A0A077ZCL6_TRITR Loading...

SLA LP auto ag domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 90 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.8Low88.3Confident194 Ų19498.1 Ų98.196%0.95651%0.509SS*.  0-62.80-88.4-167-79.400112.6T3 E4 F5M1-T3 PolarHBondContact O-N 3.24Å; M1-E4 PolarHBondContact O-N 3.18Å; M1-F5 WeakPolarHBondContact O-CB 3.22Å; M1-F5 PolarHBondContact O-N 3.07Å
2E80.2Confident88.8Confident114 Ų114101.6 Ų101.653%0.53353%0.528SS..Hα-helixtrans-61.9-44.3-176.3-170.9175.5-171.900113.4E4 F5 W6E2-E4 VanDerWaalsContact C-N 3.32Å; E2-E4 PolarHBondContact O-N 3.01Å; E2-F5 WeakPolarHBondContact O-CB 3.3Å; E2-F5 PolarHBondContact O-N 3.24Å; E2-W6 PolarHBondContact O-N 2.73Å; E2-W6 VanDerWaalsContact O-N 3.11Å
3T83.1Confident89Confident115 Ų115101.3 Ų101.371%0.70653%0.527SS*.Hα-helixtrans-62-40.5175.8-44.30000112.5M1 W6 T7M1-T3 PolarHBondContact O-N 3.24Å; T3-W6 PolarHBondContact O-N 3.47Å; T3-T7 WeakPolarHBondContact O-CB 3.35Å; T3-T7 PolarHBondContact O-N 2.81Å; T3-T7 PolarHBondContact O-OG1 3.31Å
4E92.4Very high89.2Confident127 Ų12796.5 Ų96.559%0.59351%0.514SS*.Hα-helixtrans-65.4-44.3178.2-176.4-179.9-167.400110.8M1 E2 W6 T7 T8M1-E4 PolarHBondContact O-N 3.18Å; E2-E4 VanDerWaalsContact C-N 3.32Å; E2-E4 PolarHBondContact O-N 3.01Å; E4-W6 PolarHBondContact O-N 2.63Å; E4-T7 PolarHBondContact O-N 2.8Å; E4-T7 VanDerWaalsContact O-N 3.16Å; E4-T8 PolarHBondContact O-N 3.47Å; E4-T8 PolarHBondContact O-OG1 2.92Å; E4-T8 VanDerWaalsContact O-OG1 3.1Å
5F91.5Very high89.4Confident117 Ų11799.2 Ų99.251%0.51352%0.52SS..Hα-helixtrans-54-51.2174.8171.3-93.9000111.6M1 E2 T7 T8 L9M1-F5 WeakPolarHBondContact O-CB 3.22Å; M1-F5 PolarHBondContact O-N 3.07Å; E2-F5 WeakPolarHBondContact O-CB 3.3Å; E2-F5 PolarHBondContact O-N 3.24Å; F5-T7 VanDerWaalsContact C-N 3.33Å; F5-T7 PolarHBondContact O-N 2.99Å; F5-T8 PolarHBondContact O-N 3.45Å; F5-L9 HydrophobicContact CE1-CD2 4.11Å; F5-L9 HydrophobicContact CZ-CD2 4.21Å; F5-L9 VanDerWaalsContact O-CB 3.24Å; F5-L9 WeakPolarHBondContact O-CB 3.43Å; F5-L9 PolarHBondContact O-N 3.22Å
6W90.2Very high89.7Confident38 Ų3897.8 Ų97.814%0.14452%0.52CS..Hα-helixtrans-68-32.5180-70.6116.4000113.1E2 T3 E4 L9 T10 A21 H22E2-W6 PolarHBondContact O-N 2.73Å; E2-W6 VanDerWaalsContact O-N 3.11Å; T3-W6 PolarHBondContact O-N 3.47Å; E4-W6 PolarHBondContact O-N 2.63Å; W6-L9 HydrophobicContact CE3-CD2 3.78Å; W6-L9 HydrophobicContact CZ3-CD2 3.59Å; W6-T10 VanDerWaalsContact O-CB 3.3Å; W6-T10 WeakPolarHBondContact O-CB 3.38Å; W6-T10 PolarHBondContact O-N 3.18Å; W6-T10 PolarHBondContact O-OG1 3.05Å; W6-A21 HydrophobicContact CH2-CB 4.3Å; W6-A21 HydrophobicContact CZ3-CB 4.02Å; W6-H22 AromaticContact CD1-CD2 3.78Å; W6-H22 AromaticContact CD1-NE2 3.93Å; W6-H22 HydrophobicContact CD2-CB 3.98Å; W6-H22 AromaticContact CD2-CD2 3.84Å; W6-H22 AromaticContact CE2-CD2 3.3Å; W6-H22 AromaticContact CE2-CG 3.9Å; W6-H22 HydrophobicContact CE3-CB 3.86Å; W6-H22 VanDerWaalsContact CH2-CA 3.48Å; W6-H22 HydrophobicContact CH2-CB 3.86Å; W6-H22 HydrophobicContact CZ2-CB 3.97Å; W6-H22 AromaticContact CZ2-CD2 3.65Å; W6-H22 HydrophobicContact CZ3-CB 3.79Å; W6-H22 AromaticContact NE1-CD2 3.25Å; W6-H22 PolarHBondContact NE1-CD2 3.44Å; W6-H22 VanDerWaalsContact NE1-CD2 3.25Å; W6-H22 AromaticContact NE1-NE2 3.71Å
7T91.9Very high89.8Confident75 Ų7597.8 Ų97.846%0.4652%0.521SS..Hα-helixtrans-65.3-53.5175.4-51.90000110.4T3 E4 F5 L9 T10 D11T3-T7 WeakPolarHBondContact O-CB 3.35Å; T3-T7 PolarHBondContact O-N 2.81Å; T3-T7 PolarHBondContact O-OG1 3.31Å; E4-T7 PolarHBondContact O-N 2.8Å; E4-T7 VanDerWaalsContact O-N 3.16Å; F5-T7 VanDerWaalsContact C-N 3.33Å; F5-T7 PolarHBondContact O-N 2.99Å; T7-L9 VanDerWaalsContact C-N 3.32Å; T7-L9 PolarHBondContact O-N 3.06Å; T7-T10 WeakPolarHBondContact O-CB 3.47Å; T7-T10 PolarHBondContact O-N 3.14Å; T7-T10 VanDerWaalsContact O-N 3.14Å; T7-D11 PolarHBondContact O-N 3.46Å; T7-D11 VanDerWaalsContact O-N 3.13Å
8T94.1Very high90Very high87 Ų8792.4 Ų92.453%0.53449%0.492SS..Hα-helixtrans-63.1-37.5178.8-52.20000112.2E4 F5 T10 D11 L12E4-T8 PolarHBondContact O-N 3.47Å; E4-T8 PolarHBondContact O-OG1 2.92Å; E4-T8 VanDerWaalsContact O-OG1 3.1Å; F5-T8 PolarHBondContact O-N 3.45Å; T8-T10 VanDerWaalsContact C-N 3.32Å; T8-T10 PolarHBondContact O-N 3.37Å; T8-D11 PolarHBondContact O-N 3.23Å; T8-L12 PolarHBondContact O-N 2.93Å
9L91Very high90Very high37 Ų3792.5 Ų92.519%0.19449%0.49CS..Hα-helixtrans-65.5-38.2176.4-168.771000111.8F5 W6 T7 D11 L12 L13 S18F5-L9 HydrophobicContact CE1-CD2 4.11Å; F5-L9 HydrophobicContact CZ-CD2 4.21Å; F5-L9 VanDerWaalsContact O-CB 3.24Å; F5-L9 WeakPolarHBondContact O-CB 3.43Å; F5-L9 PolarHBondContact O-N 3.22Å; W6-L9 HydrophobicContact CE3-CD2 3.78Å; W6-L9 HydrophobicContact CZ3-CD2 3.59Å; T7-L9 VanDerWaalsContact C-N 3.32Å; T7-L9 PolarHBondContact O-N 3.06Å; L9-D11 VanDerWaalsContact C-N 3.31Å; L9-D11 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-L12 VanDerWaalsContact O-N 3.15Å; L9-L13 HydrophobicContact CD1-CD1 3.63Å; L9-L13 HydrophobicContact CD1-CG 4.15Å; L9-L13 HydrophobicContact CD2-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 3.93Å; L9-L13 HydrophobicContact CG-CG 4.46Å; L9-L13 PolarHBondContact O-N 3.2Å; L9-S18 PolarHBondContact O-OG 3.29Å
10T94.5Very high90.2Very high42 Ų4296.8 Ų96.826%0.25850%0.498SS..Hα-helixtrans-61.3-41.3175.8-64.30000111.8W6 T7 T8 L12 G14 K15 S18W6-T10 VanDerWaalsContact O-CB 3.3Å; W6-T10 WeakPolarHBondContact O-CB 3.38Å; W6-T10 PolarHBondContact O-N 3.18Å; W6-T10 PolarHBondContact O-OG1 3.05Å; T7-T10 WeakPolarHBondContact O-CB 3.47Å; T7-T10 PolarHBondContact O-N 3.14Å; T7-T10 VanDerWaalsContact O-N 3.14Å; T8-T10 VanDerWaalsContact C-N 3.32Å; T8-T10 PolarHBondContact O-N 3.37Å; T10-L12 VanDerWaalsContact C-N 3.25Å; T10-L12 PolarHBondContact O-N 3.22Å; T10-G14 CarbonylContact O-C 3.42Å; T10-G14 VanDerWaalsContact O-CA 3.24Å; T10-G14 WeakPolarHBondContact O-CA 3.12Å; T10-G14 PolarHBondContact O-N 3.33Å; T10-K15 HydrophobicContact CG2-CB 4.17Å; T10-S18 WeakPolarHBondContact CA-OG 3.48Å; T10-S18 WeakPolarHBondContact OG1-CB 3.29Å
11D93.5Very high90.3Very high133 Ų13394.1 Ų94.171%0.71149%0.491SS*.Hα-helixtrans-64.5-31.4176.4-65-23.9000112.1T7 T8 L9T7-D11 PolarHBondContact O-N 3.46Å; T7-D11 VanDerWaalsContact O-N 3.13Å; T8-D11 PolarHBondContact O-N 3.23Å; L9-D11 VanDerWaalsContact C-N 3.31Å; L9-D11 PolarHBondContact O-N 3.45Å
12L94.2Very high91.4Very high140 Ų14086.7 Ų86.773%0.73345%0.454SS*.Hα-helixtrans-84.9-46.4-178-174.566000114T8 L9 T10T8-L12 PolarHBondContact O-N 2.93Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-L12 VanDerWaalsContact O-N 3.15Å; T10-L12 VanDerWaalsContact C-N 3.25Å; T10-L12 PolarHBondContact O-N 3.22Å
13L92Very high92.1Very high98 Ų9885.5 Ų85.551%0.51345%0.451SS..Hα-helixtrans-101.8-6.2-171.4-63.3-178.6000113.7L9L9-L13 HydrophobicContact CD1-CD1 3.63Å; L9-L13 HydrophobicContact CD1-CG 4.15Å; L9-L13 HydrophobicContact CD2-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 3.93Å; L9-L13 HydrophobicContact CG-CG 4.46Å; L9-L13 PolarHBondContact O-N 3.2Å
14G92.2Very high92.6Very high34 Ų3483.3 Ų83.335%0.35144%0.44SS..  trans82.7156.6-171.200000112.9T10 S18T10-G14 CarbonylContact O-C 3.42Å; T10-G14 VanDerWaalsContact O-CA 3.24Å; T10-G14 WeakPolarHBondContact O-CA 3.12Å; T10-G14 PolarHBondContact O-N 3.33Å; G14-S18 WeakPolarHBondContact O-CB 3.44Å; G14-S18 PolarHBondContact O-N 3.09Å; G14-S18 PolarHBondContact O-OG 3.45Å
15K92Very high92.6Very high137 Ų13778.9 Ų78.960%0.59642%0.423SS*.Hα-helixtrans-58.6-52.3-172.6-174.6174.9176.61790114T10 N17 S18 E19T10-K15 HydrophobicContact CG2-CB 4.17Å; K15-N17 PolarHBondContact O-N 3.02Å; K15-S18 PolarHBondContact O-N 3.06Å; K15-E19 WeakPolarHBondContact CE-OE1 3.46Å; K15-E19 HydrophobicContact CG-CG 4.26Å; K15-E19 WeakPolarHBondContact CG-OE1 3.48Å; K15-E19 IonicContact NZ-OE1 3.87Å; K15-E19 WeakPolarHBondContact O-CB 3.46Å; K15-E19 WeakPolarHBondContact O-CG 3.4Å; K15-E19 PolarHBondContact O-N 3.04Å
16S93.2Very high92.8Very high76 Ų7679.2 Ų79.253%0.53142%0.421SS..Hα-helixtrans-60.3-46.1-173.6177.70000113.1R20S16-R20 VanDerWaalsContact O-CG 3.31Å; S16-R20 WeakPolarHBondContact O-CG 3.36Å; S16-R20 PolarHBondContact O-N 3.3Å
17N91.7Very high93Very high98 Ų9880.8 Ų80.852%0.52444%0.438SS..Hα-helixtrans-67.7-39.1179.6-73-25000111.8K15 R20 A21K15-N17 PolarHBondContact O-N 3.02Å; N17-R20 PolarHBondContact O-N 3.4Å; N17-A21 WeakPolarHBondContact O-CB 3.47Å; N17-A21 PolarHBondContact O-N 2.92Å
18S92.9Very high93.2Very high2 Ų279.7 Ų79.71%0.01443%0.425CS..Hα-helixtrans-68.6-41-179.1-56.20000112L9 T10 G14 K15 A21 H22L9-S18 PolarHBondContact O-OG 3.29Å; T10-S18 WeakPolarHBondContact CA-OG 3.48Å; T10-S18 WeakPolarHBondContact OG1-CB 3.29Å; G14-S18 WeakPolarHBondContact O-CB 3.44Å; G14-S18 PolarHBondContact O-N 3.09Å; G14-S18 PolarHBondContact O-OG 3.45Å; K15-S18 PolarHBondContact O-N 3.06Å; S18-A21 PolarHBondContact O-N 3.41Å; S18-H22 WeakPolarHBondContact O-CB 3.5Å; S18-H22 PolarHBondContact O-N 3.12Å
19E91.5Very high93.3Very high94 Ų9478.2 Ų78.244%0.43941%0.412SS..Hα-helixtrans-61.6-45.8174.5-74175.416100111.4K15 A21 H22 D23K15-E19 WeakPolarHBondContact CE-OE1 3.46Å; K15-E19 HydrophobicContact CG-CG 4.26Å; K15-E19 WeakPolarHBondContact CG-OE1 3.48Å; K15-E19 IonicContact NZ-OE1 3.87Å; K15-E19 WeakPolarHBondContact O-CB 3.46Å; K15-E19 WeakPolarHBondContact O-CG 3.4Å; K15-E19 PolarHBondContact O-N 3.04Å; E19-A21 VanDerWaalsContact C-N 3.32Å; E19-A21 PolarHBondContact O-N 3.41Å; E19-H22 PolarHBondContact O-N 3.08Å; E19-D23 PolarHBondContact O-N 2.93Å
20R93Very high93.6Very high177 Ų17783.1 Ų83.167%0.66843%0.432SS*.Hα-helixtrans-61.9-39176.8-70175.770178.72.8112.5S16 N17 S24S16-R20 VanDerWaalsContact O-CG 3.31Å; S16-R20 WeakPolarHBondContact O-CG 3.36Å; S16-R20 PolarHBondContact O-N 3.3Å; N17-R20 PolarHBondContact O-N 3.4Å; R20-S24 WeakPolarHBondContact O-CB 3.47Å; R20-S24 PolarHBondContact O-N 3.34Å
21A92.8Very high93.7Very high41 Ų4184.6 Ų84.634%0.33944%0.435SS..Hα-helixtrans-66.1-41.317700000111.9W6 N17 S18 E19 S24 S25W6-A21 HydrophobicContact CH2-CB 4.3Å; W6-A21 HydrophobicContact CZ3-CB 4.02Å; N17-A21 WeakPolarHBondContact O-CB 3.47Å; N17-A21 PolarHBondContact O-N 2.92Å; S18-A21 PolarHBondContact O-N 3.41Å; E19-A21 VanDerWaalsContact C-N 3.32Å; E19-A21 PolarHBondContact O-N 3.41Å; A21-S24 PolarHBondContact O-N 3.47Å; A21-S25 PolarHBondContact O-N 2.94Å; A21-S25 VanDerWaalsContact O-N 3.1Å; A21-S25 PolarHBondContact O-OG 3.05Å
22H92.2Very high93.8Very high39 Ų3979 Ų7918%0.18141%0.405CS..Hα-helixtrans-66.7-43.8176.6-179.3-136.1000112.1W6 S18 E19 S24 S25 R26W6-H22 AromaticContact CD1-CD2 3.78Å; W6-H22 AromaticContact CD1-NE2 3.93Å; W6-H22 HydrophobicContact CD2-CB 3.98Å; W6-H22 AromaticContact CD2-CD2 3.84Å; W6-H22 AromaticContact CE2-CD2 3.3Å; W6-H22 AromaticContact CE2-CG 3.9Å; W6-H22 HydrophobicContact CE3-CB 3.86Å; W6-H22 VanDerWaalsContact CH2-CA 3.48Å; W6-H22 HydrophobicContact CH2-CB 3.86Å; W6-H22 HydrophobicContact CZ2-CB 3.97Å; W6-H22 AromaticContact CZ2-CD2 3.65Å; W6-H22 HydrophobicContact CZ3-CB 3.79Å; W6-H22 AromaticContact NE1-CD2 3.25Å; W6-H22 PolarHBondContact NE1-CD2 3.44Å; W6-H22 VanDerWaalsContact NE1-CD2 3.25Å; W6-H22 AromaticContact NE1-NE2 3.71Å; S18-H22 WeakPolarHBondContact O-CB 3.5Å; S18-H22 PolarHBondContact O-N 3.12Å; E19-H22 PolarHBondContact O-N 3.08Å; H22-S24 VanDerWaalsContact C-N 3.33Å; H22-S24 PolarHBondContact O-N 3.38Å; H22-S25 WeakPolarHBondContact O-CB 3.36Å; H22-S25 PolarHBondContact O-N 3.31Å; H22-R26 PolarHBondContact CE1-NE 3.33Å; H22-R26 PolarHBondContact CE1-NH2 2.93Å; H22-R26 PolarHBondContact NE2-NE 3.44Å; H22-R26 VanDerWaalsContact NE2-NE 3.13Å; H22-R26 WeakPolarHBondContact O-CG 3.43Å; H22-R26 PolarHBondContact O-N 3.23Å
23D93.6Very high94Very high88 Ų8876.1 Ų76.147%0.47139%0.39SS..Hα-helixtrans-62.7-40.4176.5-76.6-19.7000112.1E19 S25 R26 C27E19-D23 PolarHBondContact O-N 2.93Å; D23-S25 VanDerWaalsContact C-N 3.33Å; D23-S25 PolarHBondContact O-N 2.79Å; D23-R26 PolarHBondContact O-N 3.21Å; D23-C27 PolarHBondContact O-N 3.5Å; D23-C27 PolarHBondContact O-SG 3.45Å; D23-C27 VanDerWaalsContact O-SG 3.38Å
24S93.9Very high94.2Very high69 Ų6976.2 Ų76.248%0.48339%0.387SS..Hα-helixtrans-58.9-44.3173.6-176.50000111.9R20 A21 H22 R26 C27 R28R20-S24 WeakPolarHBondContact O-CB 3.47Å; R20-S24 PolarHBondContact O-N 3.34Å; A21-S24 PolarHBondContact O-N 3.47Å; H22-S24 VanDerWaalsContact C-N 3.33Å; H22-S24 PolarHBondContact O-N 3.38Å; S24-R26 PolarHBondContact O-N 3.46Å; S24-C27 PolarHBondContact O-N 3.38Å; S24-R28 PolarHBondContact O-N 3.03Å
25S93Very high94.5Very high34 Ų3476.6 Ų76.624%0.23838%0.381CS..Hα-helixtrans-62.7-44.2177.2-58.10000111.5A21 H22 D23 C27 R28 E29A21-S25 PolarHBondContact O-N 2.94Å; A21-S25 VanDerWaalsContact O-N 3.1Å; A21-S25 PolarHBondContact O-OG 3.05Å; H22-S25 WeakPolarHBondContact O-CB 3.36Å; H22-S25 PolarHBondContact O-N 3.31Å; D23-S25 VanDerWaalsContact C-N 3.33Å; D23-S25 PolarHBondContact O-N 2.79Å; S25-C27 PolarHBondContact O-N 3.29Å; S25-R28 WeakPolarHBondContact O-CB 3.19Å; S25-R28 PolarHBondContact O-N 3.44Å; S25-E29 WeakPolarHBondContact O-CG 3.37Å; S25-E29 PolarHBondContact O-N 3.49Å
26R94.5Very high94.7Very high124 Ų12474.4 Ų74.447%0.46838%0.376SS..Hα-helixtrans-63.7-37.7176.7-74.3176.1167.8-167-6.7113.2H22 D23 S24 R28 E29 K30H22-R26 PolarHBondContact CE1-NE 3.33Å; H22-R26 PolarHBondContact CE1-NH2 2.93Å; H22-R26 PolarHBondContact NE2-NE 3.44Å; H22-R26 VanDerWaalsContact NE2-NE 3.13Å; H22-R26 WeakPolarHBondContact O-CG 3.43Å; H22-R26 PolarHBondContact O-N 3.23Å; D23-R26 PolarHBondContact O-N 3.21Å; S24-R26 PolarHBondContact O-N 3.46Å; R26-R28 VanDerWaalsContact C-N 3.27Å; R26-R28 PolarHBondContact O-N 3.18Å; R26-E29 PolarHBondContact O-N 2.91Å; R26-K30 WeakPolarHBondContact O-CG 3.39Å; R26-K30 PolarHBondContact O-N 2.81Å
27C95.1Very high94.9Very high72 Ų7279.7 Ų79.749%0.48638%0.384SS..Hα-helixtrans-60.4-40.5175.2-77.40000111.3D23 S24 S25 K30 K31D23-C27 PolarHBondContact O-N 3.5Å; D23-C27 PolarHBondContact O-SG 3.45Å; D23-C27 VanDerWaalsContact O-SG 3.38Å; S24-C27 PolarHBondContact O-N 3.38Å; S25-C27 PolarHBondContact O-N 3.29Å; C27-K30 PolarHBondContact O-N 2.99Å; C27-K31 PolarHBondContact O-N 3.42Å
28R95.9Very high95.2Very high51 Ų5180.8 Ų80.819%0.19239%0.386CS..Hα-helixtrans-64.3-45.6174.6-168.9173.7-75.9139.81.9112.1S24 S25 R26 K30 K31 I32 T50 Y53S24-R28 PolarHBondContact O-N 3.03Å; S25-R28 WeakPolarHBondContact O-CB 3.19Å; S25-R28 PolarHBondContact O-N 3.44Å; R26-R28 VanDerWaalsContact C-N 3.27Å; R26-R28 PolarHBondContact O-N 3.18Å; R28-K30 VanDerWaalsContact C-N 3.31Å; R28-K30 PolarHBondContact O-N 3.24Å; R28-K31 WeakPolarHBondContact O-CB 3.31Å; R28-K31 PolarHBondContact O-N 2.84Å; R28-I32 HydrophobicContact CG-CD1 4.47Å; R28-I32 PolarHBondContact O-N 3.3Å; R28-T50 HydrophobicContact CG-CG2 3.64Å; R28-T50 PolarHBondContact NE-OG1 2.92Å; R28-Y53 VanDerWaalsContact CD-CG 3.5Å; R28-Y53 HydrophobicContact CG-CD1 3.99Å; R28-Y53 HydrophobicContact CG-CE1 4.47Å; R28-Y53 HydrophobicContact CG-CG 4.38Å
29E96.2Very high95.4Very high56 Ų5689.5 Ų89.526%0.26242%0.423SS..Hα-helixtrans-61.8-37.4177.4-70.1176.6169.300112.8S25 R26 K31 I32 L33 Y53S25-E29 WeakPolarHBondContact O-CG 3.37Å; S25-E29 PolarHBondContact O-N 3.49Å; R26-E29 PolarHBondContact O-N 2.91Å; E29-K31 PolarHBondContact O-N 3.32Å; E29-I32 PolarHBondContact O-N 3.01Å; E29-L33 WeakPolarHBondContact O-CB 3.35Å; E29-L33 WeakPolarHBondContact O-CG 3.16Å; E29-L33 PolarHBondContact O-N 3.11Å; E29-Y53 HydrophobicContact CG-CE1 4.26Å; E29-Y53 PolarHBondContact OE1-OH 3.33Å; E29-Y53 VanDerWaalsContact OE1-OH 3.14Å
30K96.6Very high95.7Very high141 Ų14192.6 Ų92.661%0.61344%0.435SS*.Hα-helixtrans-60.1-43.8175-76.2174.2-177.5175.90112.2R26 C27 R28 I32 L33 Q34R26-K30 WeakPolarHBondContact O-CG 3.39Å; R26-K30 PolarHBondContact O-N 2.81Å; C27-K30 PolarHBondContact O-N 2.99Å; R28-K30 VanDerWaalsContact C-N 3.31Å; R28-K30 PolarHBondContact O-N 3.24Å; K30-I32 VanDerWaalsContact C-N 3.31Å; K30-I32 PolarHBondContact O-N 2.91Å; K30-L33 PolarHBondContact O-N 3.14Å; K30-Q34 PolarHBondContact O-N 3.25Å
31K97Very high95.8Very high73 Ų7391.5 Ų91.532%0.31744%0.441SS..Hα-helixtrans-58.4-46175.4-69.2-175.5175.9-171.10110.6C27 R28 E29 Q34 L35 W46C27-K31 PolarHBondContact O-N 3.42Å; R28-K31 WeakPolarHBondContact O-CB 3.31Å; R28-K31 PolarHBondContact O-N 2.84Å; E29-K31 PolarHBondContact O-N 3.32Å; K31-Q34 WeakPolarHBondContact O-CB 3.24Å; K31-Q34 PolarHBondContact O-N 2.69Å; K31-L35 PolarHBondContact O-N 3.14Å; K31-W46 HydrophobicContact CB-CZ2 3.92Å; K31-W46 VanDerWaalsContact O-CZ2 3.3Å; K31-W46 WeakPolarHBondContact O-CZ2 3.5Å
32I96.9Very high96Very high15 Ų1591.4 Ų91.48%0.07744%0.437CS..Hα-helixtrans-62.7-45.4178.3-66.5167000111.6R28 E29 K30 Q34 L35 L36 W46 Y53 F54R28-I32 HydrophobicContact CG-CD1 4.47Å; R28-I32 PolarHBondContact O-N 3.3Å; E29-I32 PolarHBondContact O-N 3.01Å; K30-I32 VanDerWaalsContact C-N 3.31Å; K30-I32 PolarHBondContact O-N 2.91Å; I32-Q34 VanDerWaalsContact C-N 3.28Å; I32-Q34 PolarHBondContact O-N 3.06Å; I32-L35 WeakPolarHBondContact O-CB 3.44Å; I32-L35 PolarHBondContact O-N 3.44Å; I32-L36 HydrophobicContact CG2-CD1 3.85Å; I32-L36 HydrophobicContact CG2-CG 4.27Å; I32-L36 WeakPolarHBondContact O-CG 3.37Å; I32-L36 PolarHBondContact O-N 3.18Å; I32-W46 HydrophobicContact CB-CH2 4.3Å; I32-W46 HydrophobicContact CG1-CH2 3.73Å; I32-W46 HydrophobicContact CG1-CZ3 3.93Å; I32-Y53 HydrophobicContact CD1-CD1 3.53Å; I32-Y53 HydrophobicContact CD1-CE1 3.83Å; I32-F54 HydrophobicContact CB-CD2 4.48Å; I32-F54 HydrophobicContact CD1-CB 3.78Å; I32-F54 HydrophobicContact CD1-CD2 4.16Å; I32-F54 HydrophobicContact CD1-CG 4.3Å; I32-F54 HydrophobicContact CG1-CB 4.06Å; I32-F54 HydrophobicContact CG1-CD2 4.17Å; I32-F54 HydrophobicContact CG1-CG 4.23Å; I32-F54 HydrophobicContact CG2-CD2 3.51Å; I32-F54 HydrophobicContact CG2-CE2 3.7Å; I32-F54 HydrophobicContact CG2-CG 4.33Å
33L97.1Very high96.1Very high80 Ų8096.9 Ų96.942%0.41947%0.468SS..Hα-helixtrans-61.6-37.4176.5-74172.6000112E29 K30 L36 R37E29-L33 WeakPolarHBondContact O-CB 3.35Å; E29-L33 WeakPolarHBondContact O-CG 3.16Å; E29-L33 PolarHBondContact O-N 3.11Å; K30-L33 PolarHBondContact O-N 3.14Å; L33-L36 PolarHBondContact O-N 3.1Å; L33-R37 VanDerWaalsContact O-CB 3.24Å; L33-R37 WeakPolarHBondContact O-CB 3.5Å; L33-R37 WeakPolarHBondContact O-CG 3.41Å; L33-R37 PolarHBondContact O-N 2.98Å
34Q97.3Very high96.1Very high99 Ų9999.2 Ų99.246%0.46348%0.475SS..Hα-helixtrans-61.8-48.4174.8-173.2-177.8-20.600110.9K30 K31 I32 L36 R37 H38K30-Q34 PolarHBondContact O-N 3.25Å; K31-Q34 WeakPolarHBondContact O-CB 3.24Å; K31-Q34 PolarHBondContact O-N 2.69Å; I32-Q34 VanDerWaalsContact C-N 3.28Å; I32-Q34 PolarHBondContact O-N 3.06Å; Q34-L36 PolarHBondContact O-N 2.99Å; Q34-R37 PolarHBondContact O-N 3.44Å; Q34-H38 WeakPolarHBondContact O-CB 3.02Å; Q34-H38 PolarHBondContact O-CD2 3.11Å; Q34-H38 PolarHBondContact O-N 3.24Å
35L97.9Very high96.3Very high42 Ų42100.4 Ų100.422%0.2248%0.482CS..Hα-helixtrans-56.3-51.3175174.765.3000111.2K31 I32 R37 K39 K40 W46 F54K31-L35 PolarHBondContact O-N 3.14Å; I32-L35 WeakPolarHBondContact O-CB 3.44Å; I32-L35 PolarHBondContact O-N 3.44Å; L35-R37 PolarHBondContact O-N 2.96Å; L35-K39 VanDerWaalsContact O-CA 3.29Å; L35-K39 WeakPolarHBondContact O-CA 3.24Å; L35-K39 PolarHBondContact O-N 2.89Å; L35-K40 VanDerWaalsContact CD1-O 3.22Å; L35-K40 WeakPolarHBondContact CD1-O 3.38Å; L35-W46 HydrophobicContact CB-CH2 3.82Å; L35-W46 HydrophobicContact CB-CZ2 3.85Å; L35-W46 HydrophobicContact CD2-CH2 3.46Å; L35-W46 VanDerWaalsContact CD2-CH2 3.46Å; L35-W46 HydrophobicContact CD2-CZ2 4.15Å; L35-W46 HydrophobicContact CD2-CZ3 4.06Å; L35-W46 HydrophobicContact CG-CH2 4.26Å; L35-F54 HydrophobicContact CD2-CD1 4.38Å; L35-F54 HydrophobicContact CD2-CE1 3.82Å; L35-F54 HydrophobicContact CD2-CZ 4.32Å
36L97.1Very high96.4Very high92 Ų92100.7 Ų100.748%0.48248%0.478SS..Hα-helixtrans-65.7-38.1-175.9-68.6175.8000112.9I32 L33 Q34 F54I32-L36 HydrophobicContact CG2-CD1 3.85Å; I32-L36 HydrophobicContact CG2-CG 4.27Å; I32-L36 WeakPolarHBondContact O-CG 3.37Å; I32-L36 PolarHBondContact O-N 3.18Å; L33-L36 PolarHBondContact O-N 3.1Å; Q34-L36 PolarHBondContact O-N 2.99Å; L36-F54 HydrophobicContact CD1-CE2 4.42Å; L36-F54 HydrophobicContact CD2-CE2 4.19Å; L36-F54 HydrophobicContact CD2-CZ 3.95Å; L36-F54 HydrophobicContact CG-CE2 4.48Å
37R97.7Very high96.6Very high186 Ų18698.6 Ų98.670%0.70248%0.476SS*.Hα-helixtrans-72-45.4179.6-74.3173.4179.6-1770.6112.1L33 Q34 L35L33-R37 VanDerWaalsContact O-CB 3.24Å; L33-R37 WeakPolarHBondContact O-CB 3.5Å; L33-R37 WeakPolarHBondContact O-CG 3.41Å; L33-R37 PolarHBondContact O-N 2.98Å; Q34-R37 PolarHBondContact O-N 3.44Å; L35-R37 PolarHBondContact O-N 2.96Å
38H97.2Very high96.7Very high122 Ų122100.9 Ų100.957%0.56548%0.483SS*.Hα-helixtrans-92.2-20.4-172.7-62.1-64.2000113.5Q34 K40Q34-H38 WeakPolarHBondContact O-CB 3.02Å; Q34-H38 PolarHBondContact O-CD2 3.11Å; Q34-H38 PolarHBondContact O-N 3.24Å; H38-K40 PolarHBondContact O-N 3.39Å
39K97.4Very high96.7Very high184 Ų184102.5 Ų102.580%0.850%0.498SS*.  trans53.136.8-177.4-54.8178.6-177.6179.60112.5L35L35-K39 VanDerWaalsContact O-CA 3.29Å; L35-K39 WeakPolarHBondContact O-CA 3.24Å; L35-K39 PolarHBondContact O-N 2.89Å
40K97.3Very high96.7Very high159 Ų159100 Ų10069%0.69149%0.487SS*.SBendtrans-123.6150.4178.9-71.9-177.7-178.6-173.80109.3L35 H38L35-K40 VanDerWaalsContact CD1-O 3.22Å; L35-K40 WeakPolarHBondContact CD1-O 3.38Å; H38-K40 PolarHBondContact O-N 3.39Å
41I96Very high96.8Very high154 Ų15496 Ų9679%0.7947%0.472SS*.  trans-56133.9171.1-166165.2000109
42P95.9Very high96.8Very high39 Ų3998.1 Ų98.125%0.25348%0.483SS..  trans-61141.6175.3-23.335000111.1E44 W46P42-E44 VanDerWaalsContact C-N 3.33Å; P42-E44 WeakPolarHBondContact CB-O 3.37Å; P42-W46 HydrophobicContact CG-CZ2 3.96Å
43D94.6Very high96.8Very high155 Ų155100.3 Ų100.383%0.82949%0.491SS*.SBendtrans-66.1-39.5175.7-59-48000111.2
44E94.7Very high96.8Very high136 Ų13697.8 Ų97.864%0.63648%0.476SS*.SBendtrans-97.3127.5173.6-176.662.9-151.500109.9P42P42-E44 VanDerWaalsContact C-N 3.33Å; P42-E44 WeakPolarHBondContact CB-O 3.37Å
45P96.4Very high96.8Very high95 Ų9596.5 Ų96.562%0.61747%0.469SS*.PPolyproline II helixtrans-59.5152.8177.325.5-35.5000112.2
46W96.8Very high96.8Very high39 Ų3996.3 Ų96.315%0.14848%0.477CS..PPolyproline II helixtrans-92.9145.3173.5-67.25.6000109.9K31 I32 L35 P42 T50 I51 F54K31-W46 HydrophobicContact CB-CZ2 3.92Å; K31-W46 VanDerWaalsContact O-CZ2 3.3Å; K31-W46 WeakPolarHBondContact O-CZ2 3.5Å; I32-W46 HydrophobicContact CB-CH2 4.3Å; I32-W46 HydrophobicContact CG1-CH2 3.73Å; I32-W46 HydrophobicContact CG1-CZ3 3.93Å; L35-W46 HydrophobicContact CB-CH2 3.82Å; L35-W46 HydrophobicContact CB-CZ2 3.85Å; L35-W46 HydrophobicContact CD2-CH2 3.46Å; L35-W46 VanDerWaalsContact CD2-CH2 3.46Å; L35-W46 HydrophobicContact CD2-CZ2 4.15Å; L35-W46 HydrophobicContact CD2-CZ3 4.06Å; L35-W46 HydrophobicContact CG-CH2 4.26Å; P42-W46 HydrophobicContact CG-CZ2 3.96Å; W46-T50 HydrophobicContact CB-CG2 4.05Å; W46-T50 HydrophobicContact CD2-CG2 3.69Å; W46-T50 HydrophobicContact CE3-CG2 3.65Å; W46-T50 HydrophobicContact CG-CG2 3.88Å; W46-T50 HydrophobicContact CZ3-CG2 4.36Å; W46-I51 HydrophobicContact CB-CD1 4.36Å; W46-I51 HydrophobicContact CB-CG1 3.85Å; W46-I51 HydrophobicContact CE3-CG1 4.28Å; W46-F54 HydrophobicContact CZ3-CB 4.14Å; W46-F54 HydrophobicContact CZ3-CD1 4.02Å; W46-F54 HydrophobicContact CZ3-CG 4.23Å
47D97Very high96.7Very high80 Ų8097.1 Ų97.143%0.42848%0.477SS..PPolyproline II helixtrans-70.1158.2165.756.751.2000111V49 T50 I51D47-V49 PolarHBondContact O-N 3.31Å; D47-V49 PolarHBondContact OD1-N 3.44Å; D47-T50 WeakPolarHBondContact O-CB 3.32Å; D47-T50 PolarHBondContact O-N 3.02Å; D47-T50 WeakPolarHBondContact OD1-CA 3.46Å; D47-T50 WeakPolarHBondContact OD1-CB 3.46Å; D47-T50 PolarHBondContact OD1-N 3.17Å; D47-T50 PolarHBondContact OD1-OG1 3.4Å; D47-I51 PolarHBondContact O-N 3.41Å
48D97.9Very high96.7Very high121 Ų12191.7 Ų91.765%0.64746%0.461SS*.Hα-helixtrans-56.9-38.2-178.3-65-25.7000111.8T50 I51 E52D48-T50 VanDerWaalsContact C-N 3.27Å; D48-T50 PolarHBondContact O-N 3.27Å; D48-I51 PolarHBondContact O-N 3.2Å; D48-E52 WeakPolarHBondContact O-CB 3.45Å; D48-E52 WeakPolarHBondContact O-CG 3.47Å; D48-E52 PolarHBondContact O-N 3.24Å
49V96.2Very high96.8Very high84 Ų8486.6 Ų86.651%0.50944%0.44SS..Hα-helixtrans-61.4-38178.3-174.90000111.4D47 Y53D47-V49 PolarHBondContact O-N 3.31Å; D47-V49 PolarHBondContact OD1-N 3.44Å; V49-Y53 WeakPolarHBondContact O-CB 3.37Å; V49-Y53 PolarHBondContact O-N 2.8Å
50T96.7Very high96.7Very high4 Ų480.8 Ų80.83%0.02543%0.426CS..Hα-helixtrans-72.5-38.9177.9-62.20000111.6R28 W46 D47 D48 F54R28-T50 HydrophobicContact CG-CG2 3.64Å; R28-T50 PolarHBondContact NE-OG1 2.92Å; W46-T50 HydrophobicContact CB-CG2 4.05Å; W46-T50 HydrophobicContact CD2-CG2 3.69Å; W46-T50 HydrophobicContact CE3-CG2 3.65Å; W46-T50 HydrophobicContact CG-CG2 3.88Å; W46-T50 HydrophobicContact CZ3-CG2 4.36Å; D47-T50 WeakPolarHBondContact O-CB 3.32Å; D47-T50 PolarHBondContact O-N 3.02Å; D47-T50 WeakPolarHBondContact OD1-CA 3.46Å; D47-T50 WeakPolarHBondContact OD1-CB 3.46Å; D47-T50 PolarHBondContact OD1-N 3.17Å; D47-T50 PolarHBondContact OD1-OG1 3.4Å; D48-T50 VanDerWaalsContact C-N 3.27Å; D48-T50 PolarHBondContact O-N 3.27Å; T50-F54 PolarHBondContact O-N 3.2Å; T50-F54 VanDerWaalsContact O-N 3.08Å
51I97.4Very high96.7Very high56 Ų5679.6 Ų79.629%0.28743%0.425SS..Hα-helixtrans-63.2-51.1174.4-64.5170000110W46 D47 D48 Y53 F54 F55W46-I51 HydrophobicContact CB-CD1 4.36Å; W46-I51 HydrophobicContact CB-CG1 3.85Å; W46-I51 HydrophobicContact CE3-CG1 4.28Å; D47-I51 PolarHBondContact O-N 3.41Å; D48-I51 PolarHBondContact O-N 3.2Å; I51-Y53 VanDerWaalsContact C-N 3.35Å; I51-Y53 PolarHBondContact O-N 3.18Å; I51-F54 WeakPolarHBondContact O-CB 3.49Å; I51-F54 PolarHBondContact O-N 2.93Å; I51-F54 VanDerWaalsContact O-N 3.12Å; I51-F55 HydrophobicContact CG2-CD2 3.86Å; I51-F55 HydrophobicContact CG2-CE2 3.51Å; I51-F55 HydrophobicContact CG2-CZ 4.02Å; I51-F55 PolarHBondContact O-N 3.13Å
52E97.2Very high96.8Very high118 Ų11876.4 Ų76.455%0.55141%0.409SS*.Hα-helixtrans-63-39.1178.9-72.4-177.217300112.3D48 F54 F55 G56 Y89D48-E52 WeakPolarHBondContact O-CB 3.45Å; D48-E52 WeakPolarHBondContact O-CG 3.47Å; D48-E52 PolarHBondContact O-N 3.24Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.3Å; E52-F55 PolarHBondContact O-N 3.13Å; E52-G56 PolarHBondContact O-N 3Å; E52-Y89 HydrophobicContact CG-CE1 4.36Å
53Y96.5Very high96.8Very high62 Ų6277.6 Ų77.624%0.24342%0.418CS..Hα-helixtrans-60-41.2173.6178.7-88.7000111.5R28 E29 I32 V49 I51 K57R28-Y53 VanDerWaalsContact CD-CG 3.5Å; R28-Y53 HydrophobicContact CG-CD1 3.99Å; R28-Y53 HydrophobicContact CG-CE1 4.47Å; R28-Y53 HydrophobicContact CG-CG 4.38Å; E29-Y53 HydrophobicContact CG-CE1 4.26Å; E29-Y53 PolarHBondContact OE1-OH 3.33Å; E29-Y53 VanDerWaalsContact OE1-OH 3.14Å; I32-Y53 HydrophobicContact CD1-CD1 3.53Å; I32-Y53 HydrophobicContact CD1-CE1 3.83Å; V49-Y53 WeakPolarHBondContact O-CB 3.37Å; V49-Y53 PolarHBondContact O-N 2.8Å; I51-Y53 VanDerWaalsContact C-N 3.35Å; I51-Y53 PolarHBondContact O-N 3.18Å; Y53-K57 HydrophobicContact CD1-CG 4.45Å; Y53-K57 HydrophobicContact CE1-CG 4.12Å; Y53-K57 WeakPolarHBondContact O-CG 3.38Å; Y53-K57 PolarHBondContact O-N 3.37Å; Y53-K57 VanDerWaalsContact O-N 3.11Å; Y53-K57 WeakPolarHBondContact OH-CE 3.07Å; Y53-K57 PolarHBondContact OH-NZ 2.83Å
54F97.5Very high97Very high26 Ų2672.5 Ų72.511%0.11439%0.391CS..Hα-helixtrans-66.8-45.6176179.7-135000111.8I32 L35 L36 W46 T50 I51 E52 G56 K57 L58I32-F54 HydrophobicContact CB-CD2 4.48Å; I32-F54 HydrophobicContact CD1-CB 3.78Å; I32-F54 HydrophobicContact CD1-CD2 4.16Å; I32-F54 HydrophobicContact CD1-CG 4.3Å; I32-F54 HydrophobicContact CG1-CB 4.06Å; I32-F54 HydrophobicContact CG1-CD2 4.17Å; I32-F54 HydrophobicContact CG1-CG 4.23Å; I32-F54 HydrophobicContact CG2-CD2 3.51Å; I32-F54 HydrophobicContact CG2-CE2 3.7Å; I32-F54 HydrophobicContact CG2-CG 4.33Å; L35-F54 HydrophobicContact CD2-CD1 4.38Å; L35-F54 HydrophobicContact CD2-CE1 3.82Å; L35-F54 HydrophobicContact CD2-CZ 4.32Å; L36-F54 HydrophobicContact CD1-CE2 4.42Å; L36-F54 HydrophobicContact CD2-CE2 4.19Å; L36-F54 HydrophobicContact CD2-CZ 3.95Å; L36-F54 HydrophobicContact CG-CE2 4.48Å; W46-F54 HydrophobicContact CZ3-CB 4.14Å; W46-F54 HydrophobicContact CZ3-CD1 4.02Å; W46-F54 HydrophobicContact CZ3-CG 4.23Å; T50-F54 PolarHBondContact O-N 3.2Å; T50-F54 VanDerWaalsContact O-N 3.08Å; I51-F54 WeakPolarHBondContact O-CB 3.49Å; I51-F54 PolarHBondContact O-N 2.93Å; I51-F54 VanDerWaalsContact O-N 3.12Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.3Å; F54-G56 VanDerWaalsContact C-N 3.32Å; F54-G56 PolarHBondContact O-N 2.89Å; F54-K57 WeakPolarHBondContact O-CB 3.37Å; F54-K57 PolarHBondContact O-N 3.36Å; F54-K57 VanDerWaalsContact O-N 3.14Å; F54-L58 HydrophobicContact CD1-CD1 4.31Å; F54-L58 HydrophobicContact CD2-CD1 4.46Å; F54-L58 HydrophobicContact CD2-CG 4.21Å; F54-L58 HydrophobicContact CE1-CD1 3.81Å; F54-L58 HydrophobicContact CE2-CD1 3.97Å; F54-L58 HydrophobicContact CE2-CD2 3.9Å; F54-L58 HydrophobicContact CE2-CG 3.8Å; F54-L58 HydrophobicContact CZ-CD1 3.63Å; F54-L58 HydrophobicContact CZ-CD2 4.09Å; F54-L58 HydrophobicContact CZ-CG 3.98Å; F54-L58 PolarHBondContact O-N 2.99Å
55F97.9Very high97Very high72 Ų7267.5 Ų67.532%0.31637%0.369SS..Hα-helixtrans-61.7-38.5175.6-70.5-26.6000112.6I51 E52 K57 L58 S59 Y89I51-F55 HydrophobicContact CG2-CD2 3.86Å; I51-F55 HydrophobicContact CG2-CE2 3.51Å; I51-F55 HydrophobicContact CG2-CZ 4.02Å; I51-F55 PolarHBondContact O-N 3.13Å; E52-F55 PolarHBondContact O-N 3.13Å; F55-K57 VanDerWaalsContact C-N 3.33Å; F55-K57 PolarHBondContact O-N 3.1Å; F55-L58 HydrophobicContact CD1-CD1 4.36Å; F55-L58 PolarHBondContact O-N 3.14Å; F55-S59 VanDerWaalsContact O-CB 3.24Å; F55-S59 WeakPolarHBondContact O-CB 3.03Å; F55-S59 PolarHBondContact O-N 2.72Å; F55-Y89 HydrophobicContact CB-CD1 3.86Å; F55-Y89 HydrophobicContact CB-CE1 4.49Å; F55-Y89 HydrophobicContact CB-CG 3.98Å; F55-Y89 AromaticContact CD2-CD1 3.63Å; F55-Y89 HydrophobicContact CD2-CD1 3.63Å; F55-Y89 HydrophobicContact CD2-CD2 4Å; F55-Y89 AromaticContact CD2-CE1 3.44Å; F55-Y89 HydrophobicContact CD2-CE1 3.44Å; F55-Y89 VanDerWaalsContact CD2-CE1 3.44Å; F55-Y89 AromaticContact CD2-CE2 3.82Å; F55-Y89 HydrophobicContact CD2-CE2 3.82Å; F55-Y89 AromaticContact CD2-CG 3.91Å; F55-Y89 HydrophobicContact CD2-CG 3.91Å; F55-Y89 AromaticContact CD2-CZ 3.52Å; F55-Y89 HydrophobicContact CE2-CD2 4.41Å; F55-Y89 HydrophobicContact CE2-CE1 4.07Å; F55-Y89 AromaticContact CE2-CE2 3.88Å; F55-Y89 HydrophobicContact CE2-CE2 3.88Å; F55-Y89 AromaticContact CE2-CZ 3.68Å; F55-Y89 HydrophobicContact CG-CD1 4.17Å; F55-Y89 HydrophobicContact CG-CD2 4.49Å; F55-Y89 HydrophobicContact CG-CE1 4.41Å; F55-Y89 HydrophobicContact CG-CG 4.22Å
56G96.9Very high97.1Very high38 Ų3868.1 Ų68.139%0.39236%0.362SS..Hα-helixtrans-60.6-40.7173.200000112.5E52 F54 A60E52-G56 PolarHBondContact O-N 3Å; F54-G56 VanDerWaalsContact C-N 3.32Å; F54-G56 PolarHBondContact O-N 2.89Å; G56-A60 WeakPolarHBondContact O-CB 3.3Å; G56-A60 PolarHBondContact O-N 3.25Å
57K96.2Very high97Very high109 Ų10973.5 Ų73.547%0.47440%0.399SS..Hα-helixtrans-63.8-44.2174.1-69.5-75.3-172171.10111.8Y53 F54 F55 M61Y53-K57 HydrophobicContact CD1-CG 4.45Å; Y53-K57 HydrophobicContact CE1-CG 4.12Å; Y53-K57 WeakPolarHBondContact O-CG 3.38Å; Y53-K57 PolarHBondContact O-N 3.37Å; Y53-K57 VanDerWaalsContact O-N 3.11Å; Y53-K57 WeakPolarHBondContact OH-CE 3.07Å; Y53-K57 PolarHBondContact OH-NZ 2.83Å; F54-K57 WeakPolarHBondContact O-CB 3.37Å; F54-K57 PolarHBondContact O-N 3.36Å; F54-K57 VanDerWaalsContact O-N 3.14Å; F55-K57 VanDerWaalsContact C-N 3.33Å; F55-K57 PolarHBondContact O-N 3.1Å; K57-M61 WeakPolarHBondContact O-CG 3.42Å
58L97.6Very high96.8Very high72 Ų7273.1 Ų73.138%0.37741%0.414SS..Hα-helixtrans-65.2-47.6178.1-69.1179.2000111.7F54 F55 A60 M61F54-L58 HydrophobicContact CD1-CD1 4.31Å; F54-L58 HydrophobicContact CD2-CD1 4.46Å; F54-L58 HydrophobicContact CD2-CG 4.21Å; F54-L58 HydrophobicContact CE1-CD1 3.81Å; F54-L58 HydrophobicContact CE2-CD1 3.97Å; F54-L58 HydrophobicContact CE2-CD2 3.9Å; F54-L58 HydrophobicContact CE2-CG 3.8Å; F54-L58 HydrophobicContact CZ-CD1 3.63Å; F54-L58 HydrophobicContact CZ-CD2 4.09Å; F54-L58 HydrophobicContact CZ-CG 3.98Å; F54-L58 PolarHBondContact O-N 2.99Å; F55-L58 HydrophobicContact CD1-CD1 4.36Å; F55-L58 PolarHBondContact O-N 3.14Å; L58-A60 VanDerWaalsContact C-N 3.26Å; L58-A60 PolarHBondContact O-N 3.49Å; L58-M61 HydrophobicContact CD2-SD 4.44Å; L58-M61 VanDerWaalsContact O-CB 3.3Å; L58-M61 WeakPolarHBondContact O-CB 3.32Å; L58-M61 PolarHBondContact O-N 3Å
59S97.9Very high96.7Very high16 Ų1670.9 Ų70.911%0.11240%0.402CS..Hα-helixtrans-58.9-37.8179-176.90000112F55 M61 D62 N65 Y89F55-S59 VanDerWaalsContact O-CB 3.24Å; F55-S59 WeakPolarHBondContact O-CB 3.03Å; F55-S59 PolarHBondContact O-N 2.72Å; S59-M61 PolarHBondContact O-N 2.89Å; S59-D62 PolarHBondContact O-N 3.39Å; S59-N65 WeakPolarHBondContact O-CB 3.34Å; S59-N65 PolarHBondContact O-ND2 2.84Å; S59-N65 PolarHBondContact OG-ND2 3.21Å; S59-Y89 WeakPolarHBondContact CB-O 3.2Å; S59-Y89 PolarHBondContact OG-O 3.34Å
60A96.5Very high96.6Very high61 Ų6174.9 Ų74.950%0.50442%0.417SS..THydrogen-bonded Turntrans-66.6-14.6175.300000114.2G56 L58 F66G56-A60 WeakPolarHBondContact O-CB 3.3Å; G56-A60 PolarHBondContact O-N 3.25Å; L58-A60 VanDerWaalsContact C-N 3.26Å; L58-A60 PolarHBondContact O-N 3.49Å; A60-F66 WeakPolarHBondContact O-CE1 3.38Å
61M97.2Very high96.4Very high135 Ų13575.9 Ų75.967%0.66543%0.428SS*.THydrogen-bonded Turntrans-85.8-11.2176.5-62.117264.900112.9K57 L58 S59 F66K57-M61 WeakPolarHBondContact O-CG 3.42Å; L58-M61 HydrophobicContact CD2-SD 4.44Å; L58-M61 VanDerWaalsContact O-CB 3.3Å; L58-M61 WeakPolarHBondContact O-CB 3.32Å; L58-M61 PolarHBondContact O-N 3Å; S59-M61 PolarHBondContact O-N 2.89Å; M61-F66 VanDerWaalsContact O-CE1 3.31Å; M61-F66 WeakPolarHBondContact O-CE1 2.8Å; M61-F66 WeakPolarHBondContact O-CZ 3.5Å
62D97.7Very high96.4Very high86 Ų8680 Ų8046%0.4646%0.455SS..SBendtrans-81135.5177.9-70.2-15.3000111.4S59 N64 N65 F66S59-D62 PolarHBondContact O-N 3.39Å; D62-N64 VanDerWaalsContact C-N 3.28Å; D62-N64 PolarHBondContact O-N 3.1Å; D62-N65 WeakPolarHBondContact O-CA 3.35Å; D62-N65 WeakPolarHBondContact O-CB 3.24Å; D62-N65 PolarHBondContact O-N 2.75Å; D62-F66 WeakPolarHBondContact O-CD1 3.3Å; D62-F66 PolarHBondContact O-N 3.15Å
63S97Very high96.4Very high64 Ų6475.7 Ų75.745%0.44844%0.442SS..G310 helixtrans-61.5-33.2-17560.30000113.4N65 F66 N69S63-N65 PolarHBondContact O-N 3.23Å; S63-N65 VanDerWaalsContact O-N 3.1Å; S63-F66 PolarHBondContact O-N 3.23Å; S63-N69 PolarHBondContact O-ND2 3.48Å
64N96.8Very high96.5Very high48 Ų4881.3 Ų81.326%0.25747%0.471SS..G310 helixtrans-64-12.7174.655.3-83.3000113.4D62 E76 R90D62-N64 VanDerWaalsContact C-N 3.28Å; D62-N64 PolarHBondContact O-N 3.1Å; N64-E76 WeakPolarHBondContact CB-O 3.4Å; N64-R90 PolarHBondContact O-NH2 2.89Å
65N96.7Very high96.5Very high32 Ų3290.7 Ų90.717%0.17151%0.506CS..G310 helixtrans-109.6-4.3179.7-63.1-21.1000113.5S59 D62 S63 V67 R90S59-N65 WeakPolarHBondContact O-CB 3.34Å; S59-N65 PolarHBondContact O-ND2 2.84Å; S59-N65 PolarHBondContact OG-ND2 3.21Å; D62-N65 WeakPolarHBondContact O-CA 3.35Å; D62-N65 WeakPolarHBondContact O-CB 3.24Å; D62-N65 PolarHBondContact O-N 2.75Å; S63-N65 PolarHBondContact O-N 3.23Å; S63-N65 VanDerWaalsContact O-N 3.1Å; N65-V67 PolarHBondContact O-N 3.2Å; N65-R90 WeakPolarHBondContact OD1-CD 3.49Å; N65-R90 WeakPolarHBondContact OD1-CG 3.16Å; N65-R90 PolarHBondContact OD1-NE 2.8Å
66F97.3Very high96.4Very high107 Ų10789.6 Ų89.647%0.46950%0.501SS..SBendtrans-63.7132.1176.7-67.6-8.7000111.5A60 M61 D62 S63 G68 N69A60-F66 WeakPolarHBondContact O-CE1 3.38Å; M61-F66 VanDerWaalsContact O-CE1 3.31Å; M61-F66 WeakPolarHBondContact O-CE1 2.8Å; M61-F66 WeakPolarHBondContact O-CZ 3.5Å; D62-F66 WeakPolarHBondContact O-CD1 3.3Å; D62-F66 PolarHBondContact O-N 3.15Å; S63-F66 PolarHBondContact O-N 3.23Å; F66-G68 PolarHBondContact O-N 3.41Å; F66-N69 HydrophobicContact CB-CB 4.08Å; F66-N69 WeakPolarHBondContact O-CB 3.24Å; F66-N69 PolarHBondContact O-N 3.4Å
67V95.3Very high96.4Very high153 Ų15389.4 Ų89.493%0.92750%0.5SS*.THydrogen-bonded Turntrans-64.4122.8172.4-1790000108.4N65N65-V67 PolarHBondContact O-N 3.2Å
68G93.4Very high96.4Very high72 Ų7292.3 Ų92.374%0.74251%0.508SS*.THydrogen-bonded Turntrans81.214.5-17900000115F66F66-G68 PolarHBondContact O-N 3.41Å
69N94.3Very high96.4Very high74 Ų7491.8 Ų91.840%0.39651%0.507SS..  trans-64138.6172.5-16925.1000111.7S63 F66S63-N69 PolarHBondContact O-ND2 3.48Å; F66-N69 HydrophobicContact CB-CB 4.08Å; F66-N69 WeakPolarHBondContact O-CB 3.24Å; F66-N69 PolarHBondContact O-N 3.4Å
70M94Very high96.4Very high168 Ų168102.3 Ų102.383%0.82855%0.546SS*.  trans-116.7100.6171.7-70.6-170.9-72.300109.3
71G94.1Very high96.5Very high24 Ų24101.4 Ų101.425%0.24754%0.536CS..  trans-87.4123.5177.700000112.4E76 R78G71-E76 WeakPolarHBondContact CA-OE2 3.43Å; G71-R78 PolarHBondContact O-NH2 3.41Å
72V96.6Very high96.6Very high143 Ų143100.8 Ų100.887%0.86754%0.536SS*.  trans-118.7-1.4178.8-64.60000113.6E76V72-E76 PolarHBondContact N-OE1 2.86Å
73G97Very high96.6Very high27 Ų27102.9 Ų102.928%0.27855%0.546SS..SBendtrans-84.9176.5176.400000113.9E76G73-E76 WeakPolarHBondContact CA-OE1 3.45Å; G73-E76 PolarHBondContact N-OE1 3.27Å; G73-E76 WeakPolarHBondContact O-CG 3.47Å
74E97.7Very high96.7Very high181 Ų181102.6 Ų102.685%0.84654%0.542SS*.SBendtrans-77.1-27.5179.179.5-67164.300112.7
75R97.6Very high96.7Very high223 Ų223100.9 Ų100.984%0.84253%0.534SS*.  trans-125.577.8-176.5-167.8177.6-179.5168.50112.6
76E97.5Very high96.7Very high48 Ų48105.5 Ų105.522%0.22456%0.555CS.*  trans-96.79.2-175.7-66.2-64.7159.300114.4N64 G71 V72 G73 R78N64-E76 WeakPolarHBondContact CB-O 3.4Å; G71-E76 WeakPolarHBondContact CA-OE2 3.43Å; V72-E76 PolarHBondContact N-OE1 2.86Å; G73-E76 WeakPolarHBondContact CA-OE1 3.45Å; G73-E76 PolarHBondContact N-OE1 3.27Å; G73-E76 WeakPolarHBondContact O-CG 3.47Å; E76-R78 HydrophobicContact CB-CG 3.95Å; E76-R78 PolarHBondContact O-N 3.21Å
77G96.7Very high96.7Very high35 Ų35108.2 Ų108.236%0.36156%0.562SS.*  trans62.227-177.900000113.9V79G77-V79 PolarHBondContact O-N 3.46Å
78R96.5Very high96.9Very high169 Ų169106.2 Ų106.264%0.63854%0.542SS*.  trans-67.5126.2177.8-60.1179.1-172118.1-4109.5G71 E76G71-R78 PolarHBondContact O-NH2 3.41Å; E76-R78 HydrophobicContact CB-CG 3.95Å; E76-R78 PolarHBondContact O-N 3.21Å
79V97.5Very high97Very high62 Ų62108.5 Ų108.538%0.37653%0.529SS..  trans-113124.6179.3-176.70000108.8G77 S81 V84 A85G77-V79 PolarHBondContact O-N 3.46Å; V79-S81 WeakPolarHBondContact CG1-O 3.34Å; V79-V84 HydrophobicContact CG1-CB 4.06Å; V79-V84 HydrophobicContact CG1-CG1 4.08Å; V79-A85 HydrophobicContact CB-CB 4.48Å; V79-A85 HydrophobicContact CG1-CB 4.07Å
80Y98Very high96.8Very high236 Ų236111.7 Ų111.793%0.92554%0.536SS*.SBendtrans-76.3-44-179-179.8-97.3000112.9
81S98.2Very high96.9Very high42 Ų42108.9 Ų108.929%0.29452%0.521SS..  trans-97.1124.7-174.9175.10000111.5V79 L83 V84 A85V79-S81 WeakPolarHBondContact CG1-O 3.34Å; S81-L83 PolarHBondContact O-N 3.11Å; S81-L83 PolarHBondContact OG-N 3.32Å; S81-V84 WeakPolarHBondContact O-CB 3.42Å; S81-V84 PolarHBondContact O-N 3.41Å; S81-A85 PolarHBondContact O-N 3.4Å
82N97.7Very high97.1Very high123 Ų123113.3 Ų113.366%0.65854%0.536SS*.Hα-helixtrans-60.8-32.4173.8-69.6-16.3000112.2V84 A85 Q86N82-V84 VanDerWaalsContact C-N 3.27Å; N82-V84 PolarHBondContact O-N 2.99Å; N82-A85 PolarHBondContact O-N 2.69Å; N82-Q86 WeakPolarHBondContact O-CB 3.31Å; N82-Q86 VanDerWaalsContact O-CG 3.32Å; N82-Q86 WeakPolarHBondContact O-CG 3.4Å; N82-Q86 PolarHBondContact O-N 2.9Å
83L98.4Very high97.1Very high129 Ų129111.7 Ų111.768%0.67552%0.517SS*.Hα-helixtrans-64.3-35175.1-61.4176.5000111.7S81 R87S81-L83 PolarHBondContact O-N 3.11Å; S81-L83 PolarHBondContact OG-N 3.32Å; L83-R87 WeakPolarHBondContact O-CB 3.46Å; L83-R87 WeakPolarHBondContact O-CG 3.46Å; L83-R87 PolarHBondContact O-N 3.1Å
84V98.6Very high97.1Very high58 Ų58116.6 Ų116.635%0.35253%0.531SS..Hα-helixtrans-74.2-38.5175.7178.10000110.9V79 S81 N82 R87 H88V79-V84 HydrophobicContact CG1-CB 4.06Å; V79-V84 HydrophobicContact CG1-CG1 4.08Å; S81-V84 WeakPolarHBondContact O-CB 3.42Å; S81-V84 PolarHBondContact O-N 3.41Å; N82-V84 VanDerWaalsContact C-N 3.27Å; N82-V84 PolarHBondContact O-N 2.99Å; V84-R87 WeakPolarHBondContact O-CG 3.46Å; V84-H88 PolarHBondContact O-CD2 3.16Å
85A97.9Very high97.1Very high13 Ų13112.6 Ų112.611%0.10751%0.512CS..Hα-helixtrans-61.6-52.8175.500000111.4V79 S81 N82 R87 H88 Y89 R90V79-A85 HydrophobicContact CB-CB 4.48Å; V79-A85 HydrophobicContact CG1-CB 4.07Å; S81-A85 PolarHBondContact O-N 3.4Å; N82-A85 PolarHBondContact O-N 2.69Å; A85-R87 PolarHBondContact O-N 3.48Å; A85-H88 CarbonylContact O-C 3.44Å; A85-H88 PolarHBondContact O-N 2.89Å; A85-H88 VanDerWaalsContact O-N 3.09Å; A85-Y89 PolarHBondContact O-N 3.34Å; A85-R90 HydrophobicContact CB-CB 4.1Å; A85-R90 HydrophobicContact CB-CG 4.35Å; A85-R90 PolarHBondContact O-N 3.37Å; A85-R90 VanDerWaalsContact O-N 3.11Å
86Q97.4Very high97.1Very high128 Ų128105.3 Ų105.360%0.59849%0.49SS*.Hα-helixtrans-64.4-42.6-174.5-73175.1-1800113.1N82 H88 Y89N82-Q86 WeakPolarHBondContact O-CB 3.31Å; N82-Q86 VanDerWaalsContact O-CG 3.32Å; N82-Q86 WeakPolarHBondContact O-CG 3.4Å; N82-Q86 PolarHBondContact O-N 2.9Å; Q86-H88 PolarHBondContact O-N 3.13Å; Q86-Y89 PolarHBondContact O-N 2.74Å
87R97.4Very high97Very high164 Ų164109.4 Ų109.462%0.61951%0.509SS*.THydrogen-bonded Turntrans-65.7-11.7178.278.4-175.2-173.389.4-4.6113.7L83 V84 A85L83-R87 WeakPolarHBondContact O-CB 3.46Å; L83-R87 WeakPolarHBondContact O-CG 3.46Å; L83-R87 PolarHBondContact O-N 3.1Å; V84-R87 WeakPolarHBondContact O-CG 3.46Å; A85-R87 PolarHBondContact O-N 3.48Å
88H97.7Very high97.1Very high112 Ų112115.1 Ų115.152%0.51952%0.52SS..THydrogen-bonded Turntrans-113.824.6176.3-68.8-62.4000112V84 A85 Q86 R90V84-H88 PolarHBondContact O-CD2 3.16Å; A85-H88 CarbonylContact O-C 3.44Å; A85-H88 PolarHBondContact O-N 2.89Å; A85-H88 VanDerWaalsContact O-N 3.09Å; Q86-H88 PolarHBondContact O-N 3.13Å; H88-R90 VanDerWaalsContact C-N 3.32Å; H88-R90 PolarHBondContact O-N 3.45Å
89Y96.6Very high97.1Very high119 Ų119110.6 Ų110.647%0.46751%0.51SS..THydrogen-bonded Turntrans61.830.2173.5-56.7-82.1000115.4E52 F55 S59 A85 Q86E52-Y89 HydrophobicContact CG-CE1 4.36Å; F55-Y89 HydrophobicContact CB-CD1 3.86Å; F55-Y89 HydrophobicContact CB-CE1 4.49Å; F55-Y89 HydrophobicContact CB-CG 3.98Å; F55-Y89 AromaticContact CD2-CD1 3.63Å; F55-Y89 HydrophobicContact CD2-CD1 3.63Å; F55-Y89 HydrophobicContact CD2-CD2 4Å; F55-Y89 AromaticContact CD2-CE1 3.44Å; F55-Y89 HydrophobicContact CD2-CE1 3.44Å; F55-Y89 VanDerWaalsContact CD2-CE1 3.44Å; F55-Y89 AromaticContact CD2-CE2 3.82Å; F55-Y89 HydrophobicContact CD2-CE2 3.82Å; F55-Y89 AromaticContact CD2-CG 3.91Å; F55-Y89 HydrophobicContact CD2-CG 3.91Å; F55-Y89 AromaticContact CD2-CZ 3.52Å; F55-Y89 HydrophobicContact CE2-CD2 4.41Å; F55-Y89 HydrophobicContact CE2-CE1 4.07Å; F55-Y89 AromaticContact CE2-CE2 3.88Å; F55-Y89 HydrophobicContact CE2-CE2 3.88Å; F55-Y89 AromaticContact CE2-CZ 3.68Å; F55-Y89 HydrophobicContact CG-CD1 4.17Å; F55-Y89 HydrophobicContact CG-CD2 4.49Å; F55-Y89 HydrophobicContact CG-CE1 4.41Å; F55-Y89 HydrophobicContact CG-CG 4.22Å; S59-Y89 WeakPolarHBondContact CB-O 3.2Å; S59-Y89 PolarHBondContact OG-O 3.34Å; A85-Y89 PolarHBondContact O-N 3.34Å; Q86-Y89 PolarHBondContact O-N 2.74Å
90R90Very high97.1Very high141 Ų141115 Ų11553%0.53252%0.522SS..  trans-93.10163.2179.4-179.7-179.3163.714.4111.5N64 N65 A85 H88N64-R90 PolarHBondContact O-NH2 2.89Å; N65-R90 WeakPolarHBondContact OD1-CD 3.49Å; N65-R90 WeakPolarHBondContact OD1-CG 3.16Å; N65-R90 PolarHBondContact OD1-NE 2.8Å; A85-R90 HydrophobicContact CB-CB 4.1Å; A85-R90 HydrophobicContact CB-CG 4.35Å; A85-R90 PolarHBondContact O-N 3.37Å; A85-R90 VanDerWaalsContact O-N 3.11Å; H88-R90 VanDerWaalsContact C-N 3.32Å; H88-R90 PolarHBondContact O-N 3.45Å

Retrieved 90 of 90 residues in 101.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).