A0A087XMT0_POEFO Loading...

CAP-Gly domain containing linker protein 3

AlphaFold DB , UniProt , Accession A0A087XMT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 610 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
1M54.8Low67.4Low154 Ų154119.6 Ų119.676%0.75958%0.575SS**  0147.90-68.8-176.8-68.500109.3E5 E9M1-E5 VanDerWaalsContact C-OE2 3.32Å; M1-E5 WeakPolarHBondContact CA-OE2 3.5Å; M1-E5 HydrophobicContact CB-CB 3.98Å; M1-E5 WeakPolarHBondContact CB-OE2 3.46Å; M1-E5 HydrophobicContact CG-CB 4.24Å; M1-E5 HydrophobicContact SD-CB 4.38Å; M1-E9 VanDerWaalsContact CE-OE2 3.3Å; M1-E9 WeakPolarHBondContact CE-OE2 3.45Å
2T69.3Low68.1Low82 Ų82119.2 Ų119.250%0.50357%0.568SS.*  trans-74.9170.9169.461.90000110E4 E5 N6T2-E4 PolarHBondContact O-N 3.21Å; T2-E5 PolarHBondContact N-OE2 3.09Å; T2-E5 PolarHBondContact OG1-N 2.91Å; T2-E5 PolarHBondContact OG1-OE2 3.23Å; T2-N6 PolarHBondContact O-N 2.87Å
3K64.6Low68.9Low199 Ų199119.7 Ų119.787%0.86557%0.57SS**THydrogen-bonded Turntrans-64.3-17.6175.5-77.3-172.4171.4-174.10114M7K3-M7 WeakPolarHBondContact O-CB 3.24Å
4E65.4Low69.4Low133 Ų133121.8 Ų121.862%0.62157%0.569SS**THydrogen-bonded Turntrans-88.5-47.1-172.8-154.8155.2-155.400110.1T2 N6 M7 Q8T2-E4 PolarHBondContact O-N 3.21Å; E4-N6 PolarHBondContact O-N 2.94Å; E4-M7 WeakPolarHBondContact O-CB 2.93Å; E4-M7 PolarHBondContact O-N 3.1Å; E4-M7 VanDerWaalsContact O-N 3.13Å; E4-Q8 PolarHBondContact O-N 3.24Å; E4-Q8 VanDerWaalsContact O-N 3.08Å
5E64Low69.9Low92 Ų92122 Ų12243%0.4357%0.57SS.*Hα-helixtrans-55.5-47.6169.2-67.1163.9138.500111.5M1 T2 M7 Q8 E9M1-E5 VanDerWaalsContact C-OE2 3.32Å; M1-E5 WeakPolarHBondContact CA-OE2 3.5Å; M1-E5 HydrophobicContact CB-CB 3.98Å; M1-E5 WeakPolarHBondContact CB-OE2 3.46Å; M1-E5 HydrophobicContact CG-CB 4.24Å; M1-E5 HydrophobicContact SD-CB 4.38Å; T2-E5 PolarHBondContact N-OE2 3.09Å; T2-E5 PolarHBondContact OG1-N 2.91Å; T2-E5 PolarHBondContact OG1-OE2 3.23Å; E5-M7 PolarHBondContact O-N 3.32Å; E5-M7 VanDerWaalsContact O-N 3.14Å; E5-Q8 PolarHBondContact O-N 3.42Å; E5-E9 PolarHBondContact O-N 2.81Å
6N65.2Low70.5Confident77 Ų77117.9 Ų117.941%0.41255%0.554SS.*Hα-helixtrans-69.5-10.7-178.8-148.7127.6000113.5T2 E4T2-N6 PolarHBondContact O-N 2.87Å; E4-N6 PolarHBondContact O-N 2.94Å
7M68.3Low71.2Confident113 Ų113117.7 Ų117.756%0.55755%0.552SS**Hα-helixtrans-93.4-40.3174.7-177.1171.464.900110.5K3 E4 E5 E9 Q10 E11K3-M7 WeakPolarHBondContact O-CB 3.24Å; E4-M7 WeakPolarHBondContact O-CB 2.93Å; E4-M7 PolarHBondContact O-N 3.1Å; E4-M7 VanDerWaalsContact O-N 3.13Å; E5-M7 PolarHBondContact O-N 3.32Å; E5-M7 VanDerWaalsContact O-N 3.14Å; M7-E9 VanDerWaalsContact C-N 3.32Å; M7-E9 PolarHBondContact O-N 2.7Å; M7-Q10 PolarHBondContact O-N 3.12Å; M7-E11 WeakPolarHBondContact O-CB 3.22Å; M7-E11 PolarHBondContact O-N 2.87Å
8Q71.8Confident71.7Confident123 Ų123115.5 Ų115.558%0.57554%0.542SS*.Hα-helixtrans-63.1-37.3172.4-69.4173.4-13.300112.1E4 E5 E11 K12E4-Q8 PolarHBondContact O-N 3.24Å; E4-Q8 VanDerWaalsContact O-N 3.08Å; E5-Q8 PolarHBondContact O-N 3.42Å; Q8-E11 PolarHBondContact O-N 2.99Å; Q8-K12 WeakPolarHBondContact O-CB 3.49Å; Q8-K12 PolarHBondContact O-N 3.45Å
9E72.4Confident72.2Confident95 Ų95116.7 Ų116.744%0.44455%0.547SS..Hα-helixtrans-62.7-44.2175.5-164.9166.8-137.300111.5M1 E5 M7 K12 E13M1-E9 VanDerWaalsContact CE-OE2 3.3Å; M1-E9 WeakPolarHBondContact CE-OE2 3.45Å; E5-E9 PolarHBondContact O-N 2.81Å; M7-E9 VanDerWaalsContact C-N 3.32Å; M7-E9 PolarHBondContact O-N 2.7Å; E9-K12 PolarHBondContact O-N 3.37Å; E9-E13 WeakPolarHBondContact O-CG 3.4Å; E9-E13 PolarHBondContact O-N 3.25Å
10Q71.1Confident72.4Confident122 Ų122118 Ų11857%0.5755%0.553SS**Hα-helixtrans-70.2-33.6175.8-71.9-172.8-20.100113.7M7 K12 R14M7-Q10 PolarHBondContact O-N 3.12Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-R14 WeakPolarHBondContact O-CB 3.49Å; Q10-R14 PolarHBondContact O-N 3.01Å; Q10-R14 VanDerWaalsContact O-N 3.11Å
11E74.8Confident72.9Confident126 Ų126116.9 Ų116.959%0.58955%0.548SS*.Hα-helixtrans-69.2-35.5175.6-165.7159.8-139.300110.7M7 Q8 Q15M7-E11 WeakPolarHBondContact O-CB 3.22Å; M7-E11 PolarHBondContact O-N 2.87Å; Q8-E11 PolarHBondContact O-N 2.99Å; E11-Q15 WeakPolarHBondContact O-CG 3.25Å; E11-Q15 PolarHBondContact O-N 3.11Å; E11-Q15 VanDerWaalsContact O-N 3.16Å
12K76.3Confident74.1Confident114 Ų114116.5 Ų116.550%0.49654%0.544SS..Hα-helixtrans-69.3-48.9171-170.6-177.8-175.4-60.50112.8Q8 E9 Q10 R14 Q15 D16Q8-K12 WeakPolarHBondContact O-CB 3.49Å; Q8-K12 PolarHBondContact O-N 3.45Å; E9-K12 PolarHBondContact O-N 3.37Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; K12-R14 PolarHBondContact O-N 2.88Å; K12-R14 VanDerWaalsContact O-N 3.11Å; K12-Q15 PolarHBondContact O-N 2.77Å; K12-D16 IonicContact NZ-OD1 2.81Å; K12-D16 PolarHBondContact NZ-OD1 2.82Å; K12-D16 IonicContact NZ-OD2 2.66Å; K12-D16 PolarHBondContact NZ-OD2 3.29Å; K12-D16 WeakPolarHBondContact O-CB 3.21Å; K12-D16 VanDerWaalsContact O-CG 3.31Å; K12-D16 PolarHBondContact O-N 2.59Å
13E77.8Confident74.6Confident126 Ų126115 Ų11559%0.58954%0.54SS*.Hα-helixtrans-54.1-32.4175.4-76.9-177.9147.800111.9E9 H17E9-E13 WeakPolarHBondContact O-CG 3.4Å; E9-E13 PolarHBondContact O-N 3.25Å; E13-H17 WeakPolarHBondContact O-CB 3.32Å; E13-H17 PolarHBondContact O-N 3.17Å
14R75.8Confident75.5Confident149 Ų149111.1 Ų111.156%0.56252%0.52SS*.Hα-helixtrans-72.6-41.5175.9-168.6175.8-173.8-66.7-23.8112.8Q10 K12 H17 E18Q10-R14 WeakPolarHBondContact O-CB 3.49Å; Q10-R14 PolarHBondContact O-N 3.01Å; Q10-R14 VanDerWaalsContact O-N 3.11Å; K12-R14 PolarHBondContact O-N 2.88Å; K12-R14 VanDerWaalsContact O-N 3.11Å; R14-H17 PolarHBondContact O-N 3.28Å; R14-E18 IonicContact CZ-OE1 3.8Å; R14-E18 IonicContact CZ-OE2 3.92Å; R14-E18 IonicContact NH1-OE1 2.8Å; R14-E18 PolarHBondContact NH1-OE1 2.95Å; R14-E18 IonicContact NH1-OE2 2.73Å; R14-E18 PolarHBondContact NH1-OE2 3.48Å; R14-E18 IonicContact NH2-OE1 2.73Å; R14-E18 PolarHBondContact NH2-OE1 3.43Å; R14-E18 IonicContact NH2-OE2 3.17Å; R14-E18 PolarHBondContact O-N 2.66Å
15Q77.9Confident76.3Confident125 Ų125107.7 Ų107.758%0.58451%0.508SS*.Hα-helixtrans-67.4-45.9174.8-72.6-180-30.900111.6E11 K12 H17 E18 E19E11-Q15 WeakPolarHBondContact O-CG 3.25Å; E11-Q15 PolarHBondContact O-N 3.11Å; E11-Q15 VanDerWaalsContact O-N 3.16Å; K12-Q15 PolarHBondContact O-N 2.77Å; Q15-H17 PolarHBondContact O-N 3.01Å; Q15-H17 VanDerWaalsContact O-N 3.13Å; Q15-E18 PolarHBondContact O-N 2.91Å; Q15-E18 VanDerWaalsContact O-N 3.15Å; Q15-E19 WeakPolarHBondContact O-CB 3.3Å; Q15-E19 PolarHBondContact O-N 3.38Å
16D79.3Confident77.1Confident57 Ų57107.9 Ų107.931%0.30551%0.509SS..Hα-helixtrans-58.8-24.6176.1-65.4-6.3000112.1K12 Q20K12-D16 IonicContact NZ-OD1 2.81Å; K12-D16 PolarHBondContact NZ-OD1 2.82Å; K12-D16 IonicContact NZ-OD2 2.66Å; K12-D16 PolarHBondContact NZ-OD2 3.29Å; K12-D16 WeakPolarHBondContact O-CB 3.21Å; K12-D16 VanDerWaalsContact O-CG 3.31Å; K12-D16 PolarHBondContact O-N 2.59Å; D16-Q20 WeakPolarHBondContact O-CB 3.48Å; D16-Q20 VanDerWaalsContact O-CG 3.3Å; D16-Q20 WeakPolarHBondContact O-CG 3.34Å; D16-Q20 PolarHBondContact O-NE2 3.49Å
17H82.4Confident77.8Confident114 Ų114111.7 Ų111.753%0.52852%0.518SS..Hα-helixtrans-86.8-41.3173.9-173.2-54.8000113E13 R14 Q15 E19 Q20 E21E13-H17 WeakPolarHBondContact O-CB 3.32Å; E13-H17 PolarHBondContact O-N 3.17Å; R14-H17 PolarHBondContact O-N 3.28Å; Q15-H17 PolarHBondContact O-N 3.01Å; Q15-H17 VanDerWaalsContact O-N 3.13Å; H17-E19 VanDerWaalsContact C-N 3.33Å; H17-Q20 PolarHBondContact O-N 2.86Å; H17-E21 IonicContact CE1-OE2 3.94Å; H17-E21 PolarHBondContact CE1-OE2 3.48Å; H17-E21 VanDerWaalsContact CE1-OE2 3.27Å; H17-E21 IonicContact ND1-OE2 2.66Å; H17-E21 PolarHBondContact ND1-OE2 2.95Å; H17-E21 WeakPolarHBondContact O-CB 3.44Å; H17-E21 PolarHBondContact O-N 2.88Å
18E80.1Confident78.4Confident78 Ų78110.4 Ų110.436%0.36451%0.51SS..Hα-helixtrans-63.2-41.4176.3-75.5176.514600110.4R14 Q15 Q20 E21 E22R14-E18 IonicContact CZ-OE1 3.8Å; R14-E18 IonicContact CZ-OE2 3.92Å; R14-E18 IonicContact NH1-OE1 2.8Å; R14-E18 PolarHBondContact NH1-OE1 2.95Å; R14-E18 IonicContact NH1-OE2 2.73Å; R14-E18 PolarHBondContact NH1-OE2 3.48Å; R14-E18 IonicContact NH2-OE1 2.73Å; R14-E18 PolarHBondContact NH2-OE1 3.43Å; R14-E18 IonicContact NH2-OE2 3.17Å; R14-E18 PolarHBondContact O-N 2.66Å; Q15-E18 PolarHBondContact O-N 2.91Å; Q15-E18 VanDerWaalsContact O-N 3.15Å; E18-Q20 VanDerWaalsContact C-N 3.35Å; E18-Q20 PolarHBondContact O-N 3.22Å; E18-E21 PolarHBondContact O-N 3.46Å; E18-E22 WeakPolarHBondContact O-CG 3.21Å; E18-E22 PolarHBondContact O-N 2.91Å
19E80.3Confident78.8Confident139 Ų139109.2 Ų109.265%0.6551%0.505SS*.Hα-helixtrans-65.6-32.8174.4-169.1173.1-147.400112.7Q15 H17 A23Q15-E19 WeakPolarHBondContact O-CB 3.3Å; Q15-E19 PolarHBondContact O-N 3.38Å; H17-E19 VanDerWaalsContact C-N 3.33Å; E19-A23 WeakPolarHBondContact O-CB 3.46Å; E19-A23 PolarHBondContact O-N 3.27Å
20Q77.6Confident79.1Confident141 Ų141108.6 Ų108.666%0.65951%0.505SS*.Hα-helixtrans-74.5-27.3173-85.117465.800113.8D16 H17 E18 R24D16-Q20 WeakPolarHBondContact O-CB 3.48Å; D16-Q20 VanDerWaalsContact O-CG 3.3Å; D16-Q20 WeakPolarHBondContact O-CG 3.34Å; D16-Q20 PolarHBondContact O-NE2 3.49Å; H17-Q20 PolarHBondContact O-N 2.86Å; E18-Q20 VanDerWaalsContact C-N 3.35Å; E18-Q20 PolarHBondContact O-N 3.22Å; Q20-R24 PolarHBondContact O-N 2.9Å
21E81.6Confident79.5Confident96 Ų96108.5 Ų108.545%0.44950%0.504SS..Hα-helixtrans-80.7-42.1178.7-164.6156.8-160.800110.4H17 E18 R24 V25H17-E21 IonicContact CE1-OE2 3.94Å; H17-E21 PolarHBondContact CE1-OE2 3.48Å; H17-E21 VanDerWaalsContact CE1-OE2 3.27Å; H17-E21 IonicContact ND1-OE2 2.66Å; H17-E21 PolarHBondContact ND1-OE2 2.95Å; H17-E21 WeakPolarHBondContact O-CB 3.44Å; H17-E21 PolarHBondContact O-N 2.88Å; E18-E21 PolarHBondContact O-N 3.46Å; E21-R24 PolarHBondContact O-N 2.93Å; E21-R24 VanDerWaalsContact O-N 3.12Å; E21-V25 WeakPolarHBondContact O-CG2 3.27Å; E21-V25 PolarHBondContact O-N 3.31Å
22E80.1Confident79.8Confident145 Ų145108.7 Ų108.768%0.67851%0.505SS*.Hα-helixtrans-58.6-46.7168.3-70.6179.5175.400111.4E18 R24 V25 Q26E18-E22 WeakPolarHBondContact O-CG 3.21Å; E18-E22 PolarHBondContact O-N 2.91Å; E22-R24 PolarHBondContact O-N 3.4Å; E22-V25 PolarHBondContact O-N 2.89Å; E22-Q26 PolarHBondContact O-N 2.99Å
23A80.8Confident79.9Confident51 Ų51107.9 Ų107.942%0.42151%0.506SS..Hα-helixtrans-71.4-4.2176.300000114.9E19E19-A23 WeakPolarHBondContact O-CB 3.46Å; E19-A23 PolarHBondContact O-N 3.27Å
24R83.1Confident79.9Confident117 Ų117105.1 Ų105.144%0.44250%0.498SS..Hα-helixtrans-94.4-45.3167.7-155.5-167.888-106.3-14.9110.9Q20 E21 E22 Q26 R27 E28Q20-R24 PolarHBondContact O-N 2.9Å; E21-R24 PolarHBondContact O-N 2.93Å; E21-R24 VanDerWaalsContact O-N 3.12Å; E22-R24 PolarHBondContact O-N 3.4Å; R24-Q26 VanDerWaalsContact C-N 3.31Å; R24-Q26 PolarHBondContact O-N 2.77Å; R24-R27 PolarHBondContact O-N 2.92Å; R24-E28 IonicContact CZ-OE1 3.07Å; R24-E28 VanDerWaalsContact CZ-OE1 3.24Å; R24-E28 IonicContact CZ-OE2 3.27Å; R24-E28 IonicContact NE-OE1 3.58Å; R24-E28 PolarHBondContact NE-OE1 3.24Å; R24-E28 IonicContact NE-OE2 3.24Å; R24-E28 VanDerWaalsContact NH2-CD 3.28Å; R24-E28 IonicContact NH2-OE1 3.46Å; R24-E28 PolarHBondContact NH2-OE1 3.21Å; R24-E28 IonicContact NH2-OE2 2.7Å; R24-E28 PolarHBondContact NH2-OE2 2.93Å; R24-E28 WeakPolarHBondContact O-CG 3.33Å; R24-E28 PolarHBondContact O-N 3.41Å
25V81.4Confident80Confident61 Ų61104.7 Ų104.737%0.3750%0.502SS..Hα-helixtrans-59-43.4175.5174.30000110.7E21 E22 R27 E28 E29E21-V25 WeakPolarHBondContact O-CG2 3.27Å; E21-V25 PolarHBondContact O-N 3.31Å; E22-V25 PolarHBondContact O-N 2.89Å; V25-R27 PolarHBondContact O-N 3.44Å; V25-E28 PolarHBondContact O-N 2.79Å; V25-E29 HydrophobicContact CG1-CG 4.36Å; V25-E29 WeakPolarHBondContact O-CG 3.35Å; V25-E29 PolarHBondContact O-N 2.56Å
26Q81.2Confident79.9Confident96 Ų96104.7 Ų104.745%0.44950%0.502SS..Hα-helixtrans-60.3-32.2176.3-167.76474.200112.5E22 R24 E29 D30E22-Q26 PolarHBondContact O-N 2.99Å; R24-Q26 VanDerWaalsContact C-N 3.31Å; R24-Q26 PolarHBondContact O-N 2.77Å; Q26-E29 PolarHBondContact NE2-OE2 2.8Å; Q26-D30 PolarHBondContact NE2-OD1 2.65Å; Q26-D30 VanDerWaalsContact O-CB 3.25Å; Q26-D30 WeakPolarHBondContact O-CB 3.26Å; Q26-D30 PolarHBondContact O-N 3.02Å
27R80.5Confident79.9Confident158 Ų158108.5 Ų108.560%0.59652%0.518SS*.Hα-helixtrans-77.1-32.9173.6-73.3-166.7-169.9124.110.3113.4R24 V25 E29 D30 E31R24-R27 PolarHBondContact O-N 2.92Å; V25-R27 PolarHBondContact O-N 3.44Å; R27-E29 VanDerWaalsContact C-N 3.31Å; R27-D30 PolarHBondContact O-N 3.22Å; R27-E31 WeakPolarHBondContact O-CB 3.08Å; R27-E31 WeakPolarHBondContact O-CG 3.37Å; R27-E31 PolarHBondContact O-N 3.36Å
28E79.4Confident79.6Confident86 Ų86110 Ų11040%0.40253%0.525SS..Hα-helixtrans-65.8-39.2174.2-69.9168.5172.400109.4R24 V25 E32R24-E28 IonicContact CZ-OE1 3.07Å; R24-E28 VanDerWaalsContact CZ-OE1 3.24Å; R24-E28 IonicContact CZ-OE2 3.27Å; R24-E28 IonicContact NE-OE1 3.58Å; R24-E28 PolarHBondContact NE-OE1 3.24Å; R24-E28 IonicContact NE-OE2 3.24Å; R24-E28 VanDerWaalsContact NH2-CD 3.28Å; R24-E28 IonicContact NH2-OE1 3.46Å; R24-E28 PolarHBondContact NH2-OE1 3.21Å; R24-E28 IonicContact NH2-OE2 2.7Å; R24-E28 PolarHBondContact NH2-OE2 2.93Å; R24-E28 WeakPolarHBondContact O-CG 3.33Å; R24-E28 PolarHBondContact O-N 3.41Å; V25-E28 PolarHBondContact O-N 2.79Å; E28-E32 VanDerWaalsContact O-CB 3.25Å; E28-E32 WeakPolarHBondContact O-CB 3.46Å; E28-E32 PolarHBondContact O-N 2.76Å
29E80.4Confident79.4Confident97 Ų97111.7 Ų111.745%0.45354%0.537SS..Hα-helixtrans-68.5-43.9170.7-67.8176.517700113.1V25 Q26 R27 E31 L33V25-E29 HydrophobicContact CG1-CG 4.36Å; V25-E29 WeakPolarHBondContact O-CG 3.35Å; V25-E29 PolarHBondContact O-N 2.56Å; Q26-E29 PolarHBondContact NE2-OE2 2.8Å; R27-E29 VanDerWaalsContact C-N 3.31Å; E29-E31 VanDerWaalsContact C-N 3.33Å; E29-E31 PolarHBondContact O-N 2.88Å; E29-L33 WeakPolarHBondContact O-CB 3.39Å; E29-L33 WeakPolarHBondContact O-CG 3.37Å; E29-L33 PolarHBondContact O-N 2.87Å
30D78.9Confident79.2Confident83 Ų83112.5 Ų112.544%0.44454%0.54SS..Hα-helixtrans-67.8-30.9178.3-65.5-7.2000112Q26 R27 T34Q26-D30 PolarHBondContact NE2-OD1 2.65Å; Q26-D30 VanDerWaalsContact O-CB 3.25Å; Q26-D30 WeakPolarHBondContact O-CB 3.26Å; Q26-D30 PolarHBondContact O-N 3.02Å; R27-D30 PolarHBondContact O-N 3.22Å; D30-T34 PolarHBondContact O-N 3.36Å; D30-T34 PolarHBondContact O-OG1 2.94Å
31E80.5Confident79.2Confident119 Ų119111.8 Ų111.856%0.55654%0.537SS*.Hα-helixtrans-77.1-42.9175.3-74.8170.6-169.900111.1R27 E29 L33 T34 E35R27-E31 WeakPolarHBondContact O-CB 3.08Å; R27-E31 WeakPolarHBondContact O-CG 3.37Å; R27-E31 PolarHBondContact O-N 3.36Å; E29-E31 VanDerWaalsContact C-N 3.33Å; E29-E31 PolarHBondContact O-N 2.88Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.35Å; E31-T34 WeakPolarHBondContact CA-OG1 3.31Å; E31-T34 PolarHBondContact O-N 2.78Å; E31-T34 VanDerWaalsContact O-N 3.1Å; E31-T34 PolarHBondContact O-OG1 2.83Å; E31-E35 PolarHBondContact O-N 2.79Å
32E79.8Confident79Confident130 Ų130114.1 Ų114.161%0.60755%0.548SS*.Hα-helixtrans-61.3-39.3175.9-170.1167-145.800111.5E28 T34 E35 E36E28-E32 VanDerWaalsContact O-CB 3.25Å; E28-E32 WeakPolarHBondContact O-CB 3.46Å; E28-E32 PolarHBondContact O-N 2.76Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-T34 PolarHBondContact O-N 3.01Å; E32-E35 PolarHBondContact O-N 2.65Å; E32-E36 PolarHBondContact O-N 3.15Å
33L78.9Confident78.9Confident98 Ų98113.9 Ų113.951%0.51355%0.547SS..Hα-helixtrans-64.4-32.5172.7-77.6167.4000113.7E29 E31 E37E29-L33 WeakPolarHBondContact O-CB 3.39Å; E29-L33 WeakPolarHBondContact O-CG 3.37Å; E29-L33 PolarHBondContact O-N 2.87Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.35Å; L33-E37 PolarHBondContact O-N 3.02Å
34T78.5Confident79Confident68 Ų68118.1 Ų118.142%0.41756%0.558SS.*Hα-helixtrans-78.3-26.117549.50000113.3D30 E31 E32 E38D30-T34 PolarHBondContact O-N 3.36Å; D30-T34 PolarHBondContact O-OG1 2.94Å; E31-T34 WeakPolarHBondContact CA-OG1 3.31Å; E31-T34 PolarHBondContact O-N 2.78Å; E31-T34 VanDerWaalsContact O-N 3.1Å; E31-T34 PolarHBondContact O-OG1 2.83Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-T34 PolarHBondContact O-N 3.01Å; T34-E38 WeakPolarHBondContact O-CB 3.29Å; T34-E38 WeakPolarHBondContact O-CG 3.19Å; T34-E38 PolarHBondContact O-N 2.68Å
35E77.6Confident78.7Confident139 Ų139120.3 Ų120.365%0.6557%0.567SS**Hα-helixtrans-71-37.8169.2-67.9-173.7166.700110.3E31 E32 E38 D39E31-E35 PolarHBondContact O-N 2.79Å; E32-E35 PolarHBondContact O-N 2.65Å; E35-E38 PolarHBondContact O-N 3.41Å; E35-D39 WeakPolarHBondContact O-CB 3.37Å; E35-D39 PolarHBondContact O-N 2.95Å
36E76.2Confident78.6Confident125 Ų125124.2 Ų124.258%0.58458%0.582SS**Hα-helixtrans-64.4-39.8170.8-70.7-172.5154.700113E32 E40E32-E36 PolarHBondContact O-N 3.15Å; E36-E40 PolarHBondContact O-N 2.97Å; E36-E40 VanDerWaalsContact O-N 3.07Å
37E78.2Confident78.5Confident138 Ų138124 Ų12465%0.64558%0.583SS**Hα-helixtrans-69.7-33.8175.3-75.5-175.7169.300113.1L33 E41L33-E37 PolarHBondContact O-N 3.02Å; E37-E41 PolarHBondContact O-N 2.92Å
38E76.9Confident78.5Confident144 Ų144122.3 Ų122.367%0.67358%0.582SS**Hα-helixtrans-73.7-36.8174.6-74.9-173.4-178.600112.2T34 E35 E41 E42T34-E38 WeakPolarHBondContact O-CB 3.29Å; T34-E38 WeakPolarHBondContact O-CG 3.19Å; T34-E38 PolarHBondContact O-N 2.68Å; E35-E38 PolarHBondContact O-N 3.41Å; E38-E41 PolarHBondContact O-N 3.27Å; E38-E42 PolarHBondContact O-N 2.99Å; E38-E42 VanDerWaalsContact O-N 3.1Å
39D74.4Confident78.5Confident115 Ų115124.8 Ų124.862%0.61559%0.593SS**Hα-helixtrans-66.7-38.2173.7-85.1-3.4000111.9E35 E42 E43E35-D39 WeakPolarHBondContact O-CB 3.37Å; E35-D39 PolarHBondContact O-N 2.95Å; D39-E42 PolarHBondContact O-N 3.43Å; D39-E43 PolarHBondContact O-N 3.16Å
40E77.1Confident78.4Confident155 Ų155125.9 Ų125.972%0.72460%0.599SS**Hα-helixtrans-66.2-34.6174.2-78.4-166174.300112.5E36 E44E36-E40 PolarHBondContact O-N 2.97Å; E36-E40 VanDerWaalsContact O-N 3.07Å; E40-E44 PolarHBondContact O-N 3.06Å; E40-E44 VanDerWaalsContact O-N 3.15Å
41E77.9Confident78.5Confident127 Ų127129.2 Ų129.259%0.59361%0.605SS**Hα-helixtrans-69.7-37.8172.7-77.7-164.5176.700112.4E37 E38 E44 Y45E37-E41 PolarHBondContact O-N 2.92Å; E38-E41 PolarHBondContact O-N 3.27Å; E41-E44 PolarHBondContact O-N 3.32Å; E41-Y45 WeakPolarHBondContact O-CD2 3.41Å; E41-Y45 PolarHBondContact O-N 3.44Å; E41-Y45 VanDerWaalsContact O-N 3.16Å
42E77.1Confident78.5Confident145 Ų145125.8 Ų125.868%0.67860%0.597SS**Hα-helixtrans-67.3-38.2174.5-73.1-158.1165.300112.3E38 D39 Y45 E46E38-E42 PolarHBondContact O-N 2.99Å; E38-E42 VanDerWaalsContact O-N 3.1Å; D39-E42 PolarHBondContact O-N 3.43Å; E42-Y45 PolarHBondContact O-N 3.16Å; E42-E46 PolarHBondContact O-N 3.23Å; E42-E46 VanDerWaalsContact O-N 3.07Å
43E79Confident78.5Confident140 Ų140126.1 Ų126.165%0.65460%0.598SS**Hα-helixtrans-64.8-37.6173-79.4-158.7176.100112.9D39 Y45 L47D39-E43 PolarHBondContact O-N 3.16Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; E43-L47 WeakPolarHBondContact O-CB 3.34Å; E43-L47 WeakPolarHBondContact O-CD1 3.5Å; E43-L47 VanDerWaalsContact O-CG 3.26Å; E43-L47 WeakPolarHBondContact O-CG 3.3Å; E43-L47 PolarHBondContact O-N 2.65Å
44E81.5Confident78.3Confident139 Ų139126.3 Ų126.365%0.6560%0.598SS**Hα-helixtrans-65.9-37175.8-171.7163.9-139.400111.5E40 E41 L47 E48E40-E44 PolarHBondContact O-N 3.06Å; E40-E44 VanDerWaalsContact O-N 3.15Å; E41-E44 PolarHBondContact O-N 3.32Å; E44-L47 PolarHBondContact O-N 2.89Å; E44-E48 PolarHBondContact O-N 3.47Å; E44-E48 VanDerWaalsContact O-N 3.1Å
45Y76.8Confident78.3Confident164 Ų164128.4 Ų128.464%0.64360%0.603SS**Hα-helixtrans-68.7-43.2176.2-83.2-57.5000114E41 E42 E43 L47 E48 E49E41-Y45 WeakPolarHBondContact O-CD2 3.41Å; E41-Y45 PolarHBondContact O-N 3.44Å; E41-Y45 VanDerWaalsContact O-N 3.16Å; E42-Y45 PolarHBondContact O-N 3.16Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; Y45-L47 VanDerWaalsContact C-N 3.26Å; Y45-L47 PolarHBondContact O-N 2.77Å; Y45-E48 PolarHBondContact O-N 2.88Å; Y45-E49 PolarHBondContact O-N 3.41Å; Y45-E49 VanDerWaalsContact O-N 3.14Å
46E79.3Confident78.3Confident143 Ų143126.1 Ų126.167%0.66860%0.595SS**Hα-helixtrans-62.6-34.7175.3-71.1-161.9158.200111.4E42 E49 E50E42-E46 PolarHBondContact O-N 3.23Å; E42-E46 VanDerWaalsContact O-N 3.07Å; E46-E49 PolarHBondContact O-N 3.19Å; E46-E50 PolarHBondContact O-N 3.12Å
47L79.4Confident78.4Confident90 Ų90127 Ų12747%0.47160%0.599SS.*Hα-helixtrans-74-22.7176.8-70.9171000114.5E43 E44 Y45E43-L47 WeakPolarHBondContact O-CB 3.34Å; E43-L47 WeakPolarHBondContact O-CD1 3.5Å; E43-L47 VanDerWaalsContact O-CG 3.26Å; E43-L47 WeakPolarHBondContact O-CG 3.3Å; E43-L47 PolarHBondContact O-N 2.65Å; E44-L47 PolarHBondContact O-N 2.89Å; Y45-L47 VanDerWaalsContact C-N 3.26Å; Y45-L47 PolarHBondContact O-N 2.77Å
48E80.5Confident78.4Confident123 Ų123127 Ų12758%0.57560%0.6SS**Hα-helixtrans-75.6-36.7166.9-73.2-154.6142.200111.7E44 Y45 R51 A52E44-E48 PolarHBondContact O-N 3.47Å; E44-E48 VanDerWaalsContact O-N 3.1Å; Y45-E48 PolarHBondContact O-N 2.88Å; E48-R51 PolarHBondContact O-N 2.71Å; E48-A52 PolarHBondContact O-N 3.06Å; E48-A52 VanDerWaalsContact O-N 3.08Å
49E79.3Confident78.3Confident139 Ų139126.7 Ų126.765%0.6560%0.598SS**Hα-helixtrans-70.2-45.7177.6-165.4161-145.600111.9Y45 E46 R51 A52 E53Y45-E49 PolarHBondContact O-N 3.41Å; Y45-E49 VanDerWaalsContact O-N 3.14Å; E46-E49 PolarHBondContact O-N 3.19Å; E49-R51 PolarHBondContact O-N 3.47Å; E49-A52 PolarHBondContact O-N 3.05Å; E49-A52 VanDerWaalsContact O-N 3.14Å; E49-E53 PolarHBondContact O-N 3.4Å
50E79.1Confident78.4Confident120 Ų120127.3 Ų127.356%0.56160%0.597SS**Hα-helixtrans-56.6-37.2173.1-79.5-161.1152.600112.4E46 M54E46-E50 PolarHBondContact O-N 3.12Å; E50-M54 WeakPolarHBondContact O-CG 3.38Å; E50-M54 PolarHBondContact O-N 2.99Å; E50-M54 VanDerWaalsContact O-N 3.11Å
51R81.6Confident78.3Confident152 Ų152126 Ų12657%0.57459%0.591SS**Hα-helixtrans-67.7-45.5177.2-174.1-166.2-54.9-118.20.3111.5E48 E49 E53 M54 E55E48-R51 PolarHBondContact O-N 2.71Å; E49-R51 PolarHBondContact O-N 3.47Å; R51-E53 VanDerWaalsContact C-N 3.28Å; R51-E53 PolarHBondContact O-N 2.7Å; R51-M54 PolarHBondContact O-N 2.93Å; R51-E55 WeakPolarHBondContact CD-OE1 3.45Å; R51-E55 HydrophobicContact CG-CG 4.41Å; R51-E55 WeakPolarHBondContact CG-OE1 3.25Å; R51-E55 WeakPolarHBondContact O-CG 3.49Å; R51-E55 PolarHBondContact O-N 3.25Å
52A78.6Confident78.2Confident47 Ų47126.9 Ų126.939%0.38860%0.595SS.*Hα-helixtrans-63.1-34.5178.700000112.1E48 E49 N56E48-A52 PolarHBondContact O-N 3.06Å; E48-A52 VanDerWaalsContact O-N 3.08Å; E49-A52 PolarHBondContact O-N 3.05Å; E49-A52 VanDerWaalsContact O-N 3.14Å; A52-N56 PolarHBondContact O-N 3.02Å; A52-N56 PolarHBondContact O-ND2 3.45Å
53E79.7Confident78.1Confident137 Ų137127.4 Ų127.464%0.6460%0.598SS**Hα-helixtrans-67-46.5171.8-67.3-158.7143.200111.8E49 R51 E55 N56 E57E49-E53 PolarHBondContact O-N 3.4Å; R51-E53 VanDerWaalsContact C-N 3.28Å; R51-E53 PolarHBondContact O-N 2.7Å; E53-E55 PolarHBondContact O-N 3.43Å; E53-N56 PolarHBondContact O-N 3.07Å; E53-N56 VanDerWaalsContact O-N 3.13Å; E53-E57 PolarHBondContact O-N 3.36Å
54M75.8Confident77.9Confident103 Ų103127.5 Ų127.551%0.50759%0.592SS.*Hα-helixtrans-60.8-42.3176.8-73.5-173.9-64.900113.2E50 R51 N56 E57 E58E50-M54 WeakPolarHBondContact O-CG 3.38Å; E50-M54 PolarHBondContact O-N 2.99Å; E50-M54 VanDerWaalsContact O-N 3.11Å; R51-M54 PolarHBondContact O-N 2.93Å; M54-N56 PolarHBondContact O-N 2.96Å; M54-E57 PolarHBondContact O-N 3.35Å; M54-E57 VanDerWaalsContact O-N 3.08Å; M54-E58 PolarHBondContact O-N 2.98Å
55E78.6Confident77.5Confident111 Ų111127.4 Ų127.452%0.51959%0.592SS.*Hα-helixtrans-62.3-31.1176.7-72.7176-169.500111.6R51 E53 E59R51-E55 WeakPolarHBondContact CD-OE1 3.45Å; R51-E55 HydrophobicContact CG-CG 4.41Å; R51-E55 WeakPolarHBondContact CG-OE1 3.25Å; R51-E55 WeakPolarHBondContact O-CG 3.49Å; R51-E55 PolarHBondContact O-N 3.25Å; E53-E55 PolarHBondContact O-N 3.43Å; E55-E59 PolarHBondContact O-N 3.1Å
56N76.4Confident77.3Confident92 Ų92126 Ų12649%0.49259%0.591SS.*Hα-helixtrans-78.2-26.4172.7-81-100.3000113.4A52 E53 M54 Q60A52-N56 PolarHBondContact O-N 3.02Å; A52-N56 PolarHBondContact O-ND2 3.45Å; E53-N56 PolarHBondContact O-N 3.07Å; E53-N56 VanDerWaalsContact O-N 3.13Å; M54-N56 PolarHBondContact O-N 2.96Å; N56-Q60 WeakPolarHBondContact O-CG 3.34Å; N56-Q60 PolarHBondContact O-N 3.4Å; N56-Q60 PolarHBondContact O-NE2 3.17Å
57E78.6Confident76.9Confident142 Ų142126.6 Ų126.666%0.66459%0.587SS**Hα-helixtrans-75.6-40.1173.4-70.2-161.8144.100111.5E53 M54 Q60 E61E53-E57 PolarHBondContact O-N 3.36Å; M54-E57 PolarHBondContact O-N 3.35Å; M54-E57 VanDerWaalsContact O-N 3.08Å; E57-Q60 PolarHBondContact O-N 2.87Å; E57-E61 PolarHBondContact O-N 3.39Å
58E78.3Confident76.3Confident140 Ų140127.1 Ų127.165%0.65459%0.587SS**Hα-helixtrans-63.4-44.8175.5-70.5-173.8164.100111.8M54 Q60 E61 E62M54-E58 PolarHBondContact O-N 2.98Å; E58-Q60 VanDerWaalsContact C-N 3.26Å; E58-Q60 PolarHBondContact O-N 2.93Å; E58-E61 PolarHBondContact O-N 3.47Å; E58-E61 VanDerWaalsContact O-N 3.16Å; E58-E62 PolarHBondContact O-N 3.37Å
59E76Confident75.7Confident137 Ų137128.3 Ų128.364%0.6459%0.592SS**Hα-helixtrans-59.8-33.3174.1-76.7-169.8166.600112.7E55 E63E55-E59 PolarHBondContact O-N 3.1Å; E59-E63 PolarHBondContact O-N 3.11Å; E59-E63 VanDerWaalsContact O-N 3.1Å
60Q76.1Confident75Confident128 Ų128127.6 Ų127.660%0.59859%0.589SS**Hα-helixtrans-78.6-23.7177.7-79.9174.29200114N56 E57 E58 R64N56-Q60 WeakPolarHBondContact O-CG 3.34Å; N56-Q60 PolarHBondContact O-N 3.4Å; N56-Q60 PolarHBondContact O-NE2 3.17Å; E57-Q60 PolarHBondContact O-N 2.87Å; E58-Q60 VanDerWaalsContact C-N 3.26Å; E58-Q60 PolarHBondContact O-N 2.93Å; Q60-R64 WeakPolarHBondContact O-CB 3.48Å
61E74.7Confident74.2Confident126 Ų126127.2 Ų127.259%0.58959%0.588SS**Hα-helixtrans-80.9-38.7173.6-161.2150.1-125.400110.4E57 E58 R64 E65E57-E61 PolarHBondContact O-N 3.39Å; E58-E61 PolarHBondContact O-N 3.47Å; E58-E61 VanDerWaalsContact O-N 3.16Å; E61-R64 WeakPolarHBondContact O-CB 3.48Å; E61-R64 PolarHBondContact O-N 2.91Å; E61-R64 VanDerWaalsContact O-N 3.14Å; E61-E65 PolarHBondContact O-N 2.99Å
62E75.9Confident73Confident146 Ų146127.5 Ų127.568%0.68260%0.595SS**Hα-helixtrans-62.6-47.3171.2-71.2-164.4159.500112.8E58 R64 E65 E66E58-E62 PolarHBondContact O-N 3.37Å; E62-R64 PolarHBondContact O-N 2.84Å; E62-E65 PolarHBondContact O-N 2.85Å; E62-E66 PolarHBondContact O-N 3.06Å
63E75.3Confident71.9Confident156 Ų156133 Ų13373%0.72961%0.613SS**Hα-helixtrans-58-20.5174.2-87.1-156.3162.600113E59E59-E63 PolarHBondContact O-N 3.11Å; E59-E63 VanDerWaalsContact O-N 3.1Å
64R74.3Confident70.8Confident143 Ų143134.8 Ų134.854%0.5462%0.621SS.*Hα-helixtrans-92.3-41.6179.6-175.2173.8169.1-137.3-21.9112.7Q60 E61 E62 R67 E68Q60-R64 WeakPolarHBondContact O-CB 3.48Å; E61-R64 WeakPolarHBondContact O-CB 3.48Å; E61-R64 PolarHBondContact O-N 2.91Å; E61-R64 VanDerWaalsContact O-N 3.14Å; E62-R64 PolarHBondContact O-N 2.84Å; R64-R67 PolarHBondContact O-N 3.38Å; R64-E68 IonicContact CZ-OE1 2.95Å; R64-E68 IonicContact NE-OE1 2.92Å; R64-E68 PolarHBondContact NE-OE1 3.18Å; R64-E68 IonicContact NH2-OE1 3.71Å; R64-E68 PolarHBondContact NH2-OE1 3.24Å; R64-E68 IonicContact NH2-OE2 3.06Å; R64-E68 PolarHBondContact O-N 2.68Å
65E73.7Confident69.7Low137 Ų137137.9 Ų137.964%0.6463%0.634SS**Hα-helixtrans-64.2-43.6174.5-68.6-161.6152.400111.2E61 E62 R67 E68 E69E61-E65 PolarHBondContact O-N 2.99Å; E62-E65 PolarHBondContact O-N 2.85Å; E65-R67 PolarHBondContact O-N 3.32Å; E65-E68 PolarHBondContact O-N 3.33Å; E65-E69 PolarHBondContact O-N 2.83Å
66E72.5Confident68.5Low134 Ų134141.3 Ų141.363%0.62665%0.651SS**Hα-helixtrans-55.8-28.9173.6-79.4-155.8157.500112.6E62 Q70E62-E66 PolarHBondContact O-N 3.06Å; E66-Q70 WeakPolarHBondContact O-CG 3.4Å; E66-Q70 PolarHBondContact O-N 3.01Å; E66-Q70 PolarHBondContact O-NE2 3.4Å
67R69.9Low67Low155 Ų155145.8 Ų145.859%0.58567%0.669SS**Hα-helixtrans-85.7-38.8-179.4-177.8177.5171.1173.9-1.8112.9R64 E65 E69 Q70 E71R64-R67 PolarHBondContact O-N 3.38Å; E65-R67 PolarHBondContact O-N 3.32Å; R67-E69 VanDerWaalsContact C-N 3.31Å; R67-Q70 PolarHBondContact O-N 3.15Å; R67-E71 IonicContact CZ-OE1 3.85Å; R67-E71 IonicContact NE-OE1 2.94Å; R67-E71 PolarHBondContact NE-OE1 3.05Å; R67-E71 IonicContact NH2-OE1 3.62Å; R67-E71 PolarHBondContact NH2-OE1 3.15Å; R67-E71 VanDerWaalsContact NH2-OE1 3.07Å; R67-E71 PolarHBondContact O-N 3.26Å
68E67.6Low65.5Low101 Ų101143 Ų14347%0.47267%0.669SS.*Hα-helixtrans-67.6-34.3175.9-69.9-177.6-160.900110.2R64 E65 E71 E72R64-E68 IonicContact CZ-OE1 2.95Å; R64-E68 IonicContact NE-OE1 2.92Å; R64-E68 PolarHBondContact NE-OE1 3.18Å; R64-E68 IonicContact NH2-OE1 3.71Å; R64-E68 PolarHBondContact NH2-OE1 3.24Å; R64-E68 IonicContact NH2-OE2 3.06Å; R64-E68 PolarHBondContact O-N 2.68Å; E65-E68 PolarHBondContact O-N 3.33Å; E68-E71 PolarHBondContact O-N 2.91Å; E68-E72 PolarHBondContact O-N 3.49Å
69E68.3Low64Low148 Ų148141.9 Ų141.969%0.69268%0.675SS**Hα-helixtrans-64-41168.8-70.1-163150.200113.2E65 R67 E71 E72 E73E65-E69 PolarHBondContact O-N 2.83Å; R67-E69 VanDerWaalsContact C-N 3.31Å; E69-E71 VanDerWaalsContact C-N 3.33Å; E69-E71 PolarHBondContact O-N 3.31Å; E69-E72 PolarHBondContact O-N 2.83Å; E69-E73 PolarHBondContact O-N 3.39Å
70Q63.8Low62.6Low124 Ų124141.5 Ų141.558%0.57968%0.684SS**Hα-helixtrans-65.7-32.2176.6-81.3169.775.700113.3E66 R67E66-Q70 WeakPolarHBondContact O-CG 3.4Å; E66-Q70 PolarHBondContact O-N 3.01Å; E66-Q70 PolarHBondContact O-NE2 3.4Å; R67-Q70 PolarHBondContact O-N 3.15Å
71E61.5Low60.6Low113 Ų113142.4 Ų142.453%0.52870%0.698SS.*Hα-helixtrans-77.1-23175.6-68.7-177-159.400111.7R67 E68 E69R67-E71 IonicContact CZ-OE1 3.85Å; R67-E71 IonicContact NE-OE1 2.94Å; R67-E71 PolarHBondContact NE-OE1 3.05Å; R67-E71 IonicContact NH2-OE1 3.62Å; R67-E71 PolarHBondContact NH2-OE1 3.15Å; R67-E71 VanDerWaalsContact NH2-OE1 3.07Å; R67-E71 PolarHBondContact O-N 3.26Å; E68-E71 PolarHBondContact O-N 2.91Å; E69-E71 VanDerWaalsContact C-N 3.33Å; E69-E71 PolarHBondContact O-N 3.31Å
72E56.5Low58.7Low157 Ų157145.1 Ų145.173%0.73471%0.711SS**Hα-helixtrans-78.2-38.7169.7-70.6-159.1159.200113.6E68 E69 E74 E75E68-E72 PolarHBondContact O-N 3.49Å; E69-E72 PolarHBondContact O-N 2.83Å; E72-E74 VanDerWaalsContact C-N 3.29Å; E72-E74 PolarHBondContact O-N 2.91Å; E72-E75 PolarHBondContact O-N 3.41Å
73E56.5Low57.8Low163 Ų163143.3 Ų143.376%0.76271%0.712SS**Hα-helixtrans-64.1-28.2177.9-76.6-155.814800113.4E69 E75E69-E73 PolarHBondContact O-N 3.39Å; E73-E75 PolarHBondContact O-N 3.12Å
74E55.7Low55.6Low175 Ų175140.6 Ų140.682%0.81872%0.716SS**THydrogen-bonded Turntrans-73.3-18.4176.4-76-154.3150.400114.1E72E72-E74 VanDerWaalsContact C-N 3.29Å; E72-E74 PolarHBondContact O-N 2.91Å
75E54.1Low53.5Low167 Ų167138.6 Ų138.678%0.7873%0.73SS**THydrogen-bonded Turntrans-84.4-22.1178.6-73.4-144.6137.300114.4E72 E73E72-E75 PolarHBondContact O-N 3.41Å; E73-E75 PolarHBondContact O-N 3.12Å
76E52.3Low51.7Low184 Ų184141 Ų14186%0.8674%0.741SS**THydrogen-bonded Turntrans-75.9-20.9-177.2-79.4-137.9132.200115.3A78E76-A78 VanDerWaalsContact C-N 3.28Å; E76-A78 PolarHBondContact O-N 3.15Å
77E45.5Very low50.2Low186 Ų186140.1 Ų140.187%0.86975%0.747SS**THydrogen-bonded Turntrans-79.89.8-176.9-82-133134.100115.5P79E77-P79 WeakPolarHBondContact O-CD 3.31Å
78A46.9Very low48.4Very low82 Ų82138.7 Ų138.768%0.67876%0.756SS**PPolyproline II helixtrans-76.8123-17600000114.6E76E76-A78 VanDerWaalsContact C-N 3.28Å; E76-A78 PolarHBondContact O-N 3.15Å
79P46.3Very low47.6Very low118 Ų118139 Ų13977%0.76677%0.767SS**PPolyproline II helixtrans-83.2148.5-173.831.9-36000115E77E77-P79 WeakPolarHBondContact O-CD 3.31Å
80P47.1Very low45.8Very low129 Ų129140.6 Ų140.684%0.83877%0.774SS**PPolyproline II helixtrans-83.5154.6-169.833-37.5000115.3
81T34.9Very low44.8Very low146 Ų146141.9 Ų141.990%0.89679%0.785SS**  trans-135.9148.7166.749.50000111.8
82E34.3Very low43.3Very low184 Ų184144.6 Ų144.686%0.8680%0.798SS**  trans-150166.8-164.8-132.9-153.1-13300110.8
83P57.8Low42.7Very low108 Ų108141.4 Ų141.470%0.70179%0.792SS**  -131.4177.3-79.440.8-26.9000114.1
84A27.8Very low42Very low99 Ų99139.7 Ų139.782%0.81880%0.795SS**  trans-155.1113.8164.500000116.1
85A30.2Very low41.1Very low101 Ų101136.8 Ų136.884%0.83579%0.79SS**  trans60.895.2146.700000122.4
86E35.4Very low40.4Very low186 Ų186137.4 Ų137.487%0.86979%0.792SS**  trans14.4142.6133.6-76.8-170.5-134.800122.3
87P41.3Very low39.8Very low116 Ų116135.3 Ų135.375%0.75378%0.783SS**  -147.5142.291.237-19.9000118.8
88V32.5Very low39.5Very low126 Ų126132.1 Ų132.176%0.76478%0.778SS**  trans69.6131.9147.5177.50000119.3
89P50.6Low39.8Very low108 Ų108132.6 Ų132.670%0.70178%0.782SS**  trans-97.5152-179.338.3-35.4000114.6
90E31.5Very low40.8Very low180 Ų180134.6 Ų134.684%0.84177%0.774SS**  -176.1112.8103.6-99.3-175171.600112.7
91N42.5Very low42.6Very low152 Ų152139.3 Ų139.381%0.81378%0.775SS**  trans26.894.9153.6-16512.7000118.8
92Q30.8Very low45.3Very low170 Ų170134.5 Ų134.579%0.79475%0.75SS**  trans-117.2126.7148.5-67-17212.100108.8
93S42.8Very low48.2Very low89 Ų89129.2 Ų129.262%0.62273%0.731SS**  trans-61161.8167.8-47.80000110.4V95S93-V95 PolarHBondContact O-N 2.9Å; S93-V95 VanDerWaalsContact O-N 3.09Å
94P42.9Very low50Low127 Ų127127.5 Ų127.583%0.82572%0.718SS**  trans-49.7122.5176.3-27.235.3000110.7Q96P94-Q96 PolarHBondContact O-N 2.91Å
95V36.2Very low53.3Low115 Ų115124.1 Ų124.170%0.69769%0.685SS**  trans-68.5100-178.81780000107.5S93 E97S93-V95 PolarHBondContact O-N 2.9Å; S93-V95 VanDerWaalsContact O-N 3.09Å; V95-E97 PolarHBondContact O-N 3.14Å
96Q39.3Very low56.4Low180 Ų180123.6 Ų123.684%0.84167%0.673SS**  trans-50.4126.3163.2-69.8-177.7-20.400107.6P94P94-Q96 PolarHBondContact O-N 2.91Å
97E38.6Very low59.1Low140 Ų140118 Ų11865%0.65465%0.654SS**  trans-50.9131.4175.5-73-154.8154.200108.7V95 A99 R100V95-E97 PolarHBondContact O-N 3.14Å; E97-A99 PolarHBondContact O-N 3.44Å; E97-R100 IonicContact OE2-NE 3.87Å; E97-R100 IonicContact OE2-NH2 2.77Å
98P39.9Very low61.6Low118 Ų118113.7 Ų113.777%0.76663%0.629SS**  trans-61108.4-17724-33.3000108.9R100P98-R100 PolarHBondContact O-N 3.37Å; P98-R100 VanDerWaalsContact O-N 3.1Å
99A52.6Low64.4Low93 Ų93115.9 Ų115.977%0.76963%0.631SS**  trans-41.2114.9-165.300000111.9E97 R101E97-A99 PolarHBondContact O-N 3.44Å; A99-R101 PolarHBondContact O-N 3.47Å
100R68.6Low66.5Low160 Ų160112 Ų11260%0.60461%0.608SS**  trans-54.5109.8-168-70.2-172.6-177.9-165.81.2110.2E97 P98 A102 H170E97-R100 IonicContact OE2-NE 3.87Å; E97-R100 IonicContact OE2-NH2 2.77Å; P98-R100 PolarHBondContact O-N 3.37Å; P98-R100 VanDerWaalsContact O-N 3.1Å; R100-A102 PolarHBondContact O-N 2.98Å; R100-H170 PolarHBondContact O-CD2 3.15Å; R100-H170 VanDerWaalsContact O-CD2 3.24Å
101R83.5Confident69.4Low228 Ų228104.6 Ų104.686%0.8658%0.575SS**  trans-62.3126.9-176.4179.7178.2-179.3160.21.8109.8A99 V103A99-R101 PolarHBondContact O-N 3.47Å; R101-V103 WeakPolarHBondContact O-CG1 3.18Å; R101-V103 PolarHBondContact O-N 3.4Å
102A93.1Very high71.8Confident45 Ų45100.6 Ų100.637%0.37255%0.553SS.*  trans-47.1133.1178.300000113R100 H170 N172 D173R100-A102 PolarHBondContact O-N 2.98Å; A102-H170 WeakPolarHBondContact CB-ND1 3.41Å; A102-N172 HydrophobicContact CB-CB 4.14Å; A102-D173 VanDerWaalsContact CA-OD1 3.24Å; A102-D173 WeakPolarHBondContact CA-OD1 3.41Å
103V95.3Very high74.8Confident73 Ų7393.6 Ų93.644%0.44252%0.523SS..  trans-114.6166.6-179.1-62.10000112.2R101 D173 R174R101-V103 WeakPolarHBondContact O-CG1 3.18Å; R101-V103 PolarHBondContact O-N 3.4Å; V103-D173 HydrophobicContact CG2-CB 4.5Å; V103-D173 PolarHBondContact N-OD1 2.92Å; V103-D173 WeakPolarHBondContact O-CA 3.33Å; V103-R174 PolarHBondContact O-N 3.21Å
104V95.9Very high76.8Confident72 Ų7298.8 Ų98.844%0.43653%0.534SS..BIsolated β-bridgetrans-103.9117.8161.3-173.40000106.2R174V104-R174 HydrophobicContact CG1-CB 4.26Å; V104-R174 HydrophobicContact CG2-CB 4.24Å
105H95.6Very high78.7Confident27 Ų27100.9 Ų100.913%0.12554%0.538CS..PPolyproline II helixtrans-68.6153.7176.6-73-80.9000110.2P140 F143 D173 R174 G176H105-P140 HydrophobicContact CB-CG 4.24Å; H105-F143 AromaticContact CD2-CE2 3.75Å; H105-D173 IonicContact CD2-OD2 3.89Å; H105-D173 IonicContact CE1-OD2 2.71Å; H105-D173 IonicContact NE2-OD2 3.16Å; H105-D173 PolarHBondContact NE2-OD2 2.95Å; H105-R174 PolarHBondContact N-O 3.48Å; H105-G176 WeakPolarHBondContact O-CA 3.25Å; H105-G176 PolarHBondContact O-N 2.89Å; H105-G176 VanDerWaalsContact O-N 3.17Å
106P95.3Very high81Confident91 Ų9197.6 Ų97.659%0.59151%0.514SS*.PPolyproline II helixtrans-64159.4168.728.5-34.9000110.7P140P106-P140 HydrophobicContact CG-CB 4.4Å; P106-P140 HydrophobicContact CG-CG 3.71Å; P106-P140 WeakPolarHBondContact O-CB 3.22Å
107S92.4Very high82.9Confident67 Ų6793.4 Ų93.447%0.46951%0.51SS..PPolyproline II helixtrans-78.8132.7168.7-171.70000110.2
108A94.2Very high84.8Confident26 Ų2691.7 Ų91.722%0.21550%0.501CS..  trans-120.8171.8167.300000110.6P140 E141 A144 R147A108-P140 HydrophobicContact CB-CB 3.61Å; A108-E141 HydrophobicContact CB-CG 3.8Å; A108-A144 WeakPolarHBondContact O-CB 3.26Å; A108-R147 PolarHBondContact O-NH2 2.91Å
109Q91.9Very high86.8Confident173 Ų17392.7 Ų92.781%0.80851%0.505SS*.PPolyproline II helixtrans-85.6162.7165.7-67.7-176.1-10.500109.9A144Q109-A144 WeakPolarHBondContact O-CB 3.29Å
110A92.8Very high88.4Confident26 Ų2690.5 Ų90.522%0.21548%0.478CS..PPolyproline II helixtrans-75.6128.8172.900000109A144 I145A110-A144 HydrophobicContact CB-CB 4.14Å; A110-I145 HydrophobicContact CB-CG1 4.13Å
111P94.1Very high89.5Confident24 Ų2482.9 Ų82.916%0.15645%0.449CS..PPolyproline II helixtrans-68.8137.1175.729.5-34.2000108.8F121 I131 T137 E141 I145P111-F121 VanDerWaalsContact O-CD2 3.26Å; P111-F121 WeakPolarHBondContact O-CD2 3.46Å; P111-I131 HydrophobicContact CB-CG2 3.76Å; P111-I131 HydrophobicContact CG-CG2 3.53Å; P111-T137 HydrophobicContact CG-CG2 4.1Å; P111-E141 HydrophobicContact CG-CB 4.07Å; P111-I145 HydrophobicContact CG-CD1 4.23Å
112L92.9Very high89.9Confident68 Ų6873.3 Ų73.336%0.35642%0.415SS..  trans-128.2152.9177.3-65.6176.6000109.4Y116 F120 F121L112-Y116 HydrophobicContact CD2-CD1 4.46Å; L112-F120 WeakPolarHBondContact CD2-O 3.33Å; L112-F121 HydrophobicContact CD2-CB 4.06Å; L112-F121 HydrophobicContact CD2-CD2 4.34Å
113P92Very high89.9Confident23 Ų2371.5 Ų71.515%0.14940%0.399CS..  trans-56.5158.7172-24.434.3000112.7Y116 A127 I131P113-Y116 HydrophobicContact CB-CD2 3.76Å; P113-Y116 HydrophobicContact CB-CE2 4.45Å; P113-Y116 HydrophobicContact CB-CG 4.06Å; P113-Y116 HydrophobicContact CG-CD1 4.47Å; P113-Y116 HydrophobicContact CG-CD2 3.67Å; P113-Y116 HydrophobicContact CG-CE2 3.94Å; P113-Y116 HydrophobicContact CG-CG 3.98Å; P113-Y116 WeakPolarHBondContact O-CB 3.36Å; P113-A127 HydrophobicContact CB-CB 3.98Å; P113-A127 HydrophobicContact CG-CB 3.73Å; P113-I131 HydrophobicContact CG-CD1 3.94Å
114K86.1Confident89.8Confident199 Ų19971.8 Ų71.887%0.86540%0.399SS*.THydrogen-bonded Turntrans-72139.2174.6-68.1173-175.5165.60109.7Y116K114-Y116 PolarHBondContact O-N 3.21Å; K114-Y116 VanDerWaalsContact O-N 3.16Å
115D81.9Confident89.7Confident170 Ų17070.3 Ų70.391%0.90939%0.388SS*.THydrogen-bonded Turntrans54.827.3-177.4-55.2-50.1000114.1
116Y85.8Confident89.6Confident46 Ų4673.2 Ų73.218%0.1841%0.409CS..  trans-65.2135.8-177.9-156.3-128.7000112.5L112 P113 K114 F118 D125L112-Y116 HydrophobicContact CD2-CD1 4.46Å; P113-Y116 HydrophobicContact CB-CD2 3.76Å; P113-Y116 HydrophobicContact CB-CE2 4.45Å; P113-Y116 HydrophobicContact CB-CG 4.06Å; P113-Y116 HydrophobicContact CG-CD1 4.47Å; P113-Y116 HydrophobicContact CG-CD2 3.67Å; P113-Y116 HydrophobicContact CG-CE2 3.94Å; P113-Y116 HydrophobicContact CG-CG 3.98Å; P113-Y116 WeakPolarHBondContact O-CB 3.36Å; K114-Y116 PolarHBondContact O-N 3.21Å; K114-Y116 VanDerWaalsContact O-N 3.16Å; Y116-F118 VanDerWaalsContact C-N 3.32Å; Y116-F118 HydrophobicContact CD1-CB 4.02Å; Y116-F118 WeakPolarHBondContact CD1-O 3.47Å; Y116-F118 HydrophobicContact CE1-CB 3.78Å; Y116-F118 AromaticContact CE1-CD2 3.86Å; Y116-F118 HydrophobicContact CE1-CD2 3.86Å; Y116-F118 HydrophobicContact CE1-CG 4.33Å; Y116-F118 HydrophobicContact CE2-CD2 4.45Å; Y116-F118 AromaticContact CZ-CD2 3.81Å; Y116-F118 PolarHBondContact O-N 3.03Å; Y116-D125 WeakPolarHBondContact CE2-OD2 3.39Å; Y116-D125 VanDerWaalsContact OH-CB 3.27Å; Y116-D125 WeakPolarHBondContact OH-CB 3.32Å; Y116-D125 PolarHBondContact OH-OD2 2.87Å
117A78.3Confident89.5Confident93 Ų9370.5 Ų70.577%0.76940%0.395SS*.SBendtrans-76-18.9-175.600000113.7
118F78.1Confident89.6Confident104 Ų10467.3 Ų67.346%0.45637%0.373SS..  trans-106.1150.7-177.9-55.4-72.4000112Y116 F120Y116-F118 VanDerWaalsContact C-N 3.32Å; Y116-F118 HydrophobicContact CD1-CB 4.02Å; Y116-F118 WeakPolarHBondContact CD1-O 3.47Å; Y116-F118 HydrophobicContact CE1-CB 3.78Å; Y116-F118 AromaticContact CE1-CD2 3.86Å; Y116-F118 HydrophobicContact CE1-CD2 3.86Å; Y116-F118 HydrophobicContact CE1-CG 4.33Å; Y116-F118 HydrophobicContact CE2-CD2 4.45Å; Y116-F118 AromaticContact CZ-CD2 3.81Å; Y116-F118 PolarHBondContact O-N 3.03Å; F118-F120 VanDerWaalsContact C-N 3.31Å; F118-F120 HydrophobicContact CB-CD1 4.06Å; F118-F120 HydrophobicContact CB-CE1 3.88Å; F118-F120 HydrophobicContact CB-CZ 4.18Å; F118-F120 AromaticContact CD1-CE1 3.85Å; F118-F120 HydrophobicContact CD1-CE1 3.85Å; F118-F120 AromaticContact CD1-CZ 3.99Å; F118-F120 HydrophobicContact CD1-CZ 3.99Å; F118-F120 HydrophobicContact CG-CE1 4.11Å; F118-F120 HydrophobicContact CG-CZ 4.11Å
119T82.6Confident89.7Confident139 Ų13970.4 Ų70.485%0.85338%0.383SS*.SBendtrans-94.615177.560.70000112.9
120F86.2Confident89.8Confident46 Ų4669.1 Ų69.120%0.20238%0.377CS..SBendtrans-139.1161.3-178.765.5-94.9000108.8L112 F118 D122 Q148 V150L112-F120 WeakPolarHBondContact CD2-O 3.33Å; F118-F120 VanDerWaalsContact C-N 3.31Å; F118-F120 HydrophobicContact CB-CD1 4.06Å; F118-F120 HydrophobicContact CB-CE1 3.88Å; F118-F120 HydrophobicContact CB-CZ 4.18Å; F118-F120 AromaticContact CD1-CE1 3.85Å; F118-F120 HydrophobicContact CD1-CE1 3.85Å; F118-F120 AromaticContact CD1-CZ 3.99Å; F118-F120 HydrophobicContact CD1-CZ 3.99Å; F118-F120 HydrophobicContact CG-CE1 4.11Å; F118-F120 HydrophobicContact CG-CZ 4.11Å; F120-D122 HydrophobicContact CE2-CB 4.23Å; F120-Q148 VanDerWaalsContact CB-OE1 3.31Å; F120-V150 HydrophobicContact CB-CG1 4.27Å; F120-V150 HydrophobicContact CD2-CG1 4.46Å; F120-V150 HydrophobicContact CD2-CG2 4.05Å; F120-V150 HydrophobicContact CG-CG1 4.26Å
121F91.3Very high89.9Confident0 Ų069.4 Ų69.40%037%0.374CS..  trans-89.6131179-173.4-90.8000109.5P111 L112 P123 C128 I131 L132 I145 V153P111-F121 VanDerWaalsContact O-CD2 3.26Å; P111-F121 WeakPolarHBondContact O-CD2 3.46Å; L112-F121 HydrophobicContact CD2-CB 4.06Å; L112-F121 HydrophobicContact CD2-CD2 4.34Å; F121-P123 HydrophobicContact CD1-CG 3.95Å; F121-P123 HydrophobicContact CE1-CB 4.34Å; F121-P123 HydrophobicContact CE1-CG 3.99Å; F121-C128 HydrophobicContact CD1-CB 4.43Å; F121-C128 HydrophobicContact CD2-CB 4.06Å; F121-C128 HydrophobicContact CE1-CB 4.07Å; F121-C128 HydrophobicContact CE2-CB 3.67Å; F121-C128 HydrophobicContact CG-CB 4.45Å; F121-C128 HydrophobicContact CZ-CB 3.69Å; F121-C128 WeakPolarHBondContact CZ-O 3.49Å; F121-I131 HydrophobicContact CE2-CB 4.19Å; F121-I131 HydrophobicContact CE2-CG2 3.94Å; F121-L132 HydrophobicContact CZ-CB 4.21Å; F121-I145 HydrophobicContact CB-CG1 4.22Å; F121-I145 HydrophobicContact CB-CG2 4.26Å; F121-I145 HydrophobicContact CD1-CB 4.46Å; F121-I145 HydrophobicContact CD1-CD1 3.98Å; F121-I145 HydrophobicContact CD1-CG1 4.08Å; F121-I145 HydrophobicContact CD1-CG2 3.52Å; F121-I145 HydrophobicContact CD2-CD1 3.84Å; F121-I145 HydrophobicContact CD2-CG1 4.05Å; F121-I145 HydrophobicContact CE1-CD1 3.8Å; F121-I145 HydrophobicContact CE1-CG1 4.41Å; F121-I145 HydrophobicContact CE1-CG2 4.02Å; F121-I145 HydrophobicContact CE2-CD1 3.65Å; F121-I145 HydrophobicContact CE2-CG1 4.38Å; F121-I145 HydrophobicContact CG-CD1 3.98Å; F121-I145 HydrophobicContact CG-CG1 3.87Å; F121-I145 HydrophobicContact CG-CG2 4.02Å; F121-I145 HydrophobicContact CZ-CD1 3.61Å; F121-V153 WeakPolarHBondContact O-CG2 3.45Å
122D93Very high90Very high27 Ų2768.8 Ų68.814%0.14437%0.37CS..  trans-114.8104.2177.6-168.2-23.5000109.8F120 N124 D125 C128 Q152F120-D122 HydrophobicContact CE2-CB 4.23Å; D122-N124 PolarHBondContact O-N 3.46Å; D122-N124 WeakPolarHBondContact OD1-CB 3.25Å; D122-N124 PolarHBondContact OD1-N 3.25Å; D122-N124 PolarHBondContact OD1-ND2 2.88Å; D122-D125 HydrophobicContact CB-CB 4.07Å; D122-D125 WeakPolarHBondContact O-CB 3.48Å; D122-D125 PolarHBondContact O-N 3.17Å; D122-C128 WeakPolarHBondContact O-CB 3.14Å; D122-Q152 WeakPolarHBondContact OD1-CB 3.26Å; D122-Q152 WeakPolarHBondContact OD2-CG 3.5Å
123P92.9Very high90.1Very high7 Ų768.7 Ų68.75%0.04538%0.379CS..THydrogen-bonded Turntrans-64.2-2.4179.6-19.732000115.1F121 Q129 Q152 V153 K156 I160F121-P123 HydrophobicContact CD1-CG 3.95Å; F121-P123 HydrophobicContact CE1-CB 4.34Å; F121-P123 HydrophobicContact CE1-CG 3.99Å; P123-Q129 VanDerWaalsContact O-CG 3.23Å; P123-Q129 WeakPolarHBondContact O-CG 3.46Å; P123-Q129 PolarHBondContact O-NE2 2.74Å; P123-Q152 WeakPolarHBondContact CD-O 2.99Å; P123-Q152 WeakPolarHBondContact CG-O 3.26Å; P123-V153 HydrophobicContact CG-CG2 4.25Å; P123-K156 HydrophobicContact CB-CB 4.02Å; P123-K156 HydrophobicContact CB-CG 4.13Å; P123-K156 HydrophobicContact CG-CB 4.21Å; P123-I160 HydrophobicContact CG-CD1 3.87Å
124N91.8Very high90.3Very high80 Ų8069.4 Ų69.443%0.42838%0.381SS..THydrogen-bonded Turntrans-99-7.9175-43.6-80.8000112D122 K156D122-N124 PolarHBondContact O-N 3.46Å; D122-N124 WeakPolarHBondContact OD1-CB 3.25Å; D122-N124 PolarHBondContact OD1-N 3.25Å; D122-N124 PolarHBondContact OD1-ND2 2.88Å; N124-K156 VanDerWaalsContact OD1-CE 3.32Å; N124-K156 WeakPolarHBondContact OD1-CE 3.47Å
125D93.8Very high90.6Very high40 Ų4065.6 Ų65.621%0.21438%0.376CS..SBendtrans-84.4127.9173.9178.7-72.1000110.6Y116 D122 A127 C128 Q129Y116-D125 WeakPolarHBondContact CE2-OD2 3.39Å; Y116-D125 VanDerWaalsContact OH-CB 3.27Å; Y116-D125 WeakPolarHBondContact OH-CB 3.32Å; Y116-D125 PolarHBondContact OH-OD2 2.87Å; D122-D125 HydrophobicContact CB-CB 4.07Å; D122-D125 WeakPolarHBondContact O-CB 3.48Å; D122-D125 PolarHBondContact O-N 3.17Å; D125-A127 VanDerWaalsContact C-N 3.31Å; D125-A127 PolarHBondContact O-N 2.78Å; D125-A127 WeakPolarHBondContact OD1-CA 3.2Å; D125-A127 WeakPolarHBondContact OD1-CB 3.34Å; D125-A127 PolarHBondContact OD1-N 3.05Å; D125-C128 HydrophobicContact CB-CB 4.08Å; D125-C128 CarbonylContact O-C 3.35Å; D125-C128 WeakPolarHBondContact O-CA 3.42Å; D125-C128 WeakPolarHBondContact O-CB 3.13Å; D125-C128 PolarHBondContact O-N 3.2Å; D125-C128 PolarHBondContact OD1-N 2.99Å; D125-Q129 WeakPolarHBondContact O-CG 3.43Å; D125-Q129 PolarHBondContact O-N 2.72Å
126P94.1Very high91.3Very high88 Ų8867.3 Ų67.357%0.57137%0.37SS*.Hα-helixtrans-57.5-36.2-176.9-28.936.2000114.9C128 Q129 E130P126-C128 VanDerWaalsContact C-N 3.33Å; P126-Q129 WeakPolarHBondContact O-CB 3.3Å; P126-Q129 PolarHBondContact O-N 2.75Å; P126-E130 PolarHBondContact O-N 2.94Å
127A93.6Very high91.8Very high35 Ų3565.7 Ų65.729%0.28937%0.365SS..Hα-helixtrans-75-25.317900000112P113 D125 I131P113-A127 HydrophobicContact CB-CB 3.98Å; P113-A127 HydrophobicContact CG-CB 3.73Å; D125-A127 VanDerWaalsContact C-N 3.31Å; D125-A127 PolarHBondContact O-N 2.78Å; D125-A127 WeakPolarHBondContact OD1-CA 3.2Å; D125-A127 WeakPolarHBondContact OD1-CB 3.34Å; D125-A127 PolarHBondContact OD1-N 3.05Å; A127-I131 WeakPolarHBondContact O-CD1 3.44Å; A127-I131 WeakPolarHBondContact O-CG1 3.36Å; A127-I131 PolarHBondContact O-N 3.29Å
128C95Very high92.7Very high0 Ų063.3 Ų63.30%034%0.343CS..Hα-helixtrans-75.3-35.4167-66.30000111.7F121 D122 D125 P126 I131 L132F121-C128 HydrophobicContact CD1-CB 4.43Å; F121-C128 HydrophobicContact CD2-CB 4.06Å; F121-C128 HydrophobicContact CE1-CB 4.07Å; F121-C128 HydrophobicContact CE2-CB 3.67Å; F121-C128 HydrophobicContact CG-CB 4.45Å; F121-C128 HydrophobicContact CZ-CB 3.69Å; F121-C128 WeakPolarHBondContact CZ-O 3.49Å; D122-C128 WeakPolarHBondContact O-CB 3.14Å; D125-C128 HydrophobicContact CB-CB 4.08Å; D125-C128 CarbonylContact O-C 3.35Å; D125-C128 WeakPolarHBondContact O-CA 3.42Å; D125-C128 WeakPolarHBondContact O-CB 3.13Å; D125-C128 PolarHBondContact O-N 3.2Å; D125-C128 PolarHBondContact OD1-N 2.99Å; P126-C128 VanDerWaalsContact C-N 3.33Å; C128-I131 WeakPolarHBondContact O-CB 3.37Å; C128-I131 PolarHBondContact O-N 3.08Å; C128-L132 PolarHBondContact O-N 3.2Å
129Q94.8Very high93.6Very high91 Ų9159.4 Ų59.443%0.42533%0.326SS..Hα-helixtrans-64.8-40.6174.3-70.1174.2-5.700112.3P123 D125 P126 I131 L132 A133P123-Q129 VanDerWaalsContact O-CG 3.23Å; P123-Q129 WeakPolarHBondContact O-CG 3.46Å; P123-Q129 PolarHBondContact O-NE2 2.74Å; D125-Q129 WeakPolarHBondContact O-CG 3.43Å; D125-Q129 PolarHBondContact O-N 2.72Å; P126-Q129 WeakPolarHBondContact O-CB 3.3Å; P126-Q129 PolarHBondContact O-N 2.75Å; Q129-I131 VanDerWaalsContact C-N 3.29Å; Q129-I131 PolarHBondContact O-N 3.17Å; Q129-L132 PolarHBondContact O-N 2.84Å; Q129-L132 VanDerWaalsContact O-N 3.14Å; Q129-A133 WeakPolarHBondContact O-CB 3.33Å; Q129-A133 PolarHBondContact O-N 3.45Å
130E95Very high94.3Very high146 Ų14653.6 Ų53.668%0.68229%0.291SS*.Hα-helixtrans-53.7-45.6169.6-76.3179.9-16100111.5P126 A133 D134P126-E130 PolarHBondContact O-N 2.94Å; E130-A133 PolarHBondContact O-N 3.25Å; E130-D134 WeakPolarHBondContact O-CB 3.46Å; E130-D134 PolarHBondContact O-N 2.98Å
131I95.6Very high94.9Very high32 Ų3254.2 Ų54.216%0.16430%0.295CS..Hα-helixtrans-66.3-37.7177.7-68.4168.1000111.9P111 P113 F121 A127 C128 Q129 T137P111-I131 HydrophobicContact CB-CG2 3.76Å; P111-I131 HydrophobicContact CG-CG2 3.53Å; P113-I131 HydrophobicContact CG-CD1 3.94Å; F121-I131 HydrophobicContact CE2-CB 4.19Å; F121-I131 HydrophobicContact CE2-CG2 3.94Å; A127-I131 WeakPolarHBondContact O-CD1 3.44Å; A127-I131 WeakPolarHBondContact O-CG1 3.36Å; A127-I131 PolarHBondContact O-N 3.29Å; C128-I131 WeakPolarHBondContact O-CB 3.37Å; C128-I131 PolarHBondContact O-N 3.08Å; Q129-I131 VanDerWaalsContact C-N 3.29Å; Q129-I131 PolarHBondContact O-N 3.17Å; I131-T137 HydrophobicContact CG2-CG2 4.36Å; I131-T137 VanDerWaalsContact O-CB 3.31Å; I131-T137 WeakPolarHBondContact O-CB 3.43Å; I131-T137 PolarHBondContact O-OG1 2.97Å
132L95.3Very high95.2Very high11 Ų1154.2 Ų54.26%0.05830%0.295CS..Hα-helixtrans-68.2-38.7178-175.756000111.7F121 C128 Q129 L142 V159 I160 E163 R167F121-L132 HydrophobicContact CZ-CB 4.21Å; C128-L132 PolarHBondContact O-N 3.2Å; Q129-L132 PolarHBondContact O-N 2.84Å; Q129-L132 VanDerWaalsContact O-N 3.14Å; L132-L142 HydrophobicContact CD1-CD2 3.63Å; L132-V159 HydrophobicContact CD2-CG1 4.19Å; L132-I160 HydrophobicContact CD1-CG1 4.33Å; L132-I160 HydrophobicContact CD1-CG2 4.25Å; L132-I160 HydrophobicContact CD2-CG1 4.14Å; L132-E163 HydrophobicContact CD1-CB 4.04Å; L132-E163 HydrophobicContact CD1-CG 4.23Å; L132-E163 HydrophobicContact CG-CG 4.23Å; L132-R167 PolarHBondContact O-NH2 3.29Å
133A94.3Very high95.4Very high66 Ų6653 Ų5355%0.54529%0.288SS..Hα-helixtrans-78-26.6178.800000113.8Q129 E130 P135Q129-A133 WeakPolarHBondContact O-CB 3.33Å; Q129-A133 PolarHBondContact O-N 3.45Å; E130-A133 PolarHBondContact O-N 3.25Å; A133-P135 VanDerWaalsContact O-CD 3.25Å; A133-P135 WeakPolarHBondContact O-CD 3.17Å
134D95.9Very high95.5Very high38 Ų3852.8 Ų52.820%0.20329%0.287CS..  trans-59.8117-178.7-173.3-14.9000111.9E130 R136 T137 R167E130-D134 WeakPolarHBondContact O-CB 3.46Å; E130-D134 PolarHBondContact O-N 2.98Å; D134-R136 PolarHBondContact O-N 3.22Å; D134-R136 WeakPolarHBondContact OD1-CB 3.16Å; D134-R136 VanDerWaalsContact OD1-CG 3.25Å; D134-R136 WeakPolarHBondContact OD1-CG 3.49Å; D134-R136 IonicContact OD1-CZ 3.18Å; D134-R136 PolarHBondContact OD1-N 3.34Å; D134-R136 IonicContact OD1-NE 2.74Å; D134-R136 PolarHBondContact OD1-NE 3.41Å; D134-R136 IonicContact OD1-NH2 2.81Å; D134-R136 IonicContact OD2-CZ 3.2Å; D134-R136 IonicContact OD2-NE 2.68Å; D134-R136 PolarHBondContact OD2-NE 3.1Å; D134-R136 IonicContact OD2-NH2 3.87Å; D134-R136 PolarHBondContact OD2-NH2 3.46Å; D134-T137 WeakPolarHBondContact O-CB 3.34Å; D134-T137 PolarHBondContact O-N 2.97Å; D134-R167 PolarHBondContact O-NH2 3.28Å
135P94.3Very high95.7Very high118 Ų11849 Ų4977%0.76627%0.267SS*.THydrogen-bonded Turntrans-61-15.4178.9-24.535.6000114.3A133A133-P135 VanDerWaalsContact O-CD 3.25Å; A133-P135 WeakPolarHBondContact O-CD 3.17Å
136R94.9Very high95.8Very high207 Ų20747.1 Ų47.178%0.78126%0.257SS*.THydrogen-bonded Turntrans-78.2-23.6176.2-57.2173.1-64.6-171.52.6112.9D134 S138D134-R136 PolarHBondContact O-N 3.22Å; D134-R136 WeakPolarHBondContact OD1-CB 3.16Å; D134-R136 VanDerWaalsContact OD1-CG 3.25Å; D134-R136 WeakPolarHBondContact OD1-CG 3.49Å; D134-R136 IonicContact OD1-CZ 3.18Å; D134-R136 PolarHBondContact OD1-N 3.34Å; D134-R136 IonicContact OD1-NE 2.74Å; D134-R136 PolarHBondContact OD1-NE 3.41Å; D134-R136 IonicContact OD1-NH2 2.81Å; D134-R136 IonicContact OD2-CZ 3.2Å; D134-R136 IonicContact OD2-NE 2.68Å; D134-R136 PolarHBondContact OD2-NE 3.1Å; D134-R136 IonicContact OD2-NH2 3.87Å; D134-R136 PolarHBondContact OD2-NH2 3.46Å; R136-S138 PolarHBondContact O-N 3.28Å
137T96.7Very high95.8Very high12 Ų1244.1 Ų44.17%0.07423%0.234CC..SBendtrans-64.1121.4174.9-61.30000108.7P111 I131 D134 E141 L142 R167P111-T137 HydrophobicContact CG-CG2 4.1Å; I131-T137 HydrophobicContact CG2-CG2 4.36Å; I131-T137 VanDerWaalsContact O-CB 3.31Å; I131-T137 WeakPolarHBondContact O-CB 3.43Å; I131-T137 PolarHBondContact O-OG1 2.97Å; D134-T137 WeakPolarHBondContact O-CB 3.34Å; D134-T137 PolarHBondContact O-N 2.97Å; T137-E141 HydrophobicContact CG2-CB 4.11Å; T137-L142 HydrophobicContact CG2-CD2 3.69Å; T137-L142 HydrophobicContact CG2-CG 4.08Å; T137-R167 VanDerWaalsContact O-CD 3.3Å; T137-R167 WeakPolarHBondContact O-CD 3.34Å; T137-R167 PolarHBondContact O-NE 3.26Å
138S97.4Very high95.6Very high43 Ų4344 Ų4430%0.30123%0.227SC..  trans-86.4157.5-167.970.90000113.1R136 P140 E141 L142R136-S138 PolarHBondContact O-N 3.28Å; S138-P140 VanDerWaalsContact C-N 3.33Å; S138-E141 WeakPolarHBondContact CB-OE2 3.1Å; S138-E141 PolarHBondContact N-OE2 3.18Å; S138-E141 WeakPolarHBondContact O-CA 3.4Å; S138-E141 WeakPolarHBondContact O-CB 3.31Å; S138-E141 PolarHBondContact O-N 3.29Å; S138-E141 WeakPolarHBondContact OG-CG 3.27Å; S138-E141 PolarHBondContact OG-OE2 3.01Å; S138-L142 WeakPolarHBondContact O-CG 3.27Å; S138-L142 PolarHBondContact O-N 3.37Å
139I97.5Very high95.4Very high21 Ų2144.6 Ų44.611%0.10823%0.23CC..Hα-helixtrans-52.5-43.2173.9-67.7158.7000112.7E141 L142 F143 I164 R167 C169I139-E141 VanDerWaalsContact C-N 3.32Å; I139-E141 PolarHBondContact O-N 3.18Å; I139-L142 PolarHBondContact O-N 2.95Å; I139-F143 HydrophobicContact CG2-CD2 3.61Å; I139-F143 HydrophobicContact CG2-CE2 3.53Å; I139-F143 WeakPolarHBondContact O-CD2 3.36Å; I139-F143 PolarHBondContact O-N 2.81Å; I139-I164 HydrophobicContact CG2-CG2 4.13Å; I139-R167 HydrophobicContact CD1-CB 4.02Å; I139-R167 HydrophobicContact CG1-CB 3.85Å; I139-C169 HydrophobicContact CD1-CB 3.71Å; I139-C169 HydrophobicContact CG1-CB 4.12Å; I139-C169 HydrophobicContact CG2-CB 4.15Å
140P97.6Very high95Very high17 Ų1741.7 Ų41.711%0.1122%0.218CC..Hα-helixtrans-51-41.6168.2-31.635.3000115.8H105 P106 A108 S138 A144H105-P140 HydrophobicContact CB-CG 4.24Å; P106-P140 HydrophobicContact CG-CB 4.4Å; P106-P140 HydrophobicContact CG-CG 3.71Å; P106-P140 WeakPolarHBondContact O-CB 3.22Å; A108-P140 HydrophobicContact CB-CB 3.61Å; S138-P140 VanDerWaalsContact C-N 3.33Å; P140-A144 WeakPolarHBondContact O-CB 3.47Å; P140-A144 PolarHBondContact O-N 3.34Å
141E97.4Very high94.7Very high60 Ų6037.2 Ų37.228%0.2820%0.202SC..Hα-helixtrans-74.1-38.2-178.1-78.7164.1132.300111.4A108 P111 T137 S138 I139 A144 I145A108-E141 HydrophobicContact CB-CG 3.8Å; P111-E141 HydrophobicContact CG-CB 4.07Å; T137-E141 HydrophobicContact CG2-CB 4.11Å; S138-E141 WeakPolarHBondContact CB-OE2 3.1Å; S138-E141 PolarHBondContact N-OE2 3.18Å; S138-E141 WeakPolarHBondContact O-CA 3.4Å; S138-E141 WeakPolarHBondContact O-CB 3.31Å; S138-E141 PolarHBondContact O-N 3.29Å; S138-E141 WeakPolarHBondContact OG-CG 3.27Å; S138-E141 PolarHBondContact OG-OE2 3.01Å; I139-E141 VanDerWaalsContact C-N 3.32Å; I139-E141 PolarHBondContact O-N 3.18Å; E141-A144 CarbonylContact O-C 3.56Å; E141-A144 WeakPolarHBondContact O-CA 3.33Å; E141-A144 WeakPolarHBondContact O-CB 3.46Å; E141-A144 PolarHBondContact O-N 3.02Å; E141-A144 VanDerWaalsContact O-N 3.15Å; E141-I145 PolarHBondContact O-N 3.05Å
142L97.8Very high94.5Very high0 Ų038.6 Ų38.60%021%0.207CC..Hα-helixtrans-67.8-38.7171.8-60177000112L132 T137 S138 I139 A144 I145 V146 I164L132-L142 HydrophobicContact CD1-CD2 3.63Å; T137-L142 HydrophobicContact CG2-CD2 3.69Å; T137-L142 HydrophobicContact CG2-CG 4.08Å; S138-L142 WeakPolarHBondContact O-CG 3.27Å; S138-L142 PolarHBondContact O-N 3.37Å; I139-L142 PolarHBondContact O-N 2.95Å; L142-A144 VanDerWaalsContact C-N 3.25Å; L142-A144 PolarHBondContact O-N 3.33Å; L142-I145 HydrophobicContact CD2-CD1 4.16Å; L142-I145 WeakPolarHBondContact O-CB 3.41Å; L142-I145 PolarHBondContact O-N 3.06Å; L142-I145 VanDerWaalsContact O-N 3.15Å; L142-V146 PolarHBondContact O-N 2.76Å; L142-V146 VanDerWaalsContact O-N 3.12Å; L142-I164 HydrophobicContact CB-CD1 3.71Å; L142-I164 HydrophobicContact CB-CG1 3.35Å; L142-I164 HydrophobicContact CD1-CB 4.46Å; L142-I164 HydrophobicContact CD1-CG1 3.61Å; L142-I164 HydrophobicContact CG-CG1 4.13Å
143F97.2Very high94.4Very high0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-59.6-38.6168.4-88.3-59.4000111.3H105 I139 I145 V146 R147 I164 D175 L182 Y185H105-F143 AromaticContact CD2-CE2 3.75Å; I139-F143 HydrophobicContact CG2-CD2 3.61Å; I139-F143 HydrophobicContact CG2-CE2 3.53Å; I139-F143 WeakPolarHBondContact O-CD2 3.36Å; I139-F143 PolarHBondContact O-N 2.81Å; F143-I145 VanDerWaalsContact C-N 3.29Å; F143-I145 PolarHBondContact O-N 3.21Å; F143-V146 HydrophobicContact CD1-CG2 4.19Å; F143-V146 WeakPolarHBondContact O-CG2 3.43Å; F143-V146 PolarHBondContact O-N 3.45Å; F143-R147 WeakPolarHBondContact O-CG 3.49Å; F143-R147 PolarHBondContact O-N 2.87Å; F143-R147 VanDerWaalsContact O-N 3.15Å; F143-I164 HydrophobicContact CE2-CG2 4.5Å; F143-D175 HydrophobicContact CB-CB 4.11Å; F143-D175 HydrophobicContact CD1-CB 3.78Å; F143-D175 HydrophobicContact CD2-CB 4.5Å; F143-D175 HydrophobicContact CE1-CB 4.3Å; F143-D175 HydrophobicContact CG-CB 3.89Å; F143-L182 HydrophobicContact CE1-CD2 3.84Å; F143-L182 HydrophobicContact CE1-CG 4.12Å; F143-L182 HydrophobicContact CZ-CD2 4.28Å; F143-L182 HydrophobicContact CZ-CG 4.2Å; F143-Y185 HydrophobicContact CD1-CD2 4.28Å; F143-Y185 AromaticContact CD1-CE2 3.85Å; F143-Y185 HydrophobicContact CD1-CE2 3.85Å; F143-Y185 HydrophobicContact CE1-CD2 4.21Å; F143-Y185 HydrophobicContact CE1-CE2 4.04Å
144A95.7Very high94.4Very high4 Ų434.9 Ų34.93%0.03318%0.179CC..Hα-helixtrans-66.8-27.5175.800000113.8A108 Q109 A110 P140 E141 L142 R147A108-A144 WeakPolarHBondContact O-CB 3.26Å; Q109-A144 WeakPolarHBondContact O-CB 3.29Å; A110-A144 HydrophobicContact CB-CB 4.14Å; P140-A144 WeakPolarHBondContact O-CB 3.47Å; P140-A144 PolarHBondContact O-N 3.34Å; E141-A144 CarbonylContact O-C 3.56Å; E141-A144 WeakPolarHBondContact O-CA 3.33Å; E141-A144 WeakPolarHBondContact O-CB 3.46Å; E141-A144 PolarHBondContact O-N 3.02Å; E141-A144 VanDerWaalsContact O-N 3.15Å; L142-A144 VanDerWaalsContact C-N 3.25Å; L142-A144 PolarHBondContact O-N 3.33Å; A144-R147 VanDerWaalsContact CB-NH2 3.28Å
145I96.3Very high94.4Very high0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-67.9-57.7169.1-66.8164000110.1A110 P111 F121 E141 L142 F143 R147 Q148 V153 I160A110-I145 HydrophobicContact CB-CG1 4.13Å; P111-I145 HydrophobicContact CG-CD1 4.23Å; F121-I145 HydrophobicContact CB-CG1 4.22Å; F121-I145 HydrophobicContact CB-CG2 4.26Å; F121-I145 HydrophobicContact CD1-CB 4.46Å; F121-I145 HydrophobicContact CD1-CD1 3.98Å; F121-I145 HydrophobicContact CD1-CG1 4.08Å; F121-I145 HydrophobicContact CD1-CG2 3.52Å; F121-I145 HydrophobicContact CD2-CD1 3.84Å; F121-I145 HydrophobicContact CD2-CG1 4.05Å; F121-I145 HydrophobicContact CE1-CD1 3.8Å; F121-I145 HydrophobicContact CE1-CG1 4.41Å; F121-I145 HydrophobicContact CE1-CG2 4.02Å; F121-I145 HydrophobicContact CE2-CD1 3.65Å; F121-I145 HydrophobicContact CE2-CG1 4.38Å; F121-I145 HydrophobicContact CG-CD1 3.98Å; F121-I145 HydrophobicContact CG-CG1 3.87Å; F121-I145 HydrophobicContact CG-CG2 4.02Å; F121-I145 HydrophobicContact CZ-CD1 3.61Å; E141-I145 PolarHBondContact O-N 3.05Å; L142-I145 HydrophobicContact CD2-CD1 4.16Å; L142-I145 WeakPolarHBondContact O-CB 3.41Å; L142-I145 PolarHBondContact O-N 3.06Å; L142-I145 VanDerWaalsContact O-N 3.15Å; F143-I145 VanDerWaalsContact C-N 3.29Å; F143-I145 PolarHBondContact O-N 3.21Å; I145-R147 PolarHBondContact O-N 3.42Å; I145-Q148 VanDerWaalsContact O-CB 3.29Å; I145-Q148 WeakPolarHBondContact O-CB 3.39Å; I145-Q148 WeakPolarHBondContact O-CG 3.45Å; I145-Q148 PolarHBondContact O-N 3.42Å; I145-V153 HydrophobicContact CG2-CG1 3.99Å; I145-V153 HydrophobicContact CG2-CG2 4.13Å; I145-V153 WeakPolarHBondContact O-CG1 3.05Å; I145-I160 HydrophobicContact CG2-CD1 3.97Å; I145-I160 HydrophobicContact CG2-CG2 4.46Å
146V95.9Very high94.4Very high0 Ų035.6 Ų35.60%017%0.169CC..Hα-helixtrans-64.7-16.6-175.1-560000114.6L142 F143 Q148 I157 I160 I164 Y185 K188L142-V146 PolarHBondContact O-N 2.76Å; L142-V146 VanDerWaalsContact O-N 3.12Å; F143-V146 HydrophobicContact CD1-CG2 4.19Å; F143-V146 WeakPolarHBondContact O-CG2 3.43Å; F143-V146 PolarHBondContact O-N 3.45Å; V146-Q148 VanDerWaalsContact C-N 3.3Å; V146-Q148 PolarHBondContact O-N 2.93Å; V146-I157 HydrophobicContact CB-CD1 3.85Å; V146-I157 HydrophobicContact CG1-CD1 3.65Å; V146-I160 HydrophobicContact CG1-CB 4.03Å; V146-I160 HydrophobicContact CG1-CD1 4.42Å; V146-I160 HydrophobicContact CG1-CG2 3.49Å; V146-I160 VanDerWaalsContact CG1-CG2 3.49Å; V146-I164 HydrophobicContact CG1-CD1 4.43Å; V146-Y185 HydrophobicContact CB-CD1 4.28Å; V146-Y185 HydrophobicContact CB-CG 4.42Å; V146-Y185 HydrophobicContact CG2-CD1 3.82Å; V146-Y185 HydrophobicContact CG2-CD2 3.99Å; V146-Y185 HydrophobicContact CG2-CE1 4.07Å; V146-Y185 HydrophobicContact CG2-CE2 4.22Å; V146-Y185 HydrophobicContact CG2-CG 3.78Å; V146-K188 PolarHBondContact O-NZ 3.43Å
147R92.8Very high94.6Very high26 Ų2625.8 Ų25.810%0.09813%0.132CC..THydrogen-bonded Turntrans-61.5-34.7168.3-78.3-174.3-39.8-135.49.9113A108 F143 A144 I145 D175 T178 Y185 K188 M603A108-R147 PolarHBondContact O-NH2 2.91Å; F143-R147 WeakPolarHBondContact O-CG 3.49Å; F143-R147 PolarHBondContact O-N 2.87Å; F143-R147 VanDerWaalsContact O-N 3.15Å; A144-R147 VanDerWaalsContact CB-NH2 3.28Å; I145-R147 PolarHBondContact O-N 3.42Å; R147-D175 WeakPolarHBondContact CD-OD2 3.43Å; R147-D175 IonicContact CZ-OD1 3.4Å; R147-D175 IonicContact NH1-OD1 2.77Å; R147-D175 PolarHBondContact NH1-OD1 2.93Å; R147-D175 IonicContact NH1-OD2 2.83Å; R147-T178 HydrophobicContact CG-CG2 4.41Å; R147-Y185 HydrophobicContact CG-CE1 3.89Å; R147-Y185 WeakPolarHBondContact CG-OH 3.34Å; R147-K188 PolarHBondContact O-NZ 3.3Å; R147-M603 VanDerWaalsContact O-CE 3.27Å; R147-M603 WeakPolarHBondContact O-CE 3.16Å
148Q91.1Very high94.6Very high31 Ų3126 Ų2615%0.14513%0.132CC..  trans-59.4142-178-58.4-178.83000111F120 I145 V146 V150 V153 Q154 K188F120-Q148 VanDerWaalsContact CB-OE1 3.31Å; I145-Q148 VanDerWaalsContact O-CB 3.29Å; I145-Q148 WeakPolarHBondContact O-CB 3.39Å; I145-Q148 WeakPolarHBondContact O-CG 3.45Å; I145-Q148 PolarHBondContact O-N 3.42Å; V146-Q148 VanDerWaalsContact C-N 3.3Å; V146-Q148 PolarHBondContact O-N 2.93Å; Q148-V150 HydrophobicContact CB-CG2 4.33Å; Q148-V153 HydrophobicContact CB-CG2 4.42Å; Q148-Q154 PolarHBondContact O-NE2 3.43Å; Q148-K188 PolarHBondContact O-NZ 2.95Å
149W89.1Confident94.6Very high14 Ų1427.1 Ų27.15%0.05314%0.138CC..  trans-112.765.7-177.5-169.1-130.4000109.4Q154 K188 A191 V194 F232 L595 F596 W599W149-Q154 HydrophobicContact CE3-CG 3.64Å; W149-Q154 HydrophobicContact CZ3-CG 3.79Å; W149-K188 HydrophobicContact CE3-CD 4.28Å; W149-K188 HydrophobicContact CE3-CG 4.07Å; W149-K188 HydrophobicContact CH2-CG 4.06Å; W149-K188 WeakPolarHBondContact CH2-O 3.18Å; W149-K188 HydrophobicContact CZ3-CD 4.21Å; W149-K188 HydrophobicContact CZ3-CG 3.51Å; W149-K188 WeakPolarHBondContact CZ3-O 3.28Å; W149-A191 HydrophobicContact CH2-CB 3.58Å; W149-A191 HydrophobicContact CZ2-CB 4.21Å; W149-V194 HydrophobicContact CD2-CG1 3.77Å; W149-V194 HydrophobicContact CE3-CG1 3.85Å; W149-V194 HydrophobicContact CG-CG1 4.41Å; W149-V194 HydrophobicContact CH2-CB 4.23Å; W149-V194 HydrophobicContact CH2-CG1 4.2Å; W149-V194 HydrophobicContact CZ2-CB 4.07Å; W149-V194 HydrophobicContact CZ2-CG1 4.02Å; W149-V194 HydrophobicContact CZ2-CG2 4.27Å; W149-V194 HydrophobicContact CZ3-CG1 4.07Å; W149-F232 AromaticContact CH2-CD1 3.96Å; W149-F232 HydrophobicContact CH2-CD1 3.96Å; W149-F232 AromaticContact CH2-CE1 3.64Å; W149-F232 HydrophobicContact CH2-CE1 3.64Å; W149-F232 HydrophobicContact CH2-CZ 4.29Å; W149-F232 HydrophobicContact CZ2-CD1 4.12Å; W149-F232 AromaticContact CZ2-CE1 3.6Å; W149-F232 HydrophobicContact CZ2-CE1 3.6Å; W149-F232 HydrophobicContact CZ2-CZ 4.46Å; W149-L595 HydrophobicContact CZ2-CB 4.48Å; W149-F596 AromaticContact CD1-CD2 3.42Å; W149-F596 VanDerWaalsContact CD1-CD2 3.42Å; W149-F596 HydrophobicContact CG-CD2 4.45Å; W149-W599 AromaticContact CD1-CD1 3.9Å; W149-W599 AromaticContact CG-CD1 3.68Å; W149-W599 HydrophobicContact CG-CG 4.33Å
150V87.9Confident94.6Very high30 Ų3026.1 Ų26.118%0.18213%0.133CC..SBendtrans-129.6140.2178.8-600000108.5F120 Q148 Q152 V153 Q154F120-V150 HydrophobicContact CB-CG1 4.27Å; F120-V150 HydrophobicContact CD2-CG1 4.46Å; F120-V150 HydrophobicContact CD2-CG2 4.05Å; F120-V150 HydrophobicContact CG-CG1 4.26Å; Q148-V150 HydrophobicContact CB-CG2 4.33Å; V150-Q152 VanDerWaalsContact C-N 3.27Å; V150-Q152 PolarHBondContact O-N 3.37Å; V150-V153 HydrophobicContact CG2-CB 3.96Å; V150-V153 HydrophobicContact CG2-CG2 3.61Å; V150-V153 PolarHBondContact O-N 2.98Å; V150-V153 VanDerWaalsContact O-N 3.14Å; V150-Q154 PolarHBondContact O-N 2.73Å
151P88.7Confident94.6Very high52 Ų5225.3 Ų25.334%0.33813%0.127SC..Hα-helixtrans-55.5-40.2-173.6-28.635.9000114.4V153 Q154 H155 V194P151-V153 PolarHBondContact O-N 3.1Å; P151-V153 VanDerWaalsContact O-N 3.13Å; P151-Q154 PolarHBondContact O-N 2.77Å; P151-H155 WeakPolarHBondContact O-CB 3.44Å; P151-H155 PolarHBondContact O-CD2 3.27Å; P151-H155 PolarHBondContact O-N 2.82Å; P151-V194 VanDerWaalsContact CA-O 3.28Å; P151-V194 WeakPolarHBondContact CA-O 3.38Å
152Q90.4Very high94.5Very high60 Ų6025 Ų2528%0.2813%0.128SC..Hα-helixtrans-52.5-39.4179.6-62.186.3-11.800112.9D122 P123 V150D122-Q152 WeakPolarHBondContact OD1-CB 3.26Å; D122-Q152 WeakPolarHBondContact OD2-CG 3.5Å; P123-Q152 WeakPolarHBondContact CD-O 2.99Å; P123-Q152 WeakPolarHBondContact CG-O 3.26Å; V150-Q152 VanDerWaalsContact C-N 3.27Å; V150-Q152 PolarHBondContact O-N 3.37Å
153V94.6Very high94.5Very high0 Ų026.5 Ų26.50%014%0.135CC..Hα-helixtrans-80.8-40.5178174.40000111.9F121 P123 I145 Q148 V150 P151 K156 I157 I160F121-V153 WeakPolarHBondContact O-CG2 3.45Å; P123-V153 HydrophobicContact CG-CG2 4.25Å; I145-V153 HydrophobicContact CG2-CG1 3.99Å; I145-V153 HydrophobicContact CG2-CG2 4.13Å; I145-V153 WeakPolarHBondContact O-CG1 3.05Å; Q148-V153 HydrophobicContact CB-CG2 4.42Å; V150-V153 HydrophobicContact CG2-CB 3.96Å; V150-V153 HydrophobicContact CG2-CG2 3.61Å; V150-V153 PolarHBondContact O-N 2.98Å; V150-V153 VanDerWaalsContact O-N 3.14Å; P151-V153 PolarHBondContact O-N 3.1Å; P151-V153 VanDerWaalsContact O-N 3.13Å; V153-K156 CarbonylContact O-C 3.41Å; V153-K156 PolarHBondContact O-N 3.14Å; V153-I157 PolarHBondContact O-N 3Å; V153-I160 HydrophobicContact CG1-CD1 3.96Å
154Q94Very high94.5Very high0 Ų026.5 Ų26.50%014%0.135CC..Hα-helixtrans-75.6-31.6-175.8-57.1-54.8-90.500112.6Q148 W149 V150 P151 K156 I157 A189 V194Q148-Q154 PolarHBondContact O-NE2 3.43Å; W149-Q154 HydrophobicContact CE3-CG 3.64Å; W149-Q154 HydrophobicContact CZ3-CG 3.79Å; V150-Q154 PolarHBondContact O-N 2.73Å; P151-Q154 PolarHBondContact O-N 2.77Å; Q154-K156 PolarHBondContact O-N 3.22Å; Q154-I157 WeakPolarHBondContact O-CB 3.24Å; Q154-I157 WeakPolarHBondContact O-CG2 3.25Å; Q154-I157 PolarHBondContact O-N 2.87Å; Q154-A189 HydrophobicContact CB-CB 4.14Å; Q154-V194 WeakPolarHBondContact CB-O 3.22Å
155H94.3Very high94.6Very high87 Ų8727.6 Ų27.640%0.40314%0.14SC..THydrogen-bonded Turntrans-71.6-17.4174.6-72.6-132.9000113.1P151 D196P151-H155 WeakPolarHBondContact O-CB 3.44Å; P151-H155 PolarHBondContact O-CD2 3.27Å; P151-H155 PolarHBondContact O-N 2.82Å; H155-D196 HydrophobicContact CB-CB 4.39Å
156K96.1Very high94.5Very high83 Ų8335.1 Ų35.136%0.36117%0.172SC..THydrogen-bonded Turntrans-114.425.5177.4-62.2-70.2-172.71760111.9P123 N124 V153 Q154 D158 V159 I160P123-K156 HydrophobicContact CB-CB 4.02Å; P123-K156 HydrophobicContact CB-CG 4.13Å; P123-K156 HydrophobicContact CG-CB 4.21Å; N124-K156 VanDerWaalsContact OD1-CE 3.32Å; N124-K156 WeakPolarHBondContact OD1-CE 3.47Å; V153-K156 CarbonylContact O-C 3.41Å; V153-K156 PolarHBondContact O-N 3.14Å; Q154-K156 PolarHBondContact O-N 3.22Å; K156-D158 PolarHBondContact O-N 3.26Å; K156-V159 HydrophobicContact CD-CG2 4.22Å; K156-V159 PolarHBondContact O-N 3.27Å; K156-I160 WeakPolarHBondContact O-CD1 3.47Å; K156-I160 WeakPolarHBondContact O-CG1 3.41Å; K156-I160 PolarHBondContact O-N 2.81Å; K156-I160 VanDerWaalsContact O-N 3.1Å
157I97.4Very high94.5Very high1 Ų137.6 Ų37.61%0.00518%0.182CC..Hα-helixtrans-60.7-33.6-175.4-171.562.3000112.6V146 V153 Q154 G161 A189 A199 A200 L203V146-I157 HydrophobicContact CB-CD1 3.85Å; V146-I157 HydrophobicContact CG1-CD1 3.65Å; V153-I157 PolarHBondContact O-N 3Å; Q154-I157 WeakPolarHBondContact O-CB 3.24Å; Q154-I157 WeakPolarHBondContact O-CG2 3.25Å; Q154-I157 PolarHBondContact O-N 2.87Å; I157-G161 WeakPolarHBondContact O-CA 3.46Å; I157-G161 PolarHBondContact O-N 3.46Å; I157-A189 HydrophobicContact CB-CB 3.64Å; I157-A189 HydrophobicContact CD1-CB 4.2Å; I157-A189 HydrophobicContact CG1-CB 3.58Å; I157-A189 HydrophobicContact CG2-CB 3.66Å; I157-A199 HydrophobicContact CG2-CB 3.92Å; I157-A200 HydrophobicContact CG2-CB 4.46Å; I157-L203 HydrophobicContact CG1-CD2 3.92Å; I157-L203 WeakPolarHBondContact O-CD2 3.4Å
158D97.4Very high94.5Very high16 Ų1638.3 Ų38.39%0.08620%0.197CC..Hα-helixtrans-69-47.7176.353.4-10.5000112.4K156 I160 G161 N162 A199 R202 L203K156-D158 PolarHBondContact O-N 3.26Å; D158-I160 VanDerWaalsContact C-N 3.34Å; D158-I160 PolarHBondContact O-N 3.03Å; D158-G161 PolarHBondContact O-N 3.43Å; D158-N162 VanDerWaalsContact O-CB 3.27Å; D158-N162 WeakPolarHBondContact O-CB 3.26Å; D158-N162 VanDerWaalsContact O-CG 3.23Å; D158-N162 PolarHBondContact O-N 3.06Å; D158-A199 HydrophobicContact CB-CB 4.33Å; D158-R202 IonicContact OD2-CZ 3.81Å; D158-R202 IonicContact OD2-NE 3.89Å; D158-R202 PolarHBondContact OD2-NE 2.92Å; D158-R202 IonicContact OD2-NH2 3.2Å; D158-R202 PolarHBondContact OD2-NH2 2.86Å; D158-L203 HydrophobicContact CB-CB 4.06Å
159V97Very high94.7Very high68 Ų6837.2 Ų37.241%0.41219%0.192SC..Hα-helixtrans-57-49.1175.1-175.50000110.5L132 K156 N162 E163L132-V159 HydrophobicContact CD2-CG1 4.19Å; K156-V159 HydrophobicContact CD-CG2 4.22Å; K156-V159 PolarHBondContact O-N 3.27Å; V159-N162 PolarHBondContact O-N 2.86Å; V159-E163 PolarHBondContact O-N 3.26Å
160I97.8Very high95.1Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-69-40.1-179.9-54.2157.3000111P123 L132 I145 V146 V153 K156 D158 N162 E163 I164P123-I160 HydrophobicContact CG-CD1 3.87Å; L132-I160 HydrophobicContact CD1-CG1 4.33Å; L132-I160 HydrophobicContact CD1-CG2 4.25Å; L132-I160 HydrophobicContact CD2-CG1 4.14Å; I145-I160 HydrophobicContact CG2-CD1 3.97Å; I145-I160 HydrophobicContact CG2-CG2 4.46Å; V146-I160 HydrophobicContact CG1-CB 4.03Å; V146-I160 HydrophobicContact CG1-CD1 4.42Å; V146-I160 HydrophobicContact CG1-CG2 3.49Å; V146-I160 VanDerWaalsContact CG1-CG2 3.49Å; V153-I160 HydrophobicContact CG1-CD1 3.96Å; K156-I160 WeakPolarHBondContact O-CD1 3.47Å; K156-I160 WeakPolarHBondContact O-CG1 3.41Å; K156-I160 PolarHBondContact O-N 2.81Å; K156-I160 VanDerWaalsContact O-N 3.1Å; D158-I160 VanDerWaalsContact C-N 3.34Å; D158-I160 PolarHBondContact O-N 3.03Å; I160-N162 VanDerWaalsContact C-N 3.31Å; I160-N162 PolarHBondContact O-N 3.28Å; I160-E163 PolarHBondContact O-N 3.05Å; I160-I164 HydrophobicContact CG2-CD1 4.28Å; I160-I164 VanDerWaalsContact O-CG1 3.31Å; I160-I164 WeakPolarHBondContact O-CG1 3.34Å; I160-I164 PolarHBondContact O-N 2.88Å
161G97.3Very high95.5Very high0 Ų038.5 Ų38.50%020%0.198CC..Hα-helixtrans-62.1-37.4176.100000112.7I157 D158 I164 L165I157-G161 WeakPolarHBondContact O-CA 3.46Å; I157-G161 PolarHBondContact O-N 3.46Å; D158-G161 PolarHBondContact O-N 3.43Å; G161-I164 WeakPolarHBondContact O-CB 3.26Å; G161-I164 PolarHBondContact O-N 3.28Å; G161-L165 WeakPolarHBondContact O-CG 3.32Å; G161-L165 PolarHBondContact O-N 2.99Å
162N96.9Very high95.9Very high53 Ų5337 Ų3728%0.28319%0.187SC..Hα-helixtrans-73.2-39177.8-73.6-7.9000111.9D158 V159 I160 I164 L165 K166 Q206D158-N162 VanDerWaalsContact O-CB 3.27Å; D158-N162 WeakPolarHBondContact O-CB 3.26Å; D158-N162 VanDerWaalsContact O-CG 3.23Å; D158-N162 PolarHBondContact O-N 3.06Å; V159-N162 PolarHBondContact O-N 2.86Å; I160-N162 VanDerWaalsContact C-N 3.31Å; I160-N162 PolarHBondContact O-N 3.28Å; N162-I164 VanDerWaalsContact C-N 3.27Å; N162-I164 PolarHBondContact O-N 3.05Å; N162-L165 PolarHBondContact O-N 3.39Å; N162-K166 WeakPolarHBondContact O-CB 3.32Å; N162-K166 PolarHBondContact O-N 2.84Å; N162-Q206 PolarHBondContact ND2-OE1 3.48Å; N162-Q206 VanDerWaalsContact ND2-OE1 3.1Å; N162-Q206 VanDerWaalsContact OD1-CD 3.28Å; N162-Q206 PolarHBondContact OD1-NE2 3.12Å; N162-Q206 VanDerWaalsContact OD1-NE2 3.14Å; N162-Q206 PolarHBondContact OD1-OE1 2.9Å
163E97.4Very high96.2Very high32 Ų3234.5 Ų34.515%0.1518%0.175CC..Hα-helixtrans-63.9-28.9169.6-82.7-56.9-43.400113.1L132 V159 I160 K166 R167L132-E163 HydrophobicContact CD1-CB 4.04Å; L132-E163 HydrophobicContact CD1-CG 4.23Å; L132-E163 HydrophobicContact CG-CG 4.23Å; V159-E163 PolarHBondContact O-N 3.26Å; I160-E163 PolarHBondContact O-N 3.05Å; E163-K166 IonicContact OE1-NZ 3.81Å; E163-K166 WeakPolarHBondContact OE2-CD 3.08Å; E163-K166 WeakPolarHBondContact OE2-CE 3.2Å; E163-K166 IonicContact OE2-NZ 3.85Å; E163-K166 PolarHBondContact OE2-NZ 3.32Å; E163-R167 WeakPolarHBondContact O-CG 3.28Å; E163-R167 PolarHBondContact O-N 3.12Å; E163-R167 PolarHBondContact O-NH1 2.75Å; E163-R167 IonicContact OE1-CZ 2.66Å; E163-R167 IonicContact OE1-NH1 2.91Å; E163-R167 PolarHBondContact OE1-NH1 2.82Å; E163-R167 IonicContact OE1-NH2 3.19Å
164I97.4Very high96.3Very high0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-68.5-49170.2-69.5166.1000111I139 L142 F143 V146 I160 G161 N162 R167 C169 L182I139-I164 HydrophobicContact CG2-CG2 4.13Å; L142-I164 HydrophobicContact CB-CD1 3.71Å; L142-I164 HydrophobicContact CB-CG1 3.35Å; L142-I164 HydrophobicContact CD1-CB 4.46Å; L142-I164 HydrophobicContact CD1-CG1 3.61Å; L142-I164 HydrophobicContact CG-CG1 4.13Å; F143-I164 HydrophobicContact CE2-CG2 4.5Å; V146-I164 HydrophobicContact CG1-CD1 4.43Å; I160-I164 HydrophobicContact CG2-CD1 4.28Å; I160-I164 VanDerWaalsContact O-CG1 3.31Å; I160-I164 WeakPolarHBondContact O-CG1 3.34Å; I160-I164 PolarHBondContact O-N 2.88Å; G161-I164 WeakPolarHBondContact O-CB 3.26Å; G161-I164 PolarHBondContact O-N 3.28Å; N162-I164 VanDerWaalsContact C-N 3.27Å; N162-I164 PolarHBondContact O-N 3.05Å; I164-R167 PolarHBondContact O-N 2.87Å; I164-C169 HydrophobicContact CG2-CB 3.46Å; I164-C169 VanDerWaalsContact CG2-CB 3.46Å; I164-C169 VanDerWaalsContact CG2-SG 3.58Å; I164-C169 WeakPolarHBondContact O-CB 3.44Å; I164-C169 PolarHBondContact O-N 3.1Å; I164-L182 HydrophobicContact CB-CD1 4.37Å; I164-L182 HydrophobicContact CB-CD2 4.42Å; I164-L182 HydrophobicContact CD1-CD2 3.69Å; I164-L182 HydrophobicContact CG2-CD1 3.89Å; I164-L182 HydrophobicContact CG2-CD2 4.19Å; I164-L182 HydrophobicContact CG2-CG 4.37Å
165L96.4Very high96.3Very high26 Ų2636.9 Ų36.914%0.13618%0.184CC..Hα-helixtrans-62.9-43.5179.2-69.3168.9000111.9G161 N162 R167 G168 V171 L182 L203 L207 L210G161-L165 WeakPolarHBondContact O-CG 3.32Å; G161-L165 PolarHBondContact O-N 2.99Å; N162-L165 PolarHBondContact O-N 3.39Å; L165-R167 VanDerWaalsContact C-N 3.25Å; L165-R167 PolarHBondContact O-N 2.82Å; L165-G168 WeakPolarHBondContact O-CA 3.44Å; L165-G168 PolarHBondContact O-N 3.45Å; L165-V171 HydrophobicContact CD2-CG2 4.48Å; L165-L182 HydrophobicContact CD2-CD1 3.97Å; L165-L182 HydrophobicContact CG-CD1 4.01Å; L165-L203 HydrophobicContact CD1-CD1 4.5Å; L165-L207 HydrophobicContact CD1-CD2 4.04Å; L165-L207 HydrophobicContact CD2-CD2 4.16Å; L165-L210 HydrophobicContact CD1-CD1 3.92Å; L165-L210 HydrophobicContact CD2-CD1 4.26Å
166K95.6Very high96.1Very high158 Ų15833.9 Ų33.969%0.68718%0.177SC*.Hα-helixtrans-58.7-31.2177.8-176.9-177.5175.5-177.50113.3N162 E163 G168N162-K166 WeakPolarHBondContact O-CB 3.32Å; N162-K166 PolarHBondContact O-N 2.84Å; E163-K166 IonicContact OE1-NZ 3.81Å; E163-K166 WeakPolarHBondContact OE2-CD 3.08Å; E163-K166 WeakPolarHBondContact OE2-CE 3.2Å; E163-K166 IonicContact OE2-NZ 3.85Å; E163-K166 PolarHBondContact OE2-NZ 3.32Å; K166-G168 PolarHBondContact O-N 3.43Å
167R94.7Very high95.8Very high53 Ų5330.7 Ų30.720%0.216%0.164CC..THydrogen-bonded Turntrans-75.68171.9-74174.9-179.671.4-3.3114L132 D134 T137 I139 E163 I164 L165L132-R167 PolarHBondContact O-NH2 3.29Å; D134-R167 PolarHBondContact O-NH2 3.28Å; T137-R167 VanDerWaalsContact O-CD 3.3Å; T137-R167 WeakPolarHBondContact O-CD 3.34Å; T137-R167 PolarHBondContact O-NE 3.26Å; I139-R167 HydrophobicContact CD1-CB 4.02Å; I139-R167 HydrophobicContact CG1-CB 3.85Å; E163-R167 WeakPolarHBondContact O-CG 3.28Å; E163-R167 PolarHBondContact O-N 3.12Å; E163-R167 PolarHBondContact O-NH1 2.75Å; E163-R167 IonicContact OE1-CZ 2.66Å; E163-R167 IonicContact OE1-NH1 2.91Å; E163-R167 PolarHBondContact OE1-NH1 2.82Å; E163-R167 IonicContact OE1-NH2 3.19Å; I164-R167 PolarHBondContact O-N 2.87Å; L165-R167 VanDerWaalsContact C-N 3.25Å; L165-R167 PolarHBondContact O-N 2.82Å
168G93.8Very high95.4Very high40 Ų4031.4 Ų31.441%0.41217%0.168SC..THydrogen-bonded Turntrans78.122.1179.300000114L165 K166 H170L165-G168 WeakPolarHBondContact O-CA 3.44Å; L165-G168 PolarHBondContact O-N 3.45Å; K166-G168 PolarHBondContact O-N 3.43Å; G168-H170 PolarHBondContact O-N 3.28Å
169C95.6Very high95.1Very high8 Ų831 Ų315%0.05417%0.166CC..  trans-63.3125.4167.4-172.10000108.9I139 I164 D173I139-C169 HydrophobicContact CD1-CB 3.71Å; I139-C169 HydrophobicContact CG1-CB 4.12Å; I139-C169 HydrophobicContact CG2-CB 4.15Å; I164-C169 HydrophobicContact CG2-CB 3.46Å; I164-C169 VanDerWaalsContact CG2-CB 3.46Å; I164-C169 VanDerWaalsContact CG2-SG 3.58Å; I164-C169 WeakPolarHBondContact O-CB 3.44Å; I164-C169 PolarHBondContact O-N 3.1Å; C169-D173 PolarHBondContact SG-OD2 3.39Å
170H96.6Very high95Very high62 Ų6227.9 Ų27.929%0.28715%0.147SC..  trans-73.9142.2176.9167.8-94000109.4R100 A102 G168 N172 D173R100-H170 PolarHBondContact O-CD2 3.15Å; R100-H170 VanDerWaalsContact O-CD2 3.24Å; A102-H170 WeakPolarHBondContact CB-ND1 3.41Å; G168-H170 PolarHBondContact O-N 3.28Å; H170-N172 PolarHBondContact ND1-N 3.06Å; H170-N172 PolarHBondContact O-N 2.98Å; H170-D173 WeakPolarHBondContact CB-OD1 3.39Å; H170-D173 PolarHBondContact N-OD2 3.15Å; H170-D173 IonicContact ND1-OD1 2.74Å; H170-D173 WeakPolarHBondContact O-CB 3.23Å; H170-D173 VanDerWaalsContact O-CG 3.25Å; H170-D173 PolarHBondContact O-N 3.44Å
171V95.8Very high95Very high9 Ų927.9 Ų27.96%0.05515%0.147CC..THydrogen-bonded Turntrans-57.7-22.9-166.880.50000114.6L165 L207 L210 A212L165-V171 HydrophobicContact CD2-CG2 4.48Å; V171-L207 HydrophobicContact CG2-CB 4.25Å; V171-L207 HydrophobicContact CG2-CD2 3.53Å; V171-L207 HydrophobicContact CG2-CG 4.5Å; V171-L210 HydrophobicContact CB-CB 4.23Å; V171-L210 WeakPolarHBondContact CG1-O 3.39Å; V171-L210 HydrophobicContact CG2-CB 3.71Å; V171-A212 HydrophobicContact CG1-CB 4.36Å; V171-A212 HydrophobicContact CG2-CB 3.89Å
172N96.7Very high95Very high21 Ų2128 Ų2811%0.11215%0.148CC..THydrogen-bonded Turntrans-106.910-179.7-70.9-59.8000114A102 H170 G211 A212 D213 L216A102-N172 HydrophobicContact CB-CB 4.14Å; H170-N172 PolarHBondContact ND1-N 3.06Å; H170-N172 PolarHBondContact O-N 2.98Å; N172-G211 PolarHBondContact ND2-O 3.38Å; N172-A212 WeakPolarHBondContact OD1-CA 3.38Å; N172-D213 PolarHBondContact OD1-N 2.64Å; N172-L216 HydrophobicContact CB-CD1 3.69Å; N172-L216 WeakPolarHBondContact OD1-CD1 3.45Å
173D97.4Very high95Very high7 Ų725.5 Ų25.54%0.03713%0.134CC..  trans-64.4155.9173.5-74.4-6.8000111.9A102 V103 H105 C169 H170 T181A102-D173 VanDerWaalsContact CA-OD1 3.24Å; A102-D173 WeakPolarHBondContact CA-OD1 3.41Å; V103-D173 HydrophobicContact CG2-CB 4.5Å; V103-D173 PolarHBondContact N-OD1 2.92Å; V103-D173 WeakPolarHBondContact O-CA 3.33Å; H105-D173 IonicContact CD2-OD2 3.89Å; H105-D173 IonicContact CE1-OD2 2.71Å; H105-D173 IonicContact NE2-OD2 3.16Å; H105-D173 PolarHBondContact NE2-OD2 2.95Å; C169-D173 PolarHBondContact SG-OD2 3.39Å; H170-D173 WeakPolarHBondContact CB-OD1 3.39Å; H170-D173 PolarHBondContact N-OD2 3.15Å; H170-D173 IonicContact ND1-OD1 2.74Å; H170-D173 WeakPolarHBondContact O-CB 3.23Å; H170-D173 VanDerWaalsContact O-CG 3.25Å; H170-D173 PolarHBondContact O-N 3.44Å; D173-T181 VanDerWaalsContact O-CA 3.26Å; D173-T181 WeakPolarHBondContact O-CA 3.08Å; D173-T181 WeakPolarHBondContact O-CB 3.4Å; D173-T181 WeakPolarHBondContact O-CG2 3.49Å
174R95.9Very high95Very high50 Ų5024.1 Ų24.119%0.18913%0.128CC..BIsolated β-bridgetrans-120.5141.6-176-61.3176.4-174.6-144.9-4.6112.4V103 V104 H105 D179 M180 T181 R217V103-R174 PolarHBondContact O-N 3.21Å; V104-R174 HydrophobicContact CG1-CB 4.26Å; V104-R174 HydrophobicContact CG2-CB 4.24Å; H105-R174 PolarHBondContact N-O 3.48Å; R174-D179 WeakPolarHBondContact CD-O 3.27Å; R174-D179 IonicContact CZ-OD2 3.12Å; R174-D179 IonicContact NH1-OD2 3.7Å; R174-D179 PolarHBondContact NH1-OD2 2.8Å; R174-M180 WeakPolarHBondContact CA-O 3.28Å; R174-T181 HydrophobicContact CG-CG2 3.83Å; R174-R217 PolarHBondContact NH1-O 3.31Å
175D94.6Very high94.9Very high0 Ų024.1 Ų24.10%013%0.128CC..  trans-61135.8163.416052.4000110.8F143 R147 L177 T178 D179 M180 Y185F143-D175 HydrophobicContact CB-CB 4.11Å; F143-D175 HydrophobicContact CD1-CB 3.78Å; F143-D175 HydrophobicContact CD2-CB 4.5Å; F143-D175 HydrophobicContact CE1-CB 4.3Å; F143-D175 HydrophobicContact CG-CB 3.89Å; R147-D175 WeakPolarHBondContact CD-OD2 3.43Å; R147-D175 IonicContact CZ-OD1 3.4Å; R147-D175 IonicContact NH1-OD1 2.77Å; R147-D175 PolarHBondContact NH1-OD1 2.93Å; R147-D175 IonicContact NH1-OD2 2.83Å; D175-L177 VanDerWaalsContact C-N 3.32Å; D175-L177 PolarHBondContact O-N 3.13Å; D175-L177 PolarHBondContact OD1-N 3.14Å; D175-L177 PolarHBondContact OD2-N 3Å; D175-T178 VanDerWaalsContact OD2-CB 3.29Å; D175-T178 WeakPolarHBondContact OD2-CB 3.43Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.48Å; D175-T178 PolarHBondContact OD2-N 2.95Å; D175-T178 PolarHBondContact OD2-OG1 2.97Å; D175-D179 WeakPolarHBondContact O-CA 3.47Å; D175-D179 PolarHBondContact O-N 3.24Å; D175-M180 PolarHBondContact N-O 3.19Å; D175-Y185 HydrophobicContact CB-CE2 4.12Å; D175-Y185 PolarHBondContact OD2-OH 3.34Å
176G90.9Very high95Very high24 Ų2422.9 Ų22.925%0.24712%0.121CC..THydrogen-bonded Turntrans-67.4-25.9-177.500000115.4H105H105-G176 WeakPolarHBondContact O-CA 3.25Å; H105-G176 PolarHBondContact O-N 2.89Å; H105-G176 VanDerWaalsContact O-N 3.17Å
177L88.6Confident95Very high17 Ų1715.3 Ų15.39%0.0899%0.089CC..THydrogen-bonded Turntrans-84.2-51.4-177.6-175.459.6000112.1D175 W220 A606D175-L177 VanDerWaalsContact C-N 3.32Å; D175-L177 PolarHBondContact O-N 3.13Å; D175-L177 PolarHBondContact OD1-N 3.14Å; D175-L177 PolarHBondContact OD2-N 3Å; L177-W220 PolarHBondContact O-NE1 3.07Å; L177-A606 HydrophobicContact CD1-CB 4.35Å; L177-A606 HydrophobicContact CG-CB 4.38Å
178T88.6Confident94.9Very high16 Ų1612.8 Ų12.810%0.0988%0.079CC..THydrogen-bonded Turntrans-95.5-15.7-174.363.10000114R147 D175 M180 Y185R147-T178 HydrophobicContact CG-CG2 4.41Å; D175-T178 VanDerWaalsContact OD2-CB 3.29Å; D175-T178 WeakPolarHBondContact OD2-CB 3.43Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.48Å; D175-T178 PolarHBondContact OD2-N 2.95Å; D175-T178 PolarHBondContact OD2-OG1 2.97Å; T178-M180 HydrophobicContact CG2-SD 4.29Å; T178-M180 PolarHBondContact O-N 2.78Å; T178-M180 VanDerWaalsContact OG1-CB 3.31Å; T178-M180 WeakPolarHBondContact OG1-CB 3.44Å; T178-M180 PolarHBondContact OG1-N 3.48Å; T178-Y185 PolarHBondContact OG1-OH 2.88Å
179D92.6Very high95Very high8 Ų810.9 Ų10.94%0.0436%0.059CC..  trans60.918.6-171.1-16292.4000113.3R174 D175 R219R174-D179 WeakPolarHBondContact CD-O 3.27Å; R174-D179 IonicContact CZ-OD2 3.12Å; R174-D179 IonicContact NH1-OD2 3.7Å; R174-D179 PolarHBondContact NH1-OD2 2.8Å; D175-D179 WeakPolarHBondContact O-CA 3.47Å; D175-D179 PolarHBondContact O-N 3.24Å; D179-R219 HydrophobicContact CB-CB 3.51Å; D179-R219 VanDerWaalsContact CG-CB 3.43Å; D179-R219 IonicContact OD1-CZ 3.85Å; D179-R219 VanDerWaalsContact OD1-CZ 3.31Å; D179-R219 IonicContact OD1-NE 2.7Å; D179-R219 PolarHBondContact OD1-NE 3.41Å; D179-R219 VanDerWaalsContact OD1-NE 3.12Å; D179-R219 IonicContact OD1-NH2 3.31Å; D179-R219 PolarHBondContact OD1-NH2 2.84Å; D179-R219 WeakPolarHBondContact OD2-CB 3.26Å; D179-R219 PolarHBondContact OD2-N 2.74Å
180M94.8Very high94.9Very high1 Ų110.7 Ų10.71%0.0056%0.058CC..  trans-83.4143.4174.6-74.9166.955.800112.3R174 D175 T178 H184 Y185 Y228 W599R174-M180 WeakPolarHBondContact CA-O 3.28Å; D175-M180 PolarHBondContact N-O 3.19Å; T178-M180 HydrophobicContact CG2-SD 4.29Å; T178-M180 PolarHBondContact O-N 2.78Å; T178-M180 VanDerWaalsContact OG1-CB 3.31Å; T178-M180 WeakPolarHBondContact OG1-CB 3.44Å; T178-M180 PolarHBondContact OG1-N 3.48Å; M180-H184 HydrophobicContact CB-CB 3.89Å; M180-H184 HydrophobicContact CE-CB 3.66Å; M180-H184 HydrophobicContact CG-CB 3.89Å; M180-Y185 HydrophobicContact CB-CD2 4.22Å; M180-Y185 HydrophobicContact CB-CE2 3.64Å; M180-Y185 HydrophobicContact CE-CD1 3.59Å; M180-Y185 HydrophobicContact CE-CD2 4.1Å; M180-Y185 HydrophobicContact CE-CE1 3.55Å; M180-Y185 HydrophobicContact CE-CE2 4.09Å; M180-Y185 HydrophobicContact CE-CG 3.87Å; M180-Y185 HydrophobicContact SD-CE1 4.32Å; M180-Y228 HydrophobicContact CE-CD1 4.25Å; M180-Y228 HydrophobicContact CE-CE1 3.59Å; M180-Y228 HydrophobicContact CG-CE1 4.32Å; M180-Y228 WeakPolarHBondContact CG-OH 3.47Å; M180-Y228 HydrophobicContact SD-CE1 3.6Å; M180-Y228 PolarHBondContact SD-OH 2.89Å; M180-W599 HydrophobicContact CE-CH2 3.96Å; M180-W599 HydrophobicContact SD-CH2 3.8Å
181T97.1Very high94.5Very high0 Ų07.7 Ų7.70%05%0.045CC..BIsolated β-bridgetrans-86166.2166.370.60000111.5D173 R174 L183 H184 Y185 L216D173-T181 VanDerWaalsContact O-CA 3.26Å; D173-T181 WeakPolarHBondContact O-CA 3.08Å; D173-T181 WeakPolarHBondContact O-CB 3.4Å; D173-T181 WeakPolarHBondContact O-CG2 3.49Å; R174-T181 HydrophobicContact CG-CG2 3.83Å; T181-L183 PolarHBondContact O-N 3.45Å; T181-L183 VanDerWaalsContact O-N 3.11Å; T181-L183 PolarHBondContact OG1-N 2.91Å; T181-H184 PolarHBondContact N-ND1 2.88Å; T181-H184 WeakPolarHBondContact O-CB 3.3Å; T181-H184 PolarHBondContact O-N 3.31Å; T181-H184 PolarHBondContact OG1-ND1 3.16Å; T181-Y185 WeakPolarHBondContact O-CD2 3.49Å; T181-Y185 PolarHBondContact O-N 2.63Å; T181-L216 HydrophobicContact CG2-CD1 4.03Å
182L97.4Very high93.9Very high3 Ų314 Ų142%0.0167%0.073CC..Hα-helixtrans-48.8-37.7172.8-74.7177.5000113.2F143 I164 L165 H184 Y185 S186 L207F143-L182 HydrophobicContact CE1-CD2 3.84Å; F143-L182 HydrophobicContact CE1-CG 4.12Å; F143-L182 HydrophobicContact CZ-CD2 4.28Å; F143-L182 HydrophobicContact CZ-CG 4.2Å; I164-L182 HydrophobicContact CB-CD1 4.37Å; I164-L182 HydrophobicContact CB-CD2 4.42Å; I164-L182 HydrophobicContact CD1-CD2 3.69Å; I164-L182 HydrophobicContact CG2-CD1 3.89Å; I164-L182 HydrophobicContact CG2-CD2 4.19Å; I164-L182 HydrophobicContact CG2-CG 4.37Å; L165-L182 HydrophobicContact CD2-CD1 3.97Å; L165-L182 HydrophobicContact CG-CD1 4.01Å; L182-H184 VanDerWaalsContact C-N 3.25Å; L182-H184 PolarHBondContact O-N 3.25Å; L182-Y185 CarbonylContact O-C 3.58Å; L182-Y185 WeakPolarHBondContact O-CA 3.5Å; L182-Y185 WeakPolarHBondContact O-CB 3.44Å; L182-Y185 PolarHBondContact O-N 3.1Å; L182-S186 PolarHBondContact O-N 2.79Å; L182-L207 HydrophobicContact CB-CD1 3.82Å; L182-L207 HydrophobicContact CB-CD2 3.99Å; L182-L207 HydrophobicContact CD1-CD2 3.97Å
183L97.4Very high93.2Very high1 Ų115.5 Ų15.51%0.0059%0.094CC..Hα-helixtrans-62.9-29.6178.6-17167.4000113.3T181 S186 C187 T204 L207 M208 A212 V214 A225 L241T181-L183 PolarHBondContact O-N 3.45Å; T181-L183 VanDerWaalsContact O-N 3.11Å; T181-L183 PolarHBondContact OG1-N 2.91Å; L183-S186 PolarHBondContact O-OG 2.84Å; L183-S186 VanDerWaalsContact O-OG 3.05Å; L183-C187 PolarHBondContact O-N 3.01Å; L183-C187 PolarHBondContact O-SG 2.9Å; L183-T204 HydrophobicContact CD1-CG2 3.87Å; L183-L207 HydrophobicContact CB-CD1 4.24Å; L183-L207 HydrophobicContact CD1-CB 4.38Å; L183-L207 HydrophobicContact CD1-CD1 4.23Å; L183-M208 HydrophobicContact CD1-CE 3.7Å; L183-M208 HydrophobicContact CD2-CE 3.53Å; L183-M208 HydrophobicContact CG-CE 4.27Å; L183-A212 HydrophobicContact CD2-CB 4.19Å; L183-V214 HydrophobicContact CD2-CG2 4.17Å; L183-A225 HydrophobicContact CD2-CB 3.73Å; L183-A225 HydrophobicContact CG-CB 3.74Å; L183-L241 HydrophobicContact CD1-CD2 3.92Å; L183-L241 HydrophobicContact CD2-CD2 4.02Å; L183-L241 HydrophobicContact CG-CD2 4.18Å
184H96.5Very high92.5Very high2 Ų215.8 Ų15.81%0.00910%0.096CC..Hα-helixtrans-76.4-31174-60.474.4000111.1M180 T181 L182 K188 L216 N224 A225 Y228M180-H184 HydrophobicContact CB-CB 3.89Å; M180-H184 HydrophobicContact CE-CB 3.66Å; M180-H184 HydrophobicContact CG-CB 3.89Å; T181-H184 PolarHBondContact N-ND1 2.88Å; T181-H184 WeakPolarHBondContact O-CB 3.3Å; T181-H184 PolarHBondContact O-N 3.31Å; T181-H184 PolarHBondContact OG1-ND1 3.16Å; L182-H184 VanDerWaalsContact C-N 3.25Å; L182-H184 PolarHBondContact O-N 3.25Å; H184-K188 WeakPolarHBondContact O-CB 3.5Å; H184-K188 PolarHBondContact O-N 2.88Å; H184-K188 VanDerWaalsContact O-N 3.12Å; H184-L216 PolarHBondContact CE1-O 2.97Å; H184-L216 PolarHBondContact NE2-O 2.96Å; H184-N224 WeakPolarHBondContact NE2-CA 3.45Å; H184-A225 PolarHBondContact NE2-N 2.68Å; H184-Y228 HydrophobicContact CB-CE1 4.43Å; H184-Y228 AromaticContact CD2-CD2 3.81Å; H184-Y228 AromaticContact CD2-CE2 3.57Å
185Y96.9Very high92.2Very high0 Ų013.8 Ų13.80%09%0.09CC..Hα-helixtrans-72.6-37.8174.3-71.9-72.4000112.6F143 V146 R147 D175 T178 M180 T181 L182 K188 A189F143-Y185 HydrophobicContact CD1-CD2 4.28Å; F143-Y185 AromaticContact CD1-CE2 3.85Å; F143-Y185 HydrophobicContact CD1-CE2 3.85Å; F143-Y185 HydrophobicContact CE1-CD2 4.21Å; F143-Y185 HydrophobicContact CE1-CE2 4.04Å; V146-Y185 HydrophobicContact CB-CD1 4.28Å; V146-Y185 HydrophobicContact CB-CG 4.42Å; V146-Y185 HydrophobicContact CG2-CD1 3.82Å; V146-Y185 HydrophobicContact CG2-CD2 3.99Å; V146-Y185 HydrophobicContact CG2-CE1 4.07Å; V146-Y185 HydrophobicContact CG2-CE2 4.22Å; V146-Y185 HydrophobicContact CG2-CG 3.78Å; R147-Y185 HydrophobicContact CG-CE1 3.89Å; R147-Y185 WeakPolarHBondContact CG-OH 3.34Å; D175-Y185 HydrophobicContact CB-CE2 4.12Å; D175-Y185 PolarHBondContact OD2-OH 3.34Å; T178-Y185 PolarHBondContact OG1-OH 2.88Å; M180-Y185 HydrophobicContact CB-CD2 4.22Å; M180-Y185 HydrophobicContact CB-CE2 3.64Å; M180-Y185 HydrophobicContact CE-CD1 3.59Å; M180-Y185 HydrophobicContact CE-CD2 4.1Å; M180-Y185 HydrophobicContact CE-CE1 3.55Å; M180-Y185 HydrophobicContact CE-CE2 4.09Å; M180-Y185 HydrophobicContact CE-CG 3.87Å; M180-Y185 HydrophobicContact SD-CE1 4.32Å; T181-Y185 WeakPolarHBondContact O-CD2 3.49Å; T181-Y185 PolarHBondContact O-N 2.63Å; L182-Y185 CarbonylContact O-C 3.58Å; L182-Y185 WeakPolarHBondContact O-CA 3.5Å; L182-Y185 WeakPolarHBondContact O-CB 3.44Å; L182-Y185 PolarHBondContact O-N 3.1Å; Y185-K188 HydrophobicContact CD1-CD 4.2Å; Y185-K188 WeakPolarHBondContact O-CB 3.03Å; Y185-K188 PolarHBondContact O-N 2.81Å; Y185-A189 VanDerWaalsContact O-CB 3.3Å; Y185-A189 WeakPolarHBondContact O-CB 3.4Å; Y185-A189 PolarHBondContact O-N 2.8Å
186S97.2Very high92Very high0 Ų015.8 Ų15.80%010%0.101CC..Hα-helixtrans-63.6-42.4171.869.50000111.4L182 L183 K188 A189 G190 A200 T204L182-S186 PolarHBondContact O-N 2.79Å; L183-S186 PolarHBondContact O-OG 2.84Å; L183-S186 VanDerWaalsContact O-OG 3.05Å; S186-K188 VanDerWaalsContact C-N 3.26Å; S186-K188 PolarHBondContact O-N 3.07Å; S186-A189 PolarHBondContact O-N 2.99Å; S186-A189 VanDerWaalsContact O-N 3.09Å; S186-G190 PolarHBondContact O-N 2.63Å; S186-A200 WeakPolarHBondContact O-CB 3.36Å; S186-T204 VanDerWaalsContact CB-OG1 3.25Å; S186-T204 WeakPolarHBondContact CB-OG1 3.46Å; S186-T204 PolarHBondContact OG-OG1 3.09Å
187C96.3Very high92Very high0 Ų016.7 Ų16.70%010%0.103CC..Hα-helixtrans-61.7-31.4174.7-66.40000114L183 A225 A229L183-C187 PolarHBondContact O-N 3.01Å; L183-C187 PolarHBondContact O-SG 2.9Å; C187-A225 PolarHBondContact SG-O 3.33Å; C187-A229 HydrophobicContact CB-CB 4.25Å
188K93.2Very high92.2Very high0 Ų017.9 Ų17.90%012%0.115CC..Hα-helixtrans-71.9-44.5171.1168.3-160.1164.7-155.50111.1V146 R147 Q148 W149 H184 Y185 S186 G190 A191 F232 W599V146-K188 PolarHBondContact O-NZ 3.43Å; R147-K188 PolarHBondContact O-NZ 3.3Å; Q148-K188 PolarHBondContact O-NZ 2.95Å; W149-K188 HydrophobicContact CE3-CD 4.28Å; W149-K188 HydrophobicContact CE3-CG 4.07Å; W149-K188 HydrophobicContact CH2-CG 4.06Å; W149-K188 WeakPolarHBondContact CH2-O 3.18Å; W149-K188 HydrophobicContact CZ3-CD 4.21Å; W149-K188 HydrophobicContact CZ3-CG 3.51Å; W149-K188 WeakPolarHBondContact CZ3-O 3.28Å; H184-K188 WeakPolarHBondContact O-CB 3.5Å; H184-K188 PolarHBondContact O-N 2.88Å; H184-K188 VanDerWaalsContact O-N 3.12Å; Y185-K188 HydrophobicContact CD1-CD 4.2Å; Y185-K188 WeakPolarHBondContact O-CB 3.03Å; Y185-K188 PolarHBondContact O-N 2.81Å; S186-K188 VanDerWaalsContact C-N 3.26Å; S186-K188 PolarHBondContact O-N 3.07Å; K188-G190 VanDerWaalsContact C-N 3.27Å; K188-G190 PolarHBondContact O-N 2.8Å; K188-A191 WeakPolarHBondContact O-CB 3.28Å; K188-A191 PolarHBondContact O-N 3.46Å; K188-F232 HydrophobicContact CB-CD2 4.31Å; K188-F232 HydrophobicContact CB-CE2 3.85Å; K188-F232 HydrophobicContact CB-CZ 4.35Å; K188-F232 HydrophobicContact CG-CE2 4.04Å; K188-F232 HydrophobicContact CG-CZ 4.02Å; K188-W599 HydrophobicContact CD-CH2 3.86Å; K188-W599 HydrophobicContact CD-CZ2 3.69Å; K188-W599 HydrophobicContact CD-CZ3 4.38Å
189A95.3Very high92.5Very high0 Ų017.1 Ų17.10%011%0.11CC..Hα-helixtrans-75.9-5.3-173.300000115.1Q154 I157 Y185 S186 A191 G195 D196Q154-A189 HydrophobicContact CB-CB 4.14Å; I157-A189 HydrophobicContact CB-CB 3.64Å; I157-A189 HydrophobicContact CD1-CB 4.2Å; I157-A189 HydrophobicContact CG1-CB 3.58Å; I157-A189 HydrophobicContact CG2-CB 3.66Å; Y185-A189 VanDerWaalsContact O-CB 3.3Å; Y185-A189 WeakPolarHBondContact O-CB 3.4Å; Y185-A189 PolarHBondContact O-N 2.8Å; S186-A189 PolarHBondContact O-N 2.99Å; S186-A189 VanDerWaalsContact O-N 3.09Å; A189-A191 VanDerWaalsContact C-N 3.33Å; A189-G195 CarbonylContact O-C 3.44Å; A189-G195 WeakPolarHBondContact O-CA 3.19Å; A189-D196 PolarHBondContact O-N 3.22Å
190G92.3Very high92.7Very high3 Ų316.8 Ų16.83%0.03111%0.108CC..THydrogen-bonded Turntrans-85.22.9169.400000114.8S186 K188 H192 V234S186-G190 PolarHBondContact O-N 2.63Å; K188-G190 VanDerWaalsContact C-N 3.27Å; K188-G190 PolarHBondContact O-N 2.8Å; G190-H192 PolarHBondContact O-N 3Å; G190-V234 WeakPolarHBondContact O-CG2 3.23Å
191A88.9Confident92.7Very high0 Ų018.8 Ų18.80%012%0.119CC..  trans-69.3129.3-173.800000113.4W149 K188 A189 G193 V194 G195 F232W149-A191 HydrophobicContact CH2-CB 3.58Å; W149-A191 HydrophobicContact CZ2-CB 4.21Å; K188-A191 WeakPolarHBondContact O-CB 3.28Å; K188-A191 PolarHBondContact O-N 3.46Å; A189-A191 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 3.45Å; A191-V194 PolarHBondContact O-N 2.81Å; A191-G195 PolarHBondContact O-N 3.42Å; A191-F232 HydrophobicContact CB-CB 3.79Å; A191-F232 HydrophobicContact CB-CD1 3.63Å; A191-F232 HydrophobicContact CB-CG 3.97Å
192H83.4Confident92.7Very high141 Ų14125 Ų2565%0.65314%0.142SC*.THydrogen-bonded Turntrans-60.5133.6-176.3-168.482.4000113.5G190 V194 S592G190-H192 PolarHBondContact O-N 3Å; H192-V194 VanDerWaalsContact C-N 3.27Å; H192-V194 PolarHBondContact O-N 3.2Å; H192-S592 PolarHBondContact O-OG 3.38Å
193G80.9Confident92.7Very high53 Ų5324.9 Ų24.955%0.54614%0.142SC..THydrogen-bonded Turntrans75.44.518000000115.7A191A191-G193 PolarHBondContact O-N 3.45Å
194V83Confident92.7Very high13 Ų1324.8 Ų24.88%0.07914%0.141CC..THydrogen-bonded Turntrans-136-24.1171.2-171.40000112.4W149 P151 Q154 A191 H192W149-V194 HydrophobicContact CD2-CG1 3.77Å; W149-V194 HydrophobicContact CE3-CG1 3.85Å; W149-V194 HydrophobicContact CG-CG1 4.41Å; W149-V194 HydrophobicContact CH2-CB 4.23Å; W149-V194 HydrophobicContact CH2-CG1 4.2Å; W149-V194 HydrophobicContact CZ2-CB 4.07Å; W149-V194 HydrophobicContact CZ2-CG1 4.02Å; W149-V194 HydrophobicContact CZ2-CG2 4.27Å; W149-V194 HydrophobicContact CZ3-CG1 4.07Å; P151-V194 VanDerWaalsContact CA-O 3.28Å; P151-V194 WeakPolarHBondContact CA-O 3.38Å; Q154-V194 WeakPolarHBondContact CB-O 3.22Å; A191-V194 PolarHBondContact O-N 2.81Å; H192-V194 VanDerWaalsContact C-N 3.27Å; H192-V194 PolarHBondContact O-N 3.2Å
195G90.5Very high92.6Very high7 Ų726.9 Ų26.97%0.07216%0.156CC..SBendtrans-134.8175.4179.500000112.9A189 A191A189-G195 CarbonylContact O-C 3.44Å; A189-G195 WeakPolarHBondContact O-CA 3.19Å; A191-G195 PolarHBondContact O-N 3.42Å
196D90.9Very high92.5Very high42 Ų4230.2 Ų30.223%0.22517%0.172CC..  trans-105.6113.2177.9173.923.5000110.6H155 A189 A198 A199 A200 R202H155-D196 HydrophobicContact CB-CB 4.39Å; A189-D196 PolarHBondContact O-N 3.22Å; D196-A198 PolarHBondContact O-N 2.99Å; D196-A198 WeakPolarHBondContact OD1-CB 3.47Å; D196-A198 PolarHBondContact OD1-N 3.21Å; D196-A199 HydrophobicContact CB-CB 4.01Å; D196-A199 WeakPolarHBondContact OD2-CB 3.45Å; D196-A199 PolarHBondContact OD2-N 2.93Å; D196-A200 VanDerWaalsContact O-CB 3.26Å; D196-A200 WeakPolarHBondContact O-CB 3.46Å; D196-A200 PolarHBondContact O-N 3.06Å; D196-R202 IonicContact OD2-NH2 3.35Å
197P90.2Very high92.5Very high44 Ų4430.2 Ų30.229%0.28617%0.172SC..Hα-helixtrans-55-32.6171.1-24.533.9000113.7L201P197-L201 WeakPolarHBondContact O-CB 3.23Å; P197-L201 PolarHBondContact O-N 3.32Å
198A92.4Very high92.4Very high42 Ų4231.9 Ų31.935%0.34718%0.18SC..Hα-helixtrans-72.7-51.3-17800000112D196 A200 L201 R202D196-A198 PolarHBondContact O-N 2.99Å; D196-A198 WeakPolarHBondContact OD1-CB 3.47Å; D196-A198 PolarHBondContact OD1-N 3.21Å; A198-A200 VanDerWaalsContact C-N 3.31Å; A198-A200 PolarHBondContact O-N 3.24Å; A198-L201 WeakPolarHBondContact O-CB 3.27Å; A198-L201 PolarHBondContact O-N 3.21Å; A198-L201 VanDerWaalsContact O-N 3.11Å; A198-R202 WeakPolarHBondContact O-CG 3.37Å; A198-R202 PolarHBondContact O-N 2.84Å
199A94.8Very high92.4Very high0 Ų039.4 Ų39.40%022%0.219CC..Hα-helixtrans-55.9-45.1170.700000111.9I157 D158 D196 L201 R202 L203I157-A199 HydrophobicContact CG2-CB 3.92Å; D158-A199 HydrophobicContact CB-CB 4.33Å; D196-A199 HydrophobicContact CB-CB 4.01Å; D196-A199 WeakPolarHBondContact OD2-CB 3.45Å; D196-A199 PolarHBondContact OD2-N 2.93Å; A199-L201 VanDerWaalsContact C-N 3.28Å; A199-L201 PolarHBondContact O-N 3.28Å; A199-R202 VanDerWaalsContact CA-NH2 3.29Å; A199-R202 PolarHBondContact O-N 3.08Å; A199-L203 PolarHBondContact O-N 3.41Å
200A96.8Very high92.3Very high0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-61.6-36.4176.400000112.5I157 S186 D196 A198 T204 L237I157-A200 HydrophobicContact CG2-CB 4.46Å; S186-A200 WeakPolarHBondContact O-CB 3.36Å; D196-A200 VanDerWaalsContact O-CB 3.26Å; D196-A200 WeakPolarHBondContact O-CB 3.46Å; D196-A200 PolarHBondContact O-N 3.06Å; A198-A200 VanDerWaalsContact C-N 3.31Å; A198-A200 PolarHBondContact O-N 3.24Å; A200-T204 WeakPolarHBondContact O-CB 3.29Å; A200-T204 PolarHBondContact O-N 3.41Å; A200-T204 PolarHBondContact O-OG1 3.14Å; A200-L237 HydrophobicContact CB-CD1 4.02Å
201L95.4Very high92.3Very high43 Ų4346.1 Ų46.123%0.22527%0.265CS..Hα-helixtrans-73.1-41.3177.2-175.866.2000112.5P197 A198 A199 T204 S205 L237 V240P197-L201 WeakPolarHBondContact O-CB 3.23Å; P197-L201 PolarHBondContact O-N 3.32Å; A198-L201 WeakPolarHBondContact O-CB 3.27Å; A198-L201 PolarHBondContact O-N 3.21Å; A198-L201 VanDerWaalsContact O-N 3.11Å; A199-L201 VanDerWaalsContact C-N 3.28Å; A199-L201 PolarHBondContact O-N 3.28Å; L201-T204 PolarHBondContact O-N 2.91Å; L201-S205 WeakPolarHBondContact O-CB 3.36Å; L201-S205 PolarHBondContact O-N 3.03Å; L201-S205 PolarHBondContact O-OG 3.47Å; L201-L237 HydrophobicContact CB-CD2 4.23Å; L201-L237 HydrophobicContact CD1-CD2 4.02Å; L201-V240 HydrophobicContact CD1-CB 4.49Å; L201-V240 HydrophobicContact CD1-CG2 3.58Å
202R96.7Very high92.6Very high131 Ų13146.6 Ų46.649%0.49427%0.269SS..Hα-helixtrans-56.4-57.3173.2-72.8-172-63.9-95.81.6110.4D158 D196 A198 A199 T204 S205 Q206D158-R202 IonicContact OD2-CZ 3.81Å; D158-R202 IonicContact OD2-NE 3.89Å; D158-R202 PolarHBondContact OD2-NE 2.92Å; D158-R202 IonicContact OD2-NH2 3.2Å; D158-R202 PolarHBondContact OD2-NH2 2.86Å; D196-R202 IonicContact OD2-NH2 3.35Å; A198-R202 WeakPolarHBondContact O-CG 3.37Å; A198-R202 PolarHBondContact O-N 2.84Å; A199-R202 VanDerWaalsContact CA-NH2 3.29Å; A199-R202 PolarHBondContact O-N 3.08Å; R202-T204 PolarHBondContact O-N 3.24Å; R202-S205 PolarHBondContact O-N 3.1Å; R202-Q206 PolarHBondContact O-N 2.91Å; R202-Q206 VanDerWaalsContact O-N 3.08Å
203L97.4Very high93.1Very high0 Ų042.3 Ų42.30%025%0.25CS..Hα-helixtrans-60.1-44.8178.2-178.362.4000112.2I157 D158 L165 A199 S205 Q206 L207I157-L203 HydrophobicContact CG1-CD2 3.92Å; I157-L203 WeakPolarHBondContact O-CD2 3.4Å; D158-L203 HydrophobicContact CB-CB 4.06Å; L165-L203 HydrophobicContact CD1-CD1 4.5Å; A199-L203 PolarHBondContact O-N 3.41Å; L203-S205 VanDerWaalsContact C-N 3.3Å; L203-S205 PolarHBondContact O-N 2.75Å; L203-Q206 PolarHBondContact O-N 3.43Å; L203-L207 HydrophobicContact CD1-CD1 4.2Å; L203-L207 HydrophobicContact CD1-CD2 4.49Å; L203-L207 HydrophobicContact CD1-CG 4.07Å; L203-L207 HydrophobicContact CD2-CD1 4.38Å; L203-L207 HydrophobicContact CG-CD1 3.84Å; L203-L207 HydrophobicContact CG-CG 4.18Å; L203-L207 WeakPolarHBondContact O-CB 3.14Å; L203-L207 VanDerWaalsContact O-CG 3.23Å; L203-L207 WeakPolarHBondContact O-CG 3.47Å; L203-L207 PolarHBondContact O-N 2.71Å
204T97.3Very high93.7Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-60.8-40.7179.7-63.70000111.7L183 S186 A200 L201 R202 L207 M208 L237 V240 L241L183-T204 HydrophobicContact CD1-CG2 3.87Å; S186-T204 VanDerWaalsContact CB-OG1 3.25Å; S186-T204 WeakPolarHBondContact CB-OG1 3.46Å; S186-T204 PolarHBondContact OG-OG1 3.09Å; A200-T204 WeakPolarHBondContact O-CB 3.29Å; A200-T204 PolarHBondContact O-N 3.41Å; A200-T204 PolarHBondContact O-OG1 3.14Å; L201-T204 PolarHBondContact O-N 2.91Å; R202-T204 PolarHBondContact O-N 3.24Å; T204-L207 PolarHBondContact O-N 3.2Å; T204-M208 HydrophobicContact CG2-CG 4.48Å; T204-M208 VanDerWaalsContact O-CG 3.26Å; T204-M208 WeakPolarHBondContact O-CG 3.47Å; T204-M208 PolarHBondContact O-N 3.14Å; T204-L237 HydrophobicContact CG2-CD2 4.11Å; T204-V240 HydrophobicContact CG2-CG1 4.04Å; T204-L241 HydrophobicContact CG2-CD2 4.29Å
205S94.6Very high94.1Very high46 Ų4641.7 Ų41.732%0.32224%0.238SC..Hα-helixtrans-65.4-44.1178.5-57.30000111.4L201 R202 L203 M208 L209L201-S205 WeakPolarHBondContact O-CB 3.36Å; L201-S205 PolarHBondContact O-N 3.03Å; L201-S205 PolarHBondContact O-OG 3.47Å; R202-S205 PolarHBondContact O-N 3.1Å; L203-S205 VanDerWaalsContact C-N 3.3Å; L203-S205 PolarHBondContact O-N 2.75Å; S205-M208 PolarHBondContact O-N 3.43Å; S205-L209 WeakPolarHBondContact O-CG 3.48Å; S205-L209 PolarHBondContact O-N 3.03Å
206Q95.8Very high94.2Very high70 Ų7043 Ų4333%0.32724%0.244SC..Hα-helixtrans-62.4-43.7174.7-172.7175-10.600112.3N162 R202 L203 M208 L209 L210N162-Q206 PolarHBondContact ND2-OE1 3.48Å; N162-Q206 VanDerWaalsContact ND2-OE1 3.1Å; N162-Q206 VanDerWaalsContact OD1-CD 3.28Å; N162-Q206 PolarHBondContact OD1-NE2 3.12Å; N162-Q206 VanDerWaalsContact OD1-NE2 3.14Å; N162-Q206 PolarHBondContact OD1-OE1 2.9Å; R202-Q206 PolarHBondContact O-N 2.91Å; R202-Q206 VanDerWaalsContact O-N 3.08Å; L203-Q206 PolarHBondContact O-N 3.43Å; Q206-M208 VanDerWaalsContact C-N 3.33Å; Q206-M208 PolarHBondContact O-N 2.89Å; Q206-L209 PolarHBondContact O-N 3.28Å; Q206-L210 HydrophobicContact CG-CD1 4.25Å; Q206-L210 WeakPolarHBondContact O-CB 3.45Å; Q206-L210 WeakPolarHBondContact O-CG 3.48Å; Q206-L210 PolarHBondContact O-N 2.95Å
207L96.7Very high94.2Very high0 Ų044.4 Ų44.40%025%0.246CC..Hα-helixtrans-62.9-36.1174.3-68.1172.2000112.4L165 V171 L182 L183 L203 T204 G211 A212L165-L207 HydrophobicContact CD1-CD2 4.04Å; L165-L207 HydrophobicContact CD2-CD2 4.16Å; V171-L207 HydrophobicContact CG2-CB 4.25Å; V171-L207 HydrophobicContact CG2-CD2 3.53Å; V171-L207 HydrophobicContact CG2-CG 4.5Å; L182-L207 HydrophobicContact CB-CD1 3.82Å; L182-L207 HydrophobicContact CB-CD2 3.99Å; L182-L207 HydrophobicContact CD1-CD2 3.97Å; L183-L207 HydrophobicContact CB-CD1 4.24Å; L183-L207 HydrophobicContact CD1-CB 4.38Å; L183-L207 HydrophobicContact CD1-CD1 4.23Å; L203-L207 HydrophobicContact CD1-CD1 4.2Å; L203-L207 HydrophobicContact CD1-CD2 4.49Å; L203-L207 HydrophobicContact CD1-CG 4.07Å; L203-L207 HydrophobicContact CD2-CD1 4.38Å; L203-L207 HydrophobicContact CG-CD1 3.84Å; L203-L207 HydrophobicContact CG-CG 4.18Å; L203-L207 WeakPolarHBondContact O-CB 3.14Å; L203-L207 VanDerWaalsContact O-CG 3.23Å; L203-L207 WeakPolarHBondContact O-CG 3.47Å; L203-L207 PolarHBondContact O-N 2.71Å; T204-L207 PolarHBondContact O-N 3.2Å; L207-G211 PolarHBondContact O-N 3.32Å; L207-A212 HydrophobicContact CB-CB 4.1Å; L207-A212 VanDerWaalsContact O-CB 3.26Å; L207-A212 WeakPolarHBondContact O-CB 3.4Å; L207-A212 PolarHBondContact O-N 3.49Å
208M93.4Very high94.1Very high34 Ų3442.4 Ų42.417%0.16723%0.233CC..Hα-helixtrans-67.1-43174-71.4-66.595.900112L183 T204 S205 Q206 L210 G211 A212 V214 V240 L241 A244L183-M208 HydrophobicContact CD1-CE 3.7Å; L183-M208 HydrophobicContact CD2-CE 3.53Å; L183-M208 HydrophobicContact CG-CE 4.27Å; T204-M208 HydrophobicContact CG2-CG 4.48Å; T204-M208 VanDerWaalsContact O-CG 3.26Å; T204-M208 WeakPolarHBondContact O-CG 3.47Å; T204-M208 PolarHBondContact O-N 3.14Å; S205-M208 PolarHBondContact O-N 3.43Å; Q206-M208 VanDerWaalsContact C-N 3.33Å; Q206-M208 PolarHBondContact O-N 2.89Å; M208-L210 VanDerWaalsContact C-N 3.31Å; M208-L210 PolarHBondContact O-N 3.1Å; M208-G211 PolarHBondContact O-N 3.02Å; M208-G211 VanDerWaalsContact O-N 3.1Å; M208-A212 HydrophobicContact CE-CB 3.75Å; M208-A212 WeakPolarHBondContact CE-O 3.32Å; M208-V214 HydrophobicContact CE-CG2 3.66Å; M208-V214 HydrophobicContact SD-CG2 3.71Å; M208-V240 HydrophobicContact CG-CG1 4.16Å; M208-L241 HydrophobicContact CE-CD2 4.43Å; M208-A244 HydrophobicContact CG-CB 4.35Å; M208-A244 HydrophobicContact SD-CB 3.51Å; M208-A244 VanDerWaalsContact SD-CB 3.51Å
209L92.8Very high93.7Very high158 Ų15847.5 Ų47.583%0.82724%0.243SC*.Hα-helixtrans-61.6-39.2175.1-70.6169000111.9S205 Q206 G211S205-L209 WeakPolarHBondContact O-CG 3.48Å; S205-L209 PolarHBondContact O-N 3.03Å; Q206-L209 PolarHBondContact O-N 3.28Å; L209-G211 PolarHBondContact O-N 2.99Å
210L94.3Very high92.6Very high99 Ų9952.3 Ų52.352%0.51826%0.261SS..THydrogen-bonded Turntrans-76.4-1.5175.6-66.9172.9000114.2L165 V171 Q206 M208L165-L210 HydrophobicContact CD1-CD1 3.92Å; L165-L210 HydrophobicContact CD2-CD1 4.26Å; V171-L210 HydrophobicContact CB-CB 4.23Å; V171-L210 WeakPolarHBondContact CG1-O 3.39Å; V171-L210 HydrophobicContact CG2-CB 3.71Å; Q206-L210 HydrophobicContact CG-CD1 4.25Å; Q206-L210 WeakPolarHBondContact O-CB 3.45Å; Q206-L210 WeakPolarHBondContact O-CG 3.48Å; Q206-L210 PolarHBondContact O-N 2.95Å; M208-L210 VanDerWaalsContact C-N 3.31Å; M208-L210 PolarHBondContact O-N 3.1Å
211G93.1Very high91.8Very high46 Ų4652.8 Ų52.847%0.47426%0.264SS..THydrogen-bonded Turntrans88.432173.200000116.1N172 L207 M208 L209 D213N172-G211 PolarHBondContact ND2-O 3.38Å; L207-G211 PolarHBondContact O-N 3.32Å; M208-G211 PolarHBondContact O-N 3.02Å; M208-G211 VanDerWaalsContact O-N 3.1Å; L209-G211 PolarHBondContact O-N 2.99Å; G211-D213 PolarHBondContact O-N 2.96Å
212A95.1Very high91.4Very high10 Ų1052.9 Ų52.98%0.08327%0.265CS..  trans-63.3132.5171.300000112.2V171 N172 L183 L207 M208 V214V171-A212 HydrophobicContact CG1-CB 4.36Å; V171-A212 HydrophobicContact CG2-CB 3.89Å; N172-A212 WeakPolarHBondContact OD1-CA 3.38Å; L183-A212 HydrophobicContact CD2-CB 4.19Å; L207-A212 HydrophobicContact CB-CB 4.1Å; L207-A212 VanDerWaalsContact O-CB 3.26Å; L207-A212 WeakPolarHBondContact O-CB 3.4Å; L207-A212 PolarHBondContact O-N 3.49Å; M208-A212 HydrophobicContact CE-CB 3.75Å; M208-A212 WeakPolarHBondContact CE-O 3.32Å; A212-V214 PolarHBondContact O-N 3.37Å
213D92.6Very high91.2Very high50 Ų5046.8 Ų46.827%0.26724%0.242SC..  trans-90.7102-178.6179.87.6000110.7N172 G211 S215 L216N172-D213 PolarHBondContact OD1-N 2.64Å; G211-D213 PolarHBondContact O-N 2.96Å; D213-S215 VanDerWaalsContact CG-OG 3.23Å; D213-S215 PolarHBondContact O-N 2.86Å; D213-S215 VanDerWaalsContact OD1-CB 3.32Å; D213-S215 WeakPolarHBondContact OD1-CB 3.1Å; D213-S215 PolarHBondContact OD1-N 3.05Å; D213-S215 PolarHBondContact OD1-OG 3.36Å; D213-S215 PolarHBondContact OD2-OG 2.87Å; D213-S215 VanDerWaalsContact OD2-OG 3.12Å; D213-L216 HydrophobicContact CB-CD1 4.06Å; D213-L216 HydrophobicContact CB-CG 3.87Å; D213-L216 WeakPolarHBondContact O-CB 3.46Å; D213-L216 WeakPolarHBondContact O-CG 3.18Å; D213-L216 PolarHBondContact O-N 3.04Å
214V93.1Very high91.1Very high6 Ų647 Ų474%0.03624%0.243CC..THydrogen-bonded Turntrans-54.3-18.6175.4-167.90000113.2L183 M208 A212 N224 A225 L241 A245 V249L183-V214 HydrophobicContact CD2-CG2 4.17Å; M208-V214 HydrophobicContact CE-CG2 3.66Å; M208-V214 HydrophobicContact SD-CG2 3.71Å; A212-V214 PolarHBondContact O-N 3.37Å; V214-N224 WeakPolarHBondContact O-CB 3.4Å; V214-A225 HydrophobicContact CG1-CB 4.42Å; V214-L241 HydrophobicContact CG1-CB 4.12Å; V214-L241 HydrophobicContact CG1-CD2 3.91Å; V214-L241 HydrophobicContact CG1-CG 4.4Å; V214-L241 HydrophobicContact CG2-CD2 3.98Å; V214-A245 HydrophobicContact CB-CB 4.12Å; V214-A245 HydrophobicContact CG1-CB 4.15Å; V214-A245 HydrophobicContact CG2-CB 4.3Å; V214-V249 HydrophobicContact CG1-CG1 4.12Å
215S91.6Very high91Very high47 Ų4747 Ų4733%0.32924%0.243SC..THydrogen-bonded Turntrans-86-8.7178.575.90000115D213 R217D213-S215 VanDerWaalsContact CG-OG 3.23Å; D213-S215 PolarHBondContact O-N 2.86Å; D213-S215 VanDerWaalsContact OD1-CB 3.32Å; D213-S215 WeakPolarHBondContact OD1-CB 3.1Å; D213-S215 PolarHBondContact OD1-N 3.05Å; D213-S215 PolarHBondContact OD1-OG 3.36Å; D213-S215 PolarHBondContact OD2-OG 2.87Å; D213-S215 VanDerWaalsContact OD2-OG 3.12Å; S215-R217 VanDerWaalsContact O-CG 3.26Å; S215-R217 WeakPolarHBondContact O-CG 3.02Å
216L93.5Very high91.1Very high36 Ų3644.8 Ų44.819%0.18823%0.227CC..  trans-63.6145.8172.6-61.9176.2000110.9N172 T181 H184 D213 N224N172-L216 HydrophobicContact CB-CD1 3.69Å; N172-L216 WeakPolarHBondContact OD1-CD1 3.45Å; T181-L216 HydrophobicContact CG2-CD1 4.03Å; H184-L216 PolarHBondContact CE1-O 2.97Å; H184-L216 PolarHBondContact NE2-O 2.96Å; D213-L216 HydrophobicContact CB-CD1 4.06Å; D213-L216 HydrophobicContact CB-CG 3.87Å; D213-L216 WeakPolarHBondContact O-CB 3.46Å; D213-L216 WeakPolarHBondContact O-CG 3.18Å; D213-L216 PolarHBondContact O-N 3.04Å; L216-N224 VanDerWaalsContact O-CA 3.3Å; L216-N224 WeakPolarHBondContact O-CA 3.03Å; L216-N224 WeakPolarHBondContact O-CB 3.45Å
217R91.5Very high91Very high70 Ų7041.4 Ų41.426%0.26421%0.212SC..BIsolated β-bridgetrans-131.9137.6-170.3-33.9-173.671.7166.74110R174 S215 N222 M223 N224 T253R174-R217 PolarHBondContact NH1-O 3.31Å; S215-R217 VanDerWaalsContact O-CG 3.26Å; S215-R217 WeakPolarHBondContact O-CG 3.02Å; R217-N222 VanDerWaalsContact CD-OD1 3.25Å; R217-N222 WeakPolarHBondContact CD-OD1 3.48Å; R217-N222 PolarHBondContact NE-O 3.3Å; R217-N222 PolarHBondContact NE-OD1 3.3Å; R217-N222 PolarHBondContact NH1-OD1 3.18Å; R217-N222 PolarHBondContact NH2-O 3.06Å; R217-M223 CarbonylContact C-O 3.6Å; R217-M223 VanDerWaalsContact CA-O 3.26Å; R217-M223 WeakPolarHBondContact CA-O 3.31Å; R217-N224 HydrophobicContact CG-CB 4.38Å; R217-T253 PolarHBondContact NH1-O 3.28Å; R217-T253 VanDerWaalsContact NH2-C 3.3Å; R217-T253 PolarHBondContact NH2-O 2.83Å
218S88.3Confident91Very high2 Ų241.5 Ų41.51%0.01421%0.212CC..  trans-70.6135.1173.254.40000111.3W220 T221 N222 M223 Y228S218-W220 PolarHBondContact O-N 3.09Å; S218-T221 PolarHBondContact OG-OG1 3.43Å; S218-T221 VanDerWaalsContact OG-OG1 3.1Å; S218-N222 VanDerWaalsContact O-CA 3.27Å; S218-N222 WeakPolarHBondContact O-CA 3.46Å; S218-N222 PolarHBondContact O-N 3.01Å; S218-M223 PolarHBondContact N-O 3.44Å; S218-M223 PolarHBondContact OG-O 2.98Å; S218-Y228 PolarHBondContact OG-OH 3.34Å
219R82.4Confident91.1Very high149 Ų14939.9 Ų39.956%0.56220%0.204SC*.THydrogen-bonded Turntrans-50.7-46.3-175.7-175.4-174.4-50.5-1787.7115D179D179-R219 HydrophobicContact CB-CB 3.51Å; D179-R219 VanDerWaalsContact CG-CB 3.43Å; D179-R219 IonicContact OD1-CZ 3.85Å; D179-R219 VanDerWaalsContact OD1-CZ 3.31Å; D179-R219 IonicContact OD1-NE 2.7Å; D179-R219 PolarHBondContact OD1-NE 3.41Å; D179-R219 VanDerWaalsContact OD1-NE 3.12Å; D179-R219 IonicContact OD1-NH2 3.31Å; D179-R219 PolarHBondContact OD1-NH2 2.84Å; D179-R219 WeakPolarHBondContact OD2-CB 3.26Å; D179-R219 PolarHBondContact OD2-N 2.74Å
220W72.7Confident91.3Very high102 Ų10232.4 Ų32.439%0.38617%0.165SC..THydrogen-bonded Turntrans-75-32.8-168.3-58.3111.7000113.8L177 S218 Q609L177-W220 PolarHBondContact O-NE1 3.07Å; S218-W220 PolarHBondContact O-N 3.09Å; W220-Q609 HydrophobicContact CH2-CB 4.29Å; W220-Q609 HydrophobicContact CZ3-CB 4.39Å
221T79.8Confident91.3Very high10 Ų1029.4 Ų29.46%0.06115%0.147CC..THydrogen-bonded Turntrans-121.5-14.1-165.977.10000111.6S218 M223 D256 W602S218-T221 PolarHBondContact OG-OG1 3.43Å; S218-T221 VanDerWaalsContact OG-OG1 3.1Å; T221-M223 PolarHBondContact O-N 3.46Å; T221-M223 PolarHBondContact OG1-N 3.12Å; T221-D256 PolarHBondContact O-N 3.25Å; T221-W602 HydrophobicContact CG2-CD2 3.95Å; T221-W602 HydrophobicContact CG2-CE3 4.12Å; T221-W602 HydrophobicContact CG2-CH2 3.61Å; T221-W602 HydrophobicContact CG2-CZ2 3.36Å; T221-W602 HydrophobicContact CG2-CZ3 3.96Å; T221-W602 WeakPolarHBondContact OG1-CH2 3.4Å
222N87.3Confident91.3Very high44 Ų4427.4 Ų27.424%0.23513%0.125CC..  trans59.121.9-179.2-160.29.9000111.9R217 S218 C254 S255R217-N222 VanDerWaalsContact CD-OD1 3.25Å; R217-N222 WeakPolarHBondContact CD-OD1 3.48Å; R217-N222 PolarHBondContact NE-O 3.3Å; R217-N222 PolarHBondContact NE-OD1 3.3Å; R217-N222 PolarHBondContact NH1-OD1 3.18Å; R217-N222 PolarHBondContact NH2-O 3.06Å; S218-N222 VanDerWaalsContact O-CA 3.27Å; S218-N222 WeakPolarHBondContact O-CA 3.46Å; S218-N222 PolarHBondContact O-N 3.01Å; N222-C254 WeakPolarHBondContact O-CB 3.21Å; N222-S255 WeakPolarHBondContact CB-OG 3.46Å
223M92Very high91.2Very high4 Ų429 Ų292%0.0213%0.133CC..  trans-85.7142.4173.7-76.6169.558.700109.6R217 S218 T221 H227 Y228 Y231 C254 I265 W602R217-M223 CarbonylContact C-O 3.6Å; R217-M223 VanDerWaalsContact CA-O 3.26Å; R217-M223 WeakPolarHBondContact CA-O 3.31Å; S218-M223 PolarHBondContact N-O 3.44Å; S218-M223 PolarHBondContact OG-O 2.98Å; T221-M223 PolarHBondContact O-N 3.46Å; T221-M223 PolarHBondContact OG1-N 3.12Å; M223-H227 HydrophobicContact CB-CB 3.8Å; M223-H227 HydrophobicContact CE-CB 3.83Å; M223-H227 HydrophobicContact CG-CB 3.75Å; M223-Y228 HydrophobicContact CB-CD2 3.79Å; M223-Y228 HydrophobicContact CB-CE2 3.41Å; M223-Y228 VanDerWaalsContact CB-CE2 3.41Å; M223-Y228 HydrophobicContact CE-CD2 3.94Å; M223-Y228 HydrophobicContact CE-CE2 4.23Å; M223-Y228 HydrophobicContact CE-CG 4.35Å; M223-Y231 HydrophobicContact CE-CD2 4.3Å; M223-Y231 HydrophobicContact CE-CG 4.41Å; M223-C254 HydrophobicContact CB-CB 4.37Å; M223-C254 HydrophobicContact CG-CB 3.49Å; M223-C254 VanDerWaalsContact CG-CB 3.49Å; M223-C254 VanDerWaalsContact CG-SG 3.52Å; M223-I265 HydrophobicContact CE-CD1 4.04Å; M223-I265 HydrophobicContact CG-CD1 4.49Å; M223-I265 HydrophobicContact SD-CD1 4.19Å; M223-W602 HydrophobicContact CE-CH2 3.96Å; M223-W602 HydrophobicContact CE-CZ2 4.38Å; M223-W602 HydrophobicContact SD-CH2 3.59Å; M223-W602 VanDerWaalsContact SD-CH2 3.59Å; M223-W602 HydrophobicContact SD-CZ2 3.6Å; M223-W602 VanDerWaalsContact SD-CZ2 3.6Å
224N94.7Very high91.3Very high3 Ų326.7 Ų26.72%0.01612%0.12CC..BIsolated β-bridgetrans-103.3171.2167.962.831.9000110H184 V214 L216 R217 L226 H227 Y228 S252H184-N224 WeakPolarHBondContact NE2-CA 3.45Å; V214-N224 WeakPolarHBondContact O-CB 3.4Å; L216-N224 VanDerWaalsContact O-CA 3.3Å; L216-N224 WeakPolarHBondContact O-CA 3.03Å; L216-N224 WeakPolarHBondContact O-CB 3.45Å; R217-N224 HydrophobicContact CG-CB 4.38Å; N224-L226 PolarHBondContact O-N 3.11Å; N224-L226 PolarHBondContact OD1-N 3.3Å; N224-H227 VanDerWaalsContact CG-ND1 3.34Å; N224-H227 WeakPolarHBondContact O-CA 3.26Å; N224-H227 WeakPolarHBondContact O-CB 3.25Å; N224-H227 PolarHBondContact O-N 3.05Å; N224-H227 PolarHBondContact OD1-N 2.89Å; N224-H227 PolarHBondContact OD1-ND1 3.22Å; N224-Y228 WeakPolarHBondContact O-CD2 3.34Å; N224-Y228 PolarHBondContact O-N 2.89Å; N224-S252 PolarHBondContact ND2-OG 3.16Å
225A95.4Very high91.3Very high0 Ų027.2 Ų27.20%012%0.124CC..Hα-helixtrans-46-41.8-177.800000114.3L183 H184 C187 V214 H227 Y228 A229 L241L183-A225 HydrophobicContact CD2-CB 3.73Å; L183-A225 HydrophobicContact CG-CB 3.74Å; H184-A225 PolarHBondContact NE2-N 2.68Å; C187-A225 PolarHBondContact SG-O 3.33Å; V214-A225 HydrophobicContact CG1-CB 4.42Å; A225-H227 VanDerWaalsContact C-N 3.34Å; A225-H227 PolarHBondContact O-N 3.09Å; A225-Y228 WeakPolarHBondContact O-CB 3.13Å; A225-Y228 PolarHBondContact O-N 3.12Å; A225-A229 PolarHBondContact O-N 2.98Å; A225-L241 HydrophobicContact CB-CD1 4.01Å; A225-L241 HydrophobicContact CB-CD2 4.23Å
226L96.1Very high91.2Very high0 Ų028.4 Ų28.40%012%0.124CC..Hα-helixtrans-62.1-37.9177.7-178.268.3000113N224 Y228 A230 I238 L241 L242 V249 A262 L278N224-L226 PolarHBondContact O-N 3.11Å; N224-L226 PolarHBondContact OD1-N 3.3Å; L226-Y228 VanDerWaalsContact C-N 3.31Å; L226-A230 VanDerWaalsContact O-CB 3.29Å; L226-A230 WeakPolarHBondContact O-CB 3.46Å; L226-A230 PolarHBondContact O-N 3.07Å; L226-I238 HydrophobicContact CD1-CB 4.42Å; L226-I238 HydrophobicContact CD1-CG1 4.23Å; L226-I238 HydrophobicContact CD1-CG2 4.04Å; L226-L241 HydrophobicContact CB-CD1 4.37Å; L226-L242 HydrophobicContact CD1-CD1 4.14Å; L226-L242 HydrophobicContact CD1-CD2 4.04Å; L226-L242 HydrophobicContact CD1-CG 3.9Å; L226-L242 HydrophobicContact CD2-CD2 3.76Å; L226-V249 HydrophobicContact CB-CG1 4.25Å; L226-V249 HydrophobicContact CD2-CG1 4.02Å; L226-A262 HydrophobicContact CD2-CB 4.39Å; L226-A262 HydrophobicContact CG-CB 4.17Å; L226-L278 HydrophobicContact CD1-CD2 4.16Å
227H95.4Very high91.3Very high0 Ų026.7 Ų26.70%012%0.115CC..Hα-helixtrans-67.8-31.9174.9-65.177.6000111.6M223 N224 A225 Y231 S252 C254 I265M223-H227 HydrophobicContact CB-CB 3.8Å; M223-H227 HydrophobicContact CE-CB 3.83Å; M223-H227 HydrophobicContact CG-CB 3.75Å; N224-H227 VanDerWaalsContact CG-ND1 3.34Å; N224-H227 WeakPolarHBondContact O-CA 3.26Å; N224-H227 WeakPolarHBondContact O-CB 3.25Å; N224-H227 PolarHBondContact O-N 3.05Å; N224-H227 PolarHBondContact OD1-N 2.89Å; N224-H227 PolarHBondContact OD1-ND1 3.22Å; A225-H227 VanDerWaalsContact C-N 3.34Å; A225-H227 PolarHBondContact O-N 3.09Å; H227-Y231 VanDerWaalsContact O-CB 3.23Å; H227-Y231 WeakPolarHBondContact O-CB 3.15Å; H227-Y231 PolarHBondContact O-N 2.92Å; H227-S252 PolarHBondContact CE1-O 3.4Å; H227-S252 PolarHBondContact CE1-OG 3.03Å; H227-S252 PolarHBondContact NE2-O 3.02Å; H227-C254 PolarHBondContact NE2-N 2.83Å; H227-I265 HydrophobicContact CB-CD1 3.92Å
228Y95.1Very high91.5Very high2 Ų223.3 Ų23.31%0.00810%0.102CC..Hα-helixtrans-71.4-47.7175.4-77.3-116.9000110.6M180 H184 S218 M223 N224 A225 L226 A230 Y231 F232 W599 W602M180-Y228 HydrophobicContact CE-CD1 4.25Å; M180-Y228 HydrophobicContact CE-CE1 3.59Å; M180-Y228 HydrophobicContact CG-CE1 4.32Å; M180-Y228 WeakPolarHBondContact CG-OH 3.47Å; M180-Y228 HydrophobicContact SD-CE1 3.6Å; M180-Y228 PolarHBondContact SD-OH 2.89Å; H184-Y228 HydrophobicContact CB-CE1 4.43Å; H184-Y228 AromaticContact CD2-CD2 3.81Å; H184-Y228 AromaticContact CD2-CE2 3.57Å; S218-Y228 PolarHBondContact OG-OH 3.34Å; M223-Y228 HydrophobicContact CB-CD2 3.79Å; M223-Y228 HydrophobicContact CB-CE2 3.41Å; M223-Y228 VanDerWaalsContact CB-CE2 3.41Å; M223-Y228 HydrophobicContact CE-CD2 3.94Å; M223-Y228 HydrophobicContact CE-CE2 4.23Å; M223-Y228 HydrophobicContact CE-CG 4.35Å; N224-Y228 WeakPolarHBondContact O-CD2 3.34Å; N224-Y228 PolarHBondContact O-N 2.89Å; A225-Y228 WeakPolarHBondContact O-CB 3.13Å; A225-Y228 PolarHBondContact O-N 3.12Å; L226-Y228 VanDerWaalsContact C-N 3.31Å; Y228-A230 PolarHBondContact O-N 3.22Å; Y228-Y231 WeakPolarHBondContact O-CA 3.23Å; Y228-Y231 WeakPolarHBondContact O-CB 3.36Å; Y228-Y231 PolarHBondContact O-N 2.84Å; Y228-F232 HydrophobicContact CD1-CE2 4.19Å; Y228-F232 VanDerWaalsContact O-CD2 3.26Å; Y228-F232 WeakPolarHBondContact O-CD2 3.29Å; Y228-F232 PolarHBondContact O-N 2.82Å; Y228-W599 HydrophobicContact CE1-CH2 4.49Å; Y228-W599 HydrophobicContact CE1-CZ3 4.09Å; Y228-W602 HydrophobicContact CE1-CH2 4.21Å; Y228-W602 AromaticContact CE1-CZ3 3.75Å; Y228-W602 HydrophobicContact CE1-CZ3 3.75Å; Y228-W602 HydrophobicContact CE2-CH2 4.39Å; Y228-W602 AromaticContact CZ-CH2 3.88Å; Y228-W602 AromaticContact CZ-CZ3 3.68Å; Y228-W602 WeakPolarHBondContact OH-CZ3 3.3Å
229A96.3Very high91.5Very high0 Ų025.3 Ų25.30%011%0.11CC..Hα-helixtrans-59.7-36.4176.700000112.3C187 A225 D233 V234 L237 I238 L241C187-A229 HydrophobicContact CB-CB 4.25Å; A225-A229 PolarHBondContact O-N 2.98Å; A229-D233 PolarHBondContact O-N 3.41Å; A229-V234 PolarHBondContact O-N 2.88Å; A229-L237 HydrophobicContact CB-CB 4.11Å; A229-I238 HydrophobicContact CB-CG1 3.75Å; A229-L241 HydrophobicContact CB-CD1 4.21Å
230A96.3Very high92Very high0 Ų019.8 Ų19.80%09%0.092CC..Hα-helixtrans-73.5-23.8172.600000114.6L226 Y228 I238 A262 A266 L278L226-A230 VanDerWaalsContact O-CB 3.29Å; L226-A230 WeakPolarHBondContact O-CB 3.46Å; L226-A230 PolarHBondContact O-N 3.07Å; Y228-A230 PolarHBondContact O-N 3.22Å; A230-I238 HydrophobicContact CB-CD1 4.26Å; A230-A262 HydrophobicContact CB-CB 3.83Å; A230-A266 HydrophobicContact CB-CB 4.37Å; A230-L278 HydrophobicContact CB-CD1 3.98Å
231Y94.5Very high92.9Very high37 Ų3715 Ų1515%0.1457%0.074CC..Hα-helixtrans-75.8-36.6175.9-176.3-84.7000112.2M223 H227 Y228 I265 N269 L595 C598M223-Y231 HydrophobicContact CE-CD2 4.3Å; M223-Y231 HydrophobicContact CE-CG 4.41Å; H227-Y231 VanDerWaalsContact O-CB 3.23Å; H227-Y231 WeakPolarHBondContact O-CB 3.15Å; H227-Y231 PolarHBondContact O-N 2.92Å; Y228-Y231 WeakPolarHBondContact O-CA 3.23Å; Y228-Y231 WeakPolarHBondContact O-CB 3.36Å; Y228-Y231 PolarHBondContact O-N 2.84Å; Y231-I265 HydrophobicContact CD2-CG2 3.61Å; Y231-I265 HydrophobicContact CG-CG2 4.17Å; Y231-N269 WeakPolarHBondContact CD2-ND2 3.36Å; Y231-N269 VanDerWaalsContact CE2-ND2 3.28Å; Y231-N269 WeakPolarHBondContact CE2-ND2 3.4Å; Y231-N269 PolarHBondContact O-ND2 3.05Å; Y231-L595 HydrophobicContact CD1-CD2 4.02Å; Y231-L595 HydrophobicContact CE1-CD2 3.65Å; Y231-C598 WeakPolarHBondContact OH-CB 3.5Å
232F93.3Very high93.4Very high4 Ų415.5 Ų15.52%0.0188%0.076CC..THydrogen-bonded Turntrans-98.18.3-175-72-68.6000114.4W149 K188 A191 Y228 V234 L595 W599W149-F232 AromaticContact CH2-CD1 3.96Å; W149-F232 HydrophobicContact CH2-CD1 3.96Å; W149-F232 AromaticContact CH2-CE1 3.64Å; W149-F232 HydrophobicContact CH2-CE1 3.64Å; W149-F232 HydrophobicContact CH2-CZ 4.29Å; W149-F232 HydrophobicContact CZ2-CD1 4.12Å; W149-F232 AromaticContact CZ2-CE1 3.6Å; W149-F232 HydrophobicContact CZ2-CE1 3.6Å; W149-F232 HydrophobicContact CZ2-CZ 4.46Å; K188-F232 HydrophobicContact CB-CD2 4.31Å; K188-F232 HydrophobicContact CB-CE2 3.85Å; K188-F232 HydrophobicContact CB-CZ 4.35Å; K188-F232 HydrophobicContact CG-CE2 4.04Å; K188-F232 HydrophobicContact CG-CZ 4.02Å; A191-F232 HydrophobicContact CB-CB 3.79Å; A191-F232 HydrophobicContact CB-CD1 3.63Å; A191-F232 HydrophobicContact CB-CG 3.97Å; Y228-F232 HydrophobicContact CD1-CE2 4.19Å; Y228-F232 VanDerWaalsContact O-CD2 3.26Å; Y228-F232 WeakPolarHBondContact O-CD2 3.29Å; Y228-F232 PolarHBondContact O-N 2.82Å; F232-V234 HydrophobicContact CB-CG2 3.81Å; F232-L595 HydrophobicContact CD1-CB 4.5Å; F232-L595 HydrophobicContact CD1-CD1 4.13Å; F232-L595 HydrophobicContact CD1-CD2 3.86Å; F232-L595 HydrophobicContact CD1-CG 4.39Å; F232-L595 HydrophobicContact CE1-CB 4.4Å; F232-L595 HydrophobicContact CE1-CD2 4.18Å; F232-W599 AromaticContact CZ-CE3 3.94Å; F232-W599 HydrophobicContact CZ-CE3 3.94Å; F232-W599 HydrophobicContact CZ-CZ3 4.41Å
233D94.1Very high93.3Very high44 Ų4421.4 Ų21.424%0.23510%0.1CC..THydrogen-bonded Turntrans54.847.4-176.7-151.117.7000115.3A229 P235 C271 S273 A274A229-D233 PolarHBondContact O-N 3.41Å; D233-P235 WeakPolarHBondContact O-CD 3.38Å; D233-C271 HydrophobicContact CB-CB 3.63Å; D233-C271 VanDerWaalsContact CG-CB 3.44Å; D233-C271 VanDerWaalsContact OD1-C 3.28Å; D233-C271 WeakPolarHBondContact OD1-CA 3.15Å; D233-C271 WeakPolarHBondContact OD1-CB 3.41Å; D233-C271 WeakPolarHBondContact OD2-CA 3.36Å; D233-S273 WeakPolarHBondContact OD1-CB 3.21Å; D233-S273 PolarHBondContact OD1-N 3.49Å; D233-A274 VanDerWaalsContact OD1-CB 3.29Å; D233-A274 WeakPolarHBondContact OD1-CB 3.22Å; D233-A274 PolarHBondContact OD1-N 3.27Å
234V94.7Very high92.5Very high1 Ų124.2 Ų24.21%0.00612%0.123CC..  trans-108.581.5-175.7-158.80000111.8G190 A229 F232 E236 L237 I238G190-V234 WeakPolarHBondContact O-CG2 3.23Å; A229-V234 PolarHBondContact O-N 2.88Å; F232-V234 HydrophobicContact CB-CG2 3.81Å; V234-E236 VanDerWaalsContact C-N 3.34Å; V234-E236 PolarHBondContact O-N 3.31Å; V234-L237 HydrophobicContact CB-CB 4.47Å; V234-L237 HydrophobicContact CB-CD1 4.28Å; V234-L237 HydrophobicContact CB-CG 4.41Å; V234-L237 HydrophobicContact CG1-CB 4.16Å; V234-L237 HydrophobicContact CG1-CD1 3.71Å; V234-L237 HydrophobicContact CG1-CG 3.66Å; V234-L237 PolarHBondContact O-N 2.86Å; V234-I238 WeakPolarHBondContact O-CG1 3.4Å; V234-I238 PolarHBondContact O-N 3.39Å
235P91.6Very high91.7Very high17 Ų1725 Ų2511%0.1113%0.131CC..Hα-helixtrans-65.6-30.5-173.728.4-36.5000113.7D233 L237 I238 R239 C277D233-P235 WeakPolarHBondContact O-CD 3.38Å; P235-L237 VanDerWaalsContact C-N 3.32Å; P235-L237 PolarHBondContact O-N 2.85Å; P235-I238 WeakPolarHBondContact O-CB 3.44Å; P235-I238 PolarHBondContact O-N 2.86Å; P235-I238 VanDerWaalsContact O-N 3.13Å; P235-R239 WeakPolarHBondContact O-CG 3.48Å; P235-R239 PolarHBondContact O-N 2.93Å; P235-C277 HydrophobicContact CB-CB 3.84Å
236E91.1Very high90.7Very high71 Ų7131.6 Ų31.633%0.33216%0.159SC..Hα-helixtrans-58.7-46.2178.6-64.463.3-137.300110.6V234 R239 V240V234-E236 VanDerWaalsContact C-N 3.34Å; V234-E236 PolarHBondContact O-N 3.31Å; E236-R239 PolarHBondContact O-N 2.9Å; E236-V240 PolarHBondContact O-N 3.16Å; E236-V240 VanDerWaalsContact O-N 3.1Å
237L94.5Very high89.4Confident0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-70.3-36.2177-58.3-176.6000111A200 L201 T204 A229 V234 P235 R239 V240 L241A200-L237 HydrophobicContact CB-CD1 4.02Å; L201-L237 HydrophobicContact CB-CD2 4.23Å; L201-L237 HydrophobicContact CD1-CD2 4.02Å; T204-L237 HydrophobicContact CG2-CD2 4.11Å; A229-L237 HydrophobicContact CB-CB 4.11Å; V234-L237 HydrophobicContact CB-CB 4.47Å; V234-L237 HydrophobicContact CB-CD1 4.28Å; V234-L237 HydrophobicContact CB-CG 4.41Å; V234-L237 HydrophobicContact CG1-CB 4.16Å; V234-L237 HydrophobicContact CG1-CD1 3.71Å; V234-L237 HydrophobicContact CG1-CG 3.66Å; V234-L237 PolarHBondContact O-N 2.86Å; P235-L237 VanDerWaalsContact C-N 3.32Å; P235-L237 PolarHBondContact O-N 2.85Å; L237-R239 VanDerWaalsContact C-N 3.32Å; L237-R239 PolarHBondContact O-N 2.74Å; L237-V240 PolarHBondContact O-N 2.86Å; L237-L241 VanDerWaalsContact O-CB 3.25Å; L237-L241 WeakPolarHBondContact O-CB 3.26Å; L237-L241 WeakPolarHBondContact O-CG 3.33Å; L237-L241 PolarHBondContact O-N 2.69Å
238I95.1Very high88.5Confident0 Ų048.4 Ų48.40%024%0.238CC..Hα-helixtrans-57.8-44.7171.8-65.6171.6000110.7L226 A229 A230 V234 P235 L242 A274 C277 L278L226-I238 HydrophobicContact CD1-CB 4.42Å; L226-I238 HydrophobicContact CD1-CG1 4.23Å; L226-I238 HydrophobicContact CD1-CG2 4.04Å; A229-I238 HydrophobicContact CB-CG1 3.75Å; A230-I238 HydrophobicContact CB-CD1 4.26Å; V234-I238 WeakPolarHBondContact O-CG1 3.4Å; V234-I238 PolarHBondContact O-N 3.39Å; P235-I238 WeakPolarHBondContact O-CB 3.44Å; P235-I238 PolarHBondContact O-N 2.86Å; P235-I238 VanDerWaalsContact O-N 3.13Å; I238-L242 HydrophobicContact CG2-CD1 3.61Å; I238-L242 HydrophobicContact CG2-CG 4.39Å; I238-L242 VanDerWaalsContact O-CB 3.29Å; I238-L242 WeakPolarHBondContact O-CB 3.47Å; I238-L242 VanDerWaalsContact O-CG 3.25Å; I238-L242 WeakPolarHBondContact O-CG 3.42Å; I238-L242 PolarHBondContact O-N 3.33Å; I238-A274 HydrophobicContact CD1-CB 3.49Å; I238-A274 VanDerWaalsContact CD1-CB 3.49Å; I238-C277 HydrophobicContact CG2-CB 4.29Å; I238-L278 HydrophobicContact CD1-CG 4.3Å; I238-L278 HydrophobicContact CG2-CD2 3.86Å; I238-L278 HydrophobicContact CG2-CG 4.22Å
239R90Very high88Confident44 Ų4448.7 Ų48.717%0.16624%0.24CC..Hα-helixtrans-59.8-50.4175.8-64-171.4-169.1-72.2-11.7111.7P235 E236 L237 L242 K243 C277 E280 N343P235-R239 WeakPolarHBondContact O-CG 3.48Å; P235-R239 PolarHBondContact O-N 2.93Å; E236-R239 PolarHBondContact O-N 2.9Å; L237-R239 VanDerWaalsContact C-N 3.32Å; L237-R239 PolarHBondContact O-N 2.74Å; R239-L242 PolarHBondContact O-N 2.91Å; R239-K243 WeakPolarHBondContact O-CB 3.44Å; R239-K243 PolarHBondContact O-N 2.88Å; R239-C277 VanDerWaalsContact CG-SG 3.56Å; R239-E280 IonicContact CZ-OE2 3.68Å; R239-E280 IonicContact NH1-OE2 2.65Å; R239-E280 PolarHBondContact NH1-OE2 2.71Å; R239-E280 IonicContact NH2-OE1 3.55Å; R239-E280 IonicContact NH2-OE2 2.76Å; R239-E280 PolarHBondContact NH2-OE2 2.92Å; R239-N343 PolarHBondContact NE-O 3.3Å
240V91.5Very high87.6Confident33 Ų3349.6 Ų49.620%0.225%0.245CC..Hα-helixtrans-65.1-47.2-179.1172.30000112L201 T204 M208 E236 L237 L242 K243 A244L201-V240 HydrophobicContact CD1-CB 4.49Å; L201-V240 HydrophobicContact CD1-CG2 3.58Å; T204-V240 HydrophobicContact CG2-CG1 4.04Å; M208-V240 HydrophobicContact CG-CG1 4.16Å; E236-V240 PolarHBondContact O-N 3.16Å; E236-V240 VanDerWaalsContact O-N 3.1Å; L237-V240 PolarHBondContact O-N 2.86Å; V240-L242 VanDerWaalsContact C-N 3.32Å; V240-L242 PolarHBondContact O-N 3.46Å; V240-K243 WeakPolarHBondContact O-CB 3.19Å; V240-K243 PolarHBondContact O-N 3.3Å; V240-A244 PolarHBondContact O-N 2.94Å
241L92.9Very high87.2Confident0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-58.8-43.3177.8-69.4178.9000111.4L183 T204 M208 V214 A225 L226 A229 L237 A244 A245L183-L241 HydrophobicContact CD1-CD2 3.92Å; L183-L241 HydrophobicContact CD2-CD2 4.02Å; L183-L241 HydrophobicContact CG-CD2 4.18Å; T204-L241 HydrophobicContact CG2-CD2 4.29Å; M208-L241 HydrophobicContact CE-CD2 4.43Å; V214-L241 HydrophobicContact CG1-CB 4.12Å; V214-L241 HydrophobicContact CG1-CD2 3.91Å; V214-L241 HydrophobicContact CG1-CG 4.4Å; V214-L241 HydrophobicContact CG2-CD2 3.98Å; A225-L241 HydrophobicContact CB-CD1 4.01Å; A225-L241 HydrophobicContact CB-CD2 4.23Å; L226-L241 HydrophobicContact CB-CD1 4.37Å; A229-L241 HydrophobicContact CB-CD1 4.21Å; L237-L241 VanDerWaalsContact O-CB 3.25Å; L237-L241 WeakPolarHBondContact O-CB 3.26Å; L237-L241 WeakPolarHBondContact O-CG 3.33Å; L237-L241 PolarHBondContact O-N 2.69Å; L241-A244 PolarHBondContact O-N 3.35Å; L241-A245 WeakPolarHBondContact O-CA 3.39Å; L241-A245 WeakPolarHBondContact O-CB 3.4Å; L241-A245 PolarHBondContact O-N 3.19Å
242L89.3Confident86.9Confident21 Ų2151.7 Ų51.711%0.1126%0.261CS..Hα-helixtrans-77.9-19.5-179.9-67174.9000114L226 I238 R239 V240 L250 L278 H281L226-L242 HydrophobicContact CD1-CD1 4.14Å; L226-L242 HydrophobicContact CD1-CD2 4.04Å; L226-L242 HydrophobicContact CD1-CG 3.9Å; L226-L242 HydrophobicContact CD2-CD2 3.76Å; I238-L242 HydrophobicContact CG2-CD1 3.61Å; I238-L242 HydrophobicContact CG2-CG 4.39Å; I238-L242 VanDerWaalsContact O-CB 3.29Å; I238-L242 WeakPolarHBondContact O-CB 3.47Å; I238-L242 VanDerWaalsContact O-CG 3.25Å; I238-L242 WeakPolarHBondContact O-CG 3.42Å; I238-L242 PolarHBondContact O-N 3.33Å; R239-L242 PolarHBondContact O-N 2.91Å; V240-L242 VanDerWaalsContact C-N 3.32Å; V240-L242 PolarHBondContact O-N 3.46Å; L242-L250 HydrophobicContact CD1-CD1 3.73Å; L242-L250 HydrophobicContact CD2-CB 4.09Å; L242-L250 HydrophobicContact CD2-CD1 3.86Å; L242-L250 HydrophobicContact CG-CD1 4.49Å; L242-L278 HydrophobicContact CD1-CD2 4.31Å; L242-H281 HydrophobicContact CD1-CB 3.56Å
243K85.3Confident86.8Confident169 Ų16953.7 Ų53.774%0.73527%0.273SS*.Hα-helixtrans-68.6-38.1169-173.2176.6178.8-179.60111.6R239 V240R239-K243 WeakPolarHBondContact O-CB 3.44Å; R239-K243 PolarHBondContact O-N 2.88Å; V240-K243 WeakPolarHBondContact O-CB 3.19Å; V240-K243 PolarHBondContact O-N 3.3Å
244A74.9Confident86.5Confident62 Ų6251.6 Ų51.651%0.51226%0.262SS..Hα-helixtrans-92.5-27.3-18000000114.6M208 V240 L241M208-A244 HydrophobicContact CG-CB 4.35Å; M208-A244 HydrophobicContact SD-CB 3.51Å; M208-A244 VanDerWaalsContact SD-CB 3.51Å; V240-A244 PolarHBondContact O-N 2.94Å; L241-A244 PolarHBondContact O-N 3.35Å
245A78.1Confident85.9Confident21 Ų2153.6 Ų53.617%0.17428%0.276CS..SBendtrans-74.6151.5-17200000114.7V214 L241 V249V214-A245 HydrophobicContact CB-CB 4.12Å; V214-A245 HydrophobicContact CG1-CB 4.15Å; V214-A245 HydrophobicContact CG2-CB 4.3Å; L241-A245 WeakPolarHBondContact O-CA 3.39Å; L241-A245 WeakPolarHBondContact O-CB 3.4Å; L241-A245 PolarHBondContact O-N 3.19Å; A245-V249 HydrophobicContact CB-CB 4.08Å; A245-V249 HydrophobicContact CB-CG1 4.45Å; A245-V249 HydrophobicContact CB-CG2 4.08Å
246K74.3Confident85.4Confident137 Ų13756 Ų5660%0.59629%0.288SS*.  trans-63.6138.2168.4-63.1155.4-170.4154.40109R248 V249K246-R248 PolarHBondContact O-N 3.42Å; K246-V249 WeakPolarHBondContact O-CG2 3.26Å; K246-V249 PolarHBondContact O-N 3.33Å
247P69.7Low85.1Confident121 Ų12154.6 Ų54.679%0.78628%0.281SS*.THydrogen-bonded Turntrans-54.5-18.7-174.7-30.535.7000116.9V249P247-V249 VanDerWaalsContact C-N 3.3Å; P247-V249 PolarHBondContact O-N 3.1Å
248R75.5Confident84.8Confident232 Ų23258.5 Ų58.588%0.87530%0.299SS*.THydrogen-bonded Turntrans-71.1-18.1175.8-67.1-177.1177.4173.2-0.7114.3K246K246-R248 PolarHBondContact O-N 3.42Å
249V85.8Confident84.6Confident8 Ų863.4 Ų63.45%0.04832%0.318CS..SBendtrans-71.4-37.8-177.9179.80000111.6V214 L226 A245 K246 P247 N251 S252V214-V249 HydrophobicContact CG1-CG1 4.12Å; L226-V249 HydrophobicContact CB-CG1 4.25Å; L226-V249 HydrophobicContact CD2-CG1 4.02Å; A245-V249 HydrophobicContact CB-CB 4.08Å; A245-V249 HydrophobicContact CB-CG1 4.45Å; A245-V249 HydrophobicContact CB-CG2 4.08Å; K246-V249 WeakPolarHBondContact O-CG2 3.26Å; K246-V249 PolarHBondContact O-N 3.33Å; P247-V249 VanDerWaalsContact C-N 3.3Å; P247-V249 PolarHBondContact O-N 3.1Å; V249-N251 VanDerWaalsContact C-N 3.31Å; V249-N251 PolarHBondContact O-N 3.13Å; V249-S252 VanDerWaalsContact O-CB 3.31Å; V249-S252 WeakPolarHBondContact O-CB 3.17Å; V249-S252 PolarHBondContact O-N 3.31Å; V249-S252 PolarHBondContact O-OG 2.9Å
250L88.1Confident84.7Confident20 Ų2061.3 Ų61.311%0.10531%0.31CS..THydrogen-bonded Turntrans-53.5-41.9-175.9179.959.8000114.3L242 L278 H281 A283L242-L250 HydrophobicContact CD1-CD1 3.73Å; L242-L250 HydrophobicContact CD2-CB 4.09Å; L242-L250 HydrophobicContact CD2-CD1 3.86Å; L242-L250 HydrophobicContact CG-CD1 4.49Å; L250-L278 HydrophobicContact CD1-CD2 4.06Å; L250-H281 HydrophobicContact CD1-CB 4.45Å; L250-H281 WeakPolarHBondContact CD2-O 3.29Å; L250-A283 HydrophobicContact CD1-CB 3.93Å; L250-A283 HydrophobicContact CG-CB 4.25Å
251N86.3Confident84.9Confident58 Ų5859.8 Ų59.831%0.3130%0.301SS..THydrogen-bonded Turntrans-108.225.1179.2-63.5-74.4000112V249 N284V249-N251 VanDerWaalsContact C-N 3.31Å; V249-N251 PolarHBondContact O-N 3.13Å; N251-N284 PolarHBondContact OD1-N 3.22Å
252S89.9Confident85Confident22 Ų2259.8 Ų59.815%0.15430%0.301CS..  trans-72.8153.1170.763.30000111.3N224 H227 V249 T261N224-S252 PolarHBondContact ND2-OG 3.16Å; H227-S252 PolarHBondContact CE1-O 3.4Å; H227-S252 PolarHBondContact CE1-OG 3.03Å; H227-S252 PolarHBondContact NE2-O 3.02Å; V249-S252 VanDerWaalsContact O-CB 3.31Å; V249-S252 WeakPolarHBondContact O-CB 3.17Å; V249-S252 PolarHBondContact O-N 3.31Å; V249-S252 PolarHBondContact O-OG 2.9Å; S252-T261 WeakPolarHBondContact O-CA 3.21Å
253T90.4Very high85.4Confident46 Ų4658.9 Ų58.928%0.28230%0.296SS..EExtended strand (participates in β ladder)trans-127.4128.9-165.947.30000112.8R217 Y259 G260 T261R217-T253 PolarHBondContact NH1-O 3.28Å; R217-T253 VanDerWaalsContact NH2-C 3.3Å; R217-T253 PolarHBondContact NH2-O 2.83Å; T253-Y259 WeakPolarHBondContact CB-O 3.28Å; T253-Y259 WeakPolarHBondContact CG2-O 2.95Å; T253-G260 CarbonylContact C-O 3.27Å; T253-G260 VanDerWaalsContact CA-O 3.28Å; T253-G260 WeakPolarHBondContact CA-O 3.37Å; T253-T261 HydrophobicContact CG2-CG2 3.63Å
254C87.6Confident85.9Confident0 Ų050.8 Ų50.80%026%0.261CS..EExtended strand (participates in β ladder)trans-103.2144.7-176.774.50000113.3N222 M223 H227 F257 Y259 G260N222-C254 WeakPolarHBondContact O-CB 3.21Å; M223-C254 HydrophobicContact CB-CB 4.37Å; M223-C254 HydrophobicContact CG-CB 3.49Å; M223-C254 VanDerWaalsContact CG-CB 3.49Å; M223-C254 VanDerWaalsContact CG-SG 3.52Å; H227-C254 PolarHBondContact NE2-N 2.83Å; C254-F257 PolarHBondContact O-N 3.4Å; C254-Y259 WeakPolarHBondContact O-CA 3.32Å; C254-Y259 PolarHBondContact O-N 3.13Å; C254-G260 PolarHBondContact N-O 3.37Å
255S83.2Confident86.9Confident43 Ų4348 Ų4830%0.30124%0.237SC..THydrogen-bonded Turntrans-72-30.9-175.745.80000113.8N222 F257 H258N222-S255 WeakPolarHBondContact CB-OG 3.46Å; S255-F257 PolarHBondContact O-N 3.24Å; S255-H258 PolarHBondContact O-N 2.91Å
256D81Confident87.7Confident67 Ų6747 Ų4736%0.35823%0.229SC..THydrogen-bonded Turntrans-64.2-30.5178.9-153.849.9000111.8T221 W602T221-D256 PolarHBondContact O-N 3.25Å; D256-W602 PolarHBondContact OD2-NE1 3.22Å
257F84.4Confident88.8Confident43 Ų4340.4 Ų40.419%0.18920%0.201CC..THydrogen-bonded Turntrans-99.237.7174-148.2-94.6000113.7C254 S255 Y259 G260 H264 I265 S268 V298C254-F257 PolarHBondContact O-N 3.4Å; S255-F257 PolarHBondContact O-N 3.24Å; F257-Y259 VanDerWaalsContact C-N 3.3Å; F257-Y259 PolarHBondContact O-N 2.96Å; F257-G260 WeakPolarHBondContact O-CA 3.42Å; F257-G260 PolarHBondContact O-N 3.36Å; F257-H264 HydrophobicContact CD1-CB 3.84Å; F257-H264 HydrophobicContact CE1-CB 3.87Å; F257-I265 HydrophobicContact CB-CD1 4.3Å; F257-I265 HydrophobicContact CB-CG1 3.86Å; F257-I265 HydrophobicContact CD1-CG1 4.14Å; F257-I265 HydrophobicContact CD2-CG1 4.18Å; F257-I265 HydrophobicContact CG-CG1 3.75Å; F257-S268 WeakPolarHBondContact CZ-OG 3.4Å; F257-V298 HydrophobicContact CE1-CB 4.47Å; F257-V298 HydrophobicContact CE1-CG1 4.47Å; F257-V298 HydrophobicContact CE1-CG2 4.31Å
258H88.3Confident90Very high81 Ų8136.3 Ų36.338%0.37518%0.175SC..THydrogen-bonded Turntrans54.937.9179.5-52.2-61.6000114.4S255 G260 N289 D290 K291S255-H258 PolarHBondContact O-N 2.91Å; H258-G260 PolarHBondContact O-N 3.39Å; H258-N289 WeakPolarHBondContact O-CB 3.34Å; H258-D290 WeakPolarHBondContact O-CB 3.19Å; H258-D290 PolarHBondContact O-N 3.11Å; H258-K291 HydrophobicContact CB-CG 4.45Å; H258-K291 VanDerWaalsContact CD2-CE 3.49Å; H258-K291 WeakPolarHBondContact CD2-CE 3.45Å; H258-K291 PolarHBondContact CD2-NZ 3.22Å; H258-K291 VanDerWaalsContact CD2-NZ 3.32Å; H258-K291 VanDerWaalsContact NE2-CE 3.28Å; H258-K291 WeakPolarHBondContact NE2-CE 3.12Å; H258-K291 PolarHBondContact NE2-NZ 3.38Å
259Y89.9Confident90.8Very high104 Ų10427.3 Ų27.341%0.40814%0.144SC..THydrogen-bonded Turntrans58.129-171.9-57-91.4000113.5T253 C254 F257 D290T253-Y259 WeakPolarHBondContact CB-O 3.28Å; T253-Y259 WeakPolarHBondContact CG2-O 2.95Å; C254-Y259 WeakPolarHBondContact O-CA 3.32Å; C254-Y259 PolarHBondContact O-N 3.13Å; F257-Y259 VanDerWaalsContact C-N 3.3Å; F257-Y259 PolarHBondContact O-N 2.96Å; Y259-D290 HydrophobicContact CD2-CB 4.23Å; Y259-D290 VanDerWaalsContact CD2-CG 3.43Å; Y259-D290 WeakPolarHBondContact CD2-OD2 3.47Å
260G92.1Very high91.2Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-71.6155.7162.100000111.9T253 C254 F257 H258T253-G260 CarbonylContact C-O 3.27Å; T253-G260 VanDerWaalsContact CA-O 3.28Å; T253-G260 WeakPolarHBondContact CA-O 3.37Å; C254-G260 PolarHBondContact N-O 3.37Å; F257-G260 WeakPolarHBondContact O-CA 3.42Å; F257-G260 PolarHBondContact O-N 3.36Å; H258-G260 PolarHBondContact O-N 3.39Å
261T95.3Very high91.6Very high0 Ų027.2 Ų27.20%014%0.144CC..EExtended strand (participates in β ladder)trans-82.2171.7174.159.80000112S252 T253 L263 H264 I265 V287S252-T261 WeakPolarHBondContact O-CA 3.21Å; T253-T261 HydrophobicContact CG2-CG2 3.63Å; T261-L263 PolarHBondContact O-N 2.77Å; T261-L263 VanDerWaalsContact O-N 3.1Å; T261-L263 PolarHBondContact OG1-N 2.88Å; T261-H264 PolarHBondContact N-ND1 3.29Å; T261-H264 VanDerWaalsContact N-ND1 3.14Å; T261-H264 WeakPolarHBondContact O-CA 3.49Å; T261-H264 WeakPolarHBondContact O-CB 3.35Å; T261-H264 PolarHBondContact O-N 3.43Å; T261-H264 PolarHBondContact OG1-ND1 3.11Å; T261-I265 PolarHBondContact O-N 2.94Å; T261-V287 HydrophobicContact CG2-CB 4.41Å; T261-V287 HydrophobicContact CG2-CG1 3.87Å
262A96Very high91.7Very high1 Ų126.2 Ų26.21%0.00814%0.138CC..Hα-helixtrans-48.2-35.9168.600000113.2L226 A230 I265 A266 L278L226-A262 HydrophobicContact CD2-CB 4.39Å; L226-A262 HydrophobicContact CG-CB 4.17Å; A230-A262 HydrophobicContact CB-CB 3.83Å; A262-I265 PolarHBondContact O-N 3.08Å; A262-A266 PolarHBondContact O-N 3.41Å; A262-L278 HydrophobicContact CB-CD1 4.09Å; A262-L278 HydrophobicContact CB-CD2 4.3Å
263L96.5Very high91.8Very high1 Ų127.8 Ų27.81%0.00515%0.149CC..Hα-helixtrans-68.1-31.5176.5-172.164000113.1T261 A267 V275 L278 L279 A283 P285 P295 L323T261-L263 PolarHBondContact O-N 2.77Å; T261-L263 VanDerWaalsContact O-N 3.1Å; T261-L263 PolarHBondContact OG1-N 2.88Å; L263-A267 WeakPolarHBondContact O-CB 3.28Å; L263-A267 PolarHBondContact O-N 3.23Å; L263-A267 VanDerWaalsContact O-N 3.13Å; L263-V275 HydrophobicContact CD1-CB 4.43Å; L263-V275 HydrophobicContact CD1-CG1 4.15Å; L263-V275 HydrophobicContact CD1-CG2 4.31Å; L263-L278 HydrophobicContact CB-CD1 4.31Å; L263-L278 HydrophobicContact CD1-CB 3.99Å; L263-L278 HydrophobicContact CD1-CD1 4.28Å; L263-L279 HydrophobicContact CD1-CD2 4.32Å; L263-L279 HydrophobicContact CD1-CG 4.22Å; L263-L279 HydrophobicContact CD2-CD2 3.92Å; L263-A283 HydrophobicContact CB-CB 4.27Å; L263-A283 HydrophobicContact CD2-CB 3.94Å; L263-P285 HydrophobicContact CD2-CB 4.36Å; L263-P295 HydrophobicContact CB-CG 4.3Å; L263-P295 HydrophobicContact CD2-CB 4.37Å; L263-P295 HydrophobicContact CD2-CG 3.93Å; L263-P295 HydrophobicContact CG-CB 4.06Å; L263-P295 HydrophobicContact CG-CG 3.89Å; L263-L323 HydrophobicContact CD1-CD2 4.04Å; L263-L323 HydrophobicContact CD2-CD2 4.22Å; L263-L323 HydrophobicContact CG-CD2 4.21Å
264H96.2Very high92Very high0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-70-40173-68.774.2000111.6F257 T261 A267 S268 V287 Q293 V298F257-H264 HydrophobicContact CD1-CB 3.84Å; F257-H264 HydrophobicContact CE1-CB 3.87Å; T261-H264 PolarHBondContact N-ND1 3.29Å; T261-H264 VanDerWaalsContact N-ND1 3.14Å; T261-H264 WeakPolarHBondContact O-CA 3.49Å; T261-H264 WeakPolarHBondContact O-CB 3.35Å; T261-H264 PolarHBondContact O-N 3.43Å; T261-H264 PolarHBondContact OG1-ND1 3.11Å; H264-A267 PolarHBondContact O-N 3.28Å; H264-S268 WeakPolarHBondContact O-CB 3.3Å; H264-S268 PolarHBondContact O-N 2.92Å; H264-V287 PolarHBondContact CE1-O 2.92Å; H264-V287 PolarHBondContact NE2-O 3.26Å; H264-Q293 PolarHBondContact NE2-O 2.93Å; H264-Q293 VanDerWaalsContact NE2-O 3.12Å; H264-V298 HydrophobicContact CB-CG2 4.23Å; H264-V298 WeakPolarHBondContact O-CG2 3.32Å
265I95.5Very high92.4Very high2 Ų225.6 Ų25.61%0.0114%0.135CC..Hα-helixtrans-62.7-53.8177.9-63.8178.8000109.8M223 H227 Y231 F257 T261 A262 A267 S268 N269M223-I265 HydrophobicContact CE-CD1 4.04Å; M223-I265 HydrophobicContact CG-CD1 4.49Å; M223-I265 HydrophobicContact SD-CD1 4.19Å; H227-I265 HydrophobicContact CB-CD1 3.92Å; Y231-I265 HydrophobicContact CD2-CG2 3.61Å; Y231-I265 HydrophobicContact CG-CG2 4.17Å; F257-I265 HydrophobicContact CB-CD1 4.3Å; F257-I265 HydrophobicContact CB-CG1 3.86Å; F257-I265 HydrophobicContact CD1-CG1 4.14Å; F257-I265 HydrophobicContact CD2-CG1 4.18Å; F257-I265 HydrophobicContact CG-CG1 3.75Å; T261-I265 PolarHBondContact O-N 2.94Å; A262-I265 PolarHBondContact O-N 3.08Å; I265-A267 PolarHBondContact O-N 3.46Å; I265-S268 PolarHBondContact O-N 2.89Å; I265-S268 VanDerWaalsContact O-N 3.1Å; I265-N269 WeakPolarHBondContact O-CB 3.39Å; I265-N269 PolarHBondContact O-N 3Å
266A96.6Very high92.7Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-58-40.2179.900000111.6A230 A262 N269 L270 C271 A274 V275 L278A230-A266 HydrophobicContact CB-CB 4.37Å; A262-A266 PolarHBondContact O-N 3.41Å; A266-N269 PolarHBondContact O-N 2.81Å; A266-L270 PolarHBondContact O-N 3.1Å; A266-C271 HydrophobicContact CB-CB 3.93Å; A266-C271 PolarHBondContact O-N 2.98Å; A266-A274 HydrophobicContact CB-CB 3.93Å; A266-V275 HydrophobicContact CB-CG2 3.63Å; A266-L278 HydrophobicContact CB-CD1 4.27Å
267A96.4Very high93.2Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-64.5-39.7176.200000113.8L263 H264 I265 V275 P295 V298 V299 L319 L323L263-A267 WeakPolarHBondContact O-CB 3.28Å; L263-A267 PolarHBondContact O-N 3.23Å; L263-A267 VanDerWaalsContact O-N 3.13Å; H264-A267 PolarHBondContact O-N 3.28Å; I265-A267 PolarHBondContact O-N 3.46Å; A267-V275 HydrophobicContact CB-CG2 4.44Å; A267-P295 HydrophobicContact CB-CB 4.17Å; A267-V298 HydrophobicContact CB-CG2 4.19Å; A267-V299 HydrophobicContact CB-CG2 4.12Å; A267-L319 HydrophobicContact CB-CD2 3.97Å; A267-L323 HydrophobicContact CB-CD1 3.6Å
268S95Very high93.6Very high34 Ų3422.9 Ų22.924%0.23812%0.115CC..Hα-helixtrans-76.2-30.1178.7-173.80000113.7F257 H264 I265 L270F257-S268 WeakPolarHBondContact CZ-OG 3.4Å; H264-S268 WeakPolarHBondContact O-CB 3.3Å; H264-S268 PolarHBondContact O-N 2.92Å; I265-S268 PolarHBondContact O-N 2.89Å; I265-S268 VanDerWaalsContact O-N 3.1Å; S268-L270 VanDerWaalsContact C-N 3.34Å
269N93.1Very high93.6Very high43 Ų4320.6 Ų20.623%0.2311%0.105CC..Hα-helixtrans-86.3-4.3178.9-75.810.7000113.1Y231 I265 A266 C271Y231-N269 WeakPolarHBondContact CD2-ND2 3.36Å; Y231-N269 VanDerWaalsContact CE2-ND2 3.28Å; Y231-N269 WeakPolarHBondContact CE2-ND2 3.4Å; Y231-N269 PolarHBondContact O-ND2 3.05Å; I265-N269 WeakPolarHBondContact O-CB 3.39Å; I265-N269 PolarHBondContact O-N 3Å; A266-N269 PolarHBondContact O-N 2.81Å; N269-C271 VanDerWaalsContact C-N 3.28Å; N269-C271 WeakPolarHBondContact CB-SG 3.41Å
270L94.5Very high93.4Very high24 Ų2418.7 Ų18.713%0.12610%0.1CC..THydrogen-bonded Turntrans66.124.2-173-50.4177.3000114.6A266 S268 L272 V299 P300 M305 A312 V315 A316A266-L270 PolarHBondContact O-N 3.1Å; S268-L270 VanDerWaalsContact C-N 3.34Å; L270-L272 VanDerWaalsContact C-N 3.29Å; L270-L272 PolarHBondContact O-N 3.49Å; L270-V299 HydrophobicContact CD2-CG1 4.04Å; L270-P300 HydrophobicContact CD2-CG 4.22Å; L270-M305 HydrophobicContact CD1-CE 3.87Å; L270-A312 HydrophobicContact CD1-CB 3.91Å; L270-V315 HydrophobicContact CB-CG1 4.11Å; L270-A316 HydrophobicContact CD1-CB 4.45Å; L270-A316 HydrophobicContact CD2-CB 3.6Å
271C94.6Very high93Very high3 Ų319.7 Ų19.72%0.0211%0.105CC..  trans-73.776.2178.5-58.60000111D233 A266 N269 S273 A274 V275D233-C271 HydrophobicContact CB-CB 3.63Å; D233-C271 VanDerWaalsContact CG-CB 3.44Å; D233-C271 VanDerWaalsContact OD1-C 3.28Å; D233-C271 WeakPolarHBondContact OD1-CA 3.15Å; D233-C271 WeakPolarHBondContact OD1-CB 3.41Å; D233-C271 WeakPolarHBondContact OD2-CA 3.36Å; A266-C271 HydrophobicContact CB-CB 3.93Å; A266-C271 PolarHBondContact O-N 2.98Å; N269-C271 VanDerWaalsContact C-N 3.28Å; N269-C271 WeakPolarHBondContact CB-SG 3.41Å; C271-S273 VanDerWaalsContact C-N 3.29Å; C271-S273 PolarHBondContact O-N 3.18Å; C271-A274 HydrophobicContact CB-CB 4.01Å; C271-A274 PolarHBondContact O-N 2.8Å; C271-V275 WeakPolarHBondContact O-CG2 3.36Å; C271-V275 PolarHBondContact O-N 2.83Å
272L90Very high92.5Very high37 Ų3720.8 Ų20.819%0.19412%0.116CC..Hα-helixtrans-62.9-34-172.3-179.761.4000112.7L270 K276 V315 L319 L322L270-L272 VanDerWaalsContact C-N 3.29Å; L270-L272 PolarHBondContact O-N 3.49Å; L272-K276 HydrophobicContact CG-CD 4.41Å; L272-K276 WeakPolarHBondContact O-CG 3.32Å; L272-K276 PolarHBondContact O-N 3.44Å; L272-V315 HydrophobicContact CB-CG1 4.09Å; L272-V315 HydrophobicContact CD2-CG1 4.45Å; L272-L319 HydrophobicContact CB-CD1 4.33Å; L272-L319 HydrophobicContact CD1-CB 4.07Å; L272-L319 HydrophobicContact CD1-CD1 4.33Å; L272-L319 HydrophobicContact CD1-CG 4.24Å; L272-L322 HydrophobicContact CD1-CD2 4.11Å
273S91.1Very high92.2Very high54 Ų5421 Ų2138%0.37812%0.117SC..Hα-helixtrans-73.1-42-178.5-57.30000111.2D233 C271 K276 C277D233-S273 WeakPolarHBondContact OD1-CB 3.21Å; D233-S273 PolarHBondContact OD1-N 3.49Å; C271-S273 VanDerWaalsContact C-N 3.29Å; C271-S273 PolarHBondContact O-N 3.18Å; S273-K276 PolarHBondContact O-N 2.82Å; S273-C277 VanDerWaalsContact O-CB 3.32Å; S273-C277 WeakPolarHBondContact O-CB 3.48Å; S273-C277 PolarHBondContact O-N 3.39Å
274A95.3Very high91.7Very high0 Ų023.2 Ų23.20%013%0.129CC..Hα-helixtrans-64.8-40.5171.300000112.2D233 I238 A266 C271 C277 L278D233-A274 VanDerWaalsContact OD1-CB 3.29Å; D233-A274 WeakPolarHBondContact OD1-CB 3.22Å; D233-A274 PolarHBondContact OD1-N 3.27Å; I238-A274 HydrophobicContact CD1-CB 3.49Å; I238-A274 VanDerWaalsContact CD1-CB 3.49Å; A266-A274 HydrophobicContact CB-CB 3.93Å; C271-A274 HydrophobicContact CB-CB 4.01Å; C271-A274 PolarHBondContact O-N 2.8Å; A274-C277 PolarHBondContact O-N 3.24Å; A274-L278 VanDerWaalsContact O-CB 3.25Å; A274-L278 WeakPolarHBondContact O-CB 3.43Å; A274-L278 WeakPolarHBondContact O-CD1 3.26Å; A274-L278 WeakPolarHBondContact O-CG 3.46Å; A274-L278 PolarHBondContact O-N 2.86Å
275V95.8Very high91.5Very high0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-59.5-49.7174167.70000110.9L263 A266 A267 C271 L278 L279 L319 L322 L323L263-V275 HydrophobicContact CD1-CB 4.43Å; L263-V275 HydrophobicContact CD1-CG1 4.15Å; L263-V275 HydrophobicContact CD1-CG2 4.31Å; A266-V275 HydrophobicContact CB-CG2 3.63Å; A267-V275 HydrophobicContact CB-CG2 4.44Å; C271-V275 WeakPolarHBondContact O-CG2 3.36Å; C271-V275 PolarHBondContact O-N 2.83Å; V275-L278 PolarHBondContact O-N 3.03Å; V275-L279 HydrophobicContact CG1-CD1 3.92Å; V275-L279 VanDerWaalsContact O-CG 3.27Å; V275-L279 WeakPolarHBondContact O-CG 3.18Å; V275-L279 PolarHBondContact O-N 3.5Å; V275-L319 HydrophobicContact CB-CD1 4.49Å; V275-L319 HydrophobicContact CB-CG 4.47Å; V275-L319 HydrophobicContact CG1-CG 4.39Å; V275-L319 HydrophobicContact CG2-CD1 3.96Å; V275-L319 HydrophobicContact CG2-CD2 4.24Å; V275-L319 HydrophobicContact CG2-CG 4.14Å; V275-L322 HydrophobicContact CG1-CD2 3.99Å; V275-L323 HydrophobicContact CG1-CD2 3.89Å; V275-L323 HydrophobicContact CG1-CG 4.11Å
276K89.3Confident91.2Very high96 Ų9627.4 Ų27.442%0.41716%0.155SC..Hα-helixtrans-57.1-52.7175.9-72.5168.2-179.8173.50111.3L272 S273 L278 L279 E280 L322L272-K276 HydrophobicContact CG-CD 4.41Å; L272-K276 WeakPolarHBondContact O-CG 3.32Å; L272-K276 PolarHBondContact O-N 3.44Å; S273-K276 PolarHBondContact O-N 2.82Å; K276-L278 PolarHBondContact O-N 2.95Å; K276-L279 PolarHBondContact O-N 3.21Å; K276-E280 WeakPolarHBondContact O-CG 3.44Å; K276-E280 PolarHBondContact O-N 3.31Å; K276-L322 HydrophobicContact CG-CD2 3.76Å
277C91.9Very high90.8Very high1 Ų129 Ų291%0.00717%0.165CC..Hα-helixtrans-60.8-41.5-178.4-169.90000112.8P235 I238 R239 S273 A274 E280 H281P235-C277 HydrophobicContact CB-CB 3.84Å; I238-C277 HydrophobicContact CG2-CB 4.29Å; R239-C277 VanDerWaalsContact CG-SG 3.56Å; S273-C277 VanDerWaalsContact O-CB 3.32Å; S273-C277 WeakPolarHBondContact O-CB 3.48Å; S273-C277 PolarHBondContact O-N 3.39Å; A274-C277 PolarHBondContact O-N 3.24Å; C277-E280 WeakPolarHBondContact O-CB 3.25Å; C277-E280 PolarHBondContact O-N 3.18Å; C277-H281 PolarHBondContact O-N 3.43Å; C277-H281 VanDerWaalsContact O-N 3.13Å; C277-H281 PolarHBondContact O-ND1 3.01Å
278L92.7Very high90.5Very high0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-65.2-39.7176.6-73.7168.7000112.1L226 A230 I238 L242 L250 A262 L263 A266 A274 V275 K276 H281 G282 A283L226-L278 HydrophobicContact CD1-CD2 4.16Å; A230-L278 HydrophobicContact CB-CD1 3.98Å; I238-L278 HydrophobicContact CD1-CG 4.3Å; I238-L278 HydrophobicContact CG2-CD2 3.86Å; I238-L278 HydrophobicContact CG2-CG 4.22Å; L242-L278 HydrophobicContact CD1-CD2 4.31Å; L250-L278 HydrophobicContact CD1-CD2 4.06Å; A262-L278 HydrophobicContact CB-CD1 4.09Å; A262-L278 HydrophobicContact CB-CD2 4.3Å; L263-L278 HydrophobicContact CB-CD1 4.31Å; L263-L278 HydrophobicContact CD1-CB 3.99Å; L263-L278 HydrophobicContact CD1-CD1 4.28Å; A266-L278 HydrophobicContact CB-CD1 4.27Å; A274-L278 VanDerWaalsContact O-CB 3.25Å; A274-L278 WeakPolarHBondContact O-CB 3.43Å; A274-L278 WeakPolarHBondContact O-CD1 3.26Å; A274-L278 WeakPolarHBondContact O-CG 3.46Å; A274-L278 PolarHBondContact O-N 2.86Å; V275-L278 PolarHBondContact O-N 3.03Å; K276-L278 PolarHBondContact O-N 2.95Å; L278-H281 PolarHBondContact O-N 2.87Å; L278-G282 PolarHBondContact O-N 3.34Å; L278-A283 HydrophobicContact CB-CB 3.91Å; L278-A283 WeakPolarHBondContact O-CB 3.33Å; L278-A283 PolarHBondContact O-N 2.95Å
279L88.9Confident90.4Very high32 Ų3234.4 Ų34.417%0.16818%0.18CC..Hα-helixtrans-67.3-42.6175.5-69.2172.3000112L263 V275 K276 H281 G282 P285 L322 L323 A326L263-L279 HydrophobicContact CD1-CD2 4.32Å; L263-L279 HydrophobicContact CD1-CG 4.22Å; L263-L279 HydrophobicContact CD2-CD2 3.92Å; V275-L279 HydrophobicContact CG1-CD1 3.92Å; V275-L279 VanDerWaalsContact O-CG 3.27Å; V275-L279 WeakPolarHBondContact O-CG 3.18Å; V275-L279 PolarHBondContact O-N 3.5Å; K276-L279 PolarHBondContact O-N 3.21Å; L279-H281 PolarHBondContact O-N 3.37Å; L279-G282 PolarHBondContact O-N 3.2Å; L279-P285 HydrophobicContact CD2-CB 4.34Å; L279-P285 HydrophobicContact CD2-CG 4.47Å; L279-L322 HydrophobicContact CD1-CD2 4.33Å; L279-L322 HydrophobicContact CD1-CG 4.05Å; L279-L323 HydrophobicContact CD1-CD2 4.18Å; L279-L323 HydrophobicContact CD2-CD2 4.42Å; L279-A326 HydrophobicContact CD1-CB 4.09Å; L279-A326 HydrophobicContact CD2-CB 3.9Å
280E85.1Confident90.3Very high65 Ų6538.2 Ų38.230%0.30420%0.201SC..Hα-helixtrans-54.6-35.9172.3-72.1163-152.800112R239 K276 C277 G282R239-E280 IonicContact CZ-OE2 3.68Å; R239-E280 IonicContact NH1-OE2 2.65Å; R239-E280 PolarHBondContact NH1-OE2 2.71Å; R239-E280 IonicContact NH2-OE1 3.55Å; R239-E280 IonicContact NH2-OE2 2.76Å; R239-E280 PolarHBondContact NH2-OE2 2.92Å; K276-E280 WeakPolarHBondContact O-CG 3.44Å; K276-E280 PolarHBondContact O-N 3.31Å; C277-E280 WeakPolarHBondContact O-CB 3.25Å; C277-E280 PolarHBondContact O-N 3.18Å; E280-G282 VanDerWaalsContact C-N 3.32Å
281H84.3Confident90.3Very high21 Ų2143.1 Ų43.110%0.09722%0.221CC..THydrogen-bonded Turntrans-85.60.4177.8-69.966.8000114L242 L250 C277 L278 L279 Y341L242-H281 HydrophobicContact CD1-CB 3.56Å; L250-H281 HydrophobicContact CD1-CB 4.45Å; L250-H281 WeakPolarHBondContact CD2-O 3.29Å; C277-H281 PolarHBondContact O-N 3.43Å; C277-H281 VanDerWaalsContact O-N 3.13Å; C277-H281 PolarHBondContact O-ND1 3.01Å; L278-H281 PolarHBondContact O-N 2.87Å; L279-H281 PolarHBondContact O-N 3.37Å; H281-Y341 AromaticContact CD2-CZ 3.79Å; H281-Y341 PolarHBondContact CD2-OH 3.01Å; H281-Y341 VanDerWaalsContact CD2-OH 3.3Å
282G84.1Confident90.2Very high22 Ų2244.6 Ų44.623%0.22724%0.237CC..THydrogen-bonded Turntrans85.827.4176.600000115.5L278 L279 E280 N284L278-G282 PolarHBondContact O-N 3.34Å; L279-G282 PolarHBondContact O-N 3.2Å; E280-G282 VanDerWaalsContact C-N 3.32Å; G282-N284 PolarHBondContact O-N 3.01Å
283A90.4Very high90.5Very high5 Ų545.4 Ų45.44%0.04124%0.24CC..  trans-59.5134.2167.100000109.5L250 L263 L278 P285L250-A283 HydrophobicContact CD1-CB 3.93Å; L250-A283 HydrophobicContact CG-CB 4.25Å; L263-A283 HydrophobicContact CB-CB 4.27Å; L263-A283 HydrophobicContact CD2-CB 3.94Å; L278-A283 HydrophobicContact CB-CB 3.91Å; L278-A283 WeakPolarHBondContact O-CB 3.33Å; L278-A283 PolarHBondContact O-N 2.95Å; A283-P285 VanDerWaalsContact O-CD 3.26Å; A283-P285 WeakPolarHBondContact O-CD 3.43Å
284N85.1Confident90.7Very high49 Ų4943.6 Ų43.626%0.26223%0.227SC..  trans-86.1114.3-172.7174.311000111.2N251 G282 T286 V287 P328N251-N284 PolarHBondContact OD1-N 3.22Å; G282-N284 PolarHBondContact O-N 3.01Å; N284-T286 PolarHBondContact ND2-OG1 2.85Å; N284-T286 PolarHBondContact O-N 2.83Å; N284-T286 PolarHBondContact OD1-N 3.23Å; N284-T286 PolarHBondContact OD1-OG1 2.8Å; N284-V287 HydrophobicContact CB-CG2 3.83Å; N284-V287 PolarHBondContact O-N 3.06Å; N284-P328 WeakPolarHBondContact OD1-CB 3.15Å; N284-P328 WeakPolarHBondContact OD1-CG 3.17Å
285P91.3Very high90.7Very high9 Ų943.6 Ų43.66%0.05823%0.227CC..THydrogen-bonded Turntrans-73-3.8-179.431.8-36.2000113.8L263 L279 A283 P295 A326 P328L263-P285 HydrophobicContact CD2-CB 4.36Å; L279-P285 HydrophobicContact CD2-CB 4.34Å; L279-P285 HydrophobicContact CD2-CG 4.47Å; A283-P285 VanDerWaalsContact O-CD 3.26Å; A283-P285 WeakPolarHBondContact O-CD 3.43Å; P285-P295 WeakPolarHBondContact O-CD 3.25Å; P285-A326 HydrophobicContact CB-CB 4.08Å; P285-A326 HydrophobicContact CG-CB 3.84Å; P285-A326 WeakPolarHBondContact CG-O 3.28Å; P285-P328 HydrophobicContact CG-CG 4.21Å
286T89.6Confident90.8Very high80 Ų8044 Ų4449%0.49123%0.23SC..THydrogen-bonded Turntrans-102.51.5176.561.20000114.5N284 R288 P328N284-T286 PolarHBondContact ND2-OG1 2.85Å; N284-T286 PolarHBondContact O-N 2.83Å; N284-T286 PolarHBondContact OD1-N 3.23Å; N284-T286 PolarHBondContact OD1-OG1 2.8Å; T286-R288 PolarHBondContact O-N 2.86Å; T286-P328 HydrophobicContact CG2-CG 3.45Å; T286-P328 VanDerWaalsContact CG2-CG 3.45Å; T286-P328 WeakPolarHBondContact OG1-CG 3.42Å
287V88.3Confident91.1Very high33 Ų3343.9 Ų43.920%0.223%0.231CC..  trans-61.7133.2169.9177.80000108.6T261 H264 N284T261-V287 HydrophobicContact CG2-CB 4.41Å; T261-V287 HydrophobicContact CG2-CG1 3.87Å; H264-V287 PolarHBondContact CE1-O 2.92Å; H264-V287 PolarHBondContact NE2-O 3.26Å; N284-V287 HydrophobicContact CB-CG2 3.83Å; N284-V287 PolarHBondContact O-N 3.06Å
288R91.1Very high91.3Very high140 Ų14044.7 Ų44.753%0.52824%0.236SC..  trans-104.6138.9174.1-71.7178.1-179.5-76.6-6.8110.5T286 G292 Q293 V294 E297T286-R288 PolarHBondContact O-N 2.86Å; R288-G292 WeakPolarHBondContact CD-O 3.24Å; R288-G292 WeakPolarHBondContact CG-O 3.45Å; R288-G292 PolarHBondContact NH1-O 2.68Å; R288-Q293 CarbonylContact C-O 3.58Å; R288-Q293 VanDerWaalsContact CA-O 3.26Å; R288-Q293 WeakPolarHBondContact CA-O 3.42Å; R288-V294 HydrophobicContact CG-CG1 3.5Å; R288-V294 VanDerWaalsContact CG-CG1 3.5Å; R288-E297 IonicContact CZ-OE2 2.91Å; R288-E297 IonicContact NH1-OE1 2.75Å; R288-E297 PolarHBondContact NH1-OE1 3.05Å; R288-E297 IonicContact NH1-OE2 2.55Å; R288-E297 PolarHBondContact NH1-OE2 3.38Å; R288-E297 IonicContact NH2-OE1 3.8Å
289N91.6Very high91.4Very high8 Ų845.1 Ų45.14%0.04324%0.238CC..  trans-78.2-178.717275.34.9000111.7H258 K291 G292 Q293H258-N289 WeakPolarHBondContact O-CB 3.34Å; N289-K291 PolarHBondContact O-N 2.68Å; N289-K291 WeakPolarHBondContact OD1-CA 3.29Å; N289-K291 WeakPolarHBondContact OD1-CB 3.46Å; N289-K291 PolarHBondContact OD1-N 2.99Å; N289-G292 WeakPolarHBondContact O-CA 3.44Å; N289-G292 PolarHBondContact O-N 3.43Å; N289-G292 PolarHBondContact OD1-N 2.94Å; N289-Q293 PolarHBondContact N-O 3.26Å; N289-Q293 PolarHBondContact OD1-N 2.98Å; N289-Q293 PolarHBondContact OD1-O 3.24Å
290D92.4Very high91.6Very high123 Ų12345.8 Ų45.866%0.65825%0.245SC*.THydrogen-bonded Turntrans-65.6-19.9-179.4-88.822.7000114H258 Y259 G292H258-D290 WeakPolarHBondContact O-CB 3.19Å; H258-D290 PolarHBondContact O-N 3.11Å; Y259-D290 HydrophobicContact CD2-CB 4.23Å; Y259-D290 VanDerWaalsContact CD2-CG 3.43Å; Y259-D290 WeakPolarHBondContact CD2-OD2 3.47Å; D290-G292 PolarHBondContact O-N 2.97Å
291K93.7Very high92Very high127 Ų12745.5 Ų45.555%0.55225%0.245SC*.THydrogen-bonded Turntrans-79.3-0.9169.6-69.4176.2167171.60112.4H258 N289 Q293H258-K291 HydrophobicContact CB-CG 4.45Å; H258-K291 VanDerWaalsContact CD2-CE 3.49Å; H258-K291 WeakPolarHBondContact CD2-CE 3.45Å; H258-K291 PolarHBondContact CD2-NZ 3.22Å; H258-K291 VanDerWaalsContact CD2-NZ 3.32Å; H258-K291 VanDerWaalsContact NE2-CE 3.28Å; H258-K291 WeakPolarHBondContact NE2-CE 3.12Å; H258-K291 PolarHBondContact NE2-NZ 3.38Å; N289-K291 PolarHBondContact O-N 2.68Å; N289-K291 WeakPolarHBondContact OD1-CA 3.29Å; N289-K291 WeakPolarHBondContact OD1-CB 3.46Å; N289-K291 PolarHBondContact OD1-N 2.99Å; K291-Q293 VanDerWaalsContact C-N 3.27Å; K291-Q293 HydrophobicContact CB-CG 4.07Å; K291-Q293 PolarHBondContact O-N 3.23Å
292G93Very high92.3Very high35 Ų3546.2 Ų46.236%0.36125%0.252SS..SBendtrans75.29-17300000113.9R288 N289 D290R288-G292 WeakPolarHBondContact CD-O 3.24Å; R288-G292 WeakPolarHBondContact CG-O 3.45Å; R288-G292 PolarHBondContact NH1-O 2.68Å; N289-G292 WeakPolarHBondContact O-CA 3.44Å; N289-G292 PolarHBondContact O-N 3.43Å; N289-G292 PolarHBondContact OD1-N 2.94Å; D290-G292 PolarHBondContact O-N 2.97Å
293Q95.8Very high92.5Very high53 Ų5353.2 Ų53.225%0.24828%0.28CS..  trans-86.4141.4-176.5-61.4174-9000111.8H264 R288 N289 K291 E297 V298H264-Q293 PolarHBondContact NE2-O 2.93Å; H264-Q293 VanDerWaalsContact NE2-O 3.12Å; R288-Q293 CarbonylContact C-O 3.58Å; R288-Q293 VanDerWaalsContact CA-O 3.26Å; R288-Q293 WeakPolarHBondContact CA-O 3.42Å; N289-Q293 PolarHBondContact N-O 3.26Å; N289-Q293 PolarHBondContact OD1-N 2.98Å; N289-Q293 PolarHBondContact OD1-O 3.24Å; K291-Q293 VanDerWaalsContact C-N 3.27Å; K291-Q293 HydrophobicContact CB-CG 4.07Å; K291-Q293 PolarHBondContact O-N 3.23Å; Q293-E297 VanDerWaalsContact CA-OE2 3.23Å; Q293-E297 WeakPolarHBondContact CA-OE2 3.49Å; Q293-E297 HydrophobicContact CB-CB 4.05Å; Q293-E297 HydrophobicContact CG-CB 4.46Å; Q293-E297 PolarHBondContact NE2-O 3.33Å; Q293-V298 HydrophobicContact CB-CG1 3.85Å; Q293-V298 HydrophobicContact CG-CG1 4.49Å
294V95.4Very high92.5Very high17 Ų1760 Ų6010%0.10332%0.316CS..  trans-86.1168165.2-61.50000111.8R288 A296 E297 V298R288-V294 HydrophobicContact CG-CG1 3.5Å; R288-V294 VanDerWaalsContact CG-CG1 3.5Å; V294-A296 VanDerWaalsContact C-N 3.3Å; V294-A296 HydrophobicContact CG2-CB 4.22Å; V294-A296 PolarHBondContact O-N 2.9Å; V294-E297 HydrophobicContact CG2-CB 4.16Å; V294-E297 HydrophobicContact CG2-CG 3.68Å; V294-E297 PolarHBondContact N-OE2 3.44Å; V294-E297 WeakPolarHBondContact O-CA 3.45Å; V294-E297 WeakPolarHBondContact O-CB 3.46Å; V294-E297 PolarHBondContact O-N 3.43Å; V294-V298 PolarHBondContact O-N 3.13Å
295P95.7Very high92.6Very high0 Ų059.6 Ų59.60%031%0.313CS..G310 helixtrans-50.5-41.7175.8-31.738.4000114.9L263 A267 P285 E297 V298 V299 L323L263-P295 HydrophobicContact CB-CG 4.3Å; L263-P295 HydrophobicContact CD2-CB 4.37Å; L263-P295 HydrophobicContact CD2-CG 3.93Å; L263-P295 HydrophobicContact CG-CB 4.06Å; L263-P295 HydrophobicContact CG-CG 3.89Å; A267-P295 HydrophobicContact CB-CB 4.17Å; P285-P295 WeakPolarHBondContact O-CD 3.25Å; P295-E297 PolarHBondContact O-N 3.17Å; P295-V298 VanDerWaalsContact O-CG2 3.24Å; P295-V298 WeakPolarHBondContact O-CG2 3.44Å; P295-V298 PolarHBondContact O-N 2.78Å; P295-V299 WeakPolarHBondContact O-CG2 3.46Å; P295-L323 HydrophobicContact CB-CD1 3.87Å; P295-L323 HydrophobicContact CB-CD2 4.07Å
296A96.3Very high92.4Very high7 Ų761.9 Ų61.96%0.05833%0.329CS..G310 helixtrans-64.7-21.517700000114V294 L323 L324V294-A296 VanDerWaalsContact C-N 3.3Å; V294-A296 HydrophobicContact CG2-CB 4.22Å; V294-A296 PolarHBondContact O-N 2.9Å; A296-L323 HydrophobicContact CB-CB 3.84Å; A296-L324 HydrophobicContact CB-CD2 3.98Å; A296-L324 HydrophobicContact CB-CG 4.12Å
297E95.9Very high92.1Very high94 Ų9466.3 Ų66.344%0.43935%0.349SS..G310 helixtrans-94.3-3.8-179.3-66.9166.5169.700112.6R288 Q293 V294 P295R288-E297 IonicContact CZ-OE2 2.91Å; R288-E297 IonicContact NH1-OE1 2.75Å; R288-E297 PolarHBondContact NH1-OE1 3.05Å; R288-E297 IonicContact NH1-OE2 2.55Å; R288-E297 PolarHBondContact NH1-OE2 3.38Å; R288-E297 IonicContact NH2-OE1 3.8Å; Q293-E297 VanDerWaalsContact CA-OE2 3.23Å; Q293-E297 WeakPolarHBondContact CA-OE2 3.49Å; Q293-E297 HydrophobicContact CB-CB 4.05Å; Q293-E297 HydrophobicContact CG-CB 4.46Å; Q293-E297 PolarHBondContact NE2-O 3.33Å; V294-E297 HydrophobicContact CG2-CB 4.16Å; V294-E297 HydrophobicContact CG2-CG 3.68Å; V294-E297 PolarHBondContact N-OE2 3.44Å; V294-E297 WeakPolarHBondContact O-CA 3.45Å; V294-E297 WeakPolarHBondContact O-CB 3.46Å; V294-E297 PolarHBondContact O-N 3.43Å; P295-E297 PolarHBondContact O-N 3.17Å
298V95.7Very high91.9Very high18 Ų1870.9 Ų70.911%0.10937%0.373CS..THydrogen-bonded Turntrans-107.4-2.4171.6-58.30000113.7F257 H264 A267 Q293 V294 P295 P300F257-V298 HydrophobicContact CE1-CB 4.47Å; F257-V298 HydrophobicContact CE1-CG1 4.47Å; F257-V298 HydrophobicContact CE1-CG2 4.31Å; H264-V298 HydrophobicContact CB-CG2 4.23Å; H264-V298 WeakPolarHBondContact O-CG2 3.32Å; A267-V298 HydrophobicContact CB-CG2 4.19Å; Q293-V298 HydrophobicContact CB-CG1 3.85Å; Q293-V298 HydrophobicContact CG-CG1 4.49Å; V294-V298 PolarHBondContact O-N 3.13Å; P295-V298 VanDerWaalsContact O-CG2 3.24Å; P295-V298 WeakPolarHBondContact O-CG2 3.44Å; P295-V298 PolarHBondContact O-N 2.78Å; V298-P300 WeakPolarHBondContact O-CD 3.36Å
299V95.8Very high91.7Very high9 Ų968 Ų686%0.05536%0.364CS..SBendtrans-65.9125.4171.6-1680000109.2A267 L270 P295 A316 L319 K320 L323A267-V299 HydrophobicContact CB-CG2 4.12Å; L270-V299 HydrophobicContact CD2-CG1 4.04Å; P295-V299 WeakPolarHBondContact O-CG2 3.46Å; V299-A316 HydrophobicContact CG1-CB 4.08Å; V299-A316 WeakPolarHBondContact CG1-O 3.37Å; V299-L319 HydrophobicContact CB-CD2 4.47Å; V299-L319 HydrophobicContact CG1-CD2 4.06Å; V299-L319 HydrophobicContact CG2-CD2 3.52Å; V299-K320 HydrophobicContact CB-CB 4.29Å; V299-K320 HydrophobicContact CG1-CB 4.21Å; V299-K320 HydrophobicContact CG2-CB 4.26Å; V299-L323 HydrophobicContact CG2-CD1 3.99Å
300P93.9Very high91.5Very high47 Ų4770.7 Ų70.731%0.30539%0.387SS..PPolyproline II helixtrans-51138.9173.2-28.334.8000112.2L270 V298 M305L270-P300 HydrophobicContact CD2-CG 4.22Å; V298-P300 WeakPolarHBondContact O-CD 3.36Å; P300-M305 HydrophobicContact CB-CE 3.79Å
301D92.3Very high91.1Very high58 Ų5872.6 Ų72.631%0.3139%0.392SS..PPolyproline II helixtrans-75.8130.1-179.8-155-79.7000111.2M303 D304 K320D301-M303 PolarHBondContact O-N 2.85Å; D301-M303 VanDerWaalsContact O-N 3.1Å; D301-M303 WeakPolarHBondContact OD1-CB 3.36Å; D301-M303 PolarHBondContact OD1-N 2.93Å; D301-D304 PolarHBondContact O-N 3.43Å; D301-K320 IonicContact OD2-NZ 3.49Å; D301-K320 PolarHBondContact OD2-NZ 3.01Å
302P90.4Very high90.8Very high36 Ų3668 Ų6823%0.23438%0.377CS..G310 helixtrans-54-27.5175.6-28.135.6000114.3M305 A313 A316 K317P302-M305 PolarHBondContact O-N 2.75Å; P302-A313 HydrophobicContact CB-CB 4.11Å; P302-A313 WeakPolarHBondContact CG-O 3.33Å; P302-A316 HydrophobicContact CG-CB 4.13Å; P302-K317 HydrophobicContact CG-CB 3.98Å
303M88.9Confident90.8Very high169 Ų16967.1 Ų67.183%0.83337%0.367SS*.G310 helixtrans-76.6-22.2179.5-63.7-65.6-176.100113.9D301 M305D301-M303 PolarHBondContact O-N 2.85Å; D301-M303 VanDerWaalsContact O-N 3.1Å; D301-M303 WeakPolarHBondContact OD1-CB 3.36Å; D301-M303 PolarHBondContact OD1-N 2.93Å; M303-M305 VanDerWaalsContact C-N 3.27Å
304D90Very high90.5Very high149 Ų14969.4 Ų69.480%0.79738%0.379SS*.G310 helixtrans-85.1-2.4176-69.8-32.3000112.2D301D301-D304 PolarHBondContact O-N 3.43Å
305M88.2Confident90.3Very high39 Ų3970.7 Ų70.719%0.19239%0.387CS..SBendtrans-86.7144.7179.4-59.3-156.5-169.400112.8L270 P300 P302 M303 K309 A312 A313 A316L270-M305 HydrophobicContact CD1-CE 3.87Å; P300-M305 HydrophobicContact CB-CE 3.79Å; P302-M305 PolarHBondContact O-N 2.75Å; M303-M305 VanDerWaalsContact C-N 3.27Å; M305-K309 HydrophobicContact CB-CB 4.46Å; M305-A312 HydrophobicContact SD-CB 4.02Å; M305-A313 HydrophobicContact CB-CB 4.27Å; M305-A313 HydrophobicContact CG-CB 4.42Å; M305-A313 VanDerWaalsContact SD-CA 3.56Å; M305-A313 HydrophobicContact SD-CB 3.84Å; M305-A313 PolarHBondContact SD-N 2.73Å; M305-A313 VanDerWaalsContact SD-N 3.43Å; M305-A316 HydrophobicContact CE-CB 3.59Å
306S86.5Confident90.2Very high57 Ų5770.7 Ų70.740%0.39939%0.387SS..  trans-75.4152.4173.556.30000111.6D308 K309S306-D308 WeakPolarHBondContact CB-OD1 3.49Å; S306-D308 PolarHBondContact O-N 3.47Å; S306-D308 VanDerWaalsContact O-N 3.13Å; S306-D308 PolarHBondContact OG-OD1 3.21Å; S306-K309 WeakPolarHBondContact O-CA 3.33Å; S306-K309 WeakPolarHBondContact O-CB 3.17Å; S306-K309 PolarHBondContact O-N 3.1Å
307L82.4Confident90Very high174 Ų17475.8 Ų75.891%0.91141%0.407SS*.G310 helixtrans-62.5-23-171.5-65.7173.9000114.4K309L307-K309 PolarHBondContact O-N 2.9Å
308D85.9Confident89.8Confident129 Ų12974.9 Ų74.969%0.6941%0.405SS*.G310 helixtrans-70.4-5.4171.661.1-55000113.7S306S306-D308 WeakPolarHBondContact CB-OD1 3.49Å; S306-D308 PolarHBondContact O-N 3.47Å; S306-D308 VanDerWaalsContact O-N 3.13Å; S306-D308 PolarHBondContact OG-OD1 3.21Å
309K86.8Confident89.8Confident80 Ų8074 Ų7435%0.34840%0.4SS..G310 helixtrans-11526.9-179.9-60-177.2178.7-179.50112.9M305 S306 L307 E311 A312 A313M305-K309 HydrophobicContact CB-CB 4.46Å; S306-K309 WeakPolarHBondContact O-CA 3.33Å; S306-K309 WeakPolarHBondContact O-CB 3.17Å; S306-K309 PolarHBondContact O-N 3.1Å; L307-K309 PolarHBondContact O-N 2.9Å; K309-E311 PolarHBondContact O-N 3.34Å; K309-A312 HydrophobicContact CB-CB 4.33Å; K309-A312 PolarHBondContact O-N 3.27Å; K309-A313 PolarHBondContact O-N 3.16Å
310A86.6Confident89.7Confident63 Ų6376.4 Ų76.452%0.52141%0.41SS..Hα-helixtrans-52.3-39.1-178.200000113.5A313 M314A310-A313 PolarHBondContact O-N 3.39Å; A310-M314 WeakPolarHBondContact O-CG 3.47Å; A310-M314 PolarHBondContact O-N 3.05Å
311E84.8Confident89.5Confident163 Ų16379 Ų7976%0.76242%0.418SS*.Hα-helixtrans-62.1-49.5174.6-68.6161.1-167.700112.1K309 A313 M314 V315K309-E311 PolarHBondContact O-N 3.34Å; E311-A313 VanDerWaalsContact C-N 3.28Å; E311-A313 PolarHBondContact O-N 3.01Å; E311-M314 WeakPolarHBondContact O-CB 3.38Å; E311-M314 PolarHBondContact O-N 3.45Å; E311-M314 VanDerWaalsContact O-N 3.17Å; E311-V315 WeakPolarHBondContact O-CG2 3.42Å; E311-V315 PolarHBondContact O-N 2.93Å
312A87.6Confident89.5Confident30 Ų3079 Ų7925%0.24842%0.418CS..Hα-helixtrans-64.7-32.5177.400000112.2L270 M305 K309 V315 A316L270-A312 HydrophobicContact CD1-CB 3.91Å; M305-A312 HydrophobicContact SD-CB 4.02Å; K309-A312 HydrophobicContact CB-CB 4.33Å; K309-A312 PolarHBondContact O-N 3.27Å; A312-V315 PolarHBondContact O-N 2.72Å; A312-A316 VanDerWaalsContact O-CB 3.25Å; A312-A316 WeakPolarHBondContact O-CB 3.47Å; A312-A316 PolarHBondContact O-N 3.11Å
313A91.1Very high89.6Confident17 Ų1777.6 Ų77.614%0.1441%0.408CS..Hα-helixtrans-68.5-36.7174.400000112.1P302 M305 K309 A310 E311 K317P302-A313 HydrophobicContact CB-CB 4.11Å; P302-A313 WeakPolarHBondContact CG-O 3.33Å; M305-A313 HydrophobicContact CB-CB 4.27Å; M305-A313 HydrophobicContact CG-CB 4.42Å; M305-A313 VanDerWaalsContact SD-CA 3.56Å; M305-A313 HydrophobicContact SD-CB 3.84Å; M305-A313 PolarHBondContact SD-N 2.73Å; M305-A313 VanDerWaalsContact SD-N 3.43Å; K309-A313 PolarHBondContact O-N 3.16Å; A310-A313 PolarHBondContact O-N 3.39Å; E311-A313 VanDerWaalsContact C-N 3.28Å; E311-A313 PolarHBondContact O-N 3.01Å; A313-K317 WeakPolarHBondContact O-CB 3.44Å; A313-K317 PolarHBondContact O-N 3.32Å; A313-K317 VanDerWaalsContact O-N 3.08Å
314M90.7Very high89.6Confident101 Ų10175 Ų7550%0.49840%0.397SS..Hα-helixtrans-66.6-48.1170.8-72.5-65.8-62.800111.4A310 E311 A316 K317 D318A310-M314 WeakPolarHBondContact O-CG 3.47Å; A310-M314 PolarHBondContact O-N 3.05Å; E311-M314 WeakPolarHBondContact O-CB 3.38Å; E311-M314 PolarHBondContact O-N 3.45Å; E311-M314 VanDerWaalsContact O-N 3.17Å; M314-A316 VanDerWaalsContact C-N 3.32Å; M314-A316 PolarHBondContact O-N 3.24Å; M314-K317 WeakPolarHBondContact O-CB 3.39Å; M314-K317 PolarHBondContact O-N 3.29Å; M314-D318 PolarHBondContact O-N 3.13Å
315V91.4Very high89.3Confident45 Ų4573 Ų7327%0.27339%0.386SS..Hα-helixtrans-57.6-44.7175.4173.40000111.2L270 L272 E311 A312 K317 D318 L319L270-V315 HydrophobicContact CB-CG1 4.11Å; L272-V315 HydrophobicContact CB-CG1 4.09Å; L272-V315 HydrophobicContact CD2-CG1 4.45Å; E311-V315 WeakPolarHBondContact O-CG2 3.42Å; E311-V315 PolarHBondContact O-N 2.93Å; A312-V315 PolarHBondContact O-N 2.72Å; V315-K317 PolarHBondContact O-N 3.41Å; V315-D318 PolarHBondContact O-N 2.92Å; V315-L319 WeakPolarHBondContact O-CB 3.13Å; V315-L319 PolarHBondContact O-N 3.44Å
316A93.1Very high89Confident0 Ų072.2 Ų72.20%039%0.386CS..Hα-helixtrans-60.9-43.1177.300000112.8L270 V299 P302 M305 A312 M314 K320L270-A316 HydrophobicContact CD1-CB 4.45Å; L270-A316 HydrophobicContact CD2-CB 3.6Å; V299-A316 HydrophobicContact CG1-CB 4.08Å; V299-A316 WeakPolarHBondContact CG1-O 3.37Å; P302-A316 HydrophobicContact CG-CB 4.13Å; M305-A316 HydrophobicContact CE-CB 3.59Å; A312-A316 VanDerWaalsContact O-CB 3.25Å; A312-A316 WeakPolarHBondContact O-CB 3.47Å; A312-A316 PolarHBondContact O-N 3.11Å; M314-A316 VanDerWaalsContact C-N 3.32Å; M314-A316 PolarHBondContact O-N 3.24Å; A316-K320 WeakPolarHBondContact O-CB 3.46Å; A316-K320 PolarHBondContact O-N 3.35Å
317K93.1Very high88.1Confident113 Ų11375.2 Ų75.249%0.49140%0.402SS..Hα-helixtrans-60.8-50.4175.1177.4-166.3161.5-124.10111.4P302 A313 M314 V315 K320 Q321P302-K317 HydrophobicContact CG-CB 3.98Å; A313-K317 WeakPolarHBondContact O-CB 3.44Å; A313-K317 PolarHBondContact O-N 3.32Å; A313-K317 VanDerWaalsContact O-N 3.08Å; M314-K317 WeakPolarHBondContact O-CB 3.39Å; M314-K317 PolarHBondContact O-N 3.29Å; V315-K317 PolarHBondContact O-N 3.41Å; K317-K320 PolarHBondContact O-N 3.24Å; K317-Q321 PolarHBondContact O-N 2.78Å
318D91.6Very high87.1Confident75 Ų7569 Ų6940%0.40137%0.372SS..Hα-helixtrans-72.5-34.8-173.8-64.2-13.1000111.4M314 V315 Q321 L322M314-D318 PolarHBondContact O-N 3.13Å; V315-D318 PolarHBondContact O-N 2.92Å; D318-Q321 PolarHBondContact O-N 3.05Å; D318-L322 WeakPolarHBondContact O-CB 3.48Å; D318-L322 PolarHBondContact O-N 3.06Å
319L93.9Very high85.6Confident0 Ų067.3 Ų67.30%036%0.362CS..Hα-helixtrans-66.8-41.7172.7-169.3158.1000111.6A267 L272 V275 V299 V315 L322 L323A267-L319 HydrophobicContact CB-CD2 3.97Å; L272-L319 HydrophobicContact CB-CD1 4.33Å; L272-L319 HydrophobicContact CD1-CB 4.07Å; L272-L319 HydrophobicContact CD1-CD1 4.33Å; L272-L319 HydrophobicContact CD1-CG 4.24Å; V275-L319 HydrophobicContact CB-CD1 4.49Å; V275-L319 HydrophobicContact CB-CG 4.47Å; V275-L319 HydrophobicContact CG1-CG 4.39Å; V275-L319 HydrophobicContact CG2-CD1 3.96Å; V275-L319 HydrophobicContact CG2-CD2 4.24Å; V275-L319 HydrophobicContact CG2-CG 4.14Å; V299-L319 HydrophobicContact CB-CD2 4.47Å; V299-L319 HydrophobicContact CG1-CD2 4.06Å; V299-L319 HydrophobicContact CG2-CD2 3.52Å; V315-L319 WeakPolarHBondContact O-CB 3.13Å; V315-L319 PolarHBondContact O-N 3.44Å; L319-L322 PolarHBondContact O-N 2.92Å; L319-L323 HydrophobicContact CD2-CD1 3.5Å; L319-L323 HydrophobicContact CD2-CG 4.31Å; L319-L323 WeakPolarHBondContact O-CG 3.4Å; L319-L323 PolarHBondContact O-N 2.89Å
320K93.8Very high83.5Confident60 Ų6068 Ų6826%0.26138%0.378SS..Hα-helixtrans-63.9-40.3175.1-169.9170.2-173.3167.40111.2V299 D301 A316 K317 L324V299-K320 HydrophobicContact CB-CB 4.29Å; V299-K320 HydrophobicContact CG1-CB 4.21Å; V299-K320 HydrophobicContact CG2-CB 4.26Å; D301-K320 IonicContact OD2-NZ 3.49Å; D301-K320 PolarHBondContact OD2-NZ 3.01Å; A316-K320 WeakPolarHBondContact O-CB 3.46Å; A316-K320 PolarHBondContact O-N 3.35Å; K317-K320 PolarHBondContact O-N 3.24Å; K320-L324 HydrophobicContact CG-CD1 4.47Å; K320-L324 VanDerWaalsContact O-CG 3.25Å; K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.1Å
321Q90.8Very high81.1Confident100 Ų10070.2 Ų70.247%0.46739%0.388SS..Hα-helixtrans-63.8-50173.2-173.560.648.900111.4K317 D318 L323 L324 D325K317-Q321 PolarHBondContact O-N 2.78Å; D318-Q321 PolarHBondContact O-N 3.05Å; Q321-L323 VanDerWaalsContact C-N 3.27Å; Q321-L323 PolarHBondContact O-N 3.47Å; Q321-L324 PolarHBondContact O-N 3.43Å; Q321-D325 WeakPolarHBondContact CG-OD2 3.39Å; Q321-D325 PolarHBondContact NE2-OD1 2.57Å; Q321-D325 PolarHBondContact NE2-OD2 3.42Å; Q321-D325 PolarHBondContact O-N 3.13Å
322L91.9Very high78.9Confident59 Ų5970.1 Ų70.131%0.30939%0.392SS..Hα-helixtrans-54.1-40.9177.4178.765000112.7L272 V275 K276 L279 D318 L319 A326L272-L322 HydrophobicContact CD1-CD2 4.11Å; V275-L322 HydrophobicContact CG1-CD2 3.99Å; K276-L322 HydrophobicContact CG-CD2 3.76Å; L279-L322 HydrophobicContact CD1-CD2 4.33Å; L279-L322 HydrophobicContact CD1-CG 4.05Å; D318-L322 WeakPolarHBondContact O-CB 3.48Å; D318-L322 PolarHBondContact O-N 3.06Å; L319-L322 PolarHBondContact O-N 2.92Å; L322-A326 VanDerWaalsContact O-CB 3.28Å; L322-A326 WeakPolarHBondContact O-CB 3.11Å; L322-A326 PolarHBondContact O-N 3.44Å
323L92Very high76.3Confident7 Ų773.4 Ų73.44%0.03741%0.405CS..Hα-helixtrans-76.3-20.1178.1-72.6171.8000114.5L263 A267 V275 L279 P295 A296 V299 L319 Q321L263-L323 HydrophobicContact CD1-CD2 4.04Å; L263-L323 HydrophobicContact CD2-CD2 4.22Å; L263-L323 HydrophobicContact CG-CD2 4.21Å; A267-L323 HydrophobicContact CB-CD1 3.6Å; V275-L323 HydrophobicContact CG1-CD2 3.89Å; V275-L323 HydrophobicContact CG1-CG 4.11Å; L279-L323 HydrophobicContact CD1-CD2 4.18Å; L279-L323 HydrophobicContact CD2-CD2 4.42Å; P295-L323 HydrophobicContact CB-CD1 3.87Å; P295-L323 HydrophobicContact CB-CD2 4.07Å; A296-L323 HydrophobicContact CB-CB 3.84Å; V299-L323 HydrophobicContact CG2-CD1 3.99Å; L319-L323 HydrophobicContact CD2-CD1 3.5Å; L319-L323 HydrophobicContact CD2-CG 4.31Å; L319-L323 WeakPolarHBondContact O-CG 3.4Å; L319-L323 PolarHBondContact O-N 2.89Å; Q321-L323 VanDerWaalsContact C-N 3.27Å; Q321-L323 PolarHBondContact O-N 3.47Å
324L88.6Confident73.7Confident114 Ų11476.7 Ų76.760%0.59743%0.425SS*.Hα-helixtrans-84-34.8173.4-71.7169.1000111.8A296 K320 Q321 A326A296-L324 HydrophobicContact CB-CD2 3.98Å; A296-L324 HydrophobicContact CB-CG 4.12Å; K320-L324 HydrophobicContact CG-CD1 4.47Å; K320-L324 VanDerWaalsContact O-CG 3.25Å; K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.1Å; Q321-L324 PolarHBondContact O-N 3.43Å; L324-A326 VanDerWaalsContact C-N 3.34Å
325D84.5Confident71.2Confident107 Ų10778.4 Ų78.457%0.57243%0.43SS*.Hα-helixtrans-78.2-19.4174.8-64.3-33.3000112.6Q321 V327Q321-D325 WeakPolarHBondContact CG-OD2 3.39Å; Q321-D325 PolarHBondContact NE2-OD1 2.57Å; Q321-D325 PolarHBondContact NE2-OD2 3.42Å; Q321-D325 PolarHBondContact O-N 3.13Å; D325-V327 PolarHBondContact O-N 3.13Å; D325-V327 VanDerWaalsContact O-N 3.11Å
326A82.6Confident68.6Low23 Ų2379.6 Ų79.619%0.1944%0.444CS..  trans-66.9106.3177.500000112.1L279 P285 L322 L324L279-A326 HydrophobicContact CD1-CB 4.09Å; L279-A326 HydrophobicContact CD2-CB 3.9Å; P285-A326 HydrophobicContact CB-CB 4.08Å; P285-A326 HydrophobicContact CG-CB 3.84Å; P285-A326 WeakPolarHBondContact CG-O 3.28Å; L322-A326 VanDerWaalsContact O-CB 3.28Å; L322-A326 WeakPolarHBondContact O-CB 3.11Å; L322-A326 PolarHBondContact O-N 3.44Å; L324-A326 VanDerWaalsContact C-N 3.34Å
327V67.4Low65.7Low120 Ų12083 Ų8373%0.72747%0.465SS*.  trans-79.6133.6171.8-175.50000109.8D325 L329D325-V327 PolarHBondContact O-N 3.13Å; D325-V327 VanDerWaalsContact O-N 3.11Å; V327-L329 PolarHBondContact O-N 3.12Å
328P60.6Low63Low43 Ų4380 Ų8028%0.27946%0.455SS..  trans-57.5123170.4-24.934.7000111.6N284 P285 T286 S330N284-P328 WeakPolarHBondContact OD1-CB 3.15Å; N284-P328 WeakPolarHBondContact OD1-CG 3.17Å; P285-P328 HydrophobicContact CG-CG 4.21Å; T286-P328 HydrophobicContact CG2-CG 3.45Å; T286-P328 VanDerWaalsContact CG2-CG 3.45Å; T286-P328 WeakPolarHBondContact OG1-CG 3.42Å; P328-S330 PolarHBondContact O-N 2.93Å
329L55.6Low60.4Low93 Ų9382 Ų8249%0.48747%0.472SS..  trans-61.3107.9174.8-66.9-178000109.8V327 C331 L338V327-L329 PolarHBondContact O-N 3.12Å; L329-C331 PolarHBondContact O-N 2.74Å; L329-L338 HydrophobicContact CD1-CD1 4.05Å; L329-L338 HydrophobicContact CD1-CD2 4.07Å; L329-L338 HydrophobicContact CD2-CD2 4.26Å
330S41.6Very low57.8Low96 Ų9686.6 Ų86.667%0.67150%0.496SS*.  trans-73.387.1-174.953.70000111.6P328P328-S330 PolarHBondContact O-N 2.93Å
331C36.1Very low55.1Low108 Ų10885.7 Ų85.773%0.7349%0.491SS*.SBendtrans39.2107.7163.158.40000117.4L329L329-C331 PolarHBondContact O-N 2.74Å
332N39.3Very low52.8Low161 Ų16183.7 Ų83.786%0.86148%0.484SS*.  trans70.849.2168.9-51.6-37.5000116.5
333L33.7Very low50.5Low99 Ų9984 Ų8452%0.51849%0.486SS..  trans-67.2133.9148.2-108.266.9000109.1T337 L338L333-T337 WeakPolarHBondContact CB-OG1 3.27Å; L333-T337 WeakPolarHBondContact CD2-OG1 3.5Å; L333-T337 VanDerWaalsContact CG-OG1 3.3Å; L333-T337 WeakPolarHBondContact CG-OG1 3.34Å; L333-L338 HydrophobicContact CD2-CD2 4.48Å
334P35.1Very low48.7Very low87 Ų8786.4 Ų86.457%0.56550%0.498SS*.  trans-61.7145.4169.2-2133000111A336 T337P334-A336 PolarHBondContact O-N 3.34Å; P334-T337 PolarHBondContact O-N 2.98Å; P334-T337 PolarHBondContact O-OG1 2.77Å
335K38.6Very low47.5Very low136 Ų13684.5 Ų84.559%0.59149%0.493SS*.G310 helixtrans-51.2-30.6179.3-78.5-168.6170.4-170.60113.8T337K335-T337 PolarHBondContact O-N 2.55Å; K335-T337 VanDerWaalsContact O-N 3.11Å
336A36.1Very low46.2Very low70 Ų7080.1 Ų80.158%0.57947%0.473SS*.G310 helixtrans-72.110.1176.400000115.7P334P334-A336 PolarHBondContact O-N 3.34Å
337T33.5Very low45.2Very low72 Ų7284.6 Ų84.644%0.44249%0.494SS..G310 helixtrans-121.97.6-177.357.40000114.8L333 P334 K335L333-T337 WeakPolarHBondContact CB-OG1 3.27Å; L333-T337 WeakPolarHBondContact CD2-OG1 3.5Å; L333-T337 VanDerWaalsContact CG-OG1 3.3Å; L333-T337 WeakPolarHBondContact CG-OG1 3.34Å; P334-T337 PolarHBondContact O-N 2.98Å; P334-T337 PolarHBondContact O-OG1 2.77Å; K335-T337 PolarHBondContact O-N 2.55Å; K335-T337 VanDerWaalsContact O-N 3.11Å
338L36.1Very low45.1Very low51 Ų5182.7 Ų82.727%0.26748%0.479SS..SBendtrans-102.5120166.2-67.1174.9000109.2L329 L333 Y341L329-L338 HydrophobicContact CD1-CD1 4.05Å; L329-L338 HydrophobicContact CD1-CD2 4.07Å; L329-L338 HydrophobicContact CD2-CD2 4.26Å; L333-L338 HydrophobicContact CD2-CD2 4.48Å; L338-Y341 HydrophobicContact CB-CD2 4.47Å; L338-Y341 HydrophobicContact CD1-CD2 3.92Å; L338-Y341 HydrophobicContact CD1-CE2 4.29Å
339P35.9Very low45.4Very low117 Ų11782.5 Ų82.576%0.7648%0.475SS*.THydrogen-bonded Turntrans-57.8148164.4-20.332.7000110.5Y341P339-Y341 VanDerWaalsContact C-N 3.34Å; P339-Y341 PolarHBondContact O-N 3.11Å
340N39.5Very low46.3Very low96 Ų9678.2 Ų78.251%0.51345%0.452SS..THydrogen-bonded Turntrans64.817.2172-62.45.7000117.9D342N340-D342 PolarHBondContact O-N 2.91Å
341Y38.4Very low47.8Very low40 Ų4076.8 Ų76.816%0.15745%0.447CS..THydrogen-bonded Turntrans-59.9-31.2178-162-88.8000113.7H281 L338 P339H281-Y341 AromaticContact CD2-CZ 3.79Å; H281-Y341 PolarHBondContact CD2-OH 3.01Å; H281-Y341 VanDerWaalsContact CD2-OH 3.3Å; L338-Y341 HydrophobicContact CB-CD2 4.47Å; L338-Y341 HydrophobicContact CD1-CD2 3.92Å; L338-Y341 HydrophobicContact CD1-CE2 4.29Å; P339-Y341 VanDerWaalsContact C-N 3.34Å; P339-Y341 PolarHBondContact O-N 3.11Å
342D42.2Very low49.5Very low58 Ų5875.5 Ų75.531%0.3144%0.443SS..THydrogen-bonded Turntrans-105.727.5-171.8-61.9-66.5000114.3N340 I344 T376 G382 Q383N340-D342 PolarHBondContact O-N 2.91Å; D342-I344 PolarHBondContact O-N 3.1Å; D342-T376 HydrophobicContact CB-CG2 4.08Å; D342-G382 VanDerWaalsContact OD2-CA 3.25Å; D342-G382 WeakPolarHBondContact OD2-CA 3.32Å; D342-G382 PolarHBondContact OD2-N 3.35Å; D342-Q383 PolarHBondContact O-NE2 3.06Å
343N44.2Very low51.1Low65 Ų6572.2 Ų72.235%0.34843%0.426SS..  trans-71.971.8175.8-84.9-14.5000113.1R239R239-N343 PolarHBondContact NE-O 3.3Å
344I53.7Low53.1Low58 Ų5870.1 Ų70.130%0.29743%0.427SS..  trans-85.8132.1146.1-62.9169.5000105.9D342 G346 L348 M349 Q383D342-I344 PolarHBondContact O-N 3.1Å; I344-G346 PolarHBondContact O-N 3.22Å; I344-L348 HydrophobicContact CG2-CB 4.33Å; I344-L348 HydrophobicContact CG2-CD2 4.44Å; I344-M349 HydrophobicContact CB-CE 4.3Å; I344-M349 HydrophobicContact CD1-CE 3.52Å; I344-M349 HydrophobicContact CG1-CE 4.5Å; I344-M349 HydrophobicContact CG2-CB 4.22Å; I344-M349 HydrophobicContact CG2-CE 4.21Å; I344-Q383 PolarHBondContact O-NE2 2.95Å
345P62.4Low55.3Low75 Ų7566.8 Ų66.849%0.48741%0.405SS..  trans-54.1131.2172.9-26.936.3000110.9N347 L348 M349P345-N347 VanDerWaalsContact C-N 3.27Å; P345-N347 WeakPolarHBondContact CB-OD1 3.41Å; P345-N347 PolarHBondContact O-N 3Å; P345-L348 HydrophobicContact CB-CB 4.18Å; P345-L348 WeakPolarHBondContact O-CB 3.44Å; P345-L348 PolarHBondContact O-N 2.97Å; P345-M349 PolarHBondContact O-N 2.92Å; P345-M349 VanDerWaalsContact O-N 3.07Å
346G58.5Low57.3Low15 Ų1566.6 Ų66.616%0.15540%0.404CS..Hα-helixtrans-58.6-38.5-171.600000113.2I344 M349 L350I344-G346 PolarHBondContact O-N 3.22Å; G346-M349 PolarHBondContact O-N 3.11Å; G346-L350 WeakPolarHBondContact O-CG 3.42Å; G346-L350 PolarHBondContact O-N 3.23Å
347N61.9Low59.3Low117 Ų11768.2 Ų68.263%0.62640%0.402SS*.Hα-helixtrans-59.2-42.5171.659.6-27000113P345 M349 L350 A351P345-N347 VanDerWaalsContact C-N 3.27Å; P345-N347 WeakPolarHBondContact CB-OD1 3.41Å; P345-N347 PolarHBondContact O-N 3Å; N347-M349 VanDerWaalsContact C-N 3.33Å; N347-M349 PolarHBondContact O-N 3.29Å; N347-L350 PolarHBondContact O-N 2.8Å; N347-A351 WeakPolarHBondContact O-CB 3.33Å; N347-A351 PolarHBondContact O-N 3.01Å
348L63.3Low61.4Low79 Ų7966.7 Ų66.741%0.41440%0.401SS..Hα-helixtrans-68.7-31.7177.8-173.363.6000112.3I344 P345 A352I344-L348 HydrophobicContact CG2-CB 4.33Å; I344-L348 HydrophobicContact CG2-CD2 4.44Å; P345-L348 HydrophobicContact CB-CB 4.18Å; P345-L348 WeakPolarHBondContact O-CB 3.44Å; P345-L348 PolarHBondContact O-N 2.97Å; L348-A352 WeakPolarHBondContact O-CB 3.1Å; L348-A352 PolarHBondContact O-N 2.93Å
349M68.6Low63.8Low40 Ų4065.6 Ų65.620%0.19740%0.396CS..Hα-helixtrans-68.5-40.9171.7179.860.263.500111.9I344 P345 G346 N347 L353 Q383 V418I344-M349 HydrophobicContact CB-CE 4.3Å; I344-M349 HydrophobicContact CD1-CE 3.52Å; I344-M349 HydrophobicContact CG1-CE 4.5Å; I344-M349 HydrophobicContact CG2-CB 4.22Å; I344-M349 HydrophobicContact CG2-CE 4.21Å; P345-M349 PolarHBondContact O-N 2.92Å; P345-M349 VanDerWaalsContact O-N 3.07Å; G346-M349 PolarHBondContact O-N 3.11Å; N347-M349 VanDerWaalsContact C-N 3.33Å; N347-M349 PolarHBondContact O-N 3.29Å; M349-L353 HydrophobicContact CG-CD1 4.45Å; M349-L353 WeakPolarHBondContact O-CD1 3.38Å; M349-L353 WeakPolarHBondContact O-CG 3.05Å; M349-L353 HydrophobicContact SD-CD1 4.32Å; M349-Q383 HydrophobicContact CE-CG 4.44Å; M349-V418 HydrophobicContact CG-CG1 4.2Å; M349-V418 HydrophobicContact CG-CG2 4.34Å
350L74.3Confident66.3Low2 Ų263.6 Ų63.61%0.0137%0.373CS..Hα-helixtrans-69.7-42.7178-66.1176.6000112G346 N347 A352 L353 G354 L355 L357 L371 C374 V385G346-L350 WeakPolarHBondContact O-CG 3.42Å; G346-L350 PolarHBondContact O-N 3.23Å; N347-L350 PolarHBondContact O-N 2.8Å; L350-A352 VanDerWaalsContact C-N 3.28Å; L350-A352 PolarHBondContact O-N 3.05Å; L350-L353 CarbonylContact O-C 3.43Å; L350-L353 WeakPolarHBondContact O-CA 3.48Å; L350-L353 WeakPolarHBondContact O-CB 3.45Å; L350-L353 PolarHBondContact O-N 2.95Å; L350-G354 PolarHBondContact O-N 3.28Å; L350-G354 VanDerWaalsContact O-N 3.16Å; L350-L355 CarbonylContact C-O 3.59Å; L350-L355 HydrophobicContact CB-CB 4.17Å; L350-L355 VanDerWaalsContact CB-O 3.24Å; L350-L355 WeakPolarHBondContact CB-O 3.42Å; L350-L355 HydrophobicContact CD2-CB 4.15Å; L350-L355 HydrophobicContact CD2-CD1 4.41Å; L350-L355 PolarHBondContact O-N 2.8Å; L350-L357 HydrophobicContact CD1-CD2 3.7Å; L350-L357 HydrophobicContact CD1-CG 4.01Å; L350-L371 HydrophobicContact CD1-CD2 3.78Å; L350-L371 HydrophobicContact CD2-CD2 3.61Å; L350-L371 HydrophobicContact CG-CD2 4.34Å; L350-C374 HydrophobicContact CD1-CB 3.67Å; L350-C374 HydrophobicContact CD2-CB 4.05Å; L350-C374 HydrophobicContact CG-CB 3.81Å; L350-V385 HydrophobicContact CD2-CG1 4.44Å
351A72.1Confident68.8Low67 Ų6759 Ų5955%0.55435%0.348SS*.Hα-helixtrans-59.3-38.4174.900000112.2N347 L353 G354 L355N347-A351 WeakPolarHBondContact O-CB 3.33Å; N347-A351 PolarHBondContact O-N 3.01Å; A351-L353 PolarHBondContact O-N 3.36Å; A351-L353 VanDerWaalsContact O-N 3.1Å; A351-G354 PolarHBondContact O-N 3Å; A351-L355 PolarHBondContact N-O 3Å
352A71.6Confident71.3Confident80 Ų8058.8 Ų58.866%0.66135%0.351SS*.THydrogen-bonded Turntrans-69.2-0.5173.600000114.6L348 L350L348-A352 WeakPolarHBondContact O-CB 3.1Å; L348-A352 PolarHBondContact O-N 2.93Å; L350-A352 VanDerWaalsContact C-N 3.28Å; L350-A352 PolarHBondContact O-N 3.05Å
353L73.4Confident73.4Confident93 Ų9356.5 Ų56.549%0.48734%0.339SS..THydrogen-bonded Turntrans-125.47.1178.2-64.5170.2000112.8M349 L350 A351 L355 V418M349-L353 HydrophobicContact CG-CD1 4.45Å; M349-L353 WeakPolarHBondContact O-CD1 3.38Å; M349-L353 WeakPolarHBondContact O-CG 3.05Å; M349-L353 HydrophobicContact SD-CD1 4.32Å; L350-L353 CarbonylContact O-C 3.43Å; L350-L353 WeakPolarHBondContact O-CA 3.48Å; L350-L353 WeakPolarHBondContact O-CB 3.45Å; L350-L353 PolarHBondContact O-N 2.95Å; A351-L353 PolarHBondContact O-N 3.36Å; A351-L353 VanDerWaalsContact O-N 3.1Å; L353-L355 HydrophobicContact CB-CD1 4.46Å; L353-V418 HydrophobicContact CD1-CG1 3.26Å
354G76.1Confident74.9Confident54 Ų5458.4 Ų58.456%0.55735%0.349SS*.THydrogen-bonded Turntrans68.530.7-177.700000114.2L350 A351L350-G354 PolarHBondContact O-N 3.28Å; L350-G354 VanDerWaalsContact O-N 3.16Å; A351-G354 PolarHBondContact O-N 3Å
355L80.6Confident75.9Confident17 Ų1759.3 Ų59.39%0.08936%0.355CS..  trans-126.1156.7-177.8-66.2174.2000112.3L350 A351 L353 D359 V361 I421 K423L350-L355 CarbonylContact C-O 3.59Å; L350-L355 HydrophobicContact CB-CB 4.17Å; L350-L355 VanDerWaalsContact CB-O 3.24Å; L350-L355 WeakPolarHBondContact CB-O 3.42Å; L350-L355 HydrophobicContact CD2-CB 4.15Å; L350-L355 HydrophobicContact CD2-CD1 4.41Å; L350-L355 PolarHBondContact O-N 2.8Å; A351-L355 PolarHBondContact N-O 3Å; L353-L355 HydrophobicContact CB-CD1 4.46Å; L355-D359 VanDerWaalsContact CA-OD2 3.27Å; L355-D359 WeakPolarHBondContact CA-OD2 3.44Å; L355-D359 HydrophobicContact CD2-CB 4.34Å; L355-V361 HydrophobicContact CD1-CG1 4.38Å; L355-V361 HydrophobicContact CD2-CG1 4.2Å; L355-I421 HydrophobicContact CD1-CD1 3.76Å; L355-K423 HydrophobicContact CD2-CB 3.82Å; L355-K423 HydrophobicContact CD2-CD 4.48Å; L355-K423 HydrophobicContact CD2-CG 4Å
356K80.5Confident76.6Confident133 Ų13363.1 Ų63.158%0.57837%0.37SS*.  trans-134.1163.7169.257.1-173.3174-169.40111.8D359K356-D359 WeakPolarHBondContact CG-OD1 3.39Å; K356-D359 PolarHBondContact N-OD2 3.07Å; K356-D359 WeakPolarHBondContact O-CB 3.46Å; K356-D359 PolarHBondContact O-N 3.48Å
357L78Confident77.9Confident103 Ų10364.9 Ų64.954%0.53937%0.373SS..THydrogen-bonded Turntrans-67134.9171.9-65.5178.2000108.8L350 L371 C374L350-L357 HydrophobicContact CD1-CD2 3.7Å; L350-L357 HydrophobicContact CD1-CG 4.01Å; L357-L371 HydrophobicContact CD2-CG 4.14Å; L357-C374 HydrophobicContact CD2-CB 4.46Å
358G78.9Confident79.3Confident41 Ų4161.7 Ų61.742%0.42336%0.358SS..THydrogen-bonded Turntrans101-16.5-169.600000114.3T370 L371G358-T370 WeakPolarHBondContact O-CG2 3.3Å; G358-L371 PolarHBondContact N-O 3.45Å
359D85.3Confident80.6Confident28 Ų2858 Ų5815%0.1534%0.339CS..  trans-66.1151.2-179.3-76.5-8.2000113.7L355 K356 T370 L371L355-D359 VanDerWaalsContact CA-OD2 3.27Å; L355-D359 WeakPolarHBondContact CA-OD2 3.44Å; L355-D359 HydrophobicContact CD2-CB 4.34Å; K356-D359 WeakPolarHBondContact CG-OD1 3.39Å; K356-D359 PolarHBondContact N-OD2 3.07Å; K356-D359 WeakPolarHBondContact O-CB 3.46Å; K356-D359 PolarHBondContact O-N 3.48Å; D359-T370 WeakPolarHBondContact O-CA 3.25Å; D359-L371 PolarHBondContact O-N 3.29Å
360R88.4Confident81.5Confident74 Ų7457.2 Ų57.228%0.27934%0.336SS..EExtended strand (participates in β ladder)trans-77.2121.7168.6-59.3-65.4-70.3161.5-1.5109T370 D390 A424R360-T370 PolarHBondContact NH1-OG1 2.95Å; R360-D390 IonicContact CZ-OD1 3.81Å; R360-D390 IonicContact CZ-OD2 3.19Å; R360-D390 IonicContact NH1-OD1 2.75Å; R360-D390 PolarHBondContact NH1-OD1 2.84Å; R360-D390 IonicContact NH1-OD2 2.77Å; R360-D390 IonicContact NH2-OD1 2.73Å; R360-D390 PolarHBondContact NH2-OD1 3.47Å; R360-D390 IonicContact NH2-OD2 2.73Å; R360-D390 PolarHBondContact NH2-OD2 2.89Å; R360-A424 HydrophobicContact CB-CB 3.75Å; R360-A424 WeakPolarHBondContact O-CB 3.26Å; R360-A424 PolarHBondContact O-N 3.07Å
361V91.4Very high82.2Confident0 Ų057.1 Ų57.10%034%0.336CS..EExtended strand (participates in β ladder)trans-127.1143.5-179.6-66.20000111.5L355 T368 G369 L371 V387 I421 S422L355-V361 HydrophobicContact CD1-CG1 4.38Å; L355-V361 HydrophobicContact CD2-CG1 4.2Å; V361-T368 WeakPolarHBondContact O-CA 3.47Å; V361-G369 PolarHBondContact N-O 2.89Å; V361-G369 PolarHBondContact O-N 3.25Å; V361-L371 HydrophobicContact CG1-CB 4.26Å; V361-L371 HydrophobicContact CG1-CD2 4.5Å; V361-L371 HydrophobicContact CG2-CB 4.19Å; V361-V387 HydrophobicContact CG2-CG1 3.92Å; V361-V387 HydrophobicContact CG2-CG2 3.82Å; V361-I421 HydrophobicContact CB-CB 4.25Å; V361-I421 HydrophobicContact CB-CG2 4.3Å; V361-I421 HydrophobicContact CG1-CD1 4.18Å; V361-I421 HydrophobicContact CG2-CG2 4.23Å; V361-S422 CarbonylContact C-O 3.1Å; V361-S422 VanDerWaalsContact CA-O 3.27Å; V361-S422 WeakPolarHBondContact CA-O 3.47Å
362V91.5Very high82.7Confident36 Ų3659.3 Ų59.322%0.21833%0.33CS..EExtended strand (participates in β ladder)trans-104.7133173.1-175.30000108.8T368 I421 S422 A424V362-T368 HydrophobicContact CG2-CG2 4.38Å; V362-I421 VanDerWaalsContact O-CA 3.3Å; V362-I421 WeakPolarHBondContact O-CA 3.01Å; V362-S422 PolarHBondContact N-O 3.1Å; V362-S422 PolarHBondContact O-N 3.49Å; V362-A424 HydrophobicContact CG2-CB 3.93Å
363L86.2Confident83.3Confident10 Ų1057.2 Ų57.25%0.05231%0.306CS..EExtended strand (participates in β ladder)trans-90.3155.4175.4-71.1153.3000111.8D365 L366 K367 L389 I414 A416 K420 I421L363-D365 WeakPolarHBondContact CB-OD1 3.29Å; L363-D365 PolarHBondContact O-N 2.98Å; L363-L366 PolarHBondContact O-N 3.24Å; L363-K367 HydrophobicContact CB-CB 4.42Å; L363-K367 HydrophobicContact CD1-CB 4.12Å; L363-K367 PolarHBondContact N-O 2.91Å; L363-L389 HydrophobicContact CD1-CD2 3.66Å; L363-I414 HydrophobicContact CD1-CG2 3.81Å; L363-A416 HydrophobicContact CD2-CB 3.55Å; L363-K420 WeakPolarHBondContact CA-O 3.13Å; L363-I421 HydrophobicContact CD2-CG2 3.56Å; L363-I421 HydrophobicContact CG-CG2 4.13Å
364D76.4Confident83.6Confident104 Ų10453.5 Ų53.556%0.55629%0.287SS*.THydrogen-bonded Turntrans-43.8-28.9171.7-77.812.6000115.3L366 K420D364-L366 VanDerWaalsContact C-N 3.33Å; D364-K420 PolarHBondContact N-O 3.45Å; D364-K420 VanDerWaalsContact OD1-CA 3.32Å; D364-K420 WeakPolarHBondContact OD1-CA 3.37Å; D364-K420 WeakPolarHBondContact OD2-CD 3.42Å; D364-K420 VanDerWaalsContact OD2-CG 3.32Å; D364-K420 WeakPolarHBondContact OD2-CG 3.41Å; D364-K420 IonicContact OD2-NZ 3.07Å; D364-K420 PolarHBondContact OD2-NZ 3.24Å
365D73.6Confident83.5Confident78 Ų7851.3 Ų51.342%0.41727%0.265SS..THydrogen-bonded Turntrans-94.325.7179.166.4-20.2000114.1L363 K367L363-D365 WeakPolarHBondContact CB-OD1 3.29Å; L363-D365 PolarHBondContact O-N 2.98Å; D365-K367 PolarHBondContact O-N 3Å; D365-K367 WeakPolarHBondContact OD2-CD 3.36Å; D365-K367 WeakPolarHBondContact OD2-CE 3.32Å; D365-K367 IonicContact OD2-NZ 3.24Å; D365-K367 PolarHBondContact OD2-NZ 3.19Å
366L77.4Confident83Confident155 Ų15552.7 Ų52.781%0.81227%0.274SS*.SBendtrans59.626.4178.9-64.5173000114.5L363 D364L363-L366 PolarHBondContact O-N 3.24Å; D364-L366 VanDerWaalsContact C-N 3.33Å
367K86.6Confident82.7Confident51 Ų5147.1 Ų47.122%0.22225%0.252CS..  trans-99.6122.8179-68.4171.8-164.9168.80110.6L363 D365 L389 E393L363-K367 HydrophobicContact CB-CB 4.42Å; L363-K367 HydrophobicContact CD1-CB 4.12Å; L363-K367 PolarHBondContact N-O 2.91Å; D365-K367 PolarHBondContact O-N 3Å; D365-K367 WeakPolarHBondContact OD2-CD 3.36Å; D365-K367 WeakPolarHBondContact OD2-CE 3.32Å; D365-K367 IonicContact OD2-NZ 3.24Å; D365-K367 PolarHBondContact OD2-NZ 3.19Å; K367-L389 HydrophobicContact CB-CD2 3.92Å; K367-L389 HydrophobicContact CD-CD1 4.17Å; K367-E393 WeakPolarHBondContact CE-OE2 3.27Å; K367-E393 IonicContact NZ-OE2 2.74Å; K367-E393 PolarHBondContact NZ-OE2 3.17Å
368T91Very high82.4Confident51 Ų5149.8 Ų49.831%0.31326%0.261SS..EExtended strand (participates in β ladder)trans-88.1147.8172.7-42.80000110.2V361 V362 D390V361-T368 WeakPolarHBondContact O-CA 3.47Å; V362-T368 HydrophobicContact CG2-CG2 4.38Å; T368-D390 PolarHBondContact O-N 3.42Å
369G90.6Very high81.9Confident0 Ų051.5 Ų51.50%026%0.257CS..EExtended strand (participates in β ladder)trans-170.1178.5171.500000112V361 E388V361-G369 PolarHBondContact N-O 2.89Å; V361-G369 PolarHBondContact O-N 3.25Å; G369-E388 CarbonylContact C-O 3.52Å; G369-E388 WeakPolarHBondContact CA-O 3.27Å
370T86.9Confident80.7Confident24 Ų2451.5 Ų51.515%0.14726%0.261CS..EExtended strand (participates in β ladder)trans-96.9130179.4-61.30000110.2G358 D359 R360 R372 E388G358-T370 WeakPolarHBondContact O-CG2 3.3Å; D359-T370 WeakPolarHBondContact O-CA 3.25Å; R360-T370 PolarHBondContact NH1-OG1 2.95Å; T370-R372 PolarHBondContact O-N 2.99Å; T370-E388 PolarHBondContact N-O 3.2Å; T370-E388 PolarHBondContact O-N 3.08Å
371L89.4Confident79.1Confident0 Ų051.5 Ų51.50%027%0.272CS..EExtended strand (participates in β ladder)trans-72.3115.5180-17959.9000110.8L350 L357 G358 D359 V361 F373 V385 V387L350-L371 HydrophobicContact CD1-CD2 3.78Å; L350-L371 HydrophobicContact CD2-CD2 3.61Å; L350-L371 HydrophobicContact CG-CD2 4.34Å; L357-L371 HydrophobicContact CD2-CG 4.14Å; G358-L371 PolarHBondContact N-O 3.45Å; D359-L371 PolarHBondContact O-N 3.29Å; V361-L371 HydrophobicContact CG1-CB 4.26Å; V361-L371 HydrophobicContact CG1-CD2 4.5Å; V361-L371 HydrophobicContact CG2-CB 4.19Å; L371-F373 WeakPolarHBondContact CD1-O 3.48Å; L371-V385 HydrophobicContact CD1-CB 3.65Å; L371-V385 HydrophobicContact CD1-CG1 3.71Å; L371-V387 HydrophobicContact CD1-CG2 4.3Å
372R82.4Confident77.8Confident114 Ų11452.5 Ų52.543%0.4328%0.283SS..EExtended strand (participates in β ladder)trans-112.8-15.4-175.2-63.3-54.1-164.6-174.53.2114.9T370 G386 E388 F406T370-R372 PolarHBondContact O-N 2.99Å; R372-G386 PolarHBondContact N-O 3.46Å; R372-E388 HydrophobicContact CG-CB 3.69Å; R372-E388 IonicContact CZ-OE2 3.64Å; R372-E388 IonicContact NE-OE2 2.93Å; R372-E388 PolarHBondContact NE-OE2 3.08Å; R372-E388 IonicContact NH2-OE2 3.55Å; R372-E388 PolarHBondContact NH2-OE2 3.38Å; R372-F406 HydrophobicContact CB-CB 3.77Å; R372-F406 HydrophobicContact CB-CD1 4.46Å; R372-F406 HydrophobicContact CB-CD2 3.51Å; R372-F406 HydrophobicContact CB-CE2 4.13Å; R372-F406 HydrophobicContact CB-CG 3.69Å; R372-F406 HydrophobicContact CG-CD2 3.98Å; R372-F406 HydrophobicContact CG-CE2 4.4Å
373F83.9Confident77Confident35 Ų3551.9 Ų51.915%0.15428%0.278CS..EExtended strand (participates in β ladder)trans-152.4145.5179.8171.8-93.5000110.8L371 T377 V385 G386 Y405 F406 F415L371-F373 WeakPolarHBondContact CD1-O 3.48Å; F373-T377 HydrophobicContact CE1-CG2 4Å; F373-T377 HydrophobicContact CZ-CG2 4.46Å; F373-V385 CarbonylContact O-C 3.46Å; F373-V385 VanDerWaalsContact O-CA 3.27Å; F373-V385 WeakPolarHBondContact O-CA 3.28Å; F373-G386 PolarHBondContact N-O 3.14Å; F373-G386 PolarHBondContact O-N 3.25Å; F373-Y405 HydrophobicContact CE1-CD1 4.23Å; F373-Y405 AromaticContact CE2-CD1 3.9Å; F373-Y405 HydrophobicContact CE2-CD1 3.9Å; F373-Y405 HydrophobicContact CE2-CG 4.43Å; F373-Y405 AromaticContact CZ-CD1 3.7Å; F373-Y405 HydrophobicContact CZ-CD1 3.7Å; F373-Y405 HydrophobicContact CZ-CG 4.42Å; F373-F406 HydrophobicContact CB-CB 4.35Å; F373-F406 HydrophobicContact CB-CD1 3.85Å; F373-F406 HydrophobicContact CB-CG 4.45Å; F373-F415 HydrophobicContact CD1-CE1 4.01Å; F373-F415 HydrophobicContact CE1-CE1 4.39Å
374C79.7Confident76.8Confident15 Ų1553.8 Ų53.810%0.10128%0.284CS..EExtended strand (participates in β ladder)trans-142.4128.6163.4-175.70000108.8L350 L357 W384 V385L350-C374 HydrophobicContact CD1-CB 3.67Å; L350-C374 HydrophobicContact CD2-CB 4.05Å; L350-C374 HydrophobicContact CG-CB 3.81Å; L357-C374 HydrophobicContact CD2-CB 4.46Å; C374-W384 WeakPolarHBondContact CA-O 3.25Å; C374-V385 HydrophobicContact CB-CG1 4.27Å
375G74Confident77.4Confident9 Ų948.8 Ų48.89%0.09326%0.258CS..EExtended strand (participates in β ladder)trans164.6-173.3-179.700000114.5Q383 W384G375-Q383 VanDerWaalsContact CA-OE1 3.23Å; G375-W384 PolarHBondContact N-O 3.3Å; G375-W384 PolarHBondContact O-N 3.46Å
376T71.3Confident78.1Confident45 Ų4545.1 Ų45.128%0.27624%0.238SC..EExtended strand (participates in β ladder)trans-74.3151.3170.255.30000111.6D342D342-T376 HydrophobicContact CB-CG2 4.08Å
377T73.8Confident78.8Confident17 Ų1737.7 Ų37.710%0.10420%0.199CC..  trans-127.4156.8176.873.30000112.3F373 F379 A380 W384 Y405 F415F373-T377 HydrophobicContact CE1-CG2 4Å; F373-T377 HydrophobicContact CZ-CG2 4.46Å; T377-F379 VanDerWaalsContact C-N 3.34Å; T377-F379 VanDerWaalsContact CB-CE1 3.4Å; T377-F379 HydrophobicContact CG2-CD1 4.34Å; T377-F379 HydrophobicContact CG2-CE1 3.58Å; T377-F379 HydrophobicContact CG2-CZ 3.7Å; T377-F379 WeakPolarHBondContact OG1-CE1 3.32Å; T377-F379 WeakPolarHBondContact OG1-CZ 3.3Å; T377-A380 PolarHBondContact OG1-N 3.38Å; T377-A380 PolarHBondContact OG1-O 2.96Å; T377-W384 HydrophobicContact CG2-CB 3.84Å; T377-W384 HydrophobicContact CG2-CG 4.1Å; T377-Y405 HydrophobicContact CG2-CD1 4.31Å; T377-Y405 HydrophobicContact CG2-CE1 4Å; T377-F415 HydrophobicContact CG2-CD1 4.43Å; T377-F415 HydrophobicContact CG2-CE1 4.47Å
378E72.3Confident79.1Confident158 Ų15836.7 Ų36.774%0.73820%0.195SC*.SBendtrans-74.2-24.7175.8-64.2-170.2-175.900113.1V403 Y405E378-V403 WeakPolarHBondContact OE2-CG2 3.36Å; E378-Y405 PolarHBondContact N-OH 3.02Å
379F68.6Low79.2Confident77 Ų7734.5 Ų34.534%0.33818%0.181SC..SBendtrans-84.1-21-176.263.4-99.1000113.4T377 W384 V400 Y405 F415T377-F379 VanDerWaalsContact C-N 3.34Å; T377-F379 VanDerWaalsContact CB-CE1 3.4Å; T377-F379 HydrophobicContact CG2-CD1 4.34Å; T377-F379 HydrophobicContact CG2-CE1 3.58Å; T377-F379 HydrophobicContact CG2-CZ 3.7Å; T377-F379 WeakPolarHBondContact OG1-CE1 3.32Å; T377-F379 WeakPolarHBondContact OG1-CZ 3.3Å; F379-W384 HydrophobicContact CE2-CD2 4.17Å; F379-W384 HydrophobicContact CE2-CE3 4.17Å; F379-W384 HydrophobicContact CE2-CZ3 4.34Å; F379-W384 HydrophobicContact CZ-CD2 4.46Å; F379-W384 HydrophobicContact CZ-CE3 4.44Å; F379-V400 HydrophobicContact CB-CG1 3.85Å; F379-V400 HydrophobicContact CD1-CB 3.54Å; F379-V400 HydrophobicContact CD1-CG1 3.46Å; F379-V400 VanDerWaalsContact CD1-CG1 3.46Å; F379-V400 HydrophobicContact CD1-CG2 4.02Å; F379-V400 HydrophobicContact CE1-CB 3.85Å; F379-V400 HydrophobicContact CE1-CG1 4.11Å; F379-V400 HydrophobicContact CE1-CG2 3.82Å; F379-V400 HydrophobicContact CG-CB 4.3Å; F379-V400 HydrophobicContact CG-CG1 3.7Å; F379-V400 HydrophobicContact CZ-CG2 4.49Å; F379-Y405 HydrophobicContact CD1-CE2 4.24Å; F379-Y405 HydrophobicContact CE1-CE2 4.13Å; F379-F415 HydrophobicContact CE1-CD1 4.12Å; F379-F415 HydrophobicContact CE1-CD2 4.25Å; F379-F415 HydrophobicContact CE1-CE1 4.27Å; F379-F415 HydrophobicContact CE1-CE2 4.45Å; F379-F415 HydrophobicContact CE1-CG 4.1Å; F379-F415 HydrophobicContact CE1-CZ 4.43Å; F379-F415 HydrophobicContact CE2-CB 4.36Å; F379-F415 HydrophobicContact CZ-CB 3.73Å; F379-F415 AromaticContact CZ-CD1 3.78Å; F379-F415 HydrophobicContact CZ-CD1 3.78Å; F379-F415 HydrophobicContact CZ-CD2 4.05Å; F379-F415 HydrophobicContact CZ-CE1 4.38Å; F379-F415 AromaticContact CZ-CG 3.58Å; F379-F415 HydrophobicContact CZ-CG 3.58Å
380A59.8Low79.1Confident28 Ų2838.5 Ų38.523%0.23120%0.203CC..SBendtrans-156.6138.4176.300000112.8T377 W384T377-A380 PolarHBondContact OG1-N 3.38Å; T377-A380 PolarHBondContact OG1-O 2.96Å; A380-W384 HydrophobicContact CB-CH2 4.37Å; A380-W384 HydrophobicContact CB-CZ2 3.4Å; A380-W384 VanDerWaalsContact CB-CZ2 3.4Å; A380-W384 PolarHBondContact O-NE1 2.95Å
381S55Low79.3Confident74 Ų7443.9 Ų43.952%0.51723%0.226SC..SBendtrans-61.7164169.3560000112.6W384S381-W384 PolarHBondContact O-NE1 2.84Å
382G63.3Low79.1Confident21 Ų2147.5 Ų47.522%0.21625%0.25CC..SBendtrans91174.3-172.100000113D342D342-G382 VanDerWaalsContact OD2-CA 3.25Å; D342-G382 WeakPolarHBondContact OD2-CA 3.32Å; D342-G382 PolarHBondContact OD2-N 3.35Å
383Q74.1Confident79.4Confident24 Ų2447.9 Ų47.911%0.11226%0.256CS..EExtended strand (participates in β ladder)trans-85.8133.6168.6-77-79.6-34.400109.7D342 I344 M349 G375 V418D342-Q383 PolarHBondContact O-NE2 3.06Å; I344-Q383 PolarHBondContact O-NE2 2.95Å; M349-Q383 HydrophobicContact CE-CG 4.44Å; G375-Q383 VanDerWaalsContact CA-OE1 3.23Å; Q383-V418 HydrophobicContact CB-CG2 3.67Å
384W83.8Confident79.5Confident49 Ų4946.7 Ų46.719%0.18625%0.254CS..EExtended strand (participates in β ladder)trans-127.1138.8-179-69.878.2000110.1C374 G375 T377 F379 A380 S381 F415 A416 P417C374-W384 WeakPolarHBondContact CA-O 3.25Å; G375-W384 PolarHBondContact N-O 3.3Å; G375-W384 PolarHBondContact O-N 3.46Å; T377-W384 HydrophobicContact CG2-CB 3.84Å; T377-W384 HydrophobicContact CG2-CG 4.1Å; F379-W384 HydrophobicContact CE2-CD2 4.17Å; F379-W384 HydrophobicContact CE2-CE3 4.17Å; F379-W384 HydrophobicContact CE2-CZ3 4.34Å; F379-W384 HydrophobicContact CZ-CD2 4.46Å; F379-W384 HydrophobicContact CZ-CE3 4.44Å; A380-W384 HydrophobicContact CB-CH2 4.37Å; A380-W384 HydrophobicContact CB-CZ2 3.4Å; A380-W384 VanDerWaalsContact CB-CZ2 3.4Å; A380-W384 PolarHBondContact O-NE1 2.95Å; S381-W384 PolarHBondContact O-NE1 2.84Å; W384-F415 HydrophobicContact CE3-CB 3.93Å; W384-F415 HydrophobicContact CZ3-CB 4.43Å; W384-A416 CarbonylContact C-O 3.56Å; W384-A416 WeakPolarHBondContact CA-O 3.45Å; W384-P417 HydrophobicContact CH2-CG 4.18Å; W384-P417 HydrophobicContact CZ3-CG 4.19Å
385V87.9Confident79.9Confident0 Ų053.9 Ų53.90%028%0.283CS..EExtended strand (participates in β ladder)trans-93.2139.3164.4-71.10000110.4L350 L371 F373 C374 V387 F415 A416 V418 I421L350-V385 HydrophobicContact CD2-CG1 4.44Å; L371-V385 HydrophobicContact CD1-CB 3.65Å; L371-V385 HydrophobicContact CD1-CG1 3.71Å; F373-V385 CarbonylContact O-C 3.46Å; F373-V385 VanDerWaalsContact O-CA 3.27Å; F373-V385 WeakPolarHBondContact O-CA 3.28Å; C374-V385 HydrophobicContact CB-CG1 4.27Å; V385-V387 HydrophobicContact CG2-CG2 4.35Å; V385-F415 VanDerWaalsContact O-CA 3.29Å; V385-F415 WeakPolarHBondContact O-CA 3.27Å; V385-A416 HydrophobicContact CG2-CB 4.18Å; V385-A416 WeakPolarHBondContact CG2-O 3.42Å; V385-A416 PolarHBondContact N-O 2.76Å; V385-A416 PolarHBondContact O-N 3.05Å; V385-V418 HydrophobicContact CG1-CG2 4.15Å; V385-I421 HydrophobicContact CB-CD1 4.3Å; V385-I421 HydrophobicContact CG1-CD1 3.72Å; V385-I421 HydrophobicContact CG1-CG1 4.5Å; V385-I421 HydrophobicContact CG2-CD1 4.02Å; V385-I421 HydrophobicContact CG2-CG1 4.11Å; V385-I421 HydrophobicContact CG2-CG2 3.89Å
386G89.1Confident80.5Confident0 Ų054.6 Ų54.60%029%0.285CS..EExtended strand (participates in β ladder)trans-105.2120.116800000109.1R372 F373 F406 I414R372-G386 PolarHBondContact N-O 3.46Å; F373-G386 PolarHBondContact N-O 3.14Å; F373-G386 PolarHBondContact O-N 3.25Å; G386-F406 VanDerWaalsContact CA-CE1 3.43Å; G386-I414 WeakPolarHBondContact CA-O 3.36Å
387V92.5Very high81.3Confident0 Ų054.3 Ų54.30%028%0.282CS..EExtended strand (participates in β ladder)trans-115.9134.4-176.5-176.30000108.7V361 L371 V385 L389 I414 I421V361-V387 HydrophobicContact CG2-CG1 3.92Å; V361-V387 HydrophobicContact CG2-CG2 3.82Å; L371-V387 HydrophobicContact CD1-CG2 4.3Å; V385-V387 HydrophobicContact CG2-CG2 4.35Å; V387-L389 HydrophobicContact CG1-CD2 4.2Å; V387-I414 HydrophobicContact CB-CG2 3.97Å; V387-I414 PolarHBondContact N-O 3.26Å; V387-I414 PolarHBondContact O-N 2.85Å; V387-I421 HydrophobicContact CG2-CG2 4.48Å
388E92.1Very high81.5Confident30 Ų3053.5 Ų53.514%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-89.1105.3165.2175.5170.2-133.200107.8G369 T370 R372 F406 C408 P409 L412G369-E388 CarbonylContact C-O 3.52Å; G369-E388 WeakPolarHBondContact CA-O 3.27Å; T370-E388 PolarHBondContact N-O 3.2Å; T370-E388 PolarHBondContact O-N 3.08Å; R372-E388 HydrophobicContact CG-CB 3.69Å; R372-E388 IonicContact CZ-OE2 3.64Å; R372-E388 IonicContact NE-OE2 2.93Å; R372-E388 PolarHBondContact NE-OE2 3.08Å; R372-E388 IonicContact NH2-OE2 3.55Å; R372-E388 PolarHBondContact NH2-OE2 3.38Å; E388-F406 HydrophobicContact CB-CE2 4.44Å; E388-C408 HydrophobicContact CB-CB 4.07Å; E388-C408 HydrophobicContact CG-CB 3.7Å; E388-C408 WeakPolarHBondContact OE1-CA 3.46Å; E388-C408 WeakPolarHBondContact OE1-CB 3.18Å; E388-P409 WeakPolarHBondContact OE1-CD 3.4Å; E388-L412 HydrophobicContact CG-CB 4.23Å
389L91.8Very high81.7Confident5 Ų547.5 Ų47.53%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-67.8153.6177.4-62.3-178000111.5L363 K367 V387 L412 I414L363-L389 HydrophobicContact CD1-CD2 3.66Å; K367-L389 HydrophobicContact CB-CD2 3.92Å; K367-L389 HydrophobicContact CD-CD1 4.17Å; V387-L389 HydrophobicContact CG1-CD2 4.2Å; L389-L412 WeakPolarHBondContact CB-O 3.33Å; L389-L412 WeakPolarHBondContact CG-O 3.45Å; L389-L412 PolarHBondContact N-O 3Å; L389-L412 WeakPolarHBondContact O-CD2 3.43Å; L389-I414 HydrophobicContact CD1-CB 4.29Å; L389-I414 HydrophobicContact CD1-CG2 4.06Å; L389-I414 HydrophobicContact CD2-CG2 3.81Å; L389-I414 HydrophobicContact CG-CB 4.45Å; L389-I414 HydrophobicContact CG-CG2 3.81Å
390D89.9Confident82.3Confident84 Ų8445.8 Ų45.845%0.44925%0.248SC..SBendtrans-70.4-36.1173.7-58.7-39.2000112R360 T368R360-D390 IonicContact CZ-OD1 3.81Å; R360-D390 IonicContact CZ-OD2 3.19Å; R360-D390 IonicContact NH1-OD1 2.75Å; R360-D390 PolarHBondContact NH1-OD1 2.84Å; R360-D390 IonicContact NH1-OD2 2.77Å; R360-D390 IonicContact NH2-OD1 2.73Å; R360-D390 PolarHBondContact NH2-OD1 3.47Å; R360-D390 IonicContact NH2-OD2 2.73Å; R360-D390 PolarHBondContact NH2-OD2 2.89Å; T368-D390 PolarHBondContact O-N 3.42Å
391E89.9Confident82.9Confident137 Ų13748.8 Ų48.864%0.6428%0.282SS*.SBendtrans-111.2149.8-176.5-73.2-69.6170.300112.3E393 L412E391-E393 PolarHBondContact O-N 3.14Å; E391-L412 WeakPolarHBondContact O-CD2 3.42Å
392P87.2Confident83.9Confident76 Ų7648.9 Ų48.949%0.49430%0.295SS..THydrogen-bonded Turntrans-76.644.3-169.133.6-36000115.3K411 L412P392-K411 CarbonylContact C-O 3.5Å; P392-K411 VanDerWaalsContact CA-O 3.25Å; P392-K411 WeakPolarHBondContact CA-O 3.24Å; P392-K411 HydrophobicContact CB-CB 4.4Å; P392-L412 HydrophobicContact CB-CD2 4.12Å
393E87.6Confident83.8Confident121 Ų12150.1 Ų50.157%0.56530%0.298SS*.THydrogen-bonded Turntrans-97.6-1.4176.3-55.2-152147.500114.1K367 E391 K411K367-E393 WeakPolarHBondContact CE-OE2 3.27Å; K367-E393 IonicContact NZ-OE2 2.74Å; K367-E393 PolarHBondContact NZ-OE2 3.17Å; E391-E393 PolarHBondContact O-N 3.14Å; E393-K411 PolarHBondContact N-O 3Å
394G86.4Confident84Confident10 Ų1055.9 Ų55.910%0.10332%0.319CS..  trans-65162.4175.500000113K411 G413G394-K411 WeakPolarHBondContact CA-O 3.25Å; G394-K411 PolarHBondContact N-O 3.38Å; G394-K411 WeakPolarHBondContact O-CA 3.11Å; G394-G413 CarbonylContact C-O 3.17Å; G394-G413 WeakPolarHBondContact CA-O 3.34Å
395K87.5Confident83.6Confident166 Ų16655.6 Ų55.672%0.72232%0.318SS*.SBendtrans-102.1-9.2-171.7-63.4168.9-172.4162.20113G413 I414K395-G413 PolarHBondContact N-O 2.91Å; K395-I414 HydrophobicContact CD-CG1 4.48Å
396N87.9Confident83.4Confident24 Ų2456.3 Ų56.313%0.12832%0.321CS..BIsolated β-bridgetrans-154.2-170.4-175.159.777.7000113.1G398 S399 K411 G413 F415N396-G398 WeakPolarHBondContact OD1-CA 3.42Å; N396-G398 PolarHBondContact OD1-N 3.3Å; N396-S399 VanDerWaalsContact CB-O 3.24Å; N396-S399 WeakPolarHBondContact CB-O 3.14Å; N396-K411 WeakPolarHBondContact O-CA 3.45Å; N396-K411 PolarHBondContact O-N 3.03Å; N396-G413 VanDerWaalsContact CG-O 3.29Å; N396-G413 PolarHBondContact N-O 3.37Å; N396-G413 PolarHBondContact ND2-O 3.18Å; N396-G413 VanDerWaalsContact ND2-O 3.12Å; N396-G413 PolarHBondContact O-N 3.03Å; N396-G413 VanDerWaalsContact O-N 3.08Å; N396-G413 WeakPolarHBondContact OD1-CA 3.38Å; N396-G413 PolarHBondContact OD1-O 2.87Å; N396-F415 WeakPolarHBondContact ND2-CD2 3.41Å
397D86.8Confident82.9Confident39 Ų3962.5 Ų62.521%0.20935%0.353CS..SBendtrans-11420177.372.4-39.6000112.4S399 R404 C408D397-S399 VanDerWaalsContact OD1-CB 3.29Å; D397-S399 WeakPolarHBondContact OD1-CB 3.47Å; D397-S399 PolarHBondContact OD1-N 3.16Å; D397-S399 PolarHBondContact OD1-OG 2.75Å; D397-R404 IonicContact OD2-CZ 2.96Å; D397-R404 IonicContact OD2-NH2 2.68Å; D397-R404 PolarHBondContact OD2-NH2 2.98Å; D397-C408 PolarHBondContact O-N 3.13Å
398G78.4Confident82.4Confident0 Ų063 Ų630%036%0.356CS..SBendtrans88.71.7-166.300000114.4N396 Y405 F406 C408N396-G398 WeakPolarHBondContact OD1-CA 3.42Å; N396-G398 PolarHBondContact OD1-N 3.3Å; G398-Y405 PolarHBondContact O-N 2.89Å; G398-F406 CarbonylContact C-O 3.42Å; G398-F406 WeakPolarHBondContact CA-O 3.44Å; G398-F406 PolarHBondContact O-N 2.89Å; G398-C408 PolarHBondContact N-SG 3.39Å; G398-C408 VanDerWaalsContact N-SG 3.43Å
399S77.4Confident82Confident32 Ų3264.8 Ų64.822%0.22437%0.37CS..EExtended strand (participates in β ladder)trans-116.7146.6173.380.40000114.1N396 D397 V403N396-S399 VanDerWaalsContact CB-O 3.24Å; N396-S399 WeakPolarHBondContact CB-O 3.14Å; D397-S399 VanDerWaalsContact OD1-CB 3.29Å; D397-S399 WeakPolarHBondContact OD1-CB 3.47Å; D397-S399 PolarHBondContact OD1-N 3.16Å; D397-S399 PolarHBondContact OD1-OG 2.75Å; S399-V403 CarbonylContact C-O 3.47Å; S399-V403 WeakPolarHBondContact CA-O 3.45Å; S399-V403 VanDerWaalsContact CB-O 3.31Å; S399-V403 WeakPolarHBondContact CB-O 3.44Å
400V79.9Confident81.7Confident42 Ų4269.7 Ų69.726%0.25540%0.402SS..EExtended strand (participates in β ladder)trans-141.7134.8175.6-177.20000109.1F379 G402 V403 Y405 F415F379-V400 HydrophobicContact CB-CG1 3.85Å; F379-V400 HydrophobicContact CD1-CB 3.54Å; F379-V400 HydrophobicContact CD1-CG1 3.46Å; F379-V400 VanDerWaalsContact CD1-CG1 3.46Å; F379-V400 HydrophobicContact CD1-CG2 4.02Å; F379-V400 HydrophobicContact CE1-CB 3.85Å; F379-V400 HydrophobicContact CE1-CG1 4.11Å; F379-V400 HydrophobicContact CE1-CG2 3.82Å; F379-V400 HydrophobicContact CG-CB 4.3Å; F379-V400 HydrophobicContact CG-CG1 3.7Å; F379-V400 HydrophobicContact CZ-CG2 4.49Å; V400-G402 PolarHBondContact O-N 3.29Å; V400-G402 VanDerWaalsContact O-N 3.08Å; V400-V403 PolarHBondContact N-O 3.33Å; V400-V403 PolarHBondContact O-N 3.32Å; V400-V403 VanDerWaalsContact O-N 3.07Å; V400-Y405 HydrophobicContact CB-CE2 4.34Å; V400-F415 HydrophobicContact CG2-CD2 3.72Å; V400-F415 HydrophobicContact CG2-CE2 3.46Å; V400-F415 VanDerWaalsContact CG2-CE2 3.46Å; V400-F415 HydrophobicContact CG2-CZ 4.3Å
401G73.4Confident81.7Confident90 Ų9072 Ų7293%0.92841%0.409SS*.THydrogen-bonded Turntrans68.92.2178.700000115.6
402G74.3Confident81.6Confident77 Ų7766.9 Ų66.979%0.79439%0.385SS*.THydrogen-bonded Turntrans101.7-7.3-171.400000114V400V400-G402 PolarHBondContact O-N 3.29Å; V400-G402 VanDerWaalsContact O-N 3.08Å
403V61.8Low81.7Confident47 Ų4763.3 Ų63.329%0.28536%0.362SS..EExtended strand (participates in β ladder)trans-97.1136.7173.3177.40000109.6E378 S399 V400 Y405E378-V403 WeakPolarHBondContact OE2-CG2 3.36Å; S399-V403 CarbonylContact C-O 3.47Å; S399-V403 WeakPolarHBondContact CA-O 3.45Å; S399-V403 VanDerWaalsContact CB-O 3.31Å; S399-V403 WeakPolarHBondContact CB-O 3.44Å; V400-V403 PolarHBondContact N-O 3.33Å; V400-V403 PolarHBondContact O-N 3.32Å; V400-V403 VanDerWaalsContact O-N 3.07Å; V403-Y405 HydrophobicContact CB-CE2 4.12Å; V403-Y405 HydrophobicContact CG1-CE1 4.16Å; V403-Y405 HydrophobicContact CG1-CE2 3.96Å; V403-Y405 WeakPolarHBondContact O-CE2 3.46Å
404R77.7Confident81.9Confident144 Ų14457.9 Ų57.954%0.54334%0.337SS..EExtended strand (participates in β ladder)trans-105.3131.7-179.7178.7168.4-82133.32.2110.3D397 F406D397-R404 IonicContact OD2-CZ 2.96Å; D397-R404 IonicContact OD2-NH2 2.68Å; D397-R404 PolarHBondContact OD2-NH2 2.98Å; R404-F406 WeakPolarHBondContact CD-O 3.5Å; R404-F406 WeakPolarHBondContact CG-O 3.41Å
405Y77.1Confident82.1Confident43 Ų4358.5 Ų58.517%0.16934%0.337CS..SBendtrans-112.8-33.7-178.3-55.7-92.7000111.6F373 T377 E378 F379 G398 V400 V403 F415F373-Y405 HydrophobicContact CE1-CD1 4.23Å; F373-Y405 AromaticContact CE2-CD1 3.9Å; F373-Y405 HydrophobicContact CE2-CD1 3.9Å; F373-Y405 HydrophobicContact CE2-CG 4.43Å; F373-Y405 AromaticContact CZ-CD1 3.7Å; F373-Y405 HydrophobicContact CZ-CD1 3.7Å; F373-Y405 HydrophobicContact CZ-CG 4.42Å; T377-Y405 HydrophobicContact CG2-CD1 4.31Å; T377-Y405 HydrophobicContact CG2-CE1 4Å; E378-Y405 PolarHBondContact N-OH 3.02Å; F379-Y405 HydrophobicContact CD1-CE2 4.24Å; F379-Y405 HydrophobicContact CE1-CE2 4.13Å; G398-Y405 PolarHBondContact O-N 2.89Å; V400-Y405 HydrophobicContact CB-CE2 4.34Å; V403-Y405 HydrophobicContact CB-CE2 4.12Å; V403-Y405 HydrophobicContact CG1-CE1 4.16Å; V403-Y405 HydrophobicContact CG1-CE2 3.96Å; V403-Y405 WeakPolarHBondContact O-CE2 3.46Å; Y405-F415 HydrophobicContact CD2-CE1 4.08Å; Y405-F415 AromaticContact CD2-CZ 3.61Å; Y405-F415 HydrophobicContact CD2-CZ 3.61Å; Y405-F415 HydrophobicContact CE2-CZ 4.49Å; Y405-F415 HydrophobicContact CG-CE1 4.01Å; Y405-F415 AromaticContact CG-CZ 3.91Å; Y405-F415 HydrophobicContact CG-CZ 3.91Å
406F82.8Confident82.2Confident15 Ų1551 Ų517%0.06631%0.306CS..SBendtrans-146.7-17817062.8-81.7000110.3R372 F373 G386 E388 G398 R404 C408 F415R372-F406 HydrophobicContact CB-CB 3.77Å; R372-F406 HydrophobicContact CB-CD1 4.46Å; R372-F406 HydrophobicContact CB-CD2 3.51Å; R372-F406 HydrophobicContact CB-CE2 4.13Å; R372-F406 HydrophobicContact CB-CG 3.69Å; R372-F406 HydrophobicContact CG-CD2 3.98Å; R372-F406 HydrophobicContact CG-CE2 4.4Å; F373-F406 HydrophobicContact CB-CB 4.35Å; F373-F406 HydrophobicContact CB-CD1 3.85Å; F373-F406 HydrophobicContact CB-CG 4.45Å; G386-F406 VanDerWaalsContact CA-CE1 3.43Å; E388-F406 HydrophobicContact CB-CE2 4.44Å; G398-F406 CarbonylContact C-O 3.42Å; G398-F406 WeakPolarHBondContact CA-O 3.44Å; G398-F406 PolarHBondContact O-N 2.89Å; R404-F406 WeakPolarHBondContact CD-O 3.5Å; R404-F406 WeakPolarHBondContact CG-O 3.41Å; F406-C408 HydrophobicContact CD2-CB 4.29Å; F406-C408 HydrophobicContact CE2-CB 4.07Å; F406-C408 VanDerWaalsContact CE2-SG 3.55Å; F406-F415 HydrophobicContact CD1-CE1 4.27Å; F406-F415 AromaticContact CD1-CZ 3.91Å; F406-F415 HydrophobicContact CD1-CZ 3.91Å; F406-F415 AromaticContact CE1-CE1 3.86Å; F406-F415 HydrophobicContact CE1-CE1 3.86Å; F406-F415 AromaticContact CE1-CE2 3.84Å; F406-F415 HydrophobicContact CE1-CE2 3.84Å; F406-F415 AromaticContact CE1-CZ 3.46Å; F406-F415 HydrophobicContact CE1-CZ 3.46Å; F406-F415 VanDerWaalsContact CE1-CZ 3.46Å
407I77.8Confident81.9Confident131 Ų13152 Ų5267%0.67231%0.313SS*.  trans-122.2129.3175-63.8169.7000108.1
408C82.6Confident81.7Confident10 Ų1050.9 Ų50.97%0.06831%0.308CS..  trans-150.1165166.361.60000109.7E388 D397 G398 F406 L412 G413E388-C408 HydrophobicContact CB-CB 4.07Å; E388-C408 HydrophobicContact CG-CB 3.7Å; E388-C408 WeakPolarHBondContact OE1-CA 3.46Å; E388-C408 WeakPolarHBondContact OE1-CB 3.18Å; D397-C408 PolarHBondContact O-N 3.13Å; G398-C408 PolarHBondContact N-SG 3.39Å; G398-C408 VanDerWaalsContact N-SG 3.43Å; F406-C408 HydrophobicContact CD2-CB 4.29Å; F406-C408 HydrophobicContact CE2-CB 4.07Å; F406-C408 VanDerWaalsContact CE2-SG 3.55Å; C408-L412 HydrophobicContact CB-CB 4.4Å; C408-G413 WeakPolarHBondContact SG-CA 3.35Å; C408-G413 PolarHBondContact SG-N 2.9Å
409P84.9Confident81.8Confident68 Ų6856.1 Ų56.144%0.44235%0.345SS..  trans-55.8150.1171-26.534.3000113.3E388 K411 L412E388-P409 WeakPolarHBondContact OE1-CD 3.4Å; P409-K411 PolarHBondContact O-N 2.85Å; P409-L412 HydrophobicContact CB-CD1 3.78Å; P409-L412 HydrophobicContact CB-CG 4.23Å; P409-L412 HydrophobicContact CG-CD1 3.76Å; P409-L412 PolarHBondContact O-N 2.82Å
410P84.6Confident82.1Confident107 Ų10758.8 Ų58.870%0.69535%0.352SS*.THydrogen-bonded Turntrans-60128.4-178.1-23.734000112.4
411K89.3Confident82.4Confident134 Ų13458 Ų5858%0.58335%0.346SS*.THydrogen-bonded Turntrans74.215.5-172.4-45.4176.9179.9178.90115.9P392 E393 G394 N396 P409P392-K411 CarbonylContact C-O 3.5Å; P392-K411 VanDerWaalsContact CA-O 3.25Å; P392-K411 WeakPolarHBondContact CA-O 3.24Å; P392-K411 HydrophobicContact CB-CB 4.4Å; E393-K411 PolarHBondContact N-O 3Å; G394-K411 WeakPolarHBondContact CA-O 3.25Å; G394-K411 PolarHBondContact N-O 3.38Å; G394-K411 WeakPolarHBondContact O-CA 3.11Å; N396-K411 WeakPolarHBondContact O-CA 3.45Å; N396-K411 PolarHBondContact O-N 3.03Å; P409-K411 PolarHBondContact O-N 2.85Å
412L87.8Confident82.9Confident29 Ų2957 Ų5715%0.15233%0.325CS..THydrogen-bonded Turntrans-97.1-23.1162.9-61.2-179000111.9E388 L389 E391 P392 C408 P409E388-L412 HydrophobicContact CG-CB 4.23Å; L389-L412 WeakPolarHBondContact CB-O 3.33Å; L389-L412 WeakPolarHBondContact CG-O 3.45Å; L389-L412 PolarHBondContact N-O 3Å; L389-L412 WeakPolarHBondContact O-CD2 3.43Å; E391-L412 WeakPolarHBondContact O-CD2 3.42Å; P392-L412 HydrophobicContact CB-CD2 4.12Å; C408-L412 HydrophobicContact CB-CB 4.4Å; P409-L412 HydrophobicContact CB-CD1 3.78Å; P409-L412 HydrophobicContact CB-CG 4.23Å; P409-L412 HydrophobicContact CG-CD1 3.76Å; P409-L412 PolarHBondContact O-N 2.82Å
413G89.6Confident83.4Confident0 Ų059.9 Ų59.90%032%0.316CS..EExtended strand (participates in β ladder)trans-76.2129.4-17800000113.3G394 K395 N396 C408G394-G413 CarbonylContact C-O 3.17Å; G394-G413 WeakPolarHBondContact CA-O 3.34Å; K395-G413 PolarHBondContact N-O 2.91Å; N396-G413 VanDerWaalsContact CG-O 3.29Å; N396-G413 PolarHBondContact N-O 3.37Å; N396-G413 PolarHBondContact ND2-O 3.18Å; N396-G413 VanDerWaalsContact ND2-O 3.12Å; N396-G413 PolarHBondContact O-N 3.03Å; N396-G413 VanDerWaalsContact O-N 3.08Å; N396-G413 WeakPolarHBondContact OD1-CA 3.38Å; N396-G413 PolarHBondContact OD1-O 2.87Å; C408-G413 WeakPolarHBondContact SG-CA 3.35Å; C408-G413 PolarHBondContact SG-N 2.9Å
414I92.6Very high84.2Confident7 Ų758.4 Ų58.44%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-132.3149.4168.2-164.8165.7000110.3L363 G386 V387 L389 K395L363-I414 HydrophobicContact CD1-CG2 3.81Å; G386-I414 WeakPolarHBondContact CA-O 3.36Å; V387-I414 HydrophobicContact CB-CG2 3.97Å; V387-I414 PolarHBondContact N-O 3.26Å; V387-I414 PolarHBondContact O-N 2.85Å; L389-I414 HydrophobicContact CD1-CB 4.29Å; L389-I414 HydrophobicContact CD1-CG2 4.06Å; L389-I414 HydrophobicContact CD2-CG2 3.81Å; L389-I414 HydrophobicContact CG-CB 4.45Å; L389-I414 HydrophobicContact CG-CG2 3.81Å; K395-I414 HydrophobicContact CD-CG1 4.48Å
415F90.6Very high83.8Confident23 Ų2358.3 Ų58.310%0.10132%0.324CS..EExtended strand (participates in β ladder)trans-114.1135.5169.6-69.6-94.4000109.7F373 T377 F379 W384 V385 N396 V400 Y405 F406F373-F415 HydrophobicContact CD1-CE1 4.01Å; F373-F415 HydrophobicContact CE1-CE1 4.39Å; T377-F415 HydrophobicContact CG2-CD1 4.43Å; T377-F415 HydrophobicContact CG2-CE1 4.47Å; F379-F415 HydrophobicContact CE1-CD1 4.12Å; F379-F415 HydrophobicContact CE1-CD2 4.25Å; F379-F415 HydrophobicContact CE1-CE1 4.27Å; F379-F415 HydrophobicContact CE1-CE2 4.45Å; F379-F415 HydrophobicContact CE1-CG 4.1Å; F379-F415 HydrophobicContact CE1-CZ 4.43Å; F379-F415 HydrophobicContact CE2-CB 4.36Å; F379-F415 HydrophobicContact CZ-CB 3.73Å; F379-F415 AromaticContact CZ-CD1 3.78Å; F379-F415 HydrophobicContact CZ-CD1 3.78Å; F379-F415 HydrophobicContact CZ-CD2 4.05Å; F379-F415 HydrophobicContact CZ-CE1 4.38Å; F379-F415 AromaticContact CZ-CG 3.58Å; F379-F415 HydrophobicContact CZ-CG 3.58Å; W384-F415 HydrophobicContact CE3-CB 3.93Å; W384-F415 HydrophobicContact CZ3-CB 4.43Å; V385-F415 VanDerWaalsContact O-CA 3.29Å; V385-F415 WeakPolarHBondContact O-CA 3.27Å; N396-F415 WeakPolarHBondContact ND2-CD2 3.41Å; V400-F415 HydrophobicContact CG2-CD2 3.72Å; V400-F415 HydrophobicContact CG2-CE2 3.46Å; V400-F415 VanDerWaalsContact CG2-CE2 3.46Å; V400-F415 HydrophobicContact CG2-CZ 4.3Å; Y405-F415 HydrophobicContact CD2-CE1 4.08Å; Y405-F415 AromaticContact CD2-CZ 3.61Å; Y405-F415 HydrophobicContact CD2-CZ 3.61Å; Y405-F415 HydrophobicContact CE2-CZ 4.49Å; Y405-F415 HydrophobicContact CG-CE1 4.01Å; Y405-F415 AromaticContact CG-CZ 3.91Å; Y405-F415 HydrophobicContact CG-CZ 3.91Å; F406-F415 HydrophobicContact CD1-CE1 4.27Å; F406-F415 AromaticContact CD1-CZ 3.91Å; F406-F415 HydrophobicContact CD1-CZ 3.91Å; F406-F415 AromaticContact CE1-CE1 3.86Å; F406-F415 HydrophobicContact CE1-CE1 3.86Å; F406-F415 AromaticContact CE1-CE2 3.84Å; F406-F415 HydrophobicContact CE1-CE2 3.84Å; F406-F415 AromaticContact CE1-CZ 3.46Å; F406-F415 HydrophobicContact CE1-CZ 3.46Å; F406-F415 VanDerWaalsContact CE1-CZ 3.46Å
416A88.3Confident82.4Confident9 Ų961.8 Ų61.87%0.07435%0.345CS..EExtended strand (participates in β ladder)trans-134.6153.7174.900000110.6L363 W384 V385 K420L363-A416 HydrophobicContact CD2-CB 3.55Å; W384-A416 CarbonylContact C-O 3.56Å; W384-A416 WeakPolarHBondContact CA-O 3.45Å; V385-A416 HydrophobicContact CG2-CB 4.18Å; V385-A416 WeakPolarHBondContact CG2-O 3.42Å; V385-A416 PolarHBondContact N-O 2.76Å; V385-A416 PolarHBondContact O-N 3.05Å; A416-K420 HydrophobicContact CB-CB 4.34Å
417P83.3Confident80.3Confident44 Ų4466.6 Ų66.629%0.28638%0.378SS..EExtended strand (participates in β ladder)trans-58.9146.4164.2-19.132.2000110.5W384 S419 K420W384-P417 HydrophobicContact CH2-CG 4.18Å; W384-P417 HydrophobicContact CZ3-CG 4.19Å; P417-S419 PolarHBondContact O-N 2.79Å; P417-S419 VanDerWaalsContact O-N 3.1Å; P417-K420 HydrophobicContact CG-CD 4.42Å; P417-K420 WeakPolarHBondContact O-CB 3.48Å; P417-K420 PolarHBondContact O-N 3.2Å
418V81.3Confident78Confident17 Ų1766.5 Ų66.510%0.10338%0.383CS..G310 helixtrans-54.2-33.3-180-1770000112.6M349 L353 Q383 V385 K420 I421M349-V418 HydrophobicContact CG-CG1 4.2Å; M349-V418 HydrophobicContact CG-CG2 4.34Å; L353-V418 HydrophobicContact CD1-CG1 3.26Å; Q383-V418 HydrophobicContact CB-CG2 3.67Å; V385-V418 HydrophobicContact CG1-CG2 4.15Å; V418-K420 PolarHBondContact O-N 3.38Å; V418-I421 VanDerWaalsContact O-CG1 3.28Å; V418-I421 WeakPolarHBondContact O-CG1 3.48Å
419S80.2Confident75.9Confident110 Ų11072.4 Ų72.477%0.76942%0.422SS*.G310 helixtrans-76.121.5178.375.50000114.9P417P417-S419 PolarHBondContact O-N 2.79Å; P417-S419 VanDerWaalsContact O-N 3.1Å
420K83.4Confident73.3Confident87 Ų8774.8 Ų74.838%0.37844%0.44SS..G310 helixtrans-13015.1178.9-67.2-159.8167.1-83.40113L363 D364 A416 P417 V418L363-K420 WeakPolarHBondContact CA-O 3.13Å; D364-K420 PolarHBondContact N-O 3.45Å; D364-K420 VanDerWaalsContact OD1-CA 3.32Å; D364-K420 WeakPolarHBondContact OD1-CA 3.37Å; D364-K420 WeakPolarHBondContact OD2-CD 3.42Å; D364-K420 VanDerWaalsContact OD2-CG 3.32Å; D364-K420 WeakPolarHBondContact OD2-CG 3.41Å; D364-K420 IonicContact OD2-NZ 3.07Å; D364-K420 PolarHBondContact OD2-NZ 3.24Å; A416-K420 HydrophobicContact CB-CB 4.34Å; P417-K420 HydrophobicContact CG-CD 4.42Å; P417-K420 WeakPolarHBondContact O-CB 3.48Å; P417-K420 PolarHBondContact O-N 3.2Å; V418-K420 PolarHBondContact O-N 3.38Å
421I86.4Confident70.8Confident25 Ų2575 Ų7513%0.12844%0.444CS..EExtended strand (participates in β ladder)trans-125.3145.6173.351.8155.9000110.8L355 V361 V362 L363 V385 V387 V418L355-I421 HydrophobicContact CD1-CD1 3.76Å; V361-I421 HydrophobicContact CB-CB 4.25Å; V361-I421 HydrophobicContact CB-CG2 4.3Å; V361-I421 HydrophobicContact CG1-CD1 4.18Å; V361-I421 HydrophobicContact CG2-CG2 4.23Å; V362-I421 VanDerWaalsContact O-CA 3.3Å; V362-I421 WeakPolarHBondContact O-CA 3.01Å; L363-I421 HydrophobicContact CD2-CG2 3.56Å; L363-I421 HydrophobicContact CG-CG2 4.13Å; V385-I421 HydrophobicContact CB-CD1 4.3Å; V385-I421 HydrophobicContact CG1-CD1 3.72Å; V385-I421 HydrophobicContact CG1-CG1 4.5Å; V385-I421 HydrophobicContact CG2-CD1 4.02Å; V385-I421 HydrophobicContact CG2-CG1 4.11Å; V385-I421 HydrophobicContact CG2-CG2 3.89Å; V387-I421 HydrophobicContact CG2-CG2 4.48Å; V418-I421 VanDerWaalsContact O-CG1 3.28Å; V418-I421 WeakPolarHBondContact O-CG1 3.48Å
422S85.1Confident68Low69 Ų6975.4 Ų75.448%0.48346%0.458SS..EExtended strand (participates in β ladder)trans-123.8157164.161.40000109.8V361 V362V361-S422 CarbonylContact C-O 3.1Å; V361-S422 VanDerWaalsContact CA-O 3.27Å; V361-S422 WeakPolarHBondContact CA-O 3.47Å; V362-S422 PolarHBondContact N-O 3.1Å; V362-S422 PolarHBondContact O-N 3.49Å
423K84.9Confident65.3Low138 Ų13880.1 Ų80.160%0.649%0.488SS*.EExtended strand (participates in β ladder)trans-57.1138.2167.4-164.9174.3177.7-175.50108.7L355L355-K423 HydrophobicContact CD2-CB 3.82Å; L355-K423 HydrophobicContact CD2-CD 4.48Å; L355-K423 HydrophobicContact CD2-CG 4Å
424A78.5Confident62.4Low16 Ų1685.6 Ų85.613%0.13253%0.526CS..PPolyproline II helixtrans-78.5139.8169.600000109.5R360 V362R360-A424 HydrophobicContact CB-CB 3.75Å; R360-A424 WeakPolarHBondContact O-CB 3.26Å; R360-A424 PolarHBondContact O-N 3.07Å; V362-A424 HydrophobicContact CG2-CB 3.93Å
425V69.6Low59.4Low142 Ų14291.3 Ų91.386%0.86156%0.561SS**PPolyproline II helixtrans-89.6120164.4-177.90000106.6P427V425-P427 WeakPolarHBondContact O-CD 3.46Å
426D48Very low56.9Low117 Ų11794.5 Ų94.563%0.62658%0.584SS**PPolyproline II helixtrans-81124.3-173.3-83.2-38.6000111.8
427P37.2Very low53.9Low115 Ų115104.9 Ų104.975%0.74762%0.622SS**PPolyproline II helixtrans-75141.1165.631.3-32.2000110.4V425V425-P427 WeakPolarHBondContact O-CD 3.46Å
428T30.1Very low51.7Low129 Ų129109.1 Ų109.179%0.79165%0.647SS**PPolyproline II helixtrans-55.8144.8-168.250.90000115.1S430T428-S430 PolarHBondContact O-N 3.34Å
429P39Very low49.2Very low134 Ų134114.3 Ų114.387%0.8768%0.681SS**PPolyproline II helixtrans-72.8123.3-163.327.2-35.7000113.9
430S29.1Very low46.8Very low119 Ų119119.8 Ų119.883%0.83268%0.684SS**  trans-99.9108.9172.7-72.10000112T428T428-S430 PolarHBondContact O-N 3.34Å
431S33.1Very low44.2Very low110 Ų110124.6 Ų124.677%0.76971%0.711SS**  trans-65.6131.1179.2175.50000113.8
432V31Very low41.5Very low144 Ų144130.2 Ų130.287%0.87374%0.741SS**  trans-150.8112.1150.4-106.90000113.1
433T30.9Very low38.8Very low128 Ų128135.1 Ų135.179%0.78576%0.761SS**  trans-54.1135.1172.7-590000115.1
434S27.8Very low36.1Very low115 Ų115132.4 Ų132.480%0.80476%0.764SS**  trans-166.5116.5132.7400000115.7
435T30.4Very low33.8Very low126 Ų126136.3 Ų136.377%0.77379%0.791SS**  trans-85.8-177.4148.265.80000108.2
436P36.9Very low32Very low90 Ų90140.6 Ų140.658%0.58479%0.791SS**  cis-140.21791.829.7-5.5000115.9
437R26.3Very low31.1Very low228 Ų228142.1 Ų142.186%0.8680%0.799SS**  150.3127.1121-79.9167.9-150.6-85.6-3.2113.7
438T35.7Very low30.7Very low132 Ų132141.3 Ų141.381%0.8180%0.802SS**  trans-76.3166.3156.5550000111
439P28.8Very low30.5Very low126 Ų126138.7 Ų138.782%0.81880%0.801SS**  -136.2137.2125.135.1-24.7000114.2
440R30.2Very low30Very low225 Ų225141.5 Ų141.585%0.84980%0.799SS**  trans-64.9151.2162.3-76.5175.3154.6117.6-6111
441M29.3Very low29.8Very low189 Ų189142.1 Ų142.193%0.93180%0.798SS**  trans-145109.7137.3-73.4-151.479.500111.5
442D29.6Very low29.5Very low142 Ų142145 Ų14576%0.75980%0.797SS**  trans-85.9147155.6-95.9-64.9000109.6
443L28.7Very low29.2Very low172 Ų172145.5 Ų145.590%0.90179%0.787SS**  -172.2133.8122.5-170.456.6000111.5
444A28Very low29Very low82 Ų82145 Ų14568%0.67878%0.776SS**  trans-81.1166.8179.900000114.1
445S30.2Very low28.9Very low98 Ų98147.3 Ų147.369%0.68577%0.772SS**  172.9140.7107.452.50000116.2
446R31.2Very low28.6Very low231 Ų231148.1 Ų148.187%0.87276%0.764SS**  trans69.3151.7143.6-71.6167.1-171.9-173.62117.3
447L29.5Very low28Very low150 Ų150150.4 Ų150.479%0.78577%0.767SS**  cis-158.8142.713.1-129.8162.7000112.5
448A27.9Very low27.9Very low97 Ų97146.3 Ų146.380%0.80276%0.756SS**  trans47.3138.1152.200000123.5
449G26.3Very low27.5Very low75 Ų75145.5 Ų145.577%0.77374%0.743SS**  trans-157.3-9.8177.300000124
450K28.2Very low27.3Very low192 Ų192147 Ų14784%0.83574%0.736SS**  trans57.6117.2168.6-68.6178.5177.1174.50121.3
451T26Very low27Very low132 Ų132140 Ų14081%0.8173%0.727SS**  trans70.5161.2139.270.80000117.9
452K26.8Very low26.8Very low172 Ų172139.6 Ų139.675%0.74872%0.723SS**  cis-164.8143.217.8-152.3177.8-178.2179.40112
453K25.4Very low26.6Very low153 Ų153142.2 Ų142.267%0.66573%0.727SS**  trans53.8157145.7-86.4-166.4175.3-104.80120.8
454E26Very low26.4Very low117 Ų117143.8 Ų143.855%0.54773%0.727SS.*  cis-170.9152.7-25.4-133.4174.9-126.700110
455K25.3Very low26.3Very low165 Ų165149.5 Ų149.572%0.71774%0.736SS**  trans68.2135.5158.7-69.5179.3177.1-178.70118.1
456K24.5Very low26Very low142 Ų142151 Ų15162%0.61774%0.742SS**  cis77.2124.439.5-154.3-147.1179.4-154.10109.3
457E25Very low25.8Very low138 Ų138144.9 Ų144.965%0.64573%0.734SS**  -152.5142.363.4-93.1178.4162.900112.5
458K24.1Very low25.5Very low143 Ų143144.6 Ų144.662%0.62274%0.739SS**  60.4147.787.4-67.3-168163.5-1330114
459E26.2Very low25.4Very low115 Ų115144 Ų14454%0.53773%0.733SS.*  cis-165.9170.5-6.5-105.2177.5-167.500106.2
460K24.2Very low25.5Very low156 Ų156145.4 Ų145.468%0.67873%0.732SS**  cis-152.6163.15.4-120.8162.9-178.5141.40107.6
461A24Very low25.6Very low80 Ų80144.6 Ų144.666%0.66174%0.735SS**  4214987.200000116.7
462Q25.8Very low25.8Very low180 Ų180145.1 Ų145.184%0.84173%0.733SS**  cis-157.6163.717.8-158.5161.8-1100114.2
463K25.5Very low26.3Very low197 Ų197142.5 Ų142.586%0.85773%0.734SS**  trans-52.2152.7176.5-58.1166.9177.9172.80115
464K23.8Very low26.8Very low204 Ų204144.4 Ų144.489%0.88775%0.745SS**  trans-153.1137.1137.4-116.1177.6-174.5-177.80112.7
465K27.6Very low27.9Very low202 Ų202142 Ų14288%0.87875%0.751SS**  trans-109.3142.9166.8-65.9-179.4176.1-177.40108.1
466T23.8Very low29.2Very low130 Ų130137 Ų13780%0.79874%0.735SS**  trans-168.3128.6153.222.40000112.6
467S25.8Very low31Very low102 Ų102136.5 Ų136.571%0.71374%0.739SS**  trans37.5111.8146.760.10000122.3
468V23.9Very low33.2Very low145 Ų145130.5 Ų130.588%0.87971%0.712SS**  27.6112.9121.3-171.10000118.3
469A25.3Very low35.7Very low83 Ų83129.6 Ų129.669%0.68671%0.71SS**  -179.3136.4111.400000113
470S29.6Very low38.4Very low106 Ų106128.4 Ų128.474%0.74171%0.71SS**  trans29.4121.4151.860.20000121.4
471L28.8Very low41.2Very low175 Ų175122.8 Ų122.892%0.91670%0.697SS**  -155.5120.4124.8-105.1179.3000109.5
472D31.3Very low44.1Very low143 Ų143119.1 Ų119.177%0.76567%0.666SS**  trans-82.6161.8176.5-56.3-51.1000111.9
473P36Very low46.9Very low117 Ų117114.7 Ų114.776%0.7665%0.645SS**SBend-119.9155.4125.334.1-28.8000112.4
474E36.7Very low49.9Very low193 Ų193105.3 Ų105.390%0.90261%0.605SS**SBendtrans82.827.4168.5-58.2177.1-175.100119
475G49.5Very low52.9Low66 Ų6697.3 Ų97.368%0.6857%0.571SS**  54.880.7120.500000119.7
476T52.8Low55.5Low61 Ų6188.2 Ų88.237%0.37453%0.532SS..  trans-141.1102.4145.3-32.50000109.7V478T476-V478 VanDerWaalsContact C-N 3.34Å; T476-V478 HydrophobicContact CG2-CG2 3.77Å; T476-V478 PolarHBondContact O-N 3.35Å
477N61.6Low58Low130 Ų13085.2 Ų85.270%0.69552%0.521SS*.  trans-82.979.3-172.5-160.3-12.4000109.9R546N477-R546 VanDerWaalsContact O-CD 3.29Å; N477-R546 WeakPolarHBondContact O-CD 3.46Å; N477-R546 PolarHBondContact O-NH1 2.89Å
478V71.6Confident60.2Low13 Ų1382.4 Ų82.48%0.07951%0.508CS..  trans-126.9127.2-171.3170.80000109.9T476 D482 V484 V494 F508 R546T476-V478 VanDerWaalsContact C-N 3.34Å; T476-V478 HydrophobicContact CG2-CG2 3.77Å; T476-V478 PolarHBondContact O-N 3.35Å; V478-D482 WeakPolarHBondContact CA-OD2 3.43Å; V478-D482 HydrophobicContact CG1-CB 4.31Å; V478-V484 HydrophobicContact CG1-CG1 3.85Å; V478-V484 HydrophobicContact CG2-CG1 4.46Å; V478-V494 HydrophobicContact CG1-CG2 3.79Å; V478-F508 HydrophobicContact CB-CE1 4.03Å; V478-F508 HydrophobicContact CB-CZ 3.87Å; V478-F508 HydrophobicContact CG1-CD1 4.18Å; V478-F508 HydrophobicContact CG1-CE1 3.56Å; V478-F508 HydrophobicContact CG1-CZ 3.86Å; V478-R546 HydrophobicContact CG2-CB 3.83Å; V478-R546 HydrophobicContact CG2-CG 4.29Å
479E77.1Confident62.8Low124 Ų12483.8 Ų83.858%0.57951%0.505SS*.  trans-114.5162.4-177.3-63.5178.613900111.6G481 D482E479-G481 PolarHBondContact O-N 3.34Å; E479-D482 PolarHBondContact N-OD2 2.84Å; E479-D482 WeakPolarHBondContact O-CB 3.04Å; E479-D482 PolarHBondContact O-N 2.94Å; E479-D482 VanDerWaalsContact O-N 3.11Å
480V82.6Confident65.5Low89 Ų8983.7 Ų83.754%0.53949%0.489SS..THydrogen-bonded Turntrans-67.8121.2175.8-179.70000109.2V494V480-V494 HydrophobicContact CB-CG1 4.48Å; V480-V494 HydrophobicContact CG2-CG1 4.18Å
481G81.4Confident68.3Low39 Ų3981.7 Ų81.740%0.40247%0.47SS..THydrogen-bonded Turntrans109.9-11.8-170.600000114.6E479 V494E479-G481 PolarHBondContact O-N 3.34Å; G481-V494 PolarHBondContact N-O 3Å
482D85.6Confident71.2Confident3 Ų373.4 Ų73.42%0.01643%0.426CS..  trans-69.9147.9175.1-83.5-36.1000113.4V478 E479 V484 I493 V494 R546 G549V478-D482 WeakPolarHBondContact CA-OD2 3.43Å; V478-D482 HydrophobicContact CG1-CB 4.31Å; E479-D482 PolarHBondContact N-OD2 2.84Å; E479-D482 WeakPolarHBondContact O-CB 3.04Å; E479-D482 PolarHBondContact O-N 2.94Å; E479-D482 VanDerWaalsContact O-N 3.11Å; D482-V484 HydrophobicContact CB-CG1 4.33Å; D482-I493 WeakPolarHBondContact O-CA 3.42Å; D482-V494 PolarHBondContact O-N 3.38Å; D482-R546 HydrophobicContact CB-CG 4.46Å; D482-R546 VanDerWaalsContact CG-CZ 3.4Å; D482-R546 VanDerWaalsContact CG-NH2 3.26Å; D482-R546 IonicContact OD1-CZ 2.65Å; D482-R546 IonicContact OD1-NE 3.86Å; D482-R546 PolarHBondContact OD1-NE 3.44Å; D482-R546 IonicContact OD1-NH2 3.94Å; D482-R546 PolarHBondContact OD1-NH2 3Å; D482-R546 IonicContact OD2-CZ 2.73Å; D482-R546 IonicContact OD2-NE 3.45Å; D482-R546 PolarHBondContact OD2-NE 2.89Å; D482-R546 IonicContact OD2-NH1 3.6Å; D482-R546 IonicContact OD2-NH2 3.59Å; D482-R546 PolarHBondContact OD2-NH2 3.05Å; D482-G549 WeakPolarHBondContact OD1-CA 3.5Å
483Q84.9Confident73.9Confident87 Ų8768.5 Ų68.541%0.40740%0.4SS..EExtended strand (participates in β ladder)trans-82.8127.2165.7-80.9-173.9-31.200110.3G492 I493 I547 G548Q483-G492 WeakPolarHBondContact CA-O 3.47Å; Q483-I493 HydrophobicContact CG-CG1 4.07Å; Q483-I547 PolarHBondContact O-N 3.22Å; Q483-G548 PolarHBondContact N-O 3.43Å; Q483-G548 PolarHBondContact O-N 2.94Å; Q483-G548 VanDerWaalsContact O-N 3.16Å
484V88.8Confident76.6Confident0 Ų062.9 Ų62.90%036%0.364CS..EExtended strand (participates in β ladder)trans-134.6153.3-172.5-65.70000112.7V478 D482 V486 G492 V494 V510 V544 Q545V478-V484 HydrophobicContact CG1-CG1 3.85Å; V478-V484 HydrophobicContact CG2-CG1 4.46Å; D482-V484 HydrophobicContact CB-CG1 4.33Å; V484-V486 HydrophobicContact CG2-CG2 4.49Å; V484-G492 PolarHBondContact N-O 2.86Å; V484-G492 PolarHBondContact O-N 2.8Å; V484-G492 VanDerWaalsContact O-N 3.09Å; V484-V494 HydrophobicContact CB-CG2 4.33Å; V484-V494 HydrophobicContact CG1-CG2 3.62Å; V484-V494 HydrophobicContact CG2-CG2 3.7Å; V484-V510 HydrophobicContact CG2-CG1 3.83Å; V484-V510 HydrophobicContact CG2-CG2 3.92Å; V484-V544 HydrophobicContact CB-CG1 3.72Å; V484-V544 HydrophobicContact CG1-CG1 3.71Å; V484-V544 HydrophobicContact CG2-CG1 4.03Å; V484-Q545 CarbonylContact C-O 3.6Å; V484-Q545 WeakPolarHBondContact CA-O 3.49Å
485L86.3Confident78.9Confident35 Ų3559.1 Ų59.118%0.18334%0.341CS..EExtended strand (participates in β ladder)trans-101.4115168.9-162.261.8000109.4Q545 I547L485-Q545 HydrophobicContact CB-CB 4.41Å; L485-Q545 PolarHBondContact N-O 3.33Å; L485-Q545 PolarHBondContact O-N 2.73Å; L485-I547 HydrophobicContact CB-CD1 3.74Å; L485-I547 HydrophobicContact CB-CG1 4.13Å; L485-I547 HydrophobicContact CD1-CD1 4.13Å; L485-I547 HydrophobicContact CD2-CD1 4.41Å; L485-I547 HydrophobicContact CG-CD1 4.31Å
486V82.4Confident80.7Confident11 Ų1157.9 Ų57.97%0.06732%0.317CS..EExtended strand (participates in β ladder)trans-88126.4174.1-178.90000109.3V484 G488 Q489 K490 V510 L512 V537 A539 R543V484-V486 HydrophobicContact CG2-CG2 4.49Å; V486-G488 PolarHBondContact O-N 3.19Å; V486-G488 VanDerWaalsContact O-N 3.1Å; V486-Q489 PolarHBondContact O-N 2.85Å; V486-K490 HydrophobicContact CB-CB 4.37Å; V486-K490 PolarHBondContact N-O 3.44Å; V486-K490 PolarHBondContact O-N 3.38Å; V486-V510 HydrophobicContact CG2-CB 4.09Å; V486-V510 HydrophobicContact CG2-CG1 4Å; V486-V510 HydrophobicContact CG2-CG2 3.87Å; V486-L512 HydrophobicContact CG2-CD2 4.39Å; V486-V537 HydrophobicContact CG1-CG1 4.37Å; V486-V537 HydrophobicContact CG2-CG1 4.32Å; V486-A539 HydrophobicContact CG1-CB 3.73Å; V486-R543 WeakPolarHBondContact CA-O 3.43Å
487A75.8Confident82.2Confident68 Ų6860.2 Ų60.256%0.56232%0.32SS*.THydrogen-bonded Turntrans50.930.9179.100000114.7Q489 R543A487-Q489 PolarHBondContact O-N 2.74Å; A487-R543 PolarHBondContact N-O 3.24Å
488G72.8Confident82.9Confident43 Ų4354.5 Ų54.544%0.44329%0.292SS..THydrogen-bonded Turntrans71.86.6177.500000115.8V486V486-G488 PolarHBondContact O-N 3.19Å; V486-G488 VanDerWaalsContact O-N 3.1Å
489Q76.9Confident82.9Confident174 Ų17461.4 Ų61.481%0.81332%0.321SS*.THydrogen-bonded Turntrans-139.4-27.6-173.3-66.8-174.6-9.400115.4V486 A487V486-Q489 PolarHBondContact O-N 2.85Å; A487-Q489 PolarHBondContact O-N 2.74Å
490K83.8Confident82.7Confident80 Ų8056 Ų5635%0.34830%0.296SS..EExtended strand (participates in β ladder)trans-111.4115.7-172.5-61.4-167.9175.5-159.60111.2V486 L512 T516V486-K490 HydrophobicContact CB-CB 4.37Å; V486-K490 PolarHBondContact N-O 3.44Å; V486-K490 PolarHBondContact O-N 3.38Å; K490-L512 HydrophobicContact CB-CD1 4.34Å; K490-L512 HydrophobicContact CB-CD2 3.87Å; K490-L512 HydrophobicContact CD-CD1 3.88Å; K490-T516 WeakPolarHBondContact CE-OG1 3.36Å; K490-T516 PolarHBondContact NZ-O 3.15Å; K490-T516 PolarHBondContact NZ-OG1 2.96Å
491L87.5Confident81.7Confident65 Ų6557.6 Ų57.634%0.3430%0.302SS..EExtended strand (participates in β ladder)trans-86.4143.4179.5-147.2144.7000110.7L512 D513 I547L491-L512 WeakPolarHBondContact O-CA 3.39Å; L491-D513 WeakPolarHBondContact CD2-OD2 3.29Å; L491-D513 PolarHBondContact O-N 3.05Å; L491-D513 VanDerWaalsContact O-N 3.07Å; L491-I547 HydrophobicContact CD1-CD1 3.57Å; L491-I547 HydrophobicContact CG-CD1 4.04Å
492G89.7Confident80.7Confident0 Ų058.3 Ų58.30%029%0.294CS..EExtended strand (participates in β ladder)trans-175.6-176.4178.200000113.3Q483 V484 E511Q483-G492 WeakPolarHBondContact CA-O 3.47Å; V484-G492 PolarHBondContact N-O 2.86Å; V484-G492 PolarHBondContact O-N 2.8Å; V484-G492 VanDerWaalsContact O-N 3.09Å; G492-E511 CarbonylContact C-O 3.59Å; G492-E511 WeakPolarHBondContact CA-O 3.43Å
493I88.9Confident79Confident40 Ų4059.1 Ų59.121%0.20530%0.301CS..EExtended strand (participates in β ladder)trans-113.2133.1-177.9-59.5172.5000109.8D482 Q483 R495 V510 E511D482-I493 WeakPolarHBondContact O-CA 3.42Å; Q483-I493 HydrophobicContact CG-CG1 4.07Å; I493-R495 PolarHBondContact O-N 3.16Å; I493-V510 WeakPolarHBondContact O-CA 3.25Å; I493-E511 PolarHBondContact N-O 3.08Å; I493-E511 PolarHBondContact O-N 2.98Å
494V91.6Very high77.4Confident0 Ų060.9 Ų60.90%032%0.32CS..EExtended strand (participates in β ladder)trans-66.4122.2173.3-178.70000109.6V478 V480 G481 D482 V484 F496 F508 V510V478-V494 HydrophobicContact CG1-CG2 3.79Å; V480-V494 HydrophobicContact CB-CG1 4.48Å; V480-V494 HydrophobicContact CG2-CG1 4.18Å; G481-V494 PolarHBondContact N-O 3Å; D482-V494 PolarHBondContact O-N 3.38Å; V484-V494 HydrophobicContact CB-CG2 4.33Å; V484-V494 HydrophobicContact CG1-CG2 3.62Å; V484-V494 HydrophobicContact CG2-CG2 3.7Å; V494-F496 WeakPolarHBondContact CG1-O 3.41Å; V494-F508 HydrophobicContact CG1-CD1 3.74Å; V494-F508 HydrophobicContact CG1-CE1 4.41Å; V494-F508 HydrophobicContact CG2-CD1 4.2Å; V494-V510 HydrophobicContact CG2-CG2 4.42Å
495R85.3Confident76.4Confident113 Ų11363.1 Ų63.143%0.42634%0.343SS..EExtended strand (participates in β ladder)trans-110.6-17.7175.5-63.5-54.7-163.8-174.93.2113.7I493 G509 E511 F529I493-R495 PolarHBondContact O-N 3.16Å; R495-G509 PolarHBondContact N-O 3.43Å; R495-E511 HydrophobicContact CG-CB 3.66Å; R495-E511 IonicContact CZ-OE2 2.73Å; R495-E511 IonicContact NE-OE2 3.68Å; R495-E511 PolarHBondContact NE-OE2 3.1Å; R495-E511 IonicContact NH2-OE2 2.92Å; R495-E511 PolarHBondContact NH2-OE2 3.19Å; R495-F529 HydrophobicContact CB-CB 3.77Å; R495-F529 HydrophobicContact CB-CD2 3.55Å; R495-F529 HydrophobicContact CB-CE2 4.21Å; R495-F529 HydrophobicContact CB-CG 3.76Å; R495-F529 HydrophobicContact CG-CD2 4Å; R495-F529 HydrophobicContact CG-CE2 4.47Å
496F87.3Confident75.9Confident41 Ų4166.3 Ų66.318%0.1836%0.356CS..EExtended strand (participates in β ladder)trans-146.8143.1179.2175.9-87.1000110.2V494 K499 T500 F508 G509 Y528 F529 F538V494-F496 WeakPolarHBondContact CG1-O 3.41Å; F496-K499 WeakPolarHBondContact CZ-O 3.43Å; F496-T500 HydrophobicContact CE1-CG2 3.8Å; F496-T500 HydrophobicContact CZ-CG2 4.33Å; F496-F508 CarbonylContact O-C 3.54Å; F496-F508 WeakPolarHBondContact O-CA 3.43Å; F496-G509 PolarHBondContact N-O 3.12Å; F496-G509 PolarHBondContact O-N 2.84Å; F496-Y528 WeakPolarHBondContact CD2-O 3.12Å; F496-Y528 HydrophobicContact CE1-CD1 4.3Å; F496-Y528 AromaticContact CE2-CD1 3.92Å; F496-Y528 HydrophobicContact CE2-CD1 3.92Å; F496-Y528 HydrophobicContact CE2-CG 4.48Å; F496-Y528 AromaticContact CZ-CD1 3.75Å; F496-Y528 HydrophobicContact CZ-CD1 3.75Å; F496-F529 HydrophobicContact CB-CB 4.37Å; F496-F529 HydrophobicContact CB-CD1 3.93Å; F496-F529 HydrophobicContact CB-CG 4.48Å; F496-F538 AromaticContact CD1-CE1 3.78Å; F496-F538 HydrophobicContact CD1-CE1 3.78Å; F496-F538 HydrophobicContact CE1-CE1 4.2Å; F496-F538 HydrophobicContact CG-CE1 4.5Å
497Y85.3Confident76Confident109 Ų10968.3 Ų68.343%0.42736%0.362SS..EExtended strand (participates in β ladder)trans-140.8124.4164175.7-114.8000108.8F506 W507 F508Y497-F506 HydrophobicContact CE1-CD1 4.2Å; Y497-F506 HydrophobicContact CE2-CB 3.82Å; Y497-F506 HydrophobicContact CE2-CD1 4.28Å; Y497-F506 HydrophobicContact CE2-CG 4.44Å; Y497-F506 AromaticContact CZ-CD1 3.9Å; Y497-W507 WeakPolarHBondContact CA-O 3.48Å; Y497-F508 AromaticContact CD2-CD1 3.49Å; Y497-F508 HydrophobicContact CD2-CD1 3.49Å; Y497-F508 VanDerWaalsContact CD2-CD1 3.49Å; Y497-F508 HydrophobicContact CD2-CD2 4.17Å; Y497-F508 AromaticContact CD2-CE1 3.26Å; Y497-F508 HydrophobicContact CD2-CE1 3.26Å; Y497-F508 AromaticContact CD2-CE2 3.98Å; Y497-F508 HydrophobicContact CD2-CE2 3.98Å; Y497-F508 AromaticContact CD2-CG 3.95Å; Y497-F508 HydrophobicContact CD2-CG 3.95Å; Y497-F508 AromaticContact CD2-CZ 3.53Å; Y497-F508 HydrophobicContact CD2-CZ 3.53Å; Y497-F508 HydrophobicContact CE2-CD1 4.36Å; Y497-F508 HydrophobicContact CE2-CD2 4.38Å; Y497-F508 AromaticContact CE2-CE1 3.88Å; Y497-F508 HydrophobicContact CE2-CE1 3.88Å; Y497-F508 AromaticContact CE2-CE2 3.9Å; Y497-F508 HydrophobicContact CE2-CE2 3.9Å; Y497-F508 AromaticContact CE2-CZ 3.62Å; Y497-F508 HydrophobicContact CE2-CZ 3.62Å; Y497-F508 HydrophobicContact CG-CD1 4.01Å; Y497-F508 AromaticContact CG-CE1 3.68Å; Y497-F508 HydrophobicContact CG-CE1 3.68Å; Y497-F508 HydrophobicContact CG-CZ 4.25Å
498G75.6Confident76.5Confident11 Ų1165.2 Ų65.211%0.11334%0.336CS..EExtended strand (participates in β ladder)trans170.4-174-17500000113.2F506 W507G498-F506 CarbonylContact O-C 3.56Å; G498-F506 WeakPolarHBondContact O-CA 3.21Å; G498-W507 PolarHBondContact N-O 3.08Å; G498-W507 PolarHBondContact O-N 3.41Å
499K72.2Confident77.2Confident157 Ų15763.2 Ų63.268%0.68332%0.315SS*.EExtended strand (participates in β ladder)trans-75157.1167.6-64.2-175.7179.3-176.50110.3F496 F506F496-K499 WeakPolarHBondContact CZ-O 3.43Å; K499-F506 HydrophobicContact CG-CE1 4.39Å; K499-F506 HydrophobicContact CG-CZ 4.37Å
500T72.1Confident77.9Confident10 Ų1054.9 Ų54.96%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-140.3142.1-176.947.70000111.7F496 F502 A503 W507 Y528 F538F496-T500 HydrophobicContact CE1-CG2 3.8Å; F496-T500 HydrophobicContact CZ-CG2 4.33Å; T500-F502 VanDerWaalsContact C-N 3.28Å; T500-F502 HydrophobicContact CG2-CD1 4.39Å; T500-F502 HydrophobicContact CG2-CE1 3.51Å; T500-F502 HydrophobicContact CG2-CZ 3.66Å; T500-F502 PolarHBondContact O-N 2.77Å; T500-A503 PolarHBondContact O-N 2.74Å; T500-A503 PolarHBondContact OG1-O 2.77Å; T500-W507 HydrophobicContact CG2-CB 4.02Å; T500-W507 HydrophobicContact CG2-CG 4.48Å; T500-Y528 HydrophobicContact CG2-CD1 4.1Å; T500-Y528 HydrophobicContact CG2-CE1 3.88Å; T500-F538 HydrophobicContact CG2-CD1 4.31Å; T500-F538 HydrophobicContact CG2-CE1 3.84Å; T500-F538 HydrophobicContact CG2-CZ 4.24Å
501D61.1Low78.4Confident123 Ų12352.9 Ų52.966%0.65827%0.268SS*.THydrogen-bonded Turntrans-73.2-23.4-172.8-47.3-28.5000112.4Y528D501-Y528 WeakPolarHBondContact CB-OH 3.37Å; D501-Y528 VanDerWaalsContact CG-OH 3.29Å; D501-Y528 PolarHBondContact N-OH 2.73Å; D501-Y528 PolarHBondContact OD2-OH 3.17Å
502F61.1Low78.5Confident55 Ų5549.9 Ų49.924%0.24125%0.252CS..THydrogen-bonded Turntrans-83.3-15.6-179.165.1-100.9000114.4T500 W507 V523 F524 Y528 F538T500-F502 VanDerWaalsContact C-N 3.28Å; T500-F502 HydrophobicContact CG2-CD1 4.39Å; T500-F502 HydrophobicContact CG2-CE1 3.51Å; T500-F502 HydrophobicContact CG2-CZ 3.66Å; T500-F502 PolarHBondContact O-N 2.77Å; F502-W507 HydrophobicContact CE2-CD2 4.37Å; F502-W507 HydrophobicContact CE2-CE3 4.44Å; F502-V523 HydrophobicContact CB-CG1 3.8Å; F502-V523 HydrophobicContact CD1-CB 3.73Å; F502-V523 HydrophobicContact CD1-CG1 3.57Å; F502-V523 HydrophobicContact CD1-CG2 4.21Å; F502-V523 HydrophobicContact CE1-CB 4.19Å; F502-V523 HydrophobicContact CE1-CG1 4.35Å; F502-V523 HydrophobicContact CE1-CG2 4.21Å; F502-V523 HydrophobicContact CG-CB 4.4Å; F502-V523 HydrophobicContact CG-CG1 3.73Å; F502-F524 HydrophobicContact CB-CD2 3.74Å; F502-F524 HydrophobicContact CB-CE2 3.83Å; F502-Y528 HydrophobicContact CD1-CE2 4.06Å; F502-Y528 HydrophobicContact CE1-CE2 4.1Å; F502-F538 HydrophobicContact CE1-CD1 4.26Å; F502-F538 AromaticContact CE1-CD2 3.55Å; F502-F538 HydrophobicContact CE1-CD2 3.55Å; F502-F538 HydrophobicContact CE1-CE1 4.23Å; F502-F538 AromaticContact CE1-CE2 3.54Å; F502-F538 HydrophobicContact CE1-CE2 3.54Å; F502-F538 AromaticContact CE1-CG 3.92Å; F502-F538 HydrophobicContact CE1-CG 3.92Å; F502-F538 AromaticContact CE1-CZ 3.88Å; F502-F538 HydrophobicContact CE1-CZ 3.88Å; F502-F538 HydrophobicContact CE2-CB 4.18Å; F502-F538 HydrophobicContact CE2-CD2 4.44Å; F502-F538 HydrophobicContact CE2-CG 4.3Å; F502-F538 HydrophobicContact CZ-CB 3.68Å; F502-F538 AromaticContact CZ-CD1 3.76Å; F502-F538 HydrophobicContact CZ-CD1 3.76Å; F502-F538 AromaticContact CZ-CD2 3.42Å; F502-F538 HydrophobicContact CZ-CD2 3.42Å; F502-F538 VanDerWaalsContact CZ-CD2 3.42Å; F502-F538 HydrophobicContact CZ-CE1 4.17Å; F502-F538 AromaticContact CZ-CE2 3.89Å; F502-F538 HydrophobicContact CZ-CE2 3.89Å; F502-F538 AromaticContact CZ-CG 3.35Å; F502-F538 HydrophobicContact CZ-CG 3.35Å; F502-F538 HydrophobicContact CZ-CZ 4.22Å
503A50.5Low78.5Confident19 Ų1954.2 Ų54.216%0.15728%0.275CS..EExtended strand (participates in β ladder)trans-161136.8-179.300000112.1T500 W507T500-A503 PolarHBondContact O-N 2.74Å; T500-A503 PolarHBondContact OG1-O 2.77Å; A503-W507 HydrophobicContact CB-CH2 4.37Å; A503-W507 HydrophobicContact CB-CZ2 3.54Å; A503-W507 PolarHBondContact O-NE1 3.07Å
504P51.3Low78.4Confident125 Ų12558.6 Ų58.681%0.81230%0.295SS*.EExtended strand (participates in β ladder)trans-68.8161.7179.330.2-36.1000112.5W507P504-W507 PolarHBondContact O-NE1 2.86Å
505G67.6Low78.1Confident47 Ų4762.2 Ų62.249%0.48532%0.319SS..EExtended strand (participates in β ladder)trans93.6-172.3-176.100000113.3
506F74.9Confident78Confident102 Ų10259.7 Ų59.745%0.44732%0.316SS..EExtended strand (participates in β ladder)trans-95.1140.3169.7-76.7-95.5000109.9Y497 G498 K499 P541Y497-F506 HydrophobicContact CE1-CD1 4.2Å; Y497-F506 HydrophobicContact CE2-CB 3.82Å; Y497-F506 HydrophobicContact CE2-CD1 4.28Å; Y497-F506 HydrophobicContact CE2-CG 4.44Å; Y497-F506 AromaticContact CZ-CD1 3.9Å; G498-F506 CarbonylContact O-C 3.56Å; G498-F506 WeakPolarHBondContact O-CA 3.21Å; K499-F506 HydrophobicContact CG-CE1 4.39Å; K499-F506 HydrophobicContact CG-CZ 4.37Å; F506-P541 WeakPolarHBondContact O-CD 3.25Å
507W85.3Confident77.7Confident52 Ų5258.3 Ų58.320%0.19731%0.313CS..EExtended strand (participates in β ladder)trans-132.7138.3-175.8-70.780.6000110.8Y497 G498 T500 F502 A503 P504 F538 A539 P540Y497-W507 WeakPolarHBondContact CA-O 3.48Å; G498-W507 PolarHBondContact N-O 3.08Å; G498-W507 PolarHBondContact O-N 3.41Å; T500-W507 HydrophobicContact CG2-CB 4.02Å; T500-W507 HydrophobicContact CG2-CG 4.48Å; F502-W507 HydrophobicContact CE2-CD2 4.37Å; F502-W507 HydrophobicContact CE2-CE3 4.44Å; A503-W507 HydrophobicContact CB-CH2 4.37Å; A503-W507 HydrophobicContact CB-CZ2 3.54Å; A503-W507 PolarHBondContact O-NE1 3.07Å; P504-W507 PolarHBondContact O-NE1 2.86Å; W507-F538 HydrophobicContact CB-CD1 4.07Å; W507-F538 HydrophobicContact CE3-CB 3.98Å; W507-A539 VanDerWaalsContact CE3-C 3.4Å; W507-P540 HydrophobicContact CZ3-CG 4.43Å
508F85.1Confident77Confident4 Ų461.8 Ų61.82%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-88.1120.5166.9-70.2-76.1000109.1V478 V494 F496 Y497 V510 F538 A539 P541 V544V478-F508 HydrophobicContact CB-CE1 4.03Å; V478-F508 HydrophobicContact CB-CZ 3.87Å; V478-F508 HydrophobicContact CG1-CD1 4.18Å; V478-F508 HydrophobicContact CG1-CE1 3.56Å; V478-F508 HydrophobicContact CG1-CZ 3.86Å; V494-F508 HydrophobicContact CG1-CD1 3.74Å; V494-F508 HydrophobicContact CG1-CE1 4.41Å; V494-F508 HydrophobicContact CG2-CD1 4.2Å; F496-F508 CarbonylContact O-C 3.54Å; F496-F508 WeakPolarHBondContact O-CA 3.43Å; Y497-F508 AromaticContact CD2-CD1 3.49Å; Y497-F508 HydrophobicContact CD2-CD1 3.49Å; Y497-F508 VanDerWaalsContact CD2-CD1 3.49Å; Y497-F508 HydrophobicContact CD2-CD2 4.17Å; Y497-F508 AromaticContact CD2-CE1 3.26Å; Y497-F508 HydrophobicContact CD2-CE1 3.26Å; Y497-F508 AromaticContact CD2-CE2 3.98Å; Y497-F508 HydrophobicContact CD2-CE2 3.98Å; Y497-F508 AromaticContact CD2-CG 3.95Å; Y497-F508 HydrophobicContact CD2-CG 3.95Å; Y497-F508 AromaticContact CD2-CZ 3.53Å; Y497-F508 HydrophobicContact CD2-CZ 3.53Å; Y497-F508 HydrophobicContact CE2-CD1 4.36Å; Y497-F508 HydrophobicContact CE2-CD2 4.38Å; Y497-F508 AromaticContact CE2-CE1 3.88Å; Y497-F508 HydrophobicContact CE2-CE1 3.88Å; Y497-F508 AromaticContact CE2-CE2 3.9Å; Y497-F508 HydrophobicContact CE2-CE2 3.9Å; Y497-F508 AromaticContact CE2-CZ 3.62Å; Y497-F508 HydrophobicContact CE2-CZ 3.62Å; Y497-F508 HydrophobicContact CG-CD1 4.01Å; Y497-F508 AromaticContact CG-CE1 3.68Å; Y497-F508 HydrophobicContact CG-CE1 3.68Å; Y497-F508 HydrophobicContact CG-CZ 4.25Å; F508-V510 HydrophobicContact CB-CG2 4.18Å; F508-F538 WeakPolarHBondContact O-CA 3.11Å; F508-A539 PolarHBondContact N-O 3.48Å; F508-A539 PolarHBondContact O-N 2.84Å; F508-P541 HydrophobicContact CD2-CB 4.48Å; F508-P541 HydrophobicContact CD2-CG 4.22Å; F508-P541 HydrophobicContact CE2-CB 3.94Å; F508-P541 HydrophobicContact CE2-CG 3.85Å; F508-V544 HydrophobicContact CB-CG2 4.07Å; F508-V544 HydrophobicContact CD2-CB 3.99Å; F508-V544 HydrophobicContact CD2-CG1 4.13Å; F508-V544 HydrophobicContact CD2-CG2 3.83Å; F508-V544 HydrophobicContact CE2-CB 4.45Å; F508-V544 HydrophobicContact CG-CG1 4.35Å; F508-V544 HydrophobicContact CG-CG2 4.25Å
509G88.4Confident77.3Confident0 Ų062.6 Ų62.60%033%0.331CS..EExtended strand (participates in β ladder)trans-87.5117.3164.500000109R495 F496 F529R495-G509 PolarHBondContact N-O 3.43Å; F496-G509 PolarHBondContact N-O 3.12Å; F496-G509 PolarHBondContact O-N 2.84Å; G509-F529 VanDerWaalsContact CA-CE1 3.43Å
510V91.3Very high78Confident0 Ų056.8 Ų56.80%031%0.307CS..EExtended strand (participates in β ladder)trans-117130-174.1-176.30000109.2V484 V486 I493 V494 F508 L512 G536 V537V484-V510 HydrophobicContact CG2-CG1 3.83Å; V484-V510 HydrophobicContact CG2-CG2 3.92Å; V486-V510 HydrophobicContact CG2-CB 4.09Å; V486-V510 HydrophobicContact CG2-CG1 4Å; V486-V510 HydrophobicContact CG2-CG2 3.87Å; I493-V510 WeakPolarHBondContact O-CA 3.25Å; V494-V510 HydrophobicContact CG2-CG2 4.42Å; F508-V510 HydrophobicContact CB-CG2 4.18Å; V510-L512 HydrophobicContact CG1-CD2 4.08Å; V510-G536 WeakPolarHBondContact O-CA 3.48Å; V510-V537 HydrophobicContact CB-CG1 4.06Å; V510-V537 PolarHBondContact N-O 2.96Å; V510-V537 PolarHBondContact O-N 3.04Å
511E93.6Very high78.1Confident37 Ų3756.3 Ų56.317%0.17331%0.305CS..EExtended strand (participates in β ladder)trans-85.9112.9164.6174.2171.4-133.900107.8G492 I493 R495 F529 C531G492-E511 CarbonylContact C-O 3.59Å; G492-E511 WeakPolarHBondContact CA-O 3.43Å; I493-E511 PolarHBondContact N-O 3.08Å; I493-E511 PolarHBondContact O-N 2.98Å; R495-E511 HydrophobicContact CG-CB 3.66Å; R495-E511 IonicContact CZ-OE2 2.73Å; R495-E511 IonicContact NE-OE2 3.68Å; R495-E511 PolarHBondContact NE-OE2 3.1Å; R495-E511 IonicContact NH2-OE2 2.92Å; R495-E511 PolarHBondContact NH2-OE2 3.19Å; E511-F529 HydrophobicContact CB-CE2 4.4Å; E511-C531 HydrophobicContact CB-CB 4Å; E511-C531 VanDerWaalsContact CD-CB 3.49Å; E511-C531 HydrophobicContact CG-CB 3.6Å; E511-C531 WeakPolarHBondContact OE1-CA 3.09Å; E511-C531 WeakPolarHBondContact OE1-CB 3.17Å
512L90.4Very high78.7Confident3 Ų351.9 Ų51.92%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-78.3153.4179.2-61.3177.9000111.4V486 K490 L491 V510 Q514 Y535 V537V486-L512 HydrophobicContact CG2-CD2 4.39Å; K490-L512 HydrophobicContact CB-CD1 4.34Å; K490-L512 HydrophobicContact CB-CD2 3.87Å; K490-L512 HydrophobicContact CD-CD1 3.88Å; L491-L512 WeakPolarHBondContact O-CA 3.39Å; V510-L512 HydrophobicContact CG1-CD2 4.08Å; L512-Q514 PolarHBondContact O-N 2.85Å; L512-Y535 WeakPolarHBondContact CB-O 3.29Å; L512-Y535 WeakPolarHBondContact CG-O 3.24Å; L512-Y535 PolarHBondContact N-O 3.01Å; L512-Y535 VanDerWaalsContact O-CD1 3.26Å; L512-Y535 WeakPolarHBondContact O-CD1 3.25Å; L512-V537 HydrophobicContact CD1-CB 4.19Å; L512-V537 HydrophobicContact CD1-CG1 3.9Å; L512-V537 HydrophobicContact CD2-CG1 3.81Å; L512-V537 HydrophobicContact CG-CB 4.47Å; L512-V537 HydrophobicContact CG-CG1 3.8Å
513D88.8Confident78.9Confident90 Ų9050.6 Ų50.648%0.48128%0.28SS..SBendtrans-72.1-9.9177.6-58.3-27.2000113.4L491L491-D513 WeakPolarHBondContact CD2-OD2 3.29Å; L491-D513 PolarHBondContact O-N 3.05Å; L491-D513 VanDerWaalsContact O-N 3.07Å
514Q87.9Confident79.2Confident132 Ų13258.5 Ų58.562%0.61731%0.311SS*.SBendtrans-135.7153-173.9-65.7-173.821.700111.6L512 T516L512-Q514 PolarHBondContact O-N 2.85Å; Q514-T516 HydrophobicContact CB-CG2 4.26Å; Q514-T516 PolarHBondContact O-N 3Å
515P85.6Confident79.9Confident77 Ų7756.2 Ų56.250%0.531%0.31SS..SBendtrans-73.150.3-177.131.8-37.9000113.9K534 Y535P515-K534 CarbonylContact C-O 3.58Å; P515-K534 VanDerWaalsContact CA-O 3.25Å; P515-K534 WeakPolarHBondContact CA-O 3.5Å; P515-Y535 HydrophobicContact CB-CD2 4.2Å; P515-Y535 HydrophobicContact CB-CE2 3.58Å; P515-Y535 HydrophobicContact CG-CE2 4.49Å
516T83.2Confident79.7Confident60 Ų6056.3 Ų56.337%0.36830%0.301SS..  trans-1188.5-179.779.70000113.1K490 Q514 K534K490-T516 WeakPolarHBondContact CE-OG1 3.36Å; K490-T516 PolarHBondContact NZ-O 3.15Å; K490-T516 PolarHBondContact NZ-OG1 2.96Å; Q514-T516 HydrophobicContact CB-CG2 4.26Å; Q514-T516 PolarHBondContact O-N 3Å; T516-K534 PolarHBondContact N-O 3.47Å; T516-K534 VanDerWaalsContact N-O 3.17Å
517G79.9Confident80Confident12 Ų1257.6 Ų57.612%0.12430%0.303CS..SBendtrans-73.2177.2167.300000112K534 G536G517-K534 CarbonylContact C-O 3.49Å; G517-K534 VanDerWaalsContact CA-O 3.24Å; G517-K534 WeakPolarHBondContact CA-O 3.45Å; G517-K534 PolarHBondContact N-O 3.1Å; G517-G536 CarbonylContact C-O 3.57Å; G517-G536 VanDerWaalsContact CA-O 3.29Å; G517-G536 WeakPolarHBondContact CA-O 3.36Å
518K71.5Confident79.7Confident182 Ų18256.7 Ų56.779%0.79130%0.3SS*.SBendtrans-103.5-20.8-175.8-65-175.4178.2-173.30113.5G536K518-G536 PolarHBondContact N-O 2.92Å
519H81.9Confident79.8Confident27 Ų2757.2 Ų57.213%0.12530%0.302CS..BIsolated β-bridgetrans-145.4-176.4-171.743.290000112G521 S522 V523 K534 Y535 G536 V537 F538H519-G521 PolarHBondContact ND1-N 3.24Å; H519-S522 WeakPolarHBondContact CB-O 3.39Å; H519-V523 HydrophobicContact CB-CG2 4.5Å; H519-K534 PolarHBondContact O-N 3.04Å; H519-K534 VanDerWaalsContact O-N 3.08Å; H519-Y535 PolarHBondContact O-N 3.44Å; H519-G536 PolarHBondContact N-O 3.49Å; H519-G536 PolarHBondContact NE2-O 2.86Å; H519-G536 WeakPolarHBondContact O-CA 3.48Å; H519-G536 PolarHBondContact O-N 2.79Å; H519-V537 PolarHBondContact CE1-N 3.43Å; H519-V537 WeakPolarHBondContact NE2-CA 3.46Å; H519-F538 AromaticContact CE1-CD2 3.3Å; H519-F538 WeakPolarHBondContact CE1-CD2 3.22Å; H519-F538 AromaticContact CE1-CE2 3.59Å; H519-F538 AromaticContact NE2-CD2 3.36Å; H519-F538 WeakPolarHBondContact NE2-CD2 3.36Å; H519-F538 PolarHBondContact NE2-N 2.73Å
520D85.7Confident79.7Confident35 Ų3561.2 Ų61.219%0.18733%0.33CS..SBendtrans-100.16.6172.377.8-37.6000112.7S522 R527 C531 P533D520-S522 WeakPolarHBondContact OD1-CB 3.37Å; D520-S522 PolarHBondContact OD1-N 3.07Å; D520-S522 PolarHBondContact OD1-OG 3.28Å; D520-R527 IonicContact OD1-NH1 3.16Å; D520-R527 IonicContact OD2-CZ 2.68Å; D520-R527 IonicContact OD2-NH1 2.75Å; D520-R527 PolarHBondContact OD2-NH1 3.4Å; D520-R527 IonicContact OD2-NH2 2.99Å; D520-R527 PolarHBondContact OD2-NH2 2.98Å; D520-C531 PolarHBondContact O-N 2.77Å; D520-C531 PolarHBondContact O-SG 3.28Å; D520-P533 HydrophobicContact CB-CG 4.47Å
521G75.3Confident79.5Confident0 Ų062.1 Ų62.10%034%0.337CS..SBendtrans105.1-4.6-172.500000114.1H519 Y528 F529H519-G521 PolarHBondContact ND1-N 3.24Å; G521-Y528 PolarHBondContact O-N 3.01Å; G521-Y528 VanDerWaalsContact O-N 3.07Å; G521-F529 CarbonylContact C-O 3.14Å; G521-F529 VanDerWaalsContact C-O 3.27Å; G521-F529 VanDerWaalsContact CA-O 3.32Å; G521-F529 WeakPolarHBondContact CA-O 3.44Å; G521-F529 PolarHBondContact O-N 3.45Å
522S74Confident78.6Confident31 Ų3165.5 Ų65.522%0.21736%0.355CS..EExtended strand (participates in β ladder)trans-99.5149.2163.369.50000112.8H519 D520 V526H519-S522 WeakPolarHBondContact CB-O 3.39Å; D520-S522 WeakPolarHBondContact OD1-CB 3.37Å; D520-S522 PolarHBondContact OD1-N 3.07Å; D520-S522 PolarHBondContact OD1-OG 3.28Å; S522-V526 CarbonylContact C-O 3.59Å; S522-V526 WeakPolarHBondContact CA-O 3.38Å; S522-V526 WeakPolarHBondContact CB-O 3.45Å
523V64.6Low78.1Confident27 Ų2770 Ų7016%0.16438%0.384CS..EExtended strand (participates in β ladder)trans-141.9129.7173.61770000108.1F502 H519 G525 V526 Y528 F538F502-V523 HydrophobicContact CB-CG1 3.8Å; F502-V523 HydrophobicContact CD1-CB 3.73Å; F502-V523 HydrophobicContact CD1-CG1 3.57Å; F502-V523 HydrophobicContact CD1-CG2 4.21Å; F502-V523 HydrophobicContact CE1-CB 4.19Å; F502-V523 HydrophobicContact CE1-CG1 4.35Å; F502-V523 HydrophobicContact CE1-CG2 4.21Å; F502-V523 HydrophobicContact CG-CB 4.4Å; F502-V523 HydrophobicContact CG-CG1 3.73Å; H519-V523 HydrophobicContact CB-CG2 4.5Å; V523-G525 VanDerWaalsContact C-N 3.28Å; V523-G525 PolarHBondContact O-N 2.58Å; V523-V526 PolarHBondContact N-O 3.02Å; V523-V526 PolarHBondContact O-N 3.05Å; V523-V526 VanDerWaalsContact O-N 3.11Å; V523-Y528 HydrophobicContact CB-CE2 4.25Å; V523-F538 HydrophobicContact CG2-CD2 3.85Å; V523-F538 HydrophobicContact CG2-CE2 3.72Å
524F56.6Low77.9Confident186 Ų18672.3 Ų72.382%0.81639%0.39SS*.THydrogen-bonded Turntrans47.446.4-173.6-56.8-57000113.6F502 V526F502-F524 HydrophobicContact CB-CD2 3.74Å; F502-F524 HydrophobicContact CB-CE2 3.83Å; F524-V526 PolarHBondContact O-N 3.29Å; F524-V526 VanDerWaalsContact O-N 3.09Å
525G65.6Low77.9Confident77 Ų7769 Ų6979%0.79437%0.373SS*.THydrogen-bonded Turntrans77.8-21.1179.800000115.3V523V523-G525 VanDerWaalsContact C-N 3.28Å; V523-G525 PolarHBondContact O-N 2.58Å
526V63.5Low78Confident48 Ų4865.4 Ų65.429%0.29135%0.349SS..EExtended strand (participates in β ladder)trans-80.9127.6177.4-176.70000110.1S522 V523 F524 Y528S522-V526 CarbonylContact C-O 3.59Å; S522-V526 WeakPolarHBondContact CA-O 3.38Å; S522-V526 WeakPolarHBondContact CB-O 3.45Å; V523-V526 PolarHBondContact N-O 3.02Å; V523-V526 PolarHBondContact O-N 3.05Å; V523-V526 VanDerWaalsContact O-N 3.11Å; F524-V526 PolarHBondContact O-N 3.29Å; F524-V526 VanDerWaalsContact O-N 3.09Å; V526-Y528 HydrophobicContact CB-CE2 3.87Å; V526-Y528 HydrophobicContact CG1-CD2 4.41Å; V526-Y528 HydrophobicContact CG1-CE1 4.07Å; V526-Y528 HydrophobicContact CG1-CE2 3.81Å; V526-Y528 WeakPolarHBondContact O-CD2 3.2Å; V526-Y528 WeakPolarHBondContact O-CE2 3.31Å
527R81.7Confident78.2Confident129 Ų12963.4 Ų63.449%0.48734%0.337SS..EExtended strand (participates in β ladder)trans-98.4120.1178.1-175.5174.6-66.8-74.5-3.1111.2D520 F529D520-R527 IonicContact OD1-NH1 3.16Å; D520-R527 IonicContact OD2-CZ 2.68Å; D520-R527 IonicContact OD2-NH1 2.75Å; D520-R527 PolarHBondContact OD2-NH1 3.4Å; D520-R527 IonicContact OD2-NH2 2.99Å; D520-R527 PolarHBondContact OD2-NH2 2.98Å; R527-F529 WeakPolarHBondContact CG-O 3.1Å; R527-F529 PolarHBondContact NH1-O 3.01Å
528Y78.4Confident78.6Confident34 Ų3463.9 Ų63.913%0.13334%0.335CS..SBendtrans-103.4-34.3179.5-58.1-90.7000111.9F496 T500 D501 F502 G521 V523 V526 F538F496-Y528 WeakPolarHBondContact CD2-O 3.12Å; F496-Y528 HydrophobicContact CE1-CD1 4.3Å; F496-Y528 AromaticContact CE2-CD1 3.92Å; F496-Y528 HydrophobicContact CE2-CD1 3.92Å; F496-Y528 HydrophobicContact CE2-CG 4.48Å; F496-Y528 AromaticContact CZ-CD1 3.75Å; F496-Y528 HydrophobicContact CZ-CD1 3.75Å; T500-Y528 HydrophobicContact CG2-CD1 4.1Å; T500-Y528 HydrophobicContact CG2-CE1 3.88Å; D501-Y528 WeakPolarHBondContact CB-OH 3.37Å; D501-Y528 VanDerWaalsContact CG-OH 3.29Å; D501-Y528 PolarHBondContact N-OH 2.73Å; D501-Y528 PolarHBondContact OD2-OH 3.17Å; F502-Y528 HydrophobicContact CD1-CE2 4.06Å; F502-Y528 HydrophobicContact CE1-CE2 4.1Å; G521-Y528 PolarHBondContact O-N 3.01Å; G521-Y528 VanDerWaalsContact O-N 3.07Å; V523-Y528 HydrophobicContact CB-CE2 4.25Å; V526-Y528 HydrophobicContact CB-CE2 3.87Å; V526-Y528 HydrophobicContact CG1-CD2 4.41Å; V526-Y528 HydrophobicContact CG1-CE1 4.07Å; V526-Y528 HydrophobicContact CG1-CE2 3.81Å; V526-Y528 WeakPolarHBondContact O-CD2 3.2Å; V526-Y528 WeakPolarHBondContact O-CE2 3.31Å; Y528-F538 HydrophobicContact CD1-CZ 4.43Å; Y528-F538 HydrophobicContact CD2-CE2 4.02Å; Y528-F538 AromaticContact CD2-CZ 3.75Å; Y528-F538 HydrophobicContact CD2-CZ 3.75Å; Y528-F538 HydrophobicContact CG-CE2 4.43Å; Y528-F538 AromaticContact CG-CZ 3.7Å; Y528-F538 HydrophobicContact CG-CZ 3.7Å
529F88.4Confident79.1Confident14 Ų1455.4 Ų55.46%0.06130%0.299CS..  trans-149.1179.917163.1-79.8000110.4R495 F496 G509 E511 G521 R527 C531 F538R495-F529 HydrophobicContact CB-CB 3.77Å; R495-F529 HydrophobicContact CB-CD2 3.55Å; R495-F529 HydrophobicContact CB-CE2 4.21Å; R495-F529 HydrophobicContact CB-CG 3.76Å; R495-F529 HydrophobicContact CG-CD2 4Å; R495-F529 HydrophobicContact CG-CE2 4.47Å; F496-F529 HydrophobicContact CB-CB 4.37Å; F496-F529 HydrophobicContact CB-CD1 3.93Å; F496-F529 HydrophobicContact CB-CG 4.48Å; G509-F529 VanDerWaalsContact CA-CE1 3.43Å; E511-F529 HydrophobicContact CB-CE2 4.4Å; G521-F529 CarbonylContact C-O 3.14Å; G521-F529 VanDerWaalsContact C-O 3.27Å; G521-F529 VanDerWaalsContact CA-O 3.32Å; G521-F529 WeakPolarHBondContact CA-O 3.44Å; G521-F529 PolarHBondContact O-N 3.45Å; R527-F529 WeakPolarHBondContact CG-O 3.1Å; R527-F529 PolarHBondContact NH1-O 3.01Å; F529-C531 HydrophobicContact CD2-CB 4.44Å; F529-C531 HydrophobicContact CE2-CB 4.32Å; F529-C531 VanDerWaalsContact CE2-SG 3.59Å; F529-F538 HydrophobicContact CD1-CZ 4.12Å; F529-F538 HydrophobicContact CE1-CE1 4.16Å; F529-F538 AromaticContact CE1-CE2 3.98Å; F529-F538 HydrophobicContact CE1-CE2 3.98Å; F529-F538 AromaticContact CE1-CZ 3.75Å; F529-F538 HydrophobicContact CE1-CZ 3.75Å
530S86.1Confident79Confident84 Ų8455.5 Ų55.559%0.58730%0.302SS*.  trans-127.4131175.7-63.10000110.2
531C86.5Confident78.7Confident20 Ų2055.8 Ų55.814%0.13531%0.306CS..  trans-152.4-179.7171.559.60000108.5E511 D520 F529 G536E511-C531 HydrophobicContact CB-CB 4Å; E511-C531 VanDerWaalsContact CD-CB 3.49Å; E511-C531 HydrophobicContact CG-CB 3.6Å; E511-C531 WeakPolarHBondContact OE1-CA 3.09Å; E511-C531 WeakPolarHBondContact OE1-CB 3.17Å; D520-C531 PolarHBondContact O-N 2.77Å; D520-C531 PolarHBondContact O-SG 3.28Å; F529-C531 HydrophobicContact CD2-CB 4.44Å; F529-C531 HydrophobicContact CE2-CB 4.32Å; F529-C531 VanDerWaalsContact CE2-SG 3.59Å; C531-G536 WeakPolarHBondContact SG-CA 3.18Å; C531-G536 PolarHBondContact SG-N 3.41Å
532L75.4Confident78.7Confident107 Ų10761 Ų6156%0.5634%0.342SS*.  trans-68.9151.8176.8-70.1173.6000112.1K534 Y535L532-K534 PolarHBondContact O-N 3.44Å; L532-Y535 HydrophobicContact CB-CD2 3.4Å; L532-Y535 HydrophobicContact CB-CE2 3.75Å; L532-Y535 HydrophobicContact CB-CG 3.87Å; L532-Y535 HydrophobicContact CD1-CE2 4.22Å; L532-Y535 VanDerWaalsContact O-CB 3.32Å; L532-Y535 WeakPolarHBondContact O-CB 3.46Å; L532-Y535 PolarHBondContact O-N 3.05Å
533P79.9Confident78.9Confident97 Ų9767.2 Ų67.263%0.6336%0.361SS*.THydrogen-bonded Turntrans-56.3129.1175.9-25.935.2000112.2D520 Y535D520-P533 HydrophobicContact CB-CG 4.47Å; P533-Y535 WeakPolarHBondContact O-CD2 3.46Å
534K85Confident79.7Confident140 Ų14066.1 Ų66.161%0.60936%0.355SS*.THydrogen-bonded Turntrans71.218.2-171.9-47.8177.3-177.9177.60115.2P515 T516 G517 H519 L532P515-K534 CarbonylContact C-O 3.58Å; P515-K534 VanDerWaalsContact CA-O 3.25Å; P515-K534 WeakPolarHBondContact CA-O 3.5Å; T516-K534 PolarHBondContact N-O 3.47Å; T516-K534 VanDerWaalsContact N-O 3.17Å; G517-K534 CarbonylContact C-O 3.49Å; G517-K534 VanDerWaalsContact CA-O 3.24Å; G517-K534 WeakPolarHBondContact CA-O 3.45Å; G517-K534 PolarHBondContact N-O 3.1Å; H519-K534 PolarHBondContact O-N 3.04Å; H519-K534 VanDerWaalsContact O-N 3.08Å; L532-K534 PolarHBondContact O-N 3.44Å
535Y86.5Confident80.9Confident63 Ų6362.9 Ų62.925%0.24734%0.342CS..THydrogen-bonded Turntrans-102.9-25.8171.3-71.8-115.2000112.2L512 P515 H519 L532 P533L512-Y535 WeakPolarHBondContact CB-O 3.29Å; L512-Y535 WeakPolarHBondContact CG-O 3.24Å; L512-Y535 PolarHBondContact N-O 3.01Å; L512-Y535 VanDerWaalsContact O-CD1 3.26Å; L512-Y535 WeakPolarHBondContact O-CD1 3.25Å; P515-Y535 HydrophobicContact CB-CD2 4.2Å; P515-Y535 HydrophobicContact CB-CE2 3.58Å; P515-Y535 HydrophobicContact CG-CE2 4.49Å; H519-Y535 PolarHBondContact O-N 3.44Å; L532-Y535 HydrophobicContact CB-CD2 3.4Å; L532-Y535 HydrophobicContact CB-CE2 3.75Å; L532-Y535 HydrophobicContact CB-CG 3.87Å; L532-Y535 HydrophobicContact CD1-CE2 4.22Å; L532-Y535 VanDerWaalsContact O-CB 3.32Å; L532-Y535 WeakPolarHBondContact O-CB 3.46Å; L532-Y535 PolarHBondContact O-N 3.05Å; P533-Y535 WeakPolarHBondContact O-CD2 3.46Å
536G87.8Confident81.7Confident0 Ų064.1 Ų64.10%032%0.323CS..EExtended strand (participates in β ladder)trans-77.9137.3-179.800000113.1V510 G517 K518 H519 C531V510-G536 WeakPolarHBondContact O-CA 3.48Å; G517-G536 CarbonylContact C-O 3.57Å; G517-G536 VanDerWaalsContact CA-O 3.29Å; G517-G536 WeakPolarHBondContact CA-O 3.36Å; K518-G536 PolarHBondContact N-O 2.92Å; H519-G536 PolarHBondContact N-O 3.49Å; H519-G536 PolarHBondContact NE2-O 2.86Å; H519-G536 WeakPolarHBondContact O-CA 3.48Å; H519-G536 PolarHBondContact O-N 2.79Å; C531-G536 WeakPolarHBondContact SG-CA 3.18Å; C531-G536 PolarHBondContact SG-N 3.41Å
537V87.5Confident82.4Confident18 Ų1866.2 Ų66.211%0.10933%0.331CS..EExtended strand (participates in β ladder)trans-138.6148.1167.572.20000110.6V486 V510 L512 H519V486-V537 HydrophobicContact CG1-CG1 4.37Å; V486-V537 HydrophobicContact CG2-CG1 4.32Å; V510-V537 HydrophobicContact CB-CG1 4.06Å; V510-V537 PolarHBondContact N-O 2.96Å; V510-V537 PolarHBondContact O-N 3.04Å; L512-V537 HydrophobicContact CD1-CB 4.19Å; L512-V537 HydrophobicContact CD1-CG1 3.9Å; L512-V537 HydrophobicContact CD2-CG1 3.81Å; L512-V537 HydrophobicContact CG-CB 4.47Å; L512-V537 HydrophobicContact CG-CG1 3.8Å; H519-V537 PolarHBondContact CE1-N 3.43Å; H519-V537 WeakPolarHBondContact NE2-CA 3.46Å
538F88.6Confident82.1Confident23 Ų2361.2 Ų61.210%0.10132%0.32CS..EExtended strand (participates in β ladder)trans-104.7138.1167.3-80.9-76.6000111.7F496 T500 F502 W507 F508 H519 V523 Y528 F529F496-F538 AromaticContact CD1-CE1 3.78Å; F496-F538 HydrophobicContact CD1-CE1 3.78Å; F496-F538 HydrophobicContact CE1-CE1 4.2Å; F496-F538 HydrophobicContact CG-CE1 4.5Å; T500-F538 HydrophobicContact CG2-CD1 4.31Å; T500-F538 HydrophobicContact CG2-CE1 3.84Å; T500-F538 HydrophobicContact CG2-CZ 4.24Å; F502-F538 HydrophobicContact CE1-CD1 4.26Å; F502-F538 AromaticContact CE1-CD2 3.55Å; F502-F538 HydrophobicContact CE1-CD2 3.55Å; F502-F538 HydrophobicContact CE1-CE1 4.23Å; F502-F538 AromaticContact CE1-CE2 3.54Å; F502-F538 HydrophobicContact CE1-CE2 3.54Å; F502-F538 AromaticContact CE1-CG 3.92Å; F502-F538 HydrophobicContact CE1-CG 3.92Å; F502-F538 AromaticContact CE1-CZ 3.88Å; F502-F538 HydrophobicContact CE1-CZ 3.88Å; F502-F538 HydrophobicContact CE2-CB 4.18Å; F502-F538 HydrophobicContact CE2-CD2 4.44Å; F502-F538 HydrophobicContact CE2-CG 4.3Å; F502-F538 HydrophobicContact CZ-CB 3.68Å; F502-F538 AromaticContact CZ-CD1 3.76Å; F502-F538 HydrophobicContact CZ-CD1 3.76Å; F502-F538 AromaticContact CZ-CD2 3.42Å; F502-F538 HydrophobicContact CZ-CD2 3.42Å; F502-F538 VanDerWaalsContact CZ-CD2 3.42Å; F502-F538 HydrophobicContact CZ-CE1 4.17Å; F502-F538 AromaticContact CZ-CE2 3.89Å; F502-F538 HydrophobicContact CZ-CE2 3.89Å; F502-F538 AromaticContact CZ-CG 3.35Å; F502-F538 HydrophobicContact CZ-CG 3.35Å; F502-F538 HydrophobicContact CZ-CZ 4.22Å; W507-F538 HydrophobicContact CB-CD1 4.07Å; W507-F538 HydrophobicContact CE3-CB 3.98Å; F508-F538 WeakPolarHBondContact O-CA 3.11Å; H519-F538 AromaticContact CE1-CD2 3.3Å; H519-F538 WeakPolarHBondContact CE1-CD2 3.22Å; H519-F538 AromaticContact CE1-CE2 3.59Å; H519-F538 AromaticContact NE2-CD2 3.36Å; H519-F538 WeakPolarHBondContact NE2-CD2 3.36Å; H519-F538 PolarHBondContact NE2-N 2.73Å; V523-F538 HydrophobicContact CG2-CD2 3.85Å; V523-F538 HydrophobicContact CG2-CE2 3.72Å; Y528-F538 HydrophobicContact CD1-CZ 4.43Å; Y528-F538 HydrophobicContact CD2-CE2 4.02Å; Y528-F538 AromaticContact CD2-CZ 3.75Å; Y528-F538 HydrophobicContact CD2-CZ 3.75Å; Y528-F538 HydrophobicContact CG-CE2 4.43Å; Y528-F538 AromaticContact CG-CZ 3.7Å; Y528-F538 HydrophobicContact CG-CZ 3.7Å; F529-F538 HydrophobicContact CD1-CZ 4.12Å; F529-F538 HydrophobicContact CE1-CE1 4.16Å; F529-F538 AromaticContact CE1-CE2 3.98Å; F529-F538 HydrophobicContact CE1-CE2 3.98Å; F529-F538 AromaticContact CE1-CZ 3.75Å; F529-F538 HydrophobicContact CE1-CZ 3.75Å
539A82.8Confident81.1Confident4 Ų461.5 Ų61.53%0.03333%0.333CS..EExtended strand (participates in β ladder)trans-140.3143.7176.600000111.9V486 W507 F508 V544V486-A539 HydrophobicContact CG1-CB 3.73Å; W507-A539 VanDerWaalsContact CE3-C 3.4Å; F508-A539 PolarHBondContact N-O 3.48Å; F508-A539 PolarHBondContact O-N 2.84Å; A539-V544 HydrophobicContact CB-CG2 3.63Å
540P79.6Confident79Confident29 Ų2966.5 Ų66.519%0.18837%0.367CS..  trans-73.8155.9172.133.7-35.4000110W507 S542 R543W507-P540 HydrophobicContact CZ3-CG 4.43Å; P540-S542 PolarHBondContact O-N 2.84Å; P540-S542 VanDerWaalsContact O-N 3.12Å; P540-R543 HydrophobicContact CG-CB 4.26Å; P540-R543 HydrophobicContact CG-CG 4.05Å; P540-R543 PolarHBondContact O-N 2.93Å
541P79Confident76.8Confident40 Ų4072.3 Ų72.326%0.2638%0.382SS..G310 helixtrans-48.1-41.8-179.8-31.234.3000114.6F506 F508 R543 V544F506-P541 WeakPolarHBondContact O-CD 3.25Å; F508-P541 HydrophobicContact CD2-CB 4.48Å; F508-P541 HydrophobicContact CD2-CG 4.22Å; F508-P541 HydrophobicContact CE2-CB 3.94Å; F508-P541 HydrophobicContact CE2-CG 3.85Å; P541-R543 PolarHBondContact O-N 2.7Å; P541-V544 PolarHBondContact O-N 2.75Å
542S75.3Confident74.7Confident110 Ų11081.1 Ų81.177%0.76942%0.421SS*.G310 helixtrans-61.9-4.7177.358.60000115.6P540P540-S542 PolarHBondContact O-N 2.84Å; P540-S542 VanDerWaalsContact O-N 3.12Å
543R78.1Confident72.9Confident162 Ų16279.4 Ų79.461%0.61143%0.429SS*.G310 helixtrans-122.412.5176-62.6-174.2179.8-1740.4113.4V486 A487 P540 P541V486-R543 WeakPolarHBondContact CA-O 3.43Å; A487-R543 PolarHBondContact N-O 3.24Å; P540-R543 HydrophobicContact CG-CB 4.26Å; P540-R543 HydrophobicContact CG-CG 4.05Å; P540-R543 PolarHBondContact O-N 2.93Å; P541-R543 PolarHBondContact O-N 2.7Å
544V80.7Confident70.5Confident4 Ų480.5 Ų80.52%0.02444%0.439CS..EExtended strand (participates in β ladder)trans-121.6123.5-179.11800000109.2V484 F508 A539 P541V484-V544 HydrophobicContact CB-CG1 3.72Å; V484-V544 HydrophobicContact CG1-CG1 3.71Å; V484-V544 HydrophobicContact CG2-CG1 4.03Å; F508-V544 HydrophobicContact CB-CG2 4.07Å; F508-V544 HydrophobicContact CD2-CB 3.99Å; F508-V544 HydrophobicContact CD2-CG1 4.13Å; F508-V544 HydrophobicContact CD2-CG2 3.83Å; F508-V544 HydrophobicContact CE2-CB 4.45Å; F508-V544 HydrophobicContact CG-CG1 4.35Å; F508-V544 HydrophobicContact CG-CG2 4.25Å; A539-V544 HydrophobicContact CB-CG2 3.63Å; P541-V544 PolarHBondContact O-N 2.75Å
545Q81.9Confident68.2Low118 Ų11882.4 Ų82.455%0.55145%0.45SS*.EExtended strand (participates in β ladder)trans-120.6129.1179.8-62.1176.5100109.8V484 L485 I547V484-Q545 CarbonylContact C-O 3.6Å; V484-Q545 WeakPolarHBondContact CA-O 3.49Å; L485-Q545 HydrophobicContact CB-CB 4.41Å; L485-Q545 PolarHBondContact N-O 3.33Å; L485-Q545 PolarHBondContact O-N 2.73Å; Q545-I547 PolarHBondContact O-N 3.06Å
546R82.6Confident65.4Low103 Ų10386.3 Ų86.339%0.38948%0.475SS..EExtended strand (participates in β ladder)trans-68.6124.5177.3-159.8171.9-178.4169.77.3110.1N477 V478 D482N477-R546 VanDerWaalsContact O-CD 3.29Å; N477-R546 WeakPolarHBondContact O-CD 3.46Å; N477-R546 PolarHBondContact O-NH1 2.89Å; V478-R546 HydrophobicContact CG2-CB 3.83Å; V478-R546 HydrophobicContact CG2-CG 4.29Å; D482-R546 HydrophobicContact CB-CG 4.46Å; D482-R546 VanDerWaalsContact CG-CZ 3.4Å; D482-R546 VanDerWaalsContact CG-NH2 3.26Å; D482-R546 IonicContact OD1-CZ 2.65Å; D482-R546 IonicContact OD1-NE 3.86Å; D482-R546 PolarHBondContact OD1-NE 3.44Å; D482-R546 IonicContact OD1-NH2 3.94Å; D482-R546 PolarHBondContact OD1-NH2 3Å; D482-R546 IonicContact OD2-CZ 2.73Å; D482-R546 IonicContact OD2-NE 3.45Å; D482-R546 PolarHBondContact OD2-NE 2.89Å; D482-R546 IonicContact OD2-NH1 3.6Å; D482-R546 IonicContact OD2-NH2 3.59Å; D482-R546 PolarHBondContact OD2-NH2 3.05Å
547I79.6Confident62.6Low91 Ų9194.5 Ų94.547%0.46752%0.519SS..EExtended strand (participates in β ladder)trans-95.6-39.3168.9-73.4-178.6000110.2Q483 L485 L491 Q545Q483-I547 PolarHBondContact O-N 3.22Å; L485-I547 HydrophobicContact CB-CD1 3.74Å; L485-I547 HydrophobicContact CB-CG1 4.13Å; L485-I547 HydrophobicContact CD1-CD1 4.13Å; L485-I547 HydrophobicContact CD2-CD1 4.41Å; L485-I547 HydrophobicContact CG-CD1 4.31Å; L491-I547 HydrophobicContact CD1-CD1 3.57Å; L491-I547 HydrophobicContact CG-CD1 4.04Å; Q545-I547 PolarHBondContact O-N 3.06Å
548G73.6Confident59.8Low24 Ų2496.5 Ų96.525%0.24754%0.544CS..EExtended strand (participates in β ladder)trans-165.6165.6-177.600000113.6Q483Q483-G548 PolarHBondContact N-O 3.43Å; Q483-G548 PolarHBondContact O-N 2.94Å; Q483-G548 VanDerWaalsContact O-N 3.16Å
549G58.9Low57Low41 Ų41100.1 Ų100.142%0.42357%0.572SS.*  trans-166154.5179.700000110.8D482 K551D482-G549 WeakPolarHBondContact OD1-CA 3.5Å; G549-K551 PolarHBondContact O-N 2.98Å
550P44.2Very low54.4Low119 Ų119108.1 Ų108.177%0.77361%0.61SS**  trans-72.9125.3-174.128.8-33.9000112.2
551K40.6Very low51.9Low206 Ų206113.5 Ų113.590%0.89664%0.643SS**  trans-108.4140.7152.7-76.9-170173.4-175.90108.6G549G549-K551 PolarHBondContact O-N 2.98Å
552E41.2Very low49.5Very low205 Ų205121.4 Ų121.496%0.95867%0.673SS**  trans-64.6153.9-172-60.5-172.1120.900113.6
553G37.4Very low47.2Very low71 Ų71125.6 Ų125.673%0.73268%0.677SS**  trans123.458.9144.700000119
554S30.7Very low44.7Very low119 Ų119123.9 Ų123.983%0.83269%0.685SS**  trans-167.2104.2141.6-85.30000114.7
555Q35.4Very low42Very low180 Ų180131.3 Ų131.384%0.84172%0.719SS**  trans38.2139.3140.5-66.7-178.3-12.400123.7
556N27.9Very low39.7Very low146 Ų146134.7 Ų134.778%0.78173%0.734SS**  trans89.395.8150.2-67.72.9000121.7
557D29.7Very low36.8Very low172 Ų172135.7 Ų135.792%0.9275%0.752SS**  83.4154.9126.8-151.26.5000118.8
558G28.5Very low34.7Very low60 Ų60136.6 Ų136.662%0.61977%0.766SS**  trans146.4-3.7171.900000120.8
559S29.1Very low32.3Very low99 Ų99143.6 Ų143.669%0.69280%0.795SS**  trans75.8153.5166.1870000122.1
560M28.3Very low30.9Very low171 Ų171146.2 Ų146.284%0.84281%0.806SS**  trans59.779.5153.4-70.2-173.7-77.200121.3
561V26.3Very low30.2Very low143 Ų143149.2 Ų149.287%0.86781%0.81SS**  trans-97.2131.2145.2176.30000109.3
562K29.9Very low29.5Very low205 Ų205145.3 Ų145.389%0.89181%0.805SS**  trans-104126.1161.7-80.2-173.2176.3179.10109.9
563K26.5Very low29.2Very low198 Ų198144.9 Ų144.986%0.86180%0.801SS**  trans-89.7-170.6175.7-154.4172.7-176.4177.20109.3
564V24.9Very low28.6Very low127 Ų127152.9 Ų152.977%0.7781%0.809SS**  trans85129.7174.5-178.40000113.5
565H23.9Very low28.6Very low160 Ų160153.6 Ų153.674%0.74180%0.803SS**  cis-153.1162.9-17.3-123.681000109.9
566Q33.4Very low28Very low188 Ų188154.1 Ų154.188%0.87980%0.803SS**  trans-80.4131.4162.7-174.4178.59.300108.9
567V22.7Very low27.9Very low125 Ų125156.2 Ų156.276%0.75881%0.808SS**  trans-137.5133.8176.4179.90000109.4M569V567-M569 HydrophobicContact CG1-CG 4.45Å
568S35.5Very low27.8Very low110 Ų110154.3 Ų154.377%0.76980%0.803SS**  trans-111.8131.2166.8176.20000108.4
569M22.4Very low27.7Very low171 Ų171160 Ų16084%0.84282%0.815SS**  trans-149.1162.7165-78.3-57-64.300108.5V567V567-M569 HydrophobicContact CG1-CG 4.45Å
570S30.8Very low27.5Very low96 Ų96166.2 Ų166.267%0.67182%0.823SS**  trans-132.2175.9-158.954.60000114.1
571Q29.7Very low27.5Very low182 Ų182161.3 Ų161.385%0.8581%0.806SS**  trans75.8156.6171.6-62.4-170.2-2.800116.3
572P24.3Very low27.8Very low123 Ų123159.8 Ų159.880%0.79980%0.799SS**  cis-113.7167740.6-30.8000115.9
573K34.8Very low27.8Very low197 Ų197157.1 Ų157.186%0.85779%0.787SS**  trans-69.6137.6165.4-75.5-170.3173.6-168.80110.6
574R26.5Very low27.9Very low239 Ų239153.1 Ų153.190%0.90278%0.775SS**  trans-154.4123.9151.2-122.2178.1175.6166.3-2.1107.6
575N29.8Very low28.3Very low134 Ų134154 Ų15472%0.71778%0.775SS**  trans-75.4137.7-174.4-68.214000110.9
576F24Very low28.7Very low191 Ų191150.7 Ų150.784%0.83877%0.766SS**  trans-141.4133.2149.8-90.8-86.4000105.1T578F576-T578 PolarHBondContact O-N 3.12Å; F576-T578 VanDerWaalsContact O-N 3.16Å; F576-T578 PolarHBondContact O-OG1 3.22Å
577H25.7Very low28.8Very low190 Ų190146 Ų14688%0.8875%0.754SS**  trans-61122.7175.6-80.4-112.9000108.4
578T26.4Very low29.3Very low132 Ų132148.8 Ų148.881%0.8176%0.759SS**  trans-92.4110.2-172.2-62.80000108.5F576 R580F576-T578 PolarHBondContact O-N 3.12Å; F576-T578 VanDerWaalsContact O-N 3.16Å; F576-T578 PolarHBondContact O-OG1 3.22Å; T578-R580 PolarHBondContact O-N 3.17Å
579M26.8Very low29.3Very low178 Ų178145.8 Ų145.888%0.87774%0.738SS**PPolyproline II helixtrans-48130.9172.3-75.2-178-84.600110.7
580R24.9Very low30.2Very low231 Ų231140.9 Ų140.987%0.87272%0.72SS**PPolyproline II helixtrans-56.5140.6179.6-69.3-176.3-178.9169.82.3110.3T578T578-R580 PolarHBondContact O-N 3.17Å
581S27.5Very low30.6Very low67 Ų67140.2 Ų140.247%0.46971%0.708SS.*PPolyproline II helixtrans-83.5147.5-176.2-165.10000110.1K583 D584S581-K583 PolarHBondContact O-N 3.28Å; S581-D584 PolarHBondContact O-N 3.27Å; S581-D584 VanDerWaalsContact O-N 3.12Å
582P33.3Very low31Very low111 Ų111132.3 Ų132.372%0.72167%0.673SS**THydrogen-bonded Turntrans-59.43.1177.9-27.335.9000116.7T586P582-T586 WeakPolarHBondContact O-CG2 3.48Å
583K29.8Very low31.7Very low150 Ų150134.5 Ų134.565%0.65267%0.666SS**THydrogen-bonded Turntrans-74.6-33.4172.3-67.5-171.7173.2-172.60112.3S581 L585 T586S581-K583 PolarHBondContact O-N 3.28Å; K583-L585 PolarHBondContact O-N 3.46Å; K583-L585 VanDerWaalsContact O-N 3.13Å; K583-T586 PolarHBondContact O-N 2.96Å; K583-T586 PolarHBondContact O-OG1 2.94Å
584D27.8Very low31.9Very low113 Ų113129.6 Ų129.660%0.60465%0.648SS**THydrogen-bonded Turntrans-75.90.1-174.9-49.9-37.7000112.5S581S581-D584 PolarHBondContact O-N 3.27Å; S581-D584 VanDerWaalsContact O-N 3.12Å
585L33.5Very low32.6Very low147 Ų147118.8 Ų118.877%0.7761%0.608SS**THydrogen-bonded Turntrans-114.119.1-178.4-148.777.8000113.1K583K583-L585 PolarHBondContact O-N 3.46Å; K583-L585 VanDerWaalsContact O-N 3.13Å
586T33.7Very low33.1Very low89 Ų89116.4 Ų116.455%0.54659%0.592SS.*SBendtrans-125-4.7-170.762.70000116.8P582 K583 R593P582-T586 WeakPolarHBondContact O-CG2 3.48Å; K583-T586 PolarHBondContact O-N 2.96Å; K583-T586 PolarHBondContact O-OG1 2.94Å; T586-R593 PolarHBondContact O-NH2 3.19Å
587S34.9Very low33.6Very low91 Ų91111.2 Ų111.264%0.63658%0.578SS**  trans-91.2136.9132.347.60000106.6
588E34.3Very low34.3Very low183 Ų183104.7 Ų104.786%0.85555%0.554SS**SBendcis-129.4-166.626.6-60.4-172.8129.800113.6
589S35.6Very low35.5Very low47 Ų4798.8 Ų98.833%0.32952%0.516SS..  trans67.9122.1176.6153.80000116.9I591 S592S589-I591 VanDerWaalsContact C-N 3.26Å; S589-I591 PolarHBondContact OG-N 3.43Å; S589-I591 VanDerWaalsContact OG-N 3.13Å; S589-S592 PolarHBondContact OG-N 3.26Å; S589-S592 PolarHBondContact OG-OG 3.04Å
590S40.8Very low36.3Very low68 Ų6895 Ų9548%0.47650%0.495SS..SBendtrans-77.3-14.2168.7-150.20000112.5L594S590-L594 PolarHBondContact O-N 2.66Å
591I39.4Very low37.2Very low81 Ų8187.5 Ų87.542%0.41548%0.476SS..Hα-helixtrans-78.6-43.3-168.4-62.9170.4000111S589 R593 L594 L595S589-I591 VanDerWaalsContact C-N 3.26Å; S589-I591 PolarHBondContact OG-N 3.43Å; S589-I591 VanDerWaalsContact OG-N 3.13Å; I591-R593 PolarHBondContact O-N 2.86Å; I591-L594 WeakPolarHBondContact O-CA 3.5Å; I591-L594 WeakPolarHBondContact O-CB 3.44Å; I591-L594 PolarHBondContact O-N 2.73Å; I591-L595 HydrophobicContact CG2-CD1 3.89Å; I591-L595 HydrophobicContact CG2-CG 4.2Å; I591-L595 WeakPolarHBondContact O-CG 3.17Å; I591-L595 PolarHBondContact O-N 3.15Å
592S36.9Very low38.3Very low17 Ų1786.9 Ų86.912%0.11946%0.463CS..Hα-helixtrans-61.5-31.9-178.4-45.70000112.1H192 S589 F596H192-S592 PolarHBondContact O-OG 3.38Å; S589-S592 PolarHBondContact OG-N 3.26Å; S589-S592 PolarHBondContact OG-OG 3.04Å; S592-F596 PolarHBondContact O-N 3Å
593R39.6Very low39.1Very low168 Ų16884 Ų8463%0.63444%0.441SS*.Hα-helixtrans-70.7-36.9171.8-60.9-172-171.6-1512.8112.9T586 I591 C597T586-R593 PolarHBondContact O-NH2 3.19Å; I591-R593 PolarHBondContact O-N 2.86Å; R593-C597 WeakPolarHBondContact O-CB 3.48Å; R593-C597 PolarHBondContact O-N 3.4Å; R593-C597 PolarHBondContact O-SG 3.11Å; R593-C597 VanDerWaalsContact O-SG 3.33Å
594L37.8Very low39.6Very low95 Ų9580.1 Ų80.150%0.49743%0.427SS..Hα-helixtrans-65.7-45.4173.4-98.9152.6000111.2S590 I591 F596 C597 C598S590-L594 PolarHBondContact O-N 2.66Å; I591-L594 WeakPolarHBondContact O-CA 3.5Å; I591-L594 WeakPolarHBondContact O-CB 3.44Å; I591-L594 PolarHBondContact O-N 2.73Å; L594-F596 PolarHBondContact O-N 2.8Å; L594-C597 CarbonylContact O-C 3.5Å; L594-C597 PolarHBondContact O-N 2.94Å; L594-C597 VanDerWaalsContact O-N 3.12Å; L594-C598 PolarHBondContact O-N 3.11Å; L594-C598 PolarHBondContact O-SG 2.83Å
595L42.5Very low40.3Very low11 Ų1182.1 Ų82.16%0.05843%0.426CS..Hα-helixtrans-60.4-42.1176.1-66.6169.6000111.8W149 Y231 F232 I591 C598 W599W149-L595 HydrophobicContact CZ2-CB 4.48Å; Y231-L595 HydrophobicContact CD1-CD2 4.02Å; Y231-L595 HydrophobicContact CE1-CD2 3.65Å; F232-L595 HydrophobicContact CD1-CB 4.5Å; F232-L595 HydrophobicContact CD1-CD1 4.13Å; F232-L595 HydrophobicContact CD1-CD2 3.86Å; F232-L595 HydrophobicContact CD1-CG 4.39Å; F232-L595 HydrophobicContact CE1-CB 4.4Å; F232-L595 HydrophobicContact CE1-CD2 4.18Å; I591-L595 HydrophobicContact CG2-CD1 3.89Å; I591-L595 HydrophobicContact CG2-CG 4.2Å; I591-L595 WeakPolarHBondContact O-CG 3.17Å; I591-L595 PolarHBondContact O-N 3.15Å; L595-C598 PolarHBondContact O-N 3.24Å; L595-W599 VanDerWaalsContact O-CB 3.28Å; L595-W599 WeakPolarHBondContact O-CB 3.45Å; L595-W599 PolarHBondContact O-N 2.66Å
596F40.7Very low40.8Very low85 Ų8575.5 Ų75.537%0.37339%0.393SS..Hα-helixtrans-59.2-50.7169.7-171.6-75.8000111.9W149 S592 L594 C598 W599 F600W149-F596 AromaticContact CD1-CD2 3.42Å; W149-F596 VanDerWaalsContact CD1-CD2 3.42Å; W149-F596 HydrophobicContact CG-CD2 4.45Å; S592-F596 PolarHBondContact O-N 3Å; L594-F596 PolarHBondContact O-N 2.8Å; F596-C598 PolarHBondContact O-N 3.13Å; F596-C598 VanDerWaalsContact O-N 3.15Å; F596-W599 PolarHBondContact O-N 3.16Å; F596-F600 HydrophobicContact CD1-CB 4.34Å; F596-F600 HydrophobicContact CE1-CB 4.11Å; F596-F600 AromaticContact CE1-CD2 3.9Å; F596-F600 HydrophobicContact CE1-CD2 3.9Å; F596-F600 HydrophobicContact CE1-CG 4.05Å; F596-F600 AromaticContact CZ-CD2 3.86Å; F596-F600 HydrophobicContact CZ-CD2 3.86Å; F596-F600 HydrophobicContact CZ-CE2 4.26Å; F596-F600 HydrophobicContact CZ-CG 4.47Å; F596-F600 VanDerWaalsContact O-CB 3.28Å; F596-F600 WeakPolarHBondContact O-CB 3.3Å; F596-F600 PolarHBondContact O-N 3.01Å
597C34.1Very low41.1Very low82 Ų8276.9 Ų76.955%0.55439%0.393SS*.Hα-helixtrans-65.8-13-179.1-76.60000114.9R593 L594 P601R593-C597 WeakPolarHBondContact O-CB 3.48Å; R593-C597 PolarHBondContact O-N 3.4Å; R593-C597 PolarHBondContact O-SG 3.11Å; R593-C597 VanDerWaalsContact O-SG 3.33Å; L594-C597 CarbonylContact O-C 3.5Å; L594-C597 PolarHBondContact O-N 2.94Å; L594-C597 VanDerWaalsContact O-N 3.12Å; C597-P601 WeakPolarHBondContact O-CD 3.49Å; C597-P601 WeakPolarHBondContact O-CG 3.43Å
598C40.8Very low41.1Very low53 Ų5380.1 Ų80.136%0.35840%0.4SS..Hα-helixtrans-104.1-33.2173.1-65.30000113.2Y231 L594 L595 F596 P601 W602Y231-C598 WeakPolarHBondContact OH-CB 3.5Å; L594-C598 PolarHBondContact O-N 3.11Å; L594-C598 PolarHBondContact O-SG 2.83Å; L595-C598 PolarHBondContact O-N 3.24Å; F596-C598 PolarHBondContact O-N 3.13Å; F596-C598 VanDerWaalsContact O-N 3.15Å; C598-P601 WeakPolarHBondContact O-CD 3.39Å; C598-W602 PolarHBondContact O-N 2.95Å
599W51.8Low41.3Very low8 Ų877 Ų773%0.0339%0.386CS..Hα-helixtrans-66.4-40.2171.5-176.8-104.2000112.3W149 M180 K188 Y228 F232 L595 F596 W602 M603W149-W599 AromaticContact CD1-CD1 3.9Å; W149-W599 AromaticContact CG-CD1 3.68Å; W149-W599 HydrophobicContact CG-CG 4.33Å; M180-W599 HydrophobicContact CE-CH2 3.96Å; M180-W599 HydrophobicContact SD-CH2 3.8Å; K188-W599 HydrophobicContact CD-CH2 3.86Å; K188-W599 HydrophobicContact CD-CZ2 3.69Å; K188-W599 HydrophobicContact CD-CZ3 4.38Å; Y228-W599 HydrophobicContact CE1-CH2 4.49Å; Y228-W599 HydrophobicContact CE1-CZ3 4.09Å; F232-W599 AromaticContact CZ-CE3 3.94Å; F232-W599 HydrophobicContact CZ-CE3 3.94Å; F232-W599 HydrophobicContact CZ-CZ3 4.41Å; L595-W599 VanDerWaalsContact O-CB 3.28Å; L595-W599 WeakPolarHBondContact O-CB 3.45Å; L595-W599 PolarHBondContact O-N 2.66Å; F596-W599 PolarHBondContact O-N 3.16Å; W599-W602 AromaticContact CE3-CE3 3.97Å; W599-W602 HydrophobicContact CE3-CE3 3.97Å; W599-W602 HydrophobicContact CE3-CZ3 4.36Å; W599-W602 HydrophobicContact CH2-CE3 4.45Å; W599-W602 AromaticContact CZ3-CE3 3.64Å; W599-W602 HydrophobicContact CZ3-CE3 3.64Å; W599-W602 AromaticContact CZ3-CZ3 3.74Å; W599-W602 HydrophobicContact CZ3-CZ3 3.74Å; W599-W602 VanDerWaalsContact O-CB 3.27Å; W599-W602 WeakPolarHBondContact O-CB 3.45Å; W599-W602 PolarHBondContact O-N 3.38Å; W599-W602 VanDerWaalsContact O-N 3.15Å; W599-M603 VanDerWaalsContact NE1-CE 3.25Å; W599-M603 PolarHBondContact O-N 2.89Å
600F42.5Very low41.4Very low99 Ų9981.3 Ų81.343%0.43442%0.415SS..Hα-helixtrans-65.6-43.5-175.7-158.7-98.4000113.1F596 W602 M603 L604F596-F600 HydrophobicContact CD1-CB 4.34Å; F596-F600 HydrophobicContact CE1-CB 4.11Å; F596-F600 AromaticContact CE1-CD2 3.9Å; F596-F600 HydrophobicContact CE1-CD2 3.9Å; F596-F600 HydrophobicContact CE1-CG 4.05Å; F596-F600 AromaticContact CZ-CD2 3.86Å; F596-F600 HydrophobicContact CZ-CD2 3.86Å; F596-F600 HydrophobicContact CZ-CE2 4.26Å; F596-F600 HydrophobicContact CZ-CG 4.47Å; F596-F600 VanDerWaalsContact O-CB 3.28Å; F596-F600 WeakPolarHBondContact O-CB 3.3Å; F596-F600 PolarHBondContact O-N 3.01Å; F600-W602 VanDerWaalsContact C-N 3.34Å; F600-W602 PolarHBondContact O-N 3.4Å; F600-M603 PolarHBondContact O-N 3.34Å; F600-L604 HydrophobicContact CD1-CD1 3.66Å; F600-L604 HydrophobicContact CD1-CG 4.34Å; F600-L604 HydrophobicContact CE1-CD1 3.72Å; F600-L604 HydrophobicContact CE1-CG 4.32Å; F600-L604 WeakPolarHBondContact O-CB 3.44Å; F600-L604 WeakPolarHBondContact O-CG 3.48Å; F600-L604 PolarHBondContact O-N 3.13Å
601P43.9Very low41.4Very low72 Ų7282 Ų8247%0.46841%0.412SS..Hα-helixtrans-64.7-31.3169.2-23.935.7000114.3C597 C598 R605C597-P601 WeakPolarHBondContact O-CD 3.49Å; C597-P601 WeakPolarHBondContact O-CG 3.43Å; C598-P601 WeakPolarHBondContact O-CD 3.39Å; P601-R605 WeakPolarHBondContact O-CB 3.45Å; P601-R605 PolarHBondContact O-N 3.14Å
602W51.1Low41.5Very low54 Ų5482 Ų8221%0.20541%0.412CS..Hα-helixtrans-63.7-47.8173.7-116.645000110.9T221 M223 Y228 D256 C598 W599 F600 R605 A606T221-W602 HydrophobicContact CG2-CD2 3.95Å; T221-W602 HydrophobicContact CG2-CE3 4.12Å; T221-W602 HydrophobicContact CG2-CH2 3.61Å; T221-W602 HydrophobicContact CG2-CZ2 3.36Å; T221-W602 HydrophobicContact CG2-CZ3 3.96Å; T221-W602 WeakPolarHBondContact OG1-CH2 3.4Å; M223-W602 HydrophobicContact CE-CH2 3.96Å; M223-W602 HydrophobicContact CE-CZ2 4.38Å; M223-W602 HydrophobicContact SD-CH2 3.59Å; M223-W602 VanDerWaalsContact SD-CH2 3.59Å; M223-W602 HydrophobicContact SD-CZ2 3.6Å; M223-W602 VanDerWaalsContact SD-CZ2 3.6Å; Y228-W602 HydrophobicContact CE1-CH2 4.21Å; Y228-W602 AromaticContact CE1-CZ3 3.75Å; Y228-W602 HydrophobicContact CE1-CZ3 3.75Å; Y228-W602 HydrophobicContact CE2-CH2 4.39Å; Y228-W602 AromaticContact CZ-CH2 3.88Å; Y228-W602 AromaticContact CZ-CZ3 3.68Å; Y228-W602 WeakPolarHBondContact OH-CZ3 3.3Å; D256-W602 PolarHBondContact OD2-NE1 3.22Å; C598-W602 PolarHBondContact O-N 2.95Å; W599-W602 AromaticContact CE3-CE3 3.97Å; W599-W602 HydrophobicContact CE3-CE3 3.97Å; W599-W602 HydrophobicContact CE3-CZ3 4.36Å; W599-W602 HydrophobicContact CH2-CE3 4.45Å; W599-W602 AromaticContact CZ3-CE3 3.64Å; W599-W602 HydrophobicContact CZ3-CE3 3.64Å; W599-W602 AromaticContact CZ3-CZ3 3.74Å; W599-W602 HydrophobicContact CZ3-CZ3 3.74Å; W599-W602 VanDerWaalsContact O-CB 3.27Å; W599-W602 WeakPolarHBondContact O-CB 3.45Å; W599-W602 PolarHBondContact O-N 3.38Å; W599-W602 VanDerWaalsContact O-N 3.15Å; F600-W602 VanDerWaalsContact C-N 3.34Å; F600-W602 PolarHBondContact O-N 3.4Å; W602-R605 PolarHBondContact O-N 2.95Å; W602-A606 PolarHBondContact O-N 2.81Å; W602-A606 VanDerWaalsContact O-N 3.15Å
603M50.8Low41.7Very low50 Ų5085.6 Ų85.625%0.24643%0.428CS..Hα-helixtrans-61.6-50.6176.5-171.1-174.1-5900111.3R147 W599 F600 R605 A606 E607R147-M603 VanDerWaalsContact O-CE 3.27Å; R147-M603 WeakPolarHBondContact O-CE 3.16Å; W599-M603 VanDerWaalsContact NE1-CE 3.25Å; W599-M603 PolarHBondContact O-N 2.89Å; F600-M603 PolarHBondContact O-N 3.34Å; M603-R605 PolarHBondContact O-N 3.49Å; M603-A606 PolarHBondContact O-N 2.98Å; M603-A606 VanDerWaalsContact O-N 3.16Å; M603-E607 PolarHBondContact O-N 3.3Å
604L39.9Very low41.9Very low70 Ų7080.8 Ų80.837%0.36642%0.416SS..Hα-helixtrans-57.8-35.2175.3-76.2168.4000112.4F600 E607 M608F600-L604 HydrophobicContact CD1-CD1 3.66Å; F600-L604 HydrophobicContact CD1-CG 4.34Å; F600-L604 HydrophobicContact CE1-CD1 3.72Å; F600-L604 HydrophobicContact CE1-CG 4.32Å; F600-L604 WeakPolarHBondContact O-CB 3.44Å; F600-L604 WeakPolarHBondContact O-CG 3.48Å; F600-L604 PolarHBondContact O-N 3.13Å; L604-E607 PolarHBondContact O-N 3.21Å; L604-M608 VanDerWaalsContact O-CB 3.3Å; L604-M608 WeakPolarHBondContact O-CB 3.48Å; L604-M608 WeakPolarHBondContact O-CG 3.45Å; L604-M608 PolarHBondContact O-N 3.44Å
605R42.2Very low42.1Very low155 Ų15579.9 Ų79.959%0.58541%0.411SS*.Hα-helixtrans-71.4-32.8179.2-166.8178.9-158.9178.56.6112.8P601 W602 M603 Q609P601-R605 WeakPolarHBondContact O-CB 3.45Å; P601-R605 PolarHBondContact O-N 3.14Å; W602-R605 PolarHBondContact O-N 2.95Å; M603-R605 PolarHBondContact O-N 3.49Å; R605-Q609 WeakPolarHBondContact O-CB 3.43Å; R605-Q609 VanDerWaalsContact O-CG 3.32Å; R605-Q609 WeakPolarHBondContact O-CG 3.05Å
606A43.8Very low42.1Very low8 Ų884.5 Ų84.57%0.06644%0.435CS..Hα-helixtrans-70-45.5170.800000111L177 W602 M603 M608 Q609 S610L177-A606 HydrophobicContact CD1-CB 4.35Å; L177-A606 HydrophobicContact CG-CB 4.38Å; W602-A606 PolarHBondContact O-N 2.81Å; W602-A606 VanDerWaalsContact O-N 3.15Å; M603-A606 PolarHBondContact O-N 2.98Å; M603-A606 VanDerWaalsContact O-N 3.16Å; A606-M608 VanDerWaalsContact C-N 3.34Å; A606-M608 PolarHBondContact O-N 3.24Å; A606-Q609 PolarHBondContact O-N 3.08Å; A606-Q609 VanDerWaalsContact O-N 3.11Å; A606-S610 PolarHBondContact O-N 3.49Å
607E40.5Very low42.2Very low117 Ų11784.4 Ų84.455%0.54744%0.439SS..Hα-helixtrans-66.2-30.8179.8-171173.4-143.300113.4M603 L604 Q609 S610M603-E607 PolarHBondContact O-N 3.3Å; L604-E607 PolarHBondContact O-N 3.21Å; E607-Q609 VanDerWaalsContact C-N 3.3Å; E607-Q609 PolarHBondContact O-N 3.02Å; E607-S610 PolarHBondContact O-OG 2.66Å
608M34Very low42.8Very low160 Ų16084.6 Ų84.679%0.78843%0.43SS*.THydrogen-bonded Turntrans-84.24.9173.6-66.7-173.188.600114.1L604 A606L604-M608 VanDerWaalsContact O-CB 3.3Å; L604-M608 WeakPolarHBondContact O-CB 3.48Å; L604-M608 WeakPolarHBondContact O-CG 3.45Å; L604-M608 PolarHBondContact O-N 3.44Å; A606-M608 VanDerWaalsContact C-N 3.34Å; A606-M608 PolarHBondContact O-N 3.24Å
609Q38.2Very low43Very low118 Ų11887.3 Ų87.355%0.55144%0.436SS*.  trans-127.53.6179.6-67-169-600114.4W220 R605 A606 E607W220-Q609 HydrophobicContact CH2-CB 4.29Å; W220-Q609 HydrophobicContact CZ3-CB 4.39Å; R605-Q609 WeakPolarHBondContact O-CB 3.43Å; R605-Q609 VanDerWaalsContact O-CG 3.32Å; R605-Q609 WeakPolarHBondContact O-CG 3.05Å; A606-Q609 PolarHBondContact O-N 3.08Å; A606-Q609 VanDerWaalsContact O-N 3.11Å; E607-Q609 VanDerWaalsContact C-N 3.3Å; E607-Q609 PolarHBondContact O-N 3.02Å
610S37.2Very low42.2Very low136 Ų13694.5 Ų94.595%0.95147%0.473SS*.  trans-96.30168.462.20000112A606 E607A606-S610 PolarHBondContact O-N 3.49Å; E607-S610 PolarHBondContact O-OG 2.66Å

Retrieved 610 of 610 residues in 156.6 ms (Link to these results)

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