A0A087X1S5_HUMAN Loading...

Fibroblast growth factor

AlphaFold DB (A0A2J8PD48), UniProt , Accession A0A087X1S5, Species HUMAN (Homo sapiens, Human), Gene FGF8, Length 140 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
1M61Low89.1Confident204 Ų20493.4 Ų93.4100%1.00552%0.52SS*.  0141.10-146140.511200104.9E3M1-E3 PolarHBondContact O-N 2.95Å
2A74.3Confident89.9Confident74 Ų7491.6 Ų91.661%0.61251%0.508SS*.PPolyproline II helixtrans-69133.7178.700000108.7D6A2-D6 HydrophobicContact CB-CB 4.48Å
3E89.4Confident90.5Very high134 Ų13490.8 Ų90.863%0.62651%0.506SS*.PPolyproline II helixtrans-82.9158.1177.4-66-59141.400109.8M1 G5 D6M1-E3 PolarHBondContact O-N 2.95Å; E3-G5 PolarHBondContact O-N 3.4Å; E3-D6 VanDerWaalsContact O-CB 3.24Å; E3-D6 WeakPolarHBondContact O-CB 3.44Å; E3-D6 PolarHBondContact O-N 3.32Å; E3-D6 VanDerWaalsContact O-N 3.15Å
4D91.3Very high91Very high48 Ų4889.3 Ų89.326%0.25749%0.494SS..THydrogen-bonded Turntrans-62.8140173.9171.444000110.3D6 R102 R105D4-D6 VanDerWaalsContact C-N 3.28Å; D4-D6 PolarHBondContact O-N 3.03Å; D4-R102 VanDerWaalsContact CG-NH1 3.26Å; D4-R102 VanDerWaalsContact CG-NH2 3.31Å; D4-R102 IonicContact OD1-CZ 3.49Å; D4-R102 IonicContact OD1-NH1 2.78Å; D4-R102 PolarHBondContact OD1-NH1 2.94Å; D4-R102 IonicContact OD1-NH2 3.54Å; D4-R102 IonicContact OD2-CZ 2.63Å; D4-R102 IonicContact OD2-NH1 3.09Å; D4-R102 IonicContact OD2-NH2 2.8Å; D4-R102 PolarHBondContact OD2-NH2 2.86Å; D4-R105 VanDerWaalsContact C-CZ 3.48Å; D4-R105 VanDerWaalsContact C-NE 3.28Å; D4-R105 VanDerWaalsContact O-CD 3.24Å; D4-R105 WeakPolarHBondContact O-CD 3.47Å; D4-R105 PolarHBondContact O-NE 3.32Å; D4-R105 PolarHBondContact O-NH1 2.78Å; D4-R105 IonicContact OD1-NE 3.52Å; D4-R105 WeakPolarHBondContact OD2-CG 3.23Å; D4-R105 IonicContact OD2-CZ 2.75Å; D4-R105 IonicContact OD2-NE 3.8Å; D4-R105 PolarHBondContact OD2-NE 3.49Å; D4-R105 IonicContact OD2-NH2 2.64Å; D4-R105 PolarHBondContact OD2-NH2 2.8Å
5G90.2Very high91.5Very high41 Ų4190.5 Ų90.542%0.42351%0.505SS..THydrogen-bonded Turntrans73.27.4-171.600000116.5E3E3-G5 PolarHBondContact O-N 3.4Å
6D94.8Very high91.9Very high51 Ų5188.7 Ų88.727%0.27349%0.494SS..  trans-52.7129.7166.3-175-43.3000109.8A2 E3 D4 F8 A9A2-D6 HydrophobicContact CB-CB 4.48Å; E3-D6 VanDerWaalsContact O-CB 3.24Å; E3-D6 WeakPolarHBondContact O-CB 3.44Å; E3-D6 PolarHBondContact O-N 3.32Å; E3-D6 VanDerWaalsContact O-N 3.15Å; D4-D6 VanDerWaalsContact C-N 3.28Å; D4-D6 PolarHBondContact O-N 3.03Å; D6-F8 PolarHBondContact O-N 3.21Å; D6-F8 VanDerWaalsContact O-N 3.15Å; D6-F8 WeakPolarHBondContact OD1-CB 3.47Å; D6-F8 PolarHBondContact OD1-N 3.25Å; D6-A9 HydrophobicContact CB-CB 4.06Å; D6-A9 WeakPolarHBondContact O-CB 3.4Å; D6-A9 PolarHBondContact O-N 2.78Å
7P94.1Very high92.1Very high75 Ų7587.4 Ų87.449%0.48749%0.488SS..G310 helixtrans-52.2-37.3179.8-27.534.9000113.4A9 K10 E28P7-A9 VanDerWaalsContact C-N 3.28Å; P7-A9 PolarHBondContact O-N 3.42Å; P7-K10 WeakPolarHBondContact O-CB 3.45Å; P7-K10 PolarHBondContact O-N 2.94Å; P7-E28 HydrophobicContact CB-CG 4.43Å
8F95.6Very high92.4Very high137 Ų13792.9 Ų92.960%0.60151%0.507SS*.G310 helixtrans-77.1-12.8-180-64.9-75.1000113.6D6 E28 T29D6-F8 PolarHBondContact O-N 3.21Å; D6-F8 VanDerWaalsContact O-N 3.15Å; D6-F8 WeakPolarHBondContact OD1-CB 3.47Å; D6-F8 PolarHBondContact OD1-N 3.25Å; F8-E28 HydrophobicContact CD1-CB 3.89Å; F8-E28 HydrophobicContact CD1-CG 3.69Å; F8-E28 HydrophobicContact CE1-CB 4.11Å; F8-E28 HydrophobicContact CE1-CG 3.43Å; F8-E28 VanDerWaalsContact CE1-CG 3.43Å; F8-E28 HydrophobicContact CG-CG 4.39Å; F8-E28 HydrophobicContact CZ-CG 3.93Å; F8-T29 HydrophobicContact CD1-CG2 3.74Å; F8-T29 HydrophobicContact CE1-CG2 3.78Å
9A95.6Very high92.6Very high56 Ų5691.1 Ų91.146%0.46351%0.512SS..G310 helixtrans-86.5-8.3173.500000112.8D6 P7 L11D6-A9 HydrophobicContact CB-CB 4.06Å; D6-A9 WeakPolarHBondContact O-CB 3.4Å; D6-A9 PolarHBondContact O-N 2.78Å; P7-A9 VanDerWaalsContact C-N 3.28Å; P7-A9 PolarHBondContact O-N 3.42Å; A9-L11 PolarHBondContact O-N 2.84Å
10K96.1Very high92.8Very high120 Ų12090 Ų9052%0.52251%0.51SS..  trans-73.8120.3175.1-170.6178.5-179.3179.20110.3P7 A27P7-K10 WeakPolarHBondContact O-CB 3.45Å; P7-K10 PolarHBondContact O-N 2.94Å; K10-A27 HydrophobicContact CB-CB 4.04Å; K10-A27 HydrophobicContact CD-CB 3.95Å; K10-A27 HydrophobicContact CG-CB 3.8Å; K10-A27 WeakPolarHBondContact O-CB 3.07Å; K10-A27 PolarHBondContact O-N 2.89Å
11L97.9Very high93.1Very high87 Ų8789 Ų8946%0.45550%0.499SS..EExtended strand (participates in β ladder)trans-111.7142.3-179.5-57.8177.7000111A9 V24 R25 I33A9-L11 PolarHBondContact O-N 2.84Å; L11-V24 HydrophobicContact CB-CG1 4.36Å; L11-V24 HydrophobicContact CD1-CG1 3.87Å; L11-V24 HydrophobicContact CD2-CG1 4.23Å; L11-V24 HydrophobicContact CG-CG1 4.38Å; L11-R25 CarbonylContact C-O 3.56Å; L11-R25 WeakPolarHBondContact CA-O 3.31Å; L11-I33 HydrophobicContact CD2-CD1 4.47Å
12I98.2Very high94.9Very high72 Ų7279.6 Ų79.637%0.36945%0.452SS..EExtended strand (participates in β ladder)trans-104.2123.3165.9-58.8171.9000106.3E14 R25 A27I12-E14 HydrophobicContact CG2-CG 4.08Å; I12-R25 HydrophobicContact CB-CB 4.48Å; I12-R25 PolarHBondContact N-O 2.91Å; I12-R25 PolarHBondContact O-N 3.04Å; I12-A27 HydrophobicContact CD1-CB 3.99Å; I12-A27 HydrophobicContact CG1-CB 3.93Å
13V98.1Very high96Very high81 Ų8178.2 Ų78.249%0.49143%0.431SS..EExtended strand (participates in β ladder)trans-112.1111.3-180-175.90000108.2V22 R23V13-V22 HydrophobicContact CG1-CB 3.65Å; V13-V22 HydrophobicContact CG1-CG1 3.83Å; V13-V22 HydrophobicContact CG1-CG2 3.98Å; V13-R23 WeakPolarHBondContact CA-O 3.42Å
14E97.9Very high96.5Very high70 Ų7072 Ų7233%0.32740%0.403SS..EExtended strand (participates in β ladder)trans-105.1127.9-177.1-66.9166.5-177.800109.2I12 D16 V22 R23 Y32I12-E14 HydrophobicContact CG2-CG 4.08Å; E14-D16 PolarHBondContact O-N 3.48Å; E14-V22 CarbonylContact O-C 3.55Å; E14-V22 VanDerWaalsContact O-CA 3.26Å; E14-V22 WeakPolarHBondContact O-CA 3.5Å; E14-R23 PolarHBondContact N-O 2.62Å; E14-R23 PolarHBondContact O-N 3.19Å; E14-Y32 PolarHBondContact OE2-OH 2.95Å
15T98.2Very high96.8Very high108 Ų10873.7 Ų73.766%0.66341%0.406SS*.EExtended strand (participates in β ladder)trans-68.4126.7174.4-55.80000110T17T15-T17 WeakPolarHBondContact CG2-O 3.37Å
16D97.5Very high97.2Very high61 Ų6172.1 Ų72.133%0.32639%0.389SS..EExtended strand (participates in β ladder)trans-81.1-48.5172.1177.256.7000110.8E14 R21 R23 V53E14-D16 PolarHBondContact O-N 3.48Å; D16-R21 HydrophobicContact CB-CB 4.21Å; D16-R21 PolarHBondContact N-O 2.92Å; D16-R23 IonicContact OD1-CZ 2.77Å; D16-R23 IonicContact OD1-NH1 3.51Å; D16-R23 PolarHBondContact OD1-NH1 2.98Å; D16-R23 IonicContact OD1-NH2 3.71Å; D16-R23 PolarHBondContact OD1-NH2 2.92Å; D16-V53 HydrophobicContact CB-CG1 4.1Å; D16-V53 HydrophobicContact CB-CG2 4.35Å
17T96.3Very high97.4Very high66 Ų6671.3 Ų71.341%0.40539%0.39SS..EExtended strand (participates in β ladder)trans-165.4-174.2179.3-1710000110.2T15 R21T15-T17 WeakPolarHBondContact CG2-O 3.37Å; T17-R21 HydrophobicContact CG2-CB 3.9Å; T17-R21 VanDerWaalsContact CG2-CD 3.41Å; T17-R21 HydrophobicContact CG2-CG 4.1Å
18F96.7Very high97.5Very high188 Ų18873.4 Ų73.483%0.82539%0.393SS*.THydrogen-bonded Turntrans-58.6167.9175.9-59.8-73.8000113.4
19G95.9Very high97.6Very high58 Ų5870.4 Ų70.460%0.59839%0.386SS*.THydrogen-bonded Turntrans71.534.1-177.400000112.3R21G19-R21 PolarHBondContact O-N 2.77Å
20S97.3Very high97.8Very high69 Ų6968.5 Ų68.548%0.48337%0.372SS..THydrogen-bonded Turntrans5536.2177.1-52.10000113.6T55 E56S20-T55 WeakPolarHBondContact O-CA 3.39Å; S20-E56 WeakPolarHBondContact CB-O 3.4Å; S20-E56 PolarHBondContact O-N 2.9Å
21R98.4Very high97.9Very high69 Ų6965.7 Ų65.726%0.2636%0.362SS..EExtended strand (participates in β ladder)trans-83123.9175.1-68.2-171.5124104.75.7109.8D16 T17 G19 V53 F54D16-R21 HydrophobicContact CB-CB 4.21Å; D16-R21 PolarHBondContact N-O 2.92Å; T17-R21 HydrophobicContact CG2-CB 3.9Å; T17-R21 VanDerWaalsContact CG2-CD 3.41Å; T17-R21 HydrophobicContact CG2-CG 4.1Å; G19-R21 PolarHBondContact O-N 2.77Å; R21-V53 HydrophobicContact CB-CG1 4Å; R21-F54 CarbonylContact C-O 3.6Å; R21-F54 WeakPolarHBondContact CA-O 3.37Å
22V98.7Very high97.9Very high6 Ų663.1 Ų63.14%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-134.2152.5-173.2-60.80000112.3V13 E14 V24 V53 F54 L66V13-V22 HydrophobicContact CG1-CB 3.65Å; V13-V22 HydrophobicContact CG1-CG1 3.83Å; V13-V22 HydrophobicContact CG1-CG2 3.98Å; E14-V22 CarbonylContact O-C 3.55Å; E14-V22 VanDerWaalsContact O-CA 3.26Å; E14-V22 WeakPolarHBondContact O-CA 3.5Å; V22-V24 HydrophobicContact CG2-CG2 4.43Å; V22-V53 CarbonylContact O-C 3.48Å; V22-V53 WeakPolarHBondContact O-CA 3.46Å; V22-F54 WeakPolarHBondContact CG2-O 3.32Å; V22-F54 PolarHBondContact N-O 2.83Å; V22-F54 PolarHBondContact O-N 2.87Å; V22-L66 HydrophobicContact CG2-CD2 4.41Å
23R98.8Very high98Very high45 Ų4561.7 Ų61.717%0.1734%0.339CS..EExtended strand (participates in β ladder)trans-104.1136.4162.7-68.4-172.9179.47410.9108.9V13 E14 D16 Y32 G47 V53V13-R23 WeakPolarHBondContact CA-O 3.42Å; E14-R23 PolarHBondContact N-O 2.62Å; E14-R23 PolarHBondContact O-N 3.19Å; D16-R23 IonicContact OD1-CZ 2.77Å; D16-R23 IonicContact OD1-NH1 3.51Å; D16-R23 PolarHBondContact OD1-NH1 2.98Å; D16-R23 IonicContact OD1-NH2 3.71Å; D16-R23 PolarHBondContact OD1-NH2 2.92Å; R23-Y32 HydrophobicContact CB-CD1 4.01Å; R23-Y32 HydrophobicContact CB-CE1 3.92Å; R23-G47 WeakPolarHBondContact CD-O 2.75Å; R23-G47 PolarHBondContact NE-O 2.63Å; R23-V53 HydrophobicContact CG-CG2 4.11Å
24V98.8Very high98Very high5 Ų557.8 Ų57.83%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-109.8119.1179.6-174.40000108.9L11 V22 Y32 I33L11-V24 HydrophobicContact CB-CG1 4.36Å; L11-V24 HydrophobicContact CD1-CG1 3.87Å; L11-V24 HydrophobicContact CD2-CG1 4.23Å; L11-V24 HydrophobicContact CG-CG1 4.38Å; V22-V24 HydrophobicContact CG2-CG2 4.43Å; V24-Y32 WeakPolarHBondContact O-CA 3.31Å; V24-I33 HydrophobicContact CG1-CD1 3.92Å; V24-I33 HydrophobicContact CG1-CG1 4.49Å; V24-I33 PolarHBondContact O-N 3.1Å
25R98.7Very high98Very high83 Ų8354.5 Ų54.531%0.31330%0.3SS..EExtended strand (participates in β ladder)trans-122.3135.6-177.4-169.1-177.3-175-163.4-7.9110.2L11 I12 A27 G30 L31 Y32L11-R25 CarbonylContact C-O 3.56Å; L11-R25 WeakPolarHBondContact CA-O 3.31Å; I12-R25 HydrophobicContact CB-CB 4.48Å; I12-R25 PolarHBondContact N-O 2.91Å; I12-R25 PolarHBondContact O-N 3.04Å; R25-A27 PolarHBondContact O-N 2.85Å; R25-G30 PolarHBondContact NE-O 2.03Å; R25-G30 PolarHBondContact NH2-O 2.77Å; R25-L31 CarbonylContact C-O 3.58Å; R25-L31 WeakPolarHBondContact CA-O 3.37Å; R25-Y32 HydrophobicContact CB-CD1 3.93Å; R25-Y32 HydrophobicContact CB-CE1 3.89Å; R25-Y32 HydrophobicContact CB-CG 4.5Å; R25-Y32 HydrophobicContact CG-CD1 4.26Å; R25-Y32 HydrophobicContact CG-CD2 4.45Å; R25-Y32 HydrophobicContact CG-CE1 4.15Å; R25-Y32 HydrophobicContact CG-CE2 4.35Å; R25-Y32 HydrophobicContact CG-CG 4.41Å
26G98.4Very high98.1Very high7 Ų751.2 Ų51.27%0.07228%0.279CS..EExtended strand (participates in β ladder)trans-70.1127169.600000110G30 L31G26-G30 VanDerWaalsContact O-CA 3.24Å; G26-G30 WeakPolarHBondContact O-CA 3.38Å; G26-G30 PolarHBondContact O-N 3.11Å; G26-L31 PolarHBondContact N-O 3.42Å
27A97.5Very high98.1Very high35 Ų3556.1 Ų56.129%0.28930%0.297SS..THydrogen-bonded Turntrans-63.3-44.4-179.500000111.3K10 I12 R25K10-A27 HydrophobicContact CB-CB 4.04Å; K10-A27 HydrophobicContact CD-CB 3.95Å; K10-A27 HydrophobicContact CG-CB 3.8Å; K10-A27 WeakPolarHBondContact O-CB 3.07Å; K10-A27 PolarHBondContact O-N 2.89Å; I12-A27 HydrophobicContact CD1-CB 3.99Å; I12-A27 HydrophobicContact CG1-CB 3.93Å; R25-A27 PolarHBondContact O-N 2.85Å
28E97.4Very high98.2Very high118 Ų11860.3 Ų60.355%0.55131%0.31SS*.THydrogen-bonded Turntrans-69.1-46.5-177.1-169.660-150.900112.5P7 F8P7-E28 HydrophobicContact CB-CG 4.43Å; F8-E28 HydrophobicContact CD1-CB 3.89Å; F8-E28 HydrophobicContact CD1-CG 3.69Å; F8-E28 HydrophobicContact CE1-CB 4.11Å; F8-E28 HydrophobicContact CE1-CG 3.43Å; F8-E28 VanDerWaalsContact CE1-CG 3.43Å; F8-E28 HydrophobicContact CG-CG 4.39Å; F8-E28 HydrophobicContact CZ-CG 3.93Å
29T98.1Very high98.2Very high74 Ų7451.3 Ų51.345%0.45427%0.27SS..THydrogen-bonded Turntrans-89.2-18.6-174.9590000113.4F8 L31F8-T29 HydrophobicContact CD1-CG2 3.74Å; F8-T29 HydrophobicContact CE1-CG2 3.78Å; T29-L31 PolarHBondContact O-N 3.34Å; T29-L31 VanDerWaalsContact O-N 3.15Å; T29-L31 PolarHBondContact OG1-N 2.97Å
30G98.3Very high98.4Very high16 Ų1654.6 Ų54.617%0.16527%0.268CS..  trans6411.1-169.600000114.3R25 G26R25-G30 PolarHBondContact NE-O 2.03Å; R25-G30 PolarHBondContact NH2-O 2.77Å; G26-G30 VanDerWaalsContact O-CA 3.24Å; G26-G30 WeakPolarHBondContact O-CA 3.38Å; G26-G30 PolarHBondContact O-N 3.11Å
31L98.8Very high98.4Very high62 Ų6252.3 Ų52.333%0.32525%0.25SS..PPolyproline II helixtrans-89.6139.8-179-61.1174.8000111.4R25 G26 T29 A43R25-L31 CarbonylContact C-O 3.58Å; R25-L31 WeakPolarHBondContact CA-O 3.37Å; G26-L31 PolarHBondContact N-O 3.42Å; T29-L31 PolarHBondContact O-N 3.34Å; T29-L31 VanDerWaalsContact O-N 3.15Å; T29-L31 PolarHBondContact OG1-N 2.97Å; L31-A43 HydrophobicContact CB-CB 4.11Å; L31-A43 HydrophobicContact CD1-CB 3.92Å
32Y98.8Very high98.4Very high32 Ų3251.6 Ų51.613%0.12525%0.251CS..EExtended strand (participates in β ladder)trans-82.6137.5172.7-68.6-88.2000111E14 R23 V24 R25 A43 K44E14-Y32 PolarHBondContact OE2-OH 2.95Å; R23-Y32 HydrophobicContact CB-CD1 4.01Å; R23-Y32 HydrophobicContact CB-CE1 3.92Å; V24-Y32 WeakPolarHBondContact O-CA 3.31Å; R25-Y32 HydrophobicContact CB-CD1 3.93Å; R25-Y32 HydrophobicContact CB-CE1 3.89Å; R25-Y32 HydrophobicContact CB-CG 4.5Å; R25-Y32 HydrophobicContact CG-CD1 4.26Å; R25-Y32 HydrophobicContact CG-CD2 4.45Å; R25-Y32 HydrophobicContact CG-CE1 4.15Å; R25-Y32 HydrophobicContact CG-CE2 4.35Å; R25-Y32 HydrophobicContact CG-CG 4.41Å; Y32-A43 CarbonylContact O-C 3.58Å; Y32-A43 VanDerWaalsContact O-CA 3.31Å; Y32-A43 WeakPolarHBondContact O-CA 3.47Å; Y32-K44 PolarHBondContact N-O 3.28Å; Y32-K44 PolarHBondContact O-N 2.91Å
33I98.8Very high98.4Very high42 Ų4254.5 Ų54.522%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-78.6124.1166.5-56.7178000107.3L11 V24 L41 F54 M76L11-I33 HydrophobicContact CD2-CD1 4.47Å; V24-I33 HydrophobicContact CG1-CD1 3.92Å; V24-I33 HydrophobicContact CG1-CG1 4.49Å; V24-I33 PolarHBondContact O-N 3.1Å; I33-L41 HydrophobicContact CG2-CD2 4.28Å; I33-F54 WeakPolarHBondContact O-CE2 3.36Å; I33-M76 HydrophobicContact CB-CE 4.38Å; I33-M76 HydrophobicContact CG2-CE 3.68Å
34C98.8Very high98.4Very high0 Ų055.3 Ų55.30%028%0.281CS..EExtended strand (participates in β ladder)trans-135.1166.9179.3-46.30000110.4L41 I42 K44 D51 C52C34-L41 CarbonylContact O-C 3.5Å; C34-L41 WeakPolarHBondContact O-CA 2.99Å; C34-I42 HydrophobicContact CB-CG1 4.16Å; C34-I42 PolarHBondContact N-O 2.85Å; C34-I42 PolarHBondContact O-N 3.43Å; C34-K44 HydrophobicContact CB-CD 3.94Å; C34-D51 CarbonylContact C-O 3.6Å; C34-D51 WeakPolarHBondContact CA-O 3.3Å; C34-C52 HydrophobicContact CB-CB 3.91Å; C34-C52 WeakPolarHBondContact CB-SG 3.39Å; C34-C52 WeakPolarHBondContact SG-CB 3.32Å; C34-C52 CovalentContact SG-SG 2.03Å; C34-C52 PolarHBondContact SG-SG 2.86Å
35M98.8Very high98.4Very high0 Ų059.8 Ų59.80%031%0.312CS..EExtended strand (participates in β ladder)trans-117.3132.2176.8-166.1171.9-69.900110.9L41 D51 F54 N68 Y71 W74 Y75M35-L41 HydrophobicContact CE-CD2 3.69Å; M35-D51 PolarHBondContact N-O 2.99Å; M35-D51 WeakPolarHBondContact O-CB 3.02Å; M35-F54 HydrophobicContact CE-CE1 4.28Å; M35-N68 HydrophobicContact CE-CB 4.41Å; M35-N68 HydrophobicContact SD-CB 4.15Å; M35-Y71 HydrophobicContact CB-CD2 4.37Å; M35-Y71 HydrophobicContact CG-CD2 4.35Å; M35-Y71 VanDerWaalsContact O-CE2 3.31Å; M35-Y71 WeakPolarHBondContact O-CE2 3.28Å; M35-W74 HydrophobicContact CG-CE3 4.49Å; M35-W74 HydrophobicContact SD-CB 3.77Å; M35-W74 HydrophobicContact SD-CD2 4.41Å; M35-W74 HydrophobicContact SD-CE3 3.71Å; M35-W74 HydrophobicContact SD-CG 4.5Å; M35-Y75 WeakPolarHBondContact CE-O 3.39Å
36N98.6Very high98.3Very high40 Ų4060.2 Ų60.221%0.21432%0.321CS..  trans-88.9173.317675.416.2000112.5K38 G39 K40 I42N36-K38 PolarHBondContact O-N 2.99Å; N36-K38 WeakPolarHBondContact OD1-CA 3.49Å; N36-K38 WeakPolarHBondContact OD1-CB 3.33Å; N36-K38 PolarHBondContact OD1-N 3.09Å; N36-G39 WeakPolarHBondContact O-CA 3.4Å; N36-G39 PolarHBondContact O-N 3.47Å; N36-G39 PolarHBondContact OD1-N 3.26Å; N36-K40 PolarHBondContact N-O 3.19Å; N36-K40 WeakPolarHBondContact OD1-CB 3.37Å; N36-K40 PolarHBondContact OD1-N 3.32Å; N36-I42 HydrophobicContact CB-CD1 4.04Å
37K98.3Very high98.2Very high164 Ų16460.1 Ų60.171%0.71332%0.32SS*.THydrogen-bonded Turntrans-60-15.1179.167.5179.6-179.11790115.5G39 Y71 W74K37-G39 VanDerWaalsContact C-N 3.34Å; K37-Y71 HydrophobicContact CB-CE1 4.41Å; K37-Y71 PolarHBondContact N-OH 3.03Å; K37-W74 WeakPolarHBondContact O-CH2 3.22Å
38K97.9Very high98.2Very high153 Ų15366.9 Ų66.967%0.66534%0.343SS*.THydrogen-bonded Turntrans-93.85.7175-59.6-175.9178.7-178.80112.1N36 K40N36-K38 PolarHBondContact O-N 2.99Å; N36-K38 WeakPolarHBondContact OD1-CA 3.49Å; N36-K38 WeakPolarHBondContact OD1-CB 3.33Å; N36-K38 PolarHBondContact OD1-N 3.09Å; K38-K40 VanDerWaalsContact C-N 3.26Å; K38-K40 PolarHBondContact O-N 3.15Å
39G98Very high98.3Very high0 Ų062.6 Ų62.60%033%0.33CS..SBendtrans72.413.6-175.300000113.8N36 K37 W74 K86 G87N36-G39 WeakPolarHBondContact O-CA 3.4Å; N36-G39 PolarHBondContact O-N 3.47Å; N36-G39 PolarHBondContact OD1-N 3.26Å; K37-G39 VanDerWaalsContact C-N 3.34Å; G39-W74 VanDerWaalsContact CA-CZ3 3.4Å; G39-W74 VanDerWaalsContact N-CZ3 3.29Å; G39-K86 CarbonylContact O-C 3.57Å; G39-K86 VanDerWaalsContact O-CA 3.32Å; G39-K86 WeakPolarHBondContact O-CA 3.47Å; G39-G87 PolarHBondContact O-N 2.91Å
40K98.6Very high98.3Very high126 Ų12664.3 Ų64.355%0.54833%0.331SS..  trans-84.2133178.4-172.8-173.8174.2-177.60109.3N36 K38 I42N36-K40 PolarHBondContact N-O 3.19Å; N36-K40 WeakPolarHBondContact OD1-CB 3.37Å; N36-K40 PolarHBondContact OD1-N 3.32Å; K38-K40 VanDerWaalsContact C-N 3.26Å; K38-K40 PolarHBondContact O-N 3.15Å; K40-I42 HydrophobicContact CG-CG2 4.48Å
41L98.6Very high98.3Very high21 Ų2164.6 Ų64.611%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-67.7130.5167.1-63.5176.4000109.9I33 C34 M35 F54 M76 F78 P84I33-L41 HydrophobicContact CG2-CD2 4.28Å; C34-L41 CarbonylContact O-C 3.5Å; C34-L41 WeakPolarHBondContact O-CA 2.99Å; M35-L41 HydrophobicContact CE-CD2 3.69Å; L41-F54 HydrophobicContact CD2-CZ 4.41Å; L41-M76 HydrophobicContact CD1-CG 3.75Å; L41-M76 HydrophobicContact CD2-CG 4.24Å; L41-F78 HydrophobicContact CD1-CE1 4.42Å; L41-F78 HydrophobicContact CD1-CE2 4.46Å; L41-F78 HydrophobicContact CD1-CZ 4.04Å; L41-P84 HydrophobicContact CD1-CB 4.48Å
42I98.6Very high98.3Very high54 Ų5461.7 Ų61.728%0.27731%0.313SS..EExtended strand (participates in β ladder)trans-134.2152-179.358.2167.6000109.4C34 N36 K40 K44C34-I42 HydrophobicContact CB-CG1 4.16Å; C34-I42 PolarHBondContact N-O 2.85Å; C34-I42 PolarHBondContact O-N 3.43Å; N36-I42 HydrophobicContact CB-CD1 4.04Å; K40-I42 HydrophobicContact CG-CG2 4.48Å; I42-K44 HydrophobicContact CD1-CD 3.77Å; I42-K44 HydrophobicContact CD1-CG 4.01Å; I42-K44 HydrophobicContact CG1-CD 4.4Å; I42-K44 HydrophobicContact CG1-CG 4.4Å
43A98.6Very high98.3Very high67 Ų6760.2 Ų60.255%0.55431%0.308SS*.EExtended strand (participates in β ladder)trans-96.4134.4171.900000109.5L31 Y32L31-A43 HydrophobicContact CB-CB 4.11Å; L31-A43 HydrophobicContact CD1-CB 3.92Å; Y32-A43 CarbonylContact O-C 3.58Å; Y32-A43 VanDerWaalsContact O-CA 3.31Å; Y32-A43 WeakPolarHBondContact O-CA 3.47Å
44K98.5Very high98.3Very high62 Ų6258.2 Ų58.227%0.2730%0.298SS..EExtended strand (participates in β ladder)trans-134.1141.3178.7-69.6173.265.9-162.20110.8Y32 C34 I42 D51Y32-K44 PolarHBondContact N-O 3.28Å; Y32-K44 PolarHBondContact O-N 2.91Å; C34-K44 HydrophobicContact CB-CD 3.94Å; I42-K44 HydrophobicContact CD1-CD 3.77Å; I42-K44 HydrophobicContact CD1-CG 4.01Å; I42-K44 HydrophobicContact CG1-CD 4.4Å; I42-K44 HydrophobicContact CG1-CG 4.4Å; K44-D51 IonicContact NZ-OD1 3.87Å; K44-D51 IonicContact NZ-OD2 2.65Å; K44-D51 PolarHBondContact NZ-OD2 3.18Å
45S98.1Very high98.3Very high100 Ų10059.6 Ų59.670%0.69931%0.306SS*.SBendtrans-69.5-41.5169.9530000111.6
46N97.4Very high98.3Very high92 Ų9261.5 Ų61.549%0.49232%0.315SS..  trans-90.3105175.8-176.93.1000111.8K48N46-K48 WeakPolarHBondContact OD1-CB 3.38Å; N46-K48 WeakPolarHBondContact OD1-CG 3.35Å; N46-K48 PolarHBondContact OD1-N 3.07Å; N46-K48 VanDerWaalsContact OD1-N 3.09Å
47G96.9Very high98.3Very high5 Ų561.6 Ų61.65%0.05232%0.315CS..  trans-91.15.8178.700000116.1R23 G49 C52R23-G47 WeakPolarHBondContact CD-O 2.75Å; R23-G47 PolarHBondContact NE-O 2.63Å; G47-G49 VanDerWaalsContact C-N 3.27Å; G47-G49 PolarHBondContact O-N 3.48Å; G47-C52 WeakPolarHBondContact O-CB 3.37Å
48K97.4Very high98.3Very high177 Ų17758.9 Ų58.977%0.7731%0.312SS*.  trans-64.3-28.7-173.3-69.6-177.8178.4-175.40114N46N46-K48 WeakPolarHBondContact OD1-CB 3.38Å; N46-K48 WeakPolarHBondContact OD1-CG 3.35Å; N46-K48 PolarHBondContact OD1-N 3.07Å; N46-K48 VanDerWaalsContact OD1-N 3.09Å
49G97.9Very high98.3Very high27 Ų2752.1 Ų52.128%0.27828%0.283SS..SBendtrans-69.4149-175.800000113.7G47 D51 C52G47-G49 VanDerWaalsContact C-N 3.27Å; G47-G49 PolarHBondContact O-N 3.48Å; G49-D51 VanDerWaalsContact CA-OD1 3.32Å; G49-D51 WeakPolarHBondContact CA-OD1 3.2Å; G49-D51 PolarHBondContact O-N 3.04Å; G49-D51 VanDerWaalsContact O-N 3.1Å; G49-C52 WeakPolarHBondContact O-CB 3.28Å; G49-C52 PolarHBondContact O-N 3.15Å
50K98.3Very high98.2Very high110 Ų11061.1 Ų61.148%0.47833%0.325SS..G310 helixtrans-59.8-20.4175.6-160.3-177.1-171.2-1580112.8C52 V53 A69 K70K50-C52 PolarHBondContact O-N 2.79Å; K50-V53 PolarHBondContact O-N 3.3Å; K50-A69 WeakPolarHBondContact CE-O 3.42Å; K50-A69 HydrophobicContact CG-CB 4Å; K50-A69 PolarHBondContact NZ-O 3.15Å; K50-K70 HydrophobicContact CB-CB 4.2Å; K50-K70 HydrophobicContact CD-CB 4.49Å; K50-K70 HydrophobicContact CG-CB 4.22Å
51D98.6Very high98.1Very high23 Ų2358.6 Ų58.612%0.12332%0.318CS..G310 helixtrans-64.5-17.8172.356.3-56.9000113.9C34 M35 K44 G49 N68 K70 Y71C34-D51 CarbonylContact C-O 3.6Å; C34-D51 WeakPolarHBondContact CA-O 3.3Å; M35-D51 PolarHBondContact N-O 2.99Å; M35-D51 WeakPolarHBondContact O-CB 3.02Å; K44-D51 IonicContact NZ-OD1 3.87Å; K44-D51 IonicContact NZ-OD2 2.65Å; K44-D51 PolarHBondContact NZ-OD2 3.18Å; G49-D51 VanDerWaalsContact CA-OD1 3.32Å; G49-D51 WeakPolarHBondContact CA-OD1 3.2Å; G49-D51 PolarHBondContact O-N 3.04Å; G49-D51 VanDerWaalsContact O-N 3.1Å; D51-N68 PolarHBondContact O-ND2 2.8Å; D51-K70 HydrophobicContact CB-CD 3.91Å; D51-Y71 HydrophobicContact CB-CE2 4.44Å
52C98.7Very high98.1Very high0 Ų063.8 Ų63.80%035%0.346CS..G310 helixtrans-100.81.7176.6-55.70000113.2C34 G47 G49 K50C34-C52 HydrophobicContact CB-CB 3.91Å; C34-C52 WeakPolarHBondContact CB-SG 3.39Å; C34-C52 WeakPolarHBondContact SG-CB 3.32Å; C34-C52 CovalentContact SG-SG 2.03Å; C34-C52 PolarHBondContact SG-SG 2.86Å; G47-C52 WeakPolarHBondContact O-CB 3.37Å; G49-C52 WeakPolarHBondContact O-CB 3.28Å; G49-C52 PolarHBondContact O-N 3.15Å; K50-C52 PolarHBondContact O-N 2.79Å
53V98.8Very high98.1Very high2 Ų266.2 Ų66.21%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-100135.2178.6-178.50000109.1D16 R21 V22 R23 K50 N68 A69D16-V53 HydrophobicContact CB-CG1 4.1Å; D16-V53 HydrophobicContact CB-CG2 4.35Å; R21-V53 HydrophobicContact CB-CG1 4Å; V22-V53 CarbonylContact O-C 3.48Å; V22-V53 WeakPolarHBondContact O-CA 3.46Å; R23-V53 HydrophobicContact CG-CG2 4.11Å; K50-V53 PolarHBondContact O-N 3.3Å; V53-N68 PolarHBondContact O-ND2 3Å; V53-A69 HydrophobicContact CB-CB 3.86Å; V53-A69 HydrophobicContact CG1-CB 3.79Å; V53-A69 WeakPolarHBondContact O-CB 3.38Å; V53-A69 PolarHBondContact O-N 2.88Å
54F98.8Very high98.1Very high0 Ų063.7 Ų63.70%033%0.33CS..EExtended strand (participates in β ladder)trans-125144175.6-64.3-96.2000110R21 V22 I33 M35 L41 L66 Q67 N68 M76R21-F54 CarbonylContact C-O 3.6Å; R21-F54 WeakPolarHBondContact CA-O 3.37Å; V22-F54 WeakPolarHBondContact CG2-O 3.32Å; V22-F54 PolarHBondContact N-O 2.83Å; V22-F54 PolarHBondContact O-N 2.87Å; I33-F54 WeakPolarHBondContact O-CE2 3.36Å; M35-F54 HydrophobicContact CE-CE1 4.28Å; L41-F54 HydrophobicContact CD2-CZ 4.41Å; F54-L66 HydrophobicContact CB-CB 4.21Å; F54-L66 HydrophobicContact CB-CD2 4.34Å; F54-L66 HydrophobicContact CD1-CB 4.17Å; F54-L66 HydrophobicContact CG-CB 4.43Å; F54-Q67 CarbonylContact C-O 3.5Å; F54-Q67 WeakPolarHBondContact CA-O 3.46Å; F54-N68 HydrophobicContact CD1-CB 4.14Å; F54-N68 HydrophobicContact CE1-CB 3.94Å; F54-M76 HydrophobicContact CD1-CE 4.41Å; F54-M76 HydrophobicContact CD2-CE 4.43Å; F54-M76 HydrophobicContact CE1-CB 4.32Å; F54-M76 HydrophobicContact CE1-CE 4.1Å; F54-M76 HydrophobicContact CE2-CE 4.14Å; F54-M76 HydrophobicContact CZ-CE 3.96Å
55T98.8Very high98.1Very high28 Ų2860.8 Ų60.817%0.17232%0.317CS..EExtended strand (participates in β ladder)trans-88.3121.1166.6-58.30000108.1S20 I57 L66 Q67S20-T55 WeakPolarHBondContact O-CA 3.39Å; T55-I57 HydrophobicContact CG2-CG1 3.99Å; T55-L66 WeakPolarHBondContact O-CA 3.4Å; T55-Q67 PolarHBondContact N-O 2.64Å; T55-Q67 PolarHBondContact O-N 2.75Å
56E98.4Very high98.1Very high41 Ų4157.1 Ų57.119%0.19229%0.29CS..EExtended strand (participates in β ladder)trans-78121.1170.2-170.2-170.8158.300109.7S20 T64 L66 K101S20-E56 WeakPolarHBondContact CB-O 3.4Å; S20-E56 PolarHBondContact O-N 2.9Å; E56-T64 HydrophobicContact CG-CG2 3.54Å; E56-L66 HydrophobicContact CB-CD2 4.08Å; E56-L66 HydrophobicContact CG-CD2 4.21Å; E56-K101 VanDerWaalsContact OE1-CE 3.29Å; E56-K101 WeakPolarHBondContact OE1-CE 3.47Å; E56-K101 IonicContact OE1-NZ 3.53Å; E56-K101 PolarHBondContact OE1-NZ 3.48Å; E56-K101 IonicContact OE2-NZ 3.38Å
57I98.4Very high98.2Very high41 Ų4154.7 Ų54.721%0.2128%0.275CS..EExtended strand (participates in β ladder)trans-119126.7-177.8-55.3171.1000107.9T55 L59 T64 A65 Q67 Y75T55-I57 HydrophobicContact CG2-CG1 3.99Å; I57-L59 HydrophobicContact CG2-CD2 4.02Å; I57-T64 CarbonylContact O-C 3.57Å; I57-T64 WeakPolarHBondContact O-CA 3.15Å; I57-A65 PolarHBondContact N-O 2.86Å; I57-A65 PolarHBondContact O-N 2.76Å; I57-Q67 HydrophobicContact CD1-CB 3.9Å; I57-Y75 HydrophobicContact CD1-CE1 4.4Å
58V98.3Very high98.3Very high108 Ų10854.5 Ų54.566%0.65527%0.273SS*.EExtended strand (participates in β ladder)trans-83.5115.4164.1-177.10000107.1
59L98Very high98.3Very high10 Ų1046.1 Ų46.15%0.05224%0.237CC..  trans-78.3160.9179.8-61.5-178.4000110.9I57 N61 N62 Y63 A65 Q92 H98I57-L59 HydrophobicContact CG2-CD2 4.02Å; L59-N61 WeakPolarHBondContact CB-OD1 3.35Å; L59-N61 PolarHBondContact O-N 2.82Å; L59-N61 VanDerWaalsContact O-N 3.1Å; L59-N62 WeakPolarHBondContact O-CA 3.45Å; L59-N62 PolarHBondContact O-N 2.84Å; L59-Y63 WeakPolarHBondContact CB-O 3.42Å; L59-Y63 WeakPolarHBondContact CG-O 3.34Å; L59-Y63 PolarHBondContact N-O 3.5Å; L59-A65 HydrophobicContact CD1-CB 3.99Å; L59-A65 HydrophobicContact CD2-CB 3.94Å; L59-A65 HydrophobicContact CG-CB 4Å; L59-Q92 HydrophobicContact CD2-CG 3.49Å; L59-Q92 VanDerWaalsContact CD2-CG 3.49Å; L59-H98 WeakPolarHBondContact CD1-CD2 3.36Å; L59-H98 VanDerWaalsContact CD1-NE2 3.32Å; L59-H98 WeakPolarHBondContact CD1-NE2 3.33Å
60E97.2Very high98.4Very high190 Ų19050 Ų5089%0.88825%0.246SC*.THydrogen-bonded Turntrans-57-26.7176.3-63.7169-170.700113.2N62E60-N62 VanDerWaalsContact C-N 3.27Å; E60-N62 PolarHBondContact O-N 2.86Å
61N96.7Very high98.4Very high72 Ų7247 Ų4739%0.38523%0.232SC..THydrogen-bonded Turntrans-88.914.6176.569.9-9.5000113.5L59 Y63 H98L59-N61 WeakPolarHBondContact CB-OD1 3.35Å; L59-N61 PolarHBondContact O-N 2.82Å; L59-N61 VanDerWaalsContact O-N 3.1Å; N61-Y63 HydrophobicContact CB-CD2 4.47Å; N61-Y63 WeakPolarHBondContact O-CD2 3.41Å; N61-Y63 PolarHBondContact O-N 3.18Å; N61-Y63 PolarHBondContact OD1-N 3.36Å; N61-H98 PolarHBondContact ND2-CE1 3.21Å; N61-H98 VanDerWaalsContact ND2-CE1 3.26Å; N61-H98 PolarHBondContact ND2-ND1 3.38Å
62N97.6Very high98.2Very high131 Ų13152.8 Ų52.870%0.70126%0.259SS*.SBendtrans64.712.3179.9-54.8-50.2000115.8L59 E60L59-N62 WeakPolarHBondContact O-CA 3.45Å; L59-N62 PolarHBondContact O-N 2.84Å; E60-N62 VanDerWaalsContact C-N 3.27Å; E60-N62 PolarHBondContact O-N 2.86Å
63Y98.6Very high98.1Very high104 Ų10454.4 Ų54.441%0.40828%0.275SS..  trans-87.7158.6168.9-77.5-95.5000111.4L59 N61 H98 M100L59-Y63 WeakPolarHBondContact CB-O 3.42Å; L59-Y63 WeakPolarHBondContact CG-O 3.34Å; L59-Y63 PolarHBondContact N-O 3.5Å; N61-Y63 HydrophobicContact CB-CD2 4.47Å; N61-Y63 WeakPolarHBondContact O-CD2 3.41Å; N61-Y63 PolarHBondContact O-N 3.18Å; N61-Y63 PolarHBondContact OD1-N 3.36Å; Y63-H98 HydrophobicContact CD1-CB 3.73Å; Y63-H98 HydrophobicContact CE1-CB 4.48Å; Y63-H98 HydrophobicContact CG-CB 3.85Å; Y63-M100 HydrophobicContact CD1-CG 3.89Å; Y63-M100 HydrophobicContact CD1-SD 3.8Å; Y63-M100 HydrophobicContact CE1-CG 3.76Å; Y63-M100 HydrophobicContact CE1-SD 4Å; Y63-M100 HydrophobicContact CG-SD 4.41Å
64T98.6Very high98.1Very high15 Ų1557.2 Ų57.29%0.09229%0.285CS..EExtended strand (participates in β ladder)trans-91.1137171.8-55.80000110.4E56 I57 F99E56-T64 HydrophobicContact CG-CG2 3.54Å; I57-T64 CarbonylContact O-C 3.57Å; I57-T64 WeakPolarHBondContact O-CA 3.15Å; T64-F99 WeakPolarHBondContact CB-O 3.24Å; T64-F99 PolarHBondContact N-O 2.79Å; T64-F99 PolarHBondContact O-N 2.88Å
65A98.7Very high98.1Very high0 Ų058 Ų580%029%0.288CS..EExtended strand (participates in β ladder)trans-119.5149.3165.500000110.5I57 L59 Y75I57-A65 PolarHBondContact N-O 2.86Å; I57-A65 PolarHBondContact O-N 2.76Å; L59-A65 HydrophobicContact CD1-CB 3.99Å; L59-A65 HydrophobicContact CD2-CB 3.94Å; L59-A65 HydrophobicContact CG-CB 4Å; A65-Y75 HydrophobicContact CB-CD1 4.09Å; A65-Y75 HydrophobicContact CB-CE1 4.32Å
66L98.8Very high98.1Very high24 Ų2457 Ų5713%0.12628%0.282CS..EExtended strand (participates in β ladder)trans-118.2100177.3-67.1170.6000109.2V22 F54 T55 E56 Y75 M76V22-L66 HydrophobicContact CG2-CD2 4.41Å; F54-L66 HydrophobicContact CB-CB 4.21Å; F54-L66 HydrophobicContact CB-CD2 4.34Å; F54-L66 HydrophobicContact CD1-CB 4.17Å; F54-L66 HydrophobicContact CG-CB 4.43Å; T55-L66 WeakPolarHBondContact O-CA 3.4Å; E56-L66 HydrophobicContact CB-CD2 4.08Å; E56-L66 HydrophobicContact CG-CD2 4.21Å; L66-Y75 CarbonylContact O-C 3.57Å; L66-Y75 WeakPolarHBondContact O-CA 3.07Å; L66-M76 HydrophobicContact CB-CB 3.98Å; L66-M76 HydrophobicContact CD1-CE 3.9Å; L66-M76 HydrophobicContact CD1-SD 3.84Å; L66-M76 PolarHBondContact O-N 3.01Å
67Q98.8Very high98.2Very high40 Ų4055.1 Ų55.119%0.18727%0.273CS..EExtended strand (participates in β ladder)trans-89.3133178.8-169.2-176.441.600110.2F54 T55 I57 A69 Y75F54-Q67 CarbonylContact C-O 3.5Å; F54-Q67 WeakPolarHBondContact CA-O 3.46Å; T55-Q67 PolarHBondContact N-O 2.64Å; T55-Q67 PolarHBondContact O-N 2.75Å; I57-Q67 HydrophobicContact CD1-CB 3.9Å; Q67-A69 PolarHBondContact O-N 3.01Å; Q67-Y75 HydrophobicContact CB-CD1 3.89Å; Q67-Y75 HydrophobicContact CB-CE1 3.79Å; Q67-Y75 HydrophobicContact CG-CD1 4.25Å; Q67-Y75 HydrophobicContact CG-CE1 3.98Å; Q67-Y75 PolarHBondContact NE2-OH 3.48Å
68N98.8Very high98.2Very high1 Ų156.6 Ų56.61%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-69.9134.3179.4-171.4-97.8000111.5M35 D51 V53 F54 K70 Y71 W74M35-N68 HydrophobicContact CE-CB 4.41Å; M35-N68 HydrophobicContact SD-CB 4.15Å; D51-N68 PolarHBondContact O-ND2 2.8Å; V53-N68 PolarHBondContact O-ND2 3Å; F54-N68 HydrophobicContact CD1-CB 4.14Å; F54-N68 HydrophobicContact CE1-CB 3.94Å; N68-K70 PolarHBondContact O-N 3.3Å; N68-K70 WeakPolarHBondContact OD1-CA 3.46Å; N68-K70 WeakPolarHBondContact OD1-CB 3.18Å; N68-K70 PolarHBondContact OD1-N 3.04Å; N68-Y71 CarbonylContact O-C 3.41Å; N68-Y71 VanDerWaalsContact OD1-CD2 3.28Å; N68-Y71 WeakPolarHBondContact OD1-CD2 3.49Å; N68-Y71 PolarHBondContact OD1-N 3.41Å; N68-W74 PolarHBondContact N-O 2.88Å
69A98.4Very high98.2Very high2 Ų253.6 Ų53.62%0.01726%0.26CS..SBendtrans-75.9-21-176.800000113.9K50 V53 Q67K50-A69 WeakPolarHBondContact CE-O 3.42Å; K50-A69 HydrophobicContact CG-CB 4Å; K50-A69 PolarHBondContact NZ-O 3.15Å; V53-A69 HydrophobicContact CB-CB 3.86Å; V53-A69 HydrophobicContact CG1-CB 3.79Å; V53-A69 WeakPolarHBondContact O-CB 3.38Å; V53-A69 PolarHBondContact O-N 2.88Å; Q67-A69 PolarHBondContact O-N 3.01Å
70K98.4Very high98.1Very high108 Ų10864.7 Ų64.747%0.4730%0.301SS..SBendtrans-88.8-40.2176.6-176176.2-178.5173.30112K50 D51 N68K50-K70 HydrophobicContact CB-CB 4.2Å; K50-K70 HydrophobicContact CD-CB 4.49Å; K50-K70 HydrophobicContact CG-CB 4.22Å; D51-K70 HydrophobicContact CB-CD 3.91Å; N68-K70 PolarHBondContact O-N 3.3Å; N68-K70 WeakPolarHBondContact OD1-CA 3.46Å; N68-K70 WeakPolarHBondContact OD1-CB 3.18Å; N68-K70 PolarHBondContact OD1-N 3.04Å
71Y98.3Very high98.1Very high47 Ų4763.8 Ų63.818%0.18430%0.295CS..SBendtrans-112.183.4179.9-48.3-74.4000109.1M35 K37 D51 N68 W74M35-Y71 HydrophobicContact CB-CD2 4.37Å; M35-Y71 HydrophobicContact CG-CD2 4.35Å; M35-Y71 VanDerWaalsContact O-CE2 3.31Å; M35-Y71 WeakPolarHBondContact O-CE2 3.28Å; K37-Y71 HydrophobicContact CB-CE1 4.41Å; K37-Y71 PolarHBondContact N-OH 3.03Å; D51-Y71 HydrophobicContact CB-CE2 4.44Å; N68-Y71 CarbonylContact O-C 3.41Å; N68-Y71 VanDerWaalsContact OD1-CD2 3.28Å; N68-Y71 WeakPolarHBondContact OD1-CD2 3.49Å; N68-Y71 PolarHBondContact OD1-N 3.41Å; Y71-W74 HydrophobicContact CD1-CE3 4.31Å; Y71-W74 AromaticContact CD1-CZ3 3.98Å; Y71-W74 HydrophobicContact CD1-CZ3 3.98Å; Y71-W74 HydrophobicContact CD2-CE3 4.08Å; Y71-W74 HydrophobicContact CD2-CZ3 4.21Å; Y71-W74 HydrophobicContact CG-CD2 4.46Å; Y71-W74 AromaticContact CG-CE3 3.67Å; Y71-W74 HydrophobicContact CG-CE3 3.67Å; Y71-W74 AromaticContact CG-CZ3 3.77Å; Y71-W74 HydrophobicContact CG-CZ3 3.77Å; Y71-W74 WeakPolarHBondContact O-CB 3.25Å; Y71-W74 PolarHBondContact O-N 2.87Å; Y71-W74 VanDerWaalsContact O-N 3.11Å
72E95.3Very high98Very high145 Ų14562.6 Ų62.668%0.67830%0.299SS*.THydrogen-bonded Turntrans-58.9144.5-179.6-65.3-179.2-175.400111W74E72-W74 PolarHBondContact O-N 3.36Å
73G97.6Very high98Very high33 Ų3364.6 Ų64.634%0.3430%0.297SS..THydrogen-bonded Turntrans77.7-4.8-172.400000115Y75G73-Y75 WeakPolarHBondContact O-CD2 3.45Å; G73-Y75 VanDerWaalsContact O-CE2 3.3Å; G73-Y75 WeakPolarHBondContact O-CE2 3.31Å
74W98.7Very high98Very high61 Ų6163.6 Ų63.623%0.23130%0.303CS..  trans-101.8131.8173.5-653.8000111.2M35 K37 G39 N68 Y71 E72M35-W74 HydrophobicContact CG-CE3 4.49Å; M35-W74 HydrophobicContact SD-CB 3.77Å; M35-W74 HydrophobicContact SD-CD2 4.41Å; M35-W74 HydrophobicContact SD-CE3 3.71Å; M35-W74 HydrophobicContact SD-CG 4.5Å; K37-W74 WeakPolarHBondContact O-CH2 3.22Å; G39-W74 VanDerWaalsContact CA-CZ3 3.4Å; G39-W74 VanDerWaalsContact N-CZ3 3.29Å; N68-W74 PolarHBondContact N-O 2.88Å; Y71-W74 HydrophobicContact CD1-CE3 4.31Å; Y71-W74 AromaticContact CD1-CZ3 3.98Å; Y71-W74 HydrophobicContact CD1-CZ3 3.98Å; Y71-W74 HydrophobicContact CD2-CE3 4.08Å; Y71-W74 HydrophobicContact CD2-CZ3 4.21Å; Y71-W74 HydrophobicContact CG-CD2 4.46Å; Y71-W74 AromaticContact CG-CE3 3.67Å; Y71-W74 HydrophobicContact CG-CE3 3.67Å; Y71-W74 AromaticContact CG-CZ3 3.77Å; Y71-W74 HydrophobicContact CG-CZ3 3.77Å; Y71-W74 WeakPolarHBondContact O-CB 3.25Å; Y71-W74 PolarHBondContact O-N 2.87Å; Y71-W74 VanDerWaalsContact O-N 3.11Å; E72-W74 PolarHBondContact O-N 3.36Å
75Y98.9Very high98Very high16 Ų1666 Ų666%0.06331%0.31CS..BIsolated β-bridgetrans-113.8150.9-174.9-60.3-97.9000111M35 I57 A65 L66 Q67 G73 A77 T90 Q92 V97M35-Y75 WeakPolarHBondContact CE-O 3.39Å; I57-Y75 HydrophobicContact CD1-CE1 4.4Å; A65-Y75 HydrophobicContact CB-CD1 4.09Å; A65-Y75 HydrophobicContact CB-CE1 4.32Å; L66-Y75 CarbonylContact O-C 3.57Å; L66-Y75 WeakPolarHBondContact O-CA 3.07Å; Q67-Y75 HydrophobicContact CB-CD1 3.89Å; Q67-Y75 HydrophobicContact CB-CE1 3.79Å; Q67-Y75 HydrophobicContact CG-CD1 4.25Å; Q67-Y75 HydrophobicContact CG-CE1 3.98Å; Q67-Y75 PolarHBondContact NE2-OH 3.48Å; G73-Y75 WeakPolarHBondContact O-CD2 3.45Å; G73-Y75 VanDerWaalsContact O-CE2 3.3Å; G73-Y75 WeakPolarHBondContact O-CE2 3.31Å; Y75-A77 PolarHBondContact O-N 2.88Å; Y75-T90 PolarHBondContact N-OG1 2.79Å; Y75-Q92 HydrophobicContact CE1-CB 4.47Å; Y75-Q92 HydrophobicContact CE1-CG 4.49Å; Y75-Q92 HydrophobicContact CE2-CB 4.4Å; Y75-Q92 PolarHBondContact OH-OE1 2.78Å; Y75-V97 HydrophobicContact CG-CB 4.41Å; Y75-V97 HydrophobicContact CG-CG1 4.18Å
76M98.8Very high98Very high9 Ų971.4 Ų71.44%0.04433%0.334CS..  trans-60133.6160.8-169.4179.2-63.200108.3I33 L41 F54 L66 F78 F99I33-M76 HydrophobicContact CB-CE 4.38Å; I33-M76 HydrophobicContact CG2-CE 3.68Å; L41-M76 HydrophobicContact CD1-CG 3.75Å; L41-M76 HydrophobicContact CD2-CG 4.24Å; F54-M76 HydrophobicContact CD1-CE 4.41Å; F54-M76 HydrophobicContact CD2-CE 4.43Å; F54-M76 HydrophobicContact CE1-CB 4.32Å; F54-M76 HydrophobicContact CE1-CE 4.1Å; F54-M76 HydrophobicContact CE2-CE 4.14Å; F54-M76 HydrophobicContact CZ-CE 3.96Å; L66-M76 HydrophobicContact CB-CB 3.98Å; L66-M76 HydrophobicContact CD1-CE 3.9Å; L66-M76 HydrophobicContact CD1-SD 3.84Å; L66-M76 PolarHBondContact O-N 3.01Å; M76-F78 HydrophobicContact CG-CE2 4.09Å; M76-F78 HydrophobicContact SD-CE2 4.28Å; M76-F99 HydrophobicContact CB-CE2 4.17Å; M76-F99 HydrophobicContact CB-CZ 4.19Å; M76-F99 HydrophobicContact CG-CE2 4.41Å; M76-F99 HydrophobicContact CG-CZ 3.96Å; M76-F99 VanDerWaalsContact O-CE2 3.28Å; M76-F99 WeakPolarHBondContact O-CE2 3.32Å; M76-F99 HydrophobicContact SD-CZ 4.35Å
77A98.7Very high98Very high0 Ų070.3 Ų70.30%033%0.328CS..  trans-156145.9-175.600000112.9Y75 R85 T90 E96 V97Y75-A77 PolarHBondContact O-N 2.88Å; A77-R85 HydrophobicContact CB-CB 3.89Å; A77-R85 HydrophobicContact CB-CG 4.39Å; A77-R85 PolarHBondContact O-N 3.18Å; A77-T90 HydrophobicContact CB-CG2 3.49Å; A77-T90 VanDerWaalsContact CB-CG2 3.49Å; A77-E96 WeakPolarHBondContact CA-O 3.47Å; A77-E96 WeakPolarHBondContact CB-O 3.5Å; A77-V97 HydrophobicContact CB-CG1 3.9Å
78F98.5Very high97.9Very high73 Ų7370.9 Ų70.932%0.3234%0.336SS..BIsolated β-bridgetrans-131.6139.6172.8-59.9-91000110.4L41 M76 R83 P84 E96 F99L41-F78 HydrophobicContact CD1-CE1 4.42Å; L41-F78 HydrophobicContact CD1-CE2 4.46Å; L41-F78 HydrophobicContact CD1-CZ 4.04Å; M76-F78 HydrophobicContact CG-CE2 4.09Å; M76-F78 HydrophobicContact SD-CE2 4.28Å; F78-R83 WeakPolarHBondContact CA-O 3.44Å; F78-P84 HydrophobicContact CD1-CB 4.46Å; F78-P84 HydrophobicContact CD1-CG 4.3Å; F78-P84 HydrophobicContact CE1-CB 4.37Å; F78-P84 HydrophobicContact CE1-CG 4.05Å; F78-E96 PolarHBondContact N-O 2.88Å; F78-E96 VanDerWaalsContact N-O 3.07Å; F78-E96 WeakPolarHBondContact O-CA 3.24Å; F78-E96 WeakPolarHBondContact O-CB 3.24Å; F78-E96 WeakPolarHBondContact O-CG 3.15Å; F78-F99 AromaticContact CD2-CE1 3.73Å; F78-F99 HydrophobicContact CD2-CE1 3.73Å; F78-F99 AromaticContact CD2-CZ 3.95Å; F78-F99 HydrophobicContact CD2-CZ 3.95Å; F78-F99 AromaticContact CE2-CE1 3.95Å; F78-F99 HydrophobicContact CE2-CE1 3.95Å; F78-F99 HydrophobicContact CE2-CZ 4.15Å
79T98.1Very high97.9Very high45 Ų4577.1 Ų77.128%0.27636%0.364SS..  trans-66.8166.8174.3620000111.2K81 G82 R83 R85T79-K81 PolarHBondContact O-N 2.77Å; T79-G82 WeakPolarHBondContact O-CA 3.39Å; T79-G82 PolarHBondContact O-N 2.86Å; T79-R83 PolarHBondContact N-O 3.4Å; T79-R83 WeakPolarHBondContact OG1-CB 3.5Å; T79-R83 PolarHBondContact OG1-N 2.78Å; T79-R83 VanDerWaalsContact OG1-N 3.15Å; T79-R83 PolarHBondContact OG1-O 2.96Å; T79-R85 HydrophobicContact CG2-CB 4.38Å
80R96.7Very high97.9Very high243 Ų24377 Ų7792%0.91736%0.363SS*.THydrogen-bonded Turntrans-51.8-27.7173.1-173.3173.1-178.81651.1114.2G82R80-G82 VanDerWaalsContact C-N 3.29Å
81K96.4Very high97.9Very high171 Ų17178.3 Ų78.374%0.74337%0.365SS*.THydrogen-bonded Turntrans-88.310.4177.1-61.4-173.8178.7-176.10113.3T79 R83T79-K81 PolarHBondContact O-N 2.77Å; K81-R83 VanDerWaalsContact C-N 3.26Å; K81-R83 PolarHBondContact O-N 3.26Å
82G96.5Very high97.9Very high46 Ų4679.9 Ų79.947%0.47437%0.374SS..SBendtrans74.57.2-178.500000115T79 R80T79-G82 WeakPolarHBondContact O-CA 3.39Å; T79-G82 PolarHBondContact O-N 2.86Å; R80-G82 VanDerWaalsContact C-N 3.29Å
83R97.4Very high98Very high174 Ų17480.1 Ų80.166%0.65737%0.374SS*.PPolyproline II helixtrans-81.2140.2179.8-62.3-177.3177.2176.1-2.4111.3F78 T79 K81 R85F78-R83 WeakPolarHBondContact CA-O 3.44Å; T79-R83 PolarHBondContact N-O 3.4Å; T79-R83 WeakPolarHBondContact OG1-CB 3.5Å; T79-R83 PolarHBondContact OG1-N 2.78Å; T79-R83 VanDerWaalsContact OG1-N 3.15Å; T79-R83 PolarHBondContact OG1-O 2.96Å; K81-R83 VanDerWaalsContact C-N 3.26Å; K81-R83 PolarHBondContact O-N 3.26Å; R83-R85 PolarHBondContact O-N 2.79Å
84P98.1Very high98Very high83 Ų8380.6 Ų80.654%0.53937%0.368SS..BIsolated β-bridgetrans-57.3132.7176.1-23.932.4000112.4L41 F78L41-P84 HydrophobicContact CD1-CB 4.48Å; F78-P84 HydrophobicContact CD1-CB 4.46Å; F78-P84 HydrophobicContact CD1-CG 4.3Å; F78-P84 HydrophobicContact CE1-CB 4.37Å; F78-P84 HydrophobicContact CE1-CG 4.05Å
85R98.3Very high98Very high64 Ų6488.4 Ų88.424%0.24240%0.397CS..PPolyproline II helixtrans-99.3146.2173.5175.5163.4177.6158.3-4110.6A77 T79 R83 G87 K89 T90 E96A77-R85 HydrophobicContact CB-CB 3.89Å; A77-R85 HydrophobicContact CB-CG 4.39Å; A77-R85 PolarHBondContact O-N 3.18Å; T79-R85 HydrophobicContact CG2-CB 4.38Å; R83-R85 PolarHBondContact O-N 2.79Å; R85-G87 PolarHBondContact O-N 3.15Å; R85-K89 PolarHBondContact NE-O 3.29Å; R85-K89 PolarHBondContact NH2-O 3.4Å; R85-T90 HydrophobicContact CG-CG2 4.3Å; R85-E96 WeakPolarHBondContact CD-OE2 3.42Å; R85-E96 IonicContact CZ-OE2 3.36Å; R85-E96 IonicContact NE-OE2 3.42Å; R85-E96 PolarHBondContact NE-OE2 3.47Å; R85-E96 VanDerWaalsContact NH1-CD 3.26Å; R85-E96 IonicContact NH1-OE1 3.62Å; R85-E96 IonicContact NH1-OE2 3.65Å; R85-E96 PolarHBondContact NH1-OE2 3.42Å
86K98.4Very high98Very high115 Ų11590 Ų9050%0.541%0.405SS..PPolyproline II helixtrans-68.7128.9175.6-65.2-175.3-178.61800110.1G39 S88 K89G39-K86 CarbonylContact O-C 3.57Å; G39-K86 VanDerWaalsContact O-CA 3.32Å; G39-K86 WeakPolarHBondContact O-CA 3.47Å; K86-S88 PolarHBondContact O-N 2.86Å; K86-K89 WeakPolarHBondContact O-CB 3.4Å; K86-K89 PolarHBondContact O-N 3.15Å
87G98.3Very high98Very high0 Ų089.6 Ų89.60%040%0.403CS..G310 helixtrans-52.3-37.2176.500000113.5G39 R85 K89 T90G39-G87 PolarHBondContact O-N 2.91Å; R85-G87 PolarHBondContact O-N 3.15Å; G87-K89 PolarHBondContact O-N 3.49Å; G87-T90 WeakPolarHBondContact O-CB 3.48Å; G87-T90 PolarHBondContact O-N 2.9Å; G87-T90 PolarHBondContact O-OG1 3.44Å
88S98Very high98Very high52 Ų5291.1 Ų91.136%0.36441%0.41SS..G310 helixtrans-59-23.1176.368.10000114.4K86K86-S88 PolarHBondContact O-N 2.86Å
89K98.3Very high98Very high133 Ų13390 Ų9058%0.57841%0.406SS*.G310 helixtrans-98.93.6178.3-60.4-168.7174.6-168.30113.1R85 K86 G87 Q94R85-K89 PolarHBondContact NE-O 3.29Å; R85-K89 PolarHBondContact NH2-O 3.4Å; K86-K89 WeakPolarHBondContact O-CB 3.4Å; K86-K89 PolarHBondContact O-N 3.15Å; G87-K89 PolarHBondContact O-N 3.49Å; K89-Q94 PolarHBondContact O-OE1 3.39Å
90T98.6Very high98Very high0 Ų093.6 Ų93.60%042%0.421CS..  trans-88.8149.9-178.6630000111.2Y75 A77 R85 G87 V97Y75-T90 PolarHBondContact N-OG1 2.79Å; A77-T90 HydrophobicContact CB-CG2 3.49Å; A77-T90 VanDerWaalsContact CB-CG2 3.49Å; R85-T90 HydrophobicContact CG-CG2 4.3Å; G87-T90 WeakPolarHBondContact O-CB 3.48Å; G87-T90 PolarHBondContact O-N 2.9Å; G87-T90 PolarHBondContact O-OG1 3.44Å; T90-V97 HydrophobicContact CG2-CG1 3.99Å
91R98.3Very high98Very high134 Ų13489.1 Ų89.151%0.50641%0.408SS..  trans-142.4147.8169.7-63-66.1-176.3-95.54.2108.2H93 Q94 V97R91-H93 VanDerWaalsContact C-N 3.26Å; R91-H93 PolarHBondContact O-N 3.26Å; R91-Q94 HydrophobicContact CB-CG 4.08Å; R91-Q94 WeakPolarHBondContact O-CB 3.32Å; R91-Q94 PolarHBondContact O-N 3.31Å; R91-V97 WeakPolarHBondContact O-CG2 3.26Å
92Q98.1Very high97.9Very high81 Ų8189.1 Ų89.138%0.37940%0.403SS..THydrogen-bonded Turntrans-56.9-34.7-174.2-171.8166.2-57.100114.3L59 Y75 Q94 V97 H98L59-Q92 HydrophobicContact CD2-CG 3.49Å; L59-Q92 VanDerWaalsContact CD2-CG 3.49Å; Y75-Q92 HydrophobicContact CE1-CB 4.47Å; Y75-Q92 HydrophobicContact CE1-CG 4.49Å; Y75-Q92 HydrophobicContact CE2-CB 4.4Å; Y75-Q92 PolarHBondContact OH-OE1 2.78Å; Q92-Q94 VanDerWaalsContact C-N 3.26Å; Q92-Q94 PolarHBondContact O-N 2.88Å; Q92-V97 WeakPolarHBondContact O-CG2 3.39Å; Q92-H98 PolarHBondContact O-NE2 3.46Å
93H97.2Very high97.7Very high149 Ų14991.9 Ų91.969%0.6941%0.406SS*.THydrogen-bonded Turntrans-76.5-8.5-179.165.1-100.1000114R91R91-H93 VanDerWaalsContact C-N 3.26Å; R91-H93 PolarHBondContact O-N 3.26Å
94Q98.4Very high97.4Very high43 Ų4386.7 Ų86.720%0.20140%0.395CS..SBendtrans-79.1132.2-176.2-67.5173.8-17.600110.8K89 R91 Q92 E96 V97 H98K89-Q94 PolarHBondContact O-OE1 3.39Å; R91-Q94 HydrophobicContact CB-CG 4.08Å; R91-Q94 WeakPolarHBondContact O-CB 3.32Å; R91-Q94 PolarHBondContact O-N 3.31Å; Q92-Q94 VanDerWaalsContact C-N 3.26Å; Q92-Q94 PolarHBondContact O-N 2.88Å; Q94-E96 PolarHBondContact O-N 2.65Å; Q94-V97 WeakPolarHBondContact O-CG2 3.5Å; Q94-V97 PolarHBondContact O-N 3.02Å; Q94-H98 PolarHBondContact O-NE2 2.86Å
95R98.4Very high96.8Very high225 Ų22590 Ų9085%0.84940%0.397SS*.G310 helixtrans-55.9-26.3177.5-65.4-174.8-179.6-174.8-0.1114.1V97 H98R95-V97 PolarHBondContact O-N 2.85Å; R95-H98 WeakPolarHBondContact O-CB 3.39Å; R95-H98 PolarHBondContact O-N 3.1Å; R95-H98 VanDerWaalsContact O-N 3.15Å
96E98.5Very high95.7Very high50 Ų5090 Ų9023%0.23442%0.418CS..G310 helixtrans-69.4-15.5-179.5-64.4-171.4174.600114.2A77 F78 R85 Q94A77-E96 WeakPolarHBondContact CA-O 3.47Å; A77-E96 WeakPolarHBondContact CB-O 3.5Å; F78-E96 PolarHBondContact N-O 2.88Å; F78-E96 VanDerWaalsContact N-O 3.07Å; F78-E96 WeakPolarHBondContact O-CA 3.24Å; F78-E96 WeakPolarHBondContact O-CB 3.24Å; F78-E96 WeakPolarHBondContact O-CG 3.15Å; R85-E96 WeakPolarHBondContact CD-OE2 3.42Å; R85-E96 IonicContact CZ-OE2 3.36Å; R85-E96 IonicContact NE-OE2 3.42Å; R85-E96 PolarHBondContact NE-OE2 3.47Å; R85-E96 VanDerWaalsContact NH1-CD 3.26Å; R85-E96 IonicContact NH1-OE1 3.62Å; R85-E96 IonicContact NH1-OE2 3.65Å; R85-E96 PolarHBondContact NH1-OE2 3.42Å; Q94-E96 PolarHBondContact O-N 2.65Å
97V98.8Very high94.2Very high0 Ų090.6 Ų90.60%042%0.422CS..G310 helixtrans-98.8-0.2173.9-55.70000112.7Y75 A77 T90 R91 Q92 Q94 R95 F99Y75-V97 HydrophobicContact CG-CB 4.41Å; Y75-V97 HydrophobicContact CG-CG1 4.18Å; A77-V97 HydrophobicContact CB-CG1 3.9Å; T90-V97 HydrophobicContact CG2-CG1 3.99Å; R91-V97 WeakPolarHBondContact O-CG2 3.26Å; Q92-V97 WeakPolarHBondContact O-CG2 3.39Å; Q94-V97 WeakPolarHBondContact O-CG2 3.5Å; Q94-V97 PolarHBondContact O-N 3.02Å; R95-V97 PolarHBondContact O-N 2.85Å; V97-F99 VanDerWaalsContact O-CD2 3.25Å; V97-F99 WeakPolarHBondContact O-CD2 3.36Å; V97-F99 VanDerWaalsContact O-CE2 3.31Å; V97-F99 WeakPolarHBondContact O-CE2 3.29Å
98H98.8Very high92.4Very high32 Ų3298.1 Ų98.115%0.14846%0.457CS..  trans-93.6125.9-176-61.6167.1000110L59 N61 Y63 Q92 Q94 R95L59-H98 WeakPolarHBondContact CD1-CD2 3.36Å; L59-H98 VanDerWaalsContact CD1-NE2 3.32Å; L59-H98 WeakPolarHBondContact CD1-NE2 3.33Å; N61-H98 PolarHBondContact ND2-CE1 3.21Å; N61-H98 VanDerWaalsContact ND2-CE1 3.26Å; N61-H98 PolarHBondContact ND2-ND1 3.38Å; Y63-H98 HydrophobicContact CD1-CB 3.73Å; Y63-H98 HydrophobicContact CE1-CB 4.48Å; Y63-H98 HydrophobicContact CG-CB 3.85Å; Q92-H98 PolarHBondContact O-NE2 3.46Å; Q94-H98 PolarHBondContact O-NE2 2.86Å; R95-H98 WeakPolarHBondContact O-CB 3.39Å; R95-H98 PolarHBondContact O-N 3.1Å; R95-H98 VanDerWaalsContact O-N 3.15Å
99F98.6Very high90.2Very high51 Ų5198.7 Ų98.722%0.22446%0.458CS..BIsolated β-bridgetrans-123.9155.2-179.3-59.6-83000110.7T64 M76 F78 V97T64-F99 WeakPolarHBondContact CB-O 3.24Å; T64-F99 PolarHBondContact N-O 2.79Å; T64-F99 PolarHBondContact O-N 2.88Å; M76-F99 HydrophobicContact CB-CE2 4.17Å; M76-F99 HydrophobicContact CB-CZ 4.19Å; M76-F99 HydrophobicContact CG-CE2 4.41Å; M76-F99 HydrophobicContact CG-CZ 3.96Å; M76-F99 VanDerWaalsContact O-CE2 3.28Å; M76-F99 WeakPolarHBondContact O-CE2 3.32Å; M76-F99 HydrophobicContact SD-CZ 4.35Å; F78-F99 AromaticContact CD2-CE1 3.73Å; F78-F99 HydrophobicContact CD2-CE1 3.73Å; F78-F99 AromaticContact CD2-CZ 3.95Å; F78-F99 HydrophobicContact CD2-CZ 3.95Å; F78-F99 AromaticContact CE2-CE1 3.95Å; F78-F99 HydrophobicContact CE2-CE1 3.95Å; F78-F99 HydrophobicContact CE2-CZ 4.15Å; V97-F99 VanDerWaalsContact O-CD2 3.25Å; V97-F99 WeakPolarHBondContact O-CD2 3.36Å; V97-F99 VanDerWaalsContact O-CE2 3.31Å; V97-F99 WeakPolarHBondContact O-CE2 3.29Å
100M97.8Very high87.9Confident120 Ų12098 Ų9859%0.59147%0.465SS*.  trans-121127.9167.5-70.5-62.5-70.600108.4Y63Y63-M100 HydrophobicContact CD1-CG 3.89Å; Y63-M100 HydrophobicContact CD1-SD 3.8Å; Y63-M100 HydrophobicContact CE1-CG 3.76Å; Y63-M100 HydrophobicContact CE1-SD 4Å; Y63-M100 HydrophobicContact CG-SD 4.41Å
101K96.3Very high85.6Confident148 Ų148104.3 Ų104.364%0.64349%0.494SS*.  trans-73.9132.5172.4-62.2-176.2-63.1-172.40108.4E56E56-K101 VanDerWaalsContact OE1-CE 3.29Å; E56-K101 WeakPolarHBondContact OE1-CE 3.47Å; E56-K101 IonicContact OE1-NZ 3.53Å; E56-K101 PolarHBondContact OE1-NZ 3.48Å; E56-K101 IonicContact OE2-NZ 3.38Å
102R95.1Very high83.2Confident171 Ų171106.7 Ų106.765%0.64551%0.511SS*.  trans-125.3147.8179.4-62.1-176.266.9-151.2-8.8109.2D4D4-R102 VanDerWaalsContact CG-NH1 3.26Å; D4-R102 VanDerWaalsContact CG-NH2 3.31Å; D4-R102 IonicContact OD1-CZ 3.49Å; D4-R102 IonicContact OD1-NH1 2.78Å; D4-R102 PolarHBondContact OD1-NH1 2.94Å; D4-R102 IonicContact OD1-NH2 3.54Å; D4-R102 IonicContact OD2-CZ 2.63Å; D4-R102 IonicContact OD2-NH1 3.09Å; D4-R102 IonicContact OD2-NH2 2.8Å; D4-R102 PolarHBondContact OD2-NH2 2.86Å
103L93.1Very high80.8Confident104 Ų104107.1 Ų107.155%0.54552%0.523SS..PPolyproline II helixtrans-67.4144.5170.7-65.5172.6000109.5T109L103-T109 HydrophobicContact CD1-CG2 3.61Å
104P90.9Very high78.7Confident65 Ų65105.5 Ų105.542%0.42252%0.519SS..PPolyproline II helixtrans-56.2142.4169.9-22.833.5000111.1G106 H107P104-G106 PolarHBondContact O-N 3.35Å; P104-H107 HydrophobicContact CB-CB 4.5Å; P104-H107 VanDerWaalsContact O-CB 3.23Å; P104-H107 WeakPolarHBondContact O-CB 3.5Å; P104-H107 PolarHBondContact O-N 3.08Å; P104-H107 VanDerWaalsContact O-N 3.08Å
105R85.4Confident76.1Confident152 Ų152113.8 Ų113.857%0.57455%0.548SS*.THydrogen-bonded Turntrans-56.5140.7174.9-79.5-159.3174.9168.8-4.9110.9D4 H107D4-R105 VanDerWaalsContact C-CZ 3.48Å; D4-R105 VanDerWaalsContact C-NE 3.28Å; D4-R105 VanDerWaalsContact O-CD 3.24Å; D4-R105 WeakPolarHBondContact O-CD 3.47Å; D4-R105 PolarHBondContact O-NE 3.32Å; D4-R105 PolarHBondContact O-NH1 2.78Å; D4-R105 IonicContact OD1-NE 3.52Å; D4-R105 WeakPolarHBondContact OD2-CG 3.23Å; D4-R105 IonicContact OD2-CZ 2.75Å; D4-R105 IonicContact OD2-NE 3.8Å; D4-R105 PolarHBondContact OD2-NE 3.49Å; D4-R105 IonicContact OD2-NH2 2.64Å; D4-R105 PolarHBondContact OD2-NH2 2.8Å; R105-H107 PolarHBondContact O-N 3.48Å
106G75.2Confident74.1Confident66 Ų66111.8 Ų111.868%0.6855%0.546SS*.THydrogen-bonded Turntrans80.8-10-176.300000114.4P104 H108P104-G106 PolarHBondContact O-N 3.35Å; G106-H108 PolarHBondContact O-N 3.32Å
107H66.4Low72.1Confident126 Ų126117.9 Ų117.958%0.58358%0.575SS**  trans-81.475.3168.1-134.9-71.3000108.6P104 R105 T109P104-H107 HydrophobicContact CB-CB 4.5Å; P104-H107 VanDerWaalsContact O-CB 3.23Å; P104-H107 WeakPolarHBondContact O-CB 3.5Å; P104-H107 PolarHBondContact O-N 3.08Å; P104-H107 VanDerWaalsContact O-N 3.08Å; R105-H107 PolarHBondContact O-N 3.48Å; H107-T109 PolarHBondContact O-N 3.01Å
108H60.1Low69.9Low159 Ų159126.1 Ų126.174%0.73661%0.611SS**  trans-63126.3162.4-59.6-81.2000106.3G106 T110G106-H108 PolarHBondContact O-N 3.32Å; H108-T110 PolarHBondContact O-N 2.96Å
109T51.7Low67.8Low64 Ų64130.8 Ų130.839%0.39364%0.636SS.*  trans-56.8113.1169.848.70000107.2L103 H107 E111 Q112L103-T109 HydrophobicContact CD1-CG2 3.61Å; H107-T109 PolarHBondContact O-N 3.01Å; T109-E111 HydrophobicContact CG2-CB 4.5Å; T109-E111 PolarHBondContact O-N 2.92Å; T109-Q112 PolarHBondContact O-N 3.09Å
110T50.4Low65.6Low117 Ų117135.6 Ų135.672%0.71866%0.664SS**G310 helixtrans-594.1154.6-21.20000110.8H108 Q112 S113H108-T110 PolarHBondContact O-N 2.96Å; T110-Q112 VanDerWaalsContact C-N 3.31Å; T110-S113 WeakPolarHBondContact O-CB 3.44Å; T110-S113 PolarHBondContact O-N 3.08Å; T110-S113 VanDerWaalsContact O-N 3.08Å; T110-S113 PolarHBondContact O-OG 3.19Å; T110-S113 VanDerWaalsContact O-OG 3.09Å
111E50.5Low63.7Low133 Ų133139 Ų13962%0.62167%0.672SS**G310 helixtrans-76.2-0.1165.9-59.3-155.1132.600115.5T109 S113 L114T109-E111 HydrophobicContact CG2-CB 4.5Å; T109-E111 PolarHBondContact O-N 2.92Å; E111-S113 PolarHBondContact O-N 3.3Å; E111-L114 HydrophobicContact CG-CD1 4.29Å; E111-L114 PolarHBondContact O-N 3.31Å
112Q46.9Very low61.8Low184 Ų184137 Ų13786%0.8667%0.674SS**G310 helixtrans-66-13.3155.6-81.4-173-600111.5T109 T110T109-Q112 PolarHBondContact O-N 3.09Å; T110-Q112 VanDerWaalsContact C-N 3.31Å
113S48.9Very low59.7Low90 Ų90134.2 Ų134.263%0.62968%0.678SS**G310 helixtrans-97.1-0.6171.81000000114.8T110 E111 R115T110-S113 WeakPolarHBondContact O-CB 3.44Å; T110-S113 PolarHBondContact O-N 3.08Å; T110-S113 VanDerWaalsContact O-N 3.08Å; T110-S113 PolarHBondContact O-OG 3.19Å; T110-S113 VanDerWaalsContact O-OG 3.09Å; E111-S113 PolarHBondContact O-N 3.3Å; S113-R115 VanDerWaalsContact C-N 3.33Å
114L53Low57.9Low115 Ų115139.4 Ų139.460%0.60270%0.697SS**  trans-103.440.8168.7-64.7-179.7000110.4E111 F116E111-L114 HydrophobicContact CG-CD1 4.29Å; E111-L114 PolarHBondContact O-N 3.31Å; L114-F116 PolarHBondContact O-N 2.73Å
115R44.6Very low56.2Low217 Ų217142.4 Ų142.482%0.81971%0.714SS**  trans-51.5118.1153.6-167.9178.5-170.1171.22.1104.9S113 E117S113-R115 VanDerWaalsContact C-N 3.33Å; R115-E117 VanDerWaalsContact C-N 3.3Å; R115-E117 PolarHBondContact O-N 3.05Å
116F55.3Low54.5Low184 Ų184146.2 Ų146.281%0.80773%0.728SS**  trans-49100.9172.3-79.6-92.3000107.6L114 F118L114-F116 PolarHBondContact O-N 2.73Å; F116-F118 PolarHBondContact O-N 2.98Å
117E55.9Low53.3Low177 Ų177146.8 Ų146.883%0.82772%0.722SS**  trans-68.599.3160.6-73.3-171.8-179.800103.5R115 L119R115-E117 VanDerWaalsContact C-N 3.3Å; R115-E117 PolarHBondContact O-N 3.05Å; E117-L119 PolarHBondContact O-N 2.78Å
118F53.8Low52.6Low174 Ų174149 Ų14976%0.76374%0.737SS**  trans-53102.4159.6-67.6-87.1000105F116 N120F116-F118 PolarHBondContact O-N 2.98Å; F118-N120 PolarHBondContact O-N 2.79Å
119L54Low51.9Low130 Ų130151.8 Ų151.868%0.68174%0.741SS**  trans-55.8100.2160.9-81.2161.8000104E117 Y121E117-L119 PolarHBondContact O-N 2.78Å; L119-Y121 HydrophobicContact CB-CD2 4.04Å; L119-Y121 HydrophobicContact CB-CE2 3.82Å; L119-Y121 HydrophobicContact CD1-CE2 4.33Å; L119-Y121 WeakPolarHBondContact O-CD2 3.38Å; L119-Y121 PolarHBondContact O-N 2.73Å
120N53.5Low51.7Low152 Ų152152.4 Ų152.481%0.81376%0.761SS**  trans-65.781.9170.1-81.4-37.6000105.7F118 P122F118-N120 PolarHBondContact O-N 2.79Å; N120-P122 WeakPolarHBondContact O-CD 3.41Å; N120-P122 VanDerWaalsContact O-N 3.15Å
121Y56.7Low51.4Low191 Ų191151.2 Ų151.275%0.74976%0.757SS**PPolyproline II helixtrans-57.4119.6164.3-80.2-84.3000105.5L119L119-Y121 HydrophobicContact CB-CD2 4.04Å; L119-Y121 HydrophobicContact CB-CE2 3.82Å; L119-Y121 HydrophobicContact CD1-CE2 4.33Å; L119-Y121 WeakPolarHBondContact O-CD2 3.38Å; L119-Y121 PolarHBondContact O-N 2.73Å
122P56.4Low51.3Low105 Ų105153.9 Ų153.968%0.68277%0.769SS**PPolyproline II helixtrans-56.1135.917722.8-31.3000107.3N120 F124N120-P122 WeakPolarHBondContact O-CD 3.41Å; N120-P122 VanDerWaalsContact O-N 3.15Å; P122-F124 PolarHBondContact O-N 3.16Å; P122-F124 VanDerWaalsContact O-N 3.16Å
123P51.7Low51.1Low113 Ų113154.6 Ų154.673%0.73476%0.764SS**PPolyproline II helixtrans-55.4129.3177.922-30.8000107.8T125P123-T125 PolarHBondContact O-N 2.95Å
124F54.3Low50.7Low213 Ų213156.6 Ų156.693%0.93477%0.773SS**  trans-52.2103.8171-100.8-94000108P122 R126P122-F124 PolarHBondContact O-N 3.16Å; P122-F124 VanDerWaalsContact O-N 3.16Å; F124-R126 VanDerWaalsContact C-N 3.29Å; F124-R126 PolarHBondContact O-N 2.82Å
125T54.7Low50.1Low129 Ų129161.8 Ų161.879%0.79178%0.784SS**  trans-73.294.716848.20000106.3P123 S127P123-T125 PolarHBondContact O-N 2.95Å; T125-S127 VanDerWaalsContact C-N 3.28Å; T125-S127 PolarHBondContact O-N 2.85Å
126R51.2Low50.2Low232 Ų232155.7 Ų155.788%0.87578%0.78SS**  trans-61.397.1167.1-165.3179.9-147.3168.46.2106.5F124 L128F124-R126 VanDerWaalsContact C-N 3.29Å; F124-R126 PolarHBondContact O-N 2.82Å; R126-L128 PolarHBondContact O-N 2.89Å
127S49.3Very low49.8Very low78 Ų78153 Ų15355%0.54578%0.782SS.*  trans-65.3104176.387.50000107.5T125 R129T125-S127 VanDerWaalsContact C-N 3.28Å; T125-S127 PolarHBondContact O-N 2.85Å; S127-R129 PolarHBondContact O-N 2.91Å
128L52.7Low49.2Very low171 Ų171153.7 Ų153.790%0.89579%0.785SS**  trans-68.680.2159.2-94.9153.5000106.7R126 G130R126-L128 PolarHBondContact O-N 2.89Å; L128-G130 PolarHBondContact O-N 3.35Å
129R44.8Very low49.5Very low218 Ų218150.7 Ų150.782%0.82378%0.783SS**  trans-86.899.8160.5-103-175.9-90.9-130.50106.8S127 S131S127-R129 PolarHBondContact O-N 2.91Å; R129-S131 PolarHBondContact O-N 3.45Å
130G46.5Very low49.2Very low78 Ų78159.9 Ų159.980%0.80481%0.808SS**  trans-53.2127.5163.800000109.4L128L128-G130 PolarHBondContact O-N 3.35Å
131S44Very low49Very low91 Ų91160.3 Ų160.364%0.63681%0.808SS**  trans-123.198.5157.2179.30000105.3R129 R133R129-S131 PolarHBondContact O-N 3.45Å; S131-R133 PolarHBondContact O-N 3.09Å; S131-R133 VanDerWaalsContact O-N 3.09Å
132Q48.8Very low48.6Very low189 Ų189158.7 Ų158.788%0.88381%0.811SS**  trans-51.8114.1154.9-82.2168.2-38.600107
133R42.2Very low48.1Very low200 Ų200161.7 Ų161.776%0.75582%0.819SS**  trans-11595.6154.9-82.7-170.3-166.5-166.13.4106.5S131 W135S131-R133 PolarHBondContact O-N 3.09Å; S131-R133 VanDerWaalsContact O-N 3.09Å; R133-W135 PolarHBondContact O-N 3.4Å
134T42.5Very low47.9Very low132 Ų132164.5 Ų164.581%0.8182%0.824SS**  trans-56.7121.5160.348.10000108.5
135W39.7Very low47.5Very low223 Ų223161.5 Ų161.585%0.84582%0.817SS**  trans-115.3111.9159.5-79.678.5000106.5R133R133-W135 PolarHBondContact O-N 3.4Å
136A47.3Very low47.1Very low89 Ų89163.7 Ų163.774%0.73682%0.818SS**PPolyproline II helixtrans-71.9146.8172.600000109.5
137P47Very low46.8Very low128 Ų128158.8 Ų158.883%0.83181%0.814SS**PPolyproline II helixtrans-81.6133.7173.932-30000109.9
138E41.5Very low46.6Very low192 Ų192165 Ų16590%0.89784%0.835SS**PPolyproline II helixtrans-97.9138.6172.4-152.3143.4-157.300110.2
139P60.8Low46Very low111 Ų111164.5 Ų164.572%0.72183%0.83SS**PPolyproline II helixtrans-98.4152-159.136.5-33.9000116
140R47.6Very low46.2Very low323 Ų323159.6 Ų159.6100%1.21983%0.831SS**  trans73.60164.3-82.1-167.7-81.1-152.4-3.7119.1

Retrieved 140 of 140 residues in 80.8 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).