A0A087YE55_POEFO Loading...

Centrosomal protein of 19 kDa

AlphaFold DB , UniProt , Accession A0A087YE55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 158 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
1M59.6Low85.1Confident166 Ų16670.3 Ų70.382%0.81836%0.362SS*.  0102.50-171.8175.4-8200106.7
2G73.8Confident85.4Confident32 Ų3268.3 Ų68.333%0.3335%0.349SS..  trans-76.2127.2-177.800000110.2T24G2-T24 VanDerWaalsContact C-CG2 3.49Å; G2-T24 VanDerWaalsContact CA-OG1 3.28Å; G2-T24 WeakPolarHBondContact CA-OG1 3.48Å; G2-T24 PolarHBondContact O-N 3.13Å; G2-T24 VanDerWaalsContact O-N 3.17Å; G2-T24 PolarHBondContact O-OG1 3.34Å
3C81.3Confident85.5Confident9 Ų973.5 Ų73.56%0.06138%0.378CS..EExtended strand (participates in β ladder)trans-140.9132.1172.641.40000109.2Y21 I22 G60 Y61 Q64C3-Y21 HydrophobicContact CB-CD2 3.61Å; C3-Y21 HydrophobicContact CB-CE2 4.09Å; C3-Y21 HydrophobicContact CB-CG 4.41Å; C3-I22 WeakPolarHBondContact CA-O 3.35Å; C3-G60 PolarHBondContact SG-O 2.9Å; C3-Y61 HydrophobicContact CB-CD1 4.07Å; C3-Y61 VanDerWaalsContact SG-CD1 3.53Å; C3-Q64 PolarHBondContact O-NE2 3.02Å
4E86.3Confident85.7Confident78 Ų7874.5 Ų74.536%0.36439%0.392SS..EExtended strand (participates in β ladder)trans-102.6113.7-179-164.9-165.8163.500109.4K6 Y21 I22 Q64E4-K6 VanDerWaalsContact CD-NZ 3.3Å; E4-K6 PolarHBondContact O-N 3.47Å; E4-K6 WeakPolarHBondContact OE1-CE 3.43Å; E4-K6 IonicContact OE1-NZ 2.73Å; E4-K6 PolarHBondContact OE1-NZ 3.17Å; E4-K6 IonicContact OE2-NZ 2.56Å; E4-K6 PolarHBondContact OE2-NZ 3.15Å; E4-Y21 CarbonylContact O-C 3.55Å; E4-Y21 WeakPolarHBondContact O-CA 3.42Å; E4-Y21 VanDerWaalsContact O-CB 3.27Å; E4-Y21 WeakPolarHBondContact O-CB 3.21Å; E4-I22 HydrophobicContact CB-CB 4.42Å; E4-I22 PolarHBondContact N-O 3.08Å; E4-I22 PolarHBondContact O-N 3.2Å; E4-Q64 VanDerWaalsContact CA-OE1 3.26Å
5A87.4Confident86Confident25 Ų2572.3 Ų72.321%0.20738%0.384CS..EExtended strand (participates in β ladder)trans-74.3123.7-179.600000109.8L19 Q64 V65A5-L19 HydrophobicContact CB-CD1 4.07Å; A5-Q64 HydrophobicContact CB-CB 4.18Å; A5-V65 HydrophobicContact CB-CG2 3.72Å
6K88.1Confident86.4Confident111 Ų11168 Ų6848%0.48336%0.361SS..EExtended strand (participates in β ladder)trans-104.1-48.9179.2-70.6-61.1-169.7-1690112.6E4 V20 I22E4-K6 VanDerWaalsContact CD-NZ 3.3Å; E4-K6 PolarHBondContact O-N 3.47Å; E4-K6 WeakPolarHBondContact OE1-CE 3.43Å; E4-K6 IonicContact OE1-NZ 2.73Å; E4-K6 PolarHBondContact OE1-NZ 3.17Å; E4-K6 IonicContact OE2-NZ 2.56Å; E4-K6 PolarHBondContact OE2-NZ 3.15Å; K6-V20 PolarHBondContact N-O 3.34Å; K6-I22 HydrophobicContact CD-CD1 4.27Å; K6-I22 HydrophobicContact CG-CD1 4Å; K6-I22 HydrophobicContact CG-CG1 3.86Å
7R90.2Very high86.8Confident197 Ų19764.1 Ų64.174%0.74334%0.34SS*.EExtended strand (participates in β ladder)trans-141.7146.7-177.6-59.7-176.8-175.5174.20.6110.4V20R7-V20 HydrophobicContact CB-CB 4.26Å; R7-V20 PolarHBondContact N-O 3.08Å; R7-V20 VanDerWaalsContact N-O 3.12Å; R7-V20 PolarHBondContact O-N 3.45Å
8C91.4Very high87.2Confident33 Ų3361.7 Ų61.722%0.22333%0.328CS..EExtended strand (participates in β ladder)trans-125.6153.2170.764.20000110.2V18 Q69 L73C8-V18 CarbonylContact C-O 3.5Å; C8-V18 VanDerWaalsContact CA-O 3.26Å; C8-V18 WeakPolarHBondContact CA-O 3.29Å; C8-Q69 VanDerWaalsContact SG-CG 3.54Å; C8-Q69 PolarHBondContact SG-NE2 3.34Å; C8-L73 HydrophobicContact CB-CD1 3.89Å
9G91.8Very high87.5Confident24 Ų2458.5 Ų58.525%0.24731%0.312CS..EExtended strand (participates in β ladder)trans-158.5-179.4176.100000111.4I17 V18G9-I17 WeakPolarHBondContact O-CA 3.4Å; G9-V18 PolarHBondContact N-O 3.24Å; G9-V18 PolarHBondContact O-N 3.31Å
10V93.1Very high87.8Confident35 Ų3557.7 Ų57.721%0.21231%0.309CS..EExtended strand (participates in β ladder)trans-119.9146.8178.3-68.10000110.4F12 S16 I17 L73 I76 L77V10-F12 HydrophobicContact CG2-CE1 3.97Å; V10-F12 HydrophobicContact CG2-CE2 4.33Å; V10-F12 HydrophobicContact CG2-CZ 3.73Å; V10-S16 CarbonylContact C-O 3.56Å; V10-S16 WeakPolarHBondContact CA-O 3.21Å; V10-I17 HydrophobicContact CG1-CG1 4.36Å; V10-L73 HydrophobicContact CG1-CB 3.66Å; V10-L73 HydrophobicContact CG1-CD2 3.82Å; V10-L73 HydrophobicContact CG1-CG 4.22Å; V10-I76 HydrophobicContact CG2-CG2 3.91Å; V10-L77 HydrophobicContact CB-CD1 4.45Å; V10-L77 HydrophobicContact CB-CD2 3.96Å; V10-L77 HydrophobicContact CB-CG 4.02Å; V10-L77 HydrophobicContact CG1-CD1 3.88Å; V10-L77 HydrophobicContact CG1-CD2 4.24Å; V10-L77 HydrophobicContact CG1-CG 3.74Å
11Q92.6Very high88Confident63 Ų6355.7 Ų55.729%0.29430%0.297SS..EExtended strand (participates in β ladder)trans-118.6128.5167174.3175.7-7.100106.8N13 P15 S16 V18Q11-N13 PolarHBondContact NE2-O 3.19Å; Q11-P15 CarbonylContact O-C 3.58Å; Q11-P15 VanDerWaalsContact O-CA 3.28Å; Q11-P15 WeakPolarHBondContact O-CA 3.38Å; Q11-S16 PolarHBondContact N-O 2.94Å; Q11-S16 PolarHBondContact O-N 3.24Å; Q11-V18 HydrophobicContact CB-CG2 4.23Å
12F89.1Confident89.5Confident47 Ų4749.6 Ų49.621%0.20627%0.267CS..THydrogen-bonded Turntrans-83.9-35.5-173-61.8-68.2000113.6V10 P14 P15 I76 L77 H80 L86V10-F12 HydrophobicContact CG2-CE1 3.97Å; V10-F12 HydrophobicContact CG2-CE2 4.33Å; V10-F12 HydrophobicContact CG2-CZ 3.73Å; F12-P14 CarbonylContact O-C 3.59Å; F12-P15 WeakPolarHBondContact O-CA 3.28Å; F12-P15 WeakPolarHBondContact O-CD 3.46Å; F12-P15 VanDerWaalsContact O-N 3.14Å; F12-I76 HydrophobicContact CE1-CG2 3.98Å; F12-I76 HydrophobicContact CZ-CG2 3.86Å; F12-L77 HydrophobicContact CD1-CD2 3.8Å; F12-L77 HydrophobicContact CE1-CD2 4.14Å; F12-H80 VanDerWaalsContact CB-CE1 3.49Å; F12-H80 WeakPolarHBondContact CB-CE1 3.45Å; F12-H80 HydrophobicContact CD1-CB 3.42Å; F12-H80 VanDerWaalsContact CD1-CB 3.42Å; F12-H80 AromaticContact CD1-CD2 3.45Å; F12-H80 VanDerWaalsContact CD1-CD2 3.45Å; F12-H80 WeakPolarHBondContact CD1-CD2 3.35Å; F12-H80 AromaticContact CD1-CG 3.16Å; F12-H80 AromaticContact CD1-ND1 3.56Å; F12-H80 AromaticContact CD1-NE2 3.98Å; F12-H80 AromaticContact CD2-CD2 3.79Å; F12-H80 AromaticContact CD2-NE2 3.94Å; F12-H80 HydrophobicContact CE1-CB 3.35Å; F12-H80 AromaticContact CE1-CD2 3.77Å; F12-H80 AromaticContact CE1-CG 3.56Å; F12-H80 HydrophobicContact CG-CB 4.33Å; F12-H80 AromaticContact CG-CD2 3.47Å; F12-H80 VanDerWaalsContact CG-CD2 3.47Å; F12-H80 WeakPolarHBondContact CG-CD2 3.26Å; F12-H80 AromaticContact CG-CE1 3.81Å; F12-H80 AromaticContact CG-CG 3.62Å; F12-H80 AromaticContact CG-ND1 3.81Å; F12-H80 AromaticContact CG-NE2 3.58Å; F12-H80 HydrophobicContact CZ-CB 4.23Å; F12-L86 HydrophobicContact CZ-CD1 4.25Å
13N86.6Confident90.3Very high135 Ų13549 Ų4972%0.72226%0.256SS*.THydrogen-bonded Turntrans-126.5109.9-178.3-74.9-22.7000111.3Q11Q11-N13 PolarHBondContact NE2-O 3.19Å
14P87.9Confident90.4Very high88 Ų8851.8 Ų51.857%0.57127%0.273SS*.THydrogen-bonded Turncis-69.5154-17.531.3-34.7000111.9F12 S16F12-P14 CarbonylContact O-C 3.59Å; P14-S16 PolarHBondContact O-N 3.07Å; P14-S16 PolarHBondContact O-OG 3.17Å
15P90.8Very high90.4Very high42 Ų4253.9 Ų53.927%0.27329%0.286SS..THydrogen-bonded Turntrans-59.2112.9-17523.4-33.8000111.1Q11 F12 I36 L77Q11-P15 CarbonylContact O-C 3.58Å; Q11-P15 VanDerWaalsContact O-CA 3.28Å; Q11-P15 WeakPolarHBondContact O-CA 3.38Å; F12-P15 WeakPolarHBondContact O-CA 3.28Å; F12-P15 WeakPolarHBondContact O-CD 3.46Å; F12-P15 VanDerWaalsContact O-N 3.14Å; P15-I36 PolarHBondContact O-N 2.92Å; P15-L77 HydrophobicContact CB-CD2 4.32Å
16S93.2Very high90.3Very high3 Ų355.7 Ų55.72%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-148.1146-173.5-51.70000111.5V10 Q11 P14 I34V10-S16 CarbonylContact C-O 3.56Å; V10-S16 WeakPolarHBondContact CA-O 3.21Å; Q11-S16 PolarHBondContact N-O 2.94Å; Q11-S16 PolarHBondContact O-N 3.24Å; P14-S16 PolarHBondContact O-N 3.07Å; P14-S16 PolarHBondContact O-OG 3.17Å; S16-I34 CarbonylContact C-O 3.46Å; S16-I34 VanDerWaalsContact CA-O 3.26Å; S16-I34 WeakPolarHBondContact CA-O 3.46Å; S16-I34 WeakPolarHBondContact CB-O 3.28Å
17I93.3Very high90.3Very high1 Ų158.9 Ų58.91%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-93.3128.2168.4-76.7164.7000109.4G9 V10 I34 I36 L52 L73 L77G9-I17 WeakPolarHBondContact O-CA 3.4Å; V10-I17 HydrophobicContact CG1-CG1 4.36Å; I17-I34 PolarHBondContact N-O 2.97Å; I17-I34 PolarHBondContact O-N 2.96Å; I17-I36 HydrophobicContact CD1-CD1 3.69Å; I17-I36 HydrophobicContact CD1-CG1 4.39Å; I17-I36 HydrophobicContact CG1-CD1 3.71Å; I17-I36 HydrophobicContact CG1-CG1 4.46Å; I17-L52 HydrophobicContact CD1-CD2 3.36Å; I17-L73 HydrophobicContact CD1-CB 4.15Å; I17-L73 HydrophobicContact CD1-CD1 4.3Å; I17-L73 HydrophobicContact CG1-CB 4.29Å; I17-L73 HydrophobicContact CG1-CD1 4.23Å; I17-L73 HydrophobicContact CG2-CD1 4.05Å; I17-L77 HydrophobicContact CG1-CD1 4.4Å
18V93.6Very high90.3Very high21 Ų2156.3 Ų56.313%0.12730%0.303CS..EExtended strand (participates in β ladder)trans-98.5125.3176.8-178.20000108.5C8 G9 Q11 K31 I33C8-V18 CarbonylContact C-O 3.5Å; C8-V18 VanDerWaalsContact CA-O 3.26Å; C8-V18 WeakPolarHBondContact CA-O 3.29Å; G9-V18 PolarHBondContact N-O 3.24Å; G9-V18 PolarHBondContact O-N 3.31Å; Q11-V18 HydrophobicContact CB-CG2 4.23Å; V18-K31 HydrophobicContact CG1-CD 4.2Å; V18-K31 VanDerWaalsContact CG1-CE 3.49Å; V18-K31 HydrophobicContact CG1-CG 3.9Å; V18-I33 HydrophobicContact CG2-CG1 4.47Å
19L92.9Very high90.3Very high2 Ų260.8 Ų60.81%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-116.2124.5174.3-178.969.8000109.7A5 Y21 K31 R32 L62 V65A5-L19 HydrophobicContact CB-CD1 4.07Å; L19-Y21 HydrophobicContact CD2-CD1 4.44Å; L19-Y21 HydrophobicContact CG-CD1 4.48Å; L19-K31 CarbonylContact O-C 3.41Å; L19-K31 WeakPolarHBondContact O-CA 3.5Å; L19-R32 PolarHBondContact N-O 3.09Å; L19-R32 PolarHBondContact O-N 2.93Å; L19-L62 HydrophobicContact CD2-CD2 4.1Å; L19-V65 HydrophobicContact CD1-CG2 4.06Å
20V93.8Very high90.3Very high42 Ų4265.1 Ų65.126%0.25533%0.332SS..EExtended strand (participates in β ladder)trans-104.6120.9170.5-176.90000107.9K6 R7 I29 R30K6-V20 PolarHBondContact N-O 3.34Å; R7-V20 HydrophobicContact CB-CB 4.26Å; R7-V20 PolarHBondContact N-O 3.08Å; R7-V20 VanDerWaalsContact N-O 3.12Å; R7-V20 PolarHBondContact O-N 3.45Å; V20-I29 HydrophobicContact CG1-CG2 3.6Å; V20-R30 WeakPolarHBondContact CA-O 3.43Å
21Y91.9Very high90.2Very high15 Ų1569.9 Ų69.96%0.05935%0.35CS..EExtended strand (participates in β ladder)trans-136.7156.9-174.769.7-82.9000111.5C3 E4 L19 H23 R30 R32 Y61C3-Y21 HydrophobicContact CB-CD2 3.61Å; C3-Y21 HydrophobicContact CB-CE2 4.09Å; C3-Y21 HydrophobicContact CB-CG 4.41Å; E4-Y21 CarbonylContact O-C 3.55Å; E4-Y21 WeakPolarHBondContact O-CA 3.42Å; E4-Y21 VanDerWaalsContact O-CB 3.27Å; E4-Y21 WeakPolarHBondContact O-CB 3.21Å; L19-Y21 HydrophobicContact CD2-CD1 4.44Å; L19-Y21 HydrophobicContact CG-CD1 4.48Å; Y21-H23 HydrophobicContact CE2-CB 4.41Å; Y21-R30 HydrophobicContact CD1-CB 4.3Å; Y21-R30 WeakPolarHBondContact CD1-O 3.44Å; Y21-R30 HydrophobicContact CE1-CB 3.71Å; Y21-R30 HydrophobicContact CE2-CB 4Å; Y21-R30 PolarHBondContact N-O 3.35Å; Y21-R30 PolarHBondContact O-N 3.48Å; Y21-R32 HydrophobicContact CD1-CB 4.5Å; Y21-R32 HydrophobicContact CE1-CB 3.96Å; Y21-Y61 HydrophobicContact CD1-CD1 4.5Å; Y21-Y61 HydrophobicContact CD2-CD1 4.37Å; Y21-Y61 HydrophobicContact CE1-CD1 4.24Å; Y21-Y61 HydrophobicContact CE1-CE1 4.41Å; Y21-Y61 HydrophobicContact CE2-CD1 4.08Å; Y21-Y61 AromaticContact CE2-CE1 3.96Å; Y21-Y61 HydrophobicContact CE2-CE1 3.96Å; Y21-Y61 AromaticContact CZ-CE1 3.81Å
22I91.6Very high90.2Very high39 Ų3970 Ų7020%0.235%0.348CS..EExtended strand (participates in β ladder)trans-98.8127.8170.5-57.6-176000108C3 E4 K6 I29C3-I22 WeakPolarHBondContact CA-O 3.35Å; E4-I22 HydrophobicContact CB-CB 4.42Å; E4-I22 PolarHBondContact N-O 3.08Å; E4-I22 PolarHBondContact O-N 3.2Å; K6-I22 HydrophobicContact CD-CD1 4.27Å; K6-I22 HydrophobicContact CG-CD1 4Å; K6-I22 HydrophobicContact CG-CG1 3.86Å; I22-I29 HydrophobicContact CG1-CG1 4.15Å
23H88.8Confident90.3Very high19 Ų1971.6 Ų71.69%0.08836%0.358CS..EExtended strand (participates in β ladder)trans-79123.1173.4-167.7-69.8000109.1Y21 D25 T26 K27 K28Y21-H23 HydrophobicContact CE2-CB 4.41Å; H23-D25 VanDerWaalsContact C-N 3.27Å; H23-D25 IonicContact CE1-OD2 3.24Å; H23-D25 PolarHBondContact CE1-OD2 3.13Å; H23-D25 VanDerWaalsContact CE1-OD2 3.24Å; H23-D25 PolarHBondContact ND1-N 2.93Å; H23-D25 IonicContact ND1-OD2 2.67Å; H23-D25 PolarHBondContact O-N 2.87Å; H23-T26 WeakPolarHBondContact CB-OG1 3.21Å; H23-T26 PolarHBondContact O-N 3.15Å; H23-K27 VanDerWaalsContact O-CA 3.28Å; H23-K27 WeakPolarHBondContact O-CA 3.48Å; H23-K27 PolarHBondContact O-N 3.05Å; H23-K28 PolarHBondContact N-O 2.8Å; H23-K28 VanDerWaalsContact N-O 3.14Å
24T85.1Confident90.6Very high68 Ų6865.2 Ų65.242%0.41732%0.324SS..THydrogen-bonded Turntrans-58.1-41.4-173.350.90000112.3G2G2-T24 VanDerWaalsContact C-CG2 3.49Å; G2-T24 VanDerWaalsContact CA-OG1 3.28Å; G2-T24 WeakPolarHBondContact CA-OG1 3.48Å; G2-T24 PolarHBondContact O-N 3.13Å; G2-T24 VanDerWaalsContact O-N 3.17Å; G2-T24 PolarHBondContact O-OG1 3.34Å
25D84.9Confident90.8Very high121 Ų12164 Ų6465%0.64732%0.316SS*.THydrogen-bonded Turntrans-77.7-30.3-171-46.3-19.8000112.8H23H23-D25 VanDerWaalsContact C-N 3.27Å; H23-D25 IonicContact CE1-OD2 3.24Å; H23-D25 PolarHBondContact CE1-OD2 3.13Å; H23-D25 VanDerWaalsContact CE1-OD2 3.24Å; H23-D25 PolarHBondContact ND1-N 2.93Å; H23-D25 IonicContact ND1-OD2 2.67Å; H23-D25 PolarHBondContact O-N 2.87Å
26T85.4Confident90.7Very high64 Ų6462.9 Ų62.939%0.39331%0.307SS..THydrogen-bonded Turntrans-106.1-9.9-177.259.90000112.9H23 K28H23-T26 WeakPolarHBondContact CB-OG1 3.21Å; H23-T26 PolarHBondContact O-N 3.15Å; T26-K28 WeakPolarHBondContact O-CG 3.37Å; T26-K28 PolarHBondContact O-N 3.02Å
27K88.3Confident90.3Very high177 Ų17771.7 Ų71.777%0.7734%0.34SS*.  trans50.414.6-171.3-62-174.9179.1-179.50114.7H23H23-K27 VanDerWaalsContact O-CA 3.28Å; H23-K27 WeakPolarHBondContact O-CA 3.48Å; H23-K27 PolarHBondContact O-N 3.05Å
28K90.5Very high89.8Confident143 Ų14379.6 Ų79.662%0.62238%0.382SS*.  trans-86.8139.1179.3-70.3-178.4-177.6-176.20110.1H23 T26H23-K28 PolarHBondContact N-O 2.8Å; H23-K28 VanDerWaalsContact N-O 3.14Å; T26-K28 WeakPolarHBondContact O-CG 3.37Å; T26-K28 PolarHBondContact O-N 3.02Å
29I91.3Very high89.4Confident127 Ų12779.8 Ų79.865%0.65138%0.382SS*.EExtended strand (participates in β ladder)trans-71.9130.6170.9-59.6170.5000108.2V20 I22V20-I29 HydrophobicContact CG1-CG2 3.6Å; I22-I29 HydrophobicContact CG1-CG1 4.15Å
30R90.9Very high89.1Confident115 Ų11582 Ų8243%0.43440%0.397SS..EExtended strand (participates in β ladder)trans-129.4148.5177.9-67.2-171.8175.8-156.4-1110.1V20 Y21V20-R30 WeakPolarHBondContact CA-O 3.43Å; Y21-R30 HydrophobicContact CD1-CB 4.3Å; Y21-R30 WeakPolarHBondContact CD1-O 3.44Å; Y21-R30 HydrophobicContact CE1-CB 3.71Å; Y21-R30 HydrophobicContact CE2-CB 4Å; Y21-R30 PolarHBondContact N-O 3.35Å; Y21-R30 PolarHBondContact O-N 3.48Å
31K92.9Very high88.8Confident136 Ų13684.2 Ų84.259%0.59140%0.403SS*.EExtended strand (participates in β ladder)trans-107.9133.9173.3-179.9-176.2174.9-176.70108.7V18 L19V18-K31 HydrophobicContact CG1-CD 4.2Å; V18-K31 VanDerWaalsContact CG1-CE 3.49Å; V18-K31 HydrophobicContact CG1-CG 3.9Å; L19-K31 CarbonylContact O-C 3.41Å; L19-K31 WeakPolarHBondContact O-CA 3.5Å
32R90.9Very high88.5Confident64 Ų6492.1 Ų92.124%0.24243%0.434CS..EExtended strand (participates in β ladder)trans-122.4132.4169.8-173.9170.1-172.7135.2-9.6109.2L19 Y21 I34 R57 Y61L19-R32 PolarHBondContact N-O 3.09Å; L19-R32 PolarHBondContact O-N 2.93Å; Y21-R32 HydrophobicContact CD1-CB 4.5Å; Y21-R32 HydrophobicContact CE1-CB 3.96Å; R32-I34 HydrophobicContact CG-CG1 4.16Å; R32-R57 PolarHBondContact NH2-O 2.85Å; R32-Y61 VanDerWaalsContact CZ-CE2 3.49Å; R32-Y61 PolarHBondContact NH1-OH 3.49Å; R32-Y61 VanDerWaalsContact NH1-OH 3.09Å
33I92.7Very high88.3Confident81 Ų8191.7 Ų91.742%0.41544%0.435SS..EExtended strand (participates in β ladder)trans-106.2123.4174.6-55.6176.1000106.6V18V18-I33 HydrophobicContact CG2-CG1 4.47Å
34I92.7Very high88.3Confident1 Ų195.8 Ų95.81%0.00546%0.458CS..EExtended strand (participates in β ladder)trans-111.2105.8-179-54.7173.6000107.1S16 I17 R32 I36 L52 H58 L62S16-I34 CarbonylContact C-O 3.46Å; S16-I34 VanDerWaalsContact CA-O 3.26Å; S16-I34 WeakPolarHBondContact CA-O 3.46Å; S16-I34 WeakPolarHBondContact CB-O 3.28Å; I17-I34 PolarHBondContact N-O 2.97Å; I17-I34 PolarHBondContact O-N 2.96Å; R32-I34 HydrophobicContact CG-CG1 4.16Å; I34-I36 PolarHBondContact O-N 3.24Å; I34-L52 HydrophobicContact CG2-CD1 3.66Å; I34-H58 HydrophobicContact CD1-CB 4.14Å; I34-L62 HydrophobicContact CD1-CD1 4.21Å; I34-L62 HydrophobicContact CD1-CD2 4.39Å; I34-L62 HydrophobicContact CD1-CG 4.44Å
35P91.6Very high88.5Confident62 Ų6293.1 Ų93.140%0.40344%0.441SS..EExtended strand (participates in β ladder)trans-69133.6179.428.4-33.1000109.5
36I89.2Confident88.7Confident20 Ų2090 Ų9010%0.10343%0.429CS..  trans-92.5115.2174.1-62165.3000107.3P15 I17 I34 F39 L77P15-I36 PolarHBondContact O-N 2.92Å; I17-I36 HydrophobicContact CD1-CD1 3.69Å; I17-I36 HydrophobicContact CD1-CG1 4.39Å; I17-I36 HydrophobicContact CG1-CD1 3.71Å; I17-I36 HydrophobicContact CG1-CG1 4.46Å; I34-I36 PolarHBondContact O-N 3.24Å; I36-F39 HydrophobicContact CG2-CB 3.42Å; I36-F39 VanDerWaalsContact CG2-CB 3.42Å; I36-F39 HydrophobicContact CG2-CD2 4.21Å; I36-F39 HydrophobicContact CG2-CG 3.85Å; I36-L77 HydrophobicContact CD1-CD1 3.11Å
37R84.1Confident88.9Confident187 Ų18791 Ų9171%0.70643%0.431SS*.  trans-100.7152.1178.6-60.8-179.3-178155.6-3109.8F39R37-F39 PolarHBondContact O-N 2.95Å
38N81.9Confident89.1Confident167 Ų16783.4 Ų83.489%0.89340%0.401SS*.SBendtrans55.538.4177.1-55.6-11.6000113.1
39F86.3Confident89.2Confident25 Ų2576.6 Ų76.611%0.1137%0.371CS..  trans-109.2132.2177-169.1-102.2000109.9I36 R37 A48 H74 L77 R78 M81I36-F39 HydrophobicContact CG2-CB 3.42Å; I36-F39 VanDerWaalsContact CG2-CB 3.42Å; I36-F39 HydrophobicContact CG2-CD2 4.21Å; I36-F39 HydrophobicContact CG2-CG 3.85Å; R37-F39 PolarHBondContact O-N 2.95Å; F39-A48 HydrophobicContact CD2-CB 4.06Å; F39-A48 HydrophobicContact CE2-CB 3.85Å; F39-H74 HydrophobicContact CE2-CB 4.27Å; F39-H74 AromaticContact CE2-CD2 3.77Å; F39-H74 HydrophobicContact CZ-CB 4.14Å; F39-H74 WeakPolarHBondContact CZ-O 3.41Å; F39-L77 HydrophobicContact CE1-CB 3.94Å; F39-R78 HydrophobicContact CE1-CB 4.06Å; F39-R78 HydrophobicContact CZ-CB 4.01Å; F39-M81 HydrophobicContact CD1-SD 3.86Å; F39-M81 HydrophobicContact CE1-SD 4.25Å
40S87Confident89.2Confident48 Ų4875 Ų7534%0.33636%0.361SS..  trans-132165.7-176.3179.40000109.6Y42 S43S40-Y42 PolarHBondContact O-N 3.35Å; S40-S43 PolarHBondContact N-OG 2.99Å; S40-S43 WeakPolarHBondContact O-CB 3.47Å; S40-S43 PolarHBondContact O-N 3.29Å; S40-S43 PolarHBondContact O-OG 3.46Å
41K86.9Confident89.3Confident89 Ų8977.9 Ų77.939%0.38737%0.372SS..THydrogen-bonded Turntrans-58.9-16174.357.9173167.8168.10114.4R78 M81 Q82K41-R78 WeakPolarHBondContact O-CG 3.5Å; K41-M81 HydrophobicContact CB-CB 4.37Å; K41-Q82 HydrophobicContact CB-CG 3.85Å; K41-Q82 PolarHBondContact O-NE2 3.3Å; K41-Q82 VanDerWaalsContact O-NE2 3.17Å
42Y85.8Confident89.2Confident181 Ų18172.3 Ų72.371%0.7135%0.348SS*.THydrogen-bonded Turntrans-1041.5178.5-52.1-67.3000113.6S40S40-Y42 PolarHBondContact O-N 3.35Å
43S86.2Confident89.2Confident30 Ų3071.5 Ų71.521%0.2135%0.347CS..SBendtrans-74.2138.5-177.4-63.90000111.6S40 C45S40-S43 PolarHBondContact N-OG 2.99Å; S40-S43 WeakPolarHBondContact O-CB 3.47Å; S40-S43 PolarHBondContact O-N 3.29Å; S40-S43 PolarHBondContact O-OG 3.46Å; S43-C45 PolarHBondContact O-N 3.09Å
44D89.1Confident89.1Confident106 Ų10672.6 Ų72.657%0.56735%0.353SS*.  trans-67116.4172.8-67.5-52.3000110.8S46 M47 A48D44-S46 VanDerWaalsContact C-N 3.34Å; D44-S46 PolarHBondContact O-N 2.91Å; D44-M47 HydrophobicContact CB-CB 4.14Å; D44-M47 HydrophobicContact CB-CG 4.16Å; D44-M47 HydrophobicContact CB-SD 4.39Å; D44-A48 VanDerWaalsContact O-CB 3.31Å; D44-A48 WeakPolarHBondContact O-CB 3.31Å; D44-A48 PolarHBondContact O-N 3.36Å
45C89.7Confident89Confident11 Ų1176.3 Ų76.37%0.07437%0.37CS..Hα-helixtrans-68.3-33.5-174.8-63.10000112.4S43 A49 H74 I75S43-C45 PolarHBondContact O-N 3.09Å; C45-A49 WeakPolarHBondContact O-CB 3.33Å; C45-A49 PolarHBondContact O-N 2.94Å; C45-H74 HydrophobicContact CB-CB 3.93Å; C45-I75 HydrophobicContact CB-CG1 3.75Å
46S89.2Confident88.9Confident56 Ų5678.9 Ų78.939%0.39239%0.387SS..Hα-helixtrans-62.9-55.7174.9510000111.2D44 A48 A49 E50D44-S46 VanDerWaalsContact C-N 3.34Å; D44-S46 PolarHBondContact O-N 2.91Å; S46-A48 VanDerWaalsContact C-N 3.29Å; S46-A48 PolarHBondContact O-N 2.86Å; S46-A49 WeakPolarHBondContact O-CB 3.44Å; S46-A49 PolarHBondContact O-N 2.82Å; S46-A49 VanDerWaalsContact O-N 3.14Å; S46-E50 PolarHBondContact O-N 3.37Å
47M90.6Very high88.8Confident86 Ų8686.1 Ų86.142%0.42441%0.413SS..Hα-helixtrans-60.9-38.4178.1-67.2-170.572.700112.4D44 E50 R51D44-M47 HydrophobicContact CB-CB 4.14Å; D44-M47 HydrophobicContact CB-CG 4.16Å; D44-M47 HydrophobicContact CB-SD 4.39Å; M47-E50 PolarHBondContact O-N 3.14Å; M47-R51 WeakPolarHBondContact O-CB 3.34Å; M47-R51 WeakPolarHBondContact O-CG 3.43Å; M47-R51 PolarHBondContact O-N 3.04Å
48A91.5Very high88.9Confident17 Ų1778.4 Ų78.414%0.1439%0.385CS..Hα-helixtrans-63.4-42.9176.400000111.7F39 D44 S46 R51 L52F39-A48 HydrophobicContact CD2-CB 4.06Å; F39-A48 HydrophobicContact CE2-CB 3.85Å; D44-A48 VanDerWaalsContact O-CB 3.31Å; D44-A48 WeakPolarHBondContact O-CB 3.31Å; D44-A48 PolarHBondContact O-N 3.36Å; S46-A48 VanDerWaalsContact C-N 3.29Å; S46-A48 PolarHBondContact O-N 2.86Å; A48-R51 PolarHBondContact O-N 2.89Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 PolarHBondContact O-N 3.45Å
49A92.3Very high89.2Confident0 Ų077.5 Ų77.50%037%0.369CS..Hα-helixtrans-64.3-43.1176.500000112.6C45 S46 L52 K53 L67 L70 E71C45-A49 WeakPolarHBondContact O-CB 3.33Å; C45-A49 PolarHBondContact O-N 2.94Å; S46-A49 WeakPolarHBondContact O-CB 3.44Å; S46-A49 PolarHBondContact O-N 2.82Å; S46-A49 VanDerWaalsContact O-N 3.14Å; A49-L52 WeakPolarHBondContact O-CB 3.49Å; A49-L52 PolarHBondContact O-N 2.83Å; A49-K53 PolarHBondContact O-N 2.65Å; A49-L67 HydrophobicContact CB-CD1 3.87Å; A49-L70 HydrophobicContact CB-CB 3.89Å; A49-E71 HydrophobicContact CB-CB 4.33Å; A49-E71 HydrophobicContact CB-CG 3.53Å
50E92.1Very high89.2Confident94 Ų9478.6 Ų78.644%0.43939%0.387SS..Hα-helixtrans-62.3-46.6175.9-73.3-175.4168.900111.9S46 M47 L52 K53 N54 L67S46-E50 PolarHBondContact O-N 3.37Å; M47-E50 PolarHBondContact O-N 3.14Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.45Å; E50-K53 PolarHBondContact O-N 3.37Å; E50-N54 WeakPolarHBondContact O-CB 3.46Å; E50-N54 PolarHBondContact O-N 2.94Å; E50-N54 PolarHBondContact O-ND2 3.24Å; E50-L67 HydrophobicContact CG-CD1 3.99Å; E50-L67 HydrophobicContact CG-CD2 3.91Å
51R91.6Very high89.2Confident174 Ų17478.2 Ų78.266%0.65738%0.379SS*.Hα-helixtrans-58.1-41.4176.2-75.9172.8179.9-179.82.2111.3M47 A48 H55M47-R51 WeakPolarHBondContact O-CB 3.34Å; M47-R51 WeakPolarHBondContact O-CG 3.43Å; M47-R51 PolarHBondContact O-N 3.04Å; A48-R51 PolarHBondContact O-N 2.89Å; R51-H55 WeakPolarHBondContact O-CB 3.42Å; R51-H55 PolarHBondContact O-N 2.92Å; R51-H55 VanDerWaalsContact O-N 3.13Å
52L91.1Very high89.3Confident20 Ų2074 Ų7411%0.10536%0.361CS..Hα-helixtrans-65.3-45.6178.2-172.467.2000112I17 I34 A48 A49 E50 N54 H55 L62 L70I17-L52 HydrophobicContact CD1-CD2 3.36Å; I34-L52 HydrophobicContact CG2-CD1 3.66Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 PolarHBondContact O-N 3.45Å; A49-L52 WeakPolarHBondContact O-CB 3.49Å; A49-L52 PolarHBondContact O-N 2.83Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.45Å; L52-N54 VanDerWaalsContact C-N 3.35Å; L52-H55 WeakPolarHBondContact O-CB 3.49Å; L52-H55 PolarHBondContact O-N 3.39Å; L52-L62 HydrophobicContact CD2-CD1 4.31Å; L52-L62 HydrophobicContact CG-CD1 3.9Å; L52-L70 HydrophobicContact CD2-CD2 4.35Å
53K91.1Very high89.4Confident47 Ų4770.6 Ų70.620%0.20436%0.355CS..Hα-helixtrans-65.5-39-179.5-169168.6-179.8161.80111.8A49 E50 H55 R59 V65 L67 L70A49-K53 PolarHBondContact O-N 2.65Å; E50-K53 PolarHBondContact O-N 3.37Å; K53-H55 VanDerWaalsContact C-N 3.32Å; K53-H55 PolarHBondContact O-N 3.2Å; K53-R59 WeakPolarHBondContact O-CA 3.27Å; K53-R59 WeakPolarHBondContact O-CB 3.14Å; K53-V65 PolarHBondContact NZ-O 3.48Å; K53-L67 HydrophobicContact CD-CD1 4.43Å; K53-L70 HydrophobicContact CB-CD1 3.95Å; K53-L70 HydrophobicContact CD-CD1 4.33Å; K53-L70 HydrophobicContact CG-CD1 4.32Å
54N90.8Very high89.3Confident104 Ų10474.5 Ų74.556%0.55637%0.369SS*.Hα-helixtrans-82-7.9-179.2-67.8-33.5000113.7E50 L52E50-N54 WeakPolarHBondContact O-CB 3.46Å; E50-N54 PolarHBondContact O-N 2.94Å; E50-N54 PolarHBondContact O-ND2 3.24Å; L52-N54 VanDerWaalsContact C-N 3.35Å
55H90.8Very high89.4Confident78 Ų7869.7 Ų69.736%0.36134%0.344SS..  trans-65.3125.8-177.3-165.7-79.1000111.5R51 L52 K53 R57 H58 R59R51-H55 WeakPolarHBondContact O-CB 3.42Å; R51-H55 PolarHBondContact O-N 2.92Å; R51-H55 VanDerWaalsContact O-N 3.13Å; L52-H55 WeakPolarHBondContact O-CB 3.49Å; L52-H55 PolarHBondContact O-N 3.39Å; K53-H55 VanDerWaalsContact C-N 3.32Å; K53-H55 PolarHBondContact O-N 3.2Å; H55-R57 PolarHBondContact ND1-N 3.08Å; H55-R57 PolarHBondContact O-N 2.84Å; H55-H58 AromaticContact CG-CD2 4Å; H55-H58 AromaticContact ND1-CD2 3.61Å; H55-H58 PolarHBondContact O-N 3.04Å; H55-R59 WeakPolarHBondContact O-CB 3.4Å; H55-R59 PolarHBondContact O-N 3.16Å
56P88.4Confident89.4Confident116 Ų11672.1 Ų72.175%0.75336%0.36SS*.THydrogen-bonded Turntrans-54.8-34.4-172.2-28.233.7000114.7H58P56-H58 VanDerWaalsContact C-N 3.34Å; P56-H58 PolarHBondContact O-N 3.3Å
57R87.2Confident89.5Confident172 Ų17272 Ų7265%0.64935%0.354SS*.THydrogen-bonded Turntrans-72.3-22.3179.8-64.2-174.8-179.4-178.4-2.8114.7R32 H55R32-R57 PolarHBondContact NH2-O 2.85Å; H55-R57 PolarHBondContact ND1-N 3.08Å; H55-R57 PolarHBondContact O-N 2.84Å
58H87.4Confident89.3Confident25 Ų2571 Ų7112%0.11636%0.356CS..THydrogen-bonded Turntrans-120.7-22.5-169.4-56.2-59.6000112.7I34 H55 P56 G60 Y61 L62I34-H58 HydrophobicContact CD1-CB 4.14Å; H55-H58 AromaticContact CG-CD2 4Å; H55-H58 AromaticContact ND1-CD2 3.61Å; H55-H58 PolarHBondContact O-N 3.04Å; P56-H58 VanDerWaalsContact C-N 3.34Å; P56-H58 PolarHBondContact O-N 3.3Å; H58-G60 VanDerWaalsContact C-N 3.27Å; H58-G60 PolarHBondContact O-N 3.46Å; H58-Y61 PolarHBondContact O-N 3.49Å; H58-L62 HydrophobicContact CB-CD1 3.95Å; H58-L62 HydrophobicContact CB-CG 4.49Å; H58-L62 PolarHBondContact O-N 3.14Å; H58-L62 VanDerWaalsContact O-N 3.09Å
59R87.9Confident89.3Confident149 Ų14973.9 Ų73.956%0.56237%0.366SS*.Hα-helixtrans-46.8-47.6-179.8-175.8176.9177-179.70.6113K53 H55 Y61 L62 D63K53-R59 WeakPolarHBondContact O-CA 3.27Å; K53-R59 WeakPolarHBondContact O-CB 3.14Å; H55-R59 WeakPolarHBondContact O-CB 3.4Å; H55-R59 PolarHBondContact O-N 3.16Å; R59-Y61 PolarHBondContact O-N 3Å; R59-Y61 VanDerWaalsContact O-N 3.15Å; R59-L62 PolarHBondContact O-N 3.32Å; R59-D63 PolarHBondContact O-N 2.97Å; R59-D63 VanDerWaalsContact O-N 3.08Å
60G86.9Confident89.3Confident48 Ų4873.9 Ų73.950%0.49537%0.366SS..Hα-helixtrans-59.3-28.2-179.900000114.6C3 H58C3-G60 PolarHBondContact SG-O 2.9Å; H58-G60 VanDerWaalsContact C-N 3.27Å; H58-G60 PolarHBondContact O-N 3.46Å
61Y87.1Confident89.2Confident39 Ų3972 Ų7215%0.15336%0.358CS..Hα-helixtrans-93.7-24.8179.4-54.5-87000113.5C3 Y21 R32 H58 R59C3-Y61 HydrophobicContact CB-CD1 4.07Å; C3-Y61 VanDerWaalsContact SG-CD1 3.53Å; Y21-Y61 HydrophobicContact CD1-CD1 4.5Å; Y21-Y61 HydrophobicContact CD2-CD1 4.37Å; Y21-Y61 HydrophobicContact CE1-CD1 4.24Å; Y21-Y61 HydrophobicContact CE1-CE1 4.41Å; Y21-Y61 HydrophobicContact CE2-CD1 4.08Å; Y21-Y61 AromaticContact CE2-CE1 3.96Å; Y21-Y61 HydrophobicContact CE2-CE1 3.96Å; Y21-Y61 AromaticContact CZ-CE1 3.81Å; R32-Y61 VanDerWaalsContact CZ-CE2 3.49Å; R32-Y61 PolarHBondContact NH1-OH 3.49Å; R32-Y61 VanDerWaalsContact NH1-OH 3.09Å; H58-Y61 PolarHBondContact O-N 3.49Å; R59-Y61 PolarHBondContact O-N 3Å; R59-Y61 VanDerWaalsContact O-N 3.15Å
62L87.9Confident89.2Confident1 Ų168.4 Ų68.41%0.00535%0.347CS..Hα-helixtrans-97.20.7-176.1-65.6178.5000113.1L19 I34 L52 H58 R59 Q64 V65 L70L19-L62 HydrophobicContact CD2-CD2 4.1Å; I34-L62 HydrophobicContact CD1-CD1 4.21Å; I34-L62 HydrophobicContact CD1-CD2 4.39Å; I34-L62 HydrophobicContact CD1-CG 4.44Å; L52-L62 HydrophobicContact CD2-CD1 4.31Å; L52-L62 HydrophobicContact CG-CD1 3.9Å; H58-L62 HydrophobicContact CB-CD1 3.95Å; H58-L62 HydrophobicContact CB-CG 4.49Å; H58-L62 PolarHBondContact O-N 3.14Å; H58-L62 VanDerWaalsContact O-N 3.09Å; R59-L62 PolarHBondContact O-N 3.32Å; L62-Q64 VanDerWaalsContact C-N 3.29Å; L62-Q64 PolarHBondContact O-N 2.98Å; L62-V65 HydrophobicContact CD2-CB 4.43Å; L62-V65 HydrophobicContact CD2-CG2 4.1Å; L62-V65 PolarHBondContact O-N 3.35Å; L62-L70 HydrophobicContact CD1-CD1 4.4Å; L62-L70 HydrophobicContact CD2-CD2 4.18Å
63D87.4Confident89.3Confident110 Ų11068.1 Ų68.159%0.58835%0.345SS*.THydrogen-bonded Turntrans-59.3-42.6-177.2-155.437.9000111.7R59 V65R59-D63 PolarHBondContact O-N 2.97Å; R59-D63 VanDerWaalsContact O-N 3.08Å; D63-V65 VanDerWaalsContact C-N 3.31Å; D63-V65 PolarHBondContact O-N 3.21Å
64Q86.1Confident89.3Confident111 Ų11166 Ų6652%0.51934%0.336SS..THydrogen-bonded Turntrans-76.3-14.9177-61.3-173.36.800114C3 E4 A5 L62C3-Q64 PolarHBondContact O-NE2 3.02Å; E4-Q64 VanDerWaalsContact CA-OE1 3.26Å; A5-Q64 HydrophobicContact CB-CB 4.18Å; L62-Q64 VanDerWaalsContact C-N 3.29Å; L62-Q64 PolarHBondContact O-N 2.98Å
65V89.2Confident89.3Confident6 Ų662.3 Ų62.34%0.03632%0.316CS..SBendtrans-84.6123.8-178.4-175.50000108.5A5 L19 K53 L62 D63 Q69 L70A5-V65 HydrophobicContact CB-CG2 3.72Å; L19-V65 HydrophobicContact CD1-CG2 4.06Å; K53-V65 PolarHBondContact NZ-O 3.48Å; L62-V65 HydrophobicContact CD2-CB 4.43Å; L62-V65 HydrophobicContact CD2-CG2 4.1Å; L62-V65 PolarHBondContact O-N 3.35Å; D63-V65 VanDerWaalsContact C-N 3.31Å; D63-V65 PolarHBondContact O-N 3.21Å; V65-Q69 HydrophobicContact CG1-CB 4.3Å; V65-Q69 HydrophobicContact CG1-CG 4.44Å; V65-L70 HydrophobicContact CG1-CD2 3.93Å; V65-L70 HydrophobicContact CG1-CG 3.88Å
66P90.3Very high89.3Confident62 Ų6259.3 Ų59.340%0.40330%0.302SS..  trans-64.5144.2177.625.2-31.4000110.5S68 Q69 L70P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 PolarHBondContact O-N 2.8Å; P66-Q69 HydrophobicContact CG-CB 3.79Å; P66-Q69 PolarHBondContact O-N 3.11Å; P66-Q69 VanDerWaalsContact O-N 3.11Å; P66-L70 PolarHBondContact O-N 3.07Å
67L90.9Very high89.4Confident53 Ų5353.9 Ų53.928%0.27727%0.267SS..Hα-helixtrans-58.8-41.9-178.6-179.663.8000111.1A49 E50 K53 Q69 L70 E71A49-L67 HydrophobicContact CB-CD1 3.87Å; E50-L67 HydrophobicContact CG-CD1 3.99Å; E50-L67 HydrophobicContact CG-CD2 3.91Å; K53-L67 HydrophobicContact CD-CD1 4.43Å; L67-Q69 PolarHBondContact O-N 2.91Å; L67-L70 WeakPolarHBondContact O-CA 3.33Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 3.12Å; L67-E71 HydrophobicContact CG-CG 4.4Å; L67-E71 WeakPolarHBondContact O-CG 3.36Å; L67-E71 PolarHBondContact O-N 2.91Å
68S88.3Confident89.6Confident64 Ų6448.6 Ų48.645%0.44825%0.247SC..Hα-helixtrans-56.8-34.5177.457.50000113.5P66 E71 K72P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 PolarHBondContact O-N 2.8Å; S68-E71 PolarHBondContact O-N 3Å; S68-K72 VanDerWaalsContact O-CG 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.3Å; S68-K72 PolarHBondContact O-N 3.28Å
69Q90.3Very high89.8Confident78 Ų7847.9 Ų47.936%0.36424%0.244SC..Hα-helixtrans-70.9-39.8175.6-175.2170.431.700111.2C8 V65 P66 L67 E71 K72 L73C8-Q69 VanDerWaalsContact SG-CG 3.54Å; C8-Q69 PolarHBondContact SG-NE2 3.34Å; V65-Q69 HydrophobicContact CG1-CB 4.3Å; V65-Q69 HydrophobicContact CG1-CG 4.44Å; P66-Q69 HydrophobicContact CG-CB 3.79Å; P66-Q69 PolarHBondContact O-N 3.11Å; P66-Q69 VanDerWaalsContact O-N 3.11Å; L67-Q69 PolarHBondContact O-N 2.91Å; Q69-E71 VanDerWaalsContact C-N 3.34Å; Q69-K72 PolarHBondContact O-N 2.89Å; Q69-L73 WeakPolarHBondContact O-CG 3.35Å; Q69-L73 PolarHBondContact O-N 3.3Å; Q69-L73 VanDerWaalsContact O-N 3.14Å
70L91.6Very high89.9Confident1 Ų144.2 Ų44.21%0.00523%0.233CC..Hα-helixtrans-64.5-39.6174-65.7175.4000111.6A49 L52 K53 L62 V65 P66 L67 L73 H74A49-L70 HydrophobicContact CB-CB 3.89Å; L52-L70 HydrophobicContact CD2-CD2 4.35Å; K53-L70 HydrophobicContact CB-CD1 3.95Å; K53-L70 HydrophobicContact CD-CD1 4.33Å; K53-L70 HydrophobicContact CG-CD1 4.32Å; L62-L70 HydrophobicContact CD1-CD1 4.4Å; L62-L70 HydrophobicContact CD2-CD2 4.18Å; V65-L70 HydrophobicContact CG1-CD2 3.93Å; V65-L70 HydrophobicContact CG1-CG 3.88Å; P66-L70 PolarHBondContact O-N 3.07Å; L67-L70 WeakPolarHBondContact O-CA 3.33Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 3.12Å; L70-L73 HydrophobicContact CD2-CD1 4.33Å; L70-L73 PolarHBondContact O-N 3.1Å; L70-H74 PolarHBondContact O-N 3.1Å; L70-H74 PolarHBondContact O-ND1 2.84Å
71E91.7Very high89.9Confident55 Ų5546 Ų4626%0.25723%0.23SC..Hα-helixtrans-59.9-46.4174.7-69.3178.5162.100111.7A49 L67 S68 Q69 L73 H74 I75A49-E71 HydrophobicContact CB-CB 4.33Å; A49-E71 HydrophobicContact CB-CG 3.53Å; L67-E71 HydrophobicContact CG-CG 4.4Å; L67-E71 WeakPolarHBondContact O-CG 3.36Å; L67-E71 PolarHBondContact O-N 2.91Å; S68-E71 PolarHBondContact O-N 3Å; Q69-E71 VanDerWaalsContact C-N 3.34Å; E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.09Å; E71-H74 PolarHBondContact O-N 3.4Å; E71-H74 VanDerWaalsContact O-N 3.08Å; E71-I75 WeakPolarHBondContact O-CG1 3.26Å; E71-I75 PolarHBondContact O-N 3.2Å
72K91.1Very high90Very high97 Ų9748.8 Ų48.842%0.42224%0.244SC..Hα-helixtrans-55.4-44174.7-72.8177.4-178.2-169.60111.9S68 Q69 H74 I75 I76 F93S68-K72 VanDerWaalsContact O-CG 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.3Å; S68-K72 PolarHBondContact O-N 3.28Å; Q69-K72 PolarHBondContact O-N 2.89Å; K72-H74 VanDerWaalsContact C-N 3.34Å; K72-H74 PolarHBondContact O-N 2.74Å; K72-I75 PolarHBondContact O-N 3.43Å; K72-I76 VanDerWaalsContact O-CG1 3.3Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 3.48Å; K72-F93 HydrophobicContact CB-CE1 4.42Å; K72-F93 HydrophobicContact CB-CZ 4.23Å; K72-F93 HydrophobicContact CD-CD1 4.41Å; K72-F93 HydrophobicContact CG-CD1 4.14Å; K72-F93 HydrophobicContact CG-CE1 3.75Å; K72-F93 HydrophobicContact CG-CZ 4.07Å
73L92.3Very high90Very high15 Ų1552 Ų528%0.07928%0.278CS..Hα-helixtrans-63.6-39177.2-61.7174000112.1C8 V10 I17 Q69 L70 E71 I76 L77C8-L73 HydrophobicContact CB-CD1 3.89Å; V10-L73 HydrophobicContact CG1-CB 3.66Å; V10-L73 HydrophobicContact CG1-CD2 3.82Å; V10-L73 HydrophobicContact CG1-CG 4.22Å; I17-L73 HydrophobicContact CD1-CB 4.15Å; I17-L73 HydrophobicContact CD1-CD1 4.3Å; I17-L73 HydrophobicContact CG1-CB 4.29Å; I17-L73 HydrophobicContact CG1-CD1 4.23Å; I17-L73 HydrophobicContact CG2-CD1 4.05Å; Q69-L73 WeakPolarHBondContact O-CG 3.35Å; Q69-L73 PolarHBondContact O-N 3.3Å; Q69-L73 VanDerWaalsContact O-N 3.14Å; L70-L73 HydrophobicContact CD2-CD1 4.33Å; L70-L73 PolarHBondContact O-N 3.1Å; E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.09Å; L73-I76 PolarHBondContact O-N 3.43Å; L73-L77 WeakPolarHBondContact O-CG 3.36Å; L73-L77 PolarHBondContact O-N 3.43Å; L73-L77 VanDerWaalsContact O-N 3.08Å
74H91.3Very high89.9Confident2 Ų250.3 Ų50.31%0.00927%0.268CS..Hα-helixtrans-68.2-37.5176-7385.8000112.3F39 C45 L70 E71 K72 L77 R78F39-H74 HydrophobicContact CE2-CB 4.27Å; F39-H74 AromaticContact CE2-CD2 3.77Å; F39-H74 HydrophobicContact CZ-CB 4.14Å; F39-H74 WeakPolarHBondContact CZ-O 3.41Å; C45-H74 HydrophobicContact CB-CB 3.93Å; L70-H74 PolarHBondContact O-N 3.1Å; L70-H74 PolarHBondContact O-ND1 2.84Å; E71-H74 PolarHBondContact O-N 3.4Å; E71-H74 VanDerWaalsContact O-N 3.08Å; K72-H74 VanDerWaalsContact C-N 3.34Å; K72-H74 PolarHBondContact O-N 2.74Å; H74-L77 PolarHBondContact O-N 3.05Å; H74-R78 WeakPolarHBondContact O-CB 3.45Å; H74-R78 PolarHBondContact O-N 3Å
75I90.6Very high90Very high26 Ų2647.4 Ų47.413%0.13326%0.26CS..Hα-helixtrans-61.3-50.2174.3-67.6164.8000109.9C45 E71 K72 L77 R78 D79 F93C45-I75 HydrophobicContact CB-CG1 3.75Å; E71-I75 WeakPolarHBondContact O-CG1 3.26Å; E71-I75 PolarHBondContact O-N 3.2Å; K72-I75 PolarHBondContact O-N 3.43Å; I75-L77 VanDerWaalsContact C-N 3.26Å; I75-L77 PolarHBondContact O-N 3.08Å; I75-R78 WeakPolarHBondContact O-CB 3.46Å; I75-R78 PolarHBondContact O-N 3.33Å; I75-D79 VanDerWaalsContact CG2-OD2 3.28Å; I75-D79 WeakPolarHBondContact CG2-OD2 3.3Å; I75-D79 WeakPolarHBondContact O-CB 3.47Å; I75-D79 PolarHBondContact O-N 2.97Å; I75-F93 HydrophobicContact CB-CZ 3.92Å; I75-F93 HydrophobicContact CD1-CE1 4.07Å; I75-F93 HydrophobicContact CD1-CZ 3.97Å; I75-F93 HydrophobicContact CG2-CE2 4.3Å; I75-F93 HydrophobicContact CG2-CZ 3.65Å
76I91.8Very high89.9Confident15 Ų1551 Ų518%0.07728%0.279CS..Hα-helixtrans-57.5-40.1178.3-66.1164.8000111.4V10 F12 K72 L73 H80 L86 L90 F93V10-I76 HydrophobicContact CG2-CG2 3.91Å; F12-I76 HydrophobicContact CE1-CG2 3.98Å; F12-I76 HydrophobicContact CZ-CG2 3.86Å; K72-I76 VanDerWaalsContact O-CG1 3.3Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 3.48Å; L73-I76 PolarHBondContact O-N 3.43Å; I76-H80 WeakPolarHBondContact O-CB 3.34Å; I76-H80 PolarHBondContact O-N 2.82Å; I76-L86 HydrophobicContact CG2-CD1 3.6Å; I76-L90 HydrophobicContact CD1-CD2 4.09Å; I76-F93 HydrophobicContact CD1-CE2 4.44Å; I76-F93 HydrophobicContact CG1-CE2 4.02Å
77L91Very high89.7Confident2 Ų255.3 Ų55.31%0.0129%0.293CS..Hα-helixtrans-65.4-43.8175.7-76.9166.6000112.5V10 F12 P15 I17 I36 F39 L73 H74 I75 H80 M81V10-L77 HydrophobicContact CB-CD1 4.45Å; V10-L77 HydrophobicContact CB-CD2 3.96Å; V10-L77 HydrophobicContact CB-CG 4.02Å; V10-L77 HydrophobicContact CG1-CD1 3.88Å; V10-L77 HydrophobicContact CG1-CD2 4.24Å; V10-L77 HydrophobicContact CG1-CG 3.74Å; F12-L77 HydrophobicContact CD1-CD2 3.8Å; F12-L77 HydrophobicContact CE1-CD2 4.14Å; P15-L77 HydrophobicContact CB-CD2 4.32Å; I17-L77 HydrophobicContact CG1-CD1 4.4Å; I36-L77 HydrophobicContact CD1-CD1 3.11Å; F39-L77 HydrophobicContact CE1-CB 3.94Å; L73-L77 WeakPolarHBondContact O-CG 3.36Å; L73-L77 PolarHBondContact O-N 3.43Å; L73-L77 VanDerWaalsContact O-N 3.08Å; H74-L77 PolarHBondContact O-N 3.05Å; I75-L77 VanDerWaalsContact C-N 3.26Å; I75-L77 PolarHBondContact O-N 3.08Å; L77-H80 PolarHBondContact O-N 3.41Å; L77-M81 WeakPolarHBondContact O-CG 3.43Å; L77-M81 PolarHBondContact O-N 3.3Å
78R91.2Very high89.3Confident61 Ų6157.5 Ų57.523%0.2331%0.306CS..Hα-helixtrans-62.5-45.4177.7-177.2-161.364.1-170.9-0.8110.8F39 K41 H74 I75 H80 M81 Q82F39-R78 HydrophobicContact CE1-CB 4.06Å; F39-R78 HydrophobicContact CZ-CB 4.01Å; K41-R78 WeakPolarHBondContact O-CG 3.5Å; H74-R78 WeakPolarHBondContact O-CB 3.45Å; H74-R78 PolarHBondContact O-N 3Å; I75-R78 WeakPolarHBondContact O-CB 3.46Å; I75-R78 PolarHBondContact O-N 3.33Å; R78-H80 VanDerWaalsContact C-N 3.33Å; R78-H80 PolarHBondContact O-N 3.24Å; R78-M81 CarbonylContact O-C 3.56Å; R78-M81 WeakPolarHBondContact O-CA 3.4Å; R78-M81 WeakPolarHBondContact O-CB 3.43Å; R78-M81 PolarHBondContact O-N 2.78Å; R78-Q82 WeakPolarHBondContact O-CG 3.48Å; R78-Q82 PolarHBondContact O-N 2.82Å
79D90.7Very high89.1Confident11 Ų1154.6 Ų54.66%0.05929%0.285CS..Hα-helixtrans-64.2-41.3-178-64.4-5.3000110.2I75 M81 Q82 G83 L84 S89I75-D79 VanDerWaalsContact CG2-OD2 3.28Å; I75-D79 WeakPolarHBondContact CG2-OD2 3.3Å; I75-D79 WeakPolarHBondContact O-CB 3.47Å; I75-D79 PolarHBondContact O-N 2.97Å; D79-M81 VanDerWaalsContact C-N 3.34Å; D79-M81 PolarHBondContact O-N 2.82Å; D79-Q82 CarbonylContact O-C 3.48Å; D79-Q82 WeakPolarHBondContact O-CA 3.45Å; D79-Q82 WeakPolarHBondContact O-CB 3.48Å; D79-Q82 PolarHBondContact O-N 2.78Å; D79-G83 PolarHBondContact O-N 3.47Å; D79-L84 HydrophobicContact CB-CB 4.13Å; D79-L84 HydrophobicContact CB-CD1 3.8Å; D79-L84 WeakPolarHBondContact O-CB 3.37Å; D79-L84 PolarHBondContact O-N 2.94Å; D79-S89 WeakPolarHBondContact CB-OG 3.39Å
80H90.1Very high88.8Confident72 Ų7254.9 Ų54.933%0.33329%0.289SS..Hα-helixtrans-61.2-38.9170.8179.5-79.3000112.8F12 I76 L77 R78 Q82 G83F12-H80 VanDerWaalsContact CB-CE1 3.49Å; F12-H80 WeakPolarHBondContact CB-CE1 3.45Å; F12-H80 HydrophobicContact CD1-CB 3.42Å; F12-H80 VanDerWaalsContact CD1-CB 3.42Å; F12-H80 AromaticContact CD1-CD2 3.45Å; F12-H80 VanDerWaalsContact CD1-CD2 3.45Å; F12-H80 WeakPolarHBondContact CD1-CD2 3.35Å; F12-H80 AromaticContact CD1-CG 3.16Å; F12-H80 AromaticContact CD1-ND1 3.56Å; F12-H80 AromaticContact CD1-NE2 3.98Å; F12-H80 AromaticContact CD2-CD2 3.79Å; F12-H80 AromaticContact CD2-NE2 3.94Å; F12-H80 HydrophobicContact CE1-CB 3.35Å; F12-H80 AromaticContact CE1-CD2 3.77Å; F12-H80 AromaticContact CE1-CG 3.56Å; F12-H80 HydrophobicContact CG-CB 4.33Å; F12-H80 AromaticContact CG-CD2 3.47Å; F12-H80 VanDerWaalsContact CG-CD2 3.47Å; F12-H80 WeakPolarHBondContact CG-CD2 3.26Å; F12-H80 AromaticContact CG-CE1 3.81Å; F12-H80 AromaticContact CG-CG 3.62Å; F12-H80 AromaticContact CG-ND1 3.81Å; F12-H80 AromaticContact CG-NE2 3.58Å; F12-H80 HydrophobicContact CZ-CB 4.23Å; I76-H80 WeakPolarHBondContact O-CB 3.34Å; I76-H80 PolarHBondContact O-N 2.82Å; L77-H80 PolarHBondContact O-N 3.41Å; R78-H80 VanDerWaalsContact C-N 3.33Å; R78-H80 PolarHBondContact O-N 3.24Å; H80-Q82 PolarHBondContact O-N 2.9Å; H80-G83 PolarHBondContact O-N 2.76Å; H80-G83 VanDerWaalsContact O-N 3.09Å
81M88.2Confident88.4Confident85 Ų8556.8 Ų56.842%0.41931%0.305SS..Hα-helixtrans-67.1-21.4174.3-67.9179.378.900113.2F39 K41 L77 R78 D79 G83F39-M81 HydrophobicContact CD1-SD 3.86Å; F39-M81 HydrophobicContact CE1-SD 4.25Å; K41-M81 HydrophobicContact CB-CB 4.37Å; L77-M81 WeakPolarHBondContact O-CG 3.43Å; L77-M81 PolarHBondContact O-N 3.3Å; R78-M81 CarbonylContact O-C 3.56Å; R78-M81 WeakPolarHBondContact O-CA 3.4Å; R78-M81 WeakPolarHBondContact O-CB 3.43Å; R78-M81 PolarHBondContact O-N 2.78Å; D79-M81 VanDerWaalsContact C-N 3.34Å; D79-M81 PolarHBondContact O-N 2.82Å; M81-G83 VanDerWaalsContact C-N 3.33Å
82Q87.6Confident87.7Confident98 Ų9855.8 Ų55.846%0.45830%0.304SS..THydrogen-bonded Turntrans-86.5-4.8173.4-66.7175.84.200112.6K41 R78 D79 H80K41-Q82 HydrophobicContact CB-CG 3.85Å; K41-Q82 PolarHBondContact O-NE2 3.3Å; K41-Q82 VanDerWaalsContact O-NE2 3.17Å; R78-Q82 WeakPolarHBondContact O-CG 3.48Å; R78-Q82 PolarHBondContact O-N 2.82Å; D79-Q82 CarbonylContact O-C 3.48Å; D79-Q82 WeakPolarHBondContact O-CA 3.45Å; D79-Q82 WeakPolarHBondContact O-CB 3.48Å; D79-Q82 PolarHBondContact O-N 2.78Å; H80-Q82 PolarHBondContact O-N 2.9Å
83G87.8Confident86.9Confident69 Ų6952.7 Ų52.771%0.71129%0.29SS*.THydrogen-bonded Turntrans88.411.4-179.300000114.4D79 H80 M81D79-G83 PolarHBondContact O-N 3.47Å; H80-G83 PolarHBondContact O-N 2.76Å; H80-G83 VanDerWaalsContact O-N 3.09Å; M81-G83 VanDerWaalsContact C-N 3.33Å
84L86.4Confident86.2Confident74 Ų7457.8 Ų57.839%0.38731%0.314SS..  trans-75.5145.4173.9-63.4170000110.5D79D79-L84 HydrophobicContact CB-CB 4.13Å; D79-L84 HydrophobicContact CB-CD1 3.8Å; D79-L84 WeakPolarHBondContact O-CB 3.37Å; D79-L84 PolarHBondContact O-N 2.94Å
85S88.3Confident85.2Confident49 Ų4960.5 Ų60.534%0.34333%0.328SS..  trans-69.8154.7173.8740000110.8E87 N88 S89S85-E87 PolarHBondContact O-N 3.08Å; S85-N88 PolarHBondContact O-N 3.34Å; S85-N88 WeakPolarHBondContact OG-CB 3.45Å; S85-N88 PolarHBondContact OG-N 3.08Å; S85-N88 VanDerWaalsContact OG-N 3.12Å; S85-N88 PolarHBondContact OG-ND2 3Å; S85-N88 PolarHBondContact OG-OD1 3.37Å; S85-S89 PolarHBondContact O-N 3.46Å; S85-S89 VanDerWaalsContact O-N 3.1Å; S85-S89 PolarHBondContact O-OG 2.82Å
86L86.6Confident84.4Confident81 Ų8163.3 Ų63.342%0.42434%0.343SS..Hα-helixtrans-60.6-38.7174.2176.761.6000111.1F12 I76 S89 L90F12-L86 HydrophobicContact CZ-CD1 4.25Å; I76-L86 HydrophobicContact CG2-CD1 3.6Å; L86-S89 WeakPolarHBondContact O-CB 3.43Å; L86-S89 PolarHBondContact O-N 3.05Å; L86-L90 HydrophobicContact CD1-CD1 4.09Å; L86-L90 HydrophobicContact CD1-CG 4.07Å; L86-L90 HydrophobicContact CG-CD1 3.91Å; L86-L90 HydrophobicContact CG-CG 4.32Å; L86-L90 WeakPolarHBondContact O-CB 3.28Å; L86-L90 VanDerWaalsContact O-CG 3.28Å; L86-L90 WeakPolarHBondContact O-CG 3.48Å; L86-L90 PolarHBondContact O-N 3.1Å
87E85.3Confident83.6Confident153 Ų15368.4 Ų68.472%0.71538%0.377SS*.Hα-helixtrans-61.4-47179.2-65.2179.7173.400111.3S85 S89 L90 A91S85-E87 PolarHBondContact O-N 3.08Å; E87-S89 VanDerWaalsContact C-N 3.3Å; E87-S89 PolarHBondContact O-N 2.84Å; E87-L90 PolarHBondContact O-N 3.28Å; E87-A91 WeakPolarHBondContact O-CB 3.38Å; E87-A91 PolarHBondContact O-N 3.06Å
88N83.6Confident82.9Confident100 Ų10076.1 Ų76.154%0.53542%0.418SS..Hα-helixtrans-62.4-41176.9-66.8-1.4000111.3S85 L90 A91 S92S85-N88 PolarHBondContact O-N 3.34Å; S85-N88 WeakPolarHBondContact OG-CB 3.45Å; S85-N88 PolarHBondContact OG-N 3.08Å; S85-N88 VanDerWaalsContact OG-N 3.12Å; S85-N88 PolarHBondContact OG-ND2 3Å; S85-N88 PolarHBondContact OG-OD1 3.37Å; N88-L90 VanDerWaalsContact C-N 3.33Å; N88-L90 PolarHBondContact O-N 3.49Å; N88-A91 PolarHBondContact O-N 3.26Å; N88-S92 PolarHBondContact O-N 3.14Å; N88-S92 VanDerWaalsContact O-N 3.17Å
89S83.4Confident82.4Confident3 Ų376.4 Ų76.42%0.02142%0.423CS..Hα-helixtrans-62.6-42.1178.1-53.10000111.1D79 S85 L86 E87 S92 F93D79-S89 WeakPolarHBondContact CB-OG 3.39Å; S85-S89 PolarHBondContact O-N 3.46Å; S85-S89 VanDerWaalsContact O-N 3.1Å; S85-S89 PolarHBondContact O-OG 2.82Å; L86-S89 WeakPolarHBondContact O-CB 3.43Å; L86-S89 PolarHBondContact O-N 3.05Å; E87-S89 VanDerWaalsContact C-N 3.3Å; E87-S89 PolarHBondContact O-N 2.84Å; S89-S92 PolarHBondContact O-OG 3.33Å; S89-F93 WeakPolarHBondContact O-CD2 3.28Å; S89-F93 WeakPolarHBondContact O-CE2 3.42Å
90L85.1Confident82Confident84 Ų8479.1 Ų79.144%0.4444%0.437SS..Hα-helixtrans-70.6-42.7178.8-72.1174.4000112.7I76 L86 E87 N88 S92 F93I76-L90 HydrophobicContact CD1-CD2 4.09Å; L86-L90 HydrophobicContact CD1-CD1 4.09Å; L86-L90 HydrophobicContact CD1-CG 4.07Å; L86-L90 HydrophobicContact CG-CD1 3.91Å; L86-L90 HydrophobicContact CG-CG 4.32Å; L86-L90 WeakPolarHBondContact O-CB 3.28Å; L86-L90 VanDerWaalsContact O-CG 3.28Å; L86-L90 WeakPolarHBondContact O-CG 3.48Å; L86-L90 PolarHBondContact O-N 3.1Å; E87-L90 PolarHBondContact O-N 3.28Å; N88-L90 VanDerWaalsContact C-N 3.33Å; N88-L90 PolarHBondContact O-N 3.49Å; L90-S92 PolarHBondContact O-N 2.93Å; L90-F93 PolarHBondContact O-N 3.2Å
91A82.6Confident81.5Confident41 Ų4178.7 Ų78.734%0.33944%0.437SS..Hα-helixtrans-57.2-37.3176.500000111.1E87 N88 F93 Q94E87-A91 WeakPolarHBondContact O-CB 3.38Å; E87-A91 PolarHBondContact O-N 3.06Å; N88-A91 PolarHBondContact O-N 3.26Å; A91-F93 PolarHBondContact O-N 2.88Å; A91-Q94 PolarHBondContact O-N 3.2Å
92S76.1Confident81.2Confident33 Ų3381.8 Ų81.823%0.23146%0.455CS..THydrogen-bonded Turntrans-59.5-23.4177.590.70000114N88 S89 L90 R111N88-S92 PolarHBondContact O-N 3.14Å; N88-S92 VanDerWaalsContact O-N 3.17Å; S89-S92 PolarHBondContact O-OG 3.33Å; L90-S92 PolarHBondContact O-N 2.93Å; S92-R111 VanDerWaalsContact C-NH2 3.28Å; S92-R111 PolarHBondContact O-NH2 2.93Å; S92-R111 PolarHBondContact OG-NH2 2.67Å
93F76.1Confident81Confident33 Ų3385.1 Ų85.115%0.14547%0.468CS..THydrogen-bonded Turntrans-92.5-4.8176.9-63.4-69.7000114K72 I75 I76 S89 L90 A91 Q115K72-F93 HydrophobicContact CB-CE1 4.42Å; K72-F93 HydrophobicContact CB-CZ 4.23Å; K72-F93 HydrophobicContact CD-CD1 4.41Å; K72-F93 HydrophobicContact CG-CD1 4.14Å; K72-F93 HydrophobicContact CG-CE1 3.75Å; K72-F93 HydrophobicContact CG-CZ 4.07Å; I75-F93 HydrophobicContact CB-CZ 3.92Å; I75-F93 HydrophobicContact CD1-CE1 4.07Å; I75-F93 HydrophobicContact CD1-CZ 3.97Å; I75-F93 HydrophobicContact CG2-CE2 4.3Å; I75-F93 HydrophobicContact CG2-CZ 3.65Å; I76-F93 HydrophobicContact CD1-CE2 4.44Å; I76-F93 HydrophobicContact CG1-CE2 4.02Å; S89-F93 WeakPolarHBondContact O-CD2 3.28Å; S89-F93 WeakPolarHBondContact O-CE2 3.42Å; L90-F93 PolarHBondContact O-N 3.2Å; A91-F93 PolarHBondContact O-N 2.88Å; F93-Q115 PolarHBondContact O-OE1 3.34Å
94Q76.3Confident80.6Confident122 Ų12283.5 Ų83.557%0.5744%0.443SS*.SBendtrans-92.3147.8174.5-67.3177.4-41.900109.1A91A91-Q94 PolarHBondContact O-N 3.2Å
95L71Confident80.5Confident58 Ų5884.9 Ų84.930%0.30445%0.451SS..  trans-98.3105.1173.5-71172.3000106.8K112 Q115 M116 L119L95-K112 HydrophobicContact CD2-CB 3.9Å; L95-K112 HydrophobicContact CD2-CD 4.46Å; L95-K112 HydrophobicContact CD2-CG 3.97Å; L95-Q115 HydrophobicContact CD1-CB 3.84Å; L95-Q115 HydrophobicContact CD2-CB 4.2Å; L95-Q115 HydrophobicContact CG-CB 4.22Å; L95-M116 HydrophobicContact CD1-CG 3.87Å; L95-M116 HydrophobicContact CD2-CG 4.31Å; L95-L119 HydrophobicContact CD1-CD1 3.61Å
96D73.9Confident80.2Confident85 Ų8588.8 Ų88.846%0.45547%0.468SS..  trans-86.9119.5175.8-71.2-24.5000108.9D98 E99D96-D98 PolarHBondContact O-N 3Å; D96-E99 HydrophobicContact CB-CB 4.04Å; D96-E99 PolarHBondContact O-N 3.12Å
97P74.6Confident79.8Confident122 Ų12292.6 Ų92.679%0.79248%0.481SS*.THydrogen-bonded Turntrans-63.1-28.1-178.2-22.733.6000113.9
98D77.2Confident79.5Confident164 Ų16489.8 Ų89.888%0.87747%0.468SS*.THydrogen-bonded Turntrans-93.53.5-174-55-41.8000113D96D96-D98 PolarHBondContact O-N 3Å
99E79.3Confident79.5Confident68 Ų6888.1 Ų88.132%0.31846%0.458SS..  trans-79.3131.9-176.2-168.3-178.8-176.900112D96 L101 K112D96-E99 HydrophobicContact CB-CB 4.04Å; D96-E99 PolarHBondContact O-N 3.12Å; E99-L101 PolarHBondContact O-N 3.31Å; E99-K112 IonicContact OE1-NZ 3.08Å; E99-K112 PolarHBondContact OE1-NZ 2.56Å; E99-K112 IonicContact OE2-NZ 3.45Å; E99-K112 PolarHBondContact OE2-NZ 2.91Å
100D81.8Confident79.5Confident67 Ų6791 Ų9136%0.35848%0.483SS..  trans-74.192177-172.71.8000111N102 K103D100-N102 PolarHBondContact O-N 3.26Å; D100-N102 VanDerWaalsContact O-N 3.1Å; D100-N102 WeakPolarHBondContact OD1-CB 3.32Å; D100-N102 PolarHBondContact OD1-N 3.04Å; D100-N102 PolarHBondContact OD1-ND2 3.4Å; D100-N102 VanDerWaalsContact OD1-ND2 3.07Å; D100-K103 HydrophobicContact CB-CD 4.33Å; D100-K103 PolarHBondContact O-N 2.91Å; D100-K103 WeakPolarHBondContact OD2-CD 3.1Å; D100-K103 WeakPolarHBondContact OD2-CE 3.33Å; D100-K103 IonicContact OD2-NZ 2.65Å; D100-K103 PolarHBondContact OD2-NZ 3.05Å
101L79.6Confident79.3Confident63 Ų6390.6 Ų90.633%0.3348%0.475SS..G310 helixtrans-61.9-16.5-179-59.1-178.5000113.6E99 K103 L104 L109 K112E99-L101 PolarHBondContact O-N 3.31Å; L101-K103 PolarHBondContact O-N 2.93Å; L101-L104 HydrophobicContact CB-CD1 4.47Å; L101-L104 HydrophobicContact CD2-CD1 3.63Å; L101-L104 PolarHBondContact O-N 2.86Å; L101-L109 HydrophobicContact CB-CD1 4.17Å; L101-K112 HydrophobicContact CD2-CD 3.98Å
102N82Confident79.3Confident151 Ų15189.1 Ų89.181%0.80746%0.461SS*.G310 helixtrans-74.6-15.3179.5-57.7-58.9000113.2D100D100-N102 PolarHBondContact O-N 3.26Å; D100-N102 VanDerWaalsContact O-N 3.1Å; D100-N102 WeakPolarHBondContact OD1-CB 3.32Å; D100-N102 PolarHBondContact OD1-N 3.04Å; D100-N102 PolarHBondContact OD1-ND2 3.4Å; D100-N102 VanDerWaalsContact OD1-ND2 3.07Å
103K84.3Confident79.7Confident168 Ų16893.5 Ų93.573%0.7348%0.476SS*.G310 helixtrans-92.7-5.1179.3-68.8176.7178.3128.80113.4D100 L101D100-K103 HydrophobicContact CB-CD 4.33Å; D100-K103 PolarHBondContact O-N 2.91Å; D100-K103 WeakPolarHBondContact OD2-CD 3.1Å; D100-K103 WeakPolarHBondContact OD2-CE 3.33Å; D100-K103 IonicContact OD2-NZ 2.65Å; D100-K103 PolarHBondContact OD2-NZ 3.05Å; L101-K103 PolarHBondContact O-N 2.93Å
104L78.4Confident80Confident35 Ų3593.6 Ų93.618%0.18349%0.486CS..SBendtrans-83.5152.8-176.2-61.2175.2000111.6L101 K112L101-L104 HydrophobicContact CB-CD1 4.47Å; L101-L104 HydrophobicContact CD2-CD1 3.63Å; L101-L104 PolarHBondContact O-N 2.86Å; L104-K112 HydrophobicContact CD1-CD 3.75Å
105D84.8Confident80.3Confident103 Ų10389.5 Ų89.555%0.55147%0.467SS*.  trans-72.3152.5170.4-175.733.5000111K107 E108 L109D105-K107 PolarHBondContact O-N 2.93Å; D105-K107 VanDerWaalsContact O-N 3.1Å; D105-E108 PolarHBondContact O-N 3.35Å; D105-L109 PolarHBondContact O-N 3.17Å
106D83.5Confident80.8Confident131 Ų13190.8 Ų90.870%0.70147%0.472SS*.Hα-helixtrans-54.9-37.5-174.9-75.1-23.2000112.2A110D106-A110 WeakPolarHBondContact O-CB 3.39Å; D106-A110 PolarHBondContact O-N 2.84Å
107K77.3Confident81.4Confident161 Ų16190.8 Ų90.870%0.747%0.472SS*.Hα-helixtrans-68-39.3179.9-173.5175.9-178.2175.10112.4D105 R111D105-K107 PolarHBondContact O-N 2.93Å; D105-K107 VanDerWaalsContact O-N 3.1Å; K107-R111 PolarHBondContact O-N 3.05Å
108E78.7Confident81.9Confident93 Ų9389.6 Ų89.644%0.43546%0.463SS..Hα-helixtrans-73.8-39.9178.4-62.5-172.2160.900110.6D105 R111 K112D105-E108 PolarHBondContact O-N 3.35Å; E108-R111 WeakPolarHBondContact O-CB 3.43Å; E108-R111 PolarHBondContact O-N 2.98Å; E108-K112 PolarHBondContact O-N 3.05Å
109L83.8Confident82.2Confident65 Ų6585 Ų8534%0.3444%0.438SS..Hα-helixtrans-60.3-47175.2-173.863.9000111.6L101 D105 R111 K112 K113L101-L109 HydrophobicContact CB-CD1 4.17Å; D105-L109 PolarHBondContact O-N 3.17Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 2.67Å; L109-K112 PolarHBondContact O-N 3.47Å; L109-K113 WeakPolarHBondContact O-CB 3.44Å; L109-K113 PolarHBondContact O-N 2.78Å
110A83.1Confident82.6Confident64 Ų6487.8 Ų87.853%0.52945%0.449SS..Hα-helixtrans-59.6-38.1175.900000112.2D106 G114D106-A110 WeakPolarHBondContact O-CB 3.39Å; D106-A110 PolarHBondContact O-N 2.84Å; A110-G114 PolarHBondContact O-N 3.25Å
111R80.6Confident82.8Confident76 Ų7689.1 Ų89.129%0.28745%0.454SS..Hα-helixtrans-65-44.7176.4-170.2179.875.5174.72.4111.6S92 K107 E108 L109 G114 Q115S92-R111 VanDerWaalsContact C-NH2 3.28Å; S92-R111 PolarHBondContact O-NH2 2.93Å; S92-R111 PolarHBondContact OG-NH2 2.67Å; K107-R111 PolarHBondContact O-N 3.05Å; E108-R111 WeakPolarHBondContact O-CB 3.43Å; E108-R111 PolarHBondContact O-N 2.98Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 2.67Å; R111-G114 PolarHBondContact O-N 3.04Å; R111-Q115 WeakPolarHBondContact O-CG 3.47Å; R111-Q115 PolarHBondContact O-N 2.79Å; R111-Q115 VanDerWaalsContact O-N 3.12Å
112K82.8Confident83.1Confident10 Ų1095 Ų954%0.04347%0.471CS..Hα-helixtrans-66.6-41.1178-73-175.7-178.6167.80111.8L95 E99 L101 L104 E108 L109 G114 Q115 M116L95-K112 HydrophobicContact CD2-CB 3.9Å; L95-K112 HydrophobicContact CD2-CD 4.46Å; L95-K112 HydrophobicContact CD2-CG 3.97Å; E99-K112 IonicContact OE1-NZ 3.08Å; E99-K112 PolarHBondContact OE1-NZ 2.56Å; E99-K112 IonicContact OE2-NZ 3.45Å; E99-K112 PolarHBondContact OE2-NZ 2.91Å; L101-K112 HydrophobicContact CD2-CD 3.98Å; L104-K112 HydrophobicContact CD1-CD 3.75Å; E108-K112 PolarHBondContact O-N 3.05Å; L109-K112 PolarHBondContact O-N 3.47Å; K112-G114 VanDerWaalsContact C-N 3.35Å; K112-G114 PolarHBondContact O-N 3.04Å; K112-Q115 WeakPolarHBondContact O-CB 3.49Å; K112-Q115 PolarHBondContact O-N 3.4Å; K112-Q115 VanDerWaalsContact O-N 3.1Å; K112-M116 PolarHBondContact O-N 3.04Å
113K84.7Confident83.2Confident125 Ų12593 Ų9354%0.54346%0.461SS..Hα-helixtrans-55.9-48.6172.5-173.2178.1179.4179.50111.8L109 Q115 M116 D117L109-K113 WeakPolarHBondContact O-CB 3.44Å; L109-K113 PolarHBondContact O-N 2.78Å; K113-Q115 VanDerWaalsContact C-N 3.27Å; K113-Q115 PolarHBondContact O-N 2.95Å; K113-M116 HydrophobicContact CB-CE 4.45Å; K113-M116 WeakPolarHBondContact O-CB 3.48Å; K113-M116 PolarHBondContact O-N 3.01Å; K113-M116 VanDerWaalsContact O-N 3.1Å; K113-D117 PolarHBondContact O-N 3.06Å
114G82.8Confident83.3Confident34 Ų3490.8 Ų90.835%0.35145%0.448SS..Hα-helixtrans-59.6-36.7176.100000113.2A110 R111 K112 T118A110-G114 PolarHBondContact O-N 3.25Å; R111-G114 PolarHBondContact O-N 3.04Å; K112-G114 VanDerWaalsContact C-N 3.35Å; K112-G114 PolarHBondContact O-N 3.04Å; G114-T118 WeakPolarHBondContact O-CG2 3.39Å; G114-T118 PolarHBondContact O-N 2.98Å; G114-T118 VanDerWaalsContact O-N 3.09Å; G114-T118 PolarHBondContact O-OG1 3.29Å
115Q81.6Confident83.6Confident37 Ų3794.8 Ų94.817%0.17346%0.463CS..Hα-helixtrans-65.8-44.1174-67.6175.624.400111.8F93 L95 R111 K112 K113 D117 T118 L119F93-Q115 PolarHBondContact O-OE1 3.34Å; L95-Q115 HydrophobicContact CD1-CB 3.84Å; L95-Q115 HydrophobicContact CD2-CB 4.2Å; L95-Q115 HydrophobicContact CG-CB 4.22Å; R111-Q115 WeakPolarHBondContact O-CG 3.47Å; R111-Q115 PolarHBondContact O-N 2.79Å; R111-Q115 VanDerWaalsContact O-N 3.12Å; K112-Q115 WeakPolarHBondContact O-CB 3.49Å; K112-Q115 PolarHBondContact O-N 3.4Å; K112-Q115 VanDerWaalsContact O-N 3.1Å; K113-Q115 VanDerWaalsContact C-N 3.27Å; K113-Q115 PolarHBondContact O-N 2.95Å; Q115-D117 PolarHBondContact O-N 3.09Å; Q115-T118 PolarHBondContact O-N 2.9Å; Q115-T118 PolarHBondContact O-OG1 3.39Å; Q115-L119 PolarHBondContact O-N 3.01Å
116M82.3Confident83.6Confident85 Ų8596.8 Ų96.842%0.41946%0.463SS..Hα-helixtrans-59.8-44.9175.5-69.7-171.7-7200111.6L95 K112 K113 T118 L119 F120L95-M116 HydrophobicContact CD1-CG 3.87Å; L95-M116 HydrophobicContact CD2-CG 4.31Å; K112-M116 PolarHBondContact O-N 3.04Å; K113-M116 HydrophobicContact CB-CE 4.45Å; K113-M116 WeakPolarHBondContact O-CB 3.48Å; K113-M116 PolarHBondContact O-N 3.01Å; K113-M116 VanDerWaalsContact O-N 3.1Å; M116-T118 VanDerWaalsContact C-N 3.33Å; M116-T118 PolarHBondContact O-N 3.41Å; M116-L119 PolarHBondContact O-N 3.03Å; M116-F120 WeakPolarHBondContact O-CB 3.47Å; M116-F120 PolarHBondContact O-N 3.41Å
117D86Confident83.6Confident85 Ų8597.3 Ų97.346%0.45546%0.459SS..Hα-helixtrans-60.2-42.6177.7-68.4-22.2000111.4K113 Q115 L119 F120 E121K113-D117 PolarHBondContact O-N 3.06Å; Q115-D117 PolarHBondContact O-N 3.09Å; D117-L119 PolarHBondContact O-N 3.48Å; D117-F120 PolarHBondContact O-N 3.04Å; D117-E121 PolarHBondContact O-N 3.21Å
118T84.8Confident83.9Confident96 Ų9696.8 Ų96.859%0.58946%0.464SS*.Hα-helixtrans-66.1-36.8177.159.90000113.3G114 Q115 M116 R122G114-T118 WeakPolarHBondContact O-CG2 3.39Å; G114-T118 PolarHBondContact O-N 2.98Å; G114-T118 VanDerWaalsContact O-N 3.09Å; G114-T118 PolarHBondContact O-OG1 3.29Å; Q115-T118 PolarHBondContact O-N 2.9Å; Q115-T118 PolarHBondContact O-OG1 3.39Å; M116-T118 VanDerWaalsContact C-N 3.33Å; M116-T118 PolarHBondContact O-N 3.41Å; T118-R122 WeakPolarHBondContact O-CB 3.49Å; T118-R122 PolarHBondContact O-N 3.49Å
119L85.1Confident84.2Confident69 Ų6995.8 Ų95.836%0.36146%0.462SS..Hα-helixtrans-69.8-40.9175.7-73.5175.3000111.3L95 Q115 M116 D117 R122 N123L95-L119 HydrophobicContact CD1-CD1 3.61Å; Q115-L119 PolarHBondContact O-N 3.01Å; M116-L119 PolarHBondContact O-N 3.03Å; D117-L119 PolarHBondContact O-N 3.48Å; L119-R122 PolarHBondContact O-N 3.46Å; L119-N123 WeakPolarHBondContact O-CB 3.45Å; L119-N123 VanDerWaalsContact O-CG 3.32Å; L119-N123 PolarHBondContact O-N 3.1Å; L119-N123 VanDerWaalsContact O-N 3.08Å; L119-N123 PolarHBondContact O-ND2 3.39Å
120F86.8Confident84.2Confident125 Ų12598.5 Ų98.555%0.54848%0.484SS..Hα-helixtrans-59.8-54.1176.5175.5-98.5000110.8M116 D117 R122 N123 R124M116-F120 WeakPolarHBondContact O-CB 3.47Å; M116-F120 PolarHBondContact O-N 3.41Å; D117-F120 PolarHBondContact O-N 3.04Å; F120-R122 PolarHBondContact O-N 3.21Å; F120-N123 CarbonylContact O-C 3.53Å; F120-N123 PolarHBondContact O-N 3.28Å; F120-R124 WeakPolarHBondContact O-CB 3.43Å; F120-R124 PolarHBondContact O-N 3.17Å
121E86.7Confident84.2Confident96 Ų96101 Ų10145%0.44949%0.488SS..Hα-helixtrans-62.9-30.7-179-73-62.5151.300112.6D117 R124D117-E121 PolarHBondContact O-N 3.21Å; E121-R124 IonicContact OE1-NH1 3.34Å; E121-R124 PolarHBondContact OE1-NH1 2.91Å; E121-R124 VanDerWaalsContact OE1-NH1 3.08Å; E121-R124 WeakPolarHBondContact OE2-CD 3.35Å; E121-R124 IonicContact OE2-NH1 3.88Å; E121-R124 PolarHBondContact OE2-NH1 2.84Å
122R84.9Confident84.3Confident186 Ų186100.2 Ų100.270%0.70249%0.487SS*.Hα-helixtrans-68.6-37.5173.9-170.3-177.871.41770.4112.7T118 L119 F120T118-R122 WeakPolarHBondContact O-CB 3.49Å; T118-R122 PolarHBondContact O-N 3.49Å; L119-R122 PolarHBondContact O-N 3.46Å; F120-R122 PolarHBondContact O-N 3.21Å
123N85.1Confident84.5Confident110 Ų110103.9 Ų103.959%0.58851%0.51SS*.Hα-helixtrans-92-6.2-177.1-64.2-16000112.7L119 F120 K125L119-N123 WeakPolarHBondContact O-CB 3.45Å; L119-N123 VanDerWaalsContact O-CG 3.32Å; L119-N123 PolarHBondContact O-N 3.1Å; L119-N123 VanDerWaalsContact O-N 3.08Å; L119-N123 PolarHBondContact O-ND2 3.39Å; F120-N123 CarbonylContact O-C 3.53Å; F120-N123 PolarHBondContact O-N 3.28Å; N123-K125 PolarHBondContact O-N 3.47Å; N123-K125 VanDerWaalsContact O-N 3.16Å
124R85Confident84.3Confident120 Ų120104.7 Ų104.745%0.45351%0.51SS..  trans-68.6109.6-178.2-179.2-179177.4178.62.3110.3F120 E121F120-R124 WeakPolarHBondContact O-CB 3.43Å; F120-R124 PolarHBondContact O-N 3.17Å; E121-R124 IonicContact OE1-NH1 3.34Å; E121-R124 PolarHBondContact OE1-NH1 2.91Å; E121-R124 VanDerWaalsContact OE1-NH1 3.08Å; E121-R124 WeakPolarHBondContact OE2-CD 3.35Å; E121-R124 IonicContact OE2-NH1 3.88Å; E121-R124 PolarHBondContact OE2-NH1 2.84Å
125K84.6Confident84.3Confident119 Ų119110 Ų11052%0.51753%0.531SS..  trans-75.6125.7169.3-63.8-173171.2-165.70110.2N123 D131 F132N123-K125 PolarHBondContact O-N 3.47Å; N123-K125 VanDerWaalsContact O-N 3.16Å; K125-D131 PolarHBondContact NZ-O 3.2Å; K125-D131 VanDerWaalsContact NZ-O 3.08Å; K125-F132 HydrophobicContact CB-CD2 4.26Å
126R85.1Confident84.4Confident146 Ų146113.6 Ų113.655%0.55155%0.55SS**  trans-91.2157.8174.5-66.7-172.8165.8-156.7-3.3110.2D128 D129 F132R126-D128 PolarHBondContact O-N 3.25Å; R126-D128 VanDerWaalsContact O-N 3.13Å; R126-D129 PolarHBondContact N-OD2 2.94Å; R126-D129 WeakPolarHBondContact O-CB 3.28Å; R126-D129 PolarHBondContact O-N 3.1Å; R126-F132 VanDerWaalsContact O-CB 3.29Å; R126-F132 WeakPolarHBondContact O-CB 3.37Å; R126-F132 WeakPolarHBondContact O-CD2 3.39Å; R126-F132 WeakPolarHBondContact O-CG 3.46Å
127K83.4Confident84.4Confident141 Ų141118.3 Ų118.361%0.61357%0.571SS**THydrogen-bonded Turntrans-57.8-26.2175.8-72.5-174171.5-166.20113.4F132 Y134K127-F132 HydrophobicContact CG-CE1 4.02Å; K127-F132 HydrophobicContact CG-CE2 4.19Å; K127-F132 HydrophobicContact CG-CZ 3.81Å; K127-Y134 WeakPolarHBondContact CD-OH 3.38Å
128D83.9Confident84.1Confident151 Ų151118.2 Ų118.281%0.80757%0.574SS**THydrogen-bonded Turntrans-88.1-4.1-179.3-50.5-45.3000113R126R126-D128 PolarHBondContact O-N 3.25Å; R126-D128 VanDerWaalsContact O-N 3.13Å
129D85.1Confident83.9Confident71 Ų71123 Ų12338%0.3859%0.59SS.*SBendtrans-75.8139.6177-77-48.4000110.9R126 D131 F132R126-D129 PolarHBondContact N-OD2 2.94Å; R126-D129 WeakPolarHBondContact O-CB 3.28Å; R126-D129 PolarHBondContact O-N 3.1Å; D129-D131 PolarHBondContact O-N 3.39Å; D129-D131 VanDerWaalsContact O-N 3.15Å; D129-F132 HydrophobicContact CB-CB 4.48Å; D129-F132 WeakPolarHBondContact O-CB 3.39Å; D129-F132 PolarHBondContact O-N 3.07Å
130P84.1Confident83.5Confident123 Ų123128.1 Ų128.180%0.79961%0.609SS**THydrogen-bonded Turntrans-62-24.6179.925.5-34.3000113.2F132P130-F132 VanDerWaalsContact C-N 3.34Å
131D81.9Confident83Confident115 Ų115127.2 Ų127.262%0.61561%0.61SS**THydrogen-bonded Turntrans-93.712.4179.3-59.5-32.8000113.2K125 D129K125-D131 PolarHBondContact NZ-O 3.2Å; K125-D131 VanDerWaalsContact NZ-O 3.08Å; D129-D131 PolarHBondContact O-N 3.39Å; D129-D131 VanDerWaalsContact O-N 3.15Å
132F84.6Confident82Confident60 Ų60130.8 Ų130.826%0.26362%0.624SS.*  trans-80.1121.8176.4-174.1-91.1000110.3K125 R126 K127 D129 P130 Y134K125-F132 HydrophobicContact CB-CD2 4.26Å; R126-F132 VanDerWaalsContact O-CB 3.29Å; R126-F132 WeakPolarHBondContact O-CB 3.37Å; R126-F132 WeakPolarHBondContact O-CD2 3.39Å; R126-F132 WeakPolarHBondContact O-CG 3.46Å; K127-F132 HydrophobicContact CG-CE1 4.02Å; K127-F132 HydrophobicContact CG-CE2 4.19Å; K127-F132 HydrophobicContact CG-CZ 3.81Å; D129-F132 HydrophobicContact CB-CB 4.48Å; D129-F132 WeakPolarHBondContact O-CB 3.39Å; D129-F132 PolarHBondContact O-N 3.07Å; P130-F132 VanDerWaalsContact C-N 3.34Å; F132-Y134 HydrophobicContact CD1-CD2 4.13Å; F132-Y134 HydrophobicContact CD1-CE2 4.04Å; F132-Y134 HydrophobicContact CE1-CD1 4.02Å; F132-Y134 AromaticContact CE1-CD2 3.69Å; F132-Y134 HydrophobicContact CE1-CD2 3.69Å; F132-Y134 AromaticContact CE1-CE1 3.91Å; F132-Y134 HydrophobicContact CE1-CE1 3.91Å; F132-Y134 AromaticContact CE1-CE2 3.58Å; F132-Y134 HydrophobicContact CE1-CE2 3.58Å; F132-Y134 AromaticContact CE1-CG 3.91Å; F132-Y134 HydrophobicContact CE1-CG 3.91Å; F132-Y134 AromaticContact CE1-CZ 3.68Å; F132-Y134 HydrophobicContact CZ-CE1 4.42Å
133V86.1Confident81Confident87 Ų87126.6 Ų126.653%0.52762%0.623SS.*  trans-117.9124177.9-179.80000107.2L136V133-L136 HydrophobicContact CB-CB 4.47Å; V133-L136 HydrophobicContact CB-CD1 4.32Å; V133-L136 HydrophobicContact CG1-CD1 4.28Å
134Y81.1Confident79.8Confident143 Ų143129.6 Ų129.656%0.56163%0.631SS**THydrogen-bonded Turntrans-67.2139.9170.5-80.9-86.2000109.4K127 F132 L136K127-Y134 WeakPolarHBondContact CD-OH 3.38Å; F132-Y134 HydrophobicContact CD1-CD2 4.13Å; F132-Y134 HydrophobicContact CD1-CE2 4.04Å; F132-Y134 HydrophobicContact CE1-CD1 4.02Å; F132-Y134 AromaticContact CE1-CD2 3.69Å; F132-Y134 HydrophobicContact CE1-CD2 3.69Å; F132-Y134 AromaticContact CE1-CE1 3.91Å; F132-Y134 HydrophobicContact CE1-CE1 3.91Å; F132-Y134 AromaticContact CE1-CE2 3.58Å; F132-Y134 HydrophobicContact CE1-CE2 3.58Å; F132-Y134 AromaticContact CE1-CG 3.91Å; F132-Y134 HydrophobicContact CE1-CG 3.91Å; F132-Y134 AromaticContact CE1-CZ 3.68Å; F132-Y134 HydrophobicContact CZ-CE1 4.42Å; Y134-L136 VanDerWaalsContact C-N 3.3Å; Y134-L136 PolarHBondContact O-N 2.95Å
135D83.1Confident78.6Confident146 Ų146129.4 Ų129.478%0.78164%0.635SS**THydrogen-bonded Turntrans51.647.9176.6-51.5-33.8000112.8E137D135-E137 PolarHBondContact O-N 3.3Å
136L82.1Confident77.7Confident111 Ų111131.7 Ų131.758%0.58165%0.648SS**  trans-61.898.4175.3-177.471.3000109.8V133 Y134 V138V133-L136 HydrophobicContact CB-CB 4.47Å; V133-L136 HydrophobicContact CB-CD1 4.32Å; V133-L136 HydrophobicContact CG1-CD1 4.28Å; Y134-L136 VanDerWaalsContact C-N 3.3Å; Y134-L136 PolarHBondContact O-N 2.95Å; L136-V138 HydrophobicContact CD2-CG2 4.04Å; L136-V138 HydrophobicContact CG-CG2 3.96Å; L136-V138 PolarHBondContact O-N 2.79Å
137E82.3Confident76.8Confident184 Ų184135 Ų13586%0.8667%0.666SS**  trans-72.5118.9171-67.7179.318000109D135D135-E137 PolarHBondContact O-N 3.3Å
138V81Confident75.6Confident84 Ų84131.7 Ų131.751%0.50966%0.66SS.*  trans-114.1117175.5-177.90000107.6L136 F140L136-V138 HydrophobicContact CD2-CG2 4.04Å; L136-V138 HydrophobicContact CG-CG2 3.96Å; L136-V138 PolarHBondContact O-N 2.79Å; V138-F140 WeakPolarHBondContact O-CD2 3.41Å; V138-F140 PolarHBondContact O-N 3.15Å
139E80.5Confident74.4Confident197 Ų197129 Ų12992%0.92165%0.653SS**  trans-73.8110.6171.2-68.3-176.1176.400109
140F76.6Confident73.6Confident176 Ų176137 Ų13777%0.77268%0.678SS**  trans-74.8129.3171.8-61.7-82.8000109.2V138 K142V138-F140 WeakPolarHBondContact O-CD2 3.41Å; V138-F140 PolarHBondContact O-N 3.15Å; F140-K142 PolarHBondContact O-N 3.24Å
141D76.6Confident72.5Confident106 Ų106136.1 Ų136.157%0.56767%0.666SS**  trans-62.6104.3177.9-170-11.5000109.9S143 K144D141-S143 PolarHBondContact O-N 3.07Å; D141-S143 WeakPolarHBondContact OD1-CB 3.2Å; D141-S143 PolarHBondContact OD1-N 3.31Å; D141-S143 PolarHBondContact OD1-OG 3.03Å; D141-S143 PolarHBondContact OD2-OG 2.9Å; D141-K144 PolarHBondContact O-N 3.08Å
142K64.3Low71.4Confident171 Ų171138.2 Ų138.274%0.74367%0.673SS**G310 helixtrans-59.6-17.3-176.9-64.1-176.2-180-177.20113F140 K144 Q145F140-K142 PolarHBondContact O-N 3.24Å; K142-K144 PolarHBondContact O-N 2.97Å; K142-Q145 WeakPolarHBondContact O-CB 3.49Å; K142-Q145 PolarHBondContact O-N 2.66Å
143S64.2Low70.2Confident97 Ų97144.3 Ų144.368%0.67870%0.702SS**G310 helixtrans-67-19.5176.1670000113.8D141D141-S143 PolarHBondContact O-N 3.07Å; D141-S143 WeakPolarHBondContact OD1-CB 3.2Å; D141-S143 PolarHBondContact OD1-N 3.31Å; D141-S143 PolarHBondContact OD1-OG 3.03Å; D141-S143 PolarHBondContact OD2-OG 2.9Å
144K59.3Low68.9Low174 Ų174145.6 Ų145.676%0.75772%0.715SS**G310 helixtrans-100.63.8176.1-66.6-179.3-178.5175.20113.6D141 K142 E146D141-K144 PolarHBondContact O-N 3.08Å; K142-K144 PolarHBondContact O-N 2.97Å; K144-E146 PolarHBondContact O-N 3.25Å; K144-E146 VanDerWaalsContact O-N 3.15Å
145Q61Low67.7Low116 Ų116145.5 Ų145.554%0.54272%0.724SS.*  trans-71.6110.2178-168.6172.3-9.700108.3K142 K147 D151K142-Q145 WeakPolarHBondContact O-CB 3.49Å; K142-Q145 PolarHBondContact O-N 2.66Å; Q145-K147 PolarHBondContact O-N 3.38Å; Q145-D151 PolarHBondContact NE2-OD2 3.12Å; Q145-D151 VanDerWaalsContact NE2-OD2 3.08Å
146E65.9Low66.3Low167 Ų167146.9 Ų146.978%0.7873%0.725SS**  trans-61.6137.8169-65.1-156159.600108.7K144 C148K144-E146 PolarHBondContact O-N 3.25Å; K144-E146 VanDerWaalsContact O-N 3.15Å; E146-C148 PolarHBondContact O-N 3.25Å
147K64.8Low65.1Low216 Ų216144.8 Ų144.894%0.93973%0.731SS**  trans-68.288175-69.3-172.7-177.5-172.60108.5Q145Q145-K147 PolarHBondContact O-N 3.38Å
148C58.5Low63.3Low70 Ų70149.5 Ų149.547%0.47375%0.749SS.*  trans-72.4126.6169.6-97.30000108.6E146 W150 D151E146-C148 PolarHBondContact O-N 3.25Å; C148-W150 PolarHBondContact O-N 3.24Å; C148-D151 PolarHBondContact O-N 3.49Å
149S59.6Low62.5Low94 Ų94152.8 Ų152.866%0.65776%0.761SS**THydrogen-bonded Turntrans-57.2-11.8173.7156.50000113.8
150W68.6Low61.5Low241 Ų241150.4 Ų150.491%0.91375%0.752SS**THydrogen-bonded Turntrans-83.6-18.9175.9-72.382.9000113.7C148 E152C148-W150 PolarHBondContact O-N 3.24Å; W150-E152 VanDerWaalsContact C-N 3.31Å
151D59.7Low60.7Low104 Ų104149 Ų14956%0.55675%0.751SS**SBendtrans-89.34.7177-75.3-13.4000112.2Q145 C148 E153Q145-D151 PolarHBondContact NE2-OD2 3.12Å; Q145-D151 VanDerWaalsContact NE2-OD2 3.08Å; C148-D151 PolarHBondContact O-N 3.49Å; D151-E153 VanDerWaalsContact C-N 3.34Å; D151-E153 PolarHBondContact O-N 3.38Å
152E60.5Low59.7Low159 Ų159151.5 Ų151.574%0.74376%0.762SS**  trans-72.493.8169.2-69.9-173179.300108.4W150 S154W150-E152 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 2.73Å
153E59Low59.5Low188 Ų188150.3 Ų150.388%0.87976%0.763SS**  trans-47.6103163.1-96.2174.9163.500108.8D151 D155D151-E153 VanDerWaalsContact C-N 3.34Å; D151-E153 PolarHBondContact O-N 3.38Å; E153-D155 PolarHBondContact O-N 2.96Å
154S57.6Low59.1Low114 Ų114153.9 Ų153.980%0.79777%0.769SS**  trans-71.777.4161.1-169.70000107.3E152 E156E152-S154 PolarHBondContact O-N 2.73Å; S154-E156 VanDerWaalsContact C-N 3.28Å; S154-E156 PolarHBondContact O-N 3.49Å
155D57.1Low59.1Low141 Ų141152.4 Ų152.475%0.75477%0.77SS**  trans-9165.5167-165.229.6000108.7E153 G157E153-D155 PolarHBondContact O-N 2.96Å; D155-G157 PolarHBondContact O-N 3.48Å
156E54.2Low59Low174 Ų174155.2 Ų155.281%0.81379%0.787SS**  trans-87.993.7157.8-75.5-168.9178.300107.1S154 F158S154-E156 VanDerWaalsContact C-N 3.28Å; S154-E156 PolarHBondContact O-N 3.49Å; E156-F158 PolarHBondContact O-N 2.9Å
157G55.3Low58.4Low67 Ų67154.3 Ų154.369%0.69179%0.788SS**  trans-50.1134.6178.500000113D155D155-G157 PolarHBondContact O-N 3.48Å
158F46.1Very low57.8Low283 Ų283148.6 Ų148.6100%1.24177%0.774SS**  trans-81.10173.1-125-87.7000112E156E156-F158 PolarHBondContact O-N 2.9Å

Retrieved 158 of 158 residues in 171.4 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).