A0A087Y388_POEFO Loading...

Synaptosomal-associated protein 47

AlphaFold DB , UniProt , Accession A0A087Y388, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 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
1M31.2Very low73.4Confident241 Ų24177.5 Ų77.5100%1.18741%0.406SS*.  0950-62.9-177.2101.900108.2R3M1-R3 PolarHBondContact O-N 3.3Å
2S37Very low75Confident68 Ų6871.8 Ų71.848%0.47638%0.379SS..  trans-66.1128.1-174.6176.90000111.2
3R52.8Low76.4Confident218 Ų21867.2 Ų67.282%0.82336%0.357SS*.  trans-9689.7175.3-79.1-178.1164.1-167.9-4108.6M1 A5M1-R3 PolarHBondContact O-N 3.3Å; R3-A5 PolarHBondContact O-N 2.93Å
4D65.1Low77.6Confident42 Ų4264.2 Ų64.223%0.22534%0.338CS..PPolyproline II helixtrans-56.9133.3162.6-70.6-33.9000108.9T30D4-T30 HydrophobicContact CB-CG2 4.22Å
5A79.4Confident78.5Confident22 Ų2263.5 Ų63.518%0.18233%0.33CS..PPolyproline II helixtrans-61.5131.6176.700000109.8R3 I7 F315 T318R3-A5 PolarHBondContact O-N 2.93Å; A5-I7 PolarHBondContact O-N 3.33Å; A5-F315 HydrophobicContact CB-CD2 3.54Å; A5-F315 HydrophobicContact CB-CE2 3.63Å; A5-F315 HydrophobicContact CB-CG 4.35Å; A5-F315 HydrophobicContact CB-CZ 4.49Å; A5-F315 WeakPolarHBondContact O-CE2 3.46Å; A5-T318 HydrophobicContact CB-CG2 4.38Å
6P85.1Confident79.3Confident68 Ų6860.6 Ų60.644%0.44232%0.315SS..PPolyproline II helixtrans-67.5134178.528.3-33.4000109.9T9 L29P6-T9 HydrophobicContact CB-CG2 3.84Å; P6-T9 HydrophobicContact CG-CG2 4.04Å; P6-L29 CarbonylContact C-O 3.47Å; P6-L29 WeakPolarHBondContact CA-O 3.25Å
7I87.1Confident79.7Confident12 Ų1264.1 Ų64.16%0.06233%0.334CS..SBendtrans-71.6-42.6172.5-59.5176.3000109.2A5 L29 R31 F97 Y268 L287 F315A5-I7 PolarHBondContact O-N 3.33Å; I7-L29 PolarHBondContact N-O 3.33Å; I7-R31 HydrophobicContact CD1-CB 4.39Å; I7-F97 HydrophobicContact CD1-CD1 4.29Å; I7-F97 HydrophobicContact CD1-CE1 3.61Å; I7-F97 HydrophobicContact CD1-CZ 4.24Å; I7-F97 HydrophobicContact CG2-CE1 4.37Å; I7-F97 HydrophobicContact CG2-CZ 3.92Å; I7-Y268 HydrophobicContact CB-CD2 4.46Å; I7-Y268 HydrophobicContact CD1-CD2 3.46Å; I7-Y268 VanDerWaalsContact CD1-CD2 3.46Å; I7-Y268 HydrophobicContact CD1-CE2 3.54Å; I7-Y268 HydrophobicContact CD1-CG 4.08Å; I7-Y268 HydrophobicContact CG1-CD2 3.66Å; I7-Y268 HydrophobicContact CG1-CE2 3.9Å; I7-Y268 HydrophobicContact CG2-CD2 4.01Å; I7-Y268 HydrophobicContact CG2-CG 4.3Å; I7-L287 HydrophobicContact CG2-CD1 4.22Å; I7-F315 HydrophobicContact CG1-CE2 4.44Å; I7-F315 HydrophobicContact CG1-CZ 4.45Å
8H89Confident80.1Confident40 Ų4066.6 Ų66.619%0.18536%0.357CS..EExtended strand (participates in β ladder)trans-149.6147.4177.6-151.8-54.3000110.3W10 L29H8-W10 HydrophobicContact CB-CH2 3.73Å; H8-W10 HydrophobicContact CB-CZ2 3.64Å; H8-W10 HydrophobicContact CB-CZ3 4.35Å; H8-W10 AromaticContact CD2-CZ2 3.96Å; H8-W10 AromaticContact CE1-CD1 3.84Å; H8-W10 AromaticContact CE1-CE2 3.74Å; H8-W10 AromaticContact CE1-NE1 3.22Å; H8-W10 PolarHBondContact CE1-NE1 3.03Å; H8-W10 AromaticContact CG-CE2 3.69Å; H8-W10 AromaticContact CG-CZ2 3.43Å; H8-W10 VanDerWaalsContact CG-CZ2 3.43Å; H8-W10 AromaticContact CG-NE1 3.98Å; H8-W10 AromaticContact ND1-CD1 3.85Å; H8-W10 AromaticContact ND1-CD2 3.9Å; H8-W10 AromaticContact ND1-CE2 3.29Å; H8-W10 VanDerWaalsContact ND1-CE2 3.29Å; H8-W10 AromaticContact ND1-CZ2 3.58Å; H8-W10 AromaticContact ND1-NE1 3.25Å; H8-W10 PolarHBondContact ND1-NE1 2.8Å; H8-W10 AromaticContact NE2-NE1 3.89Å; H8-L29 PolarHBondContact N-O 3.49Å; H8-L29 PolarHBondContact O-N 3.13Å
9T92Very high80.6Confident70 Ų7068.1 Ų68.143%0.42936%0.362SS..EExtended strand (participates in β ladder)trans-126.7143174.256.10000111P6 T26 L27P6-T9 HydrophobicContact CB-CG2 3.84Å; P6-T9 HydrophobicContact CG-CG2 4.04Å; T9-T26 HydrophobicContact CG2-CG2 4.3Å; T9-L27 CarbonylContact C-O 3.53Å; T9-L27 VanDerWaalsContact CA-O 3.25Å; T9-L27 WeakPolarHBondContact CA-O 3.33Å
10W94.1Very high80.9Confident4 Ų472.9 Ų72.92%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-133.9132.6176.5-56.3-80.5000110.3H8 L27 L29 K84 V90 V93 L94H8-W10 HydrophobicContact CB-CH2 3.73Å; H8-W10 HydrophobicContact CB-CZ2 3.64Å; H8-W10 HydrophobicContact CB-CZ3 4.35Å; H8-W10 AromaticContact CD2-CZ2 3.96Å; H8-W10 AromaticContact CE1-CD1 3.84Å; H8-W10 AromaticContact CE1-CE2 3.74Å; H8-W10 AromaticContact CE1-NE1 3.22Å; H8-W10 PolarHBondContact CE1-NE1 3.03Å; H8-W10 AromaticContact CG-CE2 3.69Å; H8-W10 AromaticContact CG-CZ2 3.43Å; H8-W10 VanDerWaalsContact CG-CZ2 3.43Å; H8-W10 AromaticContact CG-NE1 3.98Å; H8-W10 AromaticContact ND1-CD1 3.85Å; H8-W10 AromaticContact ND1-CD2 3.9Å; H8-W10 AromaticContact ND1-CE2 3.29Å; H8-W10 VanDerWaalsContact ND1-CE2 3.29Å; H8-W10 AromaticContact ND1-CZ2 3.58Å; H8-W10 AromaticContact ND1-NE1 3.25Å; H8-W10 PolarHBondContact ND1-NE1 2.8Å; H8-W10 AromaticContact NE2-NE1 3.89Å; W10-L27 HydrophobicContact CE3-CB 4.46Å; W10-L27 HydrophobicContact CE3-CD2 4.15Å; W10-L27 HydrophobicContact CE3-CG 4.25Å; W10-L27 PolarHBondContact N-O 3.49Å; W10-L27 PolarHBondContact O-N 3.22Å; W10-L29 HydrophobicContact CH2-CB 3.96Å; W10-L29 HydrophobicContact CH2-CD2 4.01Å; W10-L29 HydrophobicContact CZ3-CB 3.73Å; W10-K84 VanDerWaalsContact CD1-O 3.28Å; W10-V90 HydrophobicContact CB-CG2 4.1Å; W10-V90 HydrophobicContact CD2-CG1 4.06Å; W10-V90 HydrophobicContact CD2-CG2 3.95Å; W10-V90 HydrophobicContact CE3-CG1 4.04Å; W10-V90 HydrophobicContact CG-CG1 4.46Å; W10-V90 HydrophobicContact CG-CG2 3.62Å; W10-V90 HydrophobicContact CZ3-CG1 4.41Å; W10-V93 HydrophobicContact CH2-CB 4.03Å; W10-V93 HydrophobicContact CH2-CG1 3.64Å; W10-V93 HydrophobicContact CZ2-CB 3.8Å; W10-V93 HydrophobicContact CZ2-CG1 3.67Å; W10-V93 HydrophobicContact CZ2-CG2 4.16Å; W10-L94 HydrophobicContact CH2-CD2 4.37Å; W10-L94 HydrophobicContact CH2-CG 4.49Å; W10-L94 HydrophobicContact CZ3-CD2 4.06Å; W10-L94 HydrophobicContact CZ3-CG 4.34Å
11P94.1Very high81.4Confident68 Ų6874.9 Ų74.944%0.44238%0.382SS..EExtended strand (participates in β ladder)trans-74.2144.4169.931-30.6000109.9K84P11-K84 HydrophobicContact CG-CB 3.92Å; P11-K84 HydrophobicContact CG-CD 4.15Å; P11-K84 HydrophobicContact CG-CG 4.26Å; P11-K84 PolarHBondContact O-N 3.05Å
12G92.9Very high84.2Confident8 Ų868.2 Ų68.28%0.08234%0.344CS..EExtended strand (participates in β ladder)trans-174.9-161.1178.500000112.4S24 G25G12-S24 WeakPolarHBondContact O-CA 3.4Å; G12-G25 PolarHBondContact N-O 3.05Å; G12-G25 PolarHBondContact O-N 3.29Å; G12-G25 VanDerWaalsContact O-O 3.06Å
13S92.8Very high86.9Confident13 Ų1365.4 Ų65.49%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-128.4145.9177.3-59.90000110.5E23 F80 G81S13-E23 CarbonylContact C-O 3.52Å; S13-E23 VanDerWaalsContact CA-O 3.24Å; S13-E23 WeakPolarHBondContact CA-O 3.45Å; S13-F80 CarbonylContact O-C 3.52Å; S13-F80 WeakPolarHBondContact O-CA 3.44Å; S13-G81 PolarHBondContact N-O 3.2Å; S13-G81 PolarHBondContact O-N 3.33Å
14Y93.4Very high88.8Confident25 Ų2557.9 Ų57.910%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-116.7137.6174.6178.4-104.9000110I16 W22 E23 F36 L45 A46 H78 W79 F80Y14-I16 HydrophobicContact CD1-CG1 4.03Å; Y14-I16 HydrophobicContact CE1-CG1 4.32Å; Y14-W22 WeakPolarHBondContact O-CA 3.27Å; Y14-E23 PolarHBondContact N-O 3.4Å; Y14-E23 PolarHBondContact O-N 3.44Å; Y14-F36 VanDerWaalsContact CB-CD1 3.42Å; Y14-F36 HydrophobicContact CG-CD1 4.13Å; Y14-F36 HydrophobicContact CG-CE1 4.46Å; Y14-F36 HydrophobicContact CG-CG 4.37Å; Y14-L45 HydrophobicContact CD1-CB 3.72Å; Y14-L45 HydrophobicContact CD1-CD1 4.17Å; Y14-L45 HydrophobicContact CE1-CB 4.04Å; Y14-A46 HydrophobicContact CD2-CB 4.31Å; Y14-A46 HydrophobicContact CE1-CB 4.35Å; Y14-A46 HydrophobicContact CE2-CB 3.73Å; Y14-H78 HydrophobicContact CE2-CB 4.01Å; Y14-H78 AromaticContact CE2-ND1 3.79Å; Y14-H78 AromaticContact CZ-ND1 3.77Å; Y14-H78 PolarHBondContact OH-ND1 3.44Å; Y14-W79 WeakPolarHBondContact CD2-O 3.47Å; Y14-F80 AromaticContact CD2-CD1 3.79Å; Y14-F80 HydrophobicContact CD2-CD1 3.79Å; Y14-F80 AromaticContact CD2-CE1 3.46Å; Y14-F80 HydrophobicContact CD2-CE1 3.46Å; Y14-F80 VanDerWaalsContact CD2-CE1 3.46Å; Y14-F80 HydrophobicContact CD2-CZ 4.05Å; Y14-F80 AromaticContact CE2-CE1 4Å; Y14-F80 HydrophobicContact CE2-CE1 4Å; Y14-F80 HydrophobicContact CE2-CZ 4.12Å; Y14-F80 HydrophobicContact CG-CE1 4.47Å
15Y91.9Very high90.2Very high53 Ų5356.2 Ų56.221%0.20830%0.297CS..EExtended strand (participates in β ladder)trans-88.4119177.2-174.5-109.4000110.5N17 K20 W22 W79Y15-N17 HydrophobicContact CE1-CB 4.43Å; Y15-N17 PolarHBondContact O-N 3.15Å; Y15-K20 WeakPolarHBondContact OH-CA 3.48Å; Y15-W22 HydrophobicContact CD2-CD2 4.02Å; Y15-W22 AromaticContact CD2-CE2 3.77Å; Y15-W22 HydrophobicContact CD2-CG 4.19Å; Y15-W22 HydrophobicContact CD2-CZ2 4.24Å; Y15-W22 AromaticContact CD2-NE1 3.75Å; Y15-W22 HydrophobicContact CG-CZ2 4.4Å; Y15-W79 PolarHBondContact N-O 3.35Å
16I90.5Very high91Very high17 Ų1758 Ų589%0.08731%0.306CS..EExtended strand (participates in β ladder)trans-90.1107.5176-56.6174.6000108Y14 S18 E19 K20 R21 E23 L45Y14-I16 HydrophobicContact CD1-CG1 4.03Å; Y14-I16 HydrophobicContact CE1-CG1 4.32Å; I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 VanDerWaalsContact CG2-OG 3.25Å; I16-S18 WeakPolarHBondContact CG2-OG 3.49Å; I16-S18 PolarHBondContact O-N 3.04Å; I16-E19 WeakPolarHBondContact CD1-OE2 3.39Å; I16-E19 HydrophobicContact CG2-CB 4.16Å; I16-E19 HydrophobicContact CG2-CG 4.17Å; I16-E19 WeakPolarHBondContact CG2-OE2 3.46Å; I16-E19 PolarHBondContact O-N 3.14Å; I16-K20 WeakPolarHBondContact O-CA 3.41Å; I16-K20 PolarHBondContact O-N 3.07Å; I16-R21 PolarHBondContact N-O 3.41Å; I16-R21 PolarHBondContact O-N 2.96Å; I16-E23 HydrophobicContact CD1-CB 3.91Å; I16-E23 WeakPolarHBondContact CD1-OE2 3.47Å; I16-E23 HydrophobicContact CG1-CB 4.47Å; I16-L45 HydrophobicContact CD1-CD1 4.02Å; I16-L45 HydrophobicContact CD1-CD2 4Å; I16-L45 HydrophobicContact CG1-CD1 4.37Å
17N86.6Confident91.5Very high121 Ų12154.8 Ų54.865%0.64729%0.285SS*.THydrogen-bonded Turntrans-66.4-33.5-174.6-169.549.9000113.4Y15 E19Y15-N17 HydrophobicContact CE1-CB 4.43Å; Y15-N17 PolarHBondContact O-N 3.15Å; N17-E19 VanDerWaalsContact C-N 3.32Å; N17-E19 PolarHBondContact O-N 3.03Å
18S87Confident91.8Very high108 Ų10854.9 Ų54.976%0.75529%0.286SS*.THydrogen-bonded Turntrans-64.1-36.3178.647.80000112.8I16I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 VanDerWaalsContact CG2-OG 3.25Å; I16-S18 WeakPolarHBondContact CG2-OG 3.49Å; I16-S18 PolarHBondContact O-N 3.04Å
19E88.4Confident92Very high95 Ų9553 Ų5344%0.44428%0.278SS..THydrogen-bonded Turntrans-105.2-4-175.9-61.7172.3135.600112.8I16 N17 R21I16-E19 WeakPolarHBondContact CD1-OE2 3.39Å; I16-E19 HydrophobicContact CG2-CB 4.16Å; I16-E19 HydrophobicContact CG2-CG 4.17Å; I16-E19 WeakPolarHBondContact CG2-OE2 3.46Å; I16-E19 PolarHBondContact O-N 3.14Å; N17-E19 VanDerWaalsContact C-N 3.32Å; N17-E19 PolarHBondContact O-N 3.03Å; E19-R21 HydrophobicContact CB-CG 4.02Å; E19-R21 PolarHBondContact O-N 3.25Å; E19-R21 IonicContact OE1-CZ 3.49Å; E19-R21 IonicContact OE1-NH1 3.25Å; E19-R21 PolarHBondContact OE1-NH1 2.82Å; E19-R21 IonicContact OE1-NH2 2.86Å; E19-R21 PolarHBondContact OE1-NH2 2.56Å; E19-R21 IonicContact OE2-CZ 3.33Å; E19-R21 IonicContact OE2-NE 3.4Å; E19-R21 PolarHBondContact OE2-NE 2.96Å; E19-R21 IonicContact OE2-NH1 2.8Å; E19-R21 PolarHBondContact OE2-NH1 3.49Å; E19-R21 IonicContact OE2-NH2 3.32Å; E19-R21 PolarHBondContact OE2-NH2 2.92Å
20K88.3Confident91.8Very high164 Ų16449.9 Ų49.971%0.71326%0.258SS*.THydrogen-bonded Turntrans50.240.6-176.8-59-175.9179.8179.30113.4Y15 I16Y15-K20 WeakPolarHBondContact OH-CA 3.48Å; I16-K20 WeakPolarHBondContact O-CA 3.41Å; I16-K20 PolarHBondContact O-N 3.07Å
21R90.4Very high91.3Very high115 Ų11555.2 Ų55.243%0.43428%0.278SS..EExtended strand (participates in β ladder)trans-129.6154.1-178.276.8177.1-169.2-121.8-6.4112.5I16 E19 E23I16-R21 PolarHBondContact N-O 3.41Å; I16-R21 PolarHBondContact O-N 2.96Å; E19-R21 HydrophobicContact CB-CG 4.02Å; E19-R21 PolarHBondContact O-N 3.25Å; E19-R21 IonicContact OE1-CZ 3.49Å; E19-R21 IonicContact OE1-NH1 3.25Å; E19-R21 PolarHBondContact OE1-NH1 2.82Å; E19-R21 IonicContact OE1-NH2 2.86Å; E19-R21 PolarHBondContact OE1-NH2 2.56Å; E19-R21 IonicContact OE2-CZ 3.33Å; E19-R21 IonicContact OE2-NE 3.4Å; E19-R21 PolarHBondContact OE2-NE 2.96Å; E19-R21 IonicContact OE2-NH1 2.8Å; E19-R21 PolarHBondContact OE2-NH1 3.49Å; E19-R21 IonicContact OE2-NH2 3.32Å; E19-R21 PolarHBondContact OE2-NH2 2.92Å; R21-E23 IonicContact CZ-OE2 3.65Å; R21-E23 IonicContact NE-OE2 3.19Å; R21-E23 PolarHBondContact NE-OE2 2.99Å; R21-E23 IonicContact NH2-OE2 3.05Å; R21-E23 PolarHBondContact NH2-OE2 3.18Å
22W90.8Very high90.8Very high102 Ų10254.3 Ų54.339%0.38627%0.272SS..EExtended strand (participates in β ladder)trans-91.5131169.9-70.594.7000110Y14 Y15 T67 W79Y14-W22 WeakPolarHBondContact O-CA 3.27Å; Y15-W22 HydrophobicContact CD2-CD2 4.02Å; Y15-W22 AromaticContact CD2-CE2 3.77Å; Y15-W22 HydrophobicContact CD2-CG 4.19Å; Y15-W22 HydrophobicContact CD2-CZ2 4.24Å; Y15-W22 AromaticContact CD2-NE1 3.75Å; Y15-W22 HydrophobicContact CG-CZ2 4.4Å; W22-T67 HydrophobicContact CH2-CG2 3.75Å; W22-T67 HydrophobicContact CZ2-CG2 4.08Å; W22-W79 HydrophobicContact CH2-CB 4.12Å
23E92.6Very high90.7Very high8 Ų855.8 Ų55.84%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-118.5126.3178-166.2157.514900110.5S13 Y14 I16 R21 S38 S41 L45S13-E23 CarbonylContact C-O 3.52Å; S13-E23 VanDerWaalsContact CA-O 3.24Å; S13-E23 WeakPolarHBondContact CA-O 3.45Å; Y14-E23 PolarHBondContact N-O 3.4Å; Y14-E23 PolarHBondContact O-N 3.44Å; I16-E23 HydrophobicContact CD1-CB 3.91Å; I16-E23 WeakPolarHBondContact CD1-OE2 3.47Å; I16-E23 HydrophobicContact CG1-CB 4.47Å; R21-E23 IonicContact CZ-OE2 3.65Å; R21-E23 IonicContact NE-OE2 3.19Å; R21-E23 PolarHBondContact NE-OE2 2.99Å; R21-E23 IonicContact NH2-OE2 3.05Å; R21-E23 PolarHBondContact NH2-OE2 3.18Å; E23-S38 WeakPolarHBondContact OE1-CB 3.41Å; E23-S38 PolarHBondContact OE1-OG 3.05Å; E23-S41 PolarHBondContact OE1-OG 2.94Å; E23-L45 HydrophobicContact CB-CD1 3.78Å; E23-L45 HydrophobicContact CG-CD1 3.86Å
24S93.9Very high90.7Very high61 Ų6155.3 Ų55.343%0.42727%0.274SS..EExtended strand (participates in β ladder)trans-77139.6-179.9-59.10000111.2G12 S39G12-S24 WeakPolarHBondContact O-CA 3.4Å; S24-S39 WeakPolarHBondContact O-CB 3.22Å; S24-S39 PolarHBondContact O-N 3.37Å
25G94.4Very high90.7Very high6 Ų656.7 Ų56.76%0.06228%0.279CS..EExtended strand (participates in β ladder)trans-171.1-164.9-17400000113.1G12 F36 I37G12-G25 PolarHBondContact N-O 3.05Å; G12-G25 PolarHBondContact O-N 3.29Å; G12-G25 VanDerWaalsContact O-O 3.06Å; G25-F36 VanDerWaalsContact CA-CZ 3.44Å; G25-I37 CarbonylContact C-O 3.57Å; G25-I37 WeakPolarHBondContact CA-O 3.35Å
26T95.3Very high90.9Very high61 Ų6154.2 Ų54.237%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-120.4121.4-179.9-56.30000109.6T9 F36 I37T9-T26 HydrophobicContact CG2-CG2 4.3Å; T26-F36 WeakPolarHBondContact O-CA 3.39Å; T26-I37 PolarHBondContact N-O 3.12Å; T26-I37 PolarHBondContact O-N 3.45Å
27L95.1Very high91Very high0 Ų056.6 Ų56.60%028%0.281CS..EExtended strand (participates in β ladder)trans-81.7127.2167.4-173.164.4000108.6T9 W10 V34 R35 F36 F80 L83 V90 L94T9-L27 CarbonylContact C-O 3.53Å; T9-L27 VanDerWaalsContact CA-O 3.25Å; T9-L27 WeakPolarHBondContact CA-O 3.33Å; W10-L27 HydrophobicContact CE3-CB 4.46Å; W10-L27 HydrophobicContact CE3-CD2 4.15Å; W10-L27 HydrophobicContact CE3-CG 4.25Å; W10-L27 PolarHBondContact N-O 3.49Å; W10-L27 PolarHBondContact O-N 3.22Å; L27-V34 HydrophobicContact CD1-CG1 3.47Å; L27-V34 VanDerWaalsContact CD1-CG1 3.47Å; L27-V34 HydrophobicContact CG-CG1 4.29Å; L27-R35 CarbonylContact C-O 3.54Å; L27-F36 HydrophobicContact CB-CD2 3.91Å; L27-F36 HydrophobicContact CB-CE2 4.4Å; L27-F36 HydrophobicContact CD1-CB 4.26Å; L27-F36 HydrophobicContact CD1-CD2 4.1Å; L27-F80 HydrophobicContact CD1-CD1 4.16Å; L27-F80 HydrophobicContact CD1-CE1 3.71Å; L27-F80 HydrophobicContact CD1-CZ 4.15Å; L27-L83 HydrophobicContact CD2-CD2 4.05Å; L27-V90 HydrophobicContact CD2-CG1 3.92Å; L27-L94 HydrophobicContact CD2-CD1 4.07Å
28S93.7Very high91.4Very high14 Ų1451 Ų5110%0.09825%0.251CS..EExtended strand (participates in β ladder)trans-123.3129.6179.558.90000109.8V34 R35S28-V34 WeakPolarHBondContact O-CA 3.39Å; S28-R35 PolarHBondContact N-O 3.04Å; S28-R35 PolarHBondContact O-N 3.11Å; S28-R35 PolarHBondContact OG-O 3.13Å
29L93.1Very high91.6Very high0 Ų049.9 Ų49.90%024%0.244CC..EExtended strand (participates in β ladder)trans-101125.5172.617365.4000108.5P6 I7 H8 W10 V34 L50 V93 L94 F97P6-L29 CarbonylContact C-O 3.47Å; P6-L29 WeakPolarHBondContact CA-O 3.25Å; I7-L29 PolarHBondContact N-O 3.33Å; H8-L29 PolarHBondContact N-O 3.49Å; H8-L29 PolarHBondContact O-N 3.13Å; W10-L29 HydrophobicContact CH2-CB 3.96Å; W10-L29 HydrophobicContact CH2-CD2 4.01Å; W10-L29 HydrophobicContact CZ3-CB 3.73Å; L29-V34 HydrophobicContact CD1-CG2 3.9Å; L29-L50 HydrophobicContact CD1-CD1 4.01Å; L29-L50 HydrophobicContact CD1-CD2 4.26Å; L29-V93 HydrophobicContact CD2-CG1 3.89Å; L29-L94 HydrophobicContact CB-CD2 4.24Å; L29-L94 HydrophobicContact CD1-CD2 3.92Å; L29-L94 HydrophobicContact CD2-CD2 4.24Å; L29-L94 HydrophobicContact CG-CD2 4.36Å; L29-F97 HydrophobicContact CD1-CB 4.45Å; L29-F97 HydrophobicContact CD2-CB 4.22Å; L29-F97 HydrophobicContact CD2-CD1 4.32Å; L29-F97 HydrophobicContact CD2-CD2 3.69Å; L29-F97 HydrophobicContact CD2-CE2 4.07Å; L29-F97 HydrophobicContact CD2-CG 3.81Å
30T89.4Confident91.5Very high4 Ų452.7 Ų52.73%0.02526%0.257CS..  trans-109.9-178.5170.163.80000109.6D4 T32 M33D4-T30 HydrophobicContact CB-CG2 4.22Å; T30-T32 PolarHBondContact O-N 2.92Å; T30-M33 PolarHBondContact N-O 2.96Å; T30-M33 WeakPolarHBondContact OG1-CA 3.27Å; T30-M33 WeakPolarHBondContact OG1-CB 3.23Å; T30-M33 PolarHBondContact OG1-N 2.98Å; T30-M33 PolarHBondContact OG1-O 3.21Å
31R82.2Confident91.3Very high116 Ų11647.2 Ų47.244%0.43824%0.239SC..SBendtrans-56.7-32.9179.6-173.7179-176.6-1630.8113.5I7 R101 Y268I7-R31 HydrophobicContact CD1-CB 4.39Å; R31-R101 PolarHBondContact O-NH1 3.35Å; R31-R101 PolarHBondContact O-NH2 3.42Å; R31-Y268 WeakPolarHBondContact CD-OH 3.45Å; R31-Y268 WeakPolarHBondContact CG-OH 3.48Å; R31-Y268 PolarHBondContact NE-OH 2.86Å
32T83.7Confident91.2Very high49 Ų4950 Ų5030%0.30126%0.255SS..SBendtrans-130.9-16.9-170.253.40000113.7T30 R49 L50T30-T32 PolarHBondContact O-N 2.92Å; T32-R49 WeakPolarHBondContact O-CA 3.4Å; T32-L50 PolarHBondContact O-N 2.76Å
33M90.6Very high91.2Very high40 Ų4051.4 Ų51.420%0.19727%0.265CS..EExtended strand (participates in β ladder)trans-133.5152.2-172.9-70.7-173.9-85.100112.4T30 R35 F48 R49T30-M33 PolarHBondContact N-O 2.96Å; T30-M33 WeakPolarHBondContact OG1-CA 3.27Å; T30-M33 WeakPolarHBondContact OG1-CB 3.23Å; T30-M33 PolarHBondContact OG1-N 2.98Å; T30-M33 PolarHBondContact OG1-O 3.21Å; M33-R35 VanDerWaalsContact CE-NH2 3.29Å; M33-F48 VanDerWaalsContact CA-O 3.3Å; M33-F48 WeakPolarHBondContact CA-O 3.47Å; M33-F48 WeakPolarHBondContact CB-O 3.36Å; M33-R49 HydrophobicContact CG-CG 3.92Å; M33-R49 HydrophobicContact SD-CG 4.47Å
34V93.4Very high91.1Very high3 Ų354.4 Ų54.42%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-111.6130.1167.6178.60000107.6L27 S28 L29 S47 F48 L50 L94L27-V34 HydrophobicContact CD1-CG1 3.47Å; L27-V34 VanDerWaalsContact CD1-CG1 3.47Å; L27-V34 HydrophobicContact CG-CG1 4.29Å; S28-V34 WeakPolarHBondContact O-CA 3.39Å; L29-V34 HydrophobicContact CD1-CG2 3.9Å; V34-S47 WeakPolarHBondContact O-CA 3.43Å; V34-F48 HydrophobicContact CB-CD2 4.18Å; V34-F48 HydrophobicContact CB-CE1 4.34Å; V34-F48 HydrophobicContact CB-CE2 3.6Å; V34-F48 HydrophobicContact CB-CZ 3.68Å; V34-F48 HydrophobicContact CG1-CE1 4.28Å; V34-F48 HydrophobicContact CG1-CE2 4.14Å; V34-F48 HydrophobicContact CG1-CZ 3.71Å; V34-F48 HydrophobicContact CG2-CE2 3.97Å; V34-F48 HydrophobicContact CG2-CZ 4.37Å; V34-F48 PolarHBondContact N-O 3.45Å; V34-F48 PolarHBondContact O-N 2.88Å; V34-F48 VanDerWaalsContact O-N 3.09Å; V34-L50 HydrophobicContact CG2-CD2 3.54Å; V34-L50 HydrophobicContact CG2-CG 4.24Å; V34-L94 HydrophobicContact CG1-CD2 4.46Å; V34-L94 HydrophobicContact CG2-CD2 3.83Å
35R94.3Very high90.9Very high54 Ų5453.3 Ų53.320%0.20428%0.276CS..EExtended strand (participates in β ladder)trans-132139.8179.5-50.7-172.5-151.3-178.97.4111.2L27 S28 M33 A46L27-R35 CarbonylContact C-O 3.54Å; S28-R35 PolarHBondContact N-O 3.04Å; S28-R35 PolarHBondContact O-N 3.11Å; S28-R35 PolarHBondContact OG-O 3.13Å; M33-R35 VanDerWaalsContact CE-NH2 3.29Å; R35-A46 CarbonylContact C-O 3.46Å; R35-A46 VanDerWaalsContact CA-O 3.28Å; R35-A46 WeakPolarHBondContact CA-O 3.25Å
36F94.5Very high90.8Very high0 Ų053.3 Ų53.30%028%0.275CS..EExtended strand (participates in β ladder)trans-114.8121.2172.4-168.4-85.3000110Y14 G25 T26 L27 C44 L45 A46 F80Y14-F36 VanDerWaalsContact CB-CD1 3.42Å; Y14-F36 HydrophobicContact CG-CD1 4.13Å; Y14-F36 HydrophobicContact CG-CE1 4.46Å; Y14-F36 HydrophobicContact CG-CG 4.37Å; G25-F36 VanDerWaalsContact CA-CZ 3.44Å; T26-F36 WeakPolarHBondContact O-CA 3.39Å; L27-F36 HydrophobicContact CB-CD2 3.91Å; L27-F36 HydrophobicContact CB-CE2 4.4Å; L27-F36 HydrophobicContact CD1-CB 4.26Å; L27-F36 HydrophobicContact CD1-CD2 4.1Å; F36-C44 CarbonylContact O-C 3.55Å; F36-L45 HydrophobicContact CD1-CB 4.22Å; F36-L45 HydrophobicContact CD1-CD1 4.03Å; F36-L45 HydrophobicContact CD1-CG 4.48Å; F36-L45 HydrophobicContact CE1-CD1 4.04Å; F36-L45 PolarHBondContact O-N 3.34Å; F36-A46 HydrophobicContact CB-CB 4.13Å; F36-A46 PolarHBondContact N-O 3.41Å; F36-A46 PolarHBondContact O-N 2.99Å; F36-F80 HydrophobicContact CB-CE1 4.05Å; F36-F80 HydrophobicContact CD2-CD1 4Å; F36-F80 AromaticContact CD2-CE1 3.99Å; F36-F80 HydrophobicContact CD2-CE1 3.99Å; F36-F80 HydrophobicContact CE2-CD1 4.49Å; F36-F80 HydrophobicContact CG-CE1 4.26Å
37I94.2Very high90.7Very high68 Ų6853.4 Ų53.435%0.34928%0.278SS..EExtended strand (participates in β ladder)trans-110.7126.9-179.6-58.5175.2000108.5G25 T26 E43G25-I37 CarbonylContact C-O 3.57Å; G25-I37 WeakPolarHBondContact CA-O 3.35Å; T26-I37 PolarHBondContact N-O 3.12Å; T26-I37 PolarHBondContact O-N 3.45Å; I37-E43 WeakPolarHBondContact CA-O 3.45Å
38S93.7Very high90.5Very high2 Ų253.7 Ų53.71%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-61.5139.2175.51760000111.4E23 Q40 S41 K42 E43E23-S38 WeakPolarHBondContact OE1-CB 3.41Å; E23-S38 PolarHBondContact OE1-OG 3.05Å; S38-Q40 VanDerWaalsContact C-N 3.32Å; S38-Q40 PolarHBondContact OG-N 3.28Å; S38-S41 WeakPolarHBondContact CB-OG 3.46Å; S38-S41 PolarHBondContact OG-N 2.9Å; S38-S41 VanDerWaalsContact OG-N 3.15Å; S38-S41 PolarHBondContact OG-OG 3.42Å; S38-K42 WeakPolarHBondContact O-CA 3.48Å; S38-K42 PolarHBondContact O-N 3.26Å; S38-E43 PolarHBondContact N-O 3.41Å
39S91.1Very high90.4Very high85 Ų8560.4 Ų60.459%0.59430%0.303SS*.THydrogen-bonded Turntrans-75.4-24.2171.3-171.80000112.4S24S24-S39 WeakPolarHBondContact O-CB 3.22Å; S24-S39 PolarHBondContact O-N 3.37Å
40Q86.9Confident90.2Very high154 Ų15460.6 Ų60.672%0.7230%0.303SS*.THydrogen-bonded Turntrans-89.7-57.5-175-62.7-177.523.300110.8S38S38-Q40 VanDerWaalsContact C-N 3.32Å; S38-Q40 PolarHBondContact OG-N 3.28Å
41S84.3Confident90.1Very high50 Ų5064.4 Ų64.435%0.3533%0.331SS..THydrogen-bonded Turntrans-85-16.2-177.4630000113.1E23 S38 E43E23-S41 PolarHBondContact OE1-OG 2.94Å; S38-S41 WeakPolarHBondContact CB-OG 3.46Å; S38-S41 PolarHBondContact OG-N 2.9Å; S38-S41 VanDerWaalsContact OG-N 3.15Å; S38-S41 PolarHBondContact OG-OG 3.42Å; S41-E43 PolarHBondContact O-N 3.46Å; S41-E43 VanDerWaalsContact O-N 3.11Å; S41-E43 WeakPolarHBondContact OG-CB 3.48Å; S41-E43 PolarHBondContact OG-N 3.27Å
42K87.6Confident90.4Very high174 Ų17459.6 Ų59.676%0.75732%0.315SS*.  trans56.914.5-168.4-59.7-177.2179.7176.30113.7S38S38-K42 WeakPolarHBondContact O-CA 3.48Å; S38-K42 PolarHBondContact O-N 3.26Å
43E90.6Very high90.8Very high130 Ų13057.6 Ų57.661%0.60730%0.302SS*.  trans-83.7153.6176.5-64.7-178.1163.700111.1I37 S38 S41 L45I37-E43 WeakPolarHBondContact CA-O 3.45Å; S38-E43 PolarHBondContact N-O 3.41Å; S41-E43 PolarHBondContact O-N 3.46Å; S41-E43 VanDerWaalsContact O-N 3.11Å; S41-E43 WeakPolarHBondContact OG-CB 3.48Å; S41-E43 PolarHBondContact OG-N 3.27Å; E43-L45 PolarHBondContact O-N 3.11Å
44C90.4Very high90.7Very high71 Ų7161.1 Ų61.148%0.4832%0.32SS..EExtended strand (participates in β ladder)trans-83.7101.7175.9-169.50000109.2F36 A46F36-C44 CarbonylContact O-C 3.55Å; C44-A46 PolarHBondContact SG-O 3.32Å; C44-A46 VanDerWaalsContact SG-O 3.34Å
45L90.7Very high90.6Very high39 Ų3964.6 Ų64.620%0.20434%0.336CS..EExtended strand (participates in β ladder)trans-79.7-26.6-176.8-58.7179.5000113.1Y14 I16 E23 F36 E43Y14-L45 HydrophobicContact CD1-CB 3.72Å; Y14-L45 HydrophobicContact CD1-CD1 4.17Å; Y14-L45 HydrophobicContact CE1-CB 4.04Å; I16-L45 HydrophobicContact CD1-CD1 4.02Å; I16-L45 HydrophobicContact CD1-CD2 4Å; I16-L45 HydrophobicContact CG1-CD1 4.37Å; E23-L45 HydrophobicContact CB-CD1 3.78Å; E23-L45 HydrophobicContact CG-CD1 3.86Å; F36-L45 HydrophobicContact CD1-CB 4.22Å; F36-L45 HydrophobicContact CD1-CD1 4.03Å; F36-L45 HydrophobicContact CD1-CG 4.48Å; F36-L45 HydrophobicContact CE1-CD1 4.04Å; F36-L45 PolarHBondContact O-N 3.34Å; E43-L45 PolarHBondContact O-N 3.11Å
46A91.4Very high90.5Very high6 Ų662.9 Ų62.95%0.0533%0.33CS..EExtended strand (participates in β ladder)trans-145.8137.9174.500000109.8Y14 R35 F36 C44Y14-A46 HydrophobicContact CD2-CB 4.31Å; Y14-A46 HydrophobicContact CE1-CB 4.35Å; Y14-A46 HydrophobicContact CE2-CB 3.73Å; R35-A46 CarbonylContact C-O 3.46Å; R35-A46 VanDerWaalsContact CA-O 3.28Å; R35-A46 WeakPolarHBondContact CA-O 3.25Å; F36-A46 HydrophobicContact CB-CB 4.13Å; F36-A46 PolarHBondContact N-O 3.41Å; F36-A46 PolarHBondContact O-N 2.99Å; C44-A46 PolarHBondContact SG-O 3.32Å; C44-A46 VanDerWaalsContact SG-O 3.34Å
47S93Very high90.3Very high63 Ų6367.3 Ų67.344%0.44135%0.35SS..EExtended strand (participates in β ladder)trans-152.6110.71741760000109.1V34V34-S47 WeakPolarHBondContact O-CA 3.43Å
48F92.3Very high90.1Very high6 Ų668 Ų683%0.02635%0.352CS..EExtended strand (participates in β ladder)trans-136157.7179.753.8-94.2000111M33 V34 V53 V70 E72 H78 F80M33-F48 VanDerWaalsContact CA-O 3.3Å; M33-F48 WeakPolarHBondContact CA-O 3.47Å; M33-F48 WeakPolarHBondContact CB-O 3.36Å; V34-F48 HydrophobicContact CB-CD2 4.18Å; V34-F48 HydrophobicContact CB-CE1 4.34Å; V34-F48 HydrophobicContact CB-CE2 3.6Å; V34-F48 HydrophobicContact CB-CZ 3.68Å; V34-F48 HydrophobicContact CG1-CE1 4.28Å; V34-F48 HydrophobicContact CG1-CE2 4.14Å; V34-F48 HydrophobicContact CG1-CZ 3.71Å; V34-F48 HydrophobicContact CG2-CE2 3.97Å; V34-F48 HydrophobicContact CG2-CZ 4.37Å; V34-F48 PolarHBondContact N-O 3.45Å; V34-F48 PolarHBondContact O-N 2.88Å; V34-F48 VanDerWaalsContact O-N 3.09Å; F48-V53 HydrophobicContact CD2-CG2 3.66Å; F48-V53 HydrophobicContact CE2-CG2 3.63Å; F48-V70 HydrophobicContact CE2-CG1 3.73Å; F48-V70 HydrophobicContact CZ-CB 4.13Å; F48-V70 HydrophobicContact CZ-CG1 3.77Å; F48-V70 HydrophobicContact CZ-CG2 4.26Å; F48-E72 HydrophobicContact CB-CG 4.37Å; F48-E72 WeakPolarHBondContact CB-OE1 3.13Å; F48-E72 WeakPolarHBondContact CB-OE2 3.11Å; F48-H78 AromaticContact CD1-CD2 3.74Å; F48-H78 AromaticContact CD1-NE2 3.72Å; F48-H78 HydrophobicContact CE1-CB 4.49Å; F48-H78 AromaticContact CE1-CD2 3.82Å; F48-F80 HydrophobicContact CE1-CE2 4.37Å; F48-F80 AromaticContact CE1-CZ 3.98Å; F48-F80 HydrophobicContact CE1-CZ 3.98Å; F48-F80 HydrophobicContact CZ-CE2 4.37Å; F48-F80 HydrophobicContact CZ-CZ 4.29Å
49R90.7Very high89.6Confident155 Ų15570.5 Ų70.559%0.58536%0.364SS*.EExtended strand (participates in β ladder)trans-82.3145.1175.5-68.7-175.8-178.9-165.11.4109.4T32 M33 S51 S52T32-R49 WeakPolarHBondContact O-CA 3.4Å; M33-R49 HydrophobicContact CG-CG 3.92Å; M33-R49 HydrophobicContact SD-CG 4.47Å; R49-S51 PolarHBondContact O-N 2.8Å; R49-S52 PolarHBondContact N-OG 3.32Å; R49-S52 PolarHBondContact O-N 3.36Å; R49-S52 VanDerWaalsContact O-N 3.1Å; R49-S52 PolarHBondContact O-OG 3.09Å
50L89.3Confident88.7Confident3 Ų371 Ų712%0.01637%0.367CS..G310 helixtrans-60.3-30.3172.5-71.3169.4000111.5L29 T32 V34 S52 V53 F97 W98 R101L29-L50 HydrophobicContact CD1-CD1 4.01Å; L29-L50 HydrophobicContact CD1-CD2 4.26Å; T32-L50 PolarHBondContact O-N 2.76Å; V34-L50 HydrophobicContact CG2-CD2 3.54Å; V34-L50 HydrophobicContact CG2-CG 4.24Å; L50-S52 VanDerWaalsContact C-N 3.33Å; L50-V53 PolarHBondContact O-N 2.85Å; L50-F97 HydrophobicContact CD1-CB 4.21Å; L50-W98 HydrophobicContact CD2-CB 4.4Å; L50-R101 HydrophobicContact CD1-CG 4.47Å
51S87.7Confident87.4Confident85 Ų8567.1 Ų67.159%0.59436%0.357SS*.G310 helixtrans-71.6-23.2177.160.30000114R49 V53R49-S51 PolarHBondContact O-N 2.8Å; S51-V53 VanDerWaalsContact C-N 3.33Å
52S88.6Confident86.1Confident15 Ų1570.2 Ų70.211%0.10538%0.379CS..G310 helixtrans-86.7-5.1176.8580000112.5R49 L50 M54 E72 E73R49-S52 PolarHBondContact N-OG 3.32Å; R49-S52 PolarHBondContact O-N 3.36Å; R49-S52 VanDerWaalsContact O-N 3.1Å; R49-S52 PolarHBondContact O-OG 3.09Å; L50-S52 VanDerWaalsContact C-N 3.33Å; S52-M54 PolarHBondContact O-N 3.4Å; S52-E72 CarbonylContact O-C 3.58Å; S52-E72 WeakPolarHBondContact O-CA 3.46Å; S52-E72 PolarHBondContact OG-OE1 2.89Å; S52-E73 PolarHBondContact O-N 3.43Å
53V91.6Very high84.2Confident7 Ų769.6 Ų69.64%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-73.8119.5176.9178.30000109.9F48 L50 S51 M56 V70 W98F48-V53 HydrophobicContact CD2-CG2 3.66Å; F48-V53 HydrophobicContact CE2-CG2 3.63Å; L50-V53 PolarHBondContact O-N 2.85Å; S51-V53 VanDerWaalsContact C-N 3.33Å; V53-M56 HydrophobicContact CG1-CG 3.65Å; V53-M56 HydrophobicContact CG1-SD 4.27Å; V53-V70 HydrophobicContact CB-CG1 4.35Å; V53-V70 HydrophobicContact CG1-CG1 3.69Å; V53-V70 HydrophobicContact CG2-CG1 3.77Å; V53-W98 HydrophobicContact CG1-CD2 4.19Å; V53-W98 HydrophobicContact CG1-CG 4.45Å; V53-W98 HydrophobicContact CG1-CZ2 4.15Å; V53-W98 PolarHBondContact O-NE1 3.36Å
54M89.5Confident82.4Confident113 Ų11371 Ų7156%0.55739%0.386SS*.EExtended strand (participates in β ladder)trans-88.4-40175.8-62.9-172.668.600112S52 L71S52-M54 PolarHBondContact O-N 3.4Å; M54-L71 HydrophobicContact CB-CD2 4.33Å; M54-L71 HydrophobicContact CB-CG 4.39Å; M54-L71 PolarHBondContact N-O 2.74Å
55E90.9Very high81.3Confident76 Ų7673.7 Ų73.736%0.35539%0.39SS..EExtended strand (participates in β ladder)trans-151.7145.1-175.9-173.8173.5-138.400111.4K57 L71E55-K57 HydrophobicContact CG-CD 4.28Å; E55-K57 HydrophobicContact CG-CG 4.15Å; E55-K57 WeakPolarHBondContact OE1-CE 3.41Å; E55-K57 IonicContact OE1-NZ 2.94Å; E55-K57 PolarHBondContact OE1-NZ 2.82Å; E55-K57 WeakPolarHBondContact OE2-CE 3.12Å; E55-K57 IonicContact OE2-NZ 3.45Å; E55-K57 PolarHBondContact OE2-NZ 3.01Å; E55-L71 HydrophobicContact CB-CB 4.02Å; E55-L71 HydrophobicContact CB-CD2 4.29Å; E55-L71 PolarHBondContact N-O 2.85Å; E55-L71 PolarHBondContact O-N 3.26Å
56M91.9Very high80.7Confident18 Ų1873.9 Ų73.99%0.08940%0.395CS..EExtended strand (participates in β ladder)trans-126.7128.4171.2-65.9179.866.600109.7V53 T69 V70 F91 L94 W98V53-M56 HydrophobicContact CG1-CG 3.65Å; V53-M56 HydrophobicContact CG1-SD 4.27Å; M56-T69 WeakPolarHBondContact CA-O 3.2Å; M56-V70 HydrophobicContact CE-CG2 4.4Å; M56-V70 HydrophobicContact CG-CG1 4.32Å; M56-V70 HydrophobicContact CG-CG2 4.29Å; M56-F91 HydrophobicContact CB-CE2 4.01Å; M56-L94 HydrophobicContact CE-CB 3.31Å; M56-L94 HydrophobicContact CE-CD1 4.07Å; M56-L94 HydrophobicContact CE-CG 4.34Å; M56-L94 HydrophobicContact SD-CB 4.44Å; M56-W98 HydrophobicContact CB-CE3 4.42Å; M56-W98 HydrophobicContact CB-CZ3 4.2Å; M56-W98 HydrophobicContact CG-CD2 4.47Å; M56-W98 HydrophobicContact CG-CE3 4Å; M56-W98 HydrophobicContact CG-CZ3 4.14Å; M56-W98 HydrophobicContact SD-CB 4.15Å; M56-W98 HydrophobicContact SD-CD2 3.99Å; M56-W98 HydrophobicContact SD-CE3 3.61Å; M56-W98 HydrophobicContact SD-CG 4.24Å; M56-W98 HydrophobicContact SD-CZ3 4.32Å
57K90.4Very high80.5Confident94 Ų9474.1 Ų74.141%0.40940%0.395SS..EExtended strand (participates in β ladder)trans-133.8143.6-178-83172166.7148.90111.8E55 E59 T69E55-K57 HydrophobicContact CG-CD 4.28Å; E55-K57 HydrophobicContact CG-CG 4.15Å; E55-K57 WeakPolarHBondContact OE1-CE 3.41Å; E55-K57 IonicContact OE1-NZ 2.94Å; E55-K57 PolarHBondContact OE1-NZ 2.82Å; E55-K57 WeakPolarHBondContact OE2-CE 3.12Å; E55-K57 IonicContact OE2-NZ 3.45Å; E55-K57 PolarHBondContact OE2-NZ 3.01Å; K57-E59 HydrophobicContact CB-CG 4.32Å; K57-T69 WeakPolarHBondContact CB-OG1 3.38Å; K57-T69 PolarHBondContact N-O 3.08Å; K57-T69 PolarHBondContact O-N 3.49Å; K57-T69 PolarHBondContact O-OG1 2.79Å
58M90.2Very high80.4Confident81 Ų8171.1 Ų71.140%0.39937%0.374SS..EExtended strand (participates in β ladder)trans-92.5113.9164.6-69.7-177.3-7700108.1V88 F91M58-V88 HydrophobicContact SD-CG2 4.15Å; M58-F91 HydrophobicContact CE-CD1 3.57Å; M58-F91 HydrophobicContact CE-CD2 4.47Å; M58-F91 HydrophobicContact CE-CE1 3.8Å; M58-F91 HydrophobicContact CE-CG 3.94Å; M58-F91 HydrophobicContact CE-CZ 4.33Å; M58-F91 HydrophobicContact CG-CB 4.08Å; M58-F91 HydrophobicContact CG-CD1 4.45Å; M58-F91 HydrophobicContact CG-CD2 3.84Å; M58-F91 HydrophobicContact CG-CE2 4.41Å; M58-F91 HydrophobicContact CG-CG 3.85Å; M58-F91 HydrophobicContact SD-CB 3.88Å; M58-F91 HydrophobicContact SD-CD1 4.02Å; M58-F91 HydrophobicContact SD-CD2 4.42Å; M58-F91 HydrophobicContact SD-CG 3.84Å
59E82.4Confident80.4Confident56 Ų5671 Ų7126%0.26237%0.374SS..EExtended strand (participates in β ladder)trans-110.9127.9-179.5-70.8177.9-141.500109.5K57 T67 T69 K77 W79K57-E59 HydrophobicContact CB-CG 4.32Å; E59-T67 PolarHBondContact N-O 3.4Å; E59-T67 PolarHBondContact O-N 2.99Å; E59-T67 VanDerWaalsContact O-O 3.09Å; E59-T67 PolarHBondContact O-OG1 2.89Å; E59-T69 HydrophobicContact CB-CG2 4.38Å; E59-T69 HydrophobicContact CG-CG2 4.22Å; E59-T69 WeakPolarHBondContact OE1-CB 3.4Å; E59-T69 WeakPolarHBondContact OE1-CG2 3.11Å; E59-T69 PolarHBondContact OE1-OG1 3.23Å; E59-K77 VanDerWaalsContact CD-NZ 3.31Å; E59-K77 WeakPolarHBondContact OE1-CE 3.45Å; E59-K77 IonicContact OE1-NZ 2.74Å; E59-K77 PolarHBondContact OE1-NZ 3.27Å; E59-K77 IonicContact OE2-NZ 3.45Å; E59-K77 PolarHBondContact OE2-NZ 3.34Å; E59-W79 VanDerWaalsContact OE2-CH2 3.28Å; E59-W79 WeakPolarHBondContact OE2-CH2 3.42Å; E59-W79 WeakPolarHBondContact OE2-CZ3 3.39Å
60S72.3Confident80.5Confident96 Ų9663.7 Ų63.767%0.67135%0.347SS*.EExtended strand (participates in β ladder)trans-111.8122.9172.652.90000109.7
61S60.7Low80.7Confident72 Ų7265.4 Ų65.450%0.50336%0.356SS..  trans-79.7149.4165.4177.90000110.4F63 F65S61-F63 PolarHBondContact O-N 2.9Å; S61-F65 PolarHBondContact N-O 3.26Å
62S55.3Low80.9Confident115 Ų11563 Ų6380%0.80434%0.335SS*.THydrogen-bonded Turntrans-58.2-13.2175.6-40.80000113.8
63F49.2Very low80.9Confident160 Ų16068.9 Ų68.970%0.70236%0.361SS*.THydrogen-bonded Turntrans-123.247.8-174.7-66.8-84.1000114S61S61-F63 PolarHBondContact O-N 2.9Å
64I52.7Low80.7Confident160 Ų16071.5 Ų71.582%0.82139%0.389SS*.SBendtrans94.1-8.8155.3-43.5147.6000116.6
65F66.9Low80.6Confident128 Ų12872.4 Ų72.456%0.56140%0.396SS*.  trans-98.1109.1176.2-57.6-70.8000112.3S61 T67S61-F65 PolarHBondContact N-O 3.26Å; F65-T67 HydrophobicContact CB-CG2 4.36Å
66S76.8Confident80.6Confident42 Ų4272.9 Ų72.929%0.29440%0.401SS..EExtended strand (participates in β ladder)trans-85.4119168.976.80000110.1R87S66-R87 VanDerWaalsContact CB-CZ 3.43Å; S66-R87 PolarHBondContact OG-NH1 3.31Å; S66-R87 VanDerWaalsContact OG-NH1 3.11Å
67T87.3Confident80.6Confident11 Ų1175.8 Ų75.87%0.06741%0.412CS..EExtended strand (participates in β ladder)trans-120.9148.7-172.859.90000111.2W22 E59 F65 F80W22-T67 HydrophobicContact CH2-CG2 3.75Å; W22-T67 HydrophobicContact CZ2-CG2 4.08Å; E59-T67 PolarHBondContact N-O 3.4Å; E59-T67 PolarHBondContact O-N 2.99Å; E59-T67 VanDerWaalsContact O-O 3.09Å; E59-T67 PolarHBondContact O-OG1 2.89Å; F65-T67 HydrophobicContact CB-CG2 4.36Å; T67-F80 CarbonylContact C-O 3.58Å; T67-F80 WeakPolarHBondContact CA-O 3.09Å; T67-F80 WeakPolarHBondContact CB-O 3.47Å
68L91.8Very high80.7Confident0 Ų071.9 Ų71.90%040%0.396CS..EExtended strand (participates in β ladder)trans-106.1123.7167.1168.465.6000106.9F80 L83 V90 F91 L94L68-F80 HydrophobicContact CB-CB 4.23Å; L68-F80 HydrophobicContact CG-CD2 4.44Å; L68-F80 PolarHBondContact N-O 2.88Å; L68-F80 PolarHBondContact O-N 2.91Å; L68-L83 HydrophobicContact CB-CD1 3.78Å; L68-L83 HydrophobicContact CD2-CD1 3.85Å; L68-L83 HydrophobicContact CG-CD1 4.47Å; L68-V90 HydrophobicContact CD2-CG1 4.24Å; L68-F91 HydrophobicContact CD1-CB 4.33Å; L68-F91 HydrophobicContact CD1-CD2 3.63Å; L68-F91 HydrophobicContact CD1-CG 4.46Å; L68-L94 HydrophobicContact CD2-CD1 3.72Å
69T92.4Very high80.8Confident4 Ų471.4 Ų71.43%0.02539%0.39CS..EExtended strand (participates in β ladder)trans-109138.7177.158.60000110.3M56 K57 E59 H78 W79M56-T69 WeakPolarHBondContact CA-O 3.2Å; K57-T69 WeakPolarHBondContact CB-OG1 3.38Å; K57-T69 PolarHBondContact N-O 3.08Å; K57-T69 PolarHBondContact O-N 3.49Å; K57-T69 PolarHBondContact O-OG1 2.79Å; E59-T69 HydrophobicContact CB-CG2 4.38Å; E59-T69 HydrophobicContact CG-CG2 4.22Å; E59-T69 WeakPolarHBondContact OE1-CB 3.4Å; E59-T69 WeakPolarHBondContact OE1-CG2 3.11Å; E59-T69 PolarHBondContact OE1-OG1 3.23Å; T69-H78 VanDerWaalsContact CA-O 3.24Å; T69-H78 WeakPolarHBondContact CA-O 3.48Å; T69-W79 HydrophobicContact CG2-CD2 3.66Å; T69-W79 HydrophobicContact CG2-CE3 3.18Å; T69-W79 HydrophobicContact CG2-CG 4.31Å; T69-W79 HydrophobicContact CG2-CH2 4.22Å; T69-W79 HydrophobicContact CG2-CZ3 3.49Å; T69-W79 VanDerWaalsContact CG2-CZ3 3.49Å
70V93.1Very high81.3Confident2 Ų268.8 Ų68.81%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-125.9122.6175.5-176.70000107.4F48 V53 M56 H78 F80F48-V70 HydrophobicContact CE2-CG1 3.73Å; F48-V70 HydrophobicContact CZ-CB 4.13Å; F48-V70 HydrophobicContact CZ-CG1 3.77Å; F48-V70 HydrophobicContact CZ-CG2 4.26Å; V53-V70 HydrophobicContact CB-CG1 4.35Å; V53-V70 HydrophobicContact CG1-CG1 3.69Å; V53-V70 HydrophobicContact CG2-CG1 3.77Å; M56-V70 HydrophobicContact CE-CG2 4.4Å; M56-V70 HydrophobicContact CG-CG1 4.32Å; M56-V70 HydrophobicContact CG-CG2 4.29Å; V70-H78 HydrophobicContact CB-CB 4.3Å; V70-H78 PolarHBondContact N-O 3.47Å; V70-H78 PolarHBondContact O-N 3.06Å; V70-F80 HydrophobicContact CB-CE2 4.3Å; V70-F80 HydrophobicContact CG2-CD2 4.23Å; V70-F80 HydrophobicContact CG2-CE2 3.83Å
71L92.8Very high82.2Confident38 Ų3864.4 Ų64.420%0.19935%0.347CS..EExtended strand (participates in β ladder)trans-96114.9174.4-174.466.4000108.5M54 E55 K77M54-L71 HydrophobicContact CB-CD2 4.33Å; M54-L71 HydrophobicContact CB-CG 4.39Å; M54-L71 PolarHBondContact N-O 2.74Å; E55-L71 HydrophobicContact CB-CB 4.02Å; E55-L71 HydrophobicContact CB-CD2 4.29Å; E55-L71 PolarHBondContact N-O 2.85Å; E55-L71 PolarHBondContact O-N 3.26Å; L71-K77 HydrophobicContact CD1-CB 4.45Å
72E92.4Very high83.5Confident34 Ų3464.7 Ų64.716%0.15935%0.349CS..EExtended strand (participates in β ladder)trans-92.1154.2172.9-179.4172.8-147.400110.9F48 S52 G74 N75 I76 H78F48-E72 HydrophobicContact CB-CG 4.37Å; F48-E72 WeakPolarHBondContact CB-OE1 3.13Å; F48-E72 WeakPolarHBondContact CB-OE2 3.11Å; S52-E72 CarbonylContact O-C 3.58Å; S52-E72 WeakPolarHBondContact O-CA 3.46Å; S52-E72 PolarHBondContact OG-OE1 2.89Å; E72-G74 PolarHBondContact O-N 3.02Å; E72-N75 PolarHBondContact O-N 3.46Å; E72-N75 VanDerWaalsContact O-N 3.12Å; E72-I76 HydrophobicContact CB-CB 4.34Å; E72-I76 PolarHBondContact N-O 2.81Å; E72-I76 PolarHBondContact O-N 3.07Å; E72-H78 IonicContact OE2-NE2 3.82Å; E72-H78 PolarHBondContact OE2-NE2 3.31Å
73E88.4Confident85.2Confident140 Ų14059.8 Ų59.865%0.65431%0.314SS*.THydrogen-bonded Turntrans-45.5134.2167.2-170.5174.5-163.300111.5S52S52-E73 PolarHBondContact O-N 3.43Å
74G86.5Confident87.1Confident61 Ų6158.6 Ų58.663%0.62931%0.309SS*.THydrogen-bonded Turntrans8913.8-169.100000114.2E72 I76E72-G74 PolarHBondContact O-N 3.02Å; G74-I76 PolarHBondContact O-N 3.03Å
75N88.2Confident88.7Confident133 Ų13354.4 Ų54.471%0.71129%0.291SS*.THydrogen-bonded Turntrans59.730.3178.3-68.9-52.1000113.8E72 K77E72-N75 PolarHBondContact O-N 3.46Å; E72-N75 VanDerWaalsContact O-N 3.12Å; N75-K77 PolarHBondContact O-N 3.32Å
76I90.9Very high89.6Confident86 Ų8650.8 Ų50.844%0.44128%0.278SS..EExtended strand (participates in β ladder)trans-84.5114.9177.5-56.2176.5000107.9E72 G74E72-I76 HydrophobicContact CB-CB 4.34Å; E72-I76 PolarHBondContact N-O 2.81Å; E72-I76 PolarHBondContact O-N 3.07Å; G74-I76 PolarHBondContact O-N 3.03Å
77K91.8Very high90.2Very high78 Ų7853 Ų5334%0.33928%0.28SS..EExtended strand (participates in β ladder)trans-98.6114.7-179.8-168.3174-178.3-177.60111E59 L71 N75 W79E59-K77 VanDerWaalsContact CD-NZ 3.31Å; E59-K77 WeakPolarHBondContact OE1-CE 3.45Å; E59-K77 IonicContact OE1-NZ 2.74Å; E59-K77 PolarHBondContact OE1-NZ 3.27Å; E59-K77 IonicContact OE2-NZ 3.45Å; E59-K77 PolarHBondContact OE2-NZ 3.34Å; L71-K77 HydrophobicContact CD1-CB 4.45Å; N75-K77 PolarHBondContact O-N 3.32Å; K77-W79 HydrophobicContact CD-CH2 4.27Å; K77-W79 HydrophobicContact CD-CZ2 3.48Å; K77-W79 VanDerWaalsContact CD-CZ2 3.48Å; K77-W79 HydrophobicContact CG-CZ2 4.31Å
78H92.6Very high90.3Very high12 Ų1255.3 Ų55.36%0.05629%0.294CS..EExtended strand (participates in β ladder)trans-92.6138.2173.4-62.1-70000110.6Y14 F48 T69 V70 E72 F80Y14-H78 HydrophobicContact CE2-CB 4.01Å; Y14-H78 AromaticContact CE2-ND1 3.79Å; Y14-H78 AromaticContact CZ-ND1 3.77Å; Y14-H78 PolarHBondContact OH-ND1 3.44Å; F48-H78 AromaticContact CD1-CD2 3.74Å; F48-H78 AromaticContact CD1-NE2 3.72Å; F48-H78 HydrophobicContact CE1-CB 4.49Å; F48-H78 AromaticContact CE1-CD2 3.82Å; T69-H78 VanDerWaalsContact CA-O 3.24Å; T69-H78 WeakPolarHBondContact CA-O 3.48Å; V70-H78 HydrophobicContact CB-CB 4.3Å; V70-H78 PolarHBondContact N-O 3.47Å; V70-H78 PolarHBondContact O-N 3.06Å; E72-H78 IonicContact OE2-NE2 3.82Å; E72-H78 PolarHBondContact OE2-NE2 3.31Å; H78-F80 HydrophobicContact CB-CE2 3.73Å; H78-F80 HydrophobicContact CB-CZ 4.01Å
79W92.7Very high90.3Very high72 Ų7255.5 Ų55.527%0.27330%0.295SS..EExtended strand (participates in β ladder)trans-123.7124.2178.1-53.274.1000110.5Y14 Y15 W22 E59 T69 K77Y14-W79 WeakPolarHBondContact CD2-O 3.47Å; Y15-W79 PolarHBondContact N-O 3.35Å; W22-W79 HydrophobicContact CH2-CB 4.12Å; E59-W79 VanDerWaalsContact OE2-CH2 3.28Å; E59-W79 WeakPolarHBondContact OE2-CH2 3.42Å; E59-W79 WeakPolarHBondContact OE2-CZ3 3.39Å; T69-W79 HydrophobicContact CG2-CD2 3.66Å; T69-W79 HydrophobicContact CG2-CE3 3.18Å; T69-W79 HydrophobicContact CG2-CG 4.31Å; T69-W79 HydrophobicContact CG2-CH2 4.22Å; T69-W79 HydrophobicContact CG2-CZ3 3.49Å; T69-W79 VanDerWaalsContact CG2-CZ3 3.49Å; K77-W79 HydrophobicContact CD-CH2 4.27Å; K77-W79 HydrophobicContact CD-CZ2 3.48Å; K77-W79 VanDerWaalsContact CD-CZ2 3.48Å; K77-W79 HydrophobicContact CG-CZ2 4.31Å
80F92.7Very high90.2Very high1 Ų155.3 Ų55.30%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-115.2136.5177.3-55.9-80.3000109.6S13 Y14 L27 F36 F48 T67 L68 V70 H78 L83S13-F80 CarbonylContact O-C 3.52Å; S13-F80 WeakPolarHBondContact O-CA 3.44Å; Y14-F80 AromaticContact CD2-CD1 3.79Å; Y14-F80 HydrophobicContact CD2-CD1 3.79Å; Y14-F80 AromaticContact CD2-CE1 3.46Å; Y14-F80 HydrophobicContact CD2-CE1 3.46Å; Y14-F80 VanDerWaalsContact CD2-CE1 3.46Å; Y14-F80 HydrophobicContact CD2-CZ 4.05Å; Y14-F80 AromaticContact CE2-CE1 4Å; Y14-F80 HydrophobicContact CE2-CE1 4Å; Y14-F80 HydrophobicContact CE2-CZ 4.12Å; Y14-F80 HydrophobicContact CG-CE1 4.47Å; L27-F80 HydrophobicContact CD1-CD1 4.16Å; L27-F80 HydrophobicContact CD1-CE1 3.71Å; L27-F80 HydrophobicContact CD1-CZ 4.15Å; F36-F80 HydrophobicContact CB-CE1 4.05Å; F36-F80 HydrophobicContact CD2-CD1 4Å; F36-F80 AromaticContact CD2-CE1 3.99Å; F36-F80 HydrophobicContact CD2-CE1 3.99Å; F36-F80 HydrophobicContact CE2-CD1 4.49Å; F36-F80 HydrophobicContact CG-CE1 4.26Å; F48-F80 HydrophobicContact CE1-CE2 4.37Å; F48-F80 AromaticContact CE1-CZ 3.98Å; F48-F80 HydrophobicContact CE1-CZ 3.98Å; F48-F80 HydrophobicContact CZ-CE2 4.37Å; F48-F80 HydrophobicContact CZ-CZ 4.29Å; T67-F80 CarbonylContact C-O 3.58Å; T67-F80 WeakPolarHBondContact CA-O 3.09Å; T67-F80 WeakPolarHBondContact CB-O 3.47Å; L68-F80 HydrophobicContact CB-CB 4.23Å; L68-F80 HydrophobicContact CG-CD2 4.44Å; L68-F80 PolarHBondContact N-O 2.88Å; L68-F80 PolarHBondContact O-N 2.91Å; V70-F80 HydrophobicContact CB-CE2 4.3Å; V70-F80 HydrophobicContact CG2-CD2 4.23Å; V70-F80 HydrophobicContact CG2-CE2 3.83Å; H78-F80 HydrophobicContact CB-CE2 3.73Å; H78-F80 HydrophobicContact CB-CZ 4.01Å; F80-L83 HydrophobicContact CB-CD1 4.01Å; F80-L83 HydrophobicContact CB-CD2 4.33Å; F80-L83 HydrophobicContact CB-CG 4.35Å
81G90.7Very high90.2Very high4 Ų456.1 Ų56.14%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-133.3169-17900000111S13 L83S13-G81 PolarHBondContact N-O 3.2Å; S13-G81 PolarHBondContact O-N 3.33Å; G81-L83 PolarHBondContact O-N 3.04Å
82S89.3Confident90.3Very high77 Ų7755.2 Ų55.254%0.53829%0.293SS..SBendtrans50.930.4173.8-56.30000114.9
83L90Very high90.3Very high12 Ų1253.6 Ų53.66%0.06329%0.285CS..  trans-68.2128.9-178-69.1169.2000110.9L27 L68 F80 G81 N86 V90L27-L83 HydrophobicContact CD2-CD2 4.05Å; L68-L83 HydrophobicContact CB-CD1 3.78Å; L68-L83 HydrophobicContact CD2-CD1 3.85Å; L68-L83 HydrophobicContact CG-CD1 4.47Å; F80-L83 HydrophobicContact CB-CD1 4.01Å; F80-L83 HydrophobicContact CB-CD2 4.33Å; F80-L83 HydrophobicContact CB-CG 4.35Å; G81-L83 PolarHBondContact O-N 3.04Å; L83-N86 CarbonylContact O-C 3.58Å; L83-N86 WeakPolarHBondContact O-CA 3.49Å; L83-V90 HydrophobicContact CB-CB 4.5Å; L83-V90 HydrophobicContact CB-CG2 4.03Å; L83-V90 HydrophobicContact CD1-CB 4.13Å; L83-V90 HydrophobicContact CD1-CG1 3.98Å; L83-V90 HydrophobicContact CD2-CG1 4.35Å
84K89.1Confident90.5Very high136 Ų13647.1 Ų47.159%0.59126%0.255SS*.SBendtrans-106.1146175.7-55.9-172.2177-179.40111.5W10 P11W10-K84 VanDerWaalsContact CD1-O 3.28Å; P11-K84 HydrophobicContact CG-CB 3.92Å; P11-K84 HydrophobicContact CG-CD 4.15Å; P11-K84 HydrophobicContact CG-CG 4.26Å; P11-K84 PolarHBondContact O-N 3.05Å
85P86.1Confident90.8Very high71 Ų7145.7 Ų45.746%0.46123%0.232SC..SBendcis-72.5-33.85.528.2-34.7000113.5V89P85-V89 HydrophobicContact CG-CB 4.17Å; P85-V89 HydrophobicContact CG-CG1 3.9Å; P85-V89 HydrophobicContact CG-CG2 4.32Å
86N86.3Confident90.9Very high52 Ų5240.3 Ų40.328%0.27820%0.203SC..  trans-153.3164.9167.76847.8000109.7L83 V88 V89 V90 D228L83-N86 CarbonylContact O-C 3.58Å; L83-N86 WeakPolarHBondContact O-CA 3.49Å; N86-V88 VanDerWaalsContact C-N 3.27Å; N86-V88 PolarHBondContact O-N 3.23Å; N86-V88 WeakPolarHBondContact OD1-CA 3.49Å; N86-V88 WeakPolarHBondContact OD1-CB 3.43Å; N86-V88 PolarHBondContact OD1-N 3.42Å; N86-V89 WeakPolarHBondContact OD1-CB 3.28Å; N86-V89 WeakPolarHBondContact OD1-CG2 3.4Å; N86-V89 PolarHBondContact OD1-N 3.15Å; N86-V90 PolarHBondContact O-N 3.46Å; N86-D228 PolarHBondContact ND2-OD1 2.86Å
87R88.4Confident90.9Very high88 Ų8836.2 Ų36.233%0.33218%0.182SC..Hα-helixtrans-63.2-30.7-179.872.3177.6178.6-83.3-0.1114S66 V90 F91S66-R87 VanDerWaalsContact CB-CZ 3.43Å; S66-R87 PolarHBondContact OG-NH1 3.31Å; S66-R87 VanDerWaalsContact OG-NH1 3.11Å; R87-V90 PolarHBondContact O-N 3.03Å; R87-F91 VanDerWaalsContact O-CB 3.29Å; R87-F91 WeakPolarHBondContact O-CB 3.3Å; R87-F91 PolarHBondContact O-N 2.83Å
88V90.9Very high90.9Very high61 Ų6134 Ų3437%0.3717%0.171SC..Hα-helixtrans-70.7-43.5-174.2178.40000109.7M58 N86 F91 N92M58-V88 HydrophobicContact SD-CG2 4.15Å; N86-V88 VanDerWaalsContact C-N 3.27Å; N86-V88 PolarHBondContact O-N 3.23Å; N86-V88 WeakPolarHBondContact OD1-CA 3.49Å; N86-V88 WeakPolarHBondContact OD1-CB 3.43Å; N86-V88 PolarHBondContact OD1-N 3.42Å; V88-F91 PolarHBondContact O-N 3.46Å; V88-N92 WeakPolarHBondContact O-CB 3.39Å; V88-N92 PolarHBondContact O-N 2.84Å; V88-N92 PolarHBondContact O-ND2 2.75Å; V88-N92 PolarHBondContact O-OD1 2.98Å
89V90.6Very high90.7Very high4 Ų439.9 Ų39.92%0.02419%0.193CC..Hα-helixtrans-59.4-48.4174.6164.30000110.8P85 N86 F91 N92 V93 S227 L229P85-V89 HydrophobicContact CG-CB 4.17Å; P85-V89 HydrophobicContact CG-CG1 3.9Å; P85-V89 HydrophobicContact CG-CG2 4.32Å; N86-V89 WeakPolarHBondContact OD1-CB 3.28Å; N86-V89 WeakPolarHBondContact OD1-CG2 3.4Å; N86-V89 PolarHBondContact OD1-N 3.15Å; V89-F91 VanDerWaalsContact C-N 3.34Å; V89-F91 PolarHBondContact O-N 2.49Å; V89-N92 PolarHBondContact O-N 3.39Å; V89-V93 WeakPolarHBondContact O-CG2 3.44Å; V89-V93 PolarHBondContact O-N 2.76Å; V89-V93 VanDerWaalsContact O-N 3.09Å; V89-S227 WeakPolarHBondContact CG2-O 3.41Å; V89-L229 HydrophobicContact CG1-CB 3.92Å; V89-L229 HydrophobicContact CG1-CD1 3.97Å; V89-L229 HydrophobicContact CG1-CG 4.4Å; V89-L229 HydrophobicContact CG2-CB 4.32Å
90V91.9Very high90.3Very high0 Ų037.1 Ų37.10%018%0.183CC..Hα-helixtrans-63.6-42.9178.8-1790000111W10 L27 L68 L83 N86 R87 V93 L94W10-V90 HydrophobicContact CB-CG2 4.1Å; W10-V90 HydrophobicContact CD2-CG1 4.06Å; W10-V90 HydrophobicContact CD2-CG2 3.95Å; W10-V90 HydrophobicContact CE3-CG1 4.04Å; W10-V90 HydrophobicContact CG-CG1 4.46Å; W10-V90 HydrophobicContact CG-CG2 3.62Å; W10-V90 HydrophobicContact CZ3-CG1 4.41Å; L27-V90 HydrophobicContact CD2-CG1 3.92Å; L68-V90 HydrophobicContact CD2-CG1 4.24Å; L83-V90 HydrophobicContact CB-CB 4.5Å; L83-V90 HydrophobicContact CB-CG2 4.03Å; L83-V90 HydrophobicContact CD1-CB 4.13Å; L83-V90 HydrophobicContact CD1-CG1 3.98Å; L83-V90 HydrophobicContact CD2-CG1 4.35Å; N86-V90 PolarHBondContact O-N 3.46Å; R87-V90 PolarHBondContact O-N 3.03Å; V90-V93 PolarHBondContact O-N 2.91Å; V90-L94 HydrophobicContact CG1-CD1 3.76Å; V90-L94 HydrophobicContact CG1-CG 4.28Å; V90-L94 WeakPolarHBondContact O-CB 3.12Å; V90-L94 VanDerWaalsContact O-CG 3.32Å; V90-L94 WeakPolarHBondContact O-CG 3.38Å; V90-L94 PolarHBondContact O-N 2.96Å
91F92.6Very high89.6Confident18 Ų1839.4 Ų39.48%0.07919%0.192CC..Hα-helixtrans-58.5-51.6174.3175.1-94.9000111.7M56 M58 L68 R87 V88 V89 V93 L94 E95M56-F91 HydrophobicContact CB-CE2 4.01Å; M58-F91 HydrophobicContact CE-CD1 3.57Å; M58-F91 HydrophobicContact CE-CD2 4.47Å; M58-F91 HydrophobicContact CE-CE1 3.8Å; M58-F91 HydrophobicContact CE-CG 3.94Å; M58-F91 HydrophobicContact CE-CZ 4.33Å; M58-F91 HydrophobicContact CG-CB 4.08Å; M58-F91 HydrophobicContact CG-CD1 4.45Å; M58-F91 HydrophobicContact CG-CD2 3.84Å; M58-F91 HydrophobicContact CG-CE2 4.41Å; M58-F91 HydrophobicContact CG-CG 3.85Å; M58-F91 HydrophobicContact SD-CB 3.88Å; M58-F91 HydrophobicContact SD-CD1 4.02Å; M58-F91 HydrophobicContact SD-CD2 4.42Å; M58-F91 HydrophobicContact SD-CG 3.84Å; L68-F91 HydrophobicContact CD1-CB 4.33Å; L68-F91 HydrophobicContact CD1-CD2 3.63Å; L68-F91 HydrophobicContact CD1-CG 4.46Å; R87-F91 VanDerWaalsContact O-CB 3.29Å; R87-F91 WeakPolarHBondContact O-CB 3.3Å; R87-F91 PolarHBondContact O-N 2.83Å; V88-F91 PolarHBondContact O-N 3.46Å; V89-F91 VanDerWaalsContact C-N 3.34Å; V89-F91 PolarHBondContact O-N 2.49Å; F91-V93 VanDerWaalsContact C-N 3.29Å; F91-V93 PolarHBondContact O-N 3.45Å; F91-L94 PolarHBondContact O-N 2.86Å; F91-E95 HydrophobicContact CE1-CB 4.27Å; F91-E95 HydrophobicContact CE1-CG 4.47Å; F91-E95 WeakPolarHBondContact CE1-OE2 3.42Å; F91-E95 HydrophobicContact CZ-CB 4.3Å; F91-E95 HydrophobicContact CZ-CG 4.35Å; F91-E95 WeakPolarHBondContact O-CB 3.31Å; F91-E95 PolarHBondContact O-N 2.94Å
92N93.4Very high88.4Confident19 Ų1944.2 Ų44.210%0.10222%0.216CC..Hα-helixtrans-56.9-42.2-178.7-68.7-17.4000112V88 V89 H96 V220 L229 P231V88-N92 WeakPolarHBondContact O-CB 3.39Å; V88-N92 PolarHBondContact O-N 2.84Å; V88-N92 PolarHBondContact O-ND2 2.75Å; V88-N92 PolarHBondContact O-OD1 2.98Å; V89-N92 PolarHBondContact O-N 3.39Å; N92-H96 VanDerWaalsContact O-CB 3.26Å; N92-H96 WeakPolarHBondContact O-CB 3.34Å; N92-H96 PolarHBondContact O-N 3.28Å; N92-V220 HydrophobicContact CB-CG1 4.21Å; N92-L229 PolarHBondContact ND2-O 3.29Å; N92-P231 HydrophobicContact CB-CG 4.22Å
93V93.1Very high87Confident0 Ų046.1 Ų46.10%022%0.219CC..Hα-helixtrans-69-50.7177.8178.60000111.1W10 L29 V89 V90 F91 E95 H96 F97 V220 L229 L287W10-V93 HydrophobicContact CH2-CB 4.03Å; W10-V93 HydrophobicContact CH2-CG1 3.64Å; W10-V93 HydrophobicContact CZ2-CB 3.8Å; W10-V93 HydrophobicContact CZ2-CG1 3.67Å; W10-V93 HydrophobicContact CZ2-CG2 4.16Å; L29-V93 HydrophobicContact CD2-CG1 3.89Å; V89-V93 WeakPolarHBondContact O-CG2 3.44Å; V89-V93 PolarHBondContact O-N 2.76Å; V89-V93 VanDerWaalsContact O-N 3.09Å; V90-V93 PolarHBondContact O-N 2.91Å; F91-V93 VanDerWaalsContact C-N 3.29Å; F91-V93 PolarHBondContact O-N 3.45Å; V93-E95 VanDerWaalsContact C-N 3.32Å; V93-E95 PolarHBondContact O-N 3.23Å; V93-H96 WeakPolarHBondContact O-CB 3.36Å; V93-H96 PolarHBondContact O-N 3.02Å; V93-F97 HydrophobicContact CG1-CD2 4.01Å; V93-F97 HydrophobicContact CG1-CE2 4.03Å; V93-F97 VanDerWaalsContact O-CD2 3.31Å; V93-F97 WeakPolarHBondContact O-CD2 3.42Å; V93-F97 PolarHBondContact O-N 2.86Å; V93-F97 VanDerWaalsContact O-N 3.1Å; V93-V220 HydrophobicContact CG2-CG1 4.4Å; V93-V220 HydrophobicContact CG2-CG2 4.45Å; V93-L229 HydrophobicContact CG2-CD1 3.73Å; V93-L287 HydrophobicContact CB-CD2 4.29Å; V93-L287 HydrophobicContact CG1-CD2 3.46Å; V93-L287 VanDerWaalsContact CG1-CD2 3.46Å; V93-L287 HydrophobicContact CG2-CD2 3.78Å
94L92.5Very high85.4Confident4 Ų447.3 Ų47.32%0.02123%0.228CC..Hα-helixtrans-62.4-42.2-179-71173.9000111.9W10 L27 L29 V34 M56 L68 V90 F91 F97 W98W10-L94 HydrophobicContact CH2-CD2 4.37Å; W10-L94 HydrophobicContact CH2-CG 4.49Å; W10-L94 HydrophobicContact CZ3-CD2 4.06Å; W10-L94 HydrophobicContact CZ3-CG 4.34Å; L27-L94 HydrophobicContact CD2-CD1 4.07Å; L29-L94 HydrophobicContact CB-CD2 4.24Å; L29-L94 HydrophobicContact CD1-CD2 3.92Å; L29-L94 HydrophobicContact CD2-CD2 4.24Å; L29-L94 HydrophobicContact CG-CD2 4.36Å; V34-L94 HydrophobicContact CG1-CD2 4.46Å; V34-L94 HydrophobicContact CG2-CD2 3.83Å; M56-L94 HydrophobicContact CE-CB 3.31Å; M56-L94 HydrophobicContact CE-CD1 4.07Å; M56-L94 HydrophobicContact CE-CG 4.34Å; M56-L94 HydrophobicContact SD-CB 4.44Å; L68-L94 HydrophobicContact CD2-CD1 3.72Å; V90-L94 HydrophobicContact CG1-CD1 3.76Å; V90-L94 HydrophobicContact CG1-CG 4.28Å; V90-L94 WeakPolarHBondContact O-CB 3.12Å; V90-L94 VanDerWaalsContact O-CG 3.32Å; V90-L94 WeakPolarHBondContact O-CG 3.38Å; V90-L94 PolarHBondContact O-N 2.96Å; F91-L94 PolarHBondContact O-N 2.86Å; L94-F97 PolarHBondContact O-N 2.95Å; L94-W98 VanDerWaalsContact O-CB 3.3Å; L94-W98 WeakPolarHBondContact O-CB 3.36Å; L94-W98 PolarHBondContact O-N 2.88Å
95E92.5Very high83.3Confident32 Ų3246.7 Ų46.715%0.1524%0.238CC..Hα-helixtrans-61.1-44.3176.3-178.8178.6-134.400111.1F91 V93 F97 W98 R99F91-E95 HydrophobicContact CE1-CB 4.27Å; F91-E95 HydrophobicContact CE1-CG 4.47Å; F91-E95 WeakPolarHBondContact CE1-OE2 3.42Å; F91-E95 HydrophobicContact CZ-CB 4.3Å; F91-E95 HydrophobicContact CZ-CG 4.35Å; F91-E95 WeakPolarHBondContact O-CB 3.31Å; F91-E95 PolarHBondContact O-N 2.94Å; V93-E95 VanDerWaalsContact C-N 3.32Å; V93-E95 PolarHBondContact O-N 3.23Å; E95-F97 PolarHBondContact O-N 2.89Å; E95-W98 PolarHBondContact O-N 3.38Å; E95-R99 HydrophobicContact CG-CG 4.07Å; E95-R99 VanDerWaalsContact CG-NE 3.32Å; E95-R99 WeakPolarHBondContact O-CB 3.45Å; E95-R99 VanDerWaalsContact O-CG 3.31Å; E95-R99 WeakPolarHBondContact O-CG 3.3Å; E95-R99 PolarHBondContact O-N 3.45Å; E95-R99 IonicContact OE1-CZ 2.81Å; E95-R99 IonicContact OE1-NE 2.86Å; E95-R99 PolarHBondContact OE1-NE 3.39Å; E95-R99 VanDerWaalsContact OE1-NE 3.07Å; E95-R99 IonicContact OE1-NH2 3.56Å; E95-R99 PolarHBondContact OE1-NH2 3.03Å
96H91.9Very high81.2Confident20 Ų2047.4 Ų47.49%0.09324%0.241CC..Hα-helixtrans-56.1-51.1175.6-179.171.1000111.7N92 V93 W98 E100 P218 V220 S288 A289N92-H96 VanDerWaalsContact O-CB 3.26Å; N92-H96 WeakPolarHBondContact O-CB 3.34Å; N92-H96 PolarHBondContact O-N 3.28Å; V93-H96 WeakPolarHBondContact O-CB 3.36Å; V93-H96 PolarHBondContact O-N 3.02Å; H96-W98 PolarHBondContact O-N 3.19Å; H96-E100 WeakPolarHBondContact O-CB 3.17Å; H96-E100 VanDerWaalsContact O-CG 3.3Å; H96-E100 WeakPolarHBondContact O-CG 3.33Å; H96-E100 PolarHBondContact O-N 2.71Å; H96-P218 PolarHBondContact CE1-O 3.36Å; H96-P218 PolarHBondContact NE2-O 3.23Å; H96-V220 HydrophobicContact CB-CG2 3.64Å; H96-S288 WeakPolarHBondContact NE2-CA 3.19Å; H96-S288 PolarHBondContact NE2-OG 3.19Å; H96-S288 VanDerWaalsContact NE2-OG 3.09Å; H96-A289 PolarHBondContact NE2-N 3.42Å
97F91.1Very high79.2Confident0 Ų050.7 Ų50.70%027%0.269CS..Hα-helixtrans-68.3-34.6-179.5-82.7-98.2000113I7 L29 L50 V93 L94 E95 R101 Y268 L287 A289I7-F97 HydrophobicContact CD1-CD1 4.29Å; I7-F97 HydrophobicContact CD1-CE1 3.61Å; I7-F97 HydrophobicContact CD1-CZ 4.24Å; I7-F97 HydrophobicContact CG2-CE1 4.37Å; I7-F97 HydrophobicContact CG2-CZ 3.92Å; L29-F97 HydrophobicContact CD1-CB 4.45Å; L29-F97 HydrophobicContact CD2-CB 4.22Å; L29-F97 HydrophobicContact CD2-CD1 4.32Å; L29-F97 HydrophobicContact CD2-CD2 3.69Å; L29-F97 HydrophobicContact CD2-CE2 4.07Å; L29-F97 HydrophobicContact CD2-CG 3.81Å; L50-F97 HydrophobicContact CD1-CB 4.21Å; V93-F97 HydrophobicContact CG1-CD2 4.01Å; V93-F97 HydrophobicContact CG1-CE2 4.03Å; V93-F97 VanDerWaalsContact O-CD2 3.31Å; V93-F97 WeakPolarHBondContact O-CD2 3.42Å; V93-F97 PolarHBondContact O-N 2.86Å; V93-F97 VanDerWaalsContact O-N 3.1Å; L94-F97 PolarHBondContact O-N 2.95Å; E95-F97 PolarHBondContact O-N 2.89Å; F97-R101 WeakPolarHBondContact O-CB 3.45Å; F97-R101 WeakPolarHBondContact O-CG 3.48Å; F97-R101 PolarHBondContact O-N 3.49Å; F97-Y268 HydrophobicContact CE1-CD1 4.31Å; F97-Y268 HydrophobicContact CE1-CG 4.31Å; F97-Y268 HydrophobicContact CZ-CG 4.4Å; F97-L287 HydrophobicContact CE2-CD1 4.38Å; F97-L287 HydrophobicContact CE2-CD2 4.25Å; F97-L287 HydrophobicContact CE2-CG 3.99Å; F97-L287 HydrophobicContact CZ-CD1 4.34Å; F97-L287 HydrophobicContact CZ-CG 4.39Å; F97-A289 HydrophobicContact CD1-CB 3.71Å; F97-A289 HydrophobicContact CE1-CB 3.84Å; F97-A289 HydrophobicContact CG-CB 4.24Å; F97-A289 HydrophobicContact CZ-CB 4.48Å
98W90.9Very high77.1Confident32 Ų3254.2 Ų54.212%0.12129%0.289CS..Hα-helixtrans-66.9-53.1174.8172.448.5000111.7L50 V53 M56 L94 E95 H96 E100 R101 L102L50-W98 HydrophobicContact CD2-CB 4.4Å; V53-W98 HydrophobicContact CG1-CD2 4.19Å; V53-W98 HydrophobicContact CG1-CG 4.45Å; V53-W98 HydrophobicContact CG1-CZ2 4.15Å; V53-W98 PolarHBondContact O-NE1 3.36Å; M56-W98 HydrophobicContact CB-CE3 4.42Å; M56-W98 HydrophobicContact CB-CZ3 4.2Å; M56-W98 HydrophobicContact CG-CD2 4.47Å; M56-W98 HydrophobicContact CG-CE3 4Å; M56-W98 HydrophobicContact CG-CZ3 4.14Å; M56-W98 HydrophobicContact SD-CB 4.15Å; M56-W98 HydrophobicContact SD-CD2 3.99Å; M56-W98 HydrophobicContact SD-CE3 3.61Å; M56-W98 HydrophobicContact SD-CG 4.24Å; M56-W98 HydrophobicContact SD-CZ3 4.32Å; L94-W98 VanDerWaalsContact O-CB 3.3Å; L94-W98 WeakPolarHBondContact O-CB 3.36Å; L94-W98 PolarHBondContact O-N 2.88Å; E95-W98 PolarHBondContact O-N 3.38Å; H96-W98 PolarHBondContact O-N 3.19Å; W98-E100 PolarHBondContact O-N 3.41Å; W98-R101 WeakPolarHBondContact O-CB 3.44Å; W98-R101 PolarHBondContact O-N 3.25Å; W98-R101 VanDerWaalsContact O-N 3.08Å; W98-L102 HydrophobicContact CD2-CD1 4.33Å; W98-L102 HydrophobicContact CZ2-CD1 4.01Å; W98-L102 WeakPolarHBondContact O-CG 3.39Å; W98-L102 PolarHBondContact O-N 3.1Å
99R88.6Confident74.7Confident135 Ų13555.5 Ų55.551%0.50931%0.306SS..Hα-helixtrans-60.4-47179.7-71.8-179.1178.9-146.64.5111.9E95 R101 L102 L103E95-R99 HydrophobicContact CG-CG 4.07Å; E95-R99 VanDerWaalsContact CG-NE 3.32Å; E95-R99 WeakPolarHBondContact O-CB 3.45Å; E95-R99 VanDerWaalsContact O-CG 3.31Å; E95-R99 WeakPolarHBondContact O-CG 3.3Å; E95-R99 PolarHBondContact O-N 3.45Å; E95-R99 IonicContact OE1-CZ 2.81Å; E95-R99 IonicContact OE1-NE 2.86Å; E95-R99 PolarHBondContact OE1-NE 3.39Å; E95-R99 VanDerWaalsContact OE1-NE 3.07Å; E95-R99 IonicContact OE1-NH2 3.56Å; E95-R99 PolarHBondContact OE1-NH2 3.03Å; R99-R101 PolarHBondContact O-N 2.88Å; R99-L102 WeakPolarHBondContact O-CB 3.44Å; R99-L102 PolarHBondContact O-N 3.23Å; R99-L102 VanDerWaalsContact O-N 3.12Å; R99-L103 VanDerWaalsContact O-CG 3.27Å; R99-L103 WeakPolarHBondContact O-CG 3.39Å; R99-L103 PolarHBondContact O-N 2.83Å
100E84.5Confident72Confident14 Ų1466.2 Ų66.27%0.06535%0.346CS..Hα-helixtrans-65.3-23.9178.5-69.4-56146.400112.5H96 W98 S104 P218 A289 K290H96-E100 WeakPolarHBondContact O-CB 3.17Å; H96-E100 VanDerWaalsContact O-CG 3.3Å; H96-E100 WeakPolarHBondContact O-CG 3.33Å; H96-E100 PolarHBondContact O-N 2.71Å; W98-E100 PolarHBondContact O-N 3.41Å; E100-S104 VanDerWaalsContact O-CB 3.31Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 2.95Å; E100-S104 PolarHBondContact O-OG 3.41Å; E100-P218 WeakPolarHBondContact OE1-CB 3.35Å; E100-A289 HydrophobicContact CB-CB 3.83Å; E100-A289 HydrophobicContact CG-CB 4.36Å; E100-K290 VanDerWaalsContact OE2-CD 3.25Å; E100-K290 WeakPolarHBondContact OE2-CD 3.32Å; E100-K290 WeakPolarHBondContact OE2-CE 3.41Å; E100-K290 IonicContact OE2-NZ 2.98Å; E100-K290 PolarHBondContact OE2-NZ 3.1Å
101R77.3Confident69.3Low49 Ų4969.8 Ų69.819%0.18538%0.383CS..Hα-helixtrans-75.2-39.7171-77.6-72.3150.6128.417.9113.2R31 L50 F97 W98 R99 L103 S104R31-R101 PolarHBondContact O-NH1 3.35Å; R31-R101 PolarHBondContact O-NH2 3.42Å; L50-R101 HydrophobicContact CD1-CG 4.47Å; F97-R101 WeakPolarHBondContact O-CB 3.45Å; F97-R101 WeakPolarHBondContact O-CG 3.48Å; F97-R101 PolarHBondContact O-N 3.49Å; W98-R101 WeakPolarHBondContact O-CB 3.44Å; W98-R101 PolarHBondContact O-N 3.25Å; W98-R101 VanDerWaalsContact O-N 3.08Å; R99-R101 PolarHBondContact O-N 2.88Å; R101-L103 PolarHBondContact O-N 2.65Å; R101-S104 PolarHBondContact O-N 3.33Å
102L66.2Low67Low105 Ų10573.9 Ų73.955%0.5542%0.42SS..Hα-helixtrans-61.4-35.3171.9-64.4175.4000111.5W98 R99W98-L102 HydrophobicContact CD2-CD1 4.33Å; W98-L102 HydrophobicContact CZ2-CD1 4.01Å; W98-L102 WeakPolarHBondContact O-CG 3.39Å; W98-L102 PolarHBondContact O-N 3.1Å; R99-L102 WeakPolarHBondContact O-CB 3.44Å; R99-L102 PolarHBondContact O-N 3.23Å; R99-L102 VanDerWaalsContact O-N 3.12Å
103L60.2Low64.4Low116 Ų11681 Ų8161%0.60745%0.452SS*.Hα-helixtrans-85.2-17-179.8-63.1173.6000113.8R99 R101R99-L103 VanDerWaalsContact O-CG 3.27Å; R99-L103 WeakPolarHBondContact O-CG 3.39Å; R99-L103 PolarHBondContact O-N 2.83Å; R101-L103 PolarHBondContact O-N 2.65Å
104S56.3Low62.1Low37 Ų3784.4 Ų84.426%0.25949%0.488SS..SBendtrans-81.2123173.3-64.30000108.3E100 R101 T106E100-S104 VanDerWaalsContact O-CB 3.31Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 2.95Å; E100-S104 PolarHBondContact O-OG 3.41Å; R101-S104 PolarHBondContact O-N 3.33Å; S104-T106 PolarHBondContact O-N 2.96Å
105P45.1Very low60Low123 Ų12393.2 Ų93.280%0.79953%0.529SS*.  trans-61103.6174.923.9-30.2000108.1S107P105-S107 PolarHBondContact O-N 3Å
106T41.9Very low58.3Low86 Ų8694.5 Ų94.553%0.52854%0.54SS..  trans-67.7105.7176.7-69.40000106.7S104 E108S104-T106 PolarHBondContact O-N 2.96Å; T106-E108 HydrophobicContact CG2-CB 3.75Å; T106-E108 PolarHBondContact O-N 3.12Å; T106-E108 VanDerWaalsContact O-N 3.11Å
107S42.6Very low57.3Low122 Ų12295.8 Ų95.885%0.85355%0.551SS**SBendtrans-70.210.4168.99.10000112.2P105P105-S107 PolarHBondContact O-N 3Å
108E44.8Very low56.5Low162 Ų162102.3 Ų102.376%0.75758%0.58SS**  trans-119.357.9-178.7-60.1-171.9170.800110.8T106T106-E108 HydrophobicContact CG2-CB 3.75Å; T106-E108 PolarHBondContact O-N 3.12Å; T106-E108 VanDerWaalsContact O-N 3.11Å
109A41.8Very low55.7Low87 Ų87100.8 Ų100.872%0.71957%0.574SS**  trans-17068.4157.700000111.3
110R32.8Very low55.2Low230 Ų230102.1 Ų102.187%0.86858%0.579SS**  trans-149.994.4145-106.6-177.9-157.3-162.64.9108
111G36.3Very low55.1Low75 Ų75106.1 Ų106.177%0.77360%0.598SS**  trans-61136163.400000109.5E113G111-E113 PolarHBondContact O-N 3.39Å
112A43.5Very low55.3Low104 Ų104107.5 Ų107.586%0.8661%0.609SS**SBendtrans48.361.5155.700000117.5
113E39.2Very low56.2Low167 Ų167103.4 Ų103.478%0.7859%0.587SS**SBendtrans-136.4136.8141.2-75-166.2153.800107.4G111 Q115G111-E113 PolarHBondContact O-N 3.39Å; E113-Q115 PolarHBondContact O-N 3.35Å
114G44.6Very low57.4Low73 Ų73102.5 Ų102.575%0.75359%0.586SS**PPolyproline II helixtrans-46.5136.9-170.300000112.3P116G114-P116 WeakPolarHBondContact O-CD 3.48Å
115Q47.9Very low58.9Low188 Ų188106.5 Ų106.588%0.87960%0.604SS**PPolyproline II helixtrans-46.4117.5179-73.1-136.5-49.800109.2E113 S117E113-Q115 PolarHBondContact O-N 3.35Å; Q115-S117 PolarHBondContact O-N 2.8Å
116P56.8Low60.9Low60 Ų60101.6 Ų101.639%0.3957%0.572SS.*PPolyproline II helixtrans-60.1138.2177.922.9-30000107.8G114 R120 E121G114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-R120 HydrophobicContact CB-CB 4.06Å; P116-R120 HydrophobicContact CB-CG 4.28Å; P116-E121 HydrophobicContact CB-CG 4.29Å; P116-E121 HydrophobicContact CG-CG 3.88Å
117S71.2Confident62.9Low46 Ų4699.4 Ų99.432%0.32256%0.563SS.*PPolyproline II helixtrans-51.6148.7171.558.90000109.2Q115 G119 R120 E121 E368Q115-S117 PolarHBondContact O-N 2.8Å; S117-G119 PolarHBondContact O-N 3.12Å; S117-R120 WeakPolarHBondContact O-CA 3.25Å; S117-R120 WeakPolarHBondContact O-CB 3.24Å; S117-R120 PolarHBondContact O-N 3.29Å; S117-R120 WeakPolarHBondContact OG-CB 3.47Å; S117-R120 PolarHBondContact OG-N 2.88Å; S117-E121 PolarHBondContact O-N 3.03Å; S117-E368 WeakPolarHBondContact CB-OE1 3.32Å; S117-E368 PolarHBondContact OG-OE1 3.47Å
118K73.6Confident65Low137 Ų13795 Ų9560%0.59654%0.537SS*.Hα-helixtrans-51.9-31.6174.8-70.4-177.4176.91800112L122K118-L122 WeakPolarHBondContact O-CG 3.31Å; K118-L122 PolarHBondContact O-N 3.35Å; K118-L122 VanDerWaalsContact O-N 3.13Å
119G74.2Confident66.9Low1 Ų188.7 Ų88.71%0.0151%0.512CS..Hα-helixtrans-61.7-43.717200000113.3S117 L122 I123S117-G119 PolarHBondContact O-N 3.12Å; G119-L122 PolarHBondContact O-N 2.96Å; G119-I123 WeakPolarHBondContact O-CD1 3.43Å; G119-I123 VanDerWaalsContact O-CG1 3.25Å; G119-I123 WeakPolarHBondContact O-CG1 3.37Å; G119-I123 PolarHBondContact O-N 2.91Å
120R78.7Confident69.2Low163 Ų16386.3 Ų86.362%0.61549%0.486SS*.Hα-helixtrans-72.4-30.5179.2-163.2166.1-176.8177.7-1.2113.3P116 S117 T124P116-R120 HydrophobicContact CB-CB 4.06Å; P116-R120 HydrophobicContact CB-CG 4.28Å; S117-R120 WeakPolarHBondContact O-CA 3.25Å; S117-R120 WeakPolarHBondContact O-CB 3.24Å; S117-R120 PolarHBondContact O-N 3.29Å; S117-R120 WeakPolarHBondContact OG-CB 3.47Å; S117-R120 PolarHBondContact OG-N 2.88Å; R120-T124 WeakPolarHBondContact O-CB 3.3Å; R120-T124 PolarHBondContact O-N 3.37Å; R120-T124 PolarHBondContact O-OG1 3.45Å
121E81.9Confident72Confident97 Ų9783.8 Ų83.845%0.45348%0.477SS..Hα-helixtrans-63.7-46.7168.9-67.1-176.5168.400111.4P116 S117 I123 T124 L125P116-E121 HydrophobicContact CB-CG 4.29Å; P116-E121 HydrophobicContact CG-CG 3.88Å; S117-E121 PolarHBondContact O-N 3.03Å; E121-I123 PolarHBondContact O-N 3.3Å; E121-T124 PolarHBondContact O-N 3.12Å; E121-L125 WeakPolarHBondContact O-CG 3.45Å; E121-L125 PolarHBondContact O-N 3.14Å
122L83Confident74.5Confident79 Ų7988.4 Ų88.441%0.41447%0.47SS..Hα-helixtrans-62.7-42.2176.5-70.3171.2000112.1K118 G119 T124 L125 V126 L372K118-L122 WeakPolarHBondContact O-CG 3.31Å; K118-L122 PolarHBondContact O-N 3.35Å; K118-L122 VanDerWaalsContact O-N 3.13Å; G119-L122 PolarHBondContact O-N 2.96Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-T124 PolarHBondContact O-N 2.87Å; L122-L125 PolarHBondContact O-N 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.35Å; L122-V126 PolarHBondContact O-N 3.31Å; L122-L372 HydrophobicContact CB-CD1 4.1Å; L122-L372 HydrophobicContact CB-CD2 4.19Å; L122-L372 HydrophobicContact CD1-CD2 4.25Å
123I84.9Confident76.6Confident18 Ų1885.3 Ų85.39%0.09244%0.44CS..Hα-helixtrans-58.4-45.3173.9-73.7163.6000110.7G119 E121 L125 V126 A127 E368 E371 L372 M375G119-I123 WeakPolarHBondContact O-CD1 3.43Å; G119-I123 VanDerWaalsContact O-CG1 3.25Å; G119-I123 WeakPolarHBondContact O-CG1 3.37Å; G119-I123 PolarHBondContact O-N 2.91Å; E121-I123 PolarHBondContact O-N 3.3Å; I123-L125 VanDerWaalsContact C-N 3.33Å; I123-L125 PolarHBondContact O-N 3.45Å; I123-V126 PolarHBondContact O-N 3.45Å; I123-A127 VanDerWaalsContact O-CB 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.32Å; I123-A127 PolarHBondContact O-N 3.39Å; I123-E368 HydrophobicContact CD1-CB 4.05Å; I123-E368 HydrophobicContact CD1-CG 4.37Å; I123-E371 HydrophobicContact CD1-CB 4.29Å; I123-E371 HydrophobicContact CD1-CG 4.46Å; I123-L372 HydrophobicContact CG1-CB 4.4Å; I123-L372 HydrophobicContact CG1-CD1 4.34Å; I123-M375 HydrophobicContact CB-CE 3.79Å; I123-M375 HydrophobicContact CG1-CE 3.58Å; I123-M375 HydrophobicContact CG2-CE 3.4Å; I123-M375 HydrophobicContact CG2-SD 4.23Å
124T85.1Confident79.1Confident97 Ų9781.3 Ų81.360%0.59542%0.421SS*.Hα-helixtrans-63.2-40.2178.7-56.10000111.7R120 E121 L122 G128R120-T124 WeakPolarHBondContact O-CB 3.3Å; R120-T124 PolarHBondContact O-N 3.37Å; R120-T124 PolarHBondContact O-OG1 3.45Å; E121-T124 PolarHBondContact O-N 3.12Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-T124 PolarHBondContact O-N 2.87Å; T124-G128 PolarHBondContact O-N 3.39Å
125L87.4Confident81.3Confident122 Ų12281.7 Ų81.764%0.63941%0.405SS*.Hα-helixtrans-66.4-45.1176.8-71.7172.5000112.2E121 L122 I123 G128 A129E121-L125 WeakPolarHBondContact O-CG 3.45Å; E121-L125 PolarHBondContact O-N 3.14Å; L122-L125 PolarHBondContact O-N 3.26Å; I123-L125 VanDerWaalsContact C-N 3.33Å; I123-L125 PolarHBondContact O-N 3.45Å; L125-G128 PolarHBondContact O-N 3.49Å; L125-A129 PolarHBondContact O-N 2.92Å
126V86.4Confident83.3Confident20 Ų2076 Ų7612%0.12138%0.383CS..Hα-helixtrans-67.6-40.7178.6176.80000110.8L122 I123 G128 A129 Q130 L372 M375 L376L122-V126 WeakPolarHBondContact O-CG2 3.35Å; L122-V126 PolarHBondContact O-N 3.31Å; I123-V126 PolarHBondContact O-N 3.45Å; V126-G128 VanDerWaalsContact C-N 3.3Å; V126-G128 PolarHBondContact O-N 3.48Å; V126-A129 PolarHBondContact O-N 2.93Å; V126-A129 VanDerWaalsContact O-N 3.14Å; V126-Q130 WeakPolarHBondContact O-CB 3.46Å; V126-Q130 PolarHBondContact O-N 3.08Å; V126-L372 HydrophobicContact CB-CD1 4.16Å; V126-L372 HydrophobicContact CG2-CD1 3.61Å; V126-M375 HydrophobicContact CG1-CB 3.64Å; V126-L376 HydrophobicContact CG1-CD2 4.18Å; V126-L376 HydrophobicContact CG1-CG 4.45Å; V126-L376 HydrophobicContact CG2-CD2 3.99Å
127A85.2Confident84.9Confident40 Ų4074.4 Ų74.433%0.33138%0.378SS..Hα-helixtrans-60.8-40.1173.800000112I123 Q130 R131 M375I123-A127 VanDerWaalsContact O-CB 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.32Å; I123-A127 PolarHBondContact O-N 3.39Å; A127-Q130 PolarHBondContact O-N 3.17Å; A127-R131 PolarHBondContact O-N 3.4Å; A127-M375 HydrophobicContact CB-SD 4.29Å
128G84.9Confident85.8Confident30 Ų3077.9 Ų77.931%0.30939%0.388SS..Hα-helixtrans-69-31.3174.100000113.8T124 L125 V126 R132T124-G128 PolarHBondContact O-N 3.39Å; L125-G128 PolarHBondContact O-N 3.49Å; V126-G128 VanDerWaalsContact C-N 3.3Å; V126-G128 PolarHBondContact O-N 3.48Å; G128-R132 WeakPolarHBondContact O-CG 3.33Å; G128-R132 PolarHBondContact O-N 3Å; G128-R132 PolarHBondContact O-NE 3.24Å; G128-R132 VanDerWaalsContact O-NE 3.12Å
129A86.6Confident86.7Confident28 Ų2875.1 Ų75.123%0.23138%0.382CS..Hα-helixtrans-71.4-43172.200000111.5L125 V126 R132 L133 L379L125-A129 PolarHBondContact O-N 2.92Å; V126-A129 PolarHBondContact O-N 2.93Å; V126-A129 VanDerWaalsContact O-N 3.14Å; A129-R132 PolarHBondContact O-N 3.02Å; A129-L133 WeakPolarHBondContact O-CB 3.37Å; A129-L133 PolarHBondContact O-N 2.99Å; A129-L379 HydrophobicContact CB-CD1 4.14Å; A129-L379 HydrophobicContact CB-CD2 4.31Å
130Q89.4Confident87.5Confident38 Ų3875.9 Ų75.918%0.17839%0.386CS..Hα-helixtrans-60.5-48.9177.7-178.8175.3-13.100111.4V126 A127 R132 L133 E134 L379 L382V126-Q130 WeakPolarHBondContact O-CB 3.46Å; V126-Q130 PolarHBondContact O-N 3.08Å; A127-Q130 PolarHBondContact O-N 3.17Å; Q130-R132 PolarHBondContact O-N 3.16Å; Q130-L133 PolarHBondContact O-N 2.85Å; Q130-E134 WeakPolarHBondContact O-CB 3.3Å; Q130-E134 PolarHBondContact O-N 2.84Å; Q130-L379 HydrophobicContact CB-CD1 4.27Å; Q130-L382 HydrophobicContact CG-CD1 3.77Å
131R90.6Very high87.9Confident177 Ų17771.7 Ų71.767%0.66838%0.381SS*.Hα-helixtrans-60.1-45.9178-173.9179.8-66.7153.40.1112.1A127 L133 E134 D135A127-R131 PolarHBondContact O-N 3.4Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 2.85Å; R131-E134 PolarHBondContact O-N 2.98Å; R131-D135 VanDerWaalsContact O-CG 3.29Å; R131-D135 PolarHBondContact O-N 3.43Å
132R88.6Confident88.5Confident171 Ų17171.9 Ų71.965%0.64538%0.382SS*.Hα-helixtrans-64.7-37.5178.6-76.2-175.3-67.7154.2-2.4112.5G128 A129 Q130 T136G128-R132 WeakPolarHBondContact O-CG 3.33Å; G128-R132 PolarHBondContact O-N 3Å; G128-R132 PolarHBondContact O-NE 3.24Å; G128-R132 VanDerWaalsContact O-NE 3.12Å; A129-R132 PolarHBondContact O-N 3.02Å; Q130-R132 PolarHBondContact O-N 3.16Å; R132-T136 WeakPolarHBondContact O-CB 3.24Å; R132-T136 PolarHBondContact O-N 3.23Å; R132-T136 PolarHBondContact O-OG1 2.95Å
133L88.9Confident88.8Confident40 Ų4072.2 Ų72.221%0.20938%0.382CS..Hα-helixtrans-70.5-37.7177.1-171.659.2000111.4A129 Q130 R131 T136 G137 L379 L382 A383 A386A129-L133 WeakPolarHBondContact O-CB 3.37Å; A129-L133 PolarHBondContact O-N 2.99Å; Q130-L133 PolarHBondContact O-N 2.85Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 2.85Å; L133-T136 WeakPolarHBondContact O-CB 3.06Å; L133-T136 PolarHBondContact O-N 3.41Å; L133-G137 PolarHBondContact O-N 3.23Å; L133-L379 HydrophobicContact CB-CD1 4.24Å; L133-L379 HydrophobicContact CD2-CD1 3.64Å; L133-L379 HydrophobicContact CD2-CG 4.35Å; L133-L382 HydrophobicContact CD2-CB 3.77Å; L133-L382 HydrophobicContact CG-CB 4.08Å; L133-A383 HydrophobicContact CD2-CB 3.91Å; L133-A386 HydrophobicContact CD1-CB 4.41Å
134E90.5Very high89Confident82 Ų8271.4 Ų71.438%0.38338%0.377SS..Hα-helixtrans-63.1-44.7173-167.9-165.5146.100111.7Q130 R131 T136 G137 K138 L382Q130-E134 WeakPolarHBondContact O-CB 3.3Å; Q130-E134 PolarHBondContact O-N 2.84Å; R131-E134 PolarHBondContact O-N 2.98Å; E134-T136 VanDerWaalsContact C-N 3.29Å; E134-T136 PolarHBondContact O-N 3.27Å; E134-G137 PolarHBondContact O-N 3.08Å; E134-K138 PolarHBondContact O-N 3.13Å; E134-K138 IonicContact OE1-NZ 3.67Å; E134-K138 PolarHBondContact OE1-NZ 2.79Å; E134-L382 HydrophobicContact CB-CD1 4.42Å
135D92.4Very high89.2Confident81 Ų8171.9 Ų71.943%0.43337%0.373SS..Hα-helixtrans-62.6-39.3175-69.1-24.8000111.1R131 K138 V139R131-D135 VanDerWaalsContact O-CG 3.29Å; R131-D135 PolarHBondContact O-N 3.43Å; D135-K138 PolarHBondContact O-N 3.12Å; D135-V139 WeakPolarHBondContact O-CG2 3.3Å; D135-V139 PolarHBondContact O-N 2.84Å; D135-V139 VanDerWaalsContact O-N 3.15Å
136T89.9Confident89.5Confident68 Ų6869.9 Ų69.942%0.41736%0.36SS..Hα-helixtrans-64.1-42.7174.1-56.90000111R132 L133 E134 K138 V139 L140R132-T136 WeakPolarHBondContact O-CB 3.24Å; R132-T136 PolarHBondContact O-N 3.23Å; R132-T136 PolarHBondContact O-OG1 2.95Å; L133-T136 WeakPolarHBondContact O-CB 3.06Å; L133-T136 PolarHBondContact O-N 3.41Å; E134-T136 VanDerWaalsContact C-N 3.29Å; E134-T136 PolarHBondContact O-N 3.27Å; T136-K138 VanDerWaalsContact C-N 3.32Å; T136-K138 PolarHBondContact O-N 2.87Å; T136-V139 PolarHBondContact O-N 3.28Å; T136-V139 VanDerWaalsContact O-N 3.16Å; T136-L140 HydrophobicContact CG2-CD1 4.11Å; T136-L140 HydrophobicContact CG2-CG 4.27Å; T136-L140 WeakPolarHBondContact O-CG 3.27Å; T136-L140 PolarHBondContact O-N 3.35Å
137G89.1Confident89.6Confident27 Ų2770.8 Ų70.828%0.27836%0.363SS..Hα-helixtrans-59.1-39.7175.800000112.9L133 E134 L140 S141L133-G137 PolarHBondContact O-N 3.23Å; E134-G137 PolarHBondContact O-N 3.08Å; G137-L140 PolarHBondContact O-N 2.84Å; G137-S141 WeakPolarHBondContact O-CB 3.47Å; G137-S141 PolarHBondContact O-N 3.07Å
138K90.8Very high89.7Confident120 Ų12071.8 Ų71.852%0.52236%0.362SS..Hα-helixtrans-63.6-42.9174.1-70.4170.3-172154.80112E134 D135 T136 H142E134-K138 PolarHBondContact O-N 3.13Å; E134-K138 IonicContact OE1-NZ 3.67Å; E134-K138 PolarHBondContact OE1-NZ 2.79Å; D135-K138 PolarHBondContact O-N 3.12Å; T136-K138 VanDerWaalsContact C-N 3.32Å; T136-K138 PolarHBondContact O-N 2.87Å; K138-H142 WeakPolarHBondContact O-CB 3.34Å; K138-H142 PolarHBondContact O-N 3.24Å
139V93Very high90Very high78 Ų7874 Ų7447%0.47337%0.367SS..Hα-helixtrans-66.1-42.9176.8174.20000111D135 T136 H142 Q143D135-V139 WeakPolarHBondContact O-CG2 3.3Å; D135-V139 PolarHBondContact O-N 2.84Å; D135-V139 VanDerWaalsContact O-N 3.15Å; T136-V139 PolarHBondContact O-N 3.28Å; T136-V139 VanDerWaalsContact O-N 3.16Å; V139-H142 PolarHBondContact O-N 2.81Å; V139-Q143 HydrophobicContact CG1-CG 4.43Å; V139-Q143 WeakPolarHBondContact O-CG 3.25Å; V139-Q143 PolarHBondContact O-N 2.85Å
140L90.1Very high90.1Very high18 Ų1877.7 Ų77.79%0.09438%0.381CS..Hα-helixtrans-60.3-49.3175.8-72.9174.7000110.6T136 G137 H142 Q143 G144 A386 E389 L390 Q393T136-L140 HydrophobicContact CG2-CD1 4.11Å; T136-L140 HydrophobicContact CG2-CG 4.27Å; T136-L140 WeakPolarHBondContact O-CG 3.27Å; T136-L140 PolarHBondContact O-N 3.35Å; G137-L140 PolarHBondContact O-N 2.84Å; L140-H142 VanDerWaalsContact C-N 3.28Å; L140-H142 PolarHBondContact O-N 3.03Å; L140-Q143 WeakPolarHBondContact O-CB 3.36Å; L140-Q143 PolarHBondContact O-N 3.25Å; L140-Q143 VanDerWaalsContact O-N 3.07Å; L140-G144 PolarHBondContact O-N 3.36Å; L140-A386 HydrophobicContact CD1-CB 3.92Å; L140-E389 HydrophobicContact CB-CG 4.2Å; L140-L390 HydrophobicContact CD1-CD1 4.43Å; L140-L390 HydrophobicContact CD1-CD2 4.46Å; L140-L390 HydrophobicContact CD1-CG 4.11Å; L140-L390 HydrophobicContact CD2-CD2 3.59Å; L140-L390 HydrophobicContact CD2-CG 4.14Å; L140-Q393 PolarHBondContact O-NE2 2.95Å
141S87.8Confident90.1Very high75 Ų7578.5 Ų78.552%0.52439%0.385SS..Hα-helixtrans-57-42.3176.5176.90000112.3G137 G144 E145G137-S141 WeakPolarHBondContact O-CB 3.47Å; G137-S141 PolarHBondContact O-N 3.07Å; S141-G144 PolarHBondContact O-N 3.15Å; S141-E145 PolarHBondContact O-N 3Å
142H93.3Very high90Very high101 Ų10176.3 Ų76.347%0.46838%0.382SS..Hα-helixtrans-66.1-39.4175.5-175.460.7000112.8K138 V139 L140 G144 E145 Q146K138-H142 WeakPolarHBondContact O-CB 3.34Å; K138-H142 PolarHBondContact O-N 3.24Å; V139-H142 PolarHBondContact O-N 2.81Å; L140-H142 VanDerWaalsContact C-N 3.28Å; L140-H142 PolarHBondContact O-N 3.03Å; H142-G144 VanDerWaalsContact C-N 3.3Å; H142-G144 PolarHBondContact O-N 3.03Å; H142-E145 IonicContact ND1-OE2 3.23Å; H142-E145 WeakPolarHBondContact O-CB 3.5Å; H142-E145 PolarHBondContact O-N 3.32Å; H142-Q146 WeakPolarHBondContact O-CG 3.42Å; H142-Q146 PolarHBondContact O-N 3.31Å
143Q89.9Confident90Very high86 Ų8669.7 Ų69.740%0.40237%0.368SS..Hα-helixtrans-63.1-38.9173.7-74.4178.813.700111.6V139 L140 E145 Q146 F147V139-Q143 HydrophobicContact CG1-CG 4.43Å; V139-Q143 WeakPolarHBondContact O-CG 3.25Å; V139-Q143 PolarHBondContact O-N 2.85Å; L140-Q143 WeakPolarHBondContact O-CB 3.36Å; L140-Q143 PolarHBondContact O-N 3.25Å; L140-Q143 VanDerWaalsContact O-N 3.07Å; Q143-E145 VanDerWaalsContact C-N 3.33Å; Q143-E145 PolarHBondContact O-N 2.81Å; Q143-Q146 WeakPolarHBondContact O-CB 3.43Å; Q143-Q146 PolarHBondContact O-N 3Å; Q143-Q146 VanDerWaalsContact O-N 3.11Å; Q143-F147 WeakPolarHBondContact O-CD2 3.35Å; Q143-F147 PolarHBondContact O-N 2.87Å
144G88.5Confident90Very high0 Ų068.7 Ų68.70%036%0.362CS..Hα-helixtrans-56.6-46.9172.600000112L140 S141 H142 Q146 F147 D148 R392 Q393L140-G144 PolarHBondContact O-N 3.36Å; S141-G144 PolarHBondContact O-N 3.15Å; H142-G144 VanDerWaalsContact C-N 3.3Å; H142-G144 PolarHBondContact O-N 3.03Å; G144-Q146 VanDerWaalsContact C-N 3.32Å; G144-Q146 PolarHBondContact O-N 3.33Å; G144-F147 PolarHBondContact O-N 3.34Å; G144-D148 VanDerWaalsContact O-CG 3.28Å; G144-D148 PolarHBondContact O-N 3.21Å; G144-R392 PolarHBondContact O-NH2 2.93Å; G144-Q393 VanDerWaalsContact N-NE2 3.16Å
145E90.8Very high89.9Confident108 Ų10870.6 Ų70.651%0.50537%0.372SS..Hα-helixtrans-63.4-36.1175.2-171.2-173.6-171.700112.1S141 H142 Q143 D148 N149S141-E145 PolarHBondContact O-N 3Å; H142-E145 IonicContact ND1-OE2 3.23Å; H142-E145 WeakPolarHBondContact O-CB 3.5Å; H142-E145 PolarHBondContact O-N 3.32Å; Q143-E145 VanDerWaalsContact C-N 3.33Å; Q143-E145 PolarHBondContact O-N 2.81Å; E145-D148 PolarHBondContact O-N 2.97Å; E145-N149 PolarHBondContact O-N 3.48Å; E145-N149 PolarHBondContact O-ND2 2.88Å
146Q92.8Very high89.8Confident80 Ų8073.4 Ų73.437%0.37438%0.38SS..Hα-helixtrans-64.1-41.6173.8-66.6-58.8-59.900111.8H142 Q143 G144 N149 M150H142-Q146 WeakPolarHBondContact O-CG 3.42Å; H142-Q146 PolarHBondContact O-N 3.31Å; Q143-Q146 WeakPolarHBondContact O-CB 3.43Å; Q143-Q146 PolarHBondContact O-N 3Å; Q143-Q146 VanDerWaalsContact O-N 3.11Å; G144-Q146 VanDerWaalsContact C-N 3.32Å; G144-Q146 PolarHBondContact O-N 3.33Å; Q146-N149 PolarHBondContact O-N 2.71Å; Q146-M150 WeakPolarHBondContact O-CG 3.38Å; Q146-M150 PolarHBondContact O-N 2.83Å
147F87.9Confident89.8Confident39 Ų3973.9 Ų73.917%0.17138%0.379CS..Hα-helixtrans-63.8-41.1175.6-72.2-56000112.2Q143 G144 N149 M150 M151 Q393 V396 L397 L400Q143-F147 WeakPolarHBondContact O-CD2 3.35Å; Q143-F147 PolarHBondContact O-N 2.87Å; G144-F147 PolarHBondContact O-N 3.34Å; F147-N149 VanDerWaalsContact C-N 3.34Å; F147-N149 PolarHBondContact O-N 3.22Å; F147-M150 PolarHBondContact O-N 2.82Å; F147-M151 WeakPolarHBondContact O-CB 3.4Å; F147-M151 PolarHBondContact O-N 3.1Å; F147-Q393 HydrophobicContact CD2-CB 4.24Å; F147-Q393 HydrophobicContact CD2-CG 3.94Å; F147-Q393 HydrophobicContact CE2-CB 4.17Å; F147-Q393 HydrophobicContact CE2-CG 4.16Å; F147-V396 HydrophobicContact CB-CG1 3.84Å; F147-L397 HydrophobicContact CE1-CD1 4.16Å; F147-L397 HydrophobicContact CE1-CD2 4.19Å; F147-L397 HydrophobicContact CE1-CG 3.88Å; F147-L397 HydrophobicContact CE2-CD1 4.42Å; F147-L397 HydrophobicContact CZ-CD1 3.77Å; F147-L397 HydrophobicContact CZ-CG 4Å; F147-L400 HydrophobicContact CB-CD1 4.27Å; F147-L400 HydrophobicContact CD1-CD1 3.69Å; F147-L400 HydrophobicContact CG-CD1 4.4Å
148D88.4Confident89.7Confident61 Ų6175.3 Ų75.333%0.32638%0.38SS..Hα-helixtrans-62.2-42.2176.7-62-25.1000111.2G144 E145 M151 Q152 R392G144-D148 VanDerWaalsContact O-CG 3.28Å; G144-D148 PolarHBondContact O-N 3.21Å; E145-D148 PolarHBondContact O-N 2.97Å; D148-M151 PolarHBondContact O-N 3.46Å; D148-Q152 PolarHBondContact O-N 2.98Å; D148-R392 IonicContact OD1-NH1 2.69Å; D148-R392 PolarHBondContact OD1-NH1 3.26Å; D148-R392 IonicContact OD2-NH1 3.62Å; D148-R392 IonicContact OD2-NH2 2.78Å
149N90.3Very high89.6Confident76 Ų7673 Ų7341%0.40638%0.379SS..Hα-helixtrans-64.4-40.3174.8-75.2-52.5000112.6E145 Q146 F147 M151 Q152 G153E145-N149 PolarHBondContact O-N 3.48Å; E145-N149 PolarHBondContact O-ND2 2.88Å; Q146-N149 PolarHBondContact O-N 2.71Å; F147-N149 VanDerWaalsContact C-N 3.34Å; F147-N149 PolarHBondContact O-N 3.22Å; N149-M151 VanDerWaalsContact C-N 3.34Å; N149-Q152 PolarHBondContact O-N 3.08Å; N149-G153 PolarHBondContact O-N 3.46Å
150M89.3Confident89.5Confident105 Ų10573.6 Ų73.652%0.51738%0.38SS..Hα-helixtrans-63.9-41175-72.9179.9-162.900111.5Q146 F147 G153 L154 L400Q146-M150 WeakPolarHBondContact O-CG 3.38Å; Q146-M150 PolarHBondContact O-N 2.83Å; F147-M150 PolarHBondContact O-N 2.82Å; M150-G153 PolarHBondContact O-N 2.94Å; M150-L154 WeakPolarHBondContact O-CB 3.48Å; M150-L154 PolarHBondContact O-N 3.05Å; M150-L400 HydrophobicContact CB-CD1 4.42Å; M150-L400 HydrophobicContact CB-CD2 4.23Å
151M88.4Confident89.4Confident56 Ų5673.8 Ų73.828%0.27638%0.381SS..Hα-helixtrans-62.2-46.1177.9-174.8170.45900110.7F147 D148 N149 G153 L154 E155 V396 L400F147-M151 WeakPolarHBondContact O-CB 3.4Å; F147-M151 PolarHBondContact O-N 3.1Å; D148-M151 PolarHBondContact O-N 3.46Å; N149-M151 VanDerWaalsContact C-N 3.34Å; M151-G153 VanDerWaalsContact C-N 3.33Å; M151-G153 PolarHBondContact O-N 2.74Å; M151-L154 PolarHBondContact O-N 2.94Å; M151-E155 WeakPolarHBondContact O-CG 3.39Å; M151-E155 PolarHBondContact O-N 2.78Å; M151-V396 HydrophobicContact SD-CG1 4.43Å; M151-L400 HydrophobicContact CB-CD2 3.94Å
152Q89.1Confident89.3Confident130 Ų13072.3 Ų72.361%0.60738%0.377SS*.Hα-helixtrans-61-40.9174.2-171.5-17939.900112.3D148 N149 L154 K156D148-Q152 PolarHBondContact O-N 2.98Å; N149-Q152 PolarHBondContact O-N 3.08Å; Q152-L154 VanDerWaalsContact C-N 3.32Å; Q152-L154 PolarHBondContact O-N 3.2Å; Q152-K156 PolarHBondContact O-N 2.73Å; Q152-K156 VanDerWaalsContact O-N 3.1Å
153G89.6Confident89.1Confident33 Ų3371.4 Ų71.434%0.3438%0.379SS..Hα-helixtrans-62.8-39.3175.400000112.6N149 M150 M151 K156 I157N149-G153 PolarHBondContact O-N 3.46Å; M150-G153 PolarHBondContact O-N 2.94Å; M151-G153 VanDerWaalsContact C-N 3.33Å; M151-G153 PolarHBondContact O-N 2.74Å; G153-K156 WeakPolarHBondContact O-CB 3.39Å; G153-K156 PolarHBondContact O-N 3.37Å; G153-I157 WeakPolarHBondContact O-CG1 3.46Å; G153-I157 PolarHBondContact O-N 3.21Å
154L89.1Confident88.8Confident18 Ų1868.9 Ų68.99%0.09437%0.373CS..Hα-helixtrans-72.4-39.2179.6-172.359.2000112.3M150 M151 Q152 K156 I157 D158 L400 S403 T404 A407M150-L154 WeakPolarHBondContact O-CB 3.48Å; M150-L154 PolarHBondContact O-N 3.05Å; M151-L154 PolarHBondContact O-N 2.94Å; Q152-L154 VanDerWaalsContact C-N 3.32Å; Q152-L154 PolarHBondContact O-N 3.2Å; L154-K156 VanDerWaalsContact C-N 3.27Å; L154-K156 PolarHBondContact O-N 3.3Å; L154-I157 PolarHBondContact O-N 3Å; L154-D158 PolarHBondContact O-N 2.92Å; L154-L400 HydrophobicContact CD2-CD2 3.91Å; L154-S403 VanDerWaalsContact CD2-CB 3.41Å; L154-S403 VanDerWaalsContact CD2-OG 3.29Å; L154-S403 WeakPolarHBondContact CD2-OG 3.42Å; L154-S403 WeakPolarHBondContact CG-OG 3.34Å; L154-T404 WeakPolarHBondContact CD2-OG1 3.35Å; L154-A407 HydrophobicContact CD1-CB 4.02Å
155E88.1Confident88.7Confident123 Ų12370.9 Ų70.958%0.57538%0.384SS*.Hα-helixtrans-59.3-39.4170.5-74-178.9168.100111.8M151 D158 S159M151-E155 WeakPolarHBondContact O-CG 3.39Å; M151-E155 PolarHBondContact O-N 2.78Å; E155-D158 PolarHBondContact O-N 3.41Å; E155-S159 WeakPolarHBondContact O-CB 3.47Å; E155-S159 PolarHBondContact O-N 2.95Å
156K90.7Very high88.3Confident139 Ų13972.2 Ų72.260%0.60439%0.388SS*.Hα-helixtrans-64.3-43.9174.2-174.7-176.2175.7-173.10111.8Q152 G153 L154 D158 S159 D160Q152-K156 PolarHBondContact O-N 2.73Å; Q152-K156 VanDerWaalsContact O-N 3.1Å; G153-K156 WeakPolarHBondContact O-CB 3.39Å; G153-K156 PolarHBondContact O-N 3.37Å; L154-K156 VanDerWaalsContact C-N 3.27Å; L154-K156 PolarHBondContact O-N 3.3Å; K156-D158 VanDerWaalsContact C-N 3.34Å; K156-S159 WeakPolarHBondContact O-CB 3.45Å; K156-S159 PolarHBondContact O-N 2.99Å; K156-D160 WeakPolarHBondContact O-CB 3.44Å; K156-D160 VanDerWaalsContact O-CG 3.3Å; K156-D160 PolarHBondContact O-N 3.5Å
157I89.4Confident87.8Confident79 Ų7973 Ų7341%0.40539%0.394SS..Hα-helixtrans-61.4-44.3176.1-69.7165.7000110.5G153 L154 S159 D160 L161 A407G153-I157 WeakPolarHBondContact O-CG1 3.46Å; G153-I157 PolarHBondContact O-N 3.21Å; L154-I157 PolarHBondContact O-N 3Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 3.29Å; I157-D160 PolarHBondContact O-N 2.81Å; I157-L161 HydrophobicContact CG2-CD1 3.84Å; I157-L161 HydrophobicContact CG2-CG 4.25Å; I157-L161 WeakPolarHBondContact O-CB 2.93Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 2.83Å; I157-A407 HydrophobicContact CG2-CB 4.44Å
158D86.9Confident87.4Confident56 Ų5672.1 Ų72.130%0.29939%0.391SS..Hα-helixtrans-61.6-41.9177.4-16660.7000111.5L154 E155 K156 L161 G162L154-D158 PolarHBondContact O-N 2.92Å; E155-D158 PolarHBondContact O-N 3.41Å; K156-D158 VanDerWaalsContact C-N 3.34Å; D158-L161 PolarHBondContact O-N 3.04Å; D158-G162 PolarHBondContact O-N 3.44Å
159S89Confident87Confident72 Ų7271.4 Ų71.450%0.50339%0.39SS..Hα-helixtrans-60.8-47.3172.5175.20000112.4E155 K156 I157 L161 G162 V163E155-S159 WeakPolarHBondContact O-CB 3.47Å; E155-S159 PolarHBondContact O-N 2.95Å; K156-S159 WeakPolarHBondContact O-CB 3.45Å; K156-S159 PolarHBondContact O-N 2.99Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 3.29Å; S159-L161 VanDerWaalsContact C-N 3.31Å; S159-L161 PolarHBondContact O-N 2.95Å; S159-G162 WeakPolarHBondContact O-CA 3.45Å; S159-G162 PolarHBondContact O-N 3.37Å; S159-G162 VanDerWaalsContact O-N 3.09Å; S159-V163 PolarHBondContact O-N 3.39Å
160D89.9Confident86.4Confident91 Ų9172.9 Ų72.949%0.48740%0.395SS..Hα-helixtrans-63.8-38.1178.9-72.6-16.5000111.2K156 I157 V163 A164K156-D160 WeakPolarHBondContact O-CB 3.44Å; K156-D160 VanDerWaalsContact O-CG 3.3Å; K156-D160 PolarHBondContact O-N 3.5Å; I157-D160 PolarHBondContact O-N 2.81Å; D160-V163 PolarHBondContact O-N 3.15Å; D160-A164 PolarHBondContact O-N 2.87Å
161L88.4Confident85.5Confident21 Ų2173.1 Ų73.111%0.1140%0.398CS..Hα-helixtrans-64.2-39.8171.5-70.3171.6000111.2I157 D158 S159 V163 A164 D165 A407 H410 I411 H414I157-L161 HydrophobicContact CG2-CD1 3.84Å; I157-L161 HydrophobicContact CG2-CG 4.25Å; I157-L161 WeakPolarHBondContact O-CB 2.93Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 2.83Å; D158-L161 PolarHBondContact O-N 3.04Å; S159-L161 VanDerWaalsContact C-N 3.31Å; S159-L161 PolarHBondContact O-N 2.95Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 3.46Å; L161-A164 WeakPolarHBondContact O-CB 3.33Å; L161-A164 PolarHBondContact O-N 3.26Å; L161-A164 VanDerWaalsContact O-N 3.15Å; L161-D165 PolarHBondContact O-N 2.78Å; L161-A407 HydrophobicContact CD1-CB 4.08Å; L161-H410 HydrophobicContact CD1-CB 4.06Å; L161-I411 HydrophobicContact CD1-CD1 4.23Å; L161-I411 HydrophobicContact CD1-CG1 3.81Å; L161-I411 HydrophobicContact CD2-CG1 3.56Å; L161-I411 HydrophobicContact CG-CG1 4.33Å; L161-H414 PolarHBondContact O-CE1 3.48Å
162G85.9Confident84.5Confident44 Ų4474.4 Ų74.445%0.45440%0.403SS..Hα-helixtrans-57.8-41.8172.400000113D158 S159 D165 K166D158-G162 PolarHBondContact O-N 3.44Å; S159-G162 WeakPolarHBondContact O-CA 3.45Å; S159-G162 PolarHBondContact O-N 3.37Å; S159-G162 VanDerWaalsContact O-N 3.09Å; G162-D165 PolarHBondContact O-N 3.33Å; G162-K166 PolarHBondContact O-N 3.28Å
163V88Confident83Confident83 Ų8372.3 Ų72.350%0.50340%0.403SS..Hα-helixtrans-65.1-43.1173.8177.70000111.1S159 D160 L161 D165 K166 L167S159-V163 PolarHBondContact O-N 3.39Å; D160-V163 PolarHBondContact O-N 3.15Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 3.46Å; V163-D165 VanDerWaalsContact C-N 3.34Å; V163-D165 PolarHBondContact O-N 2.97Å; V163-K166 WeakPolarHBondContact O-CB 3.47Å; V163-K166 PolarHBondContact O-N 2.8Å; V163-L167 HydrophobicContact CG1-CD1 4.28Å; V163-L167 WeakPolarHBondContact O-CG 3.46Å; V163-L167 PolarHBondContact O-N 2.8Å
164A85Confident81.4Confident33 Ų3372.8 Ų72.827%0.27340%0.4SS..Hα-helixtrans-62-39.1177.100000112.5D160 L161 K166 L167 L168D160-A164 PolarHBondContact O-N 2.87Å; L161-A164 WeakPolarHBondContact O-CB 3.33Å; L161-A164 PolarHBondContact O-N 3.26Å; L161-A164 VanDerWaalsContact O-N 3.15Å; A164-K166 VanDerWaalsContact C-N 3.31Å; A164-K166 PolarHBondContact O-N 2.69Å; A164-L167 PolarHBondContact O-N 3.25Å; A164-L168 WeakPolarHBondContact O-CB 3.35Å; A164-L168 WeakPolarHBondContact O-CG 3.32Å; A164-L168 PolarHBondContact O-N 2.87Å
165D84.9Confident79.7Confident42 Ų4278.1 Ų78.123%0.22544%0.439CS..Hα-helixtrans-63.7-38.1176.8-161.559000111.3L161 G162 V163 S169 K413 H414 R417L161-D165 PolarHBondContact O-N 2.78Å; G162-D165 PolarHBondContact O-N 3.33Å; V163-D165 VanDerWaalsContact C-N 3.34Å; V163-D165 PolarHBondContact O-N 2.97Å; D165-S169 WeakPolarHBondContact O-CB 3.36Å; D165-S169 PolarHBondContact O-N 2.79Å; D165-S169 PolarHBondContact O-OG 3.35Å; D165-K413 IonicContact OD1-NZ 3.81Å; D165-H414 WeakPolarHBondContact CB-NE2 3.48Å; D165-H414 IonicContact OD1-CD2 2.8Å; D165-H414 IonicContact OD1-NE2 3.32Å; D165-H414 PolarHBondContact OD1-NE2 2.94Å; D165-R417 IonicContact OD1-CZ 3.4Å; D165-R417 IonicContact OD1-NH1 3.56Å; D165-R417 PolarHBondContact OD1-NH1 3Å; D165-R417 IonicContact OD2-NH1 3.95Å
166K84.2Confident78.4Confident136 Ų13681.4 Ų81.459%0.59145%0.446SS*.Hα-helixtrans-64.9-47.3174.5-173-179.8176.8-174.60111.6G162 V163 A164 S169 E170G162-K166 PolarHBondContact O-N 3.28Å; V163-K166 WeakPolarHBondContact O-CB 3.47Å; V163-K166 PolarHBondContact O-N 2.8Å; A164-K166 VanDerWaalsContact C-N 3.31Å; A164-K166 PolarHBondContact O-N 2.69Å; K166-S169 WeakPolarHBondContact O-CB 3.27Å; K166-S169 PolarHBondContact O-N 2.84Å; K166-E170 WeakPolarHBondContact CE-OE1 3.19Å; K166-E170 WeakPolarHBondContact O-CG 3.36Å; K166-E170 PolarHBondContact O-N 3.22Å
167L81.9Confident76.4Confident95 Ų9582 Ų8250%0.49745%0.445SS..Hα-helixtrans-63.6-43.7178.3-69174.8000112.2V163 A164 S169 E170 L171V163-L167 HydrophobicContact CG1-CD1 4.28Å; V163-L167 WeakPolarHBondContact O-CG 3.46Å; V163-L167 PolarHBondContact O-N 2.8Å; A164-L167 PolarHBondContact O-N 3.25Å; L167-S169 PolarHBondContact O-N 3.07Å; L167-E170 PolarHBondContact O-N 2.81Å; L167-L171 WeakPolarHBondContact O-CB 3.22Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.39Å; L167-L171 PolarHBondContact O-N 2.96Å
168L78.9Confident74.7Confident21 Ų2183.6 Ų83.611%0.1146%0.46CS..Hα-helixtrans-62.2-35174.7-74173000111.8A164 L171 E172 H414 R417 M418 L421A164-L168 WeakPolarHBondContact O-CB 3.35Å; A164-L168 WeakPolarHBondContact O-CG 3.32Å; A164-L168 PolarHBondContact O-N 2.87Å; L168-L171 PolarHBondContact O-N 2.84Å; L168-E172 WeakPolarHBondContact O-CB 3.49Å; L168-E172 WeakPolarHBondContact O-CG 3.39Å; L168-E172 PolarHBondContact O-N 2.91Å; L168-H414 HydrophobicContact CD1-CB 3.71Å; L168-R417 HydrophobicContact CD1-CB 4.37Å; L168-M418 HydrophobicContact CD2-CB 4.48Å; L168-L421 HydrophobicContact CD2-CD1 3.97Å
169S79.3Confident73.1Confident46 Ų4689 Ų8932%0.32248%0.482SS..Hα-helixtrans-69.6-40.3175.8-56.20000112.1D165 K166 L167 L171 E172 S173 R417D165-S169 WeakPolarHBondContact O-CB 3.36Å; D165-S169 PolarHBondContact O-N 2.79Å; D165-S169 PolarHBondContact O-OG 3.35Å; K166-S169 WeakPolarHBondContact O-CB 3.27Å; K166-S169 PolarHBondContact O-N 2.84Å; L167-S169 PolarHBondContact O-N 3.07Å; S169-L171 VanDerWaalsContact C-N 3.3Å; S169-L171 PolarHBondContact O-N 2.98Å; S169-E172 PolarHBondContact O-N 3.47Å; S169-S173 PolarHBondContact O-N 2.81Å; S169-S173 VanDerWaalsContact O-N 3.11Å; S169-S173 PolarHBondContact O-OG 2.81Å; S169-S173 VanDerWaalsContact O-OG 3.05Å; S169-R417 PolarHBondContact OG-NH1 2.98Å; S169-R417 PolarHBondContact OG-NH2 3.18Å
170E77.6Confident71.4Confident108 Ų10888.9 Ų88.951%0.50549%0.491SS..Hα-helixtrans-64.3-34.5173.4-71.3177.8-170.800112.2K166 L167 S173K166-E170 WeakPolarHBondContact CE-OE1 3.19Å; K166-E170 WeakPolarHBondContact O-CG 3.36Å; K166-E170 PolarHBondContact O-N 3.22Å; L167-E170 PolarHBondContact O-N 2.81Å; E170-S173 CarbonylContact O-C 3.5Å
171L70.8Confident69.6Low110 Ų11093.9 Ų93.958%0.57651%0.508SS*.Hα-helixtrans-75.8-31.2175.2-71.2170.2000113.7L167 L168 S169 S173 P174 L421L167-L171 WeakPolarHBondContact O-CB 3.22Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.39Å; L167-L171 PolarHBondContact O-N 2.96Å; L168-L171 PolarHBondContact O-N 2.84Å; S169-L171 VanDerWaalsContact C-N 3.3Å; S169-L171 PolarHBondContact O-N 2.98Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-P174 VanDerWaalsContact O-CD 3.29Å; L171-P174 WeakPolarHBondContact O-CD 3.41Å; L171-P174 VanDerWaalsContact O-CG 3.25Å; L171-P174 WeakPolarHBondContact O-CG 3.35Å; L171-L421 HydrophobicContact CB-CD1 4.15Å
172E67.9Low67.5Low82 Ų82100.6 Ų100.638%0.38354%0.544SS..Hα-helixtrans-75.4-21.6174.1-79.4175.9-171.200112.6L168 S169 R417 L421L168-E172 WeakPolarHBondContact O-CB 3.49Å; L168-E172 WeakPolarHBondContact O-CG 3.39Å; L168-E172 PolarHBondContact O-N 2.91Å; S169-E172 PolarHBondContact O-N 3.47Å; E172-R417 WeakPolarHBondContact OE1-CB 3.34Å; E172-R417 WeakPolarHBondContact OE1-CG 3.39Å; E172-R417 IonicContact OE1-CZ 3.96Å; E172-R417 IonicContact OE1-NE 3.05Å; E172-R417 PolarHBondContact OE1-NE 2.88Å; E172-R417 IonicContact OE1-NH2 3.48Å; E172-R417 PolarHBondContact OE1-NH2 3.23Å; E172-R417 IonicContact OE2-CZ 3.16Å; E172-R417 IonicContact OE2-NE 3.94Å; E172-R417 PolarHBondContact OE2-NE 3.42Å; E172-R417 IonicContact OE2-NH2 2.7Å; E172-R417 PolarHBondContact OE2-NH2 2.86Å; E172-L421 HydrophobicContact CG-CD1 4.03Å; E172-L421 HydrophobicContact CG-CD2 3.7Å; E172-L421 HydrophobicContact CG-CG 4.08Å
173S57.5Low65.9Low86 Ų86104.5 Ų104.560%0.60156%0.561SS**SBendtrans-124.464.8173.765.50000113.3S169 E170 L171 S175S169-S173 PolarHBondContact O-N 2.81Å; S169-S173 VanDerWaalsContact O-N 3.11Å; S169-S173 PolarHBondContact O-OG 2.81Å; S169-S173 VanDerWaalsContact O-OG 3.05Å; E170-S173 CarbonylContact O-C 3.5Å; L171-S173 VanDerWaalsContact C-N 3.32Å; S173-S175 PolarHBondContact O-N 2.57Å
174P56.5Low63.4Low44 Ų44112.4 Ų112.429%0.28658%0.582SS.*  trans-70117.5174.5-7.423.8000109.1L171 W176 W177L171-P174 VanDerWaalsContact O-CD 3.29Å; L171-P174 WeakPolarHBondContact O-CD 3.41Å; L171-P174 VanDerWaalsContact O-CG 3.25Å; L171-P174 WeakPolarHBondContact O-CG 3.35Å; P174-W176 HydrophobicContact CB-CG 4.44Å; P174-W176 PolarHBondContact O-N 3.09Å; P174-W177 HydrophobicContact CB-CB 4.42Å; P174-W177 PolarHBondContact O-N 3.43Å
175S51.9Low61Low130 Ų130119.6 Ų119.691%0.90961%0.607SS**THydrogen-bonded Turntrans-67.1-2.417749.20000114.3S173S173-S175 PolarHBondContact O-N 2.57Å
176W61.5Low58.7Low192 Ų192123.9 Ų123.973%0.72764%0.635SS**THydrogen-bonded Turntrans-113.13.2-174.759-82.2000114.5P174P174-W176 HydrophobicContact CB-CG 4.44Å; P174-W176 PolarHBondContact O-N 3.09Å
177W49.3Very low56.1Low151 Ų151126 Ų12657%0.57265%0.647SS**  trans-99.6125-179.5-143-94.2000112.4P174 F179P174-W177 HydrophobicContact CB-CB 4.42Å; P174-W177 PolarHBondContact O-N 3.43Å; W177-F179 VanDerWaalsContact C-N 3.34Å; W177-F179 PolarHBondContact O-N 3.07Å
178P53.1Low53.6Low113 Ų113130.4 Ų130.473%0.73467%0.665SS**THydrogen-bonded Turntrans-878.6-170.234.6-34.7000115
179F54.3Low51.2Low170 Ų170138.1 Ų138.175%0.74670%0.701SS**THydrogen-bonded Turntrans-109.613.7179.2-63.9-70.7000114.4W177 K181W177-F179 VanDerWaalsContact C-N 3.34Å; W177-F179 PolarHBondContact O-N 3.07Å; F179-K181 PolarHBondContact O-N 3.26Å
180G51.8Low49Very low68 Ų68140.9 Ų140.970%0.70173%0.726SS**  trans-75.358.9-17800000114.9
181K53.5Low46.7Very low196 Ų196145.1 Ų145.185%0.85274%0.743SS**  trans-158.184.8156.4-67.8-159.6-176.5-176.80110.7F179F179-K181 PolarHBondContact O-N 3.26Å
182L44.5Very low44.7Very low163 Ų163144.6 Ų144.685%0.85375%0.754SS**  trans-135.7123.1152.4-129.884.6000109.4W184L182-W184 PolarHBondContact O-N 3.02Å
183P51.3Low43.7Very low126 Ų126149.5 Ų149.582%0.81878%0.777SS**  trans-85.199.8-176.932.7-28.7000108.9K185P183-K185 VanDerWaalsContact C-N 3.28Å; P183-K185 PolarHBondContact O-N 3.42Å
184W34.7Very low42.8Very low248 Ų248152.7 Ų152.794%0.93979%0.788SS**  trans-79.785.4171.3-137.6-45.7000110.1L182L182-W184 PolarHBondContact O-N 3.02Å
185K34.5Very low41.9Very low184 Ų184155.1 Ų155.180%0.881%0.811SS**  trans46.393.1140.5-123.2172.7-173.3-179.40117.3P183P183-K185 VanDerWaalsContact C-N 3.28Å; P183-K185 PolarHBondContact O-N 3.42Å
186T37.5Very low41.1Very low133 Ų133154.7 Ų154.782%0.81681%0.808SS**  trans-60.4142.9149.2-38.30000110.6
187Q29.5Very low40.3Very low179 Ų179154.9 Ų154.984%0.83681%0.814SS**  trans105.993.7144.8-149.9177.78.100119.7
188Q29.8Very low39.7Very low188 Ų188152.6 Ų152.688%0.87983%0.827SS**  trans167.2115.3134-97.1177.620.500105
189E29.2Very low38.8Very low184 Ų184152.1 Ų152.186%0.8683%0.833SS**  -147.8119.357.4-75170.2142.600111.1
190A31.5Very low37.8Very low103 Ų103149.1 Ų149.185%0.85184%0.839SS**  trans-104.893.3149.600000106.3
191K31Very low37Very low198 Ų198150.5 Ų150.586%0.86184%0.844SS**  trans162.493.3151-104.5-175.6165.2-179.50110.1
192A28.9Very low35.9Very low98 Ų98148.8 Ų148.881%0.8184%0.843SS**  trans-148.947.6148.400000108.5
193E45.1Very low35.3Very low186 Ų186146.4 Ų146.487%0.86984%0.84SS**  trans-73.8138.4142.4-77.8-163.6138.200106.6
194D39.4Very low34.2Very low153 Ų153145.3 Ų145.382%0.81884%0.841SS**SBendtrans81.260.5-175.5-64.3-29.2000118
195A36.9Very low33.9Very low95 Ų95137.1 Ų137.179%0.78583%0.834SS**SBendtrans-159.151.5147.600000113.8
196S35Very low33.9Very low121 Ų121137.7 Ų137.785%0.84684%0.836SS**  trans-153.636.9161.8560000113.1
197K44.8Very low33.5Very low196 Ų196137.2 Ų137.285%0.85283%0.833SS**SBendtrans-107.579.2158.1-81.3-179.6179168.50109
198A37.8Very low33.9Very low102 Ų102133.8 Ų133.884%0.84383%0.829SS**SBendtrans169.460.2154.500000111.8
199A34.3Very low34.4Very low104 Ų104127.6 Ų127.686%0.8681%0.807SS**SBendtrans-163.645.1162.800000113.5
200A32.2Very low35.4Very low106 Ų106130.8 Ų130.888%0.87681%0.81SS**SBendtrans-162.438.5165.400000112.6
201A36.1Very low36.6Very low97 Ų97127 Ų12780%0.80278%0.778SS**  trans-135.662.117800000111.2
202I30.9Very low38.6Very low161 Ų161125.5 Ų125.583%0.82677%0.771SS**SBendtrans-140117.4153.9-54.8-179.4000108.4
203S30.7Very low41.2Very low113 Ų113124.3 Ų124.379%0.7975%0.754SS**  trans80.845.6158.5730000120.8G205S203-G205 PolarHBondContact O-N 2.78Å; S203-G205 VanDerWaalsContact O-N 3.16Å
204A28.6Very low43Very low103 Ų103119 Ų11985%0.85173%0.731SS**  trans-79.881.9144.300000108.3K206A204-K206 PolarHBondContact O-N 3.23Å
205G28.5Very low45.2Very low76 Ų76112.6 Ų112.678%0.78470%0.699SS**  trans-64.576.8172.800000111S203 V207S203-G205 PolarHBondContact O-N 2.78Å; S203-G205 VanDerWaalsContact O-N 3.16Å; G205-V207 PolarHBondContact O-N 3.28Å
206K33.7Very low47.7Very low195 Ų195111.3 Ų111.385%0.84868%0.684SS**  trans-78.378.7166.3-167.2172.1-175.6176.10108.2A204A204-K206 PolarHBondContact O-N 3.23Å
207V30.7Very low50.4Low124 Ų124105.6 Ų105.675%0.75264%0.644SS**  trans-122.464.3150.9-168.40000106.8G205 S209G205-V207 PolarHBondContact O-N 3.28Å; V207-S209 PolarHBondContact O-N 3.31Å
208S36.8Very low52.6Low106 Ų10698.2 Ų98.274%0.74162%0.616SS**  trans-70.777.8154.2-176.50000106.5R210S208-R210 PolarHBondContact O-N 2.82Å
209S40.6Very low55.2Low59 Ų5993.4 Ų93.441%0.41358%0.576SS.*  trans-54.8124.915356.60000105.4V207 S211V207-S209 PolarHBondContact O-N 3.31Å; S209-S211 PolarHBondContact O-N 2.93Å
210R49.8Very low58Low250 Ų25088.5 Ų88.594%0.94354%0.536SS*.  trans-58.973.1168.4-74.8179.1171.8166.6-3.5109.1S208 K212S208-R210 PolarHBondContact O-N 2.82Å; R210-K212 PolarHBondContact O-N 3.07Å
211S56.4Low60.9Low25 Ų2583.8 Ų83.818%0.17550%0.496CS..  trans-79.1103.4176-174.90000105.2S209 V213 L237S209-S211 PolarHBondContact O-N 2.93Å; S211-V213 PolarHBondContact O-N 2.66Å; S211-L237 VanDerWaalsContact CB-CD2 3.49Å; S211-L237 VanDerWaalsContact OG-CB 3.3Å; S211-L237 WeakPolarHBondContact OG-CB 3.34Å; S211-L237 WeakPolarHBondContact OG-CD2 3.48Å
212K73.6Confident63.5Low165 Ų16579.5 Ų79.572%0.71746%0.46SS*.  trans-59.7113.5-178.8-174.4176.5179.8179.80108R210 I214 V238R210-K212 PolarHBondContact O-N 3.07Å; K212-I214 PolarHBondContact O-N 3.26Å; K212-V238 HydrophobicContact CB-CG2 4.25Å
213V82.8Confident66.3Low74 Ų7477.6 Ų77.645%0.44845%0.446SS..EExtended strand (participates in β ladder)trans-65.9127.5173.2179.30000107.7S211 L235 L237S211-V213 PolarHBondContact O-N 2.66Å; V213-L235 HydrophobicContact CG1-CD2 3.7Å; V213-L235 HydrophobicContact CG2-CD2 4.48Å; V213-L237 HydrophobicContact CG2-CD2 4.21Å; V213-L237 HydrophobicContact CG2-CG 4.46Å
214I83.9Confident68.4Low75 Ų7574.3 Ų74.339%0.38543%0.43SS..EExtended strand (participates in β ladder)trans-93.3-43.4179.1-59.2169.3000109.8K212 V236 V238 V297K212-I214 PolarHBondContact O-N 3.26Å; I214-V236 WeakPolarHBondContact CA-O 3.43Å; I214-V236 WeakPolarHBondContact CB-O 3.46Å; I214-V236 PolarHBondContact N-O 2.7Å; I214-V238 HydrophobicContact CD1-CB 4.43Å; I214-V238 HydrophobicContact CD1-CG2 3.88Å; I214-V238 HydrophobicContact CG1-CG2 4.08Å; I214-V297 HydrophobicContact CB-CG1 4.38Å; I214-V297 HydrophobicContact CD1-CG1 4.32Å; I214-V297 HydrophobicContact CG2-CG1 3.71Å; I214-V297 HydrophobicContact CG2-CG2 3.97Å
215A85.5Confident70.3Confident17 Ų1773.5 Ų73.514%0.1443%0.432CS..EExtended strand (participates in β ladder)trans-146143.7176.700000110.7I217 V236A215-I217 HydrophobicContact CB-CD1 4.29Å; A215-I217 HydrophobicContact CB-CG1 4.48Å; A215-V236 HydrophobicContact CB-CB 4.25Å; A215-V236 HydrophobicContact CB-CG2 4.42Å; A215-V236 PolarHBondContact N-O 2.69Å; A215-V236 PolarHBondContact O-N 3.02Å
216S89.9Confident72.4Confident68 Ų6873.3 Ų73.348%0.47641%0.413SS..EExtended strand (participates in β ladder)trans-120.5110.7170.1-177.20000107.8L235S216-L235 WeakPolarHBondContact OG-CD2 3.38Å
217I91Very high74.3Confident1 Ų167.1 Ų67.11%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-111.2110.7-175.5-55-54.1000108.7A215 A219 C233 L234 S288 K290 E293 A294A215-I217 HydrophobicContact CB-CD1 4.29Å; A215-I217 HydrophobicContact CB-CG1 4.48Å; I217-A219 PolarHBondContact O-N 3.3Å; I217-C233 CarbonylContact O-C 3.58Å; I217-C233 VanDerWaalsContact O-CA 3.31Å; I217-C233 WeakPolarHBondContact O-CA 3.28Å; I217-C233 WeakPolarHBondContact O-CB 2.86Å; I217-L234 HydrophobicContact CB-CB 4.49Å; I217-L234 PolarHBondContact N-O 2.94Å; I217-L234 PolarHBondContact O-N 3.07Å; I217-S288 WeakPolarHBondContact CG2-OG 3.18Å; I217-K290 HydrophobicContact CG2-CB 4.05Å; I217-E293 HydrophobicContact CD1-CB 4.03Å; I217-A294 HydrophobicContact CD1-CB 4.18Å; I217-A294 HydrophobicContact CG1-CB 3.57Å
218P90.9Very high76.8Confident41 Ų4164.3 Ų64.327%0.26638%0.375SS..EExtended strand (participates in β ladder)trans-57.1133168.7-21.433.8000108.8H96 E100 S288H96-P218 PolarHBondContact CE1-O 3.36Å; H96-P218 PolarHBondContact NE2-O 3.23Å; E100-P218 WeakPolarHBondContact OE1-CB 3.35Å; P218-S288 WeakPolarHBondContact O-CB 3.44Å; P218-S288 PolarHBondContact O-OG 2.65Å
219A92.5Very high79.1Confident1 Ų159.3 Ų59.31%0.00834%0.34CS..EExtended strand (participates in β ladder)trans-152.5153.4-174.700000111.2I217 V221 G232 F286 L287I217-A219 PolarHBondContact O-N 3.3Å; A219-V221 HydrophobicContact CB-CG1 4.32Å; A219-G232 PolarHBondContact N-O 2.88Å; A219-G232 CarbonylContact O-C 3.54Å; A219-G232 VanDerWaalsContact O-C 3.23Å; A219-G232 WeakPolarHBondContact O-CA 3.48Å; A219-G232 PolarHBondContact O-N 3.02Å; A219-F286 HydrophobicContact CB-CB 4.48Å; A219-F286 HydrophobicContact CB-CD1 4.45Å; A219-L287 WeakPolarHBondContact CA-O 3.22Å
220V92.1Very high81.4Confident1 Ų162.5 Ų62.51%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-89120.8165.7-162.30000107.9N92 V93 H96 L229 K230 L287N92-V220 HydrophobicContact CB-CG1 4.21Å; V93-V220 HydrophobicContact CG2-CG1 4.4Å; V93-V220 HydrophobicContact CG2-CG2 4.45Å; H96-V220 HydrophobicContact CB-CG2 3.64Å; V220-L229 HydrophobicContact CB-CD2 4.38Å; V220-L229 VanDerWaalsContact CG1-C 3.48Å; V220-L229 HydrophobicContact CG1-CB 3.52Å; V220-L229 HydrophobicContact CG1-CD2 4.04Å; V220-L229 HydrophobicContact CG1-CG 4.3Å; V220-K230 CarbonylContact C-O 3.59Å; V220-K230 WeakPolarHBondContact CA-O 3.41Å; V220-K230 WeakPolarHBondContact CG1-O 3.49Å; V220-L287 PolarHBondContact N-O 3.42Å; V220-L287 PolarHBondContact O-N 3.03Å
221V93.3Very high83.4Confident7 Ų753 Ų534%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-111.7140.4-170.4-570000111.1A219 K230 V243 L251 R285 F286A219-V221 HydrophobicContact CB-CG1 4.32Å; V221-K230 WeakPolarHBondContact CG2-O 3.49Å; V221-K230 PolarHBondContact N-O 3.49Å; V221-K230 PolarHBondContact O-N 3.5Å; V221-V243 HydrophobicContact CB-CG1 4.43Å; V221-V243 HydrophobicContact CG1-CG1 4.25Å; V221-L251 HydrophobicContact CG2-CD1 4.31Å; V221-R285 VanDerWaalsContact CA-O 3.31Å; V221-R285 WeakPolarHBondContact CA-O 3.46Å; V221-F286 HydrophobicContact CG1-CD1 3.62Å; V221-F286 HydrophobicContact CG1-CE1 3.87Å
222S92Very high85.1Confident7 Ų752.5 Ų52.55%0.04932%0.315CS..EExtended strand (participates in β ladder)trans-133146.9165.776.50000111.1D226 D228 Y284 R285S222-D226 WeakPolarHBondContact CB-O 3.46Å; S222-D226 PolarHBondContact OG-O 3.02Å; S222-D228 WeakPolarHBondContact CB-O 3.26Å; S222-Y284 WeakPolarHBondContact O-CA 3.36Å; S222-R285 PolarHBondContact N-O 3.5Å; S222-R285 PolarHBondContact O-N 3.27Å
223K89.8Confident86Confident122 Ų12245.6 Ų45.653%0.5329%0.288SS..EExtended strand (participates in β ladder)trans-101118.4-179.7-175.8-177.1-173.8172.90109.4D226 C283 Y284K223-D226 WeakPolarHBondContact O-CB 3.14Å; K223-D226 PolarHBondContact O-N 3.48Å; K223-C283 CarbonylContact C-O 3.54Å; K223-Y284 HydrophobicContact CB-CD1 4.24Å; K223-Y284 HydrophobicContact CB-CE1 3.79Å; K223-Y284 HydrophobicContact CD-CE1 4.45Å; K223-Y284 HydrophobicContact CD-CE2 4.34Å; K223-Y284 WeakPolarHBondContact CD-OH 3.47Å; K223-Y284 HydrophobicContact CG-CE1 4.02Å; K223-Y284 HydrophobicContact CG-CE2 3.95Å
224G74.3Confident86.5Confident44 Ų4442 Ų4245%0.45427%0.266SS..THydrogen-bonded Turntrans4791.3163.700000116.3D226 C283G224-D226 PolarHBondContact O-N 2.82Å; G224-C283 WeakPolarHBondContact CA-O 3.31Å; G224-C283 PolarHBondContact N-O 2.99Å
225G67.3Low86.9Confident86 Ų8639.2 Ų39.289%0.88725%0.252SS*.THydrogen-bonded Turntrans65.1-10.217500000115.4
226D74.3Confident87.1Confident71 Ų7138.4 Ų38.438%0.3825%0.245SC..  trans-69133.6177.7-163.9-8.5000110.8S222 K223 G224 D228S222-D226 WeakPolarHBondContact CB-O 3.46Å; S222-D226 PolarHBondContact OG-O 3.02Å; K223-D226 WeakPolarHBondContact O-CB 3.14Å; K223-D226 PolarHBondContact O-N 3.48Å; G224-D226 PolarHBondContact O-N 2.82Å; D226-D228 VanDerWaalsContact C-N 3.26Å; D226-D228 WeakPolarHBondContact OD1-CB 3.22Å; D226-D228 PolarHBondContact OD1-N 3.4Å
227S73.8Confident87.1Confident66 Ų6635.4 Ų35.446%0.46222%0.224SC..  trans-81.5-8.6174.9-64.10000112.1V89 L229V89-S227 WeakPolarHBondContact CG2-O 3.41Å; S227-L229 PolarHBondContact O-N 3.16Å
228D82.8Confident86.8Confident64 Ų6439 Ų3934%0.34225%0.245SC..  trans-78.986.1178.4-73.3-13.3000111.9N86 S222 D226 K230N86-D228 PolarHBondContact ND2-OD1 2.86Å; S222-D228 WeakPolarHBondContact CB-O 3.26Å; D226-D228 VanDerWaalsContact C-N 3.26Å; D226-D228 WeakPolarHBondContact OD1-CB 3.22Å; D226-D228 PolarHBondContact OD1-N 3.4Å; D228-K230 PolarHBondContact O-N 2.78Å
229L84Confident86.4Confident2 Ų239.3 Ų39.31%0.0125%0.249CC..  trans-72.2110167.6-82.3173.3000110.5V89 N92 V93 V220 S227V89-L229 HydrophobicContact CG1-CB 3.92Å; V89-L229 HydrophobicContact CG1-CD1 3.97Å; V89-L229 HydrophobicContact CG1-CG 4.4Å; V89-L229 HydrophobicContact CG2-CB 4.32Å; N92-L229 PolarHBondContact ND2-O 3.29Å; V93-L229 HydrophobicContact CG2-CD1 3.73Å; V220-L229 HydrophobicContact CB-CD2 4.38Å; V220-L229 VanDerWaalsContact CG1-C 3.48Å; V220-L229 HydrophobicContact CG1-CB 3.52Å; V220-L229 HydrophobicContact CG1-CD2 4.04Å; V220-L229 HydrophobicContact CG1-CG 4.3Å; S227-L229 PolarHBondContact O-N 3.16Å
230K90.3Very high86.3Confident126 Ų12639.2 Ų39.255%0.54825%0.248SC..EExtended strand (participates in β ladder)trans-110.3145.2179.8-65.4-179.1-176.8175.20111V220 V221 D228V220-K230 CarbonylContact C-O 3.59Å; V220-K230 WeakPolarHBondContact CA-O 3.41Å; V220-K230 WeakPolarHBondContact CG1-O 3.49Å; V221-K230 WeakPolarHBondContact CG2-O 3.49Å; V221-K230 PolarHBondContact N-O 3.49Å; V221-K230 PolarHBondContact O-N 3.5Å; D228-K230 PolarHBondContact O-N 2.78Å
231P91.6Very high86.3Confident51 Ų5139.2 Ų39.233%0.33125%0.248SC..EExtended strand (participates in β ladder)trans-65.5146.2176.7-1630.9000111.1N92 T246N92-P231 HydrophobicContact CB-CG 4.22Å; P231-T246 HydrophobicContact CB-CG2 3.64Å; P231-T246 WeakPolarHBondContact O-CG2 3.38Å
232G91.9Very high86.3Confident13 Ų1339.3 Ų39.313%0.13425%0.248CC..EExtended strand (participates in β ladder)trans-176.1-156.9-178.500000111.3A219 R244A219-G232 PolarHBondContact N-O 2.88Å; A219-G232 CarbonylContact O-C 3.54Å; A219-G232 VanDerWaalsContact O-C 3.23Å; A219-G232 WeakPolarHBondContact O-CA 3.48Å; A219-G232 PolarHBondContact O-N 3.02Å; G232-R244 CarbonylContact C-O 3.51Å; G232-R244 WeakPolarHBondContact CA-O 3.19Å
233C92.1Very high86.4Confident20 Ų2039 Ų3914%0.13525%0.246CC..EExtended strand (participates in β ladder)trans-147.4152.217369.20000113.1I217 R244I217-C233 CarbonylContact O-C 3.58Å; I217-C233 VanDerWaalsContact O-CA 3.31Å; I217-C233 WeakPolarHBondContact O-CA 3.28Å; I217-C233 WeakPolarHBondContact O-CB 2.86Å; C233-R244 PolarHBondContact N-O 2.73Å; C233-R244 PolarHBondContact O-N 2.85Å
234L93.3Very high86.5Confident0 Ų036.8 Ų36.80%023%0.234CC..EExtended strand (participates in β ladder)trans-100.6118.9168.517464.2000108.5I217 V236 L241 I270 F286 M291I217-L234 HydrophobicContact CB-CB 4.49Å; I217-L234 PolarHBondContact N-O 2.94Å; I217-L234 PolarHBondContact O-N 3.07Å; L234-V236 HydrophobicContact CD2-CG2 4.48Å; L234-V236 HydrophobicContact CG-CG2 4.33Å; L234-L241 HydrophobicContact CD1-CB 4.39Å; L234-I270 HydrophobicContact CD2-CD1 4Å; L234-F286 HydrophobicContact CB-CD1 3.85Å; L234-F286 HydrophobicContact CB-CE1 3.97Å; L234-F286 HydrophobicContact CD1-CD1 4.32Å; L234-F286 HydrophobicContact CD1-CE1 3.81Å; L234-F286 HydrophobicContact CD1-CZ 3.94Å; L234-F286 HydrophobicContact CD2-CD1 4.44Å; L234-F286 HydrophobicContact CG-CD1 4.43Å; L234-F286 HydrophobicContact CG-CE1 4.37Å; L234-M291 HydrophobicContact CD2-CE 4.35Å; L234-M291 HydrophobicContact CD2-SD 4.45Å
235L91.9Very high87.2Confident15 Ų1536.4 Ų36.48%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-101122.9171.8-75164.5000109.4V213 S216 L237 L241 E242 R244V213-L235 HydrophobicContact CG1-CD2 3.7Å; V213-L235 HydrophobicContact CG2-CD2 4.48Å; S216-L235 WeakPolarHBondContact OG-CD2 3.38Å; L235-L237 HydrophobicContact CB-CD1 4.11Å; L235-L241 WeakPolarHBondContact O-CA 3.16Å; L235-E242 HydrophobicContact CB-CB 4.03Å; L235-E242 HydrophobicContact CD1-CB 4.46Å; L235-E242 PolarHBondContact N-O 3.3Å; L235-E242 PolarHBondContact O-N 3.43Å; L235-R244 VanDerWaalsContact CD1-CD 3.42Å; L235-R244 HydrophobicContact CD1-CG 3.97Å
236V90.1Very high88.1Confident0 Ų037.4 Ų37.40%021%0.211CC..EExtended strand (participates in β ladder)trans-99.3110.9174.2-1740000107.8I214 A215 L234 L241 A294 V297 L298I214-V236 WeakPolarHBondContact CA-O 3.43Å; I214-V236 WeakPolarHBondContact CB-O 3.46Å; I214-V236 PolarHBondContact N-O 2.7Å; A215-V236 HydrophobicContact CB-CB 4.25Å; A215-V236 HydrophobicContact CB-CG2 4.42Å; A215-V236 PolarHBondContact N-O 2.69Å; A215-V236 PolarHBondContact O-N 3.02Å; L234-V236 HydrophobicContact CD2-CG2 4.48Å; L234-V236 HydrophobicContact CG-CG2 4.33Å; V236-L241 HydrophobicContact CB-CD2 4.05Å; V236-L241 HydrophobicContact CG1-CD2 3.77Å; V236-L241 HydrophobicContact CG2-CD2 3.94Å; V236-A294 HydrophobicContact CG2-CB 4.26Å; V236-V297 HydrophobicContact CG1-CB 4.38Å; V236-V297 HydrophobicContact CG1-CG1 3.59Å; V236-L298 HydrophobicContact CG2-CD2 4.39Å
237L89.3Confident88.6Confident6 Ų637.1 Ų37.13%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-103.9174.8176.2-52.895.8000110.5S211 V213 L235 S239 S240 E242 Q301S211-L237 VanDerWaalsContact CB-CD2 3.49Å; S211-L237 VanDerWaalsContact OG-CB 3.3Å; S211-L237 WeakPolarHBondContact OG-CB 3.34Å; S211-L237 WeakPolarHBondContact OG-CD2 3.48Å; V213-L237 HydrophobicContact CG2-CD2 4.21Å; V213-L237 HydrophobicContact CG2-CG 4.46Å; L235-L237 HydrophobicContact CB-CD1 4.11Å; L237-S239 VanDerWaalsContact C-N 3.31Å; L237-S239 PolarHBondContact O-N 3.3Å; L237-S240 WeakPolarHBondContact CA-O 3.41Å; L237-S240 VanDerWaalsContact CB-O 3.32Å; L237-S240 WeakPolarHBondContact CB-O 3.49Å; L237-S240 WeakPolarHBondContact CD1-O 3.35Å; L237-S240 PolarHBondContact N-O 3.06Å; L237-E242 HydrophobicContact CD1-CB 3.94Å; L237-E242 HydrophobicContact CD1-CG 3.64Å; L237-Q301 PolarHBondContact O-NE2 2.86Å; L237-Q301 PolarHBondContact O-OE1 2.9Å
238V84.4Confident88.8Confident75 Ų7537.9 Ų37.946%0.45522%0.218SC..SBendtrans-66.4-35.4177.8-178.50000112K212 I214K212-V238 HydrophobicContact CB-CG2 4.25Å; I214-V238 HydrophobicContact CD1-CB 4.43Å; I214-V238 HydrophobicContact CD1-CG2 3.88Å; I214-V238 HydrophobicContact CG1-CG2 4.08Å
239S84.3Confident89Confident48 Ų4840.5 Ų40.534%0.33623%0.229SC..SBendtrans-111.5-15-172.6590000114.3L237 R256L237-S239 VanDerWaalsContact C-N 3.31Å; L237-S239 PolarHBondContact O-N 3.3Å; S239-R256 WeakPolarHBondContact O-CB 3.33Å; S239-R256 PolarHBondContact O-N 3.41Å
240S89.8Confident89.3Confident0 Ų044.7 Ų44.70%025%0.251CS..EExtended strand (participates in β ladder)trans-153.8161-169.955.70000112.3L237 F254L237-S240 WeakPolarHBondContact CA-O 3.41Å; L237-S240 VanDerWaalsContact CB-O 3.32Å; L237-S240 WeakPolarHBondContact CB-O 3.49Å; L237-S240 WeakPolarHBondContact CD1-O 3.35Å; L237-S240 PolarHBondContact N-O 3.06Å; S240-F254 CarbonylContact C-O 3.53Å; S240-F254 WeakPolarHBondContact CA-O 3.36Å; S240-F254 WeakPolarHBondContact CB-O 3.38Å
241L92.1Very high89.3Confident0 Ų042.3 Ų42.30%024%0.243CC..EExtended strand (participates in β ladder)trans-107.9129.6164.5-60.4-179.6000108.7L234 L235 V236 F254 I259 I262 V272 L298 Y302L234-L241 HydrophobicContact CD1-CB 4.39Å; L235-L241 WeakPolarHBondContact O-CA 3.16Å; V236-L241 HydrophobicContact CB-CD2 4.05Å; V236-L241 HydrophobicContact CG1-CD2 3.77Å; V236-L241 HydrophobicContact CG2-CD2 3.94Å; L241-F254 HydrophobicContact CB-CB 4.25Å; L241-F254 HydrophobicContact CB-CD2 4.38Å; L241-F254 PolarHBondContact N-O 2.78Å; L241-F254 PolarHBondContact O-N 2.81Å; L241-I259 HydrophobicContact CB-CD1 4.37Å; L241-I259 HydrophobicContact CD1-CD1 3.62Å; L241-I259 HydrophobicContact CG-CD1 3.89Å; L241-I262 HydrophobicContact CD1-CD1 4.14Å; L241-V272 HydrophobicContact CD1-CG1 4.41Å; L241-V272 HydrophobicContact CD1-CG2 4.29Å; L241-L298 HydrophobicContact CD1-CD2 4.01Å; L241-L298 HydrophobicContact CD2-CD2 3.92Å; L241-Y302 HydrophobicContact CD1-CE2 4.26Å; L241-Y302 HydrophobicContact CD2-CE2 4.09Å; L241-Y302 HydrophobicContact CG-CE2 4.17Å
242E93.8Very high89.3Confident10 Ų1041.6 Ų41.65%0.04724%0.235CC..EExtended strand (participates in β ladder)trans-113.9139.3177.5-72.7179.1-174.200110.7L235 L237 R244 L250 R253L235-E242 HydrophobicContact CB-CB 4.03Å; L235-E242 HydrophobicContact CD1-CB 4.46Å; L235-E242 PolarHBondContact N-O 3.3Å; L235-E242 PolarHBondContact O-N 3.43Å; L237-E242 HydrophobicContact CD1-CB 3.94Å; L237-E242 HydrophobicContact CD1-CG 3.64Å; E242-R244 IonicContact OE2-CZ 3.93Å; E242-R244 IonicContact OE2-NE 4Å; E242-R244 PolarHBondContact OE2-NE 2.79Å; E242-R244 IonicContact OE2-NH2 3.77Å; E242-R244 PolarHBondContact OE2-NH2 2.8Å; E242-L250 HydrophobicContact CB-CD1 3.78Å; E242-L250 HydrophobicContact CG-CD1 3.77Å; E242-R253 HydrophobicContact CG-CB 4.11Å; E242-R253 HydrophobicContact CG-CG 3.85Å; E242-R253 IonicContact OE1-CZ 3.8Å; E242-R253 IonicContact OE1-NE 2.65Å; E242-R253 IonicContact OE1-NH1 3.9Å; E242-R253 PolarHBondContact OE1-NH1 2.63Å
243V93.8Very high89.4Confident0 Ų044.4 Ų44.40%024%0.242CC..EExtended strand (participates in β ladder)trans-106.8124.6173.4-169.50000107.7V221 L251 H252 F254 Y284 F286V221-V243 HydrophobicContact CB-CG1 4.43Å; V221-V243 HydrophobicContact CG1-CG1 4.25Å; V243-L251 HydrophobicContact CB-CB 4.3Å; V243-L251 HydrophobicContact CG1-CB 4.2Å; V243-L251 HydrophobicContact CG1-CD1 4.18Å; V243-L251 PolarHBondContact O-N 2.86Å; V243-H252 HydrophobicContact CB-CB 4.47Å; V243-H252 HydrophobicContact CG2-CB 4.37Å; V243-H252 PolarHBondContact N-O 3.09Å; V243-H252 PolarHBondContact O-N 3.48Å; V243-F254 HydrophobicContact CG2-CD2 4.31Å; V243-F254 HydrophobicContact CG2-CE2 3.87Å; V243-Y284 HydrophobicContact CB-CD1 4.47Å; V243-Y284 HydrophobicContact CB-CE1 4.49Å; V243-Y284 HydrophobicContact CG1-CD1 3.87Å; V243-Y284 HydrophobicContact CG1-CE1 3.98Å; V243-Y284 HydrophobicContact CG2-CD1 4.22Å; V243-Y284 HydrophobicContact CG2-CG 4.19Å; V243-F286 HydrophobicContact CB-CE1 4.41Å; V243-F286 HydrophobicContact CB-CZ 4.5Å; V243-F286 HydrophobicContact CG1-CE1 3.94Å; V243-F286 HydrophobicContact CG1-CZ 4.32Å; V243-F286 HydrophobicContact CG2-CE1 3.85Å; V243-F286 HydrophobicContact CG2-CZ 3.5Å
244R91.8Very high89.4Confident75 Ų7543.5 Ų43.528%0.28324%0.236SC..EExtended strand (participates in β ladder)trans-125.8154.3176.5-55.1-168.6177.3-155.67.6112.1G232 C233 L235 E242 C248 H249 L250G232-R244 CarbonylContact C-O 3.51Å; G232-R244 WeakPolarHBondContact CA-O 3.19Å; C233-R244 PolarHBondContact N-O 2.73Å; C233-R244 PolarHBondContact O-N 2.85Å; L235-R244 VanDerWaalsContact CD1-CD 3.42Å; L235-R244 HydrophobicContact CD1-CG 3.97Å; E242-R244 IonicContact OE2-CZ 3.93Å; E242-R244 IonicContact OE2-NE 4Å; E242-R244 PolarHBondContact OE2-NE 2.79Å; E242-R244 IonicContact OE2-NH2 3.77Å; E242-R244 PolarHBondContact OE2-NH2 2.8Å; R244-C248 PolarHBondContact NH1-O 2.99Å; R244-H249 WeakPolarHBondContact CA-O 3.38Å; R244-H249 WeakPolarHBondContact CB-O 3.34Å; R244-L250 HydrophobicContact CG-CD1 4.43Å
245D89.2Confident89.2Confident37 Ų3746.5 Ų46.520%0.19825%0.25CC..EExtended strand (participates in β ladder)trans-83.4180171.168.719.5000112.1S247 C248 H249 L251D245-S247 PolarHBondContact O-N 3.4Å; D245-S247 VanDerWaalsContact OD1-C 3.23Å; D245-S247 VanDerWaalsContact OD1-CA 3.27Å; D245-S247 WeakPolarHBondContact OD1-CA 3.22Å; D245-S247 WeakPolarHBondContact OD1-CB 3.37Å; D245-S247 PolarHBondContact OD1-N 2.99Å; D245-S247 PolarHBondContact OD1-OG 2.84Å; D245-S247 PolarHBondContact OD2-OG 2.82Å; D245-C248 PolarHBondContact O-N 3.3Å; D245-C248 PolarHBondContact OD1-N 3.49Å; D245-H249 PolarHBondContact N-O 2.78Å; D245-H249 IonicContact OD1-CG 2.63Å; D245-H249 PolarHBondContact OD1-N 2.89Å; D245-H249 IonicContact OD1-ND1 2.81Å; D245-H249 WeakPolarHBondContact OD2-CB 3.31Å; D245-H249 IonicContact OD2-CG 3.43Å; D245-H249 IonicContact OD2-ND1 3.69Å; D245-L251 HydrophobicContact CB-CD1 4.1Å; D245-L251 HydrophobicContact CB-CD2 4.17Å; D245-L251 HydrophobicContact CB-CG 4.16Å
246T85.3Confident89Confident107 Ų10750.7 Ų50.766%0.65626%0.264SS*.THydrogen-bonded Turntrans-61.7-26177.149.70000114.2P231 C248P231-T246 HydrophobicContact CB-CG2 3.64Å; P231-T246 WeakPolarHBondContact O-CG2 3.38Å; T246-C248 PolarHBondContact O-N 2.75Å
247S84.6Confident88.7Confident65 Ų6557.8 Ų57.846%0.45530%0.302SS..THydrogen-bonded Turntrans-86.19.3175.440.20000113D245 H249D245-S247 PolarHBondContact O-N 3.4Å; D245-S247 VanDerWaalsContact OD1-C 3.23Å; D245-S247 VanDerWaalsContact OD1-CA 3.27Å; D245-S247 WeakPolarHBondContact OD1-CA 3.22Å; D245-S247 WeakPolarHBondContact OD1-CB 3.37Å; D245-S247 PolarHBondContact OD1-N 2.99Å; D245-S247 PolarHBondContact OD1-OG 2.84Å; D245-S247 PolarHBondContact OD2-OG 2.82Å; S247-H249 WeakPolarHBondContact CB-ND1 3.41Å; S247-H249 PolarHBondContact O-N 3.48Å; S247-H249 PolarHBondContact OG-CE1 3.3Å; S247-H249 PolarHBondContact OG-ND1 3.41Å
248C78.3Confident88.7Confident81 Ų8161.9 Ų61.955%0.54732%0.321SS..  trans62.716.6-176.9-58.40000114.7R244 D245 T246R244-C248 PolarHBondContact NH1-O 2.99Å; D245-C248 PolarHBondContact O-N 3.3Å; D245-C248 PolarHBondContact OD1-N 3.49Å; T246-C248 PolarHBondContact O-N 2.75Å
249H87.4Confident89Confident120 Ų12058.3 Ų58.356%0.55630%0.3SS*.  trans-75.4140.1171.7-60.4113.5000110.3R244 D245 S247 L251R244-H249 WeakPolarHBondContact CA-O 3.38Å; R244-H249 WeakPolarHBondContact CB-O 3.34Å; D245-H249 PolarHBondContact N-O 2.78Å; D245-H249 IonicContact OD1-CG 2.63Å; D245-H249 PolarHBondContact OD1-N 2.89Å; D245-H249 IonicContact OD1-ND1 2.81Å; D245-H249 WeakPolarHBondContact OD2-CB 3.31Å; D245-H249 IonicContact OD2-CG 3.43Å; D245-H249 IonicContact OD2-ND1 3.69Å; S247-H249 WeakPolarHBondContact CB-ND1 3.41Å; S247-H249 PolarHBondContact O-N 3.48Å; S247-H249 PolarHBondContact OG-CE1 3.3Å; S247-H249 PolarHBondContact OG-ND1 3.41Å; H249-L251 PolarHBondContact O-N 3.36Å
250L90.4Very high89.3Confident90 Ų9059.7 Ų59.747%0.47130%0.303SS..EExtended strand (participates in β ladder)trans-73.3114178.9-176.969.8000110E242 R244 H252 R253E242-L250 HydrophobicContact CB-CD1 3.78Å; E242-L250 HydrophobicContact CG-CD1 3.77Å; R244-L250 HydrophobicContact CG-CD1 4.43Å; L250-H252 WeakPolarHBondContact CD1-O 3.43Å; L250-R253 HydrophobicContact CD1-CB 4.32Å; L250-R253 HydrophobicContact CD2-CB 4.23Å
251L90.6Very high89.4Confident76 Ų7659.9 Ų59.940%0.39830%0.304SS..EExtended strand (participates in β ladder)trans-83.3-43.8175.2-64.4-179.2000111.7V221 V243 D245 H249V221-L251 HydrophobicContact CG2-CD1 4.31Å; V243-L251 HydrophobicContact CB-CB 4.3Å; V243-L251 HydrophobicContact CG1-CB 4.2Å; V243-L251 HydrophobicContact CG1-CD1 4.18Å; V243-L251 PolarHBondContact O-N 2.86Å; D245-L251 HydrophobicContact CB-CD1 4.1Å; D245-L251 HydrophobicContact CB-CD2 4.17Å; D245-L251 HydrophobicContact CB-CG 4.16Å; H249-L251 PolarHBondContact O-N 3.36Å
252H92.1Very high89.4Confident35 Ų3559.9 Ų59.916%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-158.6150.3176.5-169.263.3000110.7V243 L250 F254 Q274 I282 Y284V243-H252 HydrophobicContact CB-CB 4.47Å; V243-H252 HydrophobicContact CG2-CB 4.37Å; V243-H252 PolarHBondContact N-O 3.09Å; V243-H252 PolarHBondContact O-N 3.48Å; L250-H252 WeakPolarHBondContact CD1-O 3.43Å; H252-F254 AromaticContact CD2-CD1 3.63Å; H252-F254 AromaticContact CD2-CD2 3.7Å; H252-F254 AromaticContact CD2-CE1 3.51Å; H252-F254 AromaticContact CD2-CE2 3.59Å; H252-F254 AromaticContact CD2-CG 3.74Å; H252-F254 AromaticContact CD2-CZ 3.52Å; H252-F254 AromaticContact NE2-CD1 3.55Å; H252-F254 AromaticContact NE2-CE1 3.61Å; H252-F254 AromaticContact NE2-CG 3.99Å; H252-Q274 PolarHBondContact NE2-OE1 3.05Å; H252-Q274 VanDerWaalsContact NE2-OE1 3.08Å; H252-I282 VanDerWaalsContact CE1-CD1 3.47Å; H252-I282 WeakPolarHBondContact CE1-CD1 3.4Å; H252-Y284 HydrophobicContact CB-CD2 4.32Å; H252-Y284 HydrophobicContact CB-CE2 3.51Å; H252-Y284 AromaticContact CG-CE2 3.83Å
253R92.9Very high89.3Confident73 Ų7363.7 Ų63.728%0.27532%0.318SS..EExtended strand (participates in β ladder)trans-125.5122.3173.5176.8170167.9154.8-15.2109.1E242 L250 E255E242-R253 HydrophobicContact CG-CB 4.11Å; E242-R253 HydrophobicContact CG-CG 3.85Å; E242-R253 IonicContact OE1-CZ 3.8Å; E242-R253 IonicContact OE1-NE 2.65Å; E242-R253 IonicContact OE1-NH1 3.9Å; E242-R253 PolarHBondContact OE1-NH1 2.63Å; L250-R253 HydrophobicContact CD1-CB 4.32Å; L250-R253 HydrophobicContact CD2-CB 4.23Å; R253-E255 IonicContact CZ-OE1 3.22Å; R253-E255 VanDerWaalsContact CZ-OE1 3.24Å; R253-E255 IonicContact NE-OE1 3.87Å; R253-E255 PolarHBondContact NE-OE1 2.89Å; R253-E255 IonicContact NH2-OE1 3.59Å; R253-E255 PolarHBondContact NH2-OE1 3.11Å
254F91.8Very high89.2Confident0 Ų063.7 Ų63.70%032%0.318CS..EExtended strand (participates in β ladder)trans-97112.2172.6-61.7-82.1000109.2S240 L241 V243 H252 I259 V272 Q274 I282 Y284S240-F254 CarbonylContact C-O 3.53Å; S240-F254 WeakPolarHBondContact CA-O 3.36Å; S240-F254 WeakPolarHBondContact CB-O 3.38Å; L241-F254 HydrophobicContact CB-CB 4.25Å; L241-F254 HydrophobicContact CB-CD2 4.38Å; L241-F254 PolarHBondContact N-O 2.78Å; L241-F254 PolarHBondContact O-N 2.81Å; V243-F254 HydrophobicContact CG2-CD2 4.31Å; V243-F254 HydrophobicContact CG2-CE2 3.87Å; H252-F254 AromaticContact CD2-CD1 3.63Å; H252-F254 AromaticContact CD2-CD2 3.7Å; H252-F254 AromaticContact CD2-CE1 3.51Å; H252-F254 AromaticContact CD2-CE2 3.59Å; H252-F254 AromaticContact CD2-CG 3.74Å; H252-F254 AromaticContact CD2-CZ 3.52Å; H252-F254 AromaticContact NE2-CD1 3.55Å; H252-F254 AromaticContact NE2-CE1 3.61Å; H252-F254 AromaticContact NE2-CG 3.99Å; F254-I259 HydrophobicContact CB-CD1 3.74Å; F254-I259 HydrophobicContact CB-CG1 3.58Å; F254-I259 HydrophobicContact CD1-CG1 4.29Å; F254-I259 HydrophobicContact CG-CG1 4.19Å; F254-V272 HydrophobicContact CD1-CG1 4.17Å; F254-V272 HydrophobicContact CD2-CG1 4.03Å; F254-V272 HydrophobicContact CE1-CG1 4.07Å; F254-V272 HydrophobicContact CE2-CB 4.2Å; F254-V272 HydrophobicContact CE2-CG1 3.92Å; F254-V272 HydrophobicContact CG-CG1 4.13Å; F254-V272 HydrophobicContact CZ-CB 4.2Å; F254-V272 HydrophobicContact CZ-CG1 3.9Å; F254-Q274 HydrophobicContact CD1-CB 3.92Å; F254-Q274 HydrophobicContact CE1-CB 3.83Å; F254-I282 HydrophobicContact CE1-CG2 4.1Å; F254-I282 HydrophobicContact CZ-CG2 4.27Å; F254-Y284 HydrophobicContact CE2-CD2 4.01Å; F254-Y284 HydrophobicContact CE2-CG 4.39Å; F254-Y284 AromaticContact CZ-CD2 3.64Å; F254-Y284 HydrophobicContact CZ-CD2 3.64Å; F254-Y284 HydrophobicContact CZ-CE2 4.5Å; F254-Y284 HydrophobicContact CZ-CG 4.3Å
255E90.3Very high89Confident63 Ų6362.2 Ų62.229%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-67.9144167.8-69.2-62.2157.300109.8R253 N257 E258 I259R253-E255 IonicContact CZ-OE1 3.22Å; R253-E255 VanDerWaalsContact CZ-OE1 3.24Å; R253-E255 IonicContact NE-OE1 3.87Å; R253-E255 PolarHBondContact NE-OE1 2.89Å; R253-E255 IonicContact NH2-OE1 3.59Å; R253-E255 PolarHBondContact NH2-OE1 3.11Å; E255-N257 PolarHBondContact O-N 2.87Å; E255-E258 HydrophobicContact CB-CB 4.36Å; E255-E258 HydrophobicContact CB-CG 3.94Å; E255-E258 PolarHBondContact O-N 3.33Å; E255-I259 PolarHBondContact O-N 2.98Å
256R86.5Confident88.8Confident103 Ų10360.9 Ų60.939%0.38931%0.308SS..THydrogen-bonded Turntrans-54.8-34.1-174.7174.5171.5-167.7-166.91.6113.5S239 Q301 Y302 K305S239-R256 WeakPolarHBondContact O-CB 3.33Å; S239-R256 PolarHBondContact O-N 3.41Å; R256-Q301 PolarHBondContact NE-O 2.82Å; R256-Q301 PolarHBondContact NH2-O 2.86Å; R256-Y302 HydrophobicContact CB-CE1 4.1Å; R256-Y302 HydrophobicContact CG-CD1 4.48Å; R256-Y302 HydrophobicContact CG-CE1 3.64Å; R256-K305 PolarHBondContact O-NZ 2.92Å
257N85.3Confident88.8Confident149 Ų14957 Ų5780%0.79729%0.285SS*.THydrogen-bonded Turntrans-75-31.3179.9-65.5-19.9000112.3E255 K305E255-N257 PolarHBondContact O-N 2.87Å; N257-K305 PolarHBondContact O-NZ 2.79Å; N257-K305 VanDerWaalsContact O-NZ 3.1Å
258E88.2Confident89.1Confident92 Ų9254.7 Ų54.743%0.4327%0.266SS..THydrogen-bonded Turntrans-83.8-16-174.7-61.1-179.5172.300113.9E255 D260 Q274E255-E258 HydrophobicContact CB-CB 4.36Å; E255-E258 HydrophobicContact CB-CG 3.94Å; E255-E258 PolarHBondContact O-N 3.33Å; E258-D260 PolarHBondContact O-N 2.85Å; E258-Q274 HydrophobicContact CB-CG 4.41Å; E258-Q274 WeakPolarHBondContact O-CG 3.11Å; E258-Q274 PolarHBondContact OE2-NE2 2.94Å
259I90.8Very high89.7Confident1 Ų152.1 Ų52.11%0.00525%0.246CC..  trans-67.2121.1172.8-65.2167.4000108L241 F254 E255 I262 V272 Y302 K305L241-I259 HydrophobicContact CB-CD1 4.37Å; L241-I259 HydrophobicContact CD1-CD1 3.62Å; L241-I259 HydrophobicContact CG-CD1 3.89Å; F254-I259 HydrophobicContact CB-CD1 3.74Å; F254-I259 HydrophobicContact CB-CG1 3.58Å; F254-I259 HydrophobicContact CD1-CG1 4.29Å; F254-I259 HydrophobicContact CG-CG1 4.19Å; E255-I259 PolarHBondContact O-N 2.98Å; I259-I262 HydrophobicContact CG2-CD1 4.31Å; I259-I262 HydrophobicContact CG2-CG1 3.81Å; I259-V272 HydrophobicContact CD1-CG1 4.33Å; I259-V272 HydrophobicContact CG1-CG1 4.19Å; I259-V272 HydrophobicContact CG2-CG1 4.11Å; I259-Y302 HydrophobicContact CD1-CD1 4.23Å; I259-Y302 HydrophobicContact CD1-CE1 3.47Å; I259-Y302 VanDerWaalsContact CD1-CE1 3.47Å; I259-K305 HydrophobicContact CB-CD 4.49Å; I259-K305 HydrophobicContact CG2-CD 4.43Å; I259-K305 WeakPolarHBondContact O-CD 3.47Å; I259-K305 WeakPolarHBondContact O-CE 3.4Å; I259-K305 PolarHBondContact O-NZ 3.05Å
260D90.3Very high89.9Confident76 Ų7646.4 Ų46.441%0.40622%0.22SC..  trans-83.2-41173.1-69.2-87.7000110.6E258 R273 Q274 R275E258-D260 PolarHBondContact O-N 2.85Å; D260-R273 PolarHBondContact N-O 3.22Å; D260-Q274 WeakPolarHBondContact OD2-CA 3.46Å; D260-R275 HydrophobicContact CB-CG 4.15Å; D260-R275 WeakPolarHBondContact OD2-CB 3.42Å; D260-R275 PolarHBondContact OD2-N 2.86Å
261E92.3Very high90.1Very high5 Ų542.9 Ų42.92%0.02320%0.202CC..EExtended strand (participates in β ladder)trans-156138-164.8-169.2-177.7164.100112.1R263 R273 R275 K305 E307E261-R263 HydrophobicContact CG-CG 4.16Å; E261-R263 WeakPolarHBondContact OE1-CG 3.3Å; E261-R263 IonicContact OE1-CZ 3.71Å; E261-R263 IonicContact OE1-NE 3.05Å; E261-R263 PolarHBondContact OE1-NE 2.92Å; E261-R263 IonicContact OE1-NH2 2.84Å; E261-R263 PolarHBondContact OE1-NH2 3.37Å; E261-R263 IonicContact OE2-NE 2.74Å; E261-R263 IonicContact OE2-NH2 2.71Å; E261-R263 PolarHBondContact OE2-NH2 2.84Å; E261-R273 PolarHBondContact N-O 3.4Å; E261-R273 PolarHBondContact O-N 2.99Å; E261-R273 IonicContact OE1-NH2 3.42Å; E261-R273 IonicContact OE2-CZ 3.07Å; E261-R273 IonicContact OE2-NE 2.69Å; E261-R273 PolarHBondContact OE2-NE 3.42Å; E261-R273 IonicContact OE2-NH2 3.19Å; E261-R273 PolarHBondContact OE2-NH2 3.08Å; E261-R275 IonicContact OE2-NH2 3.81Å; E261-R275 PolarHBondContact OE2-NH2 3.25Å; E261-K305 CarbonylContact C-O 3.54Å; E261-K305 WeakPolarHBondContact CA-O 3.47Å; E261-E307 HydrophobicContact CG-CG 4.24Å; E261-E307 VanDerWaalsContact OE1-CD 3.31Å
262I92.9Very high90.2Very high0 Ų039.2 Ų39.20%018%0.183CC..EExtended strand (participates in β ladder)trans-120.1107.5169.4-55.4-177.6000107.7L241 I259 T271 V272 L298 Y302 K305 M306 E307L241-I262 HydrophobicContact CD1-CD1 4.14Å; I259-I262 HydrophobicContact CG2-CD1 4.31Å; I259-I262 HydrophobicContact CG2-CG1 3.81Å; I262-T271 CarbonylContact C-O 3.47Å; I262-T271 WeakPolarHBondContact CA-O 3.41Å; I262-V272 HydrophobicContact CG1-CG1 4.4Å; I262-V272 HydrophobicContact CG1-CG2 4.29Å; I262-V272 HydrophobicContact CG2-CG2 4.33Å; I262-L298 HydrophobicContact CD1-CD2 4.31Å; I262-Y302 HydrophobicContact CD1-CD1 4.12Å; I262-Y302 HydrophobicContact CD1-CD2 4.07Å; I262-Y302 HydrophobicContact CD1-CG 3.72Å; I262-K305 PolarHBondContact N-O 3.42Å; I262-M306 CarbonylContact O-C 3.58Å; I262-M306 WeakPolarHBondContact O-CA 3.1Å; I262-E307 PolarHBondContact O-N 3Å
263R91.3Very high90.3Very high89 Ų8940 Ų4034%0.33618%0.184SC..EExtended strand (participates in β ladder)trans-89.5132175.7-64.6176-169.1-157.6-23.9110.6E261 I270 T271 E307E261-R263 HydrophobicContact CG-CG 4.16Å; E261-R263 WeakPolarHBondContact OE1-CG 3.3Å; E261-R263 IonicContact OE1-CZ 3.71Å; E261-R263 IonicContact OE1-NE 3.05Å; E261-R263 PolarHBondContact OE1-NE 2.92Å; E261-R263 IonicContact OE1-NH2 2.84Å; E261-R263 PolarHBondContact OE1-NH2 3.37Å; E261-R263 IonicContact OE2-NE 2.74Å; E261-R263 IonicContact OE2-NH2 2.71Å; E261-R263 PolarHBondContact OE2-NH2 2.84Å; R263-I270 CarbonylContact O-C 3.48Å; R263-I270 VanDerWaalsContact O-CA 3.22Å; R263-I270 WeakPolarHBondContact O-CA 3.29Å; R263-T271 PolarHBondContact N-O 2.96Å; R263-T271 PolarHBondContact O-N 2.9Å; R263-E307 CarbonylContact C-O 3.56Å; R263-E307 WeakPolarHBondContact CA-O 3.38Å
264V90.8Very high90.2Very high0 Ų036.7 Ų36.70%017%0.172CC..EExtended strand (participates in β ladder)trans-103.5116.2171.9-172.80000108.5S266 I270 M295 M306 E307 F308 T309 Y312V264-S266 WeakPolarHBondContact CG1-O 3.44Å; V264-I270 HydrophobicContact CB-CG2 4.49Å; V264-I270 HydrophobicContact CG1-CG2 4.29Å; V264-I270 HydrophobicContact CG2-CG2 4.14Å; V264-M295 HydrophobicContact CG1-CE 3.96Å; V264-M295 HydrophobicContact CG1-SD 4.41Å; V264-M295 HydrophobicContact CG2-CE 4.47Å; V264-M295 HydrophobicContact CG2-SD 4.13Å; V264-M306 HydrophobicContact CG2-CE 3.36Å; V264-M306 HydrophobicContact CG2-CG 4.11Å; V264-E307 PolarHBondContact N-O 3.3Å; V264-F308 HydrophobicContact CB-CD1 3.73Å; V264-F308 HydrophobicContact CB-CE1 4.1Å; V264-F308 HydrophobicContact CG1-CD1 4.09Å; V264-F308 HydrophobicContact CG1-CE1 4.3Å; V264-F308 HydrophobicContact CG2-CD1 3.94Å; V264-F308 HydrophobicContact CG2-CE1 3.85Å; V264-T309 WeakPolarHBondContact O-CB 3.49Å; V264-T309 PolarHBondContact O-N 2.62Å; V264-T309 PolarHBondContact O-OG1 3.35Å; V264-Y312 HydrophobicContact CG1-CD2 3.48Å; V264-Y312 VanDerWaalsContact CG1-CD2 3.48Å; V264-Y312 HydrophobicContact CG1-CE2 3.74Å; V264-Y312 HydrophobicContact CG1-CG 4.15Å
265H87.2Confident90.1Very high45 Ų4542.6 Ų42.621%0.20819%0.194CC..EExtended strand (participates in β ladder)trans-93.9-41.6179.1-64-69.5000111.2E269 T271 Y312H265-E269 HydrophobicContact CB-CB 4.26Å; H265-E269 HydrophobicContact CB-CG 4.15Å; H265-E269 PolarHBondContact N-O 3.34Å; H265-T271 PolarHBondContact CD2-OG1 3.32Å; H265-T271 PolarHBondContact NE2-OG1 2.98Å; H265-Y312 WeakPolarHBondContact O-CA 3.39Å; H265-Y312 PolarHBondContact O-N 3.04Å; H265-Y312 VanDerWaalsContact O-N 3.16Å
266S85.4Confident89.9Confident9 Ų943.6 Ų43.66%0.06320%0.198CC..EExtended strand (participates in β ladder)trans-145.7169.1173.476.70000109.3V264 Y268 E269V264-S266 WeakPolarHBondContact CG1-O 3.44Å; S266-Y268 PolarHBondContact O-N 3.39Å; S266-Y268 PolarHBondContact OG-N 3.06Å; S266-E269 PolarHBondContact N-O 2.82Å; S266-E269 PolarHBondContact O-N 2.9Å; S266-E269 VanDerWaalsContact O-N 3.08Å; S266-E269 VanDerWaalsContact OG-CB 3.32Å; S266-E269 WeakPolarHBondContact OG-CB 3.31Å; S266-E269 PolarHBondContact OG-N 2.84Å; S266-E269 VanDerWaalsContact OG-N 3.12Å
267P85.6Confident89.7Confident25 Ų2547.2 Ų47.216%0.16222%0.223CC..THydrogen-bonded Turntrans-57.2-15173.2-25.836000114.3P292 Y312 F315P267-P292 WeakPolarHBondContact O-CD 3.21Å; P267-Y312 HydrophobicContact CG-CD2 4.29Å; P267-Y312 HydrophobicContact CG-CE2 3.93Å; P267-F315 VanDerWaalsContact CD-CD1 3.41Å; P267-F315 HydrophobicContact CG-CD1 3.53Å; P267-F315 HydrophobicContact CG-CE1 3.71Å; P267-F315 HydrophobicContact CG-CG 4.46Å
268Y90Very high89.5Confident17 Ų1744.1 Ų44.17%0.06723%0.227CC..THydrogen-bonded Turntrans-109.5-8.9-178.6-54.3-69000113.2I7 R31 F97 S266 L287 S288 P292 F315I7-Y268 HydrophobicContact CB-CD2 4.46Å; I7-Y268 HydrophobicContact CD1-CD2 3.46Å; I7-Y268 VanDerWaalsContact CD1-CD2 3.46Å; I7-Y268 HydrophobicContact CD1-CE2 3.54Å; I7-Y268 HydrophobicContact CD1-CG 4.08Å; I7-Y268 HydrophobicContact CG1-CD2 3.66Å; I7-Y268 HydrophobicContact CG1-CE2 3.9Å; I7-Y268 HydrophobicContact CG2-CD2 4.01Å; I7-Y268 HydrophobicContact CG2-CG 4.3Å; R31-Y268 WeakPolarHBondContact CD-OH 3.45Å; R31-Y268 WeakPolarHBondContact CG-OH 3.48Å; R31-Y268 PolarHBondContact NE-OH 2.86Å; F97-Y268 HydrophobicContact CE1-CD1 4.31Å; F97-Y268 HydrophobicContact CE1-CG 4.31Å; F97-Y268 HydrophobicContact CZ-CG 4.4Å; S266-Y268 PolarHBondContact O-N 3.39Å; S266-Y268 PolarHBondContact OG-N 3.06Å; Y268-L287 CarbonylContact O-C 3.52Å; Y268-L287 WeakPolarHBondContact O-CA 3.45Å; Y268-S288 WeakPolarHBondContact CA-O 3.46Å; Y268-S288 WeakPolarHBondContact CB-O 3.41Å; Y268-S288 WeakPolarHBondContact CD1-O 3.37Å; Y268-S288 PolarHBondContact O-N 2.87Å; Y268-P292 HydrophobicContact CD1-CG 4.3Å; Y268-P292 HydrophobicContact CE1-CG 4Å; Y268-F315 HydrophobicContact CD2-CZ 4.41Å; Y268-F315 HydrophobicContact CE2-CE1 4.21Å; Y268-F315 AromaticContact CE2-CZ 3.93Å; Y268-F315 HydrophobicContact CE2-CZ 3.93Å
269E91.3Very high89.3Confident27 Ų2747 Ų4713%0.12624%0.237CC..EExtended strand (participates in β ladder)trans-133.4124-170.7-172.6176.6-169.200112.3H265 S266 R285 F286 L287H265-E269 HydrophobicContact CB-CB 4.26Å; H265-E269 HydrophobicContact CB-CG 4.15Å; H265-E269 PolarHBondContact N-O 3.34Å; S266-E269 PolarHBondContact N-O 2.82Å; S266-E269 PolarHBondContact O-N 2.9Å; S266-E269 VanDerWaalsContact O-N 3.08Å; S266-E269 VanDerWaalsContact OG-CB 3.32Å; S266-E269 WeakPolarHBondContact OG-CB 3.31Å; S266-E269 PolarHBondContact OG-N 2.84Å; S266-E269 VanDerWaalsContact OG-N 3.12Å; E269-R285 HydrophobicContact CG-CG 4.43Å; E269-R285 VanDerWaalsContact OE1-CD 3.27Å; E269-R285 WeakPolarHBondContact OE1-CD 3.29Å; E269-R285 IonicContact OE1-CZ 2.65Å; E269-R285 IonicContact OE1-NE 3.42Å; E269-R285 IonicContact OE1-NH1 3.82Å; E269-R285 PolarHBondContact OE1-NH1 3.19Å; E269-F286 WeakPolarHBondContact CA-O 3.35Å; E269-L287 HydrophobicContact CB-CD1 3.87Å; E269-L287 HydrophobicContact CG-CD1 4.3Å
270I92.9Very high89Confident0 Ų052.4 Ų52.40%027%0.273CS..EExtended strand (participates in β ladder)trans-132.2157.2175.567.5170.5000111.3L234 R263 V264 V272 F286 M291 M295 L298L234-I270 HydrophobicContact CD2-CD1 4Å; R263-I270 CarbonylContact O-C 3.48Å; R263-I270 VanDerWaalsContact O-CA 3.22Å; R263-I270 WeakPolarHBondContact O-CA 3.29Å; V264-I270 HydrophobicContact CB-CG2 4.49Å; V264-I270 HydrophobicContact CG1-CG2 4.29Å; V264-I270 HydrophobicContact CG2-CG2 4.14Å; I270-V272 HydrophobicContact CD1-CG2 4.46Å; I270-F286 HydrophobicContact CD1-CD2 4.41Å; I270-F286 HydrophobicContact CG1-CB 3.92Å; I270-F286 HydrophobicContact CG1-CD2 4.04Å; I270-F286 HydrophobicContact CG1-CG 4.36Å; I270-F286 PolarHBondContact N-O 3.44Å; I270-F286 PolarHBondContact O-N 3.05Å; I270-M291 HydrophobicContact CD1-CE 3.99Å; I270-M291 HydrophobicContact CD1-SD 3.61Å; I270-M291 HydrophobicContact CG1-CE 3.8Å; I270-M291 HydrophobicContact CG1-SD 3.87Å; I270-M291 HydrophobicContact CG2-CG 4.16Å; I270-M291 HydrophobicContact CG2-SD 4.19Å; I270-M295 HydrophobicContact CG2-CE 3.78Å; I270-L298 HydrophobicContact CD1-CD1 3.63Å
271T93.5Very high88.9Confident15 Ų1552 Ų529%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-128125.1173.7-59.30000109.3I262 R263 H265 C283 Y284I262-T271 CarbonylContact C-O 3.47Å; I262-T271 WeakPolarHBondContact CA-O 3.41Å; R263-T271 PolarHBondContact N-O 2.96Å; R263-T271 PolarHBondContact O-N 2.9Å; H265-T271 PolarHBondContact CD2-OG1 3.32Å; H265-T271 PolarHBondContact NE2-OG1 2.98Å; T271-C283 WeakPolarHBondContact CG2-SG 3.48Å; T271-Y284 CarbonylContact C-O 3.23Å; T271-Y284 WeakPolarHBondContact CA-O 3.21Å
272V94.1Very high88.8Confident0 Ų053.5 Ų53.50%028%0.279CS..EExtended strand (participates in β ladder)trans-105.6127.2176.4-177.30000108.8L241 F254 I259 I262 I270 C283 Y284 F286L241-V272 HydrophobicContact CD1-CG1 4.41Å; L241-V272 HydrophobicContact CD1-CG2 4.29Å; F254-V272 HydrophobicContact CD1-CG1 4.17Å; F254-V272 HydrophobicContact CD2-CG1 4.03Å; F254-V272 HydrophobicContact CE1-CG1 4.07Å; F254-V272 HydrophobicContact CE2-CB 4.2Å; F254-V272 HydrophobicContact CE2-CG1 3.92Å; F254-V272 HydrophobicContact CG-CG1 4.13Å; F254-V272 HydrophobicContact CZ-CB 4.2Å; F254-V272 HydrophobicContact CZ-CG1 3.9Å; I259-V272 HydrophobicContact CD1-CG1 4.33Å; I259-V272 HydrophobicContact CG1-CG1 4.19Å; I259-V272 HydrophobicContact CG2-CG1 4.11Å; I262-V272 HydrophobicContact CG1-CG1 4.4Å; I262-V272 HydrophobicContact CG1-CG2 4.29Å; I262-V272 HydrophobicContact CG2-CG2 4.33Å; I270-V272 HydrophobicContact CD1-CG2 4.46Å; V272-C283 CarbonylContact O-C 3.48Å; V272-C283 WeakPolarHBondContact O-CA 3.37Å; V272-Y284 PolarHBondContact N-O 3.2Å; V272-Y284 PolarHBondContact O-N 3.46Å; V272-F286 HydrophobicContact CB-CE2 4.1Å; V272-F286 HydrophobicContact CG2-CD2 4.25Å; V272-F286 HydrophobicContact CG2-CE2 3.75Å
273R92.5Very high88.8Confident50 Ų5054.9 Ų54.919%0.18929%0.288CS..EExtended strand (participates in β ladder)trans-125.9139-177.8-173.6165.664.5163.6-7.6112.5D260 E261 R275 D281 I282 C283D260-R273 PolarHBondContact N-O 3.22Å; E261-R273 PolarHBondContact N-O 3.4Å; E261-R273 PolarHBondContact O-N 2.99Å; E261-R273 IonicContact OE1-NH2 3.42Å; E261-R273 IonicContact OE2-CZ 3.07Å; E261-R273 IonicContact OE2-NE 2.69Å; E261-R273 PolarHBondContact OE2-NE 3.42Å; E261-R273 IonicContact OE2-NH2 3.19Å; E261-R273 PolarHBondContact OE2-NH2 3.08Å; R273-R275 HydrophobicContact CG-CG 4.41Å; R273-D281 HydrophobicContact CG-CB 4.43Å; R273-D281 IonicContact NH1-OD2 2.66Å; R273-I282 WeakPolarHBondContact CA-O 3.41Å; R273-C283 HydrophobicContact CG-CB 4.46Å
274Q92.3Very high88.9Confident5 Ų551.1 Ų51.12%0.02327%0.274CS..EExtended strand (participates in β ladder)trans-126.8121173.7171.7176.615.400108H252 F254 E258 D260 F276 D281 I282H252-Q274 PolarHBondContact NE2-OE1 3.05Å; H252-Q274 VanDerWaalsContact NE2-OE1 3.08Å; F254-Q274 HydrophobicContact CD1-CB 3.92Å; F254-Q274 HydrophobicContact CE1-CB 3.83Å; E258-Q274 HydrophobicContact CB-CG 4.41Å; E258-Q274 WeakPolarHBondContact O-CG 3.11Å; E258-Q274 PolarHBondContact OE2-NE2 2.94Å; D260-Q274 WeakPolarHBondContact OD2-CA 3.46Å; Q274-F276 HydrophobicContact CG-CD2 4.29Å; Q274-F276 HydrophobicContact CG-CE2 3.54Å; Q274-F276 HydrophobicContact CG-CZ 3.81Å; Q274-D281 CarbonylContact O-C 3.36Å; Q274-D281 WeakPolarHBondContact O-CA 3.37Å; Q274-I282 HydrophobicContact CB-CB 4.41Å; Q274-I282 PolarHBondContact N-O 2.99Å; Q274-I282 PolarHBondContact O-N 3.46Å
275R89.8Confident89Confident124 Ų12453.8 Ų53.847%0.46828%0.283SS..  trans-96.9143.2-175.8-60.2-174.2-175.8172.69.4110.4D260 E261 R273 D281D260-R275 HydrophobicContact CB-CG 4.15Å; D260-R275 WeakPolarHBondContact OD2-CB 3.42Å; D260-R275 PolarHBondContact OD2-N 2.86Å; E261-R275 IonicContact OE2-NH2 3.81Å; E261-R275 PolarHBondContact OE2-NH2 3.25Å; R273-R275 HydrophobicContact CG-CG 4.41Å; R275-D281 VanDerWaalsContact CA-OD1 3.25Å; R275-D281 WeakPolarHBondContact CA-OD1 3.08Å
276F84.6Confident89.3Confident83 Ų8351.6 Ų51.636%0.36427%0.274SS..  trans-129141.9175.8-69.7-85.1000110.8Q274 G278 K279 D281 I282Q274-F276 HydrophobicContact CG-CD2 4.29Å; Q274-F276 HydrophobicContact CG-CE2 3.54Å; Q274-F276 HydrophobicContact CG-CZ 3.81Å; F276-G278 PolarHBondContact O-N 3.49Å; F276-K279 HydrophobicContact CB-CB 3.84Å; F276-D281 PolarHBondContact N-OD1 3.11Å; F276-I282 HydrophobicContact CD2-CG1 4.36Å; F276-I282 HydrophobicContact CE2-CB 4.41Å; F276-I282 HydrophobicContact CE2-CD1 3.64Å; F276-I282 HydrophobicContact CE2-CG1 3.8Å; F276-I282 HydrophobicContact CZ-CD1 4.25Å
277I83.8Confident89.6Confident179 Ų17951.2 Ų51.292%0.91827%0.271SS*.THydrogen-bonded Turntrans-79.7121.6171.4-57.2176.6000108K279I277-K279 VanDerWaalsContact C-N 3.31Å; I277-K279 PolarHBondContact O-N 2.95Å
278G80.1Confident89.9Confident85 Ų8550 Ų5088%0.87626%0.263SS*.THydrogen-bonded Turntrans77.95.4176.800000115.9F276F276-G278 PolarHBondContact O-N 3.49Å
279K84.2Confident89.9Confident151 Ų15149.9 Ų49.966%0.65727%0.265SS*.SBendtrans-132.3155.9173.2-68-177.6-177.3178.30109.5F276 I277F276-K279 HydrophobicContact CB-CB 3.84Å; I277-K279 VanDerWaalsContact C-N 3.31Å; I277-K279 PolarHBondContact O-N 2.95Å
280P84.6Confident89.8Confident115 Ų11550.7 Ų50.775%0.74727%0.268SS*.PPolyproline II helixtrans-62.9139.4175.226.4-34.2000111
281D88.3Confident89.6Confident68 Ų6850.7 Ų50.736%0.36427%0.268SS..PPolyproline II helixtrans-57.3140.5173.4-66.8-8.3000110.6R273 Q274 R275 F276R273-D281 HydrophobicContact CG-CB 4.43Å; R273-D281 IonicContact NH1-OD2 2.66Å; Q274-D281 CarbonylContact O-C 3.36Å; Q274-D281 WeakPolarHBondContact O-CA 3.37Å; R275-D281 VanDerWaalsContact CA-OD1 3.25Å; R275-D281 WeakPolarHBondContact CA-OD1 3.08Å; F276-D281 PolarHBondContact N-OD1 3.11Å
282I90.5Very high89.3Confident37 Ų3752.8 Ų52.819%0.1928%0.282CS..EExtended strand (participates in β ladder)trans-91.5121.1171.3-60.3179.4000107.9H252 F254 R273 Q274 F276 Y284H252-I282 VanDerWaalsContact CE1-CD1 3.47Å; H252-I282 WeakPolarHBondContact CE1-CD1 3.4Å; F254-I282 HydrophobicContact CE1-CG2 4.1Å; F254-I282 HydrophobicContact CZ-CG2 4.27Å; R273-I282 WeakPolarHBondContact CA-O 3.41Å; Q274-I282 HydrophobicContact CB-CB 4.41Å; Q274-I282 PolarHBondContact N-O 2.99Å; Q274-I282 PolarHBondContact O-N 3.46Å; F276-I282 HydrophobicContact CD2-CG1 4.36Å; F276-I282 HydrophobicContact CE2-CB 4.41Å; F276-I282 HydrophobicContact CE2-CD1 3.64Å; F276-I282 HydrophobicContact CE2-CG1 3.8Å; F276-I282 HydrophobicContact CZ-CD1 4.25Å; I282-Y284 HydrophobicContact CG2-CD2 3.88Å; I282-Y284 HydrophobicContact CG2-CE2 3.68Å
283C91.8Very high88.9Confident28 Ų2858.1 Ų58.119%0.18931%0.307CS..EExtended strand (participates in β ladder)trans-132131.4-178-176.60000109.1K223 G224 T271 V272 R273K223-C283 CarbonylContact C-O 3.54Å; G224-C283 WeakPolarHBondContact CA-O 3.31Å; G224-C283 PolarHBondContact N-O 2.99Å; T271-C283 WeakPolarHBondContact CG2-SG 3.48Å; V272-C283 CarbonylContact O-C 3.48Å; V272-C283 WeakPolarHBondContact O-CA 3.37Å; R273-C283 HydrophobicContact CG-CB 4.46Å
284Y93.2Very high88.7Confident11 Ų1155.7 Ų55.74%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-126.4131173.4-82-97.7000110S222 K223 V243 H252 F254 T271 V272 I282 F286S222-Y284 WeakPolarHBondContact O-CA 3.36Å; K223-Y284 HydrophobicContact CB-CD1 4.24Å; K223-Y284 HydrophobicContact CB-CE1 3.79Å; K223-Y284 HydrophobicContact CD-CE1 4.45Å; K223-Y284 HydrophobicContact CD-CE2 4.34Å; K223-Y284 WeakPolarHBondContact CD-OH 3.47Å; K223-Y284 HydrophobicContact CG-CE1 4.02Å; K223-Y284 HydrophobicContact CG-CE2 3.95Å; V243-Y284 HydrophobicContact CB-CD1 4.47Å; V243-Y284 HydrophobicContact CB-CE1 4.49Å; V243-Y284 HydrophobicContact CG1-CD1 3.87Å; V243-Y284 HydrophobicContact CG1-CE1 3.98Å; V243-Y284 HydrophobicContact CG2-CD1 4.22Å; V243-Y284 HydrophobicContact CG2-CG 4.19Å; H252-Y284 HydrophobicContact CB-CD2 4.32Å; H252-Y284 HydrophobicContact CB-CE2 3.51Å; H252-Y284 AromaticContact CG-CE2 3.83Å; F254-Y284 HydrophobicContact CE2-CD2 4.01Å; F254-Y284 HydrophobicContact CE2-CG 4.39Å; F254-Y284 AromaticContact CZ-CD2 3.64Å; F254-Y284 HydrophobicContact CZ-CD2 3.64Å; F254-Y284 HydrophobicContact CZ-CE2 4.5Å; F254-Y284 HydrophobicContact CZ-CG 4.3Å; T271-Y284 CarbonylContact C-O 3.23Å; T271-Y284 WeakPolarHBondContact CA-O 3.21Å; V272-Y284 PolarHBondContact N-O 3.2Å; V272-Y284 PolarHBondContact O-N 3.46Å; I282-Y284 HydrophobicContact CG2-CD2 3.88Å; I282-Y284 HydrophobicContact CG2-CE2 3.68Å; Y284-F286 WeakPolarHBondContact O-CE2 3.42Å
285R93Very high88.4Confident55 Ų5556.1 Ų56.121%0.20830%0.3CS..EExtended strand (participates in β ladder)trans-102.1136.5175.1-170.4172.372.3122.6-8.6109.1V221 S222 E269V221-R285 VanDerWaalsContact CA-O 3.31Å; V221-R285 WeakPolarHBondContact CA-O 3.46Å; S222-R285 PolarHBondContact N-O 3.5Å; S222-R285 PolarHBondContact O-N 3.27Å; E269-R285 HydrophobicContact CG-CG 4.43Å; E269-R285 VanDerWaalsContact OE1-CD 3.27Å; E269-R285 WeakPolarHBondContact OE1-CD 3.29Å; E269-R285 IonicContact OE1-CZ 2.65Å; E269-R285 IonicContact OE1-NE 3.42Å; E269-R285 IonicContact OE1-NH1 3.82Å; E269-R285 PolarHBondContact OE1-NH1 3.19Å
286F93.3Very high88Confident0 Ų054 Ų540%030%0.304CS..EExtended strand (participates in β ladder)trans-126.8127.2-177.8-55.6-95.6000109.3A219 V221 L234 V243 E269 I270 V272 Y284 M291A219-F286 HydrophobicContact CB-CB 4.48Å; A219-F286 HydrophobicContact CB-CD1 4.45Å; V221-F286 HydrophobicContact CG1-CD1 3.62Å; V221-F286 HydrophobicContact CG1-CE1 3.87Å; L234-F286 HydrophobicContact CB-CD1 3.85Å; L234-F286 HydrophobicContact CB-CE1 3.97Å; L234-F286 HydrophobicContact CD1-CD1 4.32Å; L234-F286 HydrophobicContact CD1-CE1 3.81Å; L234-F286 HydrophobicContact CD1-CZ 3.94Å; L234-F286 HydrophobicContact CD2-CD1 4.44Å; L234-F286 HydrophobicContact CG-CD1 4.43Å; L234-F286 HydrophobicContact CG-CE1 4.37Å; V243-F286 HydrophobicContact CB-CE1 4.41Å; V243-F286 HydrophobicContact CB-CZ 4.5Å; V243-F286 HydrophobicContact CG1-CE1 3.94Å; V243-F286 HydrophobicContact CG1-CZ 4.32Å; V243-F286 HydrophobicContact CG2-CE1 3.85Å; V243-F286 HydrophobicContact CG2-CZ 3.5Å; E269-F286 WeakPolarHBondContact CA-O 3.35Å; I270-F286 HydrophobicContact CD1-CD2 4.41Å; I270-F286 HydrophobicContact CG1-CB 3.92Å; I270-F286 HydrophobicContact CG1-CD2 4.04Å; I270-F286 HydrophobicContact CG1-CG 4.36Å; I270-F286 PolarHBondContact N-O 3.44Å; I270-F286 PolarHBondContact O-N 3.05Å; V272-F286 HydrophobicContact CB-CE2 4.1Å; V272-F286 HydrophobicContact CG2-CD2 4.25Å; V272-F286 HydrophobicContact CG2-CE2 3.75Å; Y284-F286 WeakPolarHBondContact O-CE2 3.42Å; F286-M291 HydrophobicContact CB-CE 3.68Å
287L92.6Very high88Confident0 Ų051.5 Ų51.50%030%0.296CS..EExtended strand (participates in β ladder)trans-120.1119.7173.6-176.967.5000109.1I7 V93 F97 A219 V220 Y268 E269I7-L287 HydrophobicContact CG2-CD1 4.22Å; V93-L287 HydrophobicContact CB-CD2 4.29Å; V93-L287 HydrophobicContact CG1-CD2 3.46Å; V93-L287 VanDerWaalsContact CG1-CD2 3.46Å; V93-L287 HydrophobicContact CG2-CD2 3.78Å; F97-L287 HydrophobicContact CE2-CD1 4.38Å; F97-L287 HydrophobicContact CE2-CD2 4.25Å; F97-L287 HydrophobicContact CE2-CG 3.99Å; F97-L287 HydrophobicContact CZ-CD1 4.34Å; F97-L287 HydrophobicContact CZ-CG 4.39Å; A219-L287 WeakPolarHBondContact CA-O 3.22Å; V220-L287 PolarHBondContact N-O 3.42Å; V220-L287 PolarHBondContact O-N 3.03Å; Y268-L287 CarbonylContact O-C 3.52Å; Y268-L287 WeakPolarHBondContact O-CA 3.45Å; E269-L287 HydrophobicContact CB-CD1 3.87Å; E269-L287 HydrophobicContact CG-CD1 4.3Å
288S92.1Very high88.2Confident0 Ų043 Ų430%025%0.252CS..  trans-149.7138.7179.3-1780000114.5H96 I217 P218 Y268 K290 M291H96-S288 WeakPolarHBondContact NE2-CA 3.19Å; H96-S288 PolarHBondContact NE2-OG 3.19Å; H96-S288 VanDerWaalsContact NE2-OG 3.09Å; I217-S288 WeakPolarHBondContact CG2-OG 3.18Å; P218-S288 WeakPolarHBondContact O-CB 3.44Å; P218-S288 PolarHBondContact O-OG 2.65Å; Y268-S288 WeakPolarHBondContact CA-O 3.46Å; Y268-S288 WeakPolarHBondContact CB-O 3.41Å; Y268-S288 WeakPolarHBondContact CD1-O 3.37Å; Y268-S288 PolarHBondContact O-N 2.87Å; S288-K290 PolarHBondContact O-N 3.04Å; S288-K290 PolarHBondContact OG-N 2.65Å; S288-M291 VanDerWaalsContact O-CB 3.3Å; S288-M291 WeakPolarHBondContact O-CB 3.46Å; S288-M291 PolarHBondContact O-N 2.8Å
289A89.1Confident88.5Confident14 Ų1442.6 Ų42.612%0.11623%0.228CC..THydrogen-bonded Turntrans-58.9-29.1167.100000113.8H96 F97 E100H96-A289 PolarHBondContact NE2-N 3.42Å; F97-A289 HydrophobicContact CD1-CB 3.71Å; F97-A289 HydrophobicContact CE1-CB 3.84Å; F97-A289 HydrophobicContact CG-CB 4.24Å; F97-A289 HydrophobicContact CZ-CB 4.48Å; E100-A289 HydrophobicContact CB-CB 3.83Å; E100-A289 HydrophobicContact CG-CB 4.36Å
290K88.6Confident88.4Confident44 Ų4443 Ų4319%0.19123%0.234CC..THydrogen-bonded Turntrans-97.86.8179.3-74.2-171.1169.3149.70114E100 I217 S288 P292 E293E100-K290 VanDerWaalsContact OE2-CD 3.25Å; E100-K290 WeakPolarHBondContact OE2-CD 3.32Å; E100-K290 WeakPolarHBondContact OE2-CE 3.41Å; E100-K290 IonicContact OE2-NZ 2.98Å; E100-K290 PolarHBondContact OE2-NZ 3.1Å; I217-K290 HydrophobicContact CG2-CB 4.05Å; S288-K290 PolarHBondContact O-N 3.04Å; S288-K290 PolarHBondContact OG-N 2.65Å; K290-P292 VanDerWaalsContact C-N 3.25Å; K290-E293 WeakPolarHBondContact CG-OE1 3.47Å; K290-E293 WeakPolarHBondContact O-CB 3.44Å; K290-E293 PolarHBondContact O-N 3.28Å
291M90.4Very high88.3Confident0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-53-35.2175.8-168.557.76600114.2L234 I270 F286 S288 E293 A294 M295L234-M291 HydrophobicContact CD2-CE 4.35Å; L234-M291 HydrophobicContact CD2-SD 4.45Å; I270-M291 HydrophobicContact CD1-CE 3.99Å; I270-M291 HydrophobicContact CD1-SD 3.61Å; I270-M291 HydrophobicContact CG1-CE 3.8Å; I270-M291 HydrophobicContact CG1-SD 3.87Å; I270-M291 HydrophobicContact CG2-CG 4.16Å; I270-M291 HydrophobicContact CG2-SD 4.19Å; F286-M291 HydrophobicContact CB-CE 3.68Å; S288-M291 VanDerWaalsContact O-CB 3.3Å; S288-M291 WeakPolarHBondContact O-CB 3.46Å; S288-M291 PolarHBondContact O-N 2.8Å; M291-E293 PolarHBondContact O-N 2.97Å; M291-E293 VanDerWaalsContact O-N 3.15Å; M291-A294 PolarHBondContact O-N 3.27Å; M291-A294 HydrophobicContact SD-CB 4.37Å; M291-M295 HydrophobicContact CG-CE 3.98Å; M291-M295 PolarHBondContact O-N 2.82Å
292P86.5Confident88.1Confident59 Ų5936 Ų3638%0.38319%0.188SC..Hα-helixtrans-56.1-29.7175.1-28.637.4000114.6P267 Y268 K290 M295P267-P292 WeakPolarHBondContact O-CD 3.21Å; Y268-P292 HydrophobicContact CD1-CG 4.3Å; Y268-P292 HydrophobicContact CE1-CG 4Å; K290-P292 VanDerWaalsContact C-N 3.25Å; P292-M295 WeakPolarHBondContact O-CB 3.11Å; P292-M295 PolarHBondContact O-N 2.82Å
293E86.3Confident87.8Confident112 Ų11242.5 Ų42.552%0.52322%0.215SC..Hα-helixtrans-67.7-41176.9-61173.6-159.200111.3I217 K290 M291I217-E293 HydrophobicContact CD1-CB 4.03Å; K290-E293 WeakPolarHBondContact CG-OE1 3.47Å; K290-E293 WeakPolarHBondContact O-CB 3.44Å; K290-E293 PolarHBondContact O-N 3.28Å; M291-E293 PolarHBondContact O-N 2.97Å; M291-E293 VanDerWaalsContact O-N 3.15Å
294A86.5Confident87.5Confident0 Ų051.3 Ų51.30%025%0.251CS..Hα-helixtrans-74.8-26.517400000113.1I217 V236 M291 S296 V297 L298I217-A294 HydrophobicContact CD1-CB 4.18Å; I217-A294 HydrophobicContact CG1-CB 3.57Å; V236-A294 HydrophobicContact CG2-CB 4.26Å; M291-A294 PolarHBondContact O-N 3.27Å; M291-A294 HydrophobicContact SD-CB 4.37Å; A294-S296 VanDerWaalsContact C-N 3.28Å; A294-S296 PolarHBondContact O-N 2.93Å; A294-V297 PolarHBondContact O-N 3.27Å; A294-L298 HydrophobicContact CB-CD1 4.35Å; A294-L298 WeakPolarHBondContact O-CG 3.37Å; A294-L298 PolarHBondContact O-N 2.89Å
295M86.8Confident87.2Confident13 Ų1353.7 Ų53.76%0.06426%0.261CS..Hα-helixtrans-55.2-44.3-175-162.763.863.200111.9V264 I270 M291 P292 V297 L298 E299 M306V264-M295 HydrophobicContact CG1-CE 3.96Å; V264-M295 HydrophobicContact CG1-SD 4.41Å; V264-M295 HydrophobicContact CG2-CE 4.47Å; V264-M295 HydrophobicContact CG2-SD 4.13Å; I270-M295 HydrophobicContact CG2-CE 3.78Å; M291-M295 HydrophobicContact CG-CE 3.98Å; M291-M295 PolarHBondContact O-N 2.82Å; P292-M295 WeakPolarHBondContact O-CB 3.11Å; P292-M295 PolarHBondContact O-N 2.82Å; M295-V297 VanDerWaalsContact C-N 3.31Å; M295-V297 PolarHBondContact O-N 3.48Å; M295-L298 PolarHBondContact O-N 3.06Å; M295-E299 WeakPolarHBondContact O-CB 3.4Å; M295-E299 VanDerWaalsContact O-CG 3.3Å; M295-E299 WeakPolarHBondContact O-CG 3.45Å; M295-E299 PolarHBondContact O-N 2.94Å; M295-M306 HydrophobicContact CG-CE 4.35Å; M295-M306 HydrophobicContact SD-CE 3.17Å; M295-M306 WeakPolarHBondContact SD-CE 3.18Å
296S81.6Confident87Confident80 Ų8052 Ų5256%0.55926%0.256SS*.Hα-helixtrans-62-38.1178.8-58.50000112.6A294 M300A294-S296 VanDerWaalsContact C-N 3.28Å; A294-S296 PolarHBondContact O-N 2.93Å; S296-M300 WeakPolarHBondContact O-CB 3.46Å; S296-M300 PolarHBondContact O-N 2.9Å; S296-M300 VanDerWaalsContact O-N 3.13Å
297V85.3Confident86.7Confident30 Ų3057 Ų5718%0.18228%0.279CS..Hα-helixtrans-73.5-41.5178.9-175.40000110.6I214 V236 A294 M295 M300 Q301I214-V297 HydrophobicContact CB-CG1 4.38Å; I214-V297 HydrophobicContact CD1-CG1 4.32Å; I214-V297 HydrophobicContact CG2-CG1 3.71Å; I214-V297 HydrophobicContact CG2-CG2 3.97Å; V236-V297 HydrophobicContact CG1-CB 4.38Å; V236-V297 HydrophobicContact CG1-CG1 3.59Å; A294-V297 PolarHBondContact O-N 3.27Å; M295-V297 VanDerWaalsContact C-N 3.31Å; M295-V297 PolarHBondContact O-N 3.48Å; V297-M300 PolarHBondContact O-N 2.73Å; V297-Q301 HydrophobicContact CG1-CG 4.49Å; V297-Q301 PolarHBondContact O-N 2.89Å
298L87.4Confident86.3Confident0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-64-43.8177.2-68.7175.5000111.2V236 L241 I262 I270 A294 M295 M300 Q301 Y302V236-L298 HydrophobicContact CG2-CD2 4.39Å; L241-L298 HydrophobicContact CD1-CD2 4.01Å; L241-L298 HydrophobicContact CD2-CD2 3.92Å; I262-L298 HydrophobicContact CD1-CD2 4.31Å; I270-L298 HydrophobicContact CD1-CD1 3.63Å; A294-L298 HydrophobicContact CB-CD1 4.35Å; A294-L298 WeakPolarHBondContact O-CG 3.37Å; A294-L298 PolarHBondContact O-N 2.89Å; M295-L298 PolarHBondContact O-N 3.06Å; L298-M300 VanDerWaalsContact C-N 3.31Å; L298-M300 PolarHBondContact O-N 3.15Å; L298-Q301 PolarHBondContact O-N 3.04Å; L298-Y302 HydrophobicContact CD2-CD2 3.98Å; L298-Y302 HydrophobicContact CD2-CE2 4.22Å; L298-Y302 WeakPolarHBondContact O-CA 3.25Å; L298-Y302 WeakPolarHBondContact O-CB 3.47Å; L298-Y302 PolarHBondContact O-N 2.78Å
299E86.6Confident85.8Confident78 Ų7863.1 Ų63.136%0.36431%0.309SS..Hα-helixtrans-59.9-41.3174.1-76.1177.8-171.100111.5M295 K303 M306M295-E299 WeakPolarHBondContact O-CB 3.4Å; M295-E299 VanDerWaalsContact O-CG 3.3Å; M295-E299 WeakPolarHBondContact O-CG 3.45Å; M295-E299 PolarHBondContact O-N 2.94Å; E299-K303 WeakPolarHBondContact O-CA 3.47Å; E299-K303 VanDerWaalsContact O-CB 3.24Å; E299-K303 WeakPolarHBondContact O-CB 3.39Å; E299-K303 PolarHBondContact O-N 3.37Å; E299-M306 HydrophobicContact CB-SD 4.43Å; E299-M306 HydrophobicContact CG-CE 3.81Å; E299-M306 HydrophobicContact CG-SD 3.69Å
300M82.7Confident84.9Confident160 Ų16066.4 Ų66.479%0.78833%0.331SS*.Hα-helixtrans-67.8-42178.5-171.4179.7-66.800112.7S296 V297 L298S296-M300 WeakPolarHBondContact O-CB 3.46Å; S296-M300 PolarHBondContact O-N 2.9Å; S296-M300 VanDerWaalsContact O-N 3.13Å; V297-M300 PolarHBondContact O-N 2.73Å; L298-M300 VanDerWaalsContact C-N 3.31Å; L298-M300 PolarHBondContact O-N 3.15Å
301Q81.9Confident84.2Confident29 Ų2969.3 Ų69.314%0.13635%0.346CS..Hα-helixtrans-88-31.6-174.6-70.6-1658.200114.6L237 R256 V297 L298L237-Q301 PolarHBondContact O-NE2 2.86Å; L237-Q301 PolarHBondContact O-OE1 2.9Å; R256-Q301 PolarHBondContact NE-O 2.82Å; R256-Q301 PolarHBondContact NH2-O 2.86Å; V297-Q301 HydrophobicContact CG1-CG 4.49Å; V297-Q301 PolarHBondContact O-N 2.89Å; L298-Q301 PolarHBondContact O-N 3.04Å
302Y84.7Confident83.5Confident5 Ų570.8 Ų70.82%0.0235%0.351CS..Hα-helixtrans-124.317.5-167.5-61.4-84.8000113.3L241 R256 I259 I262 L298 K304 K305 M306L241-Y302 HydrophobicContact CD1-CE2 4.26Å; L241-Y302 HydrophobicContact CD2-CE2 4.09Å; L241-Y302 HydrophobicContact CG-CE2 4.17Å; R256-Y302 HydrophobicContact CB-CE1 4.1Å; R256-Y302 HydrophobicContact CG-CD1 4.48Å; R256-Y302 HydrophobicContact CG-CE1 3.64Å; I259-Y302 HydrophobicContact CD1-CD1 4.23Å; I259-Y302 HydrophobicContact CD1-CE1 3.47Å; I259-Y302 VanDerWaalsContact CD1-CE1 3.47Å; I262-Y302 HydrophobicContact CD1-CD1 4.12Å; I262-Y302 HydrophobicContact CD1-CD2 4.07Å; I262-Y302 HydrophobicContact CD1-CG 3.72Å; L298-Y302 HydrophobicContact CD2-CD2 3.98Å; L298-Y302 HydrophobicContact CD2-CE2 4.22Å; L298-Y302 WeakPolarHBondContact O-CA 3.25Å; L298-Y302 WeakPolarHBondContact O-CB 3.47Å; L298-Y302 PolarHBondContact O-N 2.78Å; Y302-K304 PolarHBondContact O-N 2.81Å; Y302-K305 HydrophobicContact CD1-CD 4.31Å; Y302-K305 WeakPolarHBondContact O-CA 3.37Å; Y302-K305 PolarHBondContact O-N 2.92Å; Y302-M306 PolarHBondContact O-N 2.87Å
303K84.1Confident82.8Confident174 Ų17472.3 Ų72.376%0.75736%0.359SS*.G310 helixtrans-41.4-43-178-162172.3179.5174.90115.2E299 K305E299-K303 WeakPolarHBondContact O-CA 3.47Å; E299-K303 VanDerWaalsContact O-CB 3.24Å; E299-K303 WeakPolarHBondContact O-CB 3.39Å; E299-K303 PolarHBondContact O-N 3.37Å; K303-K305 VanDerWaalsContact C-N 3.3Å; K303-K305 PolarHBondContact O-N 3.32Å
304K85.3Confident82Confident214 Ų21469.9 Ų69.993%0.9336%0.358SS*.G310 helixtrans-74-18.3-177.6-64.7-174.6178.8-177.40114.1Y302Y302-K304 PolarHBondContact O-N 2.81Å
305K87.2Confident81.2Confident60 Ų6071.9 Ų71.926%0.26137%0.367SS..G310 helixtrans-107.74-176.1-62.3177.8168.2-166.20111.9R256 N257 I259 E261 I262 Y302 K303R256-K305 PolarHBondContact O-NZ 2.92Å; N257-K305 PolarHBondContact O-NZ 2.79Å; N257-K305 VanDerWaalsContact O-NZ 3.1Å; I259-K305 HydrophobicContact CB-CD 4.49Å; I259-K305 HydrophobicContact CG2-CD 4.43Å; I259-K305 WeakPolarHBondContact O-CD 3.47Å; I259-K305 WeakPolarHBondContact O-CE 3.4Å; I259-K305 PolarHBondContact O-NZ 3.05Å; E261-K305 CarbonylContact C-O 3.54Å; E261-K305 WeakPolarHBondContact CA-O 3.47Å; I262-K305 PolarHBondContact N-O 3.42Å; Y302-K305 HydrophobicContact CD1-CD 4.31Å; Y302-K305 WeakPolarHBondContact O-CA 3.37Å; Y302-K305 PolarHBondContact O-N 2.92Å; K303-K305 VanDerWaalsContact C-N 3.3Å; K303-K305 PolarHBondContact O-N 3.32Å
306M87.1Confident80.3Confident21 Ų2178.7 Ų78.710%0.10340%0.396CS..EExtended strand (participates in β ladder)trans-101.4124.8-171.8-163.6164.1-176.800110.8I262 V264 M295 E299 Y302 F308I262-M306 CarbonylContact O-C 3.58Å; I262-M306 WeakPolarHBondContact O-CA 3.1Å; V264-M306 HydrophobicContact CG2-CE 3.36Å; V264-M306 HydrophobicContact CG2-CG 4.11Å; M295-M306 HydrophobicContact CG-CE 4.35Å; M295-M306 HydrophobicContact SD-CE 3.17Å; M295-M306 WeakPolarHBondContact SD-CE 3.18Å; E299-M306 HydrophobicContact CB-SD 4.43Å; E299-M306 HydrophobicContact CG-CE 3.81Å; E299-M306 HydrophobicContact CG-SD 3.69Å; Y302-M306 PolarHBondContact O-N 2.87Å; M306-F308 HydrophobicContact CE-CE1 3.98Å; M306-F308 HydrophobicContact CE-CZ 3.83Å; M306-F308 HydrophobicContact CG-CE2 4.22Å; M306-F308 HydrophobicContact CG-CZ 4.14Å; M306-F308 HydrophobicContact SD-CZ 4.06Å
307E87.2Confident79.3Confident103 Ų10378.6 Ų78.648%0.48140%0.4SS..EExtended strand (participates in β ladder)trans-117.5126.1179.9-65.7-172.6-168.500109.9E261 I262 R263 V264E261-E307 HydrophobicContact CG-CG 4.24Å; E261-E307 VanDerWaalsContact OE1-CD 3.31Å; I262-E307 PolarHBondContact O-N 3Å; R263-E307 CarbonylContact C-O 3.56Å; R263-E307 WeakPolarHBondContact CA-O 3.38Å; V264-E307 PolarHBondContact N-O 3.3Å
308F85Confident77.9Confident93 Ų9379.5 Ų79.541%0.40841%0.406SS..EExtended strand (participates in β ladder)trans-98125.5177-63.4-85.1000109.7V264 M306 Y312V264-F308 HydrophobicContact CB-CD1 3.73Å; V264-F308 HydrophobicContact CB-CE1 4.1Å; V264-F308 HydrophobicContact CG1-CD1 4.09Å; V264-F308 HydrophobicContact CG1-CE1 4.3Å; V264-F308 HydrophobicContact CG2-CD1 3.94Å; V264-F308 HydrophobicContact CG2-CE1 3.85Å; M306-F308 HydrophobicContact CE-CE1 3.98Å; M306-F308 HydrophobicContact CE-CZ 3.83Å; M306-F308 HydrophobicContact CG-CE2 4.22Å; M306-F308 HydrophobicContact CG-CZ 4.14Å; M306-F308 HydrophobicContact SD-CZ 4.06Å; F308-Y312 HydrophobicContact CB-CD1 4.06Å; F308-Y312 AromaticContact CD1-CD1 3.6Å; F308-Y312 HydrophobicContact CD1-CD1 3.6Å; F308-Y312 HydrophobicContact CD1-CD2 4.48Å; F308-Y312 AromaticContact CD1-CE1 3.5Å; F308-Y312 HydrophobicContact CD1-CE1 3.5Å; F308-Y312 HydrophobicContact CD1-CE2 4.4Å; F308-Y312 HydrophobicContact CD1-CG 4.11Å; F308-Y312 AromaticContact CD1-CZ 3.93Å; F308-Y312 HydrophobicContact CE1-CD1 4.48Å; F308-Y312 AromaticContact CE1-CE1 3.97Å; F308-Y312 HydrophobicContact CE1-CE1 3.97Å; F308-Y312 HydrophobicContact CG-CD1 4.2Å; F308-Y312 HydrophobicContact CG-CE1 4.31Å
309T81.9Confident76Confident36 Ų3684.6 Ų84.622%0.22144%0.439CS..  trans-81.2159.1-176.7-34.90000111.1V264 E311 Y312 V313V264-T309 WeakPolarHBondContact O-CB 3.49Å; V264-T309 PolarHBondContact O-N 2.62Å; V264-T309 PolarHBondContact O-OG1 3.35Å; T309-E311 WeakPolarHBondContact CB-OE2 3.38Å; T309-E311 WeakPolarHBondContact CG2-OE2 3.27Å; T309-E311 PolarHBondContact O-N 3.03Å; T309-Y312 WeakPolarHBondContact O-CB 3.45Å; T309-Y312 PolarHBondContact O-N 3.48Å; T309-V313 PolarHBondContact O-N 2.88Å
310S70.4Confident74Confident84 Ų8487.7 Ų87.759%0.58746%0.458SS*.Hα-helixtrans-51.8-38173.733.20000113.3Y312 V313 A314S310-Y312 VanDerWaalsContact C-N 3.31Å; S310-Y312 PolarHBondContact O-N 3.28Å; S310-V313 PolarHBondContact O-N 3.15Å; S310-A314 PolarHBondContact O-N 3.32Å
311E72.6Confident72.1Confident105 Ų10583.8 Ų83.849%0.49145%0.446SS..Hα-helixtrans-64.7-34.8178.1-58.578.7-119.600112.2T309 A314 F315T309-E311 WeakPolarHBondContact CB-OE2 3.38Å; T309-E311 WeakPolarHBondContact CG2-OE2 3.27Å; T309-E311 PolarHBondContact O-N 3.03Å; E311-A314 PolarHBondContact O-N 3.46Å; E311-F315 WeakPolarHBondContact O-CB 3.45Å; E311-F315 PolarHBondContact O-N 3.4Å
312Y77.2Confident69.8Low30 Ų3087.1 Ų87.112%0.11847%0.472CS..Hα-helixtrans-65.2-43.4175.9175.5-93.5000111V264 H265 P267 F308 T309 S310 F315 K316V264-Y312 HydrophobicContact CG1-CD2 3.48Å; V264-Y312 VanDerWaalsContact CG1-CD2 3.48Å; V264-Y312 HydrophobicContact CG1-CE2 3.74Å; V264-Y312 HydrophobicContact CG1-CG 4.15Å; H265-Y312 WeakPolarHBondContact O-CA 3.39Å; H265-Y312 PolarHBondContact O-N 3.04Å; H265-Y312 VanDerWaalsContact O-N 3.16Å; P267-Y312 HydrophobicContact CG-CD2 4.29Å; P267-Y312 HydrophobicContact CG-CE2 3.93Å; F308-Y312 HydrophobicContact CB-CD1 4.06Å; F308-Y312 AromaticContact CD1-CD1 3.6Å; F308-Y312 HydrophobicContact CD1-CD1 3.6Å; F308-Y312 HydrophobicContact CD1-CD2 4.48Å; F308-Y312 AromaticContact CD1-CE1 3.5Å; F308-Y312 HydrophobicContact CD1-CE1 3.5Å; F308-Y312 HydrophobicContact CD1-CE2 4.4Å; F308-Y312 HydrophobicContact CD1-CG 4.11Å; F308-Y312 AromaticContact CD1-CZ 3.93Å; F308-Y312 HydrophobicContact CE1-CD1 4.48Å; F308-Y312 AromaticContact CE1-CE1 3.97Å; F308-Y312 HydrophobicContact CE1-CE1 3.97Å; F308-Y312 HydrophobicContact CG-CD1 4.2Å; F308-Y312 HydrophobicContact CG-CE1 4.31Å; T309-Y312 WeakPolarHBondContact O-CB 3.45Å; T309-Y312 PolarHBondContact O-N 3.48Å; S310-Y312 VanDerWaalsContact C-N 3.31Å; S310-Y312 PolarHBondContact O-N 3.28Å; Y312-F315 PolarHBondContact O-N 2.9Å; Y312-K316 HydrophobicContact CE1-CD 4.49Å; Y312-K316 PolarHBondContact O-N 3.21Å
313V71.8Confident67.5Low91 Ų9192.8 Ų92.855%0.55251%0.51SS*.Hα-helixtrans-64.2-42.9178-178.60000110.6T309 S310 K316 A317T309-V313 PolarHBondContact O-N 2.88Å; S310-V313 PolarHBondContact O-N 3.15Å; V313-K316 PolarHBondContact O-N 3.41Å; V313-A317 WeakPolarHBondContact O-CB 3.4Å; V313-A317 PolarHBondContact O-N 3.23Å
314A68.3Low65Low61 Ų6192.3 Ų92.350%0.50452%0.516SS..Hα-helixtrans-63.2-40.8175.300000112.4S310 E311 A317 T318S310-A314 PolarHBondContact O-N 3.32Å; E311-A314 PolarHBondContact O-N 3.46Å; A314-A317 PolarHBondContact O-N 2.94Å; A314-T318 PolarHBondContact O-N 3.17Å; A314-T318 PolarHBondContact O-OG1 3.29Å; A314-T318 VanDerWaalsContact O-OG1 3.06Å
315F69.3Low62.5Low42 Ų4291.8 Ų91.818%0.18451%0.513CS..Hα-helixtrans-63.7-43175.6-167.5-81.5000111.3A5 I7 P267 Y268 E311 Y312 T318A5-F315 HydrophobicContact CB-CD2 3.54Å; A5-F315 HydrophobicContact CB-CE2 3.63Å; A5-F315 HydrophobicContact CB-CG 4.35Å; A5-F315 HydrophobicContact CB-CZ 4.49Å; A5-F315 WeakPolarHBondContact O-CE2 3.46Å; I7-F315 HydrophobicContact CG1-CE2 4.44Å; I7-F315 HydrophobicContact CG1-CZ 4.45Å; P267-F315 VanDerWaalsContact CD-CD1 3.41Å; P267-F315 HydrophobicContact CG-CD1 3.53Å; P267-F315 HydrophobicContact CG-CE1 3.71Å; P267-F315 HydrophobicContact CG-CG 4.46Å; Y268-F315 HydrophobicContact CD2-CZ 4.41Å; Y268-F315 HydrophobicContact CE2-CE1 4.21Å; Y268-F315 AromaticContact CE2-CZ 3.93Å; Y268-F315 HydrophobicContact CE2-CZ 3.93Å; E311-F315 WeakPolarHBondContact O-CB 3.45Å; E311-F315 PolarHBondContact O-N 3.4Å; Y312-F315 PolarHBondContact O-N 2.9Å; F315-T318 WeakPolarHBondContact O-CB 3.48Å; F315-T318 PolarHBondContact O-N 3.45Å
316K68Low59.8Low156 Ų15698.4 Ų98.468%0.67855%0.545SS*.Hα-helixtrans-70.7-29.6179.3-131.1-154.5-174.5-170.20113.5Y312 V313 T318Y312-K316 HydrophobicContact CE1-CD 4.49Å; Y312-K316 PolarHBondContact O-N 3.21Å; V313-K316 PolarHBondContact O-N 3.41Å; K316-T318 PolarHBondContact O-N 3.36Å
317A61.2Low57.1Low78 Ų78100.5 Ų100.565%0.64557%0.572SS**Hα-helixtrans-74.2-12.5175.700000112.9V313 A314 P319V313-A317 WeakPolarHBondContact O-CB 3.4Å; V313-A317 PolarHBondContact O-N 3.23Å; A314-A317 PolarHBondContact O-N 2.94Å; A317-P319 WeakPolarHBondContact O-CD 3.41Å
318T57.2Low54.4Low50 Ų50101.6 Ų101.631%0.30759%0.586SS.*SBendtrans-76.1118.8175.1-54.80000109A5 A314 F315 K316 L320A5-T318 HydrophobicContact CB-CG2 4.38Å; A314-T318 PolarHBondContact O-N 3.17Å; A314-T318 PolarHBondContact O-OG1 3.29Å; A314-T318 VanDerWaalsContact O-OG1 3.06Å; F315-T318 WeakPolarHBondContact O-CB 3.48Å; F315-T318 PolarHBondContact O-N 3.45Å; K316-T318 PolarHBondContact O-N 3.36Å; T318-L320 PolarHBondContact O-N 3.32Å
319P46.9Very low52Low106 Ų106103.7 Ų103.769%0.68860%0.6SS**  trans-58.6126-176.5-22.231.5000111.9A317 S321A317-P319 WeakPolarHBondContact O-CD 3.41Å; P319-S321 PolarHBondContact O-N 3.02Å
320L44.3Very low49.4Very low144 Ų144113.5 Ų113.575%0.75463%0.633SS**  trans-67.2110.9164.4-80.6149000107.3T318 S322T318-L320 PolarHBondContact O-N 3.32Å; L320-S322 PolarHBondContact O-N 2.89Å; L320-S322 VanDerWaalsContact O-N 3.14Å
321S43.8Very low47.6Very low78 Ų78116.2 Ų116.255%0.54564%0.641SS.*  trans-66.1114.5178.353.80000110.6P319P319-S321 PolarHBondContact O-N 3.02Å
322S32.4Very low45.7Very low98 Ų98119 Ų11969%0.68566%0.659SS**  trans-77.8151.7156.353.50000109.5L320L320-S322 PolarHBondContact O-N 2.89Å; L320-S322 VanDerWaalsContact O-N 3.14Å
323P36.2Very low43.2Very low124 Ų124121 Ų12181%0.80569%0.69SS**  trans-65.2140.1173.227.7-31.7000110.2K325P323-K325 PolarHBondContact O-N 3.34Å; P323-K325 VanDerWaalsContact O-N 3.13Å
324D32.3Very low41.4Very low165 Ų165124.8 Ų124.888%0.88271%0.706SS**  trans-42.8112.5-179.7-71.9-43.6000112.8
325K31.8Very low39.5Very low202 Ų202129.8 Ų129.888%0.87872%0.72SS**  trans-137.1116.5140-73.4-162.7179.3-177.90108.8P323P323-K325 PolarHBondContact O-N 3.34Å; P323-K325 VanDerWaalsContact O-N 3.13Å
326E31.5Very low37.5Very low200 Ų200136.1 Ų136.194%0.93575%0.75SS**  trans-47.9137.4171.1-166.7159.7-164.800112.3
327G30.5Very low35.4Very low64 Ų64137.3 Ų137.366%0.6676%0.756SS**  trans92.898.8165.200000115.6
328T29.1Very low33.8Very low127 Ų127139.3 Ų139.378%0.77976%0.764SS**  178.5124.292.5-48.40000108.5
329I34.6Very low32.3Very low136 Ų136145.1 Ų145.170%0.69779%0.787SS**  trans-65.9128178.1-64.7158.5000110.1
330W28.8Very low31.2Very low242 Ų242147.2 Ų147.292%0.91779%0.793SS**  trans-136.4105.5147-72.783.8000108.4
331N32.8Very low30.3Very low141 Ų141146.1 Ų146.175%0.75479%0.792SS**  trans-69.7135.3170.3-80.5-46.5000110.3
332D31.6Very low29.3Very low164 Ų164151 Ų15188%0.87781%0.807SS**  35.3136.9122.2-143.16000120.6
333G26Very low29Very low73 Ų73154.1 Ų154.175%0.75381%0.814SS**  trans140.267.4161.800000116.5
334L32.4Very low28.7Very low170 Ų170153.6 Ų153.689%0.8981%0.811SS**  trans-102.690.3156.5-166.1131.5000108.7
335M29Very low28.3Very low165 Ų165151.3 Ų151.381%0.81380%0.803SS**  trans-167.1135.5144.4-86.7-133.981.600110.5
336Q26.5Very low27.9Very low175 Ų175150 Ų15082%0.81880%0.8SS**  trans87.1102.9149.6-14215624.600116.8
337K25.3Very low27.6Very low181 Ų181148.6 Ų148.679%0.78780%0.798SS**  169.9126.190.8-159.6171-179.4-1770110.2
338C27Very low27.5Very low120 Ų120151.5 Ų151.581%0.81181%0.805SS**  trans-60.3133.4161-64.90000109.4
339Q26.4Very low27.3Very low172 Ų172150.6 Ų150.680%0.80481%0.81SS**  trans-165.9135.8134.5-106.1168.335.600110
340D24Very low26.8Very low150 Ų150147.4 Ų147.480%0.80281%0.812SS**  trans-45.9152.5171.2-55.9-68.7000112.8
341T24.7Very low26.6Very low122 Ų122145.3 Ų145.375%0.74881%0.812SS**  trans-180105.5132.3-70.70000109.9
342E22.1Very low26.6Very low181 Ų181147.1 Ų147.185%0.84682%0.821SS**  trans57.3117.5133-56.3178.3160.300121.5
343L27.4Very low26.6Very low162 Ų162144.4 Ų144.485%0.84882%0.815SS**  trans-73.5157.6150.1-68.7166.1000110
344P28.3Very low27.1Very low114 Ų114149.5 Ų149.574%0.7482%0.819SS**  -134.8139.498.310.312.7000113.1
345V24.1Very low26.9Very low116 Ų116149.7 Ų149.770%0.70382%0.82SS**  61.6121.189.7-177.20000110.3
346E23.1Very low27Very low174 Ų174150 Ų15081%0.81382%0.819SS**  cis-168.8144.738.3-139.4155.7-166.700107.8
347L25.8Very low27.3Very low171 Ų171148.2 Ų148.290%0.89582%0.82SS**  trans-122.8129.4162.4-80.3171.4000107.9
348P28.2Very low27.5Very low125 Ų125148.7 Ų148.781%0.81283%0.825SS**  trans-79.1143.1174.631.5-29.9000110.9
349A24.9Very low27.9Very low108 Ų108146.7 Ų146.789%0.89382%0.817SS**  trans-70.1150.9179.100000113.1
350G24.2Very low28.3Very low70 Ų70146.7 Ų146.772%0.72282%0.822SS**  trans130.493.9154.500000113.8
351E25.4Very low29.1Very low198 Ų198147.9 Ų147.993%0.92582%0.822SS**  -179.7113.2121.9-97.7175.4-17700109.7S353E351-S353 PolarHBondContact O-N 2.67Å
352L33Very low30.3Very low179 Ų179146.9 Ų146.994%0.93782%0.818SS**  trans-72.6106.9167.3-82.4167.6000108.3
353S31.6Very low32.1Very low107 Ų107142.4 Ų142.475%0.74881%0.807SS**  trans-159.1123.2151.6-90.20000112.4E351E351-S353 PolarHBondContact O-N 2.67Å
354Q35.7Very low33.7Very low179 Ų179136.6 Ų136.684%0.83678%0.778SS**  trans68.278.2155.8-56.6-178.88.400117.8
355L28.9Very low36.1Very low175 Ų175134.1 Ų134.192%0.91676%0.764SS**  trans-103.399.5148.4-100.5157.6000108.5V357L355-V357 PolarHBondContact O-N 2.82Å
356Q30.3Very low38.6Very low172 Ų172135.2 Ų135.280%0.80476%0.761SS**  trans-49.7126.3163-74.6172.48.900108.8Q358Q356-Q358 PolarHBondContact O-N 3.08Å
357V33.1Very low41.3Very low137 Ų137129.9 Ų129.983%0.8375%0.747SS**  trans-53.5105.6159.8172.80000106.4L355 A359L355-V357 PolarHBondContact O-N 2.82Å; V357-A359 PolarHBondContact O-N 2.84Å
358Q28.5Very low43.8Very low190 Ų190123.7 Ų123.789%0.88871%0.713SS**  trans-6886.2168.1-159.7168.944.900106.2Q356 L360Q356-Q358 PolarHBondContact O-N 3.08Å; Q358-L360 PolarHBondContact O-N 2.82Å
359A36.6Very low46.3Very low79 Ų79119.7 Ų119.765%0.65369%0.691SS**  trans-57.6109.2168.900000107.1V357 Q361V357-A359 PolarHBondContact O-N 2.84Å; A359-Q361 PolarHBondContact O-N 2.76Å
360L34.8Very low49Very low171 Ų171120.3 Ų120.390%0.89568%0.675SS**  trans-53.2111.9167.1-148.280.5000107Q358Q358-L360 PolarHBondContact O-N 2.82Å
361Q40Very low52Low175 Ų175121.7 Ų121.782%0.81866%0.663SS**  trans-53.1145.8178.1-80.4-104.8-15.300111.3A359A359-Q361 PolarHBondContact O-N 2.76Å
362P50.5Low54.8Low101 Ų101113.7 Ų113.766%0.65663%0.626SS**  trans-71.1130.5-175.629.5-32.3000110.5V364P362-V364 PolarHBondContact O-N 2.82Å
363S60.2Low57.2Low87 Ų87111.7 Ų111.761%0.60861%0.61SS**SBendtrans-74.513.8179.855.30000114.8
364V60.3Low59.9Low41 Ų41112.1 Ų112.125%0.24860%0.6CS.*SBendtrans-143.8130.8-178-178.10000108.1P362 E368 A369P362-V364 PolarHBondContact O-N 2.82Å; V364-E368 HydrophobicContact CG1-CB 3.87Å; V364-A369 HydrophobicContact CG1-CB 4.16Å
365S79.8Confident62.3Low62 Ų62104.6 Ų104.643%0.43457%0.565SS.*  trans-68144.9175.6175.10000110.5A367 E368 A369S365-A367 PolarHBondContact O-N 3.3Å; S365-A367 VanDerWaalsContact O-N 3.15Å; S365-E368 PolarHBondContact N-OE2 3.37Å; S365-E368 WeakPolarHBondContact O-CB 3.33Å; S365-E368 PolarHBondContact O-N 2.93Å; S365-A369 PolarHBondContact O-N 3.25Å
366Q76.6Confident65.1Low138 Ų138100.2 Ų100.265%0.64554%0.542SS*.Hα-helixtrans-55.7-33.2178.3-178.363.513.200112.6Q370Q366-Q370 WeakPolarHBondContact O-CG 3.44Å; Q366-Q370 PolarHBondContact O-N 3.5Å
367A77.9Confident67.9Low63 Ų6396.9 Ų96.952%0.52153%0.528SS..Hα-helixtrans-67.7-42.7175.400000112S365 A369 Q370 E371S365-A367 PolarHBondContact O-N 3.3Å; S365-A367 VanDerWaalsContact O-N 3.15Å; A367-A369 VanDerWaalsContact C-N 3.35Å; A367-A369 PolarHBondContact O-N 3.02Å; A367-Q370 PolarHBondContact O-N 3.32Å; A367-E371 PolarHBondContact O-N 3.31Å
368E79.8Confident70.5Confident41 Ų4194.2 Ų94.219%0.19251%0.506CS..Hα-helixtrans-67-37177.8-63.1170157.100111.4S117 I123 V364 S365 Q370 E371 L372S117-E368 WeakPolarHBondContact CB-OE1 3.32Å; S117-E368 PolarHBondContact OG-OE1 3.47Å; I123-E368 HydrophobicContact CD1-CB 4.05Å; I123-E368 HydrophobicContact CD1-CG 4.37Å; V364-E368 HydrophobicContact CG1-CB 3.87Å; S365-E368 PolarHBondContact N-OE2 3.37Å; S365-E368 WeakPolarHBondContact O-CB 3.33Å; S365-E368 PolarHBondContact O-N 2.93Å; E368-Q370 VanDerWaalsContact C-N 3.34Å; E368-E371 PolarHBondContact O-N 2.82Å; E368-L372 VanDerWaalsContact O-CB 3.27Å; E368-L372 WeakPolarHBondContact O-CB 3.35Å; E368-L372 PolarHBondContact O-N 2.85Å
369A79.8Confident73.5Confident41 Ų4187 Ų8734%0.33947%0.474SS..Hα-helixtrans-65.4-36.6175.800000112.3V364 S365 A367 K373V364-A369 HydrophobicContact CG1-CB 4.16Å; S365-A369 PolarHBondContact O-N 3.25Å; A367-A369 VanDerWaalsContact C-N 3.35Å; A367-A369 PolarHBondContact O-N 3.02Å; A369-K373 WeakPolarHBondContact O-CB 3.44Å; A369-K373 PolarHBondContact O-N 2.64Å
370Q82.8Confident76.1Confident121 Ų12189.6 Ų89.657%0.56547%0.47SS*.Hα-helixtrans-69.7-42.8175.5-75.2-179.6-17.500112.1Q366 A367 E368 K373 Q374Q366-Q370 WeakPolarHBondContact O-CG 3.44Å; Q366-Q370 PolarHBondContact O-N 3.5Å; A367-Q370 PolarHBondContact O-N 3.32Å; E368-Q370 VanDerWaalsContact C-N 3.34Å; Q370-K373 WeakPolarHBondContact O-CB 3.29Å; Q370-K373 PolarHBondContact O-N 3.22Å; Q370-Q374 PolarHBondContact O-N 2.86Å
371E86.3Confident78.7Confident98 Ų9885.9 Ų85.946%0.45845%0.451SS..Hα-helixtrans-62-46.4176-164.8-174.9163.600111.1I123 A367 E368 K373 Q374 M375I123-E371 HydrophobicContact CD1-CB 4.29Å; I123-E371 HydrophobicContact CD1-CG 4.46Å; A367-E371 PolarHBondContact O-N 3.31Å; E368-E371 PolarHBondContact O-N 2.82Å; E371-K373 VanDerWaalsContact C-N 3.31Å; E371-K373 PolarHBondContact O-N 3.39Å; E371-Q374 PolarHBondContact O-N 2.9Å; E371-Q374 VanDerWaalsContact O-N 3.12Å; E371-M375 HydrophobicContact CB-CE 4.47Å; E371-M375 HydrophobicContact CG-CE 3.75Å; E371-M375 PolarHBondContact O-N 3.23Å
372L84.3Confident81Confident30 Ų3079.2 Ų79.216%0.15742%0.421CS..Hα-helixtrans-59.6-41.3175.9-17267.4000111.7L122 I123 V126 E368 Q374 M375 L376L122-L372 HydrophobicContact CB-CD1 4.1Å; L122-L372 HydrophobicContact CB-CD2 4.19Å; L122-L372 HydrophobicContact CD1-CD2 4.25Å; I123-L372 HydrophobicContact CG1-CB 4.4Å; I123-L372 HydrophobicContact CG1-CD1 4.34Å; V126-L372 HydrophobicContact CB-CD1 4.16Å; V126-L372 HydrophobicContact CG2-CD1 3.61Å; E368-L372 VanDerWaalsContact O-CB 3.27Å; E368-L372 WeakPolarHBondContact O-CB 3.35Å; E368-L372 PolarHBondContact O-N 2.85Å; L372-Q374 VanDerWaalsContact C-N 3.32Å; L372-Q374 PolarHBondContact O-N 2.85Å; L372-M375 PolarHBondContact O-N 2.96Å; L372-L376 HydrophobicContact CG-CD1 4.07Å; L372-L376 HydrophobicContact CG-CG 4.48Å; L372-L376 WeakPolarHBondContact O-CB 3.42Å; L372-L376 VanDerWaalsContact O-CG 3.23Å; L372-L376 WeakPolarHBondContact O-CG 3.26Å; L372-L376 PolarHBondContact O-N 3.1Å
373K83.4Confident82.9Confident138 Ų13876.4 Ų76.460%0.641%0.407SS*.Hα-helixtrans-60.9-41.7175.6-176-176.5176.2-178.10111.6A369 Q370 E371 M377A369-K373 WeakPolarHBondContact O-CB 3.44Å; A369-K373 PolarHBondContact O-N 2.64Å; Q370-K373 WeakPolarHBondContact O-CB 3.29Å; Q370-K373 PolarHBondContact O-N 3.22Å; E371-K373 VanDerWaalsContact C-N 3.31Å; E371-K373 PolarHBondContact O-N 3.39Å; K373-M377 HydrophobicContact CG-CE 4.25Å; K373-M377 WeakPolarHBondContact O-CG 3.41Å; K373-M377 PolarHBondContact O-N 3.47Å; K373-M377 VanDerWaalsContact O-N 3.08Å
374Q88Confident84.3Confident115 Ų11576.1 Ų76.154%0.53740%0.397SS..Hα-helixtrans-65.8-46.3178.4-173.8175.4-000111.7Q370 E371 L372 L376 M377 Q378Q370-Q374 PolarHBondContact O-N 2.86Å; E371-Q374 PolarHBondContact O-N 2.9Å; E371-Q374 VanDerWaalsContact O-N 3.12Å; L372-Q374 VanDerWaalsContact C-N 3.32Å; L372-Q374 PolarHBondContact O-N 2.85Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-L376 PolarHBondContact O-N 2.91Å; Q374-M377 PolarHBondContact O-N 3.05Å; Q374-Q378 PolarHBondContact O-N 2.87Å; Q374-Q378 VanDerWaalsContact O-N 3.07Å
375M87Confident85.6Confident21 Ų2180 Ų8010%0.10341%0.413CS..Hα-helixtrans-65.8-36177.6-74.4-176.9-76.600112.6I123 V126 A127 E371 L372 M377 Q378 L379I123-M375 HydrophobicContact CB-CE 3.79Å; I123-M375 HydrophobicContact CG1-CE 3.58Å; I123-M375 HydrophobicContact CG2-CE 3.4Å; I123-M375 HydrophobicContact CG2-SD 4.23Å; V126-M375 HydrophobicContact CG1-CB 3.64Å; A127-M375 HydrophobicContact CB-SD 4.29Å; E371-M375 HydrophobicContact CB-CE 4.47Å; E371-M375 HydrophobicContact CG-CE 3.75Å; E371-M375 PolarHBondContact O-N 3.23Å; L372-M375 PolarHBondContact O-N 2.96Å; M375-M377 VanDerWaalsContact C-N 3.34Å; M375-M377 PolarHBondContact O-N 2.77Å; M375-Q378 PolarHBondContact O-N 3.46Å; M375-L379 WeakPolarHBondContact O-CB 3.33Å; M375-L379 PolarHBondContact O-N 3.1Å
376L87.5Confident86.1Confident83 Ų8377.6 Ų77.644%0.43540%0.397SS..Hα-helixtrans-65.8-36174.1-74.2171.9000112.4V126 L372 Q374 K380V126-L376 HydrophobicContact CG1-CD2 4.18Å; V126-L376 HydrophobicContact CG1-CG 4.45Å; V126-L376 HydrophobicContact CG2-CD2 3.99Å; L372-L376 HydrophobicContact CG-CD1 4.07Å; L372-L376 HydrophobicContact CG-CG 4.48Å; L372-L376 WeakPolarHBondContact O-CB 3.42Å; L372-L376 VanDerWaalsContact O-CG 3.23Å; L372-L376 WeakPolarHBondContact O-CG 3.26Å; L372-L376 PolarHBondContact O-N 3.1Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-L376 PolarHBondContact O-N 2.91Å; L376-K380 WeakPolarHBondContact O-CB 3.36Å; L376-K380 PolarHBondContact O-N 3.42Å
377M89.4Confident86.7Confident102 Ų10276.3 Ų76.350%0.50239%0.391SS..Hα-helixtrans-65.2-40.5172.7-75-174.1-65.600111.7K373 Q374 M375 K380 N381K373-M377 HydrophobicContact CG-CE 4.25Å; K373-M377 WeakPolarHBondContact O-CG 3.41Å; K373-M377 PolarHBondContact O-N 3.47Å; K373-M377 VanDerWaalsContact O-N 3.08Å; Q374-M377 PolarHBondContact O-N 3.05Å; M375-M377 VanDerWaalsContact C-N 3.34Å; M375-M377 PolarHBondContact O-N 2.77Å; M377-K380 PolarHBondContact O-N 3.44Å; M377-N381 PolarHBondContact O-N 3.01Å; M377-N381 VanDerWaalsContact O-N 3.08Å; M377-N381 PolarHBondContact O-OD1 2.8Å
378Q88.1Confident87.1Confident81 Ų8177.3 Ų77.338%0.37939%0.391SS..Hα-helixtrans-65.8-44.4175.6-70.8-179.5-18.700112.1Q374 M375 K380 N381 L382Q374-Q378 PolarHBondContact O-N 2.87Å; Q374-Q378 VanDerWaalsContact O-N 3.07Å; M375-Q378 PolarHBondContact O-N 3.46Å; Q378-K380 VanDerWaalsContact C-N 3.28Å; Q378-K380 PolarHBondContact O-N 3.32Å; Q378-N381 PolarHBondContact O-N 3.24Å; Q378-N381 VanDerWaalsContact O-N 3.17Å; Q378-L382 PolarHBondContact O-N 2.74Å
379L91.4Very high87.5Confident38 Ų3877.3 Ų77.320%0.19939%0.391CS..Hα-helixtrans-59.5-40.7175.6-174.471.3000111.5A129 Q130 L133 M375 L382 A383A129-L379 HydrophobicContact CB-CD1 4.14Å; A129-L379 HydrophobicContact CB-CD2 4.31Å; Q130-L379 HydrophobicContact CB-CD1 4.27Å; L133-L379 HydrophobicContact CB-CD1 4.24Å; L133-L379 HydrophobicContact CD2-CD1 3.64Å; L133-L379 HydrophobicContact CD2-CG 4.35Å; M375-L379 WeakPolarHBondContact O-CB 3.33Å; M375-L379 PolarHBondContact O-N 3.1Å; L379-L382 PolarHBondContact O-N 2.86Å; L379-A383 WeakPolarHBondContact O-CB 3.48Å; L379-A383 PolarHBondContact O-N 3.1Å
380K89.4Confident87.9Confident135 Ų13579.6 Ų79.659%0.58740%0.397SS*.Hα-helixtrans-60.6-45.7174.8-179.3-172.6171.8-173.60111.6L376 M377 Q378 A383 L384L376-K380 WeakPolarHBondContact O-CB 3.36Å; L376-K380 PolarHBondContact O-N 3.42Å; M377-K380 PolarHBondContact O-N 3.44Å; Q378-K380 VanDerWaalsContact C-N 3.28Å; Q378-K380 PolarHBondContact O-N 3.32Å; K380-A383 PolarHBondContact O-N 3.34Å; K380-L384 HydrophobicContact CG-CD1 4.25Å; K380-L384 WeakPolarHBondContact O-CG 3.38Å; K380-L384 PolarHBondContact O-N 3.38Å
381N89.8Confident88.1Confident92 Ų9279.5 Ų79.549%0.49240%0.396SS..Hα-helixtrans-64.1-45.1180-68.9-8000111.4M377 Q378 A383 L384 E385M377-N381 PolarHBondContact O-N 3.01Å; M377-N381 VanDerWaalsContact O-N 3.08Å; M377-N381 PolarHBondContact O-OD1 2.8Å; Q378-N381 PolarHBondContact O-N 3.24Å; Q378-N381 VanDerWaalsContact O-N 3.17Å; N381-A383 VanDerWaalsContact C-N 3.28Å; N381-A383 PolarHBondContact O-N 3.39Å; N381-L384 PolarHBondContact O-N 2.94Å; N381-E385 WeakPolarHBondContact O-CG 3.44Å; N381-E385 PolarHBondContact O-N 3.43Å
382L89.8Confident88.4Confident36 Ų3678.4 Ų78.419%0.18839%0.388CS..Hα-helixtrans-61.7-36.2175.3-72.2170.6000112.5Q130 L133 E134 Q378 L379 E385 A386Q130-L382 HydrophobicContact CG-CD1 3.77Å; L133-L382 HydrophobicContact CD2-CB 3.77Å; L133-L382 HydrophobicContact CG-CB 4.08Å; E134-L382 HydrophobicContact CB-CD1 4.42Å; Q378-L382 PolarHBondContact O-N 2.74Å; L379-L382 PolarHBondContact O-N 2.86Å; L382-E385 PolarHBondContact O-N 2.94Å; L382-A386 WeakPolarHBondContact O-CB 3.47Å; L382-A386 PolarHBondContact O-N 3.49Å
383A90.3Very high88.6Confident42 Ų4277.5 Ų77.535%0.34738%0.383SS..Hα-helixtrans-66.8-41.6176.500000111.6L133 L379 K380 N381 A386 E387L133-A383 HydrophobicContact CD2-CB 3.91Å; L379-A383 WeakPolarHBondContact O-CB 3.48Å; L379-A383 PolarHBondContact O-N 3.1Å; K380-A383 PolarHBondContact O-N 3.34Å; N381-A383 VanDerWaalsContact C-N 3.28Å; N381-A383 PolarHBondContact O-N 3.39Å; A383-A386 PolarHBondContact O-N 3.18Å; A383-E387 WeakPolarHBondContact O-CB 3.46Å; A383-E387 PolarHBondContact O-N 3.41Å
384L89.8Confident88.7Confident80 Ų8075.9 Ų75.942%0.41938%0.381SS..Hα-helixtrans-64.4-43.1175.5-71.5169.6000111.5K380 N381 A386 E387 T388K380-L384 HydrophobicContact CG-CD1 4.25Å; K380-L384 WeakPolarHBondContact O-CG 3.38Å; K380-L384 PolarHBondContact O-N 3.38Å; N381-L384 PolarHBondContact O-N 2.94Å; L384-A386 PolarHBondContact O-N 3.41Å; L384-E387 PolarHBondContact O-N 2.87Å; L384-T388 WeakPolarHBondContact O-CG2 3.5Å; L384-T388 PolarHBondContact O-N 3.16Å; L384-T388 PolarHBondContact O-OG1 3.18Å
385E87.5Confident88.7Confident123 Ų12376.9 Ų76.958%0.57539%0.386SS*.Hα-helixtrans-61.1-44.2175.7-72.7172-168.900111.6N381 L382 E387 T388 E389N381-E385 WeakPolarHBondContact O-CG 3.44Å; N381-E385 PolarHBondContact O-N 3.43Å; L382-E385 PolarHBondContact O-N 2.94Å; E385-E387 PolarHBondContact O-N 3.31Å; E385-T388 WeakPolarHBondContact CA-OG1 3.47Å; E385-T388 PolarHBondContact O-N 3.23Å; E385-T388 PolarHBondContact O-OG1 3.35Å; E385-E389 PolarHBondContact O-N 3.44Å
386A90.3Very high88.7Confident12 Ų1276.7 Ų76.710%0.09939%0.386CS..Hα-helixtrans-64-39.1176.200000112.7L133 L140 L382 A383 L384 E389 L390L133-A386 HydrophobicContact CD1-CB 4.41Å; L140-A386 HydrophobicContact CD1-CB 3.92Å; L382-A386 WeakPolarHBondContact O-CB 3.47Å; L382-A386 PolarHBondContact O-N 3.49Å; A383-A386 PolarHBondContact O-N 3.18Å; L384-A386 PolarHBondContact O-N 3.41Å; A386-E389 PolarHBondContact O-N 3.01Å; A386-L390 WeakPolarHBondContact O-CB 3.48Å; A386-L390 WeakPolarHBondContact O-CG 3.22Å; A386-L390 PolarHBondContact O-N 2.86Å
387E87.7Confident88.8Confident110 Ų11076.1 Ų76.151%0.51438%0.383SS..Hα-helixtrans-62.9-46.6175-175171-156.400110.9A383 L384 E385 E389 L390 E391A383-E387 WeakPolarHBondContact O-CB 3.46Å; A383-E387 PolarHBondContact O-N 3.41Å; L384-E387 PolarHBondContact O-N 2.87Å; E385-E387 PolarHBondContact O-N 3.31Å; E387-E389 VanDerWaalsContact C-N 3.34Å; E387-E389 PolarHBondContact O-N 3.4Å; E387-L390 PolarHBondContact O-N 3.37Å; E387-E391 PolarHBondContact O-N 3.38Å
388T87.4Confident88.6Confident85 Ų8576.5 Ų76.552%0.52139%0.387SS..Hα-helixtrans-63.9-36.5177.9550000113.3L384 E385 R392L384-T388 WeakPolarHBondContact O-CG2 3.5Å; L384-T388 PolarHBondContact O-N 3.16Å; L384-T388 PolarHBondContact O-OG1 3.18Å; E385-T388 WeakPolarHBondContact CA-OG1 3.47Å; E385-T388 PolarHBondContact O-N 3.23Å; E385-T388 PolarHBondContact O-OG1 3.35Å; T388-R392 PolarHBondContact O-N 2.83Å; T388-R392 VanDerWaalsContact O-N 3.08Å
389E87.1Confident88.5Confident41 Ų4176.3 Ų76.319%0.19239%0.391CS..Hα-helixtrans-72.4-34176.5-179.855.7-156.200111.7L140 E385 A386 E387 R392 Q393L140-E389 HydrophobicContact CB-CG 4.2Å; E385-E389 PolarHBondContact O-N 3.44Å; A386-E389 PolarHBondContact O-N 3.01Å; E387-E389 VanDerWaalsContact C-N 3.34Å; E387-E389 PolarHBondContact O-N 3.4Å; E389-R392 PolarHBondContact O-N 3.45Å; E389-R392 IonicContact OE1-CZ 2.84Å; E389-R392 IonicContact OE1-NE 3.59Å; E389-R392 PolarHBondContact OE1-NE 2.91Å; E389-R392 IonicContact OE1-NH2 2.76Å; E389-R392 PolarHBondContact OE1-NH2 3.41Å; E389-R392 IonicContact OE2-CZ 2.92Å; E389-R392 IonicContact OE2-NE 3.24Å; E389-R392 PolarHBondContact OE2-NE 3.32Å; E389-R392 IonicContact OE2-NH2 3.86Å; E389-Q393 VanDerWaalsContact O-CG 3.29Å; E389-Q393 WeakPolarHBondContact O-CG 3.39Å; E389-Q393 PolarHBondContact O-N 2.81Å; E389-Q393 PolarHBondContact OE1-NE2 3.09Å
390L89.5Confident88.4Confident89 Ų8975.3 Ų75.347%0.46639%0.386SS..Hα-helixtrans-65.6-43.7173-78.4170.2000112L140 A386 E387 R392 Q393 D394L140-L390 HydrophobicContact CD1-CD1 4.43Å; L140-L390 HydrophobicContact CD1-CD2 4.46Å; L140-L390 HydrophobicContact CD1-CG 4.11Å; L140-L390 HydrophobicContact CD2-CD2 3.59Å; L140-L390 HydrophobicContact CD2-CG 4.14Å; A386-L390 WeakPolarHBondContact O-CB 3.48Å; A386-L390 WeakPolarHBondContact O-CG 3.22Å; A386-L390 PolarHBondContact O-N 2.86Å; E387-L390 PolarHBondContact O-N 3.37Å; L390-R392 VanDerWaalsContact C-N 3.31Å; L390-R392 PolarHBondContact O-N 2.91Å; L390-Q393 PolarHBondContact O-N 3.46Å; L390-D394 PolarHBondContact O-N 2.87Å
391E87.3Confident88.3Confident118 Ų11872.4 Ų72.455%0.55138%0.379SS*.Hα-helixtrans-58.7-44.4174.2-73.5-179168.600111E387 Q393 D394 E395E387-E391 PolarHBondContact O-N 3.38Å; E391-Q393 VanDerWaalsContact C-N 3.33Å; E391-Q393 PolarHBondContact O-N 3.28Å; E391-D394 PolarHBondContact O-N 2.95Å; E391-E395 PolarHBondContact O-N 2.96Å; E391-E395 VanDerWaalsContact O-N 3.17Å
392R90.6Very high88.2Confident76 Ų7670.9 Ų70.929%0.28738%0.376SS..Hα-helixtrans-59.9-42.3175.4-166.7-166.67485.7-2.8112.3G144 D148 T388 E389 L390 E395 V396G144-R392 PolarHBondContact O-NH2 2.93Å; D148-R392 IonicContact OD1-NH1 2.69Å; D148-R392 PolarHBondContact OD1-NH1 3.26Å; D148-R392 IonicContact OD2-NH1 3.62Å; D148-R392 IonicContact OD2-NH2 2.78Å; T388-R392 PolarHBondContact O-N 2.83Å; T388-R392 VanDerWaalsContact O-N 3.08Å; E389-R392 PolarHBondContact O-N 3.45Å; E389-R392 IonicContact OE1-CZ 2.84Å; E389-R392 IonicContact OE1-NE 3.59Å; E389-R392 PolarHBondContact OE1-NE 2.91Å; E389-R392 IonicContact OE1-NH2 2.76Å; E389-R392 PolarHBondContact OE1-NH2 3.41Å; E389-R392 IonicContact OE2-CZ 2.92Å; E389-R392 IonicContact OE2-NE 3.24Å; E389-R392 PolarHBondContact OE2-NE 3.32Å; E389-R392 IonicContact OE2-NH2 3.86Å; L390-R392 VanDerWaalsContact C-N 3.31Å; L390-R392 PolarHBondContact O-N 2.91Å; R392-E395 PolarHBondContact O-N 3.43Å; R392-V396 WeakPolarHBondContact O-CG2 3.45Å; R392-V396 PolarHBondContact O-N 3.33Å; R392-V396 VanDerWaalsContact O-N 3.15Å
393Q89.3Confident88Confident10 Ų1070.3 Ų70.35%0.04738%0.375CS..Hα-helixtrans-67.7-36.4179.7-73.6177.221.100112.7L140 G144 F147 E389 L390 E391 V396 L397L140-Q393 PolarHBondContact O-NE2 2.95Å; G144-Q393 VanDerWaalsContact N-NE2 3.16Å; F147-Q393 HydrophobicContact CD2-CB 4.24Å; F147-Q393 HydrophobicContact CD2-CG 3.94Å; F147-Q393 HydrophobicContact CE2-CB 4.17Å; F147-Q393 HydrophobicContact CE2-CG 4.16Å; E389-Q393 VanDerWaalsContact O-CG 3.29Å; E389-Q393 WeakPolarHBondContact O-CG 3.39Å; E389-Q393 PolarHBondContact O-N 2.81Å; E389-Q393 PolarHBondContact OE1-NE2 3.09Å; L390-Q393 PolarHBondContact O-N 3.46Å; E391-Q393 VanDerWaalsContact C-N 3.33Å; E391-Q393 PolarHBondContact O-N 3.28Å; Q393-V396 PolarHBondContact O-N 3.38Å; Q393-L397 WeakPolarHBondContact O-CB 3.48Å; Q393-L397 PolarHBondContact O-N 3.01Å
394D86.4Confident88.1Confident105 Ų10571.4 Ų71.456%0.56138%0.377SS*.Hα-helixtrans-61.6-45.3175.6-160.956.5000110.8L390 E391 V396 L397 D398L390-D394 PolarHBondContact O-N 2.87Å; E391-D394 PolarHBondContact O-N 2.95Å; D394-V396 PolarHBondContact O-N 3.5Å; D394-L397 WeakPolarHBondContact O-CB 3.3Å; D394-L397 PolarHBondContact O-N 3.15Å; D394-D398 PolarHBondContact O-N 3.27Å; D394-D398 VanDerWaalsContact O-N 3.1Å
395E86.7Confident88Confident136 Ų13672.7 Ų72.764%0.63639%0.385SS*.Hα-helixtrans-59.7-43.3174.8-68.4-179.4176.500112.4E391 R392 V399E391-E395 PolarHBondContact O-N 2.96Å; E391-E395 VanDerWaalsContact O-N 3.17Å; R392-E395 PolarHBondContact O-N 3.43Å; E395-V399 WeakPolarHBondContact O-CG2 3.47Å; E395-V399 PolarHBondContact O-N 2.87Å
396V87.1Confident88Confident17 Ų1773.1 Ų73.110%0.10338%0.381CS..Hα-helixtrans-68.1-36.6178.1176.20000111.5F147 M151 R392 Q393 D394 V399 L400F147-V396 HydrophobicContact CB-CG1 3.84Å; M151-V396 HydrophobicContact SD-CG1 4.43Å; R392-V396 WeakPolarHBondContact O-CG2 3.45Å; R392-V396 PolarHBondContact O-N 3.33Å; R392-V396 VanDerWaalsContact O-N 3.15Å; Q393-V396 PolarHBondContact O-N 3.38Å; D394-V396 PolarHBondContact O-N 3.5Å; V396-V399 PolarHBondContact O-N 3.22Å; V396-L400 HydrophobicContact CG1-CD1 3.97Å; V396-L400 HydrophobicContact CG1-CG 4.25Å; V396-L400 WeakPolarHBondContact O-CB 3.48Å; V396-L400 WeakPolarHBondContact O-CG 3.48Å; V396-L400 PolarHBondContact O-N 3.39Å
397L89.8Confident87.8Confident71 Ų7172.7 Ų72.737%0.37238%0.378SS..Hα-helixtrans-63.2-40.8177.3-107.5162.7000112.6F147 Q393 D394 V399 L400 T401F147-L397 HydrophobicContact CE1-CD1 4.16Å; F147-L397 HydrophobicContact CE1-CD2 4.19Å; F147-L397 HydrophobicContact CE1-CG 3.88Å; F147-L397 HydrophobicContact CE2-CD1 4.42Å; F147-L397 HydrophobicContact CZ-CD1 3.77Å; F147-L397 HydrophobicContact CZ-CG 4Å; Q393-L397 WeakPolarHBondContact O-CB 3.48Å; Q393-L397 PolarHBondContact O-N 3.01Å; D394-L397 WeakPolarHBondContact O-CB 3.3Å; D394-L397 PolarHBondContact O-N 3.15Å; L397-V399 VanDerWaalsContact C-N 3.35Å; L397-L400 PolarHBondContact O-N 3.08Å; L397-T401 WeakPolarHBondContact O-CB 3.49Å; L397-T401 PolarHBondContact O-N 3.27Å; L397-T401 PolarHBondContact O-OG1 3.24Å
398D85.7Confident87.9Confident110 Ų11071.7 Ų71.759%0.58838%0.379SS*.Hα-helixtrans-62-43.7175.3-85.8-11.5000111.4D394 T401 S402D394-D398 PolarHBondContact O-N 3.27Å; D394-D398 VanDerWaalsContact O-N 3.1Å; D398-T401 PolarHBondContact O-N 2.96Å; D398-S402 PolarHBondContact O-N 2.91Å; D398-S402 VanDerWaalsContact O-N 3.1Å
399V86.4Confident88Confident77 Ų7773.9 Ų73.947%0.46739%0.385SS..Hα-helixtrans-64.2-47176176.70000110.9E395 V396 L397 T401 S402 S403E395-V399 WeakPolarHBondContact O-CG2 3.47Å; E395-V399 PolarHBondContact O-N 2.87Å; V396-V399 PolarHBondContact O-N 3.22Å; L397-V399 VanDerWaalsContact C-N 3.35Å; V399-T401 VanDerWaalsContact C-N 3.32Å; V399-T401 PolarHBondContact O-N 3.45Å; V399-S402 PolarHBondContact O-N 2.93Å; V399-S402 PolarHBondContact O-OG 3.45Å; V399-S403 WeakPolarHBondContact O-CB 3.38Å; V399-S403 PolarHBondContact O-N 3.36Å
400L88.1Confident87.9Confident16 Ų1674.5 Ų74.58%0.08439%0.388CS..Hα-helixtrans-58.4-42.2177.2-82172.5000112.3F147 M150 M151 L154 V396 L397 S403 T404F147-L400 HydrophobicContact CB-CD1 4.27Å; F147-L400 HydrophobicContact CD1-CD1 3.69Å; F147-L400 HydrophobicContact CG-CD1 4.4Å; M150-L400 HydrophobicContact CB-CD1 4.42Å; M150-L400 HydrophobicContact CB-CD2 4.23Å; M151-L400 HydrophobicContact CB-CD2 3.94Å; L154-L400 HydrophobicContact CD2-CD2 3.91Å; V396-L400 HydrophobicContact CG1-CD1 3.97Å; V396-L400 HydrophobicContact CG1-CG 4.25Å; V396-L400 WeakPolarHBondContact O-CB 3.48Å; V396-L400 WeakPolarHBondContact O-CG 3.48Å; V396-L400 PolarHBondContact O-N 3.39Å; L397-L400 PolarHBondContact O-N 3.08Å; L400-S403 PolarHBondContact O-N 2.86Å; L400-T404 VanDerWaalsContact O-CB 3.26Å; L400-T404 WeakPolarHBondContact O-CB 3.48Å; L400-T404 PolarHBondContact O-N 3.15Å; L400-T404 PolarHBondContact O-OG1 3.4Å
401T88.8Confident87.8Confident74 Ų7474 Ų7445%0.45439%0.385SS..Hα-helixtrans-62.6-50.7178.7-58.60000110.5L397 D398 V399 S403 T404 D405L397-T401 WeakPolarHBondContact O-CB 3.49Å; L397-T401 PolarHBondContact O-N 3.27Å; L397-T401 PolarHBondContact O-OG1 3.24Å; D398-T401 PolarHBondContact O-N 2.96Å; V399-T401 VanDerWaalsContact C-N 3.32Å; V399-T401 PolarHBondContact O-N 3.45Å; T401-S403 VanDerWaalsContact C-N 3.3Å; T401-S403 PolarHBondContact O-N 3.44Å; T401-T404 PolarHBondContact O-N 3.04Å; T401-D405 PolarHBondContact O-N 3.24Å
402S86.9Confident87.7Confident60 Ų6070.1 Ų70.142%0.4238%0.376SS..Hα-helixtrans-63.2-35.4179.575.40000113.3D398 V399 R406D398-S402 PolarHBondContact O-N 2.91Å; D398-S402 VanDerWaalsContact O-N 3.1Å; V399-S402 PolarHBondContact O-N 2.93Å; V399-S402 PolarHBondContact O-OG 3.45Å; S402-R406 WeakPolarHBondContact O-CB 3.37Å; S402-R406 PolarHBondContact O-N 3.35Å
403S86.4Confident87.5Confident25 Ų2571.5 Ų71.518%0.17538%0.384CS..Hα-helixtrans-75.1-35.1178.3-173.90000111.6L154 V399 L400 T401 R406 A407L154-S403 VanDerWaalsContact CD2-CB 3.41Å; L154-S403 VanDerWaalsContact CD2-OG 3.29Å; L154-S403 WeakPolarHBondContact CD2-OG 3.42Å; L154-S403 WeakPolarHBondContact CG-OG 3.34Å; V399-S403 WeakPolarHBondContact O-CB 3.38Å; V399-S403 PolarHBondContact O-N 3.36Å; L400-S403 PolarHBondContact O-N 2.86Å; T401-S403 VanDerWaalsContact C-N 3.3Å; T401-S403 PolarHBondContact O-N 3.44Å; S403-R406 WeakPolarHBondContact O-CB 3.42Å; S403-R406 PolarHBondContact O-N 2.93Å; S403-A407 WeakPolarHBondContact O-CB 3.35Å; S403-A407 PolarHBondContact O-N 3.49Å
404T91.1Very high87.4Confident64 Ų6471.7 Ų71.739%0.39339%0.385SS..Hα-helixtrans-68.4-42.6176.7-61.40000111.3L154 L400 T401 R406 A407 T408L154-T404 WeakPolarHBondContact CD2-OG1 3.35Å; L400-T404 VanDerWaalsContact O-CB 3.26Å; L400-T404 WeakPolarHBondContact O-CB 3.48Å; L400-T404 PolarHBondContact O-N 3.15Å; L400-T404 PolarHBondContact O-OG1 3.4Å; T401-T404 PolarHBondContact O-N 3.04Å; T404-R406 VanDerWaalsContact C-N 3.3Å; T404-R406 PolarHBondContact O-N 3.29Å; T404-A407 PolarHBondContact O-N 2.88Å; T404-T408 WeakPolarHBondContact O-CB 3.48Å; T404-T408 PolarHBondContact O-N 2.79Å; T404-T408 PolarHBondContact O-OG1 3.22Å
405D88.6Confident87.3Confident107 Ų10769.4 Ų69.457%0.57238%0.375SS*.Hα-helixtrans-60.3-42.6174.6-77.2-18.7000111.1T401 T408 M409T401-D405 PolarHBondContact O-N 3.24Å; D405-T408 PolarHBondContact O-N 2.83Å; D405-M409 WeakPolarHBondContact O-CB 3.33Å; D405-M409 PolarHBondContact O-N 3.32Å
406R86.8Confident87.2Confident132 Ų13266.7 Ų66.750%0.49837%0.37SS..Hα-helixtrans-61-52.9175.5-172.4-176.5-51.4-171.56111.4S402 S403 T404 T408 M409 H410S402-R406 WeakPolarHBondContact O-CB 3.37Å; S402-R406 PolarHBondContact O-N 3.35Å; S403-R406 WeakPolarHBondContact O-CB 3.42Å; S403-R406 PolarHBondContact O-N 2.93Å; T404-R406 VanDerWaalsContact C-N 3.3Å; T404-R406 PolarHBondContact O-N 3.29Å; R406-T408 VanDerWaalsContact C-N 3.27Å; R406-T408 PolarHBondContact O-N 3.27Å; R406-M409 WeakPolarHBondContact O-CB 3.49Å; R406-M409 PolarHBondContact O-N 2.89Å; R406-M409 VanDerWaalsContact O-N 3.15Å; R406-H410 PolarHBondContact O-CD2 3.26Å; R406-H410 VanDerWaalsContact O-CD2 3.27Å; R406-H410 PolarHBondContact O-N 3.45Å
407A87Confident86.9Confident4 Ų467.2 Ų67.23%0.03337%0.37CS..Hα-helixtrans-57.3-41.9178.700000111.6L154 I157 L161 S403 T404 H410 I411L154-A407 HydrophobicContact CD1-CB 4.02Å; I157-A407 HydrophobicContact CG2-CB 4.44Å; L161-A407 HydrophobicContact CD1-CB 4.08Å; S403-A407 WeakPolarHBondContact O-CB 3.35Å; S403-A407 PolarHBondContact O-N 3.49Å; T404-A407 PolarHBondContact O-N 2.88Å; A407-H410 PolarHBondContact O-N 2.66Å; A407-I411 VanDerWaalsContact O-CG1 3.3Å; A407-I411 WeakPolarHBondContact O-CG1 3.3Å; A407-I411 PolarHBondContact O-N 3.03Å
408T89.1Confident86.4Confident88 Ų8868.6 Ų68.654%0.5438%0.376SS..Hα-helixtrans-62.8-43.8177.2-57.50000111.9T404 D405 R406 H410 I411 G412T404-T408 WeakPolarHBondContact O-CB 3.48Å; T404-T408 PolarHBondContact O-N 2.79Å; T404-T408 PolarHBondContact O-OG1 3.22Å; D405-T408 PolarHBondContact O-N 2.83Å; R406-T408 VanDerWaalsContact C-N 3.27Å; R406-T408 PolarHBondContact O-N 3.27Å; T408-H410 PolarHBondContact O-N 3.47Å; T408-I411 PolarHBondContact O-N 2.65Å; T408-G412 PolarHBondContact O-N 3.41Å
409M88.6Confident86Confident131 Ų13170.3 Ų70.365%0.64538%0.378SS*.Hα-helixtrans-62-42.6175.3-173.5-17763.500111.7D405 R406 G412 K413D405-M409 WeakPolarHBondContact O-CB 3.33Å; D405-M409 PolarHBondContact O-N 3.32Å; R406-M409 WeakPolarHBondContact O-CB 3.49Å; R406-M409 PolarHBondContact O-N 2.89Å; R406-M409 VanDerWaalsContact O-N 3.15Å; M409-G412 PolarHBondContact O-N 3.26Å; M409-K413 PolarHBondContact O-N 3.33Å
410H86.3Confident85.4Confident55 Ų5576.6 Ų76.626%0.25539%0.394SS..Hα-helixtrans-62.8-44.9176-86.4-91.9000112.2L161 R406 A407 T408 G412 K413 H414L161-H410 HydrophobicContact CD1-CB 4.06Å; R406-H410 PolarHBondContact O-CD2 3.26Å; R406-H410 VanDerWaalsContact O-CD2 3.27Å; R406-H410 PolarHBondContact O-N 3.45Å; A407-H410 PolarHBondContact O-N 2.66Å; T408-H410 PolarHBondContact O-N 3.47Å; H410-G412 VanDerWaalsContact C-N 3.33Å; H410-G412 PolarHBondContact O-N 3.45Å; H410-K413 WeakPolarHBondContact O-CB 3.36Å; H410-K413 PolarHBondContact O-N 2.99Å; H410-H414 PolarHBondContact O-CD2 3.38Å; H410-H414 VanDerWaalsContact O-CG 3.29Å; H410-H414 PolarHBondContact O-N 2.95Å
411I87.6Confident84.4Confident79 Ų7979.7 Ų79.741%0.40541%0.41SS..Hα-helixtrans-59.1-44.9174.7-69.9163.8000110.9L161 A407 T408 K413 H414 T415L161-I411 HydrophobicContact CD1-CD1 4.23Å; L161-I411 HydrophobicContact CD1-CG1 3.81Å; L161-I411 HydrophobicContact CD2-CG1 3.56Å; L161-I411 HydrophobicContact CG-CG1 4.33Å; A407-I411 VanDerWaalsContact O-CG1 3.3Å; A407-I411 WeakPolarHBondContact O-CG1 3.3Å; A407-I411 PolarHBondContact O-N 3.03Å; T408-I411 PolarHBondContact O-N 2.65Å; I411-K413 PolarHBondContact O-N 3.39Å; I411-H414 PolarHBondContact O-N 3.1Å; I411-T415 WeakPolarHBondContact O-CB 3.41Å; I411-T415 PolarHBondContact O-N 3.23Å; I411-T415 PolarHBondContact O-OG1 2.94Å
412G85.3Confident82.8Confident35 Ų3585 Ų8536%0.36143%0.434SS..Hα-helixtrans-59.1-46175.900000112.2T408 M409 H410 T415 C416T408-G412 PolarHBondContact O-N 3.41Å; M409-G412 PolarHBondContact O-N 3.26Å; H410-G412 VanDerWaalsContact C-N 3.33Å; H410-G412 PolarHBondContact O-N 3.45Å; G412-T415 PolarHBondContact O-N 2.96Å; G412-C416 PolarHBondContact O-N 3.01Å; G412-C416 PolarHBondContact O-SG 3.45Å; G412-C416 VanDerWaalsContact O-SG 3.41Å
413K86.6Confident82.6Confident105 Ų10586.3 Ų86.346%0.45744%0.435SS..Hα-helixtrans-59.9-48.9175.6-174.4-171.4175.8-158.90111.6D165 M409 H410 I411 T415 C416 R417D165-K413 IonicContact OD1-NZ 3.81Å; M409-K413 PolarHBondContact O-N 3.33Å; H410-K413 WeakPolarHBondContact O-CB 3.36Å; H410-K413 PolarHBondContact O-N 2.99Å; I411-K413 PolarHBondContact O-N 3.39Å; K413-T415 VanDerWaalsContact C-N 3.33Å; K413-T415 PolarHBondContact O-N 3.11Å; K413-C416 PolarHBondContact O-N 3.24Å; K413-R417 WeakPolarHBondContact O-CG 3.5Å; K413-R417 PolarHBondContact O-N 3.09Å
414H86.2Confident82.4Confident15 Ų1589.5 Ų89.57%0.06945%0.449CS..Hα-helixtrans-62.4-40.3178.9-66.1172.1000111.8L161 D165 L168 H410 I411 C416 R417 M418L161-H414 PolarHBondContact O-CE1 3.48Å; D165-H414 WeakPolarHBondContact CB-NE2 3.48Å; D165-H414 IonicContact OD1-CD2 2.8Å; D165-H414 IonicContact OD1-NE2 3.32Å; D165-H414 PolarHBondContact OD1-NE2 2.94Å; L168-H414 HydrophobicContact CD1-CB 3.71Å; H410-H414 PolarHBondContact O-CD2 3.38Å; H410-H414 VanDerWaalsContact O-CG 3.29Å; H410-H414 PolarHBondContact O-N 2.95Å; I411-H414 PolarHBondContact O-N 3.1Å; H414-C416 PolarHBondContact O-N 3.32Å; H414-R417 PolarHBondContact O-N 2.8Å; H414-M418 WeakPolarHBondContact O-CB 3.48Å; H414-M418 PolarHBondContact O-N 2.7Å
415T85Confident81.9Confident57 Ų5790.9 Ų90.935%0.3545%0.452SS..Hα-helixtrans-62-43.8177-58.30000111.3I411 G412 K413 K419I411-T415 WeakPolarHBondContact O-CB 3.41Å; I411-T415 PolarHBondContact O-N 3.23Å; I411-T415 PolarHBondContact O-OG1 2.94Å; G412-T415 PolarHBondContact O-N 2.96Å; K413-T415 VanDerWaalsContact C-N 3.33Å; K413-T415 PolarHBondContact O-N 3.11Å; T415-K419 WeakPolarHBondContact O-CB 3.4Å; T415-K419 WeakPolarHBondContact O-CG 3.29Å; T415-K419 PolarHBondContact O-N 2.95Å
416C83.6Confident81.5Confident79 Ų7989.9 Ų89.953%0.53445%0.445SS..Hα-helixtrans-66-40.4175.7-71.50000112.5G412 K413 H414 K419 R420G412-C416 PolarHBondContact O-N 3.01Å; G412-C416 PolarHBondContact O-SG 3.45Å; G412-C416 VanDerWaalsContact O-SG 3.41Å; K413-C416 PolarHBondContact O-N 3.24Å; H414-C416 PolarHBondContact O-N 3.32Å; C416-K419 PolarHBondContact O-N 3.05Å; C416-R420 WeakPolarHBondContact O-CG 3.4Å; C416-R420 PolarHBondContact O-N 3.34Å
417R82.1Confident81.2Confident28 Ų2887.3 Ų87.311%0.10644%0.441CS..Hα-helixtrans-61.9-47.9174.6-73.7179.475.6179.24.9111.5D165 L168 S169 E172 K413 H414 K419 R420 L421D165-R417 IonicContact OD1-CZ 3.4Å; D165-R417 IonicContact OD1-NH1 3.56Å; D165-R417 PolarHBondContact OD1-NH1 3Å; D165-R417 IonicContact OD2-NH1 3.95Å; L168-R417 HydrophobicContact CD1-CB 4.37Å; S169-R417 PolarHBondContact OG-NH1 2.98Å; S169-R417 PolarHBondContact OG-NH2 3.18Å; E172-R417 WeakPolarHBondContact OE1-CB 3.34Å; E172-R417 WeakPolarHBondContact OE1-CG 3.39Å; E172-R417 IonicContact OE1-CZ 3.96Å; E172-R417 IonicContact OE1-NE 3.05Å; E172-R417 PolarHBondContact OE1-NE 2.88Å; E172-R417 IonicContact OE1-NH2 3.48Å; E172-R417 PolarHBondContact OE1-NH2 3.23Å; E172-R417 IonicContact OE2-CZ 3.16Å; E172-R417 IonicContact OE2-NE 3.94Å; E172-R417 PolarHBondContact OE2-NE 3.42Å; E172-R417 IonicContact OE2-NH2 2.7Å; E172-R417 PolarHBondContact OE2-NH2 2.86Å; K413-R417 WeakPolarHBondContact O-CG 3.5Å; K413-R417 PolarHBondContact O-N 3.09Å; H414-R417 PolarHBondContact O-N 2.8Å; R417-K419 VanDerWaalsContact C-N 3.34Å; R417-K419 PolarHBondContact O-N 3.26Å; R417-R420 WeakPolarHBondContact O-CB 3.25Å; R417-R420 PolarHBondContact O-N 2.86Å; R417-L421 PolarHBondContact O-N 3.18Å
418M79.1Confident80.8Confident100 Ų10092.9 Ų92.949%0.49347%0.469SS..Hα-helixtrans-60.6-41.2177.5-171.2170.768.300112.2L168 H414 R420 L421 L422L168-M418 HydrophobicContact CD2-CB 4.48Å; H414-M418 WeakPolarHBondContact O-CB 3.48Å; H414-M418 PolarHBondContact O-N 2.7Å; M418-R420 PolarHBondContact O-N 3.48Å; M418-L421 PolarHBondContact O-N 3.05Å; M418-L421 VanDerWaalsContact O-N 3.09Å; M418-L422 PolarHBondContact O-N 3.32Å; M418-L422 VanDerWaalsContact O-N 3.1Å
419K76.5Confident80.2Confident146 Ų14693.2 Ų93.264%0.63546%0.464SS*.Hα-helixtrans-63.1-20.1173.2-77.8180179.9179.50114.6T415 C416 R417T415-K419 WeakPolarHBondContact O-CB 3.4Å; T415-K419 WeakPolarHBondContact O-CG 3.29Å; T415-K419 PolarHBondContact O-N 2.95Å; C416-K419 PolarHBondContact O-N 3.05Å; R417-K419 VanDerWaalsContact C-N 3.34Å; R417-K419 PolarHBondContact O-N 3.26Å
420R74.1Confident79.6Confident209 Ų20990.3 Ų90.379%0.78945%0.45SS*.Hα-helixtrans-88-19.1175-70.6172.961.6-175.4-3112.7C416 R417 M418C416-R420 WeakPolarHBondContact O-CG 3.4Å; C416-R420 PolarHBondContact O-N 3.34Å; R417-R420 WeakPolarHBondContact O-CB 3.25Å; R417-R420 PolarHBondContact O-N 2.86Å; M418-R420 PolarHBondContact O-N 3.48Å
421L65.9Low79Confident80 Ų8093.3 Ų93.342%0.41947%0.466SS..Hα-helixtrans-88.9-25176.6-71.3174.9000112.7L168 L171 E172 R417 M418L168-L421 HydrophobicContact CD2-CD1 3.97Å; L171-L421 HydrophobicContact CB-CD1 4.15Å; E172-L421 HydrophobicContact CG-CD1 4.03Å; E172-L421 HydrophobicContact CG-CD2 3.7Å; E172-L421 HydrophobicContact CG-CG 4.08Å; R417-L421 PolarHBondContact O-N 3.18Å; M418-L421 PolarHBondContact O-N 3.05Å; M418-L421 VanDerWaalsContact O-N 3.09Å
422L56.8Low78.3Confident186 Ų18694.5 Ų94.597%0.97447%0.471SS*.  trans-82.40166.9-65.6171.7000110.3M418M418-L422 PolarHBondContact O-N 3.32Å; M418-L422 VanDerWaalsContact O-N 3.1Å

Retrieved 422 of 422 residues in 73 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).