G4V6S7_SCHMA Loading...

HIT-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession G4V6S7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 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
1M60.1Low63Low201 Ų201136.9 Ų136.999%0.9965%0.652SS**  0-41.60-71.1-68.3-94.600111.4K3 R4M1-K3 PolarHBondContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.49Å
2E68.4Low63.4Low151 Ų151132.8 Ų132.871%0.70663%0.626SS**Hα-helixtrans-54.5-43.8-176.3-63.3169.8153.700115.6R4 E5 L6E2-R4 PolarHBondContact O-N 3.37Å; E2-R4 VanDerWaalsContact O-N 3.14Å; E2-E5 PolarHBondContact O-N 3.3Å; E2-E5 VanDerWaalsContact O-N 3.08Å; E2-L6 WeakPolarHBondContact O-CG 3.36Å; E2-L6 PolarHBondContact O-N 3.05Å
3K67.8Low64.1Low171 Ų171136.7 Ų136.774%0.74363%0.631SS**Hα-helixtrans-58.8-32.3-179.2-165.9175.2-176.3177.60112.9M1 L7M1-K3 PolarHBondContact O-N 3.08Å; K3-L7 WeakPolarHBondContact O-CD1 3.48Å; K3-L7 WeakPolarHBondContact O-CG 3.3Å; K3-L7 PolarHBondContact O-N 3.32Å
4R66.5Low64.6Low193 Ų193133.7 Ų133.773%0.72863%0.63SS**Hα-helixtrans-77.4-32.9-179.8-151.4176.5-179.1179-0.2111.6M1 E2 R8M1-R4 PolarHBondContact O-N 3.49Å; E2-R4 PolarHBondContact O-N 3.37Å; E2-R4 VanDerWaalsContact O-N 3.14Å; R4-R8 PolarHBondContact O-N 3.08Å
5E63.1Low65.2Low128 Ų128127.5 Ų127.560%0.59860%0.602SS**Hα-helixtrans-72.3-42.3173.3-69.7-176.7151.500111.6E2 L7 R8 E9E2-E5 PolarHBondContact O-N 3.3Å; E2-E5 VanDerWaalsContact O-N 3.08Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.49Å; E5-R8 CarbonylContact O-C 3.59Å; E5-R8 WeakPolarHBondContact O-CB 3.45Å; E5-R8 PolarHBondContact O-N 2.81Å; E5-R8 VanDerWaalsContact O-N 3.09Å; E5-E9 PolarHBondContact O-N 3.48Å
6L62.1Low66.4Low125 Ų125127.3 Ų127.365%0.65461%0.606SS**Hα-helixtrans-61-38.1175.1-69.8174.7000112.5E2 E9 A10E2-L6 WeakPolarHBondContact O-CG 3.36Å; E2-L6 PolarHBondContact O-N 3.05Å; L6-E9 PolarHBondContact O-N 3.41Å; L6-A10 WeakPolarHBondContact O-CB 3.49Å; L6-A10 PolarHBondContact O-N 3.41Å
7L61.6Low67.3Low113 Ų113126.9 Ų126.959%0.59261%0.608SS**Hα-helixtrans-64.4-41.7173.1-78.1161.3000111.9K3 E5 A10 T11K3-L7 WeakPolarHBondContact O-CD1 3.48Å; K3-L7 WeakPolarHBondContact O-CG 3.3Å; K3-L7 PolarHBondContact O-N 3.32Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.49Å; L7-A10 PolarHBondContact O-N 3.45Å; L7-T11 WeakPolarHBondContact O-CG2 3.34Å; L7-T11 PolarHBondContact O-N 3.44Å
8R60.8Low68.3Low160 Ų160122.6 Ų122.660%0.60460%0.597SS**Hα-helixtrans-63.9-40.5174-82.1-179.6168.6176.2-5.6111.6R4 E5 T11 R12R4-R8 PolarHBondContact O-N 3.08Å; E5-R8 CarbonylContact O-C 3.59Å; E5-R8 WeakPolarHBondContact O-CB 3.45Å; E5-R8 PolarHBondContact O-N 2.81Å; E5-R8 VanDerWaalsContact O-N 3.09Å; R8-T11 PolarHBondContact O-N 3.25Å; R8-T11 PolarHBondContact O-OG1 3.46Å; R8-R12 WeakPolarHBondContact O-CG 3.44Å; R8-R12 PolarHBondContact O-N 3.4Å
9E60.9Low69.1Low112 Ų112116.9 Ų116.952%0.52357%0.572SS.*Hα-helixtrans-70.3-36.5178.7-162.156.4-148.700111.9E5 L6 T11 R12E5-E9 PolarHBondContact O-N 3.48Å; L6-E9 PolarHBondContact O-N 3.41Å; E9-T11 PolarHBondContact O-N 3.06Å; E9-R12 WeakPolarHBondContact O-CB 3.33Å; E9-R12 PolarHBondContact O-N 3.27Å; E9-R12 IonicContact OE2-NH1 3.22Å
10A59.8Low69.7Low49 Ų49113.7 Ų113.741%0.40556%0.555SS.*Hα-helixtrans-60.8-33.1172.300000112.5L6 L7 R12 R13L6-A10 WeakPolarHBondContact O-CB 3.49Å; L6-A10 PolarHBondContact O-N 3.41Å; L7-A10 PolarHBondContact O-N 3.45Å; A10-R12 PolarHBondContact O-N 2.89Å; A10-R13 WeakPolarHBondContact O-CG 3.39Å
11T62.4Low70.4Confident103 Ų103112.7 Ų112.763%0.63255%0.549SS*.THydrogen-bonded Turntrans-73.8-11.6174.3600000114.3L7 R8 E9L7-T11 WeakPolarHBondContact O-CG2 3.34Å; L7-T11 PolarHBondContact O-N 3.44Å; R8-T11 PolarHBondContact O-N 3.25Å; R8-T11 PolarHBondContact O-OG1 3.46Å; E9-T11 PolarHBondContact O-N 3.06Å
12R67.9Low71.6Confident88 Ų88110.8 Ų110.833%0.33253%0.531SS..THydrogen-bonded Turntrans-97.35.9-178.7-69.3174.3177.3-170.1-2.1114.2R8 E9 A10 P14 V130R8-R12 WeakPolarHBondContact O-CG 3.44Å; R8-R12 PolarHBondContact O-N 3.4Å; E9-R12 WeakPolarHBondContact O-CB 3.33Å; E9-R12 PolarHBondContact O-N 3.27Å; E9-R12 IonicContact OE2-NH1 3.22Å; A10-R12 PolarHBondContact O-N 2.89Å; R12-P14 WeakPolarHBondContact O-CD 3.36Å; R12-V130 HydrophobicContact CB-CG2 4.47Å
13R71.5Confident72.3Confident183 Ų183109 Ų10969%0.69152%0.517SS*.PPolyproline II helixtrans-54.7124.3176.5-72.3179.3-177.5-164.51.2110.1A10 L15A10-R13 WeakPolarHBondContact O-CG 3.39Å; R13-L15 PolarHBondContact O-N 3.47Å
14P71Confident73Confident95 Ų95106.9 Ų106.962%0.61751%0.51SS*.PPolyproline II helixtrans-54.1132.6174.7-24.533.3000110R12 I129R12-P14 WeakPolarHBondContact O-CD 3.36Å; P14-I129 HydrophobicContact CG-CD1 4.43Å
15L74.3Confident74Confident40 Ų40105.2 Ų105.221%0.20950%0.504CS..PPolyproline II helixtrans-89.8143.9172.1-63.7173.3000109.3R13 A19 K20 V130 M150R13-L15 PolarHBondContact O-N 3.47Å; L15-A19 HydrophobicContact CB-CB 4.38Å; L15-K20 HydrophobicContact CB-CG 4.16Å; L15-K20 WeakPolarHBondContact O-CE 3.34Å; L15-K20 PolarHBondContact O-NZ 3.47Å; L15-K20 VanDerWaalsContact O-NZ 3.12Å; L15-V130 WeakPolarHBondContact CD1-O 3.47Å; L15-M150 HydrophobicContact CD1-SD 4.3Å
16D83.7Confident75.2Confident125 Ų125106.1 Ų106.167%0.66851%0.506SS*.PPolyproline II helixtrans-59.5147.9170.2-52.8-33.3000110.3A18 A19 K20D16-A18 PolarHBondContact O-N 3.19Å; D16-A19 WeakPolarHBondContact O-CA 3.45Å; D16-A19 WeakPolarHBondContact O-CB 3.34Å; D16-A19 PolarHBondContact O-N 2.77Å; D16-K20 PolarHBondContact O-N 3.13Å; D16-K20 VanDerWaalsContact O-N 3.09Å
17D82.4Confident76.1Confident120 Ų120101.6 Ų101.664%0.64248%0.483SS*.Hα-helixtrans-61.8-34.6-176.4-68.3-26.6000112.2A19 K20 E21D17-A19 VanDerWaalsContact C-N 3.27Å; D17-A19 PolarHBondContact O-N 3.06Å; D17-K20 WeakPolarHBondContact O-CB 3.4Å; D17-K20 PolarHBondContact O-N 3.11Å; D17-K20 IonicContact OD1-NZ 3.32Å; D17-K20 PolarHBondContact OD1-NZ 3.19Å; D17-E21 PolarHBondContact O-N 3.42Å
18A85.5Confident77.3Confident49 Ų49100.3 Ų100.341%0.40548%0.477SS..Hα-helixtrans-60.7-35.3171.700000112.6D16 R22D16-A18 PolarHBondContact O-N 3.19Å; A18-R22 WeakPolarHBondContact O-CB 2.95Å; A18-R22 VanDerWaalsContact O-CG 3.31Å; A18-R22 WeakPolarHBondContact O-CG 3.48Å; A18-R22 PolarHBondContact O-N 3.4Å
19A83.7Confident78.5Confident16 Ų1695 Ų9513%0.13246%0.464CS..Hα-helixtrans-72.6-36.8177.100000111.7L15 D16 D17 R23L15-A19 HydrophobicContact CB-CB 4.38Å; D16-A19 WeakPolarHBondContact O-CA 3.45Å; D16-A19 WeakPolarHBondContact O-CB 3.34Å; D16-A19 PolarHBondContact O-N 2.77Å; D17-A19 VanDerWaalsContact C-N 3.27Å; D17-A19 PolarHBondContact O-N 3.06Å; A19-R23 WeakPolarHBondContact O-CG 3.31Å; A19-R23 PolarHBondContact O-N 2.79Å
20K80.3Confident79.5Confident52 Ų5293.9 Ų93.923%0.22646%0.462CS..Hα-helixtrans-63-47.2173.4-63.5176.5-166.5140.40110.9L15 D16 D17 R23 Q24L15-K20 HydrophobicContact CB-CG 4.16Å; L15-K20 WeakPolarHBondContact O-CE 3.34Å; L15-K20 PolarHBondContact O-NZ 3.47Å; L15-K20 VanDerWaalsContact O-NZ 3.12Å; D16-K20 PolarHBondContact O-N 3.13Å; D16-K20 VanDerWaalsContact O-N 3.09Å; D17-K20 WeakPolarHBondContact O-CB 3.4Å; D17-K20 PolarHBondContact O-N 3.11Å; D17-K20 IonicContact OD1-NZ 3.32Å; D17-K20 PolarHBondContact OD1-NZ 3.19Å; K20-R23 PolarHBondContact O-N 2.8Å; K20-Q24 PolarHBondContact O-N 2.65Å
21E84.9Confident80.6Confident93 Ų9396.6 Ų96.644%0.43547%0.469SS..Hα-helixtrans-63-45179.6-170.8-179.9179.100112D17 R23 Q24 R25D17-E21 PolarHBondContact O-N 3.42Å; E21-R23 VanDerWaalsContact C-N 3.26Å; E21-R23 PolarHBondContact O-N 3.04Å; E21-Q24 PolarHBondContact O-N 3.13Å; E21-Q24 VanDerWaalsContact O-N 3.17Å; E21-R25 WeakPolarHBondContact O-CG 3.34Å; E21-R25 PolarHBondContact O-N 2.78Å; E21-R25 IonicContact OE1-CZ 3.75Å; E21-R25 IonicContact OE1-NE 3.67Å; E21-R25 PolarHBondContact OE1-NE 3.25Å; E21-R25 IonicContact OE1-NH2 2.68Å; E21-R25 PolarHBondContact OE1-NH2 2.87Å
22R86Confident81.4Confident160 Ų16098.3 Ų98.360%0.60447%0.469SS*.Hα-helixtrans-55.9-41.8175.1-78.8-172.9-66.1-104.53.8112.4A18 K26A18-R22 WeakPolarHBondContact O-CB 2.95Å; A18-R22 VanDerWaalsContact O-CG 3.31Å; A18-R22 WeakPolarHBondContact O-CG 3.48Å; A18-R22 PolarHBondContact O-N 3.4Å; R22-K26 PolarHBondContact O-N 2.66Å
23R81.7Confident81.7Confident113 Ų11399.8 Ų99.843%0.42648%0.48SS..Hα-helixtrans-67.2-44.2177.7-72.4176-176.4-169.72111.4A19 K20 E21 R25 K26 T27 M150A19-R23 WeakPolarHBondContact O-CG 3.31Å; A19-R23 PolarHBondContact O-N 2.79Å; K20-R23 PolarHBondContact O-N 2.8Å; E21-R23 VanDerWaalsContact C-N 3.26Å; E21-R23 PolarHBondContact O-N 3.04Å; R23-R25 VanDerWaalsContact C-N 3.35Å; R23-R25 PolarHBondContact O-N 2.64Å; R23-K26 PolarHBondContact O-N 3.46Å; R23-T27 PolarHBondContact O-N 2.87Å; R23-T27 PolarHBondContact O-OG1 3.47Å; R23-M150 PolarHBondContact NH1-SD 3.2Å
24Q82.3Confident81.5Confident127 Ų12798 Ų9859%0.59348%0.484SS*.Hα-helixtrans-59-46.1176.4-174.7179-2.400111.5K20 E21 K26 T27 L28K20-Q24 PolarHBondContact O-N 2.65Å; E21-Q24 PolarHBondContact O-N 3.13Å; E21-Q24 VanDerWaalsContact O-N 3.17Å; Q24-K26 PolarHBondContact O-N 2.89Å; Q24-T27 PolarHBondContact O-N 3.13Å; Q24-L28 WeakPolarHBondContact O-CG 3.4Å; Q24-L28 PolarHBondContact O-N 3.3Å
25R88.1Confident81.1Confident159 Ų159100.2 Ų100.260%0.649%0.491SS*.Hα-helixtrans-60.9-42.9176.1-70.2-177.4-173.8-163.72.3112.2E21 R23 T27 L28 S29E21-R25 WeakPolarHBondContact O-CG 3.34Å; E21-R25 PolarHBondContact O-N 2.78Å; E21-R25 IonicContact OE1-CZ 3.75Å; E21-R25 IonicContact OE1-NE 3.67Å; E21-R25 PolarHBondContact OE1-NE 3.25Å; E21-R25 IonicContact OE1-NH2 2.68Å; E21-R25 PolarHBondContact OE1-NH2 2.87Å; R23-R25 VanDerWaalsContact C-N 3.35Å; R23-R25 PolarHBondContact O-N 2.64Å; R25-T27 VanDerWaalsContact C-N 3.32Å; R25-T27 PolarHBondContact O-N 2.89Å; R25-L28 PolarHBondContact O-N 2.75Å; R25-S29 WeakPolarHBondContact O-CB 3.42Å; R25-S29 PolarHBondContact O-N 3.17Å
26K87.4Confident80.4Confident147 Ų147103.4 Ų103.464%0.63950%0.504SS*.Hα-helixtrans-61-41.6175.3-175.6177.3179.4178.60111.8R22 R23 Q24 S29 L30R22-K26 PolarHBondContact O-N 2.66Å; R23-K26 PolarHBondContact O-N 3.46Å; Q24-K26 PolarHBondContact O-N 2.89Å; K26-S29 PolarHBondContact O-N 2.69Å; K26-L30 HydrophobicContact CG-CD1 4.46Å; K26-L30 WeakPolarHBondContact O-CG 3.42Å; K26-L30 PolarHBondContact O-N 3.3Å
27T82.3Confident79.3Confident29 Ų29104.4 Ų104.418%0.17851%0.508CS..Hα-helixtrans-63-46.1176.3-630000111.7R23 Q24 R25 S29 L30 L31 W152R23-T27 PolarHBondContact O-N 2.87Å; R23-T27 PolarHBondContact O-OG1 3.47Å; Q24-T27 PolarHBondContact O-N 3.13Å; R25-T27 VanDerWaalsContact C-N 3.32Å; R25-T27 PolarHBondContact O-N 2.89Å; T27-S29 VanDerWaalsContact C-N 3.31Å; T27-S29 PolarHBondContact O-N 2.96Å; T27-L30 PolarHBondContact O-N 3.11Å; T27-L31 HydrophobicContact CG2-CD1 4.2Å; T27-L31 WeakPolarHBondContact O-CG 3.27Å; T27-L31 PolarHBondContact O-N 3.45Å; T27-W152 HydrophobicContact CG2-CD2 4.47Å; T27-W152 HydrophobicContact CG2-CH2 4.26Å; T27-W152 HydrophobicContact CG2-CZ2 3.73Å
28L85.6Confident78.1Confident86 Ų86105.7 Ų105.745%0.4551%0.51SS..Hα-helixtrans-58.8-45.2176.2-68.8174.8000111.1Q24 R25 L30 L31 E32Q24-L28 WeakPolarHBondContact O-CG 3.4Å; Q24-L28 PolarHBondContact O-N 3.3Å; R25-L28 PolarHBondContact O-N 2.75Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 3.46Å; L28-L31 PolarHBondContact O-N 2.87Å; L28-E32 WeakPolarHBondContact O-CB 3.24Å; L28-E32 VanDerWaalsContact O-CG 3.28Å; L28-E32 WeakPolarHBondContact O-CG 3.4Å; L28-E32 PolarHBondContact O-N 3.47Å
29S86.2Confident76.6Confident48 Ų48110.4 Ų110.434%0.33652%0.524SS..Hα-helixtrans-60.6-38.2176.8178.60000113.3R25 K26 T27 E32 Q33R25-S29 WeakPolarHBondContact O-CB 3.42Å; R25-S29 PolarHBondContact O-N 3.17Å; K26-S29 PolarHBondContact O-N 2.69Å; T27-S29 VanDerWaalsContact C-N 3.31Å; T27-S29 PolarHBondContact O-N 2.96Å; S29-E32 PolarHBondContact O-N 2.98Å; S29-Q33 VanDerWaalsContact O-CG 3.28Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 2.81Å
30L83.1Confident75.1Confident90 Ų90114.6 Ų114.647%0.47155%0.55SS..Hα-helixtrans-67.2-42.1175.1-73.2170.8000112.2K26 T27 L28 E32 Q33 D34K26-L30 HydrophobicContact CG-CD1 4.46Å; K26-L30 WeakPolarHBondContact O-CG 3.42Å; K26-L30 PolarHBondContact O-N 3.3Å; T27-L30 PolarHBondContact O-N 3.11Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 3.46Å; L30-E32 VanDerWaalsContact C-N 3.26Å; L30-E32 PolarHBondContact O-N 3.17Å; L30-Q33 PolarHBondContact O-N 3.34Å; L30-D34 PolarHBondContact O-N 3.31Å
31L82.4Confident74Confident106 Ų106119.3 Ų119.356%0.55557%0.573SS**Hα-helixtrans-65.7-31.7176.2-69.6171.4000112.2T27 L28T27-L31 HydrophobicContact CG2-CD1 4.2Å; T27-L31 WeakPolarHBondContact O-CG 3.27Å; T27-L31 PolarHBondContact O-N 3.45Å; L28-L31 PolarHBondContact O-N 2.87Å
32E78.7Confident72.2Confident139 Ų139118.9 Ų118.965%0.6558%0.58SS**Hα-helixtrans-71-34.7174.3-73165.4-178.400111.6L28 S29 L30L28-E32 WeakPolarHBondContact O-CB 3.24Å; L28-E32 VanDerWaalsContact O-CG 3.28Å; L28-E32 WeakPolarHBondContact O-CG 3.4Å; L28-E32 PolarHBondContact O-N 3.47Å; S29-E32 PolarHBondContact O-N 2.98Å; L30-E32 VanDerWaalsContact C-N 3.26Å; L30-E32 PolarHBondContact O-N 3.17Å
33Q75.5Confident70.4Confident118 Ų118118 Ų11855%0.55159%0.587SS**Hα-helixtrans-73.9-33.9179.5-76.21725.300114.4S29 L30 N35 H36S29-Q33 VanDerWaalsContact O-CG 3.28Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 2.81Å; L30-Q33 PolarHBondContact O-N 3.34Å; Q33-N35 PolarHBondContact O-N 3.37Å; Q33-H36 VanDerWaalsContact O-CB 3.27Å; Q33-H36 WeakPolarHBondContact O-CB 3.28Å; Q33-H36 PolarHBondContact O-N 3.44Å
34D66.3Low69Low145 Ų145118.1 Ų118.178%0.77560%0.6SS**THydrogen-bonded Turntrans-64.2-13.9-175.4-108.313.6000113.9L30 H36L30-D34 PolarHBondContact O-N 3.31Å; D34-H36 VanDerWaalsContact C-N 3.27Å; D34-H36 PolarHBondContact O-N 3.46Å
35N63.2Low67.4Low142 Ų142120.5 Ų120.576%0.75961%0.608SS**THydrogen-bonded Turntrans-81-4.3172.5-69.6-47.6000113.6Q33 I37Q33-N35 PolarHBondContact O-N 3.37Å; N35-I37 PolarHBondContact O-N 2.9Å
36H59.5Low65.4Low107 Ų107116 Ų11650%0.49561%0.612SS.*  trans-9181.1-177.4-164.8-98.5000111.6Q33 D34 E38Q33-H36 VanDerWaalsContact O-CB 3.27Å; Q33-H36 WeakPolarHBondContact O-CB 3.28Å; Q33-H36 PolarHBondContact O-N 3.44Å; D34-H36 VanDerWaalsContact C-N 3.27Å; D34-H36 PolarHBondContact O-N 3.46Å; H36-E38 VanDerWaalsContact C-N 3.3Å; H36-E38 VanDerWaalsContact CE1-CB 3.45Å; H36-E38 WeakPolarHBondContact CE1-CB 3.28Å; H36-E38 WeakPolarHBondContact CE1-CG 3.27Å; H36-E38 IonicContact CE1-OE1 3.51Å; H36-E38 PolarHBondContact O-N 2.97Å; H36-E38 VanDerWaalsContact O-N 3.13Å
37I61.1Low63.9Low147 Ų147114.4 Ų114.475%0.75461%0.614SS**  trans-76.394.7155.2-57.3171.9000105.8N35 E39N35-I37 PolarHBondContact O-N 2.9Å; I37-E39 PolarHBondContact O-N 2.98Å
38E56Low62.3Low146 Ų146123 Ų12368%0.68265%0.649SS**  trans-63.395.6161-143.2174.9-130.800105.6H36H36-E38 VanDerWaalsContact C-N 3.3Å; H36-E38 VanDerWaalsContact CE1-CB 3.45Å; H36-E38 WeakPolarHBondContact CE1-CB 3.28Å; H36-E38 WeakPolarHBondContact CE1-CG 3.27Å; H36-E38 IonicContact CE1-OE1 3.51Å; H36-E38 PolarHBondContact O-N 2.97Å; H36-E38 VanDerWaalsContact O-N 3.13Å
39E53.7Low61Low149 Ų149129.9 Ų129.970%0.69667%0.669SS**  trans-46.6121.4174.2-111.4-100.3142.800106.4I37 H41I37-E39 PolarHBondContact O-N 2.98Å; E39-H41 PolarHBondContact O-N 2.91Å
40P54Low59.4Low103 Ų103132.6 Ų132.667%0.66969%0.686SS**  trans-54.4109.5-169-12.215.7000107.4S42P40-S42 PolarHBondContact O-N 3.11Å
41H56.5Low58.2Low152 Ų152136.5 Ų136.570%0.70470%0.701SS**  trans-53.1114.6168.9-105.263.2000104.5E39 D43E39-H41 PolarHBondContact O-N 2.91Å; H41-D43 PolarHBondContact O-N 3.29Å
42S47.2Very low56.5Low84 Ų84140.8 Ų140.859%0.58772%0.716SS**  trans-59.783.8-162.357.40000111.4P40 V44P40-S42 PolarHBondContact O-N 3.11Å; S42-V44 PolarHBondContact O-N 3.05Å
43D48.5Very low55.3Low141 Ų141137.3 Ų137.375%0.75472%0.717SS**  trans-7854.5151.5-84.9-16.9000107.4H41 K45H41-D43 PolarHBondContact O-N 3.29Å; D43-K45 PolarHBondContact O-N 2.91Å
44V51.9Low54.1Low115 Ų115139.5 Ų139.570%0.69773%0.733SS**  trans-69.977.1157.5-177.10000105.1S42 G46S42-V44 PolarHBondContact O-N 3.05Å; V44-G46 PolarHBondContact O-N 3.23Å
45K49.2Very low53.3Low177 Ų177141.1 Ų141.177%0.7774%0.736SS**  trans-62.683.7160.3-77.1178.6179.1172.20107D43 T47D43-K45 PolarHBondContact O-N 2.91Å; K45-T47 VanDerWaalsContact C-N 3.27Å; K45-T47 PolarHBondContact O-N 3.41Å
46G45.3Very low52.7Low65 Ų65142.1 Ų142.167%0.6774%0.741SS**  trans32.341.615200000119.1V44 K48V44-G46 PolarHBondContact O-N 3.23Å; G46-K48 PolarHBondContact O-N 3.19Å
47T55.5Low52.1Low114 Ų114144.1 Ų144.170%0.69976%0.755SS**  trans-75.1110.5166.454.70000107.3K45 R49K45-T47 VanDerWaalsContact C-N 3.27Å; K45-T47 PolarHBondContact O-N 3.41Å; T47-R49 PolarHBondContact O-N 2.98Å
48K49.5Very low51.2Low209 Ų209143 Ų14391%0.90976%0.755SS**  trans-4990.1-178.9-61.1170.7179.1177.50111G46G46-K48 PolarHBondContact O-N 3.19Å
49R57.4Low50.7Low230 Ų230140.9 Ų140.987%0.86876%0.757SS**  trans-103121.9163-95.2179.2156.1-122.7-1.6108T47 Q51T47-R49 PolarHBondContact O-N 2.98Å; R49-Q51 PolarHBondContact O-N 3.37Å
50P52.9Low50.2Low105 Ų105138.6 Ų138.668%0.68276%0.763SS**  trans-63.5123.8-179.9-16.228.7000110F52P50-F52 HydrophobicContact CB-CD2 4.19Å; P50-F52 HydrophobicContact CB-CE2 3.85Å; P50-F52 PolarHBondContact O-N 2.98Å
51Q57.1Low50Low172 Ų172138.4 Ų138.480%0.80476%0.756SS**  trans-88.9100.8171.2-171.1177.6-200107.6R49R49-Q51 PolarHBondContact O-N 3.37Å
52F48.6Very low49.7Very low197 Ų197137.6 Ų137.686%0.86476%0.757SS**  trans-82121.3166.6-73.6-89.7000108.1P50P50-F52 HydrophobicContact CB-CD2 4.19Å; P50-F52 HydrophobicContact CB-CE2 3.85Å; P50-F52 PolarHBondContact O-N 2.98Å
53G52.4Low49.9Very low65 Ų65143.2 Ų143.267%0.6777%0.771SS**  trans174.585.5-178.700000111.2
54D51.2Low50Low165 Ų165145.9 Ų145.988%0.88277%0.771SS**  trans29.2124.7161.8-62.7-36.6000120.9
55E48.2Very low50Low178 Ų178149.2 Ų149.283%0.83277%0.771SS**  trans-56.8127.9169.7-56.9174.4114.600110
56D50.3Low50.2Low164 Ų164148.5 Ų148.588%0.87777%0.768SS**  170.3141.5127.9-82.6-36.6000111.9
57D47Very low50.5Low148 Ų148153.6 Ų153.679%0.79177%0.771SS**  trans8683.6164.9-142.439.2000120.4
58V43.3Very low50.5Low124 Ų124155.4 Ų155.475%0.75277%0.77SS**  11138124.1-156.20000118.1
59S44.6Very low50.7Low102 Ų102153.8 Ų153.871%0.71376%0.758SS**  trans105.8105.9146.1-134.30000120N61S59-N61 PolarHBondContact O-N 3.47Å; S59-N61 VanDerWaalsContact O-N 3.08Å
60A43.6Very low50.7Low100 Ų100147.2 Ų147.283%0.82674%0.739SS**SBendtrans65.48.4135.800000122.9
61N50.5Low50.9Low99 Ų99145.3 Ų145.353%0.52973%0.728SS.*  trans-116.117.8-176.7-102.7-35.2000117.5S59 K63 R64 R65S59-N61 PolarHBondContact O-N 3.47Å; S59-N61 VanDerWaalsContact O-N 3.08Å; N61-K63 VanDerWaalsContact C-N 3.3Å; N61-K63 PolarHBondContact O-N 3.49Å; N61-K63 VanDerWaalsContact O-N 3.08Å; N61-R64 PolarHBondContact O-N 2.9Å; N61-R65 PolarHBondContact O-N 3.24Å
62N49.9Very low50.7Low136 Ų136141.8 Ų141.873%0.72771%0.714SS**Hα-helixtrans-63.4-20.1-167.4-88-18.7000116.8
63K52Low51.1Low202 Ų202137.2 Ų137.288%0.87870%0.698SS**Hα-helixtrans-80.3-27.8174.5-69.9-178.1-179.3175.40113.2N61N61-K63 VanDerWaalsContact C-N 3.3Å; N61-K63 PolarHBondContact O-N 3.49Å; N61-K63 VanDerWaalsContact O-N 3.08Å
64R50.4Low51.2Low197 Ų197143.8 Ų143.874%0.74370%0.702SS**Hα-helixtrans-80.9-35.1178.7-79.9-179.2157.8-170.6-5.4112.6N61 K66 K67 K68N61-R64 PolarHBondContact O-N 2.9Å; R64-K66 PolarHBondContact O-N 3.37Å; R64-K67 PolarHBondContact O-N 3.45Å; R64-K68 PolarHBondContact O-N 3.34Å
65R51.6Low51.4Low184 Ų184139.9 Ų139.969%0.69469%0.693SS**Hα-helixtrans-65.2-36.6178.1-91.9179.6146.8-177.7-2.2113.6N61 K67 K68 R69N61-R65 PolarHBondContact O-N 3.24Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 3.3Å; R65-K68 PolarHBondContact O-N 3.04Å; R65-R69 PolarHBondContact O-N 3.47Å
66K52.8Low51.7Low163 Ų163141.8 Ų141.871%0.70969%0.693SS**Hα-helixtrans-66.6-35.1179.6-149.7171.4-174.9177.30112.4R64 R69 I70R64-K66 PolarHBondContact O-N 3.37Å; K66-R69 PolarHBondContact O-N 2.97Å; K66-I70 PolarHBondContact O-N 3.41Å
67K53Low52.1Low172 Ų172137.1 Ų137.175%0.74867%0.672SS**Hα-helixtrans-69.2-34.5176.8-144.7168.8-175.4176.80112.4R64 R65 S71R64-K67 PolarHBondContact O-N 3.45Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 3.3Å; K67-S71 PolarHBondContact O-N 2.88Å
68K55.2Low53Low152 Ų152141.1 Ų141.166%0.66168%0.676SS**Hα-helixtrans-73.3-26.7177.5-148.7176.6-173.3-178.90113.5R64 R65 S71 N72R64-K68 PolarHBondContact O-N 3.34Å; R65-K68 PolarHBondContact O-N 3.04Å; K68-S71 PolarHBondContact O-OG 2.77Å; K68-N72 PolarHBondContact O-N 3.04Å
69R53.4Low54.4Low175 Ų175140.3 Ų140.366%0.6666%0.663SS**Hα-helixtrans-72.7-41.4174.5-101.2-175.7164.3-169.3-3.1112.5R65 K66 S71 N72 I73R65-R69 PolarHBondContact O-N 3.47Å; K66-R69 PolarHBondContact O-N 2.97Å; R69-S71 VanDerWaalsContact C-N 3.34Å; R69-S71 PolarHBondContact O-N 3.41Å; R69-N72 PolarHBondContact O-N 3.18Å; R69-I73 WeakPolarHBondContact O-CG1 3.48Å; R69-I73 PolarHBondContact O-N 3.17Å
70I56.8Low56.1Low92 Ų92137.8 Ų137.847%0.47264%0.643SS.*Hα-helixtrans-66.1-37.1179.5-65.1165.4000111.1K66 I73 R74K66-I70 PolarHBondContact O-N 3.41Å; I70-I73 PolarHBondContact O-N 3.06Å; I70-R74 PolarHBondContact O-N 3.21Å
71S56.4Low58Low64 Ų64138.6 Ų138.645%0.44863%0.628SS.*Hα-helixtrans-66.1-36.3174.757.70000112.8K67 K68 R69 A75K67-S71 PolarHBondContact O-N 2.88Å; K68-S71 PolarHBondContact O-OG 2.77Å; R69-S71 VanDerWaalsContact C-N 3.34Å; R69-S71 PolarHBondContact O-N 3.41Å; S71-A75 PolarHBondContact O-N 3.04Å
72N54.7Low59.7Low98 Ų98140.9 Ų140.952%0.52464%0.635SS.*Hα-helixtrans-74.7-26.7176.9-79.90.9000113.5K68 R69 A75 R76K68-N72 PolarHBondContact O-N 3.04Å; R69-N72 PolarHBondContact O-N 3.18Å; N72-A75 PolarHBondContact O-N 3.19Å; N72-R76 WeakPolarHBondContact O-CG 3.26Å; N72-R76 PolarHBondContact O-N 3.22Å; N72-R76 VanDerWaalsContact O-N 3.11Å
73I55.9Low61.4Low101 Ų101138.1 Ų138.152%0.51862%0.62SS.*Hα-helixtrans-70.3-41.3174.2-70.1164.1000110.2R69 I70 A75 R76 C77R69-I73 WeakPolarHBondContact O-CG1 3.48Å; R69-I73 PolarHBondContact O-N 3.17Å; I70-I73 PolarHBondContact O-N 3.06Å; I73-A75 VanDerWaalsContact C-N 3.3Å; I73-A75 PolarHBondContact O-N 3.43Å; I73-R76 CarbonylContact O-C 3.48Å; I73-R76 PolarHBondContact O-N 2.99Å; I73-R76 VanDerWaalsContact O-N 3.13Å; I73-C77 PolarHBondContact O-N 3.42Å
74R54.6Low63Low203 Ų203132.2 Ų132.277%0.76660%0.598SS**Hα-helixtrans-65.9-30.9173.3-70.5-176.7-173.9172.50.1113.2I70 R76I70-R74 PolarHBondContact O-N 3.21Å; R74-R76 VanDerWaalsContact C-N 3.32Å
75A55.2Low64.9Low83 Ų83124.6 Ų124.669%0.68657%0.571SS**Hα-helixtrans-75.5-18.9173.700000113.5S71 N72 I73S71-A75 PolarHBondContact O-N 3.04Å; N72-A75 PolarHBondContact O-N 3.19Å; I73-A75 VanDerWaalsContact C-N 3.3Å; I73-A75 PolarHBondContact O-N 3.43Å
76R55.2Low66.7Low219 Ų219120.6 Ų120.683%0.82656%0.564SS**Hα-helixtrans-99.2-12.7175.1-77-177.2172.7178.6-2.4113.9N72 I73 R74 R78N72-R76 WeakPolarHBondContact O-CG 3.26Å; N72-R76 PolarHBondContact O-N 3.22Å; N72-R76 VanDerWaalsContact O-N 3.11Å; I73-R76 CarbonylContact O-C 3.48Å; I73-R76 PolarHBondContact O-N 2.99Å; I73-R76 VanDerWaalsContact O-N 3.13Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R76-R78 PolarHBondContact O-N 3.36Å
77C57.7Low68.4Low66 Ų66116.6 Ų116.645%0.44655%0.547SS..SBendtrans-65.8108.7170.3-153.40000107.1I73 K79I73-C77 PolarHBondContact O-N 3.42Å; C77-K79 PolarHBondContact O-N 2.91Å; C77-K79 VanDerWaalsContact O-N 3.13Å
78R66.6Low70.1Confident231 Ų231111.2 Ų111.287%0.87253%0.525SS*.PPolyproline II helixtrans-59118.8178-69.3178.1174.1175.5-1.4107.3R76 T80R76-R78 PolarHBondContact O-N 3.36Å; R78-T80 PolarHBondContact O-N 3.4Å
79K73Confident71.7Confident108 Ų108110.1 Ų110.147%0.4752%0.518SS..PPolyproline II helixtrans-56.9136.5174-62-178.5-172.7-172.40108.1C77 I83 L84 E87C77-K79 PolarHBondContact O-N 2.91Å; C77-K79 VanDerWaalsContact O-N 3.13Å; K79-I83 HydrophobicContact CB-CB 4.3Å; K79-I83 HydrophobicContact CB-CG2 4.08Å; K79-I83 HydrophobicContact CD-CG2 4.16Å; K79-I83 HydrophobicContact CG-CG2 4.25Å; K79-L84 HydrophobicContact CB-CD2 3.9Å; K79-L84 HydrophobicContact CB-CG 3.94Å; K79-L84 HydrophobicContact CD-CD2 3.78Å; K79-L84 HydrophobicContact CG-CD2 4.44Å; K79-E87 WeakPolarHBondContact CD-OE1 3.41Å; K79-E87 WeakPolarHBondContact CD-OE2 3.28Å; K79-E87 WeakPolarHBondContact CE-OE1 3.47Å; K79-E87 IonicContact NZ-OE1 2.65Å; K79-E87 PolarHBondContact NZ-OE1 2.95Å; K79-E87 IonicContact NZ-OE2 2.64Å; K79-E87 PolarHBondContact NZ-OE2 3.44Å
80T80.6Confident73.4Confident48 Ų48108.9 Ų108.929%0.29452%0.519SS..PPolyproline II helixtrans-64.1156.7171.862.20000109R78 E82 I83 L84R78-T80 PolarHBondContact O-N 3.4Å; T80-E82 PolarHBondContact O-N 3.22Å; T80-I83 HydrophobicContact CG2-CD1 4.44Å; T80-I83 PolarHBondContact O-N 3.47Å; T80-I83 VanDerWaalsContact O-N 3.11Å; T80-I83 WeakPolarHBondContact OG1-CD1 3.46Å; T80-I83 VanDerWaalsContact OG1-CG1 3.28Å; T80-I83 WeakPolarHBondContact OG1-CG1 3.49Å; T80-I83 PolarHBondContact OG1-N 3.32Å; T80-L84 PolarHBondContact O-N 2.97Å
81F83Confident74.9Confident117 Ų117108.3 Ų108.351%0.51353%0.529SS..Hα-helixtrans-57.4-37.7176.7-177.2-116.1000111.7I83 L84 L85 Y101F81-I83 PolarHBondContact O-N 3.21Å; F81-L84 WeakPolarHBondContact O-CB 3.47Å; F81-L84 PolarHBondContact O-N 3.03Å; F81-L85 HydrophobicContact CD1-CD1 3.93Å; F81-L85 HydrophobicContact CD1-CG 4.28Å; F81-L85 HydrophobicContact CE1-CD1 3.51Å; F81-L85 HydrophobicContact CE1-CD2 4.21Å; F81-L85 HydrophobicContact CE1-CG 3.92Å; F81-L85 HydrophobicContact CE2-CD2 4.18Å; F81-L85 HydrophobicContact CE2-CG 4.28Å; F81-L85 HydrophobicContact CZ-CD1 3.96Å; F81-L85 HydrophobicContact CZ-CD2 3.76Å; F81-L85 HydrophobicContact CZ-CG 3.91Å; F81-L85 WeakPolarHBondContact O-CG 3.41Å; F81-L85 PolarHBondContact O-N 3.49Å; F81-Y101 HydrophobicContact CE2-CE2 4.37Å; F81-Y101 HydrophobicContact CZ-CE1 4.17Å; F81-Y101 AromaticContact CZ-CE2 3.89Å; F81-Y101 HydrophobicContact CZ-CE2 3.89Å; F81-Y101 AromaticContact CZ-CZ 3.57Å; F81-Y101 WeakPolarHBondContact CZ-OH 3.28Å
82E85.4Confident76.4Confident147 Ų147106.1 Ų106.169%0.68751%0.512SS*.Hα-helixtrans-58.4-45.9174-65.2177.2175.200112.5T80 L84 L85 D86T80-E82 PolarHBondContact O-N 3.22Å; E82-L84 VanDerWaalsContact C-N 3.31Å; E82-L84 PolarHBondContact O-N 3.25Å; E82-L85 PolarHBondContact O-N 3.24Å; E82-D86 PolarHBondContact O-N 2.94Å
83I86Confident77.8Confident78 Ų78108.8 Ų108.840%0.452%0.519SS..Hα-helixtrans-62.9-40.2176.6-67.9163.9000110.8K79 T80 F81 L85 D86 E87K79-I83 HydrophobicContact CB-CB 4.3Å; K79-I83 HydrophobicContact CB-CG2 4.08Å; K79-I83 HydrophobicContact CD-CG2 4.16Å; K79-I83 HydrophobicContact CG-CG2 4.25Å; T80-I83 HydrophobicContact CG2-CD1 4.44Å; T80-I83 PolarHBondContact O-N 3.47Å; T80-I83 VanDerWaalsContact O-N 3.11Å; T80-I83 WeakPolarHBondContact OG1-CD1 3.46Å; T80-I83 VanDerWaalsContact OG1-CG1 3.28Å; T80-I83 WeakPolarHBondContact OG1-CG1 3.49Å; T80-I83 PolarHBondContact OG1-N 3.32Å; F81-I83 PolarHBondContact O-N 3.21Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-D86 PolarHBondContact O-N 3.45Å; I83-E87 HydrophobicContact CG2-CG 4.45Å; I83-E87 WeakPolarHBondContact O-CG 3.35Å; I83-E87 PolarHBondContact O-N 3.47Å
84L86.5Confident79Confident79 Ų79105.3 Ų105.341%0.41451%0.509SS..Hα-helixtrans-64.1-39.8177.1-67.9173.2000111.9K79 T80 F81 E82 E87 E88K79-L84 HydrophobicContact CB-CD2 3.9Å; K79-L84 HydrophobicContact CB-CG 3.94Å; K79-L84 HydrophobicContact CD-CD2 3.78Å; K79-L84 HydrophobicContact CG-CD2 4.44Å; T80-L84 PolarHBondContact O-N 2.97Å; F81-L84 WeakPolarHBondContact O-CB 3.47Å; F81-L84 PolarHBondContact O-N 3.03Å; E82-L84 VanDerWaalsContact C-N 3.31Å; E82-L84 PolarHBondContact O-N 3.25Å; L84-E87 PolarHBondContact O-N 3.35Å; L84-E88 WeakPolarHBondContact O-CB 3.4Å; L84-E88 PolarHBondContact O-N 3.09Å
85L89Confident80.3Confident37 Ų3796.5 Ų96.519%0.19448%0.48CS..Hα-helixtrans-63.8-43175-71.3-178.9000112F81 E82 I83 E88 Y89 Y101 F102F81-L85 HydrophobicContact CD1-CD1 3.93Å; F81-L85 HydrophobicContact CD1-CG 4.28Å; F81-L85 HydrophobicContact CE1-CD1 3.51Å; F81-L85 HydrophobicContact CE1-CD2 4.21Å; F81-L85 HydrophobicContact CE1-CG 3.92Å; F81-L85 HydrophobicContact CE2-CD2 4.18Å; F81-L85 HydrophobicContact CE2-CG 4.28Å; F81-L85 HydrophobicContact CZ-CD1 3.96Å; F81-L85 HydrophobicContact CZ-CD2 3.76Å; F81-L85 HydrophobicContact CZ-CG 3.91Å; F81-L85 WeakPolarHBondContact O-CG 3.41Å; F81-L85 PolarHBondContact O-N 3.49Å; E82-L85 PolarHBondContact O-N 3.24Å; I83-L85 VanDerWaalsContact C-N 3.34Å; L85-E88 PolarHBondContact O-N 3.49Å; L85-Y89 VanDerWaalsContact O-CB 3.27Å; L85-Y89 WeakPolarHBondContact O-CB 3.32Å; L85-Y89 PolarHBondContact O-N 3.34Å; L85-Y101 HydrophobicContact CD2-CD1 3.23Å; L85-Y101 HydrophobicContact CD2-CE1 3.33Å; L85-Y101 HydrophobicContact CD2-CG 3.89Å; L85-F102 HydrophobicContact CB-CZ 4.41Å; L85-F102 HydrophobicContact CD2-CZ 4.37Å; L85-F102 WeakPolarHBondContact O-CZ 3.33Å
86D88.9Confident81.6Confident99 Ų9997.7 Ų97.753%0.52948%0.48SS..Hα-helixtrans-64.8-41.9177.8-79.1-12.2000111.9E82 I83 Y89 Q90E82-D86 PolarHBondContact O-N 2.94Å; I83-D86 PolarHBondContact O-N 3.45Å; D86-Y89 PolarHBondContact O-N 3.41Å; D86-Q90 VanDerWaalsContact O-CG 3.28Å; D86-Q90 WeakPolarHBondContact O-CG 3.1Å; D86-Q90 PolarHBondContact O-N 2.69Å
87E89.1Confident82.9Confident79 Ų7990.9 Ų90.937%0.36946%0.462SS..Hα-helixtrans-61.6-44.3175.2-75179175.100111.6K79 I83 L84 Q90 A91K79-E87 WeakPolarHBondContact CD-OE1 3.41Å; K79-E87 WeakPolarHBondContact CD-OE2 3.28Å; K79-E87 WeakPolarHBondContact CE-OE1 3.47Å; K79-E87 IonicContact NZ-OE1 2.65Å; K79-E87 PolarHBondContact NZ-OE1 2.95Å; K79-E87 IonicContact NZ-OE2 2.64Å; K79-E87 PolarHBondContact NZ-OE2 3.44Å; I83-E87 HydrophobicContact CG2-CG 4.45Å; I83-E87 WeakPolarHBondContact O-CG 3.35Å; I83-E87 PolarHBondContact O-N 3.47Å; L84-E87 PolarHBondContact O-N 3.35Å; E87-Q90 PolarHBondContact O-N 2.86Å; E87-A91 VanDerWaalsContact O-CB 3.3Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 3.33Å
88E88.5Confident84.1Confident59 Ų5990.8 Ų90.828%0.27647%0.473SS..Hα-helixtrans-68.1-37.5176.7-174.2169.9-165.200112.1L84 L85 Q90 A91 T92 C100 Y101 F102L84-E88 WeakPolarHBondContact O-CB 3.4Å; L84-E88 PolarHBondContact O-N 3.09Å; L85-E88 PolarHBondContact O-N 3.49Å; E88-Q90 VanDerWaalsContact C-N 3.31Å; E88-Q90 PolarHBondContact O-N 3.1Å; E88-A91 PolarHBondContact O-N 2.71Å; E88-T92 HydrophobicContact CG-CG2 4.05Å; E88-T92 WeakPolarHBondContact O-CB 3.45Å; E88-T92 WeakPolarHBondContact O-CG2 3.27Å; E88-T92 PolarHBondContact O-N 3.4Å; E88-T92 PolarHBondContact O-OG1 2.7Å; E88-C100 HydrophobicContact CG-CB 4.31Å; E88-C100 WeakPolarHBondContact OE1-CA 3.21Å; E88-C100 VanDerWaalsContact OE1-CB 3.31Å; E88-C100 WeakPolarHBondContact OE1-CB 3.46Å; E88-Y101 WeakPolarHBondContact OE1-CB 3.43Å; E88-Y101 PolarHBondContact OE1-N 3.49Å; E88-Y101 WeakPolarHBondContact OE2-CB 3.06Å; E88-F102 HydrophobicContact CB-CE2 4.26Å; E88-F102 HydrophobicContact CG-CE2 4.18Å
89Y90.2Very high85Confident130 Ų13084.9 Ų84.951%0.5147%0.473SS..Hα-helixtrans-62.2-42.5176.8-174.4-93.7000110.7L85 D86 K93 G94 F102L85-Y89 VanDerWaalsContact O-CB 3.27Å; L85-Y89 WeakPolarHBondContact O-CB 3.32Å; L85-Y89 PolarHBondContact O-N 3.34Å; D86-Y89 PolarHBondContact O-N 3.41Å; Y89-K93 CarbonylContact O-C 3.56Å; Y89-K93 VanDerWaalsContact O-CA 3.24Å; Y89-K93 WeakPolarHBondContact O-CA 3.41Å; Y89-K93 PolarHBondContact O-N 3.17Å; Y89-G94 VanDerWaalsContact CD2-CA 3.48Å; Y89-G94 PolarHBondContact O-N 3.06Å; Y89-F102 HydrophobicContact CD2-CD2 4.44Å; Y89-F102 HydrophobicContact CD2-CE1 4.16Å; Y89-F102 HydrophobicContact CD2-CE2 4.03Å; Y89-F102 AromaticContact CD2-CZ 3.88Å; Y89-F102 HydrophobicContact CD2-CZ 3.88Å; Y89-F102 HydrophobicContact CG-CE2 4.38Å; Y89-F102 HydrophobicContact CG-CZ 4.29Å
90Q88.9Confident85.7Confident148 Ų14880.2 Ų80.269%0.69245%0.454SS*.Hα-helixtrans-67.7-44.4175.1-69.9173.335.200111.9D86 E87 E88 T92D86-Q90 VanDerWaalsContact O-CG 3.28Å; D86-Q90 WeakPolarHBondContact O-CG 3.1Å; D86-Q90 PolarHBondContact O-N 2.69Å; E87-Q90 PolarHBondContact O-N 2.86Å; E88-Q90 VanDerWaalsContact C-N 3.31Å; E88-Q90 PolarHBondContact O-N 3.1Å; Q90-T92 VanDerWaalsContact C-N 3.34Å; Q90-T92 PolarHBondContact O-N 3.04Å
91A88.1Confident86.1Confident81 Ų8183.7 Ų83.767%0.66946%0.463SS*.Hα-helixtrans-63.8-38.9-179.600000112.5E87 E88E87-A91 VanDerWaalsContact O-CB 3.3Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 3.33Å; E88-A91 PolarHBondContact O-N 2.71Å
92T86.6Confident86.3Confident17 Ų1781.6 Ų81.610%0.10445%0.453CS..Hα-helixtrans-99.7-1-17465.20000113.1E88 Q90 G94 G95 T96 T97 C100E88-T92 HydrophobicContact CG-CG2 4.05Å; E88-T92 WeakPolarHBondContact O-CB 3.45Å; E88-T92 WeakPolarHBondContact O-CG2 3.27Å; E88-T92 PolarHBondContact O-N 3.4Å; E88-T92 PolarHBondContact O-OG1 2.7Å; Q90-T92 VanDerWaalsContact C-N 3.34Å; Q90-T92 PolarHBondContact O-N 3.04Å; T92-G94 VanDerWaalsContact C-N 3.34Å; T92-G94 PolarHBondContact O-N 2.68Å; T92-G95 PolarHBondContact O-N 2.91Å; T92-G95 VanDerWaalsContact O-N 3.17Å; T92-G95 PolarHBondContact OG1-N 2.96Å; T92-T96 PolarHBondContact O-N 2.98Å; T92-T96 VanDerWaalsContact O-N 3.11Å; T92-T96 PolarHBondContact O-OG1 3.21Å; T92-T97 WeakPolarHBondContact CA-OG1 3.45Å; T92-T97 PolarHBondContact O-N 3.23Å; T92-T97 PolarHBondContact O-OG1 3.39Å; T92-C100 HydrophobicContact CG2-CB 3.46Å; T92-C100 VanDerWaalsContact CG2-CB 3.46Å
93K85.5Confident86.4Confident155 Ų15578 Ų7867%0.67444%0.442SS*.THydrogen-bonded Turntrans48.255.8-171.6-65.8176.7-178.3177.50110.8Y89 G95 T96Y89-K93 CarbonylContact O-C 3.56Å; Y89-K93 VanDerWaalsContact O-CA 3.24Å; Y89-K93 WeakPolarHBondContact O-CA 3.41Å; Y89-K93 PolarHBondContact O-N 3.17Å; K93-G95 VanDerWaalsContact C-N 3.32Å; K93-G95 PolarHBondContact O-N 3.46Å; K93-T96 VanDerWaalsContact CB-OG1 3.26Å; K93-T96 WeakPolarHBondContact CB-OG1 3.36Å; K93-T96 WeakPolarHBondContact O-CG2 3.48Å; K93-T96 PolarHBondContact O-N 2.89Å; K93-T96 PolarHBondContact O-OG1 3.3Å
94G80.7Confident86.6Confident28 Ų2878 Ų7829%0.28945%0.453SS..THydrogen-bonded Turntrans6627.3-178.600000115.3Y89 T92Y89-G94 VanDerWaalsContact CD2-CA 3.48Å; Y89-G94 PolarHBondContact O-N 3.06Å; T92-G94 VanDerWaalsContact C-N 3.34Å; T92-G94 PolarHBondContact O-N 2.68Å
95G82.2Confident86.8Confident17 Ų1777.7 Ų77.718%0.17546%0.462CS..THydrogen-bonded Turntrans8317.3-178.800000115.3T92 K93 T97 C100 T103T92-G95 PolarHBondContact O-N 2.91Å; T92-G95 VanDerWaalsContact O-N 3.17Å; T92-G95 PolarHBondContact OG1-N 2.96Å; K93-G95 VanDerWaalsContact C-N 3.32Å; K93-G95 PolarHBondContact O-N 3.46Å; G95-T97 PolarHBondContact O-N 3.19Å; G95-C100 WeakPolarHBondContact CA-SG 3.49Å; G95-T103 WeakPolarHBondContact O-CG2 3.46Å
96T82.4Confident86.9Confident109 Ų10982.1 Ų82.167%0.66949%0.491SS*.THydrogen-bonded Turntrans-74.2-15.7171.3520000112.8T92 K93T92-T96 PolarHBondContact O-N 2.98Å; T92-T96 VanDerWaalsContact O-N 3.11Å; T92-T96 PolarHBondContact O-OG1 3.21Å; K93-T96 VanDerWaalsContact CB-OG1 3.26Å; K93-T96 WeakPolarHBondContact CB-OG1 3.36Å; K93-T96 WeakPolarHBondContact O-CG2 3.48Å; K93-T96 PolarHBondContact O-N 2.89Å; K93-T96 PolarHBondContact O-OG1 3.3Å
97T81.4Confident87Confident75 Ų7582.3 Ų82.346%0.4650%0.497SS..SBendtrans-127.9114.3-177.249.40000111.2T92 G95T92-T97 WeakPolarHBondContact CA-OG1 3.45Å; T92-T97 PolarHBondContact O-N 3.23Å; T92-T97 PolarHBondContact O-OG1 3.39Å; G95-T97 PolarHBondContact O-N 3.19Å
98G82.8Confident87.2Confident65 Ų6584.4 Ų84.467%0.6752%0.517SS*.SBendtrans72.9179.1175.300000115.1
99A86.4Confident87.5Confident106 Ų10686 Ų8688%0.87654%0.536SS*.SBendtrans-79122.7169.600000109.2
100C87.6Confident87.8Confident11 Ų1191.9 Ų91.97%0.07456%0.557CS.*  trans-138.8174.3177.172.70000111.4E88 T92 G95 F102 T103 A104E88-C100 HydrophobicContact CG-CB 4.31Å; E88-C100 WeakPolarHBondContact OE1-CA 3.21Å; E88-C100 VanDerWaalsContact OE1-CB 3.31Å; E88-C100 WeakPolarHBondContact OE1-CB 3.46Å; T92-C100 HydrophobicContact CG2-CB 3.46Å; T92-C100 VanDerWaalsContact CG2-CB 3.46Å; G95-C100 WeakPolarHBondContact CA-SG 3.49Å; C100-F102 PolarHBondContact O-N 3.21Å; C100-T103 PolarHBondContact N-OG1 3.47Å; C100-T103 PolarHBondContact O-N 2.85Å; C100-T103 PolarHBondContact O-OG1 3.38Å; C100-A104 PolarHBondContact O-N 3.07Å
101Y89.2Confident88.1Confident120 Ų12091.2 Ų91.247%0.47156%0.557SS.*Hα-helixtrans-50.6-40.2177.9-175.5-92.9000112.9F81 L85 E88 T103 A104F81-Y101 HydrophobicContact CE2-CE2 4.37Å; F81-Y101 HydrophobicContact CZ-CE1 4.17Å; F81-Y101 AromaticContact CZ-CE2 3.89Å; F81-Y101 HydrophobicContact CZ-CE2 3.89Å; F81-Y101 AromaticContact CZ-CZ 3.57Å; F81-Y101 WeakPolarHBondContact CZ-OH 3.28Å; L85-Y101 HydrophobicContact CD2-CD1 3.23Å; L85-Y101 HydrophobicContact CD2-CE1 3.33Å; L85-Y101 HydrophobicContact CD2-CG 3.89Å; E88-Y101 WeakPolarHBondContact OE1-CB 3.43Å; E88-Y101 PolarHBondContact OE1-N 3.49Å; E88-Y101 WeakPolarHBondContact OE2-CB 3.06Å; Y101-T103 PolarHBondContact O-N 3.25Å; Y101-A104 PolarHBondContact O-N 3.17Å
102F87Confident88.3Confident73 Ų7392.8 Ų92.832%0.3256%0.561SS.*Hα-helixtrans-68.5-32.5178.8-57.9-76.1000113.3L85 E88 Y89 C100L85-F102 HydrophobicContact CB-CZ 4.41Å; L85-F102 HydrophobicContact CD2-CZ 4.37Å; L85-F102 WeakPolarHBondContact O-CZ 3.33Å; E88-F102 HydrophobicContact CB-CE2 4.26Å; E88-F102 HydrophobicContact CG-CE2 4.18Å; Y89-F102 HydrophobicContact CD2-CD2 4.44Å; Y89-F102 HydrophobicContact CD2-CE1 4.16Å; Y89-F102 HydrophobicContact CD2-CE2 4.03Å; Y89-F102 AromaticContact CD2-CZ 3.88Å; Y89-F102 HydrophobicContact CD2-CZ 3.88Å; Y89-F102 HydrophobicContact CG-CE2 4.38Å; Y89-F102 HydrophobicContact CG-CZ 4.29Å; C100-F102 PolarHBondContact O-N 3.21Å
103T88.3Confident88.5Confident72 Ų72103.6 Ų103.644%0.44260%0.599SS.*Hα-helixtrans-82.9-18.7177.262.10000113.4G95 C100 Y101 A105G95-T103 WeakPolarHBondContact O-CG2 3.46Å; C100-T103 PolarHBondContact N-OG1 3.47Å; C100-T103 PolarHBondContact O-N 2.85Å; C100-T103 PolarHBondContact O-OG1 3.38Å; Y101-T103 PolarHBondContact O-N 3.25Å; T103-A105 PolarHBondContact O-N 2.95Å
104A90.1Very high88.9Confident77 Ų77106.2 Ų106.264%0.63661%0.605SS**Hα-helixtrans-75.2-15.5178.300000112.8C100 Y101 V106C100-A104 PolarHBondContact O-N 3.07Å; Y101-A104 PolarHBondContact O-N 3.17Å; A104-V106 PolarHBondContact O-N 3.42Å
105A89.4Confident89.5Confident73 Ų73110.6 Ų110.660%0.60362%0.616SS**SBendtrans-66.7124-179.800000111.6T103T103-A105 PolarHBondContact O-N 2.95Å
106V92Very high90.1Very high131 Ų131115.3 Ų115.379%0.79463%0.632SS**PPolyproline II helixtrans-71.1136176.3179.30000109.6A104A104-V106 PolarHBondContact O-N 3.42Å
107P91.3Very high90.7Very high102 Ų102110.3 Ų110.366%0.66260%0.601SS**PPolyproline II helixtrans-61.8158.9175.925.8-35.4000112S109P107-S109 PolarHBondContact O-N 3.05Å
108P92.7Very high91.2Very high123 Ų123110.3 Ų110.380%0.79960%0.599SS**PPolyproline II helixtrans-58.1142.1177.525.5-34.5000111.2R110P108-R110 PolarHBondContact O-N 2.81Å
109S95.1Very high91.7Very high94 Ų94108.9 Ų108.966%0.65758%0.577SS**PPolyproline II helixtrans-57.9138.6177.2178.10000111.3P107 L111P107-S109 PolarHBondContact O-N 3.05Å; S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact OG-N 2.92Å; S109-L111 VanDerWaalsContact OG-N 3.09Å; S109-L111 PolarHBondContact OG-O 3.02Å
110R95.6Very high92Very high253 Ų253106.5 Ų106.596%0.95555%0.553SS**SBendtrans-77.8-15.2171.7-60.4-178.4-175.91790.9112.9P108P108-R110 PolarHBondContact O-N 2.81Å
111L94.9Very high92.4Very high133 Ų133108.2 Ų108.270%0.69657%0.573SS**SBendtrans-95.3145.3-177-61.9175.9000111S109S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact OG-N 2.92Å; S109-L111 VanDerWaalsContact OG-N 3.09Å; S109-L111 PolarHBondContact OG-O 3.02Å
112P92.9Very high92.7Very high115 Ų115109.6 Ų109.675%0.74758%0.582SS**PPolyproline II helixtrans-63.2145.2177.927.2-34.7000111.4R114P112-R114 PolarHBondContact O-N 2.78Å
113R91.1Very high93.1Very high243 Ų243113 Ų11392%0.91760%0.598SS**PPolyproline II helixtrans-64.1128.6178.7-63.1178.6-178.6-111.71.8110.2
114R93.1Very high93.4Very high211 Ų211110 Ų11080%0.79658%0.582SS**PPolyproline II helixtrans-74.6144171.2-64.3-175-179.4-170.90110.1P112 F116P112-R114 PolarHBondContact O-N 2.78Å; R114-F116 HydrophobicContact CB-CE2 3.8Å; R114-F116 HydrophobicContact CB-CZ 3.94Å
115K93.7Very high93.6Very high120 Ų120111.6 Ų111.652%0.52258%0.579SS.*  trans-104125.9176.8-62.6176.7-179.7170.40109G124 P134K115-G124 PolarHBondContact O-N 2.84Å; K115-P134 HydrophobicContact CB-CB 4.16Å; K115-P134 HydrophobicContact CB-CG 4.47Å
116F95.7Very high93.8Very high115 Ų115114.2 Ų114.250%0.50457%0.574SS.*BIsolated β-bridgetrans-119.2143.3177.6-63.8-72.2000110.1R114 N118 G121 F122 P134R114-F116 HydrophobicContact CB-CE2 3.8Å; R114-F116 HydrophobicContact CB-CZ 3.94Å; F116-N118 PolarHBondContact O-N 3.11Å; F116-G121 VanDerWaalsContact CD1-O 3.32Å; F116-G121 WeakPolarHBondContact CD1-O 3.35Å; F116-F122 CarbonylContact C-O 3.39Å; F116-F122 WeakPolarHBondContact CA-O 3.32Å; F116-P134 WeakPolarHBondContact O-CG 3.47Å
117C95Very high93.8Very high4 Ų4111.4 Ų111.43%0.02756%0.555CS.*  trans-63.7126178.3177.20000110.4V119 C120 G121 F122 P134 Y135 C136C117-V119 PolarHBondContact O-N 2.77Å; C117-V119 VanDerWaalsContact O-N 3.1Å; C117-V119 PolarHBondContact SG-N 2.85Å; C117-V119 VanDerWaalsContact SG-N 3.41Å; C117-C120 PolarHBondContact SG-SG 3.33Å; C117-G121 WeakPolarHBondContact O-CA 3.49Å; C117-G121 PolarHBondContact O-N 3.26Å; C117-F122 WeakPolarHBondContact CB-O 3.31Å; C117-F122 PolarHBondContact N-O 3.34Å; C117-P134 WeakPolarHBondContact CA-O 3.14Å; C117-Y135 VanDerWaalsContact SG-CA 3.58Å; C117-C136 HydrophobicContact CB-CB 3.93Å; C117-C136 PolarHBondContact SG-N 2.88Å
118N90.8Very high93.7Very high75 Ų75106.8 Ų106.840%0.40153%0.525SS..THydrogen-bonded Turntrans-68.8-8.3179.8-165.439.6000114.4F116 P134F116-N118 PolarHBondContact O-N 3.11Å; N118-P134 PolarHBondContact N-O 3.3Å
119V92.9Very high93.4Very high35 Ų35105.2 Ų105.221%0.21251%0.509CS..THydrogen-bonded Turntrans-97.9-43.3-178.8-179.30000111.5C117 C140 I143 H144C117-V119 PolarHBondContact O-N 2.77Å; C117-V119 VanDerWaalsContact O-N 3.1Å; C117-V119 PolarHBondContact SG-N 2.85Å; C117-V119 VanDerWaalsContact SG-N 3.41Å; V119-C140 HydrophobicContact CB-CB 4.03Å; V119-C140 HydrophobicContact CG1-CB 4.41Å; V119-C140 HydrophobicContact CG2-CB 4.16Å; V119-C140 WeakPolarHBondContact CG2-O 3.38Å; V119-I143 HydrophobicContact CG1-CB 4.17Å; V119-I143 HydrophobicContact CG1-CD1 4.08Å; V119-I143 HydrophobicContact CG1-CG2 3.79Å; V119-I143 HydrophobicContact CG2-CG2 4.33Å; V119-H144 HydrophobicContact CG2-CB 4.1Å
120C94.7Very high92.9Very high56 Ų56101.1 Ų101.138%0.37848%0.48SS..THydrogen-bonded Turntrans-129.2-3.2-171.361.10000114.8C117 F122 C136 C140C117-C120 PolarHBondContact SG-SG 3.33Å; C120-F122 VanDerWaalsContact C-N 3.27Å; C120-F122 HydrophobicContact CB-CD2 4Å; C120-F122 PolarHBondContact O-N 3.25Å; C120-C136 PolarHBondContact SG-SG 3.25Å; C120-C140 VanDerWaalsContact SG-SG 3.69Å
121G94.3Very high92.4Very high47 Ų4790.6 Ų90.649%0.48545%0.445SS..  trans78.7-8.6177.300000116.5F116 C117F116-G121 VanDerWaalsContact CD1-O 3.32Å; F116-G121 WeakPolarHBondContact CD1-O 3.35Å; C117-G121 WeakPolarHBondContact O-CA 3.49Å; C117-G121 PolarHBondContact O-N 3.26Å
122F95.7Very high92Very high150 Ų15085.8 Ų85.866%0.65843%0.427SS*.SBendtrans-66172.4174.5-73.9-82000112.9F116 C117 C120 G124 C136F116-F122 CarbonylContact C-O 3.39Å; F116-F122 WeakPolarHBondContact CA-O 3.32Å; C117-F122 WeakPolarHBondContact CB-O 3.31Å; C117-F122 PolarHBondContact N-O 3.34Å; C120-F122 VanDerWaalsContact C-N 3.27Å; C120-F122 HydrophobicContact CB-CD2 4Å; C120-F122 PolarHBondContact O-N 3.25Å; F122-G124 PolarHBondContact O-N 3.22Å; F122-C136 HydrophobicContact CB-CB 4.35Å
123Q95.7Very high91.8Very high144 Ų14482.8 Ų82.867%0.67340%0.404SS*.BIsolated β-bridgetrans-56.5124.7178.8-171.6171.16.100111.9L125 C136Q123-L125 HydrophobicContact CG-CD2 4.3Å; Q123-L125 PolarHBondContact O-N 3.32Å; Q123-C136 VanDerWaalsContact O-CB 3.27Å; Q123-C136 WeakPolarHBondContact O-CB 3.37Å
124G94.7Very high91.9Very high9 Ų972.4 Ų72.49%0.09337%0.369CS..  trans-81.297.9179.700000111K115 F122K115-G124 PolarHBondContact O-N 2.84Å; F122-G124 PolarHBondContact O-N 3.22Å
125L94.6Very high92Very high111 Ų11164.3 Ų64.358%0.58134%0.338SS*.  trans-79.8-29.1-178.2-61.8177.3000112.7Q123 Y135Q123-L125 HydrophobicContact CG-CD2 4.3Å; Q123-L125 PolarHBondContact O-N 3.32Å; L125-Y135 PolarHBondContact N-O 2.93Å; L125-Y135 VanDerWaalsContact N-O 3.11Å
126Y94.1Very high92.1Very high127 Ų12759.8 Ų59.850%0.49832%0.322SS..EExtended strand (participates in β ladder)trans-128.4158.1-173.9-51.3-76.1000111P134 Y135Y126-P134 CarbonylContact O-C 3.48Å; Y126-P134 WeakPolarHBondContact O-CA 3.48Å; Y126-Y135 HydrophobicContact CD2-CD2 4.11Å; Y126-Y135 AromaticContact CD2-CE2 3.73Å; Y126-Y135 HydrophobicContact CD2-CE2 3.73Å; Y126-Y135 HydrophobicContact CG-CD2 4.46Å; Y126-Y135 AromaticContact CG-CE2 3.83Å; Y126-Y135 HydrophobicContact CG-CE2 3.83Å; Y126-Y135 PolarHBondContact N-O 3.34Å; Y126-Y135 PolarHBondContact O-N 3.05Å
127N91.2Very high92.1Very high73 Ų7356.3 Ų56.339%0.3931%0.312SS..EExtended strand (participates in β ladder)trans-118.3141.5177.6-68.1-20.9000110.5
128C89.8Confident92.1Very high4 Ų465.3 Ų65.33%0.02735%0.345CS..  trans-68.4130.4171.9-179.30000110.7V130 G132 L133 H144C128-V130 PolarHBondContact O-N 3.34Å; C128-G132 WeakPolarHBondContact O-CA 3.34Å; C128-G132 PolarHBondContact O-N 3.23Å; C128-L133 PolarHBondContact N-O 3.19Å; C128-H144 VanDerWaalsContact CB-NE2 3.32Å; C128-H144 WeakPolarHBondContact CB-NE2 3.48Å; C128-H144 PolarHBondContact SG-NE2 2.83Å
129I85.8Confident92.3Very high90 Ų9069.5 Ų69.546%0.46236%0.359SS..THydrogen-bonded Turntrans-65.2-27.218062.3178.3000113.3P14P14-I129 HydrophobicContact CG-CD1 4.43Å
130V84.7Confident92.4Very high9 Ų968.3 Ų68.36%0.05535%0.353CS..THydrogen-bonded Turntrans-83.4-56.7-175.8-174.40000110.6R12 L15 C128 M150R12-V130 HydrophobicContact CB-CG2 4.47Å; L15-V130 WeakPolarHBondContact CD1-O 3.47Å; C128-V130 PolarHBondContact O-N 3.34Å; V130-M150 HydrophobicContact CG1-CG 3.55Å; V130-M150 HydrophobicContact CG1-SD 4.15Å
131C84Confident92.4Very high32 Ų3268 Ų6822%0.21634%0.344CS..THydrogen-bonded Turntrans-107.2-6.8-17370.30000114.6L133 H144 M150C131-L133 PolarHBondContact O-N 3.09Å; C131-H144 PolarHBondContact SG-CE1 3.37Å; C131-H144 PolarHBondContact SG-NE2 3.29Å; C131-M150 HydrophobicContact CB-SD 4.17Å
132G87.1Confident92.3Very high31 Ų3169.8 Ų69.832%0.3234%0.34SS..  trans76.50.9-179.500000115.5C128C128-G132 WeakPolarHBondContact O-CA 3.34Å; C128-G132 PolarHBondContact O-N 3.23Å
133L89.3Confident92.2Very high52 Ų5266.3 Ų66.327%0.27233%0.327SS..  trans-71.5136-176.9-74.9170.5000111.8C128 C131C128-L133 PolarHBondContact N-O 3.19Å; C131-L133 PolarHBondContact O-N 3.09Å
134P93.1Very high92Very high26 Ų2659.5 Ų59.517%0.16930%0.295CS..EExtended strand (participates in β ladder)trans-71.7143.917824.4-33.3000114K115 F116 C117 N118 Y126K115-P134 HydrophobicContact CB-CB 4.16Å; K115-P134 HydrophobicContact CB-CG 4.47Å; F116-P134 WeakPolarHBondContact O-CG 3.47Å; C117-P134 WeakPolarHBondContact CA-O 3.14Å; N118-P134 PolarHBondContact N-O 3.3Å; Y126-P134 CarbonylContact O-C 3.48Å; Y126-P134 WeakPolarHBondContact O-CA 3.48Å
135Y94.9Very high91.7Very high40 Ų4060.5 Ų60.516%0.15730%0.301CS..EExtended strand (participates in β ladder)trans-139.7155.7172.164.8-90.9000112.2C117 L125 Y126 S137 Y141C117-Y135 VanDerWaalsContact SG-CA 3.58Å; L125-Y135 PolarHBondContact N-O 2.93Å; L125-Y135 VanDerWaalsContact N-O 3.11Å; Y126-Y135 HydrophobicContact CD2-CD2 4.11Å; Y126-Y135 AromaticContact CD2-CE2 3.73Å; Y126-Y135 HydrophobicContact CD2-CE2 3.73Å; Y126-Y135 HydrophobicContact CG-CD2 4.46Å; Y126-Y135 AromaticContact CG-CE2 3.83Å; Y126-Y135 HydrophobicContact CG-CE2 3.83Å; Y126-Y135 PolarHBondContact N-O 3.34Å; Y126-Y135 PolarHBondContact O-N 3.05Å; Y135-S137 WeakPolarHBondContact CD2-O 3.39Å; Y135-Y141 HydrophobicContact CD1-CD2 4.15Å; Y135-Y141 AromaticContact CE1-CD2 3.66Å; Y135-Y141 HydrophobicContact CE1-CD2 3.66Å; Y135-Y141 HydrophobicContact CE1-CE2 4.43Å; Y135-Y141 HydrophobicContact CE1-CG 4.41Å; Y135-Y141 HydrophobicContact CE2-CD2 4.35Å; Y135-Y141 HydrophobicContact CE2-CG 4.32Å; Y135-Y141 AromaticContact CZ-CD2 3.78Å
136C96.4Very high91.4Very high26 Ų2660.3 Ų60.318%0.17630%0.301CS..SBendtrans-95-30.8-176.165.80000114C117 C120 F122 Q123C117-C136 HydrophobicContact CB-CB 3.93Å; C117-C136 PolarHBondContact SG-N 2.88Å; C120-C136 PolarHBondContact SG-SG 3.25Å; F122-C136 HydrophobicContact CB-CB 4.35Å; Q123-C136 VanDerWaalsContact O-CB 3.27Å; Q123-C136 WeakPolarHBondContact O-CB 3.37Å
137S95.5Very high91Very high42 Ų4257.3 Ų57.329%0.29430%0.296SS..SBendtrans-148.9164.5-172.267.90000111.9Y135 K139 C140 Y141Y135-S137 WeakPolarHBondContact CD2-O 3.39Å; S137-K139 VanDerWaalsContact C-N 3.29Å; S137-K139 PolarHBondContact O-N 3.33Å; S137-C140 WeakPolarHBondContact O-CB 3.45Å; S137-C140 PolarHBondContact O-N 3.31Å; S137-C140 VanDerWaalsContact O-N 3.07Å; S137-C140 PolarHBondContact OG-N 3.03Å; S137-Y141 PolarHBondContact O-N 3.12Å
138R94.4Very high90.5Very high192 Ų19257.7 Ų57.773%0.72529%0.291SS*.Hα-helixtrans-56.5-39.5175.8-176.9179.8168.5176.13.8113.1C140 Y141 E142R138-C140 VanDerWaalsContact C-N 3.29Å; R138-C140 PolarHBondContact O-N 2.8Å; R138-Y141 WeakPolarHBondContact O-CA 3.09Å; R138-Y141 WeakPolarHBondContact O-CB 3.32Å; R138-Y141 PolarHBondContact O-N 3.34Å; R138-E142 IonicContact CZ-OE1 3.02Å; R138-E142 IonicContact NE-OE1 3.93Å; R138-E142 PolarHBondContact NE-OE1 3.4Å; R138-E142 IonicContact NH2-OE1 2.8Å; R138-E142 PolarHBondContact O-N 3.11Å
139K95.3Very high90.2Very high163 Ų16358.5 Ų58.571%0.70930%0.297SS*.Hα-helixtrans-58.2-43.7175.5-67.2-179.1179.3-178.60111.3S137 Y141 E142 I143S137-K139 VanDerWaalsContact C-N 3.29Å; S137-K139 PolarHBondContact O-N 3.33Å; K139-Y141 VanDerWaalsContact C-N 3.34Å; K139-E142 PolarHBondContact O-N 2.98Å; K139-I143 WeakPolarHBondContact O-CG1 3.43Å; K139-I143 PolarHBondContact O-N 3.02Å
140C95.6Very high89.6Confident11 Ų1158.3 Ų58.37%0.07430%0.295CS..Hα-helixtrans-69.2-32.3175.8-67.80000112.3V119 C120 S137 R138 H144V119-C140 HydrophobicContact CB-CB 4.03Å; V119-C140 HydrophobicContact CG1-CB 4.41Å; V119-C140 HydrophobicContact CG2-CB 4.16Å; V119-C140 WeakPolarHBondContact CG2-O 3.38Å; C120-C140 VanDerWaalsContact SG-SG 3.69Å; S137-C140 WeakPolarHBondContact O-CB 3.45Å; S137-C140 PolarHBondContact O-N 3.31Å; S137-C140 VanDerWaalsContact O-N 3.07Å; S137-C140 PolarHBondContact OG-N 3.03Å; R138-C140 VanDerWaalsContact C-N 3.29Å; R138-C140 PolarHBondContact O-N 2.8Å; C140-H144 WeakPolarHBondContact O-CB 3.45Å; C140-H144 PolarHBondContact O-N 3.45Å
141Y93.3Very high88.9Confident49 Ų4964.1 Ų64.119%0.19232%0.32CS..Hα-helixtrans-63.3-43.6173.1175.3-105.4000112.3Y135 S137 R138 K139 H144 S145Y135-Y141 HydrophobicContact CD1-CD2 4.15Å; Y135-Y141 AromaticContact CE1-CD2 3.66Å; Y135-Y141 HydrophobicContact CE1-CD2 3.66Å; Y135-Y141 HydrophobicContact CE1-CE2 4.43Å; Y135-Y141 HydrophobicContact CE1-CG 4.41Å; Y135-Y141 HydrophobicContact CE2-CD2 4.35Å; Y135-Y141 HydrophobicContact CE2-CG 4.32Å; Y135-Y141 AromaticContact CZ-CD2 3.78Å; S137-Y141 PolarHBondContact O-N 3.12Å; R138-Y141 WeakPolarHBondContact O-CA 3.09Å; R138-Y141 WeakPolarHBondContact O-CB 3.32Å; R138-Y141 PolarHBondContact O-N 3.34Å; K139-Y141 VanDerWaalsContact C-N 3.34Å; Y141-H144 CarbonylContact O-C 3.59Å; Y141-H144 WeakPolarHBondContact O-CB 3.38Å; Y141-H144 PolarHBondContact O-N 3.2Å; Y141-S145 WeakPolarHBondContact O-CB 3.44Å; Y141-S145 PolarHBondContact O-N 3.17Å; Y141-S145 PolarHBondContact O-OG 3.25Å
142E93Very high87.8Confident84 Ų8472 Ų7239%0.39335%0.345SS..Hα-helixtrans-62.8-50178.4-71.2168-171.400111R138 K139 H144 S145 D146R138-E142 IonicContact CZ-OE1 3.02Å; R138-E142 IonicContact NE-OE1 3.93Å; R138-E142 PolarHBondContact NE-OE1 3.4Å; R138-E142 IonicContact NH2-OE1 2.8Å; R138-E142 PolarHBondContact O-N 3.11Å; K139-E142 PolarHBondContact O-N 2.98Å; E142-H144 VanDerWaalsContact C-N 3.29Å; E142-H144 PolarHBondContact O-N 2.63Å; E142-S145 WeakPolarHBondContact CA-OG 3.49Å; E142-S145 PolarHBondContact O-N 3.26Å; E142-S145 VanDerWaalsContact O-N 3.11Å; E142-S145 PolarHBondContact O-OG 3.46Å; E142-D146 PolarHBondContact O-N 2.97Å
143I93Very high86.2Confident77 Ų7775.6 Ų75.640%0.39536%0.36SS..Hα-helixtrans-58.1-44.4174.6-63.9165.5000110.8V119 K139 D146 T147V119-I143 HydrophobicContact CG1-CB 4.17Å; V119-I143 HydrophobicContact CG1-CD1 4.08Å; V119-I143 HydrophobicContact CG1-CG2 3.79Å; V119-I143 HydrophobicContact CG2-CG2 4.33Å; K139-I143 WeakPolarHBondContact O-CG1 3.43Å; K139-I143 PolarHBondContact O-N 3.02Å; I143-D146 PolarHBondContact O-N 3.24Å; I143-T147 PolarHBondContact O-N 3.09Å; I143-T147 PolarHBondContact O-OG1 3.08Å
144H92.1Very high84.2Confident2 Ų281 Ų811%0.00941%0.413CS..Iπ-helixtrans-59.2-48.1176167.566.6000110.9V119 C128 C131 C140 Y141 E142 D146 R148 C149V119-H144 HydrophobicContact CG2-CB 4.1Å; C128-H144 VanDerWaalsContact CB-NE2 3.32Å; C128-H144 WeakPolarHBondContact CB-NE2 3.48Å; C128-H144 PolarHBondContact SG-NE2 2.83Å; C131-H144 PolarHBondContact SG-CE1 3.37Å; C131-H144 PolarHBondContact SG-NE2 3.29Å; C140-H144 WeakPolarHBondContact O-CB 3.45Å; C140-H144 PolarHBondContact O-N 3.45Å; Y141-H144 CarbonylContact O-C 3.59Å; Y141-H144 WeakPolarHBondContact O-CB 3.38Å; Y141-H144 PolarHBondContact O-N 3.2Å; E142-H144 VanDerWaalsContact C-N 3.29Å; E142-H144 PolarHBondContact O-N 2.63Å; H144-D146 VanDerWaalsContact C-N 3.28Å; H144-D146 PolarHBondContact O-N 3.33Å; H144-R148 CarbonylContact O-C 3.44Å; H144-R148 WeakPolarHBondContact O-CA 3.42Å; H144-R148 PolarHBondContact O-N 3.14Å; H144-C149 WeakPolarHBondContact NE2-CB 3.43Å; H144-C149 WeakPolarHBondContact O-CB 3.35Å; H144-C149 PolarHBondContact O-N 2.89Å
145S89.2Confident83.7Confident29 Ų2983.8 Ų83.820%0.20343%0.425CS..Iπ-helixtrans-62.7-33.7-17963.70000113.4Y141 E142Y141-S145 WeakPolarHBondContact O-CB 3.44Å; Y141-S145 PolarHBondContact O-N 3.17Å; Y141-S145 PolarHBondContact O-OG 3.25Å; E142-S145 WeakPolarHBondContact CA-OG 3.49Å; E142-S145 PolarHBondContact O-N 3.26Å; E142-S145 VanDerWaalsContact O-N 3.11Å; E142-S145 PolarHBondContact O-OG 3.46Å
146D87.7Confident83.1Confident108 Ų10886.1 Ų86.158%0.57844%0.439SS*.Iπ-helixtrans-80.8-43.3-177-70.4-18.5000112.4E142 I143 H144E142-D146 PolarHBondContact O-N 2.97Å; I143-D146 PolarHBondContact O-N 3.24Å; H144-D146 VanDerWaalsContact C-N 3.28Å; H144-D146 PolarHBondContact O-N 3.33Å
147T86.2Confident82.4Confident64 Ų6489.4 Ų89.439%0.39345%0.454SS..Iπ-helixtrans-109.4-30.4-167.6600000114.8I143I143-T147 PolarHBondContact O-N 3.09Å; I143-T147 PolarHBondContact O-OG1 3.08Å
148R81.2Confident81.6Confident81 Ų8192.2 Ų92.231%0.30646%0.463SS..Iπ-helixtrans-123.1-19-166.7-65.4-178.7178.195.3-12.6114.9H144 M150 K151H144-R148 CarbonylContact O-C 3.44Å; H144-R148 WeakPolarHBondContact O-CA 3.42Å; H144-R148 PolarHBondContact O-N 3.14Å; R148-M150 PolarHBondContact O-N 3.37Å; R148-K151 CarbonylContact C-O 3.56Å; R148-K151 WeakPolarHBondContact CA-O 3.35Å
149C82.1Confident80.8Confident20 Ų2086 Ų8614%0.13545%0.447CS..SBendtrans-73.2115.4-177.7-172.70000108.5H144 K151H144-C149 WeakPolarHBondContact NE2-CB 3.43Å; H144-C149 WeakPolarHBondContact O-CB 3.35Å; H144-C149 PolarHBondContact O-N 2.89Å; C149-K151 PolarHBondContact O-N 2.86Å
150M74.9Confident79.9Confident86 Ų8680.9 Ų80.942%0.42443%0.429SS..SBendtrans623.4-177.3-67.6-58.7-40.100115.8L15 R23 V130 C131 R148L15-M150 HydrophobicContact CD1-SD 4.3Å; R23-M150 PolarHBondContact NH1-SD 3.2Å; V130-M150 HydrophobicContact CG1-CG 3.55Å; V130-M150 HydrophobicContact CG1-SD 4.15Å; C131-M150 HydrophobicContact CB-SD 4.17Å; R148-M150 PolarHBondContact O-N 3.37Å
151K69.4Low78.7Confident132 Ų13285.9 Ų85.957%0.57446%0.455SS*.  trans-123122.9179-64.9175.9-171.6168.90107.8R148 C149R148-K151 CarbonylContact C-O 3.56Å; R148-K151 WeakPolarHBondContact CA-O 3.35Å; C149-K151 PolarHBondContact O-N 2.86Å
152W59.8Low77.6Confident197 Ų19788.7 Ų88.775%0.74648%0.475SS*.  trans-87.5113.8171.5-74.392.8000107.7T27T27-W152 HydrophobicContact CG2-CD2 4.47Å; T27-W152 HydrophobicContact CG2-CH2 4.26Å; T27-W152 HydrophobicContact CG2-CZ2 3.73Å
153V54.6Low76.4Confident107 Ų10789.1 Ų89.165%0.64848%0.482SS*.  trans-106.5107.2159.9-175.20000104.1
154A46.2Very low74.8Confident166 Ų16690.2 Ų90.2100%1.37249%0.49SS*.  trans-73.80161.800000108.4

Retrieved 154 of 154 residues in 416.3 ms (Link to these results)