138 Ų13862.5 Ų62.561%0.60533%0.326SS*.Hα-helixtrans-59.4-47.7177.8178.6-99.3000111.7N686 C688 L692 T693 A694N686-F690 WeakPolarHBondContact O-CB 3.25Å; N686-F690 PolarHBondContact O-N 3.33Å; C688-F690 PolarHBondContact O-N 2.94Å; F690-L692 VanDerWaalsContact C-N 3.29Å; F690-L692 PolarHBondContact O-N 3.26Å; F690-T693 WeakPolarHBondContact CA-OG1 3.28Å; F690-T693 PolarHBondContact O-N 2.86Å; F690-T693 PolarHBondContact O-OG1 3.29Å; F690-A694 HydrophobicContact CZ-CB 4.44Å; F690-A694 WeakPolarHBondContact O-CB 3.32Å; F690-A694 PolarHBondContact O-N 3.15Å
691K91.8Very high87.5Confident77 Ų7762.8 Ų62.834%0.33533%0.327SS..Hα-helixtrans-62.9-34.6177.6-79.9-171.8167.8-164.70113.1I495 L687 C688 I689 Q695I495-K691 HydrophobicContact CD1-CB 3.76Å; I495-K691 HydrophobicContact CD1-CD 3.77Å; I495-K691 HydrophobicContact CD1-CG 4.37Å; L687-K691 WeakPolarHBondContact O-CB 3.24Å; L687-K691 WeakPolarHBondContact O-CG 3.36Å; L687-K691 PolarHBondContact O-N 3.15Å; C688-K691 PolarHBondContact O-N 3.42Å; I689-K691 PolarHBondContact O-N 3.27Å; K691-Q695 WeakPolarHBondContact O-CG 3.38Å
692L91.9Very high87.1Confident2 Ų265.9 Ų65.91%0.0134%0.343CS..Hα-helixtrans-78.5-30.3179.5-70.1171000113.3D425 V426 L455 R494 I495 C688 I689 F690D425-L692 HydrophobicContact CB-CD1 4.01Å; V426-L692 HydrophobicContact CG2-CD1 3.67Å; L455-L692 HydrophobicContact CD1-CD1 3.83Å; L455-L692 HydrophobicContact CD2-CB 4.49Å; L455-L692 HydrophobicContact CD2-CD1 4.22Å; R494-L692 HydrophobicContact CB-CD2 3.41Å; R494-L692 VanDerWaalsContact CB-CD2 3.41Å; R494-L692 HydrophobicContact CG-CD2 4.4Å; R494-L692 PolarHBondContact NH2-O 3.01Å; I495-L692 HydrophobicContact CB-CD2 4.24Å; I495-L692 HydrophobicContact CB-CG 4.46Å; I495-L692 HydrophobicContact CG2-CD1 3.69Å; I495-L692 HydrophobicContact CG2-CD2 4.08Å; I495-L692 HydrophobicContact CG2-CG 3.99Å; C688-L692 WeakPolarHBondContact O-CB 3.37Å; C688-L692 VanDerWaalsContact O-CG 3.27Å; C688-L692 WeakPolarHBondContact O-CG 3.38Å; C688-L692 PolarHBondContact O-N 2.73Å; I689-L692 PolarHBondContact O-N 2.93Å; F690-L692 VanDerWaalsContact C-N 3.29Å; F690-L692 PolarHBondContact O-N 3.26Å
693T85.6Confident86.6Confident64 Ų6463 Ų6339%0.39333%0.332SS..Hα-helixtrans-89.1-33.4-179.251.30000112.9I689 F690 Q695 I696I689-T693 HydrophobicContact CG2-CG2 4.17Å; I689-T693 WeakPolarHBondContact O-CB 3.34Å; I689-T693 WeakPolarHBondContact O-CG2 3.34Å; I689-T693 PolarHBondContact O-N 3.47Å; I689-T693 PolarHBondContact O-OG1 2.9Å; F690-T693 WeakPolarHBondContact CA-OG1 3.28Å; F690-T693 PolarHBondContact O-N 2.86Å; F690-T693 PolarHBondContact O-OG1 3.29Å; T693-Q695 PolarHBondContact O-N 3.29Å; T693-I696 PolarHBondContact O-N 3.11Å; T693-I696 VanDerWaalsContact O-N 3.11Å
694A78.2Confident85.9Confident66 Ų6663.4 Ų63.455%0.54533%0.33SS..THydrogen-bonded Turntrans-68.1-13175.100000113.7F690F690-A694 HydrophobicContact CZ-CB 4.44Å; F690-A694 WeakPolarHBondContact O-CB 3.32Å; F690-A694 PolarHBondContact O-N 3.15Å
695Q56.8Low85.1Confident139 Ų13968.7 Ų68.765%0.6536%0.358SS*.THydrogen-bonded Turntrans-86.4-8.8173.7-74.1177.8-8.400113.6K691 T693K691-Q695 WeakPolarHBondContact O-CG 3.38Å; T693-Q695 PolarHBondContact O-N 3.29Å
696I48.5Very low84.2Confident185 Ų18574.8 Ų74.895%0.94939%0.39SS*.  trans-94.50174.8-54.4173.8000107.7T693T693-I696 PolarHBondContact O-N 3.11Å; T693-I696 VanDerWaalsContact O-N 3.11Å

Retrieved 696 of 696 residues in 412.1 ms (Link to these results)

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