A0A077ZK38_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 aa.

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

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
1M60Low81.7Confident245 Ų245117.4 Ų117.4100%1.20769%0.689SS**  0123.40-162.7175.9-152.200106.6
2V78Confident82.5Confident144 Ų144110 Ų11087%0.87366%0.656SS**PPolyproline II helixtrans-90124.7177.5179.30000107.4
3K80.9Confident83.4Confident188 Ų188106.2 Ų106.282%0.81765%0.645SS**PPolyproline II helixtrans-95.3119.9173.1-173.1177.7179.4-176.40107.9
4A83.6Confident84.2Confident94 Ų94105.1 Ų105.178%0.77763%0.632SS**PPolyproline II helixtrans-95138170.600000109.1
5S84.4Confident84.9Confident59 Ų59104.1 Ų104.141%0.41362%0.616SS.*  trans-124.4148.6173.1-60.40000109I43S5-I43 WeakPolarHBondContact OG-CD1 3.46Å
6T84.2Confident85.5Confident120 Ų12099.6 Ų99.674%0.73659%0.591SS**  trans-111.1127.1179.1-57.40000109.4L8T6-L8 HydrophobicContact CG2-CD2 3.96Å; T6-L8 HydrophobicContact CG2-CG 4.46Å
7M84.3Confident86.1Confident67 Ų6798.8 Ų98.833%0.3359%0.587SS.*  trans-99.4122.5174.3-74.6167.6-63.500109.3F26 W38 I43M7-F26 HydrophobicContact CE-CE1 3.89Å; M7-F26 HydrophobicContact CE-CE2 4Å; M7-F26 HydrophobicContact CE-CZ 3.16Å; M7-F26 HydrophobicContact SD-CE1 4.11Å; M7-F26 HydrophobicContact SD-CZ 3.54Å; M7-F26 VanDerWaalsContact SD-CZ 3.54Å; M7-W38 HydrophobicContact CB-CE3 3.9Å; M7-W38 HydrophobicContact CB-CH2 4.14Å; M7-W38 HydrophobicContact CB-CZ3 3.64Å; M7-W38 HydrophobicContact CG-CE3 3.98Å; M7-W38 HydrophobicContact CG-CZ3 4.09Å; M7-W38 HydrophobicContact SD-CB 4.35Å; M7-W38 HydrophobicContact SD-CD2 4.16Å; M7-W38 HydrophobicContact SD-CE3 3.71Å; M7-W38 HydrophobicContact SD-CG 4.44Å; M7-W38 HydrophobicContact SD-CZ3 4.41Å; M7-I43 HydrophobicContact CG-CB 4.5Å; M7-I43 HydrophobicContact CG-CG2 3.34Å; M7-I43 HydrophobicContact SD-CG2 3.77Å
8L84.6Confident86.7Confident152 Ų15296.1 Ų96.180%0.79657%0.569SS**  trans-104.9133.9179.1-59.3174.8000108.5T6T6-L8 HydrophobicContact CG2-CD2 3.96Å; T6-L8 HydrophobicContact CG2-CG 4.46Å
9G80.6Confident87.1Confident58 Ų5898.2 Ų98.260%0.59857%0.57SS**  trans176.4-32.9176.900000115.1
10H88.5Confident87.5Confident36 Ų3693.7 Ų93.717%0.16754%0.544CS..  trans-74.4140.1174.8-81.3-81.2000111.9I14 T28 D32 V34H10-I14 HydrophobicContact CB-CD1 4.47Å; H10-I14 HydrophobicContact CB-CG1 4.09Å; H10-T28 PolarHBondContact CD2-OG1 2.93Å; H10-T28 PolarHBondContact NE2-OG1 3.16Å; H10-D32 VanDerWaalsContact CA-OD2 3.26Å; H10-D32 WeakPolarHBondContact CA-OD2 3.48Å; H10-D32 WeakPolarHBondContact CB-OD2 3.02Å; H10-D32 IonicContact CE1-OD1 3.17Å; H10-D32 IonicContact CE1-OD2 2.84Å; H10-D32 IonicContact CG-OD2 2.79Å; H10-D32 VanDerWaalsContact ND1-CG 3.32Å; H10-D32 IonicContact ND1-OD1 3.74Å; H10-D32 PolarHBondContact ND1-OD1 2.96Å; H10-D32 IonicContact ND1-OD2 2.53Å; H10-D32 PolarHBondContact ND1-OD2 3.25Å; H10-V34 PolarHBondContact CE1-O 2.68Å
11C89.9Confident87.6Confident128 Ų12893.6 Ų93.687%0.86555%0.547SS*.SBendtrans-97.35.4174.4-65.60000112.5D32C11-D32 HydrophobicContact CB-CB 4.42Å; C11-D32 PolarHBondContact N-OD2 3.48Å
12G90.9Very high88.9Confident29 Ų2985.2 Ų85.230%0.29951%0.512SS..SBendtrans-141.7177.2178.400000112.4I14 D32G12-I14 PolarHBondContact O-N 3.47Å; G12-D32 PolarHBondContact N-OD2 3.4Å
13A94Very high89.3Confident61 Ų6182.3 Ų82.350%0.50449%0.491SS..  trans-63.3126.4175.300000110.4K15 G30 A31A13-K15 PolarHBondContact O-N 2.96Å; A13-G30 CarbonylContact O-C 3.56Å; A13-G30 WeakPolarHBondContact O-CA 3.38Å; A13-A31 HydrophobicContact CB-CB 4.44Å; A13-A31 PolarHBondContact O-N 3.28Å
14I94.4Very high89.7Confident91 Ų9177.7 Ų77.747%0.46748%0.476SS..EExtended strand (participates in β ladder)trans-70.8122.4170.2-59.6173.4000107.4H10 G12 C16 T28H10-I14 HydrophobicContact CB-CD1 4.47Å; H10-I14 HydrophobicContact CB-CG1 4.09Å; G12-I14 PolarHBondContact O-N 3.47Å; I14-C16 WeakPolarHBondContact CG2-O 3.41Å; I14-T28 HydrophobicContact CG2-CG2 4.44Å
15K94.9Very high90.2Very high90 Ų9075.9 Ų75.939%0.39145%0.45SS..EExtended strand (participates in β ladder)trans-96.2-28.3-179.9-66.9-59.9-168.972.40112.2A13 A29 E57A13-K15 PolarHBondContact O-N 2.96Å; K15-A29 PolarHBondContact N-O 2.64Å; K15-E57 IonicContact NZ-OE1 3.27Å; K15-E57 PolarHBondContact NZ-OE1 2.8Å; K15-E57 IonicContact NZ-OE2 3.06Å
16C95.1Very high90.7Very high32 Ų3273.8 Ų73.822%0.21643%0.434CS..EExtended strand (participates in β ladder)trans-147.7150.2-174.3-1690000111.5I14 T28 A29 V59I14-C16 WeakPolarHBondContact CG2-O 3.41Å; C16-T28 WeakPolarHBondContact O-CA 3.49Å; C16-A29 PolarHBondContact N-O 2.74Å; C16-A29 VanDerWaalsContact N-O 3.1Å; C16-A29 PolarHBondContact O-N 2.92Å; C16-V59 HydrophobicContact CB-CG1 4.3Å; C16-V59 PolarHBondContact SG-N 2.96Å
17V95.6Very high91.2Very high86 Ų8668.1 Ų68.152%0.52140%0.399SS..EExtended strand (participates in β ladder)trans-140.1139.1171.760.70000108.4F26 A27 T28V17-F26 HydrophobicContact CG2-CD2 3.84Å; V17-A27 CarbonylContact C-O 3.45Å; V17-A27 VanDerWaalsContact CA-O 3.24Å; V17-A27 WeakPolarHBondContact CA-O 3.02Å; V17-A27 WeakPolarHBondContact CG2-O 3.43Å; V17-T28 HydrophobicContact CB-CG2 4.39Å; V17-T28 HydrophobicContact CG2-CG2 4.08Å
18D96.3Very high91.7Very high49 Ų4965.3 Ų65.326%0.26239%0.386SS..EExtended strand (participates in β ladder)trans-141.1142174.3-165.926.8000110.4F26 A27 S60 F61D18-F26 CarbonylContact O-C 3.59Å; D18-F26 VanDerWaalsContact O-CA 3.24Å; D18-F26 WeakPolarHBondContact O-CA 3.33Å; D18-F26 VanDerWaalsContact O-CB 3.24Å; D18-F26 WeakPolarHBondContact O-CB 3.35Å; D18-A27 PolarHBondContact N-O 2.84Å; D18-A27 PolarHBondContact O-N 2.86Å; D18-S60 WeakPolarHBondContact OD2-CA 3.03Å; D18-S60 PolarHBondContact OD2-OG 2.88Å; D18-F61 HydrophobicContact CB-CD2 4.29Å; D18-F61 WeakPolarHBondContact O-CE2 3.43Å; D18-F61 PolarHBondContact OD2-N 2.59Å
19F95.3Very high92.2Very high136 Ų13658.1 Ų58.160%0.59635%0.348SS*.EExtended strand (participates in β ladder)trans-88.1141.7176.8-83.3-83.1000110.3P21 F26F19-P21 WeakPolarHBondContact O-CD 3.31Å; F19-F26 HydrophobicContact CD1-CB 3.66Å; F19-F26 HydrophobicContact CD1-CG 4.43Å; F19-F26 HydrophobicContact CE1-CB 3.92Å; F19-F26 HydrophobicContact CE1-CD1 4.06Å; F19-F26 HydrophobicContact CE1-CG 4.2Å; F19-F26 HydrophobicContact CG-CB 4.09Å
20D93.6Very high92.9Very high9 Ų955.3 Ų55.35%0.04832%0.319CS..  trans-69.2122.3166.7-174.7-19.3000108S22 D23 K25 F61 G65D20-S22 PolarHBondContact O-N 3.3Å; D20-S22 WeakPolarHBondContact OD1-CB 3.44Å; D20-S22 PolarHBondContact OD1-N 3.33Å; D20-S22 PolarHBondContact OD1-OG 3.46Å; D20-D23 VanDerWaalsContact O-O 3.1Å; D20-K25 HydrophobicContact CB-CB 4.04Å; D20-K25 WeakPolarHBondContact CB-O 3.46Å; D20-K25 PolarHBondContact N-O 3.46Å; D20-F61 HydrophobicContact CB-CD1 3.92Å; D20-F61 HydrophobicContact CB-CD2 4.23Å; D20-F61 HydrophobicContact CB-CE1 3.79Å; D20-F61 HydrophobicContact CB-CE2 4.11Å; D20-F61 HydrophobicContact CB-CG 4.13Å; D20-F61 HydrophobicContact CB-CZ 3.91Å; D20-G65 VanDerWaalsContact OD1-CA 3.25Å; D20-G65 WeakPolarHBondContact OD1-CA 3.28Å; D20-G65 WeakPolarHBondContact OD2-CA 3.08Å
21P91.1Very high93.1Very high92 Ų9255.2 Ų55.260%0.59733%0.325SS*.SBendtrans-72.2-14.4178.828.6-34.1000113.3F19F19-P21 WeakPolarHBondContact O-CD 3.31Å
22S86.7Confident93.2Very high68 Ų6851.2 Ų51.248%0.47630%0.295SS..SBendtrans-103.3-18.4-171.673.20000114.7D20 D64 G65D20-S22 PolarHBondContact O-N 3.3Å; D20-S22 WeakPolarHBondContact OD1-CB 3.44Å; D20-S22 PolarHBondContact OD1-N 3.33Å; D20-S22 PolarHBondContact OD1-OG 3.46Å; S22-D64 VanDerWaalsContact OG-C 3.31Å; S22-D64 PolarHBondContact OG-O 2.88Å; S22-G65 WeakPolarHBondContact OG-CA 3.25Å; S22-G65 PolarHBondContact OG-N 3.15Å
23D85.3Confident93.3Very high83 Ų8349.9 Ų49.944%0.44428%0.281SS..SBendtrans-150.4168.8-174.2-158.3-5000110.9D20 K25D20-D23 VanDerWaalsContact O-O 3.1Å; D23-K25 PolarHBondContact O-N 3.19Å; D23-K25 IonicContact OD2-NZ 3.73Å; D23-K25 PolarHBondContact OD2-NZ 3.03Å
24D89.7Confident93.3Very high91 Ų9148.4 Ų48.449%0.48727%0.266SS..SBendtrans-78.347.3179.8-68.1-35.9000112.1A40 N41D24-A40 VanDerWaalsContact O-CB 3.32Å; D24-A40 WeakPolarHBondContact O-CB 3.29Å; D24-A40 PolarHBondContact O-N 2.78Å; D24-N41 VanDerWaalsContact CB-ND2 3.25Å; D24-N41 WeakPolarHBondContact CB-ND2 3.4Å; D24-N41 VanDerWaalsContact CG-ND2 3.35Å; D24-N41 PolarHBondContact OD2-ND2 3.41Å
25K93.8Very high93.3Very high56 Ų5644.1 Ų44.124%0.24324%0.244CC..EExtended strand (participates in β ladder)trans-117.9160.5177-58.4-167-162.174.30111.9D20 D23 I37 W38D20-K25 HydrophobicContact CB-CB 4.04Å; D20-K25 WeakPolarHBondContact CB-O 3.46Å; D20-K25 PolarHBondContact N-O 3.46Å; D23-K25 PolarHBondContact O-N 3.19Å; D23-K25 IonicContact OD2-NZ 3.73Å; D23-K25 PolarHBondContact OD2-NZ 3.03Å; K25-I37 HydrophobicContact CD-CG2 4.06Å; K25-W38 WeakPolarHBondContact CA-O 3.13Å; K25-W38 WeakPolarHBondContact CB-O 3.37Å
26F95.3Very high93.2Very high16 Ų1639.9 Ų39.97%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-146.6160.2166.666-84.5000109.8M7 V17 D18 F19 T28 W38 A40M7-F26 HydrophobicContact CE-CE1 3.89Å; M7-F26 HydrophobicContact CE-CE2 4Å; M7-F26 HydrophobicContact CE-CZ 3.16Å; M7-F26 HydrophobicContact SD-CE1 4.11Å; M7-F26 HydrophobicContact SD-CZ 3.54Å; M7-F26 VanDerWaalsContact SD-CZ 3.54Å; V17-F26 HydrophobicContact CG2-CD2 3.84Å; D18-F26 CarbonylContact O-C 3.59Å; D18-F26 VanDerWaalsContact O-CA 3.24Å; D18-F26 WeakPolarHBondContact O-CA 3.33Å; D18-F26 VanDerWaalsContact O-CB 3.24Å; D18-F26 WeakPolarHBondContact O-CB 3.35Å; F19-F26 HydrophobicContact CD1-CB 3.66Å; F19-F26 HydrophobicContact CD1-CG 4.43Å; F19-F26 HydrophobicContact CE1-CB 3.92Å; F19-F26 HydrophobicContact CE1-CD1 4.06Å; F19-F26 HydrophobicContact CE1-CG 4.2Å; F19-F26 HydrophobicContact CG-CB 4.09Å; F26-T28 HydrophobicContact CD2-CG2 4.01Å; F26-T28 HydrophobicContact CE2-CG2 3.78Å; F26-W38 HydrophobicContact CD1-CB 4.04Å; F26-W38 HydrophobicContact CD2-CB 4.23Å; F26-W38 AromaticContact CD2-CD1 3.92Å; F26-W38 HydrophobicContact CD2-CG 4.32Å; F26-W38 HydrophobicContact CE1-CB 3.4Å; F26-W38 VanDerWaalsContact CE1-CB 3.4Å; F26-W38 HydrophobicContact CE1-CG 4.2Å; F26-W38 HydrophobicContact CE2-CB 3.64Å; F26-W38 AromaticContact CE2-CD1 3.36Å; F26-W38 HydrophobicContact CE2-CD2 4.43Å; F26-W38 AromaticContact CE2-CG 3.54Å; F26-W38 HydrophobicContact CE2-CG 3.54Å; F26-W38 HydrophobicContact CG-CB 4.37Å; F26-W38 HydrophobicContact CZ-CB 3.12Å; F26-W38 AromaticContact CZ-CD1 3.77Å; F26-W38 HydrophobicContact CZ-CD2 4.24Å; F26-W38 AromaticContact CZ-CG 3.42Å; F26-W38 HydrophobicContact CZ-CG 3.42Å; F26-W38 VanDerWaalsContact CZ-CG 3.42Å; F26-W38 PolarHBondContact N-O 2.85Å; F26-W38 VanDerWaalsContact N-O 3.13Å; F26-W38 PolarHBondContact O-N 2.99Å; F26-A40 HydrophobicContact CD1-CB 4.04Å; F26-A40 HydrophobicContact CE1-CB 4.15Å
27A95.3Very high93.2Very high0 Ų038.4 Ų38.40%022%0.216CC..EExtended strand (participates in β ladder)trans-114.5142.2-17800000108.3V17 D18 I35 G36 I37 V59 F61V17-A27 CarbonylContact C-O 3.45Å; V17-A27 VanDerWaalsContact CA-O 3.24Å; V17-A27 WeakPolarHBondContact CA-O 3.02Å; V17-A27 WeakPolarHBondContact CG2-O 3.43Å; D18-A27 PolarHBondContact N-O 2.84Å; D18-A27 PolarHBondContact O-N 2.86Å; A27-I35 HydrophobicContact CB-CG2 4.28Å; A27-G36 CarbonylContact C-O 3.49Å; A27-G36 VanDerWaalsContact CA-O 3.23Å; A27-G36 WeakPolarHBondContact CA-O 3.35Å; A27-I37 HydrophobicContact CB-CD1 3.77Å; A27-V59 HydrophobicContact CB-CG1 4.16Å; A27-V59 HydrophobicContact CB-CG2 4Å; A27-F61 HydrophobicContact CB-CD2 4.16Å; A27-F61 HydrophobicContact CB-CE2 3.3Å; A27-F61 HydrophobicContact CB-CZ 3.67Å; A27-F61 VanDerWaalsContact N-CE2 3.3Å
28T95.8Very high93.2Very high9 Ų934.9 Ų34.96%0.05519%0.193CC..EExtended strand (participates in β ladder)trans-123.7144.8170.755.40000108.8H10 I14 C16 V17 F26 I35 G36 W38H10-T28 PolarHBondContact CD2-OG1 2.93Å; H10-T28 PolarHBondContact NE2-OG1 3.16Å; I14-T28 HydrophobicContact CG2-CG2 4.44Å; C16-T28 WeakPolarHBondContact O-CA 3.49Å; V17-T28 HydrophobicContact CB-CG2 4.39Å; V17-T28 HydrophobicContact CG2-CG2 4.08Å; F26-T28 HydrophobicContact CD2-CG2 4.01Å; F26-T28 HydrophobicContact CE2-CG2 3.78Å; T28-I35 CarbonylContact O-C 3.51Å; T28-I35 WeakPolarHBondContact O-CA 3.27Å; T28-G36 PolarHBondContact N-O 2.9Å; T28-G36 PolarHBondContact O-N 3.19Å; T28-W38 PolarHBondContact OG1-NE1 2.52Å
29A95.1Very high93Very high0 Ų034.2 Ų34.20%019%0.19CC..EExtended strand (participates in β ladder)trans-141.2150.5175.200000110.8K15 C16 V34 I35 I56 V59K15-A29 PolarHBondContact N-O 2.64Å; C16-A29 PolarHBondContact N-O 2.74Å; C16-A29 VanDerWaalsContact N-O 3.1Å; C16-A29 PolarHBondContact O-N 2.92Å; A29-V34 WeakPolarHBondContact CA-O 3.49Å; A29-I35 HydrophobicContact CB-CG1 4.23Å; A29-I56 HydrophobicContact CB-CB 3.93Å; A29-I56 HydrophobicContact CB-CG2 3.54Å; A29-V59 HydrophobicContact CB-CB 3.92Å; A29-V59 HydrophobicContact CB-CG1 3.9Å
30G93.8Very high92.7Very high0 Ų029.7 Ų29.70%018%0.177CC..EExtended strand (participates in β ladder)trans-163.1-167.4-172.300000117.2A13 D32 G33 I56A13-G30 CarbonylContact O-C 3.56Å; A13-G30 WeakPolarHBondContact O-CA 3.38Å; G30-D32 PolarHBondContact O-N 3.26Å; G30-G33 PolarHBondContact O-N 3.32Å; G30-G33 VanDerWaalsContact O-N 3.15Å; G30-I56 PolarHBondContact O-N 3.34Å
31A93.9Very high92.5Very high33 Ų3334.1 Ų34.127%0.27320%0.201SC..THydrogen-bonded Turntrans-68.3-10.6-174.600000114.2A13 G33 Q55A13-A31 HydrophobicContact CB-CB 4.44Å; A13-A31 PolarHBondContact O-N 3.28Å; A31-G33 VanDerWaalsContact C-N 3.32Å; A31-Q55 HydrophobicContact CB-CG 4.21Å
32D91.8Very high92.3Very high44 Ų4435.9 Ų35.924%0.23520%0.201CC..THydrogen-bonded Turntrans-85.6-1.2174.254.62.8000113.6H10 C11 G12 G30 V34H10-D32 VanDerWaalsContact CA-OD2 3.26Å; H10-D32 WeakPolarHBondContact CA-OD2 3.48Å; H10-D32 WeakPolarHBondContact CB-OD2 3.02Å; H10-D32 IonicContact CE1-OD1 3.17Å; H10-D32 IonicContact CE1-OD2 2.84Å; H10-D32 IonicContact CG-OD2 2.79Å; H10-D32 VanDerWaalsContact ND1-CG 3.32Å; H10-D32 IonicContact ND1-OD1 3.74Å; H10-D32 PolarHBondContact ND1-OD1 2.96Å; H10-D32 IonicContact ND1-OD2 2.53Å; H10-D32 PolarHBondContact ND1-OD2 3.25Å; C11-D32 HydrophobicContact CB-CB 4.42Å; C11-D32 PolarHBondContact N-OD2 3.48Å; G12-D32 PolarHBondContact N-OD2 3.4Å; G30-D32 PolarHBondContact O-N 3.26Å; D32-V34 VanDerWaalsContact C-N 3.26Å; D32-V34 HydrophobicContact CB-CG2 4.41Å; D32-V34 PolarHBondContact O-N 2.89Å; D32-V34 PolarHBondContact OD1-N 3.04Å
33G92.6Very high92.4Very high2 Ų235.9 Ų35.92%0.02120%0.195CC..SBendtrans76.414.8179.200000113.7G30 A31 D54 I56G30-G33 PolarHBondContact O-N 3.32Å; G30-G33 VanDerWaalsContact O-N 3.15Å; A31-G33 VanDerWaalsContact C-N 3.32Å; G33-D54 VanDerWaalsContact CA-O 3.29Å; G33-D54 WeakPolarHBondContact CA-O 3.25Å; G33-I56 WeakPolarHBondContact O-CD1 3.26Å
34V93Very high92.6Very high30 Ų3036.2 Ų36.218%0.18220%0.196CC..EExtended strand (participates in β ladder)trans-110.9142.7-173.41770000110.7H10 A29 D32 T48H10-V34 PolarHBondContact CE1-O 2.68Å; A29-V34 WeakPolarHBondContact CA-O 3.49Å; D32-V34 VanDerWaalsContact C-N 3.26Å; D32-V34 HydrophobicContact CB-CG2 4.41Å; D32-V34 PolarHBondContact O-N 2.89Å; D32-V34 PolarHBondContact OD1-N 3.04Å; V34-T48 HydrophobicContact CG1-CG2 3.26Å
35I94.6Very high92.7Very high0 Ų034.6 Ų34.60%019%0.191CC..EExtended strand (participates in β ladder)trans-106.4116.9162.8-50.8173.4000108.4A27 T28 A29 I37 L49 I56 V59 V68A27-I35 HydrophobicContact CB-CG2 4.28Å; T28-I35 CarbonylContact O-C 3.51Å; T28-I35 WeakPolarHBondContact O-CA 3.27Å; A29-I35 HydrophobicContact CB-CG1 4.23Å; I35-I37 HydrophobicContact CG2-CD1 3.98Å; I35-L49 HydrophobicContact CB-CB 4.17Å; I35-L49 PolarHBondContact N-O 2.71Å; I35-L49 PolarHBondContact O-N 2.85Å; I35-I56 HydrophobicContact CD1-CD1 4.16Å; I35-I56 HydrophobicContact CG1-CD1 3.5Å; I35-I56 VanDerWaalsContact CG1-CD1 3.5Å; I35-V59 HydrophobicContact CD1-CG2 4.41Å; I35-V59 HydrophobicContact CG2-CG2 4.09Å; I35-V68 HydrophobicContact CD1-CG2 4.45Å
36G94.3Very high92.5Very high2 Ų235 Ų352%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-91.9130.3171.100000110.2A27 T28 W38A27-G36 CarbonylContact C-O 3.49Å; A27-G36 VanDerWaalsContact CA-O 3.23Å; A27-G36 WeakPolarHBondContact CA-O 3.35Å; T28-G36 PolarHBondContact N-O 2.9Å; T28-G36 PolarHBondContact O-N 3.19Å; G36-W38 VanDerWaalsContact O-CD1 3.29Å; G36-W38 PolarHBondContact O-NE1 3.29Å
37I94.8Very high92.3Very high0 Ų037.2 Ų37.20%021%0.21CC..EExtended strand (participates in β ladder)trans-106.7122.1171.3-51.7-60.9000108.1K25 A27 I35 S46 K47 L49 F61 V68 I82K25-I37 HydrophobicContact CD-CG2 4.06Å; A27-I37 HydrophobicContact CB-CD1 3.77Å; I35-I37 HydrophobicContact CG2-CD1 3.98Å; I37-S46 PolarHBondContact O-N 2.98Å; I37-S46 PolarHBondContact O-OG 2.82Å; I37-K47 HydrophobicContact CB-CB 4.18Å; I37-K47 HydrophobicContact CG1-CB 4.43Å; I37-K47 PolarHBondContact N-O 2.83Å; I37-K47 PolarHBondContact O-N 3.3Å; I37-K47 VanDerWaalsContact O-N 3.16Å; I37-L49 HydrophobicContact CD1-CD1 4.38Å; I37-L49 HydrophobicContact CG1-CD1 4.24Å; I37-F61 HydrophobicContact CD1-CZ 4.28Å; I37-V68 HydrophobicContact CD1-CG1 4.36Å; I37-I82 HydrophobicContact CG1-CG2 4.22Å; I37-I82 HydrophobicContact CG2-CG2 4.35Å
38W94.6Very high92.2Very high12 Ų1241 Ų415%0.04523%0.233CC..EExtended strand (participates in β ladder)trans-119.1143.7-169.3-55.586.8000111M7 K25 F26 T28 G36 I44 C45M7-W38 HydrophobicContact CB-CE3 3.9Å; M7-W38 HydrophobicContact CB-CH2 4.14Å; M7-W38 HydrophobicContact CB-CZ3 3.64Å; M7-W38 HydrophobicContact CG-CE3 3.98Å; M7-W38 HydrophobicContact CG-CZ3 4.09Å; M7-W38 HydrophobicContact SD-CB 4.35Å; M7-W38 HydrophobicContact SD-CD2 4.16Å; M7-W38 HydrophobicContact SD-CE3 3.71Å; M7-W38 HydrophobicContact SD-CG 4.44Å; M7-W38 HydrophobicContact SD-CZ3 4.41Å; K25-W38 WeakPolarHBondContact CA-O 3.13Å; K25-W38 WeakPolarHBondContact CB-O 3.37Å; F26-W38 HydrophobicContact CD1-CB 4.04Å; F26-W38 HydrophobicContact CD2-CB 4.23Å; F26-W38 AromaticContact CD2-CD1 3.92Å; F26-W38 HydrophobicContact CD2-CG 4.32Å; F26-W38 HydrophobicContact CE1-CB 3.4Å; F26-W38 VanDerWaalsContact CE1-CB 3.4Å; F26-W38 HydrophobicContact CE1-CG 4.2Å; F26-W38 HydrophobicContact CE2-CB 3.64Å; F26-W38 AromaticContact CE2-CD1 3.36Å; F26-W38 HydrophobicContact CE2-CD2 4.43Å; F26-W38 AromaticContact CE2-CG 3.54Å; F26-W38 HydrophobicContact CE2-CG 3.54Å; F26-W38 HydrophobicContact CG-CB 4.37Å; F26-W38 HydrophobicContact CZ-CB 3.12Å; F26-W38 AromaticContact CZ-CD1 3.77Å; F26-W38 HydrophobicContact CZ-CD2 4.24Å; F26-W38 AromaticContact CZ-CG 3.42Å; F26-W38 HydrophobicContact CZ-CG 3.42Å; F26-W38 VanDerWaalsContact CZ-CG 3.42Å; F26-W38 PolarHBondContact N-O 2.85Å; F26-W38 VanDerWaalsContact N-O 3.13Å; F26-W38 PolarHBondContact O-N 2.99Å; T28-W38 PolarHBondContact OG1-NE1 2.52Å; G36-W38 VanDerWaalsContact O-CD1 3.29Å; G36-W38 PolarHBondContact O-NE1 3.29Å; W38-I44 WeakPolarHBondContact CA-O 3.28Å; W38-C45 HydrophobicContact CD2-CB 4.25Å; W38-C45 VanDerWaalsContact CE3-CA 3.48Å; W38-C45 HydrophobicContact CE3-CB 3.68Å; W38-C45 HydrophobicContact CH2-CB 3.83Å; W38-C45 HydrophobicContact CZ2-CB 4.39Å; W38-C45 HydrophobicContact CZ3-CB 3.44Å; W38-C45 VanDerWaalsContact CZ3-CB 3.44Å
39D92.5Very high91.8Very high36 Ų3640.8 Ų40.819%0.19323%0.232CC..EExtended strand (participates in β ladder)trans-88.3117166.3-179.6-41.3000108.3N41 H42 I43 I44D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.46Å; D39-N41 WeakPolarHBondContact OD1-CA 3.45Å; D39-N41 WeakPolarHBondContact OD1-CB 3.38Å; D39-N41 PolarHBondContact OD1-N 3.08Å; D39-H42 HydrophobicContact CB-CB 4.47Å; D39-H42 VanDerWaalsContact CG-ND1 3.26Å; D39-H42 IonicContact OD1-CG 3.42Å; D39-H42 PolarHBondContact OD1-N 2.91Å; D39-H42 IonicContact OD1-ND1 3.96Å; D39-H42 PolarHBondContact OD1-ND1 2.98Å; D39-H42 IonicContact OD2-CE1 3.72Å; D39-H42 IonicContact OD2-CG 2.8Å; D39-H42 IonicContact OD2-ND1 2.7Å; D39-H42 PolarHBondContact OD2-ND1 3.02Å; D39-I43 WeakPolarHBondContact O-CA 3.16Å; D39-I43 PolarHBondContact O-N 3.05Å; D39-I44 HydrophobicContact CB-CG1 3.89Å; D39-I44 PolarHBondContact N-O 2.95Å; D39-I44 PolarHBondContact O-N 2.89Å
40A89.1Confident91.1Very high40 Ų4044.9 Ų44.933%0.33126%0.26SS..THydrogen-bonded Turntrans-70.6-28.3-176.100000113D24 F26D24-A40 VanDerWaalsContact O-CB 3.32Å; D24-A40 WeakPolarHBondContact O-CB 3.29Å; D24-A40 PolarHBondContact O-N 2.78Å; F26-A40 HydrophobicContact CD1-CB 4.04Å; F26-A40 HydrophobicContact CE1-CB 4.15Å
41N89.1Confident89.9Confident103 Ų10349.8 Ų49.855%0.55128%0.278SS*.THydrogen-bonded Turntrans-78.6-43.4-177.7-70.5-37.9000111.6D24 D39D24-N41 VanDerWaalsContact CB-ND2 3.25Å; D24-N41 WeakPolarHBondContact CB-ND2 3.4Å; D24-N41 VanDerWaalsContact CG-ND2 3.35Å; D24-N41 PolarHBondContact OD2-ND2 3.41Å; D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.46Å; D39-N41 WeakPolarHBondContact OD1-CA 3.45Å; D39-N41 WeakPolarHBondContact OD1-CB 3.38Å; D39-N41 PolarHBondContact OD1-N 3.08Å
42H88.3Confident88.8Confident129 Ų12949.2 Ų49.260%0.59727%0.27SS*.THydrogen-bonded Turntrans-93.7-12.4-176.5-5999.6000113.1D39 I44D39-H42 HydrophobicContact CB-CB 4.47Å; D39-H42 VanDerWaalsContact CG-ND1 3.26Å; D39-H42 IonicContact OD1-CG 3.42Å; D39-H42 PolarHBondContact OD1-N 2.91Å; D39-H42 IonicContact OD1-ND1 3.96Å; D39-H42 PolarHBondContact OD1-ND1 2.98Å; D39-H42 IonicContact OD2-CE1 3.72Å; D39-H42 IonicContact OD2-CG 2.8Å; D39-H42 IonicContact OD2-ND1 2.7Å; D39-H42 PolarHBondContact OD2-ND1 3.02Å; H42-I44 VanDerWaalsContact C-N 3.31Å; H42-I44 HydrophobicContact CB-CD1 4.02Å; H42-I44 HydrophobicContact CB-CG1 3.91Å; H42-I44 HydrophobicContact CB-CG2 4.45Å; H42-I44 PolarHBondContact O-N 2.81Å
43I87.7Confident88.3Confident67 Ų6757.2 Ų57.234%0.34430%0.302SS..THydrogen-bonded Turntrans61.943.6176.3-41.9-174.4000110.2S5 M7 D39S5-I43 WeakPolarHBondContact OG-CD1 3.46Å; M7-I43 HydrophobicContact CG-CB 4.5Å; M7-I43 HydrophobicContact CG-CG2 3.34Å; M7-I43 HydrophobicContact SD-CG2 3.77Å; D39-I43 WeakPolarHBondContact O-CA 3.16Å; D39-I43 PolarHBondContact O-N 3.05Å
44I90.4Very high88.1Confident91 Ų9160 Ų6047%0.46732%0.317SS..EExtended strand (participates in β ladder)trans-125.6146.4-178.161.1176.7000111W38 D39 H42 S46W38-I44 WeakPolarHBondContact CA-O 3.28Å; D39-I44 HydrophobicContact CB-CG1 3.89Å; D39-I44 PolarHBondContact N-O 2.95Å; D39-I44 PolarHBondContact O-N 2.89Å; H42-I44 VanDerWaalsContact C-N 3.31Å; H42-I44 HydrophobicContact CB-CD1 4.02Å; H42-I44 HydrophobicContact CB-CG1 3.91Å; H42-I44 HydrophobicContact CB-CG2 4.45Å; H42-I44 PolarHBondContact O-N 2.81Å; I44-S46 PolarHBondContact O-N 3.36Å
45C91.2Very high88Confident56 Ų5662 Ų6238%0.37832%0.324SS..EExtended strand (participates in β ladder)trans-74.9108.2167.6-1640000108.1W38 K47W38-C45 HydrophobicContact CD2-CB 4.25Å; W38-C45 VanDerWaalsContact CE3-CA 3.48Å; W38-C45 HydrophobicContact CE3-CB 3.68Å; W38-C45 HydrophobicContact CH2-CB 3.83Å; W38-C45 HydrophobicContact CZ2-CB 4.39Å; W38-C45 HydrophobicContact CZ3-CB 3.44Å; W38-C45 VanDerWaalsContact CZ3-CB 3.44Å; C45-K47 PolarHBondContact SG-O 2.7Å
46S90.4Very high88.1Confident64 Ų6462 Ų6245%0.44832%0.324SS..EExtended strand (participates in β ladder)trans-77.3-33.1179.167.60000112I37 I44I37-S46 PolarHBondContact O-N 2.98Å; I37-S46 PolarHBondContact O-OG 2.82Å; I44-S46 PolarHBondContact O-N 3.36Å
47K90.8Very high88.1Confident63 Ų6364 Ų6427%0.27433%0.333SS..EExtended strand (participates in β ladder)trans-157.2150.4-179.2-160.9165.4-175.1-179.10111.7I37 C45 L49 I82 K83 G85I37-K47 HydrophobicContact CB-CB 4.18Å; I37-K47 HydrophobicContact CG1-CB 4.43Å; I37-K47 PolarHBondContact N-O 2.83Å; I37-K47 PolarHBondContact O-N 3.3Å; I37-K47 VanDerWaalsContact O-N 3.16Å; C45-K47 PolarHBondContact SG-O 2.7Å; K47-L49 HydrophobicContact CD-CD2 4.09Å; K47-L49 HydrophobicContact CG-CD2 4.2Å; K47-I82 VanDerWaalsContact CD-O 3.31Å; K47-I82 WeakPolarHBondContact CD-O 3.21Å; K47-I82 WeakPolarHBondContact CE-O 3.38Å; K47-I82 PolarHBondContact NZ-O 3.19Å; K47-K83 PolarHBondContact NZ-O 3.2Å; K47-G85 VanDerWaalsContact NZ-N 3.18Å
48T91.6Very high88.1Confident79 Ų7964 Ų6449%0.48533%0.333SS..EExtended strand (participates in β ladder)trans-121.3128.1173.3-50.50000108.5V34V34-T48 HydrophobicContact CG1-CG2 3.26Å
49L88.8Confident88.1Confident5 Ų563.7 Ų63.73%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-113.4120.1177.1-50.2171000108.4I35 I37 K47 V68 T80I35-L49 HydrophobicContact CB-CB 4.17Å; I35-L49 PolarHBondContact N-O 2.71Å; I35-L49 PolarHBondContact O-N 2.85Å; I37-L49 HydrophobicContact CD1-CD1 4.38Å; I37-L49 HydrophobicContact CG1-CD1 4.24Å; K47-L49 HydrophobicContact CD-CD2 4.09Å; K47-L49 HydrophobicContact CG-CD2 4.2Å; L49-V68 HydrophobicContact CD1-CG2 4.03Å; L49-T80 HydrophobicContact CD1-CG2 3.91Å; L49-T80 HydrophobicContact CD2-CG2 4.37Å
50C79.3Confident88.3Confident87 Ų8762.7 Ų62.759%0.58833%0.328SS*.EExtended strand (participates in β ladder)trans-12096.3-175.5-59.80000109.5
51W68.7Low88.6Confident103 Ų10361 Ų6139%0.3931%0.314SS..  trans-113.5-43.8-176-59123.2000112.8T80 G85W51-T80 HydrophobicContact CZ2-CG2 3.93Å; W51-T80 PolarHBondContact NE1-OG1 3.4Å; W51-G85 WeakPolarHBondContact CH2-O 3.35Å; W51-G85 VanDerWaalsContact CZ2-C 3.44Å; W51-G85 WeakPolarHBondContact CZ2-O 3.24Å
52F71.5Confident88.8Confident20 Ų2056.1 Ų56.19%0.08829%0.288CS..  trans-97.9134.7-172.5-60.7-66.9000110I56 S70 T72 K76 D78F52-I56 HydrophobicContact CB-CG1 4.27Å; F52-I56 HydrophobicContact CD2-CD1 3.8Å; F52-I56 HydrophobicContact CD2-CG1 3.73Å; F52-I56 HydrophobicContact CG-CG1 4.44Å; F52-S70 WeakPolarHBondContact CE2-OG 3.37Å; F52-T72 HydrophobicContact CB-CG2 3.73Å; F52-T72 HydrophobicContact CD1-CG2 3.32Å; F52-T72 HydrophobicContact CD2-CG2 3.57Å; F52-T72 HydrophobicContact CE1-CG2 3.65Å; F52-T72 HydrophobicContact CE2-CG2 3.86Å; F52-T72 HydrophobicContact CG-CG2 3.24Å; F52-T72 HydrophobicContact CZ-CG2 3.87Å; F52-K76 HydrophobicContact CD1-CD 4.44Å; F52-K76 HydrophobicContact CE1-CB 3.89Å; F52-K76 HydrophobicContact CE1-CD 4.09Å; F52-K76 HydrophobicContact CZ-CB 4.44Å; F52-D78 HydrophobicContact CE1-CB 4.25Å; F52-D78 HydrophobicContact CE2-CB 3.8Å; F52-D78 HydrophobicContact CZ-CB 3.31Å
53K81.6Confident88.9Confident213 Ų21352.5 Ų52.593%0.92627%0.271SS*.SBendtrans-76.8-10.1161.9-66-173.3179-177.80111.8
54D87.5Confident89.1Confident60 Ų6050.9 Ų50.932%0.32126%0.263SS..SBendtrans-101.4166.4-176.9-55.4-41000110.7G33 I56 T72 T74G33-D54 VanDerWaalsContact CA-O 3.29Å; G33-D54 WeakPolarHBondContact CA-O 3.25Å; D54-I56 PolarHBondContact O-N 3.45Å; D54-T72 HydrophobicContact CB-CG2 4.24Å; D54-T74 HydrophobicContact CB-CG2 3.92Å; D54-T74 VanDerWaalsContact CG-CG2 3.41Å; D54-T74 WeakPolarHBondContact OD2-CB 3.37Å; D54-T74 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T74 PolarHBondContact OD2-OG1 2.94Å
55Q92.2Very high89.2Confident73 Ų7347.1 Ų47.134%0.34125%0.246SC..PPolyproline II helixtrans-68.4132.2179.4-57.5-169.69.100110.2A31 T72 D73A31-Q55 HydrophobicContact CB-CG 4.21Å; Q55-T72 VanDerWaalsContact O-CA 3.25Å; Q55-T72 WeakPolarHBondContact O-CA 3.22Å; Q55-T72 WeakPolarHBondContact O-CB 3.25Å; Q55-D73 PolarHBondContact O-N 2.88Å
56I95Very high89.3Confident0 Ų048.8 Ų48.80%025%0.247CC..EExtended strand (participates in β ladder)trans-88.5117.8172.1-53.3177.5000107.6A29 G30 G33 I35 F52 D54 G58A29-I56 HydrophobicContact CB-CB 3.93Å; A29-I56 HydrophobicContact CB-CG2 3.54Å; G30-I56 PolarHBondContact O-N 3.34Å; G33-I56 WeakPolarHBondContact O-CD1 3.26Å; I35-I56 HydrophobicContact CD1-CD1 4.16Å; I35-I56 HydrophobicContact CG1-CD1 3.5Å; I35-I56 VanDerWaalsContact CG1-CD1 3.5Å; F52-I56 HydrophobicContact CB-CG1 4.27Å; F52-I56 HydrophobicContact CD2-CD1 3.8Å; F52-I56 HydrophobicContact CD2-CG1 3.73Å; F52-I56 HydrophobicContact CG-CG1 4.44Å; D54-I56 PolarHBondContact O-N 3.45Å; I56-G58 WeakPolarHBondContact CG2-O 3.35Å
57E94.6Very high89.4Confident43 Ų4345.7 Ų45.720%0.20123%0.226CC..EExtended strand (participates in β ladder)trans-91.5-23.5-175.8-71.9-66.7124.300112K15 Y71 D73K15-E57 IonicContact NZ-OE1 3.27Å; K15-E57 PolarHBondContact NZ-OE1 2.8Å; K15-E57 IonicContact NZ-OE2 3.06Å; E57-Y71 HydrophobicContact CB-CD2 3.9Å; E57-Y71 HydrophobicContact CB-CE2 3.41Å; E57-Y71 VanDerWaalsContact CB-CE2 3.41Å; E57-Y71 PolarHBondContact N-O 2.9Å; E57-D73 HydrophobicContact CG-CB 4.04Å
58G94.5Very high89.6Confident1 Ų142.7 Ų42.71%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-157.6156.717400000114I56 S70 Y71I56-G58 WeakPolarHBondContact CG2-O 3.35Å; G58-S70 VanDerWaalsContact O-CA 3.25Å; G58-S70 WeakPolarHBondContact O-CA 3.25Å; G58-Y71 PolarHBondContact O-N 2.82Å; G58-Y71 VanDerWaalsContact O-N 3.08Å
59V95.5Very high89.7Confident5 Ų539 Ų393%0.0319%0.19CC..EExtended strand (participates in β ladder)trans-138.1146.4175.9640000108.7C16 A27 A29 I35 V68 A69C16-V59 HydrophobicContact CB-CG1 4.3Å; C16-V59 PolarHBondContact SG-N 2.96Å; A27-V59 HydrophobicContact CB-CG1 4.16Å; A27-V59 HydrophobicContact CB-CG2 4Å; A29-V59 HydrophobicContact CB-CB 3.92Å; A29-V59 HydrophobicContact CB-CG1 3.9Å; I35-V59 HydrophobicContact CD1-CG2 4.41Å; I35-V59 HydrophobicContact CG2-CG2 4.09Å; V59-V68 HydrophobicContact CG2-CB 4.07Å; V59-V68 HydrophobicContact CG2-CG1 4.31Å; V59-A69 CarbonylContact C-O 3.54Å; V59-A69 VanDerWaalsContact CA-O 3.25Å; V59-A69 WeakPolarHBondContact CA-O 3.35Å
60S95.6Very high90Very high14 Ų1438.7 Ų38.710%0.09819%0.188CC..EExtended strand (participates in β ladder)trans-148.9138.7172.5-173.50000112.2D18 V68 A69 W102D18-S60 WeakPolarHBondContact OD2-CA 3.03Å; D18-S60 PolarHBondContact OD2-OG 2.88Å; S60-V68 CarbonylContact O-C 3.52Å; S60-V68 WeakPolarHBondContact O-CA 3.41Å; S60-A69 PolarHBondContact N-O 2.77Å; S60-A69 PolarHBondContact O-N 3.29Å; S60-W102 VanDerWaalsContact O-CD1 3.24Å; S60-W102 PolarHBondContact O-NE1 3.13Å
61F95.5Very high90.7Very high6 Ų635.6 Ų35.63%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-79.7143.9177.1-83.2-87.3000113.1D18 D20 A27 I37 V68 I82 W102D18-F61 HydrophobicContact CB-CD2 4.29Å; D18-F61 WeakPolarHBondContact O-CE2 3.43Å; D18-F61 PolarHBondContact OD2-N 2.59Å; D20-F61 HydrophobicContact CB-CD1 3.92Å; D20-F61 HydrophobicContact CB-CD2 4.23Å; D20-F61 HydrophobicContact CB-CE1 3.79Å; D20-F61 HydrophobicContact CB-CE2 4.11Å; D20-F61 HydrophobicContact CB-CG 4.13Å; D20-F61 HydrophobicContact CB-CZ 3.91Å; A27-F61 HydrophobicContact CB-CD2 4.16Å; A27-F61 HydrophobicContact CB-CE2 3.3Å; A27-F61 HydrophobicContact CB-CZ 3.67Å; A27-F61 VanDerWaalsContact N-CE2 3.3Å; I37-F61 HydrophobicContact CD1-CZ 4.28Å; F61-V68 HydrophobicContact CD1-CG1 3.75Å; F61-V68 HydrophobicContact CD2-CG1 4.46Å; F61-V68 HydrophobicContact CE1-CG1 3.82Å; F61-V68 HydrophobicContact CE2-CG1 4.5Å; F61-V68 HydrophobicContact CG-CG1 4.1Å; F61-V68 HydrophobicContact CZ-CG1 4.19Å; F61-I82 HydrophobicContact CD1-CD1 3.8Å; F61-I82 HydrophobicContact CE1-CD1 3.3Å; F61-I82 HydrophobicContact CZ-CD1 4.32Å; F61-W102 VanDerWaalsContact O-CB 3.3Å; F61-W102 WeakPolarHBondContact O-CB 2.95Å; F61-W102 VanDerWaalsContact O-CG 3.27Å
62S93.5Very high91.9Very high0 Ų030.7 Ų30.70%015%0.146CC..  trans-64.9156.6159.961.80000111D64 G65 K66 V67S62-D64 PolarHBondContact O-N 2.93Å; S62-D64 PolarHBondContact OG-OD1 2.85Å; S62-G65 PolarHBondContact O-N 2.8Å; S62-K66 PolarHBondContact OG-N 2.87Å; S62-V67 VanDerWaalsContact CB-CG2 3.44Å; S62-V67 PolarHBondContact N-O 3.18Å; S62-V67 WeakPolarHBondContact OG-CG2 3.48Å; S62-V67 PolarHBondContact OG-N 3.46Å; S62-V67 PolarHBondContact OG-O 3.37Å
63H92Very high92.7Very high53 Ų5333 Ų3325%0.24516%0.159CC..THydrogen-bonded Turntrans-58.1-21.5179.871.687.6000115.1P104 T106 Y107H63-P104 WeakPolarHBondContact CB-O 3.23Å; H63-T106 PolarHBondContact CD2-N 2.71Å; H63-Y107 AromaticContact NE2-CD2 3.63Å; H63-Y107 AromaticContact NE2-CE2 3.68Å
64D91.5Very high93Very high33 Ų3325.7 Ų25.718%0.17613%0.133CC..THydrogen-bonded Turntrans-1069.4179.774.1-17000113.8S22 S62 K66 Y107S22-D64 VanDerWaalsContact OG-C 3.31Å; S22-D64 PolarHBondContact OG-O 2.88Å; S62-D64 PolarHBondContact O-N 2.93Å; S62-D64 PolarHBondContact OG-OD1 2.85Å; D64-K66 PolarHBondContact O-N 3.48Å; D64-K66 PolarHBondContact OD1-N 3.06Å; D64-K66 VanDerWaalsContact OD2-CD 3.25Å; D64-K66 WeakPolarHBondContact OD2-CD 3.26Å; D64-K66 VanDerWaalsContact OD2-CE 3.27Å; D64-K66 WeakPolarHBondContact OD2-CE 3.33Å; D64-K66 IonicContact OD2-NZ 2.9Å; D64-K66 PolarHBondContact OD2-NZ 3.36Å; D64-Y107 PolarHBondContact OD1-OH 3.43Å; D64-Y107 PolarHBondContact OD2-OH 2.81Å
65G92.5Very high93Very high12 Ų1226.4 Ų26.412%0.12414%0.135CC..SBendtrans678175.200000115.3D20 S22 S62 I82D20-G65 VanDerWaalsContact OD1-CA 3.25Å; D20-G65 WeakPolarHBondContact OD1-CA 3.28Å; D20-G65 WeakPolarHBondContact OD2-CA 3.08Å; S22-G65 WeakPolarHBondContact OG-CA 3.25Å; S22-G65 PolarHBondContact OG-N 3.15Å; S62-G65 PolarHBondContact O-N 2.8Å; G65-I82 VanDerWaalsContact O-CD1 3.26Å; G65-I82 WeakPolarHBondContact O-CD1 3.35Å
66K92.5Very high93Very high90 Ų9026.5 Ų26.539%0.39113%0.134SC..SBendtrans-86.6-30.3-176-66.4-174.9-162.41350113.6S62 D64 H81 I82S62-K66 PolarHBondContact OG-N 2.87Å; D64-K66 PolarHBondContact O-N 3.48Å; D64-K66 PolarHBondContact OD1-N 3.06Å; D64-K66 VanDerWaalsContact OD2-CD 3.25Å; D64-K66 WeakPolarHBondContact OD2-CD 3.26Å; D64-K66 VanDerWaalsContact OD2-CE 3.27Å; D64-K66 WeakPolarHBondContact OD2-CE 3.33Å; D64-K66 IonicContact OD2-NZ 2.9Å; D64-K66 PolarHBondContact OD2-NZ 3.36Å; K66-H81 PolarHBondContact O-CD2 2.74Å; K66-I82 PolarHBondContact O-N 2.86Å
67V93Very high92.9Very high0 Ų026.5 Ų26.50%013%0.134CC..EExtended strand (participates in β ladder)trans-127.2151.6-179.4-54.10000111.1S62 V79 T80 H81 W102 Y107S62-V67 VanDerWaalsContact CB-CG2 3.44Å; S62-V67 PolarHBondContact N-O 3.18Å; S62-V67 WeakPolarHBondContact OG-CG2 3.48Å; S62-V67 PolarHBondContact OG-N 3.46Å; S62-V67 PolarHBondContact OG-O 3.37Å; V67-V79 HydrophobicContact CB-CG1 3.91Å; V67-V79 HydrophobicContact CG1-CG1 4.5Å; V67-V79 HydrophobicContact CG2-CG1 3.96Å; V67-T80 CarbonylContact C-O 3.5Å; V67-T80 WeakPolarHBondContact CA-O 3.44Å; V67-T80 WeakPolarHBondContact CB-O 3.39Å; V67-H81 HydrophobicContact CG1-CB 4.29Å; V67-W102 HydrophobicContact CG2-CH2 3.95Å; V67-W102 HydrophobicContact CG2-CZ2 3.73Å; V67-Y107 HydrophobicContact CG2-CD1 4.38Å; V67-Y107 HydrophobicContact CG2-CE1 3.88Å
68V94.6Very high92.8Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-116.7137.5166.8-71.70000108.7I35 I37 L49 V59 S60 F61 V79 T80 I82I35-V68 HydrophobicContact CD1-CG2 4.45Å; I37-V68 HydrophobicContact CD1-CG1 4.36Å; L49-V68 HydrophobicContact CD1-CG2 4.03Å; V59-V68 HydrophobicContact CG2-CB 4.07Å; V59-V68 HydrophobicContact CG2-CG1 4.31Å; S60-V68 CarbonylContact O-C 3.52Å; S60-V68 WeakPolarHBondContact O-CA 3.41Å; F61-V68 HydrophobicContact CD1-CG1 3.75Å; F61-V68 HydrophobicContact CD2-CG1 4.46Å; F61-V68 HydrophobicContact CE1-CG1 3.82Å; F61-V68 HydrophobicContact CE2-CG1 4.5Å; F61-V68 HydrophobicContact CG-CG1 4.1Å; F61-V68 HydrophobicContact CZ-CG1 4.19Å; V68-V79 CarbonylContact O-C 3.56Å; V68-V79 VanDerWaalsContact O-CA 3.28Å; V68-V79 WeakPolarHBondContact O-CA 3.19Å; V68-T80 PolarHBondContact N-O 3.02Å; V68-T80 PolarHBondContact O-N 3.41Å; V68-I82 HydrophobicContact CG1-CD1 3.73Å; V68-I82 HydrophobicContact CG1-CG1 4.08Å; V68-I82 HydrophobicContact CG2-CG1 4.33Å
69A94.5Very high92.8Very high0 Ų024.6 Ų24.60%013%0.125CC..EExtended strand (participates in β ladder)trans-96.6143.3164.500000108.6V59 S60 D78 V79 I100 W102 L109V59-A69 CarbonylContact C-O 3.54Å; V59-A69 VanDerWaalsContact CA-O 3.25Å; V59-A69 WeakPolarHBondContact CA-O 3.35Å; S60-A69 PolarHBondContact N-O 2.77Å; S60-A69 PolarHBondContact O-N 3.29Å; A69-D78 CarbonylContact C-O 3.57Å; A69-D78 WeakPolarHBondContact CA-O 3.47Å; A69-V79 HydrophobicContact CB-CG2 4.07Å; A69-I100 HydrophobicContact CB-CD1 3.7Å; A69-I100 VanDerWaalsContact O-CD1 3.28Å; A69-I100 WeakPolarHBondContact O-CD1 3.36Å; A69-W102 HydrophobicContact CB-CZ2 3.81Å; A69-W102 VanDerWaalsContact CB-NE1 3.28Å; A69-L109 HydrophobicContact CB-CD1 4.01Å; A69-L109 HydrophobicContact CB-CD2 3.46Å; A69-L109 VanDerWaalsContact CB-CD2 3.46Å; A69-L109 HydrophobicContact CB-CG 4.45Å
70S94.9Very high92.6Very high0 Ų024.4 Ų24.40%012%0.124CC..EExtended strand (participates in β ladder)trans-144.2154.3-179.958.10000110.4F52 G58 I77 D78F52-S70 WeakPolarHBondContact CE2-OG 3.37Å; G58-S70 VanDerWaalsContact O-CA 3.25Å; G58-S70 WeakPolarHBondContact O-CA 3.25Å; S70-I77 CarbonylContact O-C 3.56Å; S70-I77 VanDerWaalsContact O-CA 3.28Å; S70-I77 WeakPolarHBondContact O-CA 3.2Å; S70-D78 PolarHBondContact N-O 3.37Å; S70-D78 PolarHBondContact O-N 3.41Å; S70-D78 PolarHBondContact OG-O 2.81Å
71Y94.5Very high92.4Very high22 Ų2224.1 Ų24.19%0.08612%0.121CC..EExtended strand (participates in β ladder)trans-141.4149.3178.268.1-89.6000113E57 G58 K76 V97 T98 I100E57-Y71 HydrophobicContact CB-CD2 3.9Å; E57-Y71 HydrophobicContact CB-CE2 3.41Å; E57-Y71 VanDerWaalsContact CB-CE2 3.41Å; E57-Y71 PolarHBondContact N-O 2.9Å; G58-Y71 PolarHBondContact O-N 2.82Å; G58-Y71 VanDerWaalsContact O-N 3.08Å; Y71-K76 CarbonylContact C-O 3.53Å; Y71-K76 WeakPolarHBondContact CA-O 3.28Å; Y71-K76 WeakPolarHBondContact CB-O 3.45Å; Y71-V97 HydrophobicContact CD1-CG1 3.88Å; Y71-V97 HydrophobicContact CD2-CB 3.6Å; Y71-V97 HydrophobicContact CD2-CG1 3.53Å; Y71-V97 HydrophobicContact CE1-CG1 4.22Å; Y71-V97 HydrophobicContact CE2-CB 4.17Å; Y71-V97 HydrophobicContact CE2-CG1 3.9Å; Y71-V97 HydrophobicContact CG-CB 3.94Å; Y71-V97 HydrophobicContact CG-CG1 3.51Å; Y71-T98 PolarHBondContact OH-O 3.16Å; Y71-I100 HydrophobicContact CD1-CB 4.22Å; Y71-I100 HydrophobicContact CD1-CD1 3.78Å; Y71-I100 HydrophobicContact CD1-CG1 3.72Å; Y71-I100 HydrophobicContact CD1-CG2 3.58Å; Y71-I100 HydrophobicContact CE1-CB 4.36Å; Y71-I100 HydrophobicContact CE1-CD1 4.25Å; Y71-I100 HydrophobicContact CE1-CG1 3.77Å; Y71-I100 HydrophobicContact CE1-CG2 4.04Å; Y71-I100 HydrophobicContact CG-CG2 4.36Å
72T93.2Very high92.3Very high0 Ų024.7 Ų24.70%012%0.124CC..EExtended strand (participates in β ladder)trans-103.3163.9-179.966.40000112.6F52 D54 Q55 T74 M75 K76F52-T72 HydrophobicContact CB-CG2 3.73Å; F52-T72 HydrophobicContact CD1-CG2 3.32Å; F52-T72 HydrophobicContact CD2-CG2 3.57Å; F52-T72 HydrophobicContact CE1-CG2 3.65Å; F52-T72 HydrophobicContact CE2-CG2 3.86Å; F52-T72 HydrophobicContact CG-CG2 3.24Å; F52-T72 HydrophobicContact CZ-CG2 3.87Å; D54-T72 HydrophobicContact CB-CG2 4.24Å; Q55-T72 VanDerWaalsContact O-CA 3.25Å; Q55-T72 WeakPolarHBondContact O-CA 3.22Å; Q55-T72 WeakPolarHBondContact O-CB 3.25Å; T72-T74 WeakPolarHBondContact CB-OG1 3.47Å; T72-T74 PolarHBondContact O-N 3.39Å; T72-T74 PolarHBondContact OG1-N 2.8Å; T72-T74 PolarHBondContact OG1-OG1 2.85Å; T72-M75 PolarHBondContact O-N 3.32Å; T72-K76 PolarHBondContact N-O 3.49Å; T72-K76 WeakPolarHBondContact OG1-CB 3.4Å; T72-K76 PolarHBondContact OG1-N 2.97Å
73D87.2Confident92.1Very high67 Ų6732 Ų3236%0.35816%0.156SC..THydrogen-bonded Turntrans-63.7-24.2165.865.9-18.4000112.9Q55 E57 M75Q55-D73 PolarHBondContact O-N 2.88Å; E57-D73 HydrophobicContact CG-CB 4.04Å; D73-M75 PolarHBondContact O-N 3.28Å
74T88.2Confident92Very high61 Ų6132.1 Ų32.137%0.37416%0.163SC..THydrogen-bonded Turntrans-81.721.2176.657.60000115.1D54 T72 K76D54-T74 HydrophobicContact CB-CG2 3.92Å; D54-T74 VanDerWaalsContact CG-CG2 3.41Å; D54-T74 WeakPolarHBondContact OD2-CB 3.37Å; D54-T74 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T74 PolarHBondContact OD2-OG1 2.94Å; T72-T74 WeakPolarHBondContact CB-OG1 3.47Å; T72-T74 PolarHBondContact O-N 3.39Å; T72-T74 PolarHBondContact OG1-N 2.8Å; T72-T74 PolarHBondContact OG1-OG1 2.85Å; T74-K76 PolarHBondContact O-N 3.48Å
75M89.1Confident91.9Very high75 Ų7531.3 Ų31.337%0.36916%0.162SC..SBendtrans65.234.3173-47.5-177179.700114.1T72 D73 P92 T93 Y95T72-M75 PolarHBondContact O-N 3.32Å; D73-M75 PolarHBondContact O-N 3.28Å; M75-P92 WeakPolarHBondContact O-CA 3.42Å; M75-T93 PolarHBondContact O-N 3.32Å; M75-T93 PolarHBondContact O-OG1 2.91Å; M75-Y95 WeakPolarHBondContact CB-O 3.18Å; M75-Y95 WeakPolarHBondContact CG-O 3.24Å; M75-Y95 VanDerWaalsContact SD-C 3.58Å; M75-Y95 VanDerWaalsContact SD-CA 3.57Å; M75-Y95 PolarHBondContact SD-N 2.97Å; M75-Y95 VanDerWaalsContact SD-N 3.41Å
76K91.8Very high91.7Very high74 Ų7433.9 Ų33.932%0.32218%0.175SC..EExtended strand (participates in β ladder)trans-112.6146.9173.9-65.2-171167.7-151.80111.2F52 Y71 T72 T74 E90F52-K76 HydrophobicContact CD1-CD 4.44Å; F52-K76 HydrophobicContact CE1-CB 3.89Å; F52-K76 HydrophobicContact CE1-CD 4.09Å; F52-K76 HydrophobicContact CZ-CB 4.44Å; Y71-K76 CarbonylContact C-O 3.53Å; Y71-K76 WeakPolarHBondContact CA-O 3.28Å; Y71-K76 WeakPolarHBondContact CB-O 3.45Å; T72-K76 PolarHBondContact N-O 3.49Å; T72-K76 WeakPolarHBondContact OG1-CB 3.4Å; T72-K76 PolarHBondContact OG1-N 2.97Å; T74-K76 PolarHBondContact O-N 3.48Å; K76-E90 IonicContact NZ-OE1 3.74Å; K76-E90 PolarHBondContact NZ-OE1 3.04Å
77I92.4Very high91.6Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-121.5136.6166.9-64.6176.8000108S70 E90 M91 T93 V97 I111S70-I77 CarbonylContact O-C 3.56Å; S70-I77 VanDerWaalsContact O-CA 3.28Å; S70-I77 WeakPolarHBondContact O-CA 3.2Å; I77-E90 WeakPolarHBondContact O-CA 3.26Å; I77-M91 PolarHBondContact N-O 3.49Å; I77-M91 PolarHBondContact O-N 3.17Å; I77-T93 HydrophobicContact CD1-CG2 3.49Å; I77-T93 VanDerWaalsContact CD1-CG2 3.49Å; I77-T93 HydrophobicContact CG1-CG2 3.81Å; I77-V97 HydrophobicContact CD1-CG2 3.96Å; I77-V97 HydrophobicContact CG1-CG2 4.08Å; I77-I111 HydrophobicContact CD1-CB 4.3Å; I77-I111 HydrophobicContact CD1-CD1 3.25Å; I77-I111 HydrophobicContact CD1-CG1 3.57Å; I77-I111 HydrophobicContact CD1-CG2 3.71Å
78D92.5Very high91.5Very high5 Ų534.8 Ų34.83%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-126.2137170.2178.868.3000110F52 A69 S70 T80 S87 F89F52-D78 HydrophobicContact CE1-CB 4.25Å; F52-D78 HydrophobicContact CE2-CB 3.8Å; F52-D78 HydrophobicContact CZ-CB 3.31Å; A69-D78 CarbonylContact C-O 3.57Å; A69-D78 WeakPolarHBondContact CA-O 3.47Å; S70-D78 PolarHBondContact N-O 3.37Å; S70-D78 PolarHBondContact O-N 3.41Å; S70-D78 PolarHBondContact OG-O 2.81Å; D78-T80 PolarHBondContact OD2-OG1 2.8Å; D78-S87 WeakPolarHBondContact OD1-CB 3.31Å; D78-S87 PolarHBondContact OD1-OG 2.86Å; D78-F89 CarbonylContact C-O 3.56Å; D78-F89 WeakPolarHBondContact CA-O 3.25Å
79V93.5Very high91.1Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-111.6121.5166.6-176.60000107.4V67 V68 A69 V88 F89 W102 F134 V136V67-V79 HydrophobicContact CB-CG1 3.91Å; V67-V79 HydrophobicContact CG1-CG1 4.5Å; V67-V79 HydrophobicContact CG2-CG1 3.96Å; V68-V79 CarbonylContact O-C 3.56Å; V68-V79 VanDerWaalsContact O-CA 3.28Å; V68-V79 WeakPolarHBondContact O-CA 3.19Å; A69-V79 HydrophobicContact CB-CG2 4.07Å; V79-V88 HydrophobicContact CB-CG2 4.04Å; V79-V88 HydrophobicContact CG1-CG2 3.73Å; V79-V88 VanDerWaalsContact O-CG2 3.23Å; V79-V88 WeakPolarHBondContact O-CG2 3.27Å; V79-V88 PolarHBondContact O-N 2.86Å; V79-F89 HydrophobicContact CB-CB 4.09Å; V79-F89 HydrophobicContact CG2-CB 4.33Å; V79-F89 HydrophobicContact CG2-CD1 4.09Å; V79-F89 PolarHBondContact N-O 2.87Å; V79-F89 PolarHBondContact O-N 3.01Å; V79-W102 HydrophobicContact CG1-CH2 4.17Å; V79-W102 HydrophobicContact CG1-CZ2 3.86Å; V79-W102 HydrophobicContact CG2-CZ2 4.23Å; V79-F134 HydrophobicContact CG2-CE2 4.31Å; V79-F134 HydrophobicContact CG2-CZ 4.38Å; V79-V136 HydrophobicContact CG2-CG2 4.49Å
80T92.3Very high90.8Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-118.8136-177.7-81.70000110.5L49 W51 V67 V68 D78 T86L49-T80 HydrophobicContact CD1-CG2 3.91Å; L49-T80 HydrophobicContact CD2-CG2 4.37Å; W51-T80 HydrophobicContact CZ2-CG2 3.93Å; W51-T80 PolarHBondContact NE1-OG1 3.4Å; V67-T80 CarbonylContact C-O 3.5Å; V67-T80 WeakPolarHBondContact CA-O 3.44Å; V67-T80 WeakPolarHBondContact CB-O 3.39Å; V68-T80 PolarHBondContact N-O 3.02Å; V68-T80 PolarHBondContact O-N 3.41Å; D78-T80 PolarHBondContact OD2-OG1 2.8Å; T80-T86 WeakPolarHBondContact CA-O 3.14Å
81H92.1Very high90.5Very high9 Ų945.5 Ų45.54%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-77124.6168-176.3-106.7000110.4K66 V67 S84 G85 T86 V88 E141K66-H81 PolarHBondContact O-CD2 2.74Å; V67-H81 HydrophobicContact CG1-CB 4.29Å; H81-S84 WeakPolarHBondContact CB-OG 3.3Å; H81-S84 PolarHBondContact ND1-N 2.83Å; H81-S84 PolarHBondContact ND1-OG 3.28Å; H81-S84 PolarHBondContact O-OG 2.93Å; H81-G85 WeakPolarHBondContact O-CA 3.41Å; H81-G85 PolarHBondContact O-N 3.18Å; H81-T86 PolarHBondContact N-O 2.7Å; H81-T86 PolarHBondContact O-N 2.96Å; H81-V88 HydrophobicContact CB-CG1 3.92Å; H81-E141 IonicContact CE1-OE1 3.79Å; H81-E141 PolarHBondContact CE1-OE1 3.17Å; H81-E141 VanDerWaalsContact CE1-OE1 3.27Å
82I91.7Very high90.2Very high17 Ų1749.3 Ų49.39%0.08727%0.268CS..THydrogen-bonded Turntrans-68.6-44.4-167.8-60179.2000111.2I37 K47 F61 G65 K66 V68 G85I37-I82 HydrophobicContact CG1-CG2 4.22Å; I37-I82 HydrophobicContact CG2-CG2 4.35Å; K47-I82 VanDerWaalsContact CD-O 3.31Å; K47-I82 WeakPolarHBondContact CD-O 3.21Å; K47-I82 WeakPolarHBondContact CE-O 3.38Å; K47-I82 PolarHBondContact NZ-O 3.19Å; F61-I82 HydrophobicContact CD1-CD1 3.8Å; F61-I82 HydrophobicContact CE1-CD1 3.3Å; F61-I82 HydrophobicContact CZ-CD1 4.32Å; G65-I82 VanDerWaalsContact O-CD1 3.26Å; G65-I82 WeakPolarHBondContact O-CD1 3.35Å; K66-I82 PolarHBondContact O-N 2.86Å; V68-I82 HydrophobicContact CG1-CD1 3.73Å; V68-I82 HydrophobicContact CG1-CG1 4.08Å; V68-I82 HydrophobicContact CG2-CG1 4.33Å; I82-G85 PolarHBondContact O-N 2.53Å
83K89.9Confident89.8Confident154 Ų15450.2 Ų50.267%0.6727%0.273SS*.THydrogen-bonded Turntrans-66.5-49.3-175.6-65.9-176176.2-179.70112.4K47 G85K47-K83 PolarHBondContact NZ-O 3.2Å; K83-G85 VanDerWaalsContact C-N 3.33Å
84S90.2Very high89.7Confident56 Ų5650.2 Ų50.239%0.39229%0.289SS..THydrogen-bonded Turntrans-72.6-30.8176.857.50000111.4H81 T86H81-S84 WeakPolarHBondContact CB-OG 3.3Å; H81-S84 PolarHBondContact ND1-N 2.83Å; H81-S84 PolarHBondContact ND1-OG 3.28Å; H81-S84 PolarHBondContact O-OG 2.93Å; S84-T86 VanDerWaalsContact C-N 3.35Å; S84-T86 PolarHBondContact OG-N 2.91Å; S84-T86 PolarHBondContact OG-OG1 3.42Å
85G89.6Confident89.7Confident15 Ų1548.2 Ų48.216%0.15528%0.275CS..THydrogen-bonded Turntrans6248.1-168.900000109.5K47 W51 H81 I82 K83K47-G85 VanDerWaalsContact NZ-N 3.18Å; W51-G85 WeakPolarHBondContact CH2-O 3.35Å; W51-G85 VanDerWaalsContact CZ2-C 3.44Å; W51-G85 WeakPolarHBondContact CZ2-O 3.24Å; H81-G85 WeakPolarHBondContact O-CA 3.41Å; H81-G85 PolarHBondContact O-N 3.18Å; I82-G85 PolarHBondContact O-N 2.53Å; K83-G85 VanDerWaalsContact C-N 3.33Å
86T88.9Confident89.6Confident67 Ų6750.8 Ų50.841%0.41128%0.28SS..EExtended strand (participates in β ladder)trans-123135176.855.40000109.2T80 H81 S84 V88T80-T86 WeakPolarHBondContact CA-O 3.14Å; H81-T86 PolarHBondContact N-O 2.7Å; H81-T86 PolarHBondContact O-N 2.96Å; S84-T86 VanDerWaalsContact C-N 3.35Å; S84-T86 PolarHBondContact OG-N 2.91Å; S84-T86 PolarHBondContact OG-OG1 3.42Å; T86-V88 PolarHBondContact O-N 2.88Å
87S90.3Very high89.6Confident50 Ų5047.5 Ų47.535%0.3527%0.266SS..EExtended strand (participates in β ladder)trans-59.8127.6165.8177.30000109.3D78D78-S87 WeakPolarHBondContact OD1-CB 3.31Å; D78-S87 PolarHBondContact OD1-OG 2.86Å
88V89.6Confident89.6Confident59 Ų5950.7 Ų50.736%0.35829%0.286SS..EExtended strand (participates in β ladder)trans-104.4-17.4174.1-60.70000111.5V79 H81 T86 T139V79-V88 HydrophobicContact CB-CG2 4.04Å; V79-V88 HydrophobicContact CG1-CG2 3.73Å; V79-V88 VanDerWaalsContact O-CG2 3.23Å; V79-V88 WeakPolarHBondContact O-CG2 3.27Å; V79-V88 PolarHBondContact O-N 2.86Å; H81-V88 HydrophobicContact CB-CG1 3.92Å; T86-V88 PolarHBondContact O-N 2.88Å; V88-T139 HydrophobicContact CB-CG2 4.18Å; V88-T139 HydrophobicContact CG1-CG2 3.92Å; V88-T139 HydrophobicContact CG2-CG2 4.25Å
89F87.1Confident89.6Confident67 Ų6752.6 Ų52.629%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-158125.6177.8176.9-93.8000110D78 V79 M91 F134D78-F89 CarbonylContact C-O 3.56Å; D78-F89 WeakPolarHBondContact CA-O 3.25Å; V79-F89 HydrophobicContact CB-CB 4.09Å; V79-F89 HydrophobicContact CG2-CB 4.33Å; V79-F89 HydrophobicContact CG2-CD1 4.09Å; V79-F89 PolarHBondContact N-O 2.87Å; V79-F89 PolarHBondContact O-N 3.01Å; F89-M91 HydrophobicContact CD1-CB 4.49Å; F89-M91 HydrophobicContact CE1-CB 3.55Å; F89-M91 HydrophobicContact CE1-CE 4.26Å; F89-M91 HydrophobicContact CZ-CB 3.62Å; F89-M91 HydrophobicContact CZ-CE 4.15Å; F89-M91 HydrophobicContact CZ-CG 4.33Å; F89-M91 HydrophobicContact CZ-SD 3.94Å; F89-F134 HydrophobicContact CD1-CE2 4.11Å; F89-F134 HydrophobicContact CE1-CD2 4.41Å; F89-F134 AromaticContact CE1-CE2 3.9Å; F89-F134 HydrophobicContact CE1-CE2 3.9Å; F89-F134 HydrophobicContact CE1-CZ 4.17Å; F89-F134 HydrophobicContact CZ-CE2 4.44Å
90E88.9Confident89.6Confident105 Ų10553.6 Ų53.649%0.49131%0.308SS..EExtended strand (participates in β ladder)trans-122.2137.3168.9-174-178.1172.300108.5K76 I77K76-E90 IonicContact NZ-OE1 3.74Å; K76-E90 PolarHBondContact NZ-OE1 3.04Å; I77-E90 WeakPolarHBondContact O-CA 3.26Å
91M86.6Confident89.7Confident52 Ų5257 Ų5726%0.25633%0.331SS..EExtended strand (participates in β ladder)trans-143.1129.8174.8-177.7172.764.600112I77 F89 I111I77-M91 PolarHBondContact N-O 3.49Å; I77-M91 PolarHBondContact O-N 3.17Å; F89-M91 HydrophobicContact CD1-CB 4.49Å; F89-M91 HydrophobicContact CE1-CB 3.55Å; F89-M91 HydrophobicContact CE1-CE 4.26Å; F89-M91 HydrophobicContact CZ-CB 3.62Å; F89-M91 HydrophobicContact CZ-CE 4.15Å; F89-M91 HydrophobicContact CZ-CG 4.33Å; F89-M91 HydrophobicContact CZ-SD 3.94Å; M91-I111 HydrophobicContact CE-CD1 4.07Å
92P88.7Confident89.8Confident103 Ų10357.3 Ų57.367%0.66933%0.332SS*.EExtended strand (participates in β ladder)trans-73.7125.7162.530.5-31.2000109.3M75M75-P92 WeakPolarHBondContact O-CA 3.42Å
93T84.9Confident89.8Confident19 Ų1960 Ų6012%0.11734%0.344CS..  trans-82.7-24.3178.953.80000112.5M75 I77 Y95 V97M75-T93 PolarHBondContact O-N 3.32Å; M75-T93 PolarHBondContact O-OG1 2.91Å; I77-T93 HydrophobicContact CD1-CG2 3.49Å; I77-T93 VanDerWaalsContact CD1-CG2 3.49Å; I77-T93 HydrophobicContact CG1-CG2 3.81Å; T93-Y95 WeakPolarHBondContact O-CD1 3.25Å; T93-Y95 WeakPolarHBondContact O-CE1 3.38Å; T93-Y95 PolarHBondContact O-N 3.1Å; T93-Y95 PolarHBondContact OG1-O 2.82Å; T93-V97 HydrophobicContact CG2-CG2 3.64Å
94G86.1Confident89.8Confident67 Ų6756.9 Ų56.969%0.69134%0.34SS*.SBendtrans68.66.7-173.700000113.9
95Y86.6Confident89.8Confident18 Ų1861.1 Ų61.17%0.07135%0.353CS..SBendtrans-145.7156.8174.659.5-101.5000110.3M75 T93 V97 I111 L114 V130 Q132M75-Y95 WeakPolarHBondContact CB-O 3.18Å; M75-Y95 WeakPolarHBondContact CG-O 3.24Å; M75-Y95 VanDerWaalsContact SD-C 3.58Å; M75-Y95 VanDerWaalsContact SD-CA 3.57Å; M75-Y95 PolarHBondContact SD-N 2.97Å; M75-Y95 VanDerWaalsContact SD-N 3.41Å; T93-Y95 WeakPolarHBondContact O-CD1 3.25Å; T93-Y95 WeakPolarHBondContact O-CE1 3.38Å; T93-Y95 PolarHBondContact O-N 3.1Å; T93-Y95 PolarHBondContact OG1-O 2.82Å; Y95-V97 HydrophobicContact CE2-CG2 4.34Å; Y95-V97 PolarHBondContact O-N 2.99Å; Y95-I111 HydrophobicContact CE2-CG2 4.32Å; Y95-L114 WeakPolarHBondContact CB-O 3.33Å; Y95-V130 HydrophobicContact CE1-CG1 4.22Å; Y95-Q132 PolarHBondContact OH-OE1 3.18Å
96R88.6Confident89.8Confident130 Ų13063.5 Ų63.549%0.49137%0.365SS..EExtended strand (participates in β ladder)trans-68.4118.7179.6-177.2179.2-179.9-168.51.6109.8G113 L114R96-G113 CarbonylContact O-C 3.59Å; R96-G113 WeakPolarHBondContact O-CA 3.24Å; R96-L114 PolarHBondContact N-O 3.35Å; R96-L114 PolarHBondContact O-N 2.73Å
97V91.5Very high89.8Confident4 Ų461.4 Ų61.42%0.02435%0.349CS..EExtended strand (participates in β ladder)trans-75137.4172.1-178.90000108.9Y71 I77 T93 Y95 I100 I111 A112Y71-V97 HydrophobicContact CD1-CG1 3.88Å; Y71-V97 HydrophobicContact CD2-CB 3.6Å; Y71-V97 HydrophobicContact CD2-CG1 3.53Å; Y71-V97 HydrophobicContact CE1-CG1 4.22Å; Y71-V97 HydrophobicContact CE2-CB 4.17Å; Y71-V97 HydrophobicContact CE2-CG1 3.9Å; Y71-V97 HydrophobicContact CG-CB 3.94Å; Y71-V97 HydrophobicContact CG-CG1 3.51Å; I77-V97 HydrophobicContact CD1-CG2 3.96Å; I77-V97 HydrophobicContact CG1-CG2 4.08Å; T93-V97 HydrophobicContact CG2-CG2 3.64Å; Y95-V97 HydrophobicContact CE2-CG2 4.34Å; Y95-V97 PolarHBondContact O-N 2.99Å; V97-I100 HydrophobicContact CG1-CG2 3.88Å; V97-I111 HydrophobicContact CG1-CG2 3.89Å; V97-I111 HydrophobicContact CG2-CG2 4.03Å; V97-A112 WeakPolarHBondContact CA-O 3.23Å
98T91.9Very high89.9Confident68 Ų6861.8 Ų61.842%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-118.6-23.1-178.955.50000112.8Y71 A112 L114Y71-T98 PolarHBondContact OH-O 3.16Å; T98-A112 PolarHBondContact N-O 3.39Å; T98-A112 PolarHBondContact OG1-O 3.39Å; T98-L114 HydrophobicContact CG2-CD1 4.13Å; T98-L114 HydrophobicContact CG2-CG 4.04Å
99A92.8Very high90Very high44 Ų4459 Ų5936%0.36433%0.33SS..EExtended strand (participates in β ladder)trans-158.4151.9173.600000110.1A112A99-A112 HydrophobicContact CB-CB 4.29Å; A99-A112 PolarHBondContact N-O 3.02Å; A99-A112 PolarHBondContact O-N 3.07Å
100I93.8Very high90.3Very high22 Ų2257.3 Ų57.311%0.11333%0.329CS..EExtended strand (participates in β ladder)trans-129.8153.2165.961.7172.3000108.4A69 Y71 V97 L109 A110 I111A69-I100 HydrophobicContact CB-CD1 3.7Å; A69-I100 VanDerWaalsContact O-CD1 3.28Å; A69-I100 WeakPolarHBondContact O-CD1 3.36Å; Y71-I100 HydrophobicContact CD1-CB 4.22Å; Y71-I100 HydrophobicContact CD1-CD1 3.78Å; Y71-I100 HydrophobicContact CD1-CG1 3.72Å; Y71-I100 HydrophobicContact CD1-CG2 3.58Å; Y71-I100 HydrophobicContact CE1-CB 4.36Å; Y71-I100 HydrophobicContact CE1-CD1 4.25Å; Y71-I100 HydrophobicContact CE1-CG1 3.77Å; Y71-I100 HydrophobicContact CE1-CG2 4.04Å; Y71-I100 HydrophobicContact CG-CG2 4.36Å; V97-I100 HydrophobicContact CG1-CG2 3.88Å; I100-L109 HydrophobicContact CB-CD1 4.29Å; I100-L109 HydrophobicContact CB-CD2 4.42Å; I100-A110 CarbonylContact C-O 3.56Å; I100-A110 VanDerWaalsContact CA-O 3.24Å; I100-A110 WeakPolarHBondContact CA-O 3.02Å; I100-I111 HydrophobicContact CG2-CG1 4.36Å; I100-I111 HydrophobicContact CG2-CG2 4.46Å
101S94Very high90.4Very high70 Ų7052.4 Ų52.449%0.4931%0.306SS..EExtended strand (participates in β ladder)trans-153.4125.9175.2174.70000109.8L109 A110S101-L109 VanDerWaalsContact C-CD1 3.47Å; S101-L109 WeakPolarHBondContact O-CD1 3.43Å; S101-A110 PolarHBondContact N-O 2.79Å; S101-A110 PolarHBondContact O-N 3.16Å
102W94Very high90.7Very high16 Ų1651.2 Ų51.26%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-75.8143.3170.9-76.1101.3000111S60 F61 V67 A69 V79 Y107 L109 V136S60-W102 VanDerWaalsContact O-CD1 3.24Å; S60-W102 PolarHBondContact O-NE1 3.13Å; F61-W102 VanDerWaalsContact O-CB 3.3Å; F61-W102 WeakPolarHBondContact O-CB 2.95Å; F61-W102 VanDerWaalsContact O-CG 3.27Å; V67-W102 HydrophobicContact CG2-CH2 3.95Å; V67-W102 HydrophobicContact CG2-CZ2 3.73Å; A69-W102 HydrophobicContact CB-CZ2 3.81Å; A69-W102 VanDerWaalsContact CB-NE1 3.28Å; V79-W102 HydrophobicContact CG1-CH2 4.17Å; V79-W102 HydrophobicContact CG1-CZ2 3.86Å; V79-W102 HydrophobicContact CG2-CZ2 4.23Å; W102-Y107 HydrophobicContact CH2-CD1 4.36Å; W102-Y107 HydrophobicContact CZ3-CD1 4.08Å; W102-L109 HydrophobicContact CB-CD1 4.31Å; W102-L109 HydrophobicContact CD2-CB 4.2Å; W102-L109 HydrophobicContact CD2-CD1 3.58Å; W102-L109 HydrophobicContact CD2-CG 4.48Å; W102-L109 HydrophobicContact CE3-CB 3.98Å; W102-L109 HydrophobicContact CE3-CD1 4.21Å; W102-L109 HydrophobicContact CG-CD1 3.58Å; W102-L109 HydrophobicContact CH2-CB 4.36Å; W102-L109 HydrophobicContact CZ2-CD1 4.41Å; W102-L109 HydrophobicContact CZ3-CB 4.06Å; W102-V136 HydrophobicContact CH2-CB 4.02Å; W102-V136 HydrophobicContact CH2-CG2 3.65Å; W102-V136 HydrophobicContact CZ3-CB 4.32Å; W102-V136 HydrophobicContact CZ3-CG2 4.11Å
103H92.1Very high90.8Very high73 Ų7346.5 Ų46.534%0.33828%0.275SS..  trans-66138.6168.9-175.9-83.1000109.8E105 T106 L108H103-E105 PolarHBondContact ND1-N 3.01Å; H103-E105 VanDerWaalsContact ND1-N 3.16Å; H103-E105 PolarHBondContact O-N 3.47Å; H103-E105 VanDerWaalsContact O-N 3.16Å; H103-T106 VanDerWaalsContact CG-OG1 3.29Å; H103-T106 PolarHBondContact ND1-N 3.27Å; H103-T106 VanDerWaalsContact ND1-N 3.17Å; H103-T106 PolarHBondContact ND1-OG1 2.84Å; H103-L108 HydrophobicContact CB-CB 3.78Å; H103-L108 VanDerWaalsContact CB-O 3.29Å; H103-L108 WeakPolarHBondContact CB-O 3.36Å; H103-L108 PolarHBondContact N-O 2.81Å
104P90.3Very high90.8Very high90 Ų9048.1 Ų48.158%0.58428%0.282SS*.SBendtrans-69.1-15.7-170.826.1-36.8000115H63H63-P104 WeakPolarHBondContact CB-O 3.23Å
105E89.8Confident90.2Very high144 Ų14445.7 Ų45.767%0.67326%0.255SS*.SBendtrans-130.9-5.5-174.5-61.8-62.8156.400114H103H103-E105 PolarHBondContact ND1-N 3.01Å; H103-E105 VanDerWaalsContact ND1-N 3.16Å; H103-E105 PolarHBondContact O-N 3.47Å; H103-E105 VanDerWaalsContact O-N 3.16Å
106T89.8Confident89.3Confident65 Ų6553.6 Ų53.640%0.39929%0.285SS..SBendtrans-141.7159.6-173.871.50000110.1H63 H103 L108H63-T106 PolarHBondContact CD2-N 2.71Å; H103-T106 VanDerWaalsContact CG-OG1 3.29Å; H103-T106 PolarHBondContact ND1-N 3.27Å; H103-T106 VanDerWaalsContact ND1-N 3.17Å; H103-T106 PolarHBondContact ND1-OG1 2.84Å; T106-L108 PolarHBondContact O-N 3.16Å; T106-L108 WeakPolarHBondContact OG1-CB 3.24Å
107Y88.9Confident87.9Confident23 Ų2355.6 Ų55.69%0.0929%0.292CS..SBendtrans-78.149.5174.3-79.3-94.4000112.4H63 D64 V67 W102 S135 V136 Q138H63-Y107 AromaticContact NE2-CD2 3.63Å; H63-Y107 AromaticContact NE2-CE2 3.68Å; D64-Y107 PolarHBondContact OD1-OH 3.43Å; D64-Y107 PolarHBondContact OD2-OH 2.81Å; V67-Y107 HydrophobicContact CG2-CD1 4.38Å; V67-Y107 HydrophobicContact CG2-CE1 3.88Å; W102-Y107 HydrophobicContact CH2-CD1 4.36Å; W102-Y107 HydrophobicContact CZ3-CD1 4.08Å; Y107-S135 CarbonylContact O-C 3.49Å; Y107-S135 VanDerWaalsContact O-CA 3.25Å; Y107-S135 WeakPolarHBondContact O-CA 3.25Å; Y107-V136 WeakPolarHBondContact CB-O 3.09Å; Y107-V136 HydrophobicContact CD1-CB 4.47Å; Y107-V136 PolarHBondContact O-N 2.82Å; Y107-Q138 HydrophobicContact CD2-CG 4.24Å; Y107-Q138 HydrophobicContact CE2-CG 4.17Å
108L91.1Very high86.3Confident58 Ų5860.6 Ų60.630%0.30432%0.323SS..EExtended strand (participates in β ladder)trans-105122173.6-173.877.4000108.4H103 T106 T133 F134H103-L108 HydrophobicContact CB-CB 3.78Å; H103-L108 VanDerWaalsContact CB-O 3.29Å; H103-L108 WeakPolarHBondContact CB-O 3.36Å; H103-L108 PolarHBondContact N-O 2.81Å; T106-L108 PolarHBondContact O-N 3.16Å; T106-L108 WeakPolarHBondContact OG1-CB 3.24Å; L108-T133 HydrophobicContact CD2-CG2 4.45Å; L108-F134 CarbonylContact C-O 3.58Å; L108-F134 WeakPolarHBondContact CA-O 3.4Å
109L92.3Very high84.6Confident0 Ų065.2 Ų65.20%033%0.333CS..EExtended strand (participates in β ladder)trans-105.9127.9174.3-174.673.6000110.2A69 I100 S101 W102 I111 T133 F134A69-L109 HydrophobicContact CB-CD1 4.01Å; A69-L109 HydrophobicContact CB-CD2 3.46Å; A69-L109 VanDerWaalsContact CB-CD2 3.46Å; A69-L109 HydrophobicContact CB-CG 4.45Å; I100-L109 HydrophobicContact CB-CD1 4.29Å; I100-L109 HydrophobicContact CB-CD2 4.42Å; S101-L109 VanDerWaalsContact C-CD1 3.47Å; S101-L109 WeakPolarHBondContact O-CD1 3.43Å; W102-L109 HydrophobicContact CB-CD1 4.31Å; W102-L109 HydrophobicContact CD2-CB 4.2Å; W102-L109 HydrophobicContact CD2-CD1 3.58Å; W102-L109 HydrophobicContact CD2-CG 4.48Å; W102-L109 HydrophobicContact CE3-CB 3.98Å; W102-L109 HydrophobicContact CE3-CD1 4.21Å; W102-L109 HydrophobicContact CG-CD1 3.58Å; W102-L109 HydrophobicContact CH2-CB 4.36Å; W102-L109 HydrophobicContact CZ2-CD1 4.41Å; W102-L109 HydrophobicContact CZ3-CB 4.06Å; L109-I111 HydrophobicContact CD2-CG1 4.47Å; L109-T133 CarbonylContact O-C 3.53Å; L109-T133 VanDerWaalsContact O-CA 3.22Å; L109-T133 WeakPolarHBondContact O-CA 3.45Å; L109-F134 HydrophobicContact CB-CD1 3.98Å; L109-F134 HydrophobicContact CB-CD2 4.44Å; L109-F134 HydrophobicContact CB-CE1 3.43Å; L109-F134 VanDerWaalsContact CB-CE1 3.43Å; L109-F134 HydrophobicContact CB-CE2 3.98Å; L109-F134 HydrophobicContact CB-CG 4.48Å; L109-F134 HydrophobicContact CB-CZ 3.49Å; L109-F134 VanDerWaalsContact CB-CZ 3.49Å; L109-F134 HydrophobicContact CD2-CE1 3.35Å; L109-F134 HydrophobicContact CD2-CE2 4.21Å; L109-F134 HydrophobicContact CD2-CZ 3.12Å; L109-F134 HydrophobicContact CG-CE1 3.62Å; L109-F134 HydrophobicContact CG-CZ 3.75Å; L109-F134 PolarHBondContact N-O 2.88Å; L109-F134 WeakPolarHBondContact O-CD1 3.32Å; L109-F134 PolarHBondContact O-N 3.13Å
110A93Very high83Confident33 Ų3368.9 Ų68.927%0.27335%0.352SS..EExtended strand (participates in β ladder)trans-92133.3169.400000110.3I100 S101 Q132 T133I100-A110 CarbonylContact C-O 3.56Å; I100-A110 VanDerWaalsContact CA-O 3.24Å; I100-A110 WeakPolarHBondContact CA-O 3.02Å; S101-A110 PolarHBondContact N-O 2.79Å; S101-A110 PolarHBondContact O-N 3.16Å; A110-Q132 CarbonylContact C-O 3.58Å; A110-Q132 WeakPolarHBondContact CA-O 3.38Å; A110-T133 HydrophobicContact CB-CG2 4.3Å
111I92.1Very high81.6Confident1 Ų176.5 Ų76.51%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-119.1129.4176.4-55.8161.8000108.2I77 M91 Y95 V97 I100 L109 V131 Q132 F134I77-I111 HydrophobicContact CD1-CB 4.3Å; I77-I111 HydrophobicContact CD1-CD1 3.25Å; I77-I111 HydrophobicContact CD1-CG1 3.57Å; I77-I111 HydrophobicContact CD1-CG2 3.71Å; M91-I111 HydrophobicContact CE-CD1 4.07Å; Y95-I111 HydrophobicContact CE2-CG2 4.32Å; V97-I111 HydrophobicContact CG1-CG2 3.89Å; V97-I111 HydrophobicContact CG2-CG2 4.03Å; I100-I111 HydrophobicContact CG2-CG1 4.36Å; I100-I111 HydrophobicContact CG2-CG2 4.46Å; L109-I111 HydrophobicContact CD2-CG1 4.47Å; I111-V131 CarbonylContact O-C 3.58Å; I111-V131 VanDerWaalsContact O-CA 3.26Å; I111-V131 WeakPolarHBondContact O-CA 3.48Å; I111-Q132 PolarHBondContact N-O 3.29Å; I111-Q132 PolarHBondContact O-N 3.49Å; I111-F134 HydrophobicContact CD1-CD1 3.67Å; I111-F134 HydrophobicContact CD1-CE1 3.28Å; I111-F134 HydrophobicContact CD1-CZ 4.35Å; I111-F134 HydrophobicContact CG1-CD1 4.18Å; I111-F134 HydrophobicContact CG1-CE1 3.62Å
112A92.2Very high79.5Confident28 Ų2880.6 Ų80.623%0.23139%0.391CS..EExtended strand (participates in β ladder)trans-111.3142.5167.900000110.8V97 T98 A99 V130V97-A112 WeakPolarHBondContact CA-O 3.23Å; T98-A112 PolarHBondContact N-O 3.39Å; T98-A112 PolarHBondContact OG1-O 3.39Å; A99-A112 HydrophobicContact CB-CB 4.29Å; A99-A112 PolarHBondContact N-O 3.02Å; A99-A112 PolarHBondContact O-N 3.07Å; A112-V130 CarbonylContact C-O 3.4Å; A112-V130 VanDerWaalsContact CA-O 3.27Å; A112-V130 WeakPolarHBondContact CA-O 3.38Å
113G90.1Very high78Confident3 Ų388 Ų883%0.03143%0.432CS..EExtended strand (participates in β ladder)trans-164.8177.517500000115.1R96 S129 V130R96-G113 CarbonylContact O-C 3.59Å; R96-G113 WeakPolarHBondContact O-CA 3.24Å; G113-S129 CarbonylContact O-C 3.58Å; G113-S129 WeakPolarHBondContact O-CA 3.37Å; G113-V130 PolarHBondContact N-O 3.48Å; G113-V130 PolarHBondContact O-N 2.65Å
114L84.9Confident76Confident54 Ų5488.8 Ų88.828%0.28344%0.439SS..EExtended strand (participates in β ladder)trans-108.2101.2-178.5-64.5171.4000110Y95 R96 T98Y95-L114 WeakPolarHBondContact CB-O 3.33Å; R96-L114 PolarHBondContact N-O 3.35Å; R96-L114 PolarHBondContact O-N 2.73Å; T98-L114 HydrophobicContact CG2-CD1 4.13Å; T98-L114 HydrophobicContact CG2-CG 4.04Å
115S73.6Confident74.5Confident16 Ų1689 Ų8911%0.11243%0.434CS..EExtended strand (participates in β ladder)trans-83.1149.3171.369.20000111Q127 C128 V130S115-Q127 CarbonylContact O-C 3.59Å; S115-Q127 WeakPolarHBondContact O-CA 3.15Å; S115-C128 PolarHBondContact N-O 3.37Å; S115-C128 PolarHBondContact O-N 2.53Å; S115-C128 PolarHBondContact OG-O 2.78Å; S115-V130 VanDerWaalsContact OG-CG2 3.31Å; S115-V130 WeakPolarHBondContact OG-CG2 3.4Å
116R68.6Low73Confident184 Ų18487.1 Ų87.169%0.69443%0.425SS*.EExtended strand (participates in β ladder)trans-94.9116.2165.7-67.1-178.9-177.9-124.71.9107.4L125R116-L125 HydrophobicContact CB-CD2 4.41Å
117R59.2Low71.8Confident172 Ų17290.6 Ų90.665%0.64944%0.437SS*.EExtended strand (participates in β ladder)trans-102.1120.4168.3-78.3-170.3173.7-171.9-1109.2H126R117-H126 PolarHBondContact N-O 2.95Å
118T57.1Low70.5Confident109 Ų10991.5 Ų91.567%0.66945%0.446SS*.EExtended strand (participates in β ladder)trans-73.7125.3161.447.80000108.1L125T118-L125 HydrophobicContact CG2-CD2 3.49Å; T118-L125 VanDerWaalsContact CG2-CD2 3.49Å
119R57.4Low69.6Low165 Ų16593.9 Ų93.962%0.62347%0.467SS*.EExtended strand (participates in β ladder)trans-78129.2166.4-76.2-170.2175.7-132.61.6108F121 Y122R119-F121 PolarHBondContact O-N 2.87Å; R119-Y122 CarbonylContact O-C 3.58Å; R119-Y122 PolarHBondContact O-N 2.82Å; R119-Y122 VanDerWaalsContact O-N 3.16Å
120P58.6Low68.8Low120 Ų12095.3 Ų95.378%0.77948%0.476SS*.THydrogen-bonded Turntrans-61.5-15.1-176.719.9-29.9000114.2
121F64Low68.1Low183 Ų18399.1 Ų99.180%0.80350%0.496SS*.THydrogen-bonded Turntrans-114.2-0.2-179.4-58.3-71.5000114.6R119R119-F121 PolarHBondContact O-N 2.87Å
122Y50.5Low67.5Low155 Ų155103.5 Ų103.561%0.60852%0.516SS*.EExtended strand (participates in β ladder)trans-143.3127.3179-78-94.4000109.1R119 D124R119-Y122 CarbonylContact O-C 3.58Å; R119-Y122 PolarHBondContact O-N 2.82Å; R119-Y122 VanDerWaalsContact O-N 3.16Å; Y122-D124 PolarHBondContact O-N 3.04Å
123N61.7Low66.8Low172 Ų172106.6 Ų106.692%0.9253%0.532SS*.EExtended strand (participates in β ladder)trans-69.513.6175.9-86.1-9.9000114L125N123-L125 PolarHBondContact O-N 2.99Å
124D51.6Low66.4Low90 Ų90108 Ų10848%0.48154%0.538SS..EExtended strand (participates in β ladder)trans-83116.6178-63.5-37000110.4Y122 H126Y122-D124 PolarHBondContact O-N 3.04Å; D124-H126 PolarHBondContact O-N 3.24Å
125L58.8Low66.1Low93 Ų93110.2 Ų110.249%0.48756%0.557SS.*EExtended strand (participates in β ladder)trans-81.9100170.5-70.5171.9000108.8R116 T118 N123R116-L125 HydrophobicContact CB-CD2 4.41Å; T118-L125 HydrophobicContact CG2-CD2 3.49Å; T118-L125 VanDerWaalsContact CG2-CD2 3.49Å; N123-L125 PolarHBondContact O-N 2.99Å
126H58.4Low66.2Low106 Ų106110.3 Ų110.349%0.49156%0.557SS.*EExtended strand (participates in β ladder)trans-87.8136.7166.3-68.6-65.6000110.2R117 D124R117-H126 PolarHBondContact N-O 2.95Å; D124-H126 PolarHBondContact O-N 3.24Å
127Q64.6Low66.2Low137 Ų137104.3 Ų104.364%0.6455%0.553SS**EExtended strand (participates in β ladder)trans-72.7125.3166.2-63.2-179.41300107.7S115S115-Q127 CarbonylContact O-C 3.59Å; S115-Q127 WeakPolarHBondContact O-CA 3.15Å
128C60.1Low66.2Low43 Ų43103.9 Ų103.929%0.29156%0.558SS.*EExtended strand (participates in β ladder)trans-114.5127.6174.7-63.30000109S115S115-C128 PolarHBondContact N-O 3.37Å; S115-C128 PolarHBondContact O-N 2.53Å; S115-C128 PolarHBondContact OG-O 2.78Å
129S73.6Confident66.1Low107 Ų107100.6 Ų100.675%0.74854%0.538SS*.EExtended strand (participates in β ladder)trans-64.6133.3169.2-53.20000109.8G113G113-S129 CarbonylContact O-C 3.58Å; G113-S129 WeakPolarHBondContact O-CA 3.37Å
130V74.7Confident65.5Low31 Ų3197.6 Ų97.619%0.18854%0.542CS..EExtended strand (participates in β ladder)trans-120137.3175.5174.70000107.9Y95 A112 G113 S115 Q132Y95-V130 HydrophobicContact CE1-CG1 4.22Å; A112-V130 CarbonylContact C-O 3.4Å; A112-V130 VanDerWaalsContact CA-O 3.27Å; A112-V130 WeakPolarHBondContact CA-O 3.38Å; G113-V130 PolarHBondContact N-O 3.48Å; G113-V130 PolarHBondContact O-N 2.65Å; S115-V130 VanDerWaalsContact OG-CG2 3.31Å; S115-V130 WeakPolarHBondContact OG-CG2 3.4Å; V130-Q132 HydrophobicContact CG1-CG 3.87Å
131V78.3Confident64.9Low113 Ų11398 Ų9869%0.68553%0.534SS*.EExtended strand (participates in β ladder)trans-123.7126.4167.5-179.20000108I111I111-V131 CarbonylContact O-C 3.58Å; I111-V131 VanDerWaalsContact O-CA 3.26Å; I111-V131 WeakPolarHBondContact O-CA 3.48Å
132Q79.1Confident63.7Low93 Ų9395.3 Ų95.344%0.43553%0.532SS..EExtended strand (participates in β ladder)trans-128.2150.2176.6-72.1-177.2-35.100109.7Y95 A110 I111 V130Y95-Q132 PolarHBondContact OH-OE1 3.18Å; A110-Q132 CarbonylContact C-O 3.58Å; A110-Q132 WeakPolarHBondContact CA-O 3.38Å; I111-Q132 PolarHBondContact N-O 3.29Å; I111-Q132 PolarHBondContact O-N 3.49Å; V130-Q132 HydrophobicContact CG1-CG 3.87Å
133T79Confident63.1Low92 Ų9293.4 Ų93.456%0.56454%0.542SS*.EExtended strand (participates in β ladder)trans-122147.3170.460.20000110.1L108 L109 A110L108-T133 HydrophobicContact CD2-CG2 4.45Å; L109-T133 CarbonylContact O-C 3.53Å; L109-T133 VanDerWaalsContact O-CA 3.22Å; L109-T133 WeakPolarHBondContact O-CA 3.45Å; A110-T133 HydrophobicContact CB-CG2 4.3Å
134F81Confident62Low34 Ų3490.5 Ų90.515%0.14954%0.535CS..EExtended strand (participates in β ladder)trans-142.6142.7173.563.7-82.9000110.9V79 F89 L108 L109 I111 V136V79-F134 HydrophobicContact CG2-CE2 4.31Å; V79-F134 HydrophobicContact CG2-CZ 4.38Å; F89-F134 HydrophobicContact CD1-CE2 4.11Å; F89-F134 HydrophobicContact CE1-CD2 4.41Å; F89-F134 AromaticContact CE1-CE2 3.9Å; F89-F134 HydrophobicContact CE1-CE2 3.9Å; F89-F134 HydrophobicContact CE1-CZ 4.17Å; F89-F134 HydrophobicContact CZ-CE2 4.44Å; L108-F134 CarbonylContact C-O 3.58Å; L108-F134 WeakPolarHBondContact CA-O 3.4Å; L109-F134 HydrophobicContact CB-CD1 3.98Å; L109-F134 HydrophobicContact CB-CD2 4.44Å; L109-F134 HydrophobicContact CB-CE1 3.43Å; L109-F134 VanDerWaalsContact CB-CE1 3.43Å; L109-F134 HydrophobicContact CB-CE2 3.98Å; L109-F134 HydrophobicContact CB-CG 4.48Å; L109-F134 HydrophobicContact CB-CZ 3.49Å; L109-F134 VanDerWaalsContact CB-CZ 3.49Å; L109-F134 HydrophobicContact CD2-CE1 3.35Å; L109-F134 HydrophobicContact CD2-CE2 4.21Å; L109-F134 HydrophobicContact CD2-CZ 3.12Å; L109-F134 HydrophobicContact CG-CE1 3.62Å; L109-F134 HydrophobicContact CG-CZ 3.75Å; L109-F134 PolarHBondContact N-O 2.88Å; L109-F134 WeakPolarHBondContact O-CD1 3.32Å; L109-F134 PolarHBondContact O-N 3.13Å; I111-F134 HydrophobicContact CD1-CD1 3.67Å; I111-F134 HydrophobicContact CD1-CE1 3.28Å; I111-F134 HydrophobicContact CD1-CZ 4.35Å; I111-F134 HydrophobicContact CG1-CD1 4.18Å; I111-F134 HydrophobicContact CG1-CE1 3.62Å; F134-V136 HydrophobicContact CD2-CG2 3.58Å; F134-V136 HydrophobicContact CE2-CG2 3.33Å
135S78.8Confident61.3Low99 Ų9990.1 Ų90.169%0.69254%0.544SS*.EExtended strand (participates in β ladder)trans-89.8121.6173.4570000109.7Y107Y107-S135 CarbonylContact O-C 3.49Å; Y107-S135 VanDerWaalsContact O-CA 3.25Å; Y107-S135 WeakPolarHBondContact O-CA 3.25Å
136V75.9Confident60.7Low18 Ų1891.1 Ų91.111%0.10956%0.557CS.*PPolyproline II helixtrans-88.4124.4168.3-176.50000107.6V79 W102 Y107 F134V79-V136 HydrophobicContact CG2-CG2 4.49Å; W102-V136 HydrophobicContact CH2-CB 4.02Å; W102-V136 HydrophobicContact CH2-CG2 3.65Å; W102-V136 HydrophobicContact CZ3-CB 4.32Å; W102-V136 HydrophobicContact CZ3-CG2 4.11Å; Y107-V136 WeakPolarHBondContact CB-O 3.09Å; Y107-V136 HydrophobicContact CD1-CB 4.47Å; Y107-V136 PolarHBondContact O-N 2.82Å; F134-V136 HydrophobicContact CD2-CG2 3.58Å; F134-V136 HydrophobicContact CE2-CG2 3.33Å
137G68.8Low60.1Low58 Ų5892.1 Ų92.160%0.59857%0.572SS**PPolyproline II helixtrans-58.2146.9176.500000110.7T139G137-T139 PolarHBondContact O-N 2.82Å; G137-T139 VanDerWaalsContact O-N 3.13Å
138Q59.4Low59.2Low164 Ų16494.5 Ų94.577%0.76658%0.583SS**PPolyproline II helixtrans-55.7123.7172.9-76.6-174.7-2.800108.9Y107 S140Y107-Q138 HydrophobicContact CD2-CG 4.24Å; Y107-Q138 HydrophobicContact CE2-CG 4.17Å; Q138-S140 VanDerWaalsContact C-N 3.35Å; Q138-S140 PolarHBondContact O-N 3.34Å
139T54.4Low59.1Low40 Ų4098.5 Ų98.525%0.24561%0.606CS.*  trans-76.890.8173.749.90000107.1V88 G137 E141V88-T139 HydrophobicContact CB-CG2 4.18Å; V88-T139 HydrophobicContact CG1-CG2 3.92Å; V88-T139 HydrophobicContact CG2-CG2 4.25Å; G137-T139 PolarHBondContact O-N 2.82Å; G137-T139 VanDerWaalsContact O-N 3.13Å; T139-E141 PolarHBondContact O-N 2.79Å
140S44.2Very low58.1Low101 Ų10199.4 Ų99.471%0.70661%0.61SS**  trans-75.4115.4166.547.70000108.2Q138 T142Q138-S140 VanDerWaalsContact C-N 3.35Å; Q138-S140 PolarHBondContact O-N 3.34Å; S140-T142 PolarHBondContact O-N 2.92Å
141E45.8Very low56.8Low130 Ų130104.2 Ų104.261%0.60764%0.639SS**  trans-63.2100.6164.6-74.4-178.815700107.6H81 T139 S143H81-E141 IonicContact CE1-OE1 3.79Å; H81-E141 PolarHBondContact CE1-OE1 3.17Å; H81-E141 VanDerWaalsContact CE1-OE1 3.27Å; T139-E141 PolarHBondContact O-N 2.79Å; E141-S143 VanDerWaalsContact C-N 3.31Å; E141-S143 PolarHBondContact O-N 2.9Å
142T40.4Very low55.5Low125 Ų125108.1 Ų108.177%0.76765%0.65SS**  trans-69.397.6160.341.20000107.2S140 S144S140-T142 PolarHBondContact O-N 2.92Å; T142-S144 PolarHBondContact O-N 2.87Å
143S36.8Very low54.1Low116 Ų116111.4 Ų111.481%0.81167%0.669SS**  trans-51.7101.7161.9176.50000108.3E141 A145E141-S143 VanDerWaalsContact C-N 3.31Å; E141-S143 PolarHBondContact O-N 2.9Å; S143-A145 PolarHBondContact O-N 3.49Å
144S38.6Very low53.1Low111 Ų111119.8 Ų119.878%0.77670%0.702SS**  trans-8998.8168.850.60000107.6T142T142-S144 PolarHBondContact O-N 2.87Å
145A37.2Very low51.7Low82 Ų82124.1 Ų124.168%0.67873%0.73SS**PPolyproline II helixtrans-61.9142.2161.700000108.9S143S143-A145 PolarHBondContact O-N 3.49Å
146P46.9Very low50.2Low114 Ų114125.4 Ų125.474%0.7473%0.732SS**PPolyproline II helixtrans-64143.2174.627.2-32.4000109.8E148P146-E148 PolarHBondContact O-N 2.89Å
147P45.6Very low48.8Very low126 Ų126131.4 Ų131.482%0.81877%0.767SS**PPolyproline II helixtrans-69.5120.6177.627.6-31.2000109.8T149P147-T149 PolarHBondContact O-N 2.76Å
148E46Very low47.6Very low188 Ų188135.7 Ų135.788%0.87978%0.777SS**PPolyproline II helixtrans-62.6118.4166.2-67.4-177.5164.400109P146P146-E148 PolarHBondContact O-N 2.89Å
149T57.4Low46.9Very low126 Ų126133.9 Ų133.977%0.77378%0.777SS**PPolyproline II helixtrans-74.8126.7169.743.70000109.7P147P147-T149 PolarHBondContact O-N 2.76Å
150P52.6Low46.4Very low126 Ų126140.2 Ų140.282%0.81881%0.813SS**PPolyproline II helixtrans-73.3131.1172.6-6.122.2000110.1
151V47.6Very low46.5Very low133 Ų133143 Ų14381%0.80682%0.82SS**PPolyproline II helixtrans-88.5117.1162.7176.10000106.8
152E50.8Low46.6Very low194 Ų194144 Ų14491%0.90784%0.837SS**  trans-130.5136.9160.2-109.5-176.3169.900110
153L48.9Very low47.1Very low162 Ų162145.6 Ų145.685%0.84884%0.843SS**  trans-82151.1-167.3-66.8127000112.5
154E57.2Low48.1Very low269 Ų269148.3 Ų148.3100%1.25785%0.845SS**  trans-108.90141.1-79.4-167.7141.800109.3

Retrieved 154 of 154 residues in 176.4 ms (Link to these results)