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Intraflagellar transport protein 25 homolog

Component of the IFT complex B required for sonic hedgehog/SHH signaling. May mediate transport of SHH components: required for the export of SMO and PTCH1 receptors out of the cilium and the accumulation of GLI2 at the ciliary tip in response to activation of the SHH pathway, suggesting it is involved in the dynamic transport of SHH signaling molecules within the cilium. Not required for ciliary assembly. Its role in intraflagellar transport is mainly seen in tissues rich in ciliated cells such as kidney and testis. Essential for male fertility, spermiogenesis and sperm flagella formation. Plays a role in the early development of the kidney. May be involved in the regulation of ureteric bud initiation.

AlphaFold DB , UniProt , Accession X6R7Y7, Species HUMAN (Homo sapiens, Human), Gene IFT25, Length 214 aa.

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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
1M46.7Very low75.3Confident163 Ų16381.5 Ų81.580%0.80340%0.403SS*.  0140.70-76.5167.872.500109Q168 T169M1-Q168 HydrophobicContact CE-CB 3.69Å; M1-T169 WeakPolarHBondContact CE-O 2.97Å
2R54Low75.9Confident222 Ų22276.6 Ų76.684%0.83839%0.389SS*.  trans-83.4130.3178-67-179.9-176170.71.2108.7
3K64.6Low76.6Confident128 Ų12870.9 Ų70.956%0.55736%0.36SS*.  trans-77.1127.1167.1-70.2162.6156.1-131.30107E166K3-E166 HydrophobicContact CB-CG 4.38Å; K3-E166 WeakPolarHBondContact CD-OE1 3.43Å; K3-E166 WeakPolarHBondContact CD-OE2 3.47Å; K3-E166 WeakPolarHBondContact CE-OE2 3.14Å; K3-E166 VanDerWaalsContact NZ-CD 3.33Å; K3-E166 IonicContact NZ-OE1 2.66Å; K3-E166 PolarHBondContact NZ-OE1 2.61Å; K3-E166 IonicContact NZ-OE2 2.73Å; K3-E166 PolarHBondContact NZ-OE2 3.36Å
4I75.4Confident77.2Confident59 Ų5971.1 Ų71.130%0.30336%0.359SS..EExtended strand (participates in β ladder)trans-111.7127.7175.9-59.3173.4000106.7L6 E11 L165 E166 L167I4-L6 HydrophobicContact CG2-CD2 4.24Å; I4-L6 PolarHBondContact O-N 3.22Å; I4-E11 HydrophobicContact CG2-CG 4.22Å; I4-L165 VanDerWaalsContact O-O 3.05Å; I4-E166 WeakPolarHBondContact O-CA 3.43Å; I4-L167 PolarHBondContact O-N 2.66Å
5D81Confident77.6Confident34 Ų3467.9 Ų67.918%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-82.999.4171.9-171.7-8.5000109.2C7 L8 E11 G164 L165D5-C7 PolarHBondContact O-N 3.47Å; D5-C7 VanDerWaalsContact OD1-CB 3.3Å; D5-C7 WeakPolarHBondContact OD1-CB 3.43Å; D5-C7 PolarHBondContact OD1-N 2.95Å; D5-L8 HydrophobicContact CB-CD1 3.91Å; D5-L8 HydrophobicContact CB-CG 3.93Å; D5-E11 WeakPolarHBondContact O-CG 3.41Å; D5-G164 WeakPolarHBondContact OD2-CA 3.18Å; D5-L165 CarbonylContact C-O 3.23Å; D5-L165 VanDerWaalsContact CA-O 3.27Å; D5-L165 WeakPolarHBondContact CA-O 3.35Å; D5-L165 PolarHBondContact OD1-N 3.49Å
6L81.1Confident77.8Confident20 Ų2066.3 Ų66.311%0.10534%0.337CS..THydrogen-bonded Turntrans-70.4-21.4-177.3-65171.9000112.3I4 L8 S13 F53 V57 L165 L167I4-L6 HydrophobicContact CG2-CD2 4.24Å; I4-L6 PolarHBondContact O-N 3.22Å; L6-L8 PolarHBondContact O-N 3.22Å; L6-S13 PolarHBondContact O-OG 3.1Å; L6-F53 HydrophobicContact CB-CD1 4.43Å; L6-F53 HydrophobicContact CB-CE1 4.09Å; L6-F53 WeakPolarHBondContact O-CE1 3.35Å; L6-V57 HydrophobicContact CD1-CB 3.77Å; L6-V57 HydrophobicContact CD1-CG1 3.85Å; L6-V57 HydrophobicContact CD1-CG2 4.34Å; L6-V57 HydrophobicContact CD2-CG1 4.05Å; L6-V57 HydrophobicContact CG-CG1 4.47Å; L6-L165 HydrophobicContact CB-CB 4.3Å; L6-L165 HydrophobicContact CB-CD2 3.94Å; L6-L165 HydrophobicContact CB-CG 4.19Å; L6-L165 HydrophobicContact CD1-CD2 4.33Å; L6-L165 HydrophobicContact CD1-CG 4.44Å; L6-L165 PolarHBondContact N-O 2.84Å; L6-L167 HydrophobicContact CD1-CB 3.74Å; L6-L167 HydrophobicContact CG-CB 4.4Å
7C83Confident78.1Confident1 Ų165.4 Ų65.41%0.00733%0.332CS..THydrogen-bonded Turntrans-71.9-12-175.8-152.80000112.2D5 S13 I31 I51 A163 L165D5-C7 PolarHBondContact O-N 3.47Å; D5-C7 VanDerWaalsContact OD1-CB 3.3Å; D5-C7 WeakPolarHBondContact OD1-CB 3.43Å; D5-C7 PolarHBondContact OD1-N 2.95Å; C7-S13 VanDerWaalsContact O-CB 3.28Å; C7-S13 WeakPolarHBondContact O-CB 3.45Å; C7-I31 WeakPolarHBondContact O-CB 3.35Å; C7-I31 WeakPolarHBondContact O-CG2 3.07Å; C7-I51 WeakPolarHBondContact SG-CD1 3.01Å; C7-A163 VanDerWaalsContact CB-O 3.23Å; C7-A163 WeakPolarHBondContact CB-O 3.29Å; C7-A163 PolarHBondContact SG-O 3.41Å; C7-L165 HydrophobicContact CB-CB 3.9Å
8L85.8Confident78.3Confident33 Ų3362.2 Ų62.217%0.17332%0.317CS..SBendtrans-71.3140.3-177.9-60.4178.5000112.6D5 L6 S10 E11 S13 I31D5-L8 HydrophobicContact CB-CD1 3.91Å; D5-L8 HydrophobicContact CB-CG 3.93Å; L6-L8 PolarHBondContact O-N 3.22Å; L8-S10 WeakPolarHBondContact CB-OG 3.31Å; L8-S10 PolarHBondContact O-N 3.09Å; L8-E11 HydrophobicContact CB-CG 4.32Å; L8-E11 WeakPolarHBondContact O-CA 3.43Å; L8-E11 WeakPolarHBondContact O-CB 2.87Å; L8-E11 PolarHBondContact O-N 3.31Å; L8-S13 WeakPolarHBondContact O-CB 2.92Å; L8-S13 PolarHBondContact O-N 3.2Å; L8-I31 CarbonylContact C-O 3.55Å; L8-I31 WeakPolarHBondContact CA-O 3.46Å
9S85.6Confident78.4Confident63 Ų6362.1 Ų62.144%0.44132%0.32SS..G310 helixtrans-54.9-35.8169.855.10000112.3E11 G12 S13 I31S9-E11 PolarHBondContact O-N 2.73Å; S9-G12 PolarHBondContact O-N 3.08Å; S9-S13 WeakPolarHBondContact CA-O 3.05Å; S9-I31 PolarHBondContact N-O 3.16Å; S9-I31 PolarHBondContact OG-O 3.38Å; S9-I31 VanDerWaalsContact OG-O 3.12Å
10S86Confident78.5Confident93 Ų9359.4 Ų59.465%0.6531%0.307SS*.G310 helixtrans-63.2-22.7174.760.50000114L8 G12L8-S10 WeakPolarHBondContact CB-OG 3.31Å; L8-S10 PolarHBondContact O-N 3.09Å; S10-G12 VanDerWaalsContact C-N 3.32Å
11E85.1Confident78.7Confident81 Ų8158.9 Ų58.938%0.37931%0.309SS..G310 helixtrans-90.41.1175-65.7-56.9137.400112.8I4 D5 L8 S9I4-E11 HydrophobicContact CG2-CG 4.22Å; D5-E11 WeakPolarHBondContact O-CG 3.41Å; L8-E11 HydrophobicContact CB-CG 4.32Å; L8-E11 WeakPolarHBondContact O-CA 3.43Å; L8-E11 WeakPolarHBondContact O-CB 2.87Å; L8-E11 PolarHBondContact O-N 3.31Å; S9-E11 PolarHBondContact O-N 2.73Å
12G82.9Confident80.4Confident22 Ų2253.2 Ų53.223%0.22728%0.282CS..THydrogen-bonded Turntrans83.640.1-176.300000112.3S9 S10 H54S9-G12 PolarHBondContact O-N 3.08Å; S10-G12 VanDerWaalsContact C-N 3.32Å; G12-H54 PolarHBondContact O-N 2.82Å; G12-H54 VanDerWaalsContact O-N 3.11Å; G12-H54 PolarHBondContact O-ND1 2.78Å
13S84.8Confident81.9Confident3 Ų352.1 Ų52.12%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-98.7146.4165.6-70.40000111.3L6 C7 L8 S9 I31 C52 F53L6-S13 PolarHBondContact O-OG 3.1Å; C7-S13 VanDerWaalsContact O-CB 3.28Å; C7-S13 WeakPolarHBondContact O-CB 3.45Å; L8-S13 WeakPolarHBondContact O-CB 2.92Å; L8-S13 PolarHBondContact O-N 3.2Å; S9-S13 WeakPolarHBondContact CA-O 3.05Å; S13-I31 VanDerWaalsContact O-CD1 3.32Å; S13-I31 WeakPolarHBondContact O-CD1 3.26Å; S13-C52 CarbonylContact C-O 3.49Å; S13-C52 VanDerWaalsContact CA-O 3.25Å; S13-C52 WeakPolarHBondContact CA-O 3.46Å; S13-F53 WeakPolarHBondContact OG-CD1 3.42Å; S13-F53 WeakPolarHBondContact OG-CE1 3.43Å
14E84.5Confident82.9Confident73 Ų7354.3 Ų54.334%0.34130%0.295SS..EExtended strand (participates in β ladder)trans-137.9139.8179.4-74.3179.8-174.400110.9I16 I51 C52 H54E14-I16 HydrophobicContact CB-CG2 4.28Å; E14-I16 PolarHBondContact O-N 3.01Å; E14-I51 CarbonylContact O-C 3.35Å; E14-I51 VanDerWaalsContact O-CA 3.31Å; E14-I51 WeakPolarHBondContact O-CA 3.18Å; E14-C52 PolarHBondContact N-O 2.79Å; E14-C52 PolarHBondContact O-N 2.76Å; E14-H54 IonicContact OE1-CE1 3.74Å; E14-H54 PolarHBondContact OE1-CE1 3.12Å; E14-H54 VanDerWaalsContact OE1-CE1 3.27Å; E14-H54 IonicContact OE1-NE2 3.65Å; E14-H54 IonicContact OE2-CE1 3.75Å; E14-H54 IonicContact OE2-NE2 2.61Å
15V83.6Confident83.3Confident23 Ų2354 Ų5414%0.13929%0.293CS..EExtended strand (participates in β ladder)trans-83.5108.7168-177.20000108.1L17 A18 P27 I31 F49 I50 I51V15-L17 WeakPolarHBondContact CG1-O 3.35Å; V15-A18 HydrophobicContact CG1-CB 4.41Å; V15-P27 HydrophobicContact CB-CB 4.44Å; V15-P27 HydrophobicContact CG1-CB 3.83Å; V15-I31 HydrophobicContact CG2-CD1 4.03Å; V15-I31 HydrophobicContact CG2-CG1 4.14Å; V15-I31 HydrophobicContact CG2-CG2 4Å; V15-F49 HydrophobicContact CG1-CB 4.48Å; V15-I50 CarbonylContact C-O 3.46Å; V15-I50 WeakPolarHBondContact CA-O 3.34Å; V15-I51 HydrophobicContact CG2-CG1 4.4Å
16I81.1Confident83.7Confident43 Ų4353.9 Ų53.922%0.22129%0.294CS..EExtended strand (participates in β ladder)trans-96.6-13.6-175.166.3170.2000113.3E14 I50 C52 P82 F148E14-I16 HydrophobicContact CB-CG2 4.28Å; E14-I16 PolarHBondContact O-N 3.01Å; I16-I50 HydrophobicContact CD1-CB 4.31Å; I16-I50 HydrophobicContact CD1-CG2 3.62Å; I16-I50 HydrophobicContact CG1-CB 3.74Å; I16-I50 HydrophobicContact CG1-CG2 3.54Å; I16-I50 PolarHBondContact N-O 3.49Å; I16-C52 HydrophobicContact CD1-CB 4.29Å; I16-C52 HydrophobicContact CG2-CB 3.61Å; I16-P82 HydrophobicContact CD1-CB 4.31Å; I16-F148 HydrophobicContact CD1-CD1 3.61Å; I16-F148 HydrophobicContact CD1-CE1 3.6Å
17L81.8Confident83.9Confident50 Ų5053.1 Ų53.126%0.26229%0.29SS..EExtended strand (participates in β ladder)trans-149.4139.3176.1-176.7146.6000108.6V15 E48 F49 I50V15-L17 WeakPolarHBondContact CG1-O 3.35Å; L17-E48 HydrophobicContact CD2-CG 4.02Å; L17-F49 CarbonylContact O-C 3.41Å; L17-F49 WeakPolarHBondContact O-CA 3.5Å; L17-F49 WeakPolarHBondContact O-CB 3.48Å; L17-I50 HydrophobicContact CB-CB 3.99Å; L17-I50 HydrophobicContact CB-CD1 3.99Å; L17-I50 HydrophobicContact CB-CG1 3.91Å; L17-I50 HydrophobicContact CD1-CD1 4.14Å; L17-I50 HydrophobicContact CD2-CD1 4.46Å; L17-I50 HydrophobicContact CD2-CG1 4.24Å; L17-I50 HydrophobicContact CG-CD1 4.43Å; L17-I50 PolarHBondContact O-N 3.29Å
18A83Confident84.2Confident8 Ų857 Ų577%0.06631%0.308CS..EExtended strand (participates in β ladder)trans-149.4131.3165.500000108.2V15 S20 P27 W39 E48 F49 W136V15-A18 HydrophobicContact CG1-CB 4.41Å; A18-S20 PolarHBondContact O-N 3.05Å; A18-P27 HydrophobicContact CB-CB 3.69Å; A18-P27 HydrophobicContact CB-CG 3.36Å; A18-W39 HydrophobicContact CB-CZ2 4.41Å; A18-E48 WeakPolarHBondContact CA-O 3Å; A18-F49 HydrophobicContact CB-CB 4.21Å; A18-W136 WeakPolarHBondContact O-CZ2 2.88Å
19T80.2Confident84.3Confident61 Ų6156.4 Ų56.437%0.37431%0.305SS..SBendtrans-74.2-15.8179.544.20000114.2Q47 E48T19-Q47 VanDerWaalsContact OG1-CA 3.29Å; T19-Q47 WeakPolarHBondContact OG1-CA 3.44Å; T19-Q47 PolarHBondContact OG1-OE1 2.74Å; T19-E48 HydrophobicContact CG2-CG 3.33Å; T19-E48 PolarHBondContact N-O 2.77Å; T19-E48 PolarHBondContact OG1-N 2.8Å; T19-E48 PolarHBondContact OG1-O 2.81Å
20S80.6Confident84.3Confident7 Ų753.4 Ų53.45%0.04928%0.284CS..  trans-132.9139.2174.3-172.30000109.4A18 W39 T41 T42A18-S20 PolarHBondContact O-N 3.05Å; S20-W39 PolarHBondContact O-NE1 3.06Å; S20-T41 WeakPolarHBondContact OG-CA 3.41Å; S20-T42 PolarHBondContact OG-N 3Å; S20-T42 PolarHBondContact OG-OG1 2.9Å
21S81.9Confident84.3Confident50 Ų5049.4 Ų49.435%0.3526%0.255SS..  trans-135.8130.3174.2-175.40000107.7
22D82.5Confident84.3Confident43 Ų4348.3 Ų48.323%0.2325%0.252CS..  trans-120.9135.3176.5-179.8-83.5000107.7K24 H25 P26 T40D22-K24 PolarHBondContact O-N 3.05Å; D22-K24 WeakPolarHBondContact OD1-CA 3.49Å; D22-K24 WeakPolarHBondContact OD1-CB 3.48Å; D22-K24 PolarHBondContact OD1-N 3.15Å; D22-H25 HydrophobicContact CB-CB 4.35Å; D22-H25 CarbonylContact O-C 3.57Å; D22-H25 PolarHBondContact O-N 2.82Å; D22-H25 IonicContact OD1-CD2 2.74Å; D22-H25 PolarHBondContact OD1-N 2.74Å; D22-P26 VanDerWaalsContact O-CA 3.25Å; D22-P26 WeakPolarHBondContact O-CA 3.42Å; D22-P26 WeakPolarHBondContact O-CB 2.95Å; D22-P26 VanDerWaalsContact O-N 3.11Å; D22-T40 HydrophobicContact CB-CG2 3.81Å
23E84.8Confident84.3Confident200 Ų20048.8 Ų48.894%0.93526%0.256SS*.SBendtrans-62-29.1-175.5-67.6-178.4173.700113.4
24K86.3Confident84.2Confident173 Ų17351.8 Ų51.875%0.75227%0.273SS*.SBendtrans-92.9-26.3-178.9-63.6178.7-178.3174.30112.4D22 P26D22-K24 PolarHBondContact O-N 3.05Å; D22-K24 WeakPolarHBondContact OD1-CA 3.49Å; D22-K24 WeakPolarHBondContact OD1-CB 3.48Å; D22-K24 PolarHBondContact OD1-N 3.15Å; K24-P26 VanDerWaalsContact C-CD 3.43Å
25H84.9Confident83.9Confident54 Ų5453.1 Ų53.125%0.2529%0.288CS..SBendtrans-131.160.5-175.4-61.1-67.3000110.8D22 F38 T40D22-H25 HydrophobicContact CB-CB 4.35Å; D22-H25 CarbonylContact O-C 3.57Å; D22-H25 PolarHBondContact O-N 2.82Å; D22-H25 IonicContact OD1-CD2 2.74Å; D22-H25 PolarHBondContact OD1-N 2.74Å; H25-F38 WeakPolarHBondContact CA-O 3.34Å; H25-F38 HydrophobicContact CB-CD2 4.41Å; H25-F38 HydrophobicContact CB-CE2 4.33Å; H25-F38 WeakPolarHBondContact CB-O 3.35Å; H25-F38 AromaticContact CE1-CE1 3.56Å; H25-F38 AromaticContact CE1-CE2 3.67Å; H25-F38 AromaticContact CE1-CZ 3.16Å; H25-F38 WeakPolarHBondContact CE1-CZ 3.42Å; H25-F38 AromaticContact CG-CE2 3.69Å; H25-F38 AromaticContact ND1-CD2 3.8Å; H25-F38 AromaticContact ND1-CE1 3.68Å; H25-F38 AromaticContact ND1-CE2 3.39Å; H25-F38 WeakPolarHBondContact ND1-CE2 3.33Å; H25-F38 AromaticContact ND1-CZ 3.33Å; H25-F38 VanDerWaalsContact ND1-CZ 3.33Å; H25-F38 WeakPolarHBondContact ND1-CZ 3.4Å; H25-F38 AromaticContact NE2-CZ 3.75Å; H25-T40 HydrophobicContact CB-CG2 3.49Å; H25-T40 VanDerWaalsContact CB-CG2 3.49Å; H25-T40 PolarHBondContact O-N 2.81Å
26P88.8Confident83.8Confident30 Ų3059.1 Ų59.120%0.19531%0.314CS..  trans-78163.4-170.138.7-44000111.6D22 K24 E28 N29D22-P26 VanDerWaalsContact O-CA 3.25Å; D22-P26 WeakPolarHBondContact O-CA 3.42Å; D22-P26 WeakPolarHBondContact O-CB 2.95Å; D22-P26 VanDerWaalsContact O-N 3.11Å; K24-P26 VanDerWaalsContact C-CD 3.43Å; P26-E28 WeakPolarHBondContact CB-OE2 3.45Å; P26-E28 PolarHBondContact O-N 2.93Å; P26-E28 VanDerWaalsContact O-N 3.16Å; P26-N29 WeakPolarHBondContact CD-ND2 3.3Å; P26-N29 VanDerWaalsContact O-CB 3.31Å; P26-N29 WeakPolarHBondContact O-CB 3.23Å; P26-N29 PolarHBondContact O-N 2.98Å; P26-N29 VanDerWaalsContact O-N 3.13Å
27P85.4Confident84Confident4 Ų458.6 Ų58.63%0.02631%0.313CS..G310 helixtrans-59.1-25.7-175.5-21.931.9000114.8V15 A18 N29 I30 W39V15-P27 HydrophobicContact CB-CB 4.44Å; V15-P27 HydrophobicContact CG1-CB 3.83Å; A18-P27 HydrophobicContact CB-CB 3.69Å; A18-P27 HydrophobicContact CB-CG 3.36Å; P27-N29 PolarHBondContact O-N 3.17Å; P27-I30 VanDerWaalsContact O-CB 3.28Å; P27-I30 WeakPolarHBondContact O-CB 3.35Å; P27-I30 WeakPolarHBondContact O-CD1 3.27Å; P27-I30 WeakPolarHBondContact O-CG1 3.46Å; P27-I30 PolarHBondContact O-N 3.14Å; P27-W39 VanDerWaalsContact CA-CD1 3.47Å; P27-W39 HydrophobicContact CB-CG 4.5Å
28E88.1Confident84.2Confident83 Ų8359.1 Ų59.139%0.38831%0.313SS..G310 helixtrans-62.6-24.1178.8-61.274.9-164.800112.1P26 I30 I31 D32P26-E28 WeakPolarHBondContact CB-OE2 3.45Å; P26-E28 PolarHBondContact O-N 2.93Å; P26-E28 VanDerWaalsContact O-N 3.16Å; E28-I30 PolarHBondContact O-N 3.34Å; E28-I30 VanDerWaalsContact O-N 3.12Å; E28-I31 VanDerWaalsContact O-CG1 3.24Å; E28-I31 WeakPolarHBondContact O-CG1 3.38Å; E28-I31 PolarHBondContact O-N 3.28Å; E28-D32 PolarHBondContact O-N 3.42Å
29N88.6Confident84.4Confident21 Ų2158.8 Ų58.811%0.11231%0.31CS..G310 helixtrans-62.8-15.3173.1-67.2-4.7000113P26 P27 I31 F38P26-N29 WeakPolarHBondContact CD-ND2 3.3Å; P26-N29 VanDerWaalsContact O-CB 3.31Å; P26-N29 WeakPolarHBondContact O-CB 3.23Å; P26-N29 PolarHBondContact O-N 2.98Å; P26-N29 VanDerWaalsContact O-N 3.13Å; P27-N29 PolarHBondContact O-N 3.17Å; N29-I31 PolarHBondContact O-N 3.13Å; N29-F38 PolarHBondContact ND2-O 3.23Å
30I85.9Confident84.5Confident0 Ų056.5 Ų56.50%030%0.296CS..G310 helixtrans-66.7-32174.2-62.4169.2000110.7P27 E28 W39 F49 I51 A163P27-I30 VanDerWaalsContact O-CB 3.28Å; P27-I30 WeakPolarHBondContact O-CB 3.35Å; P27-I30 WeakPolarHBondContact O-CD1 3.27Å; P27-I30 WeakPolarHBondContact O-CG1 3.46Å; P27-I30 PolarHBondContact O-N 3.14Å; E28-I30 PolarHBondContact O-N 3.34Å; E28-I30 VanDerWaalsContact O-N 3.12Å; I30-W39 HydrophobicContact CD1-CB 3.92Å; I30-W39 HydrophobicContact CD1-CD2 3.94Å; I30-W39 HydrophobicContact CD1-CE3 3.77Å; I30-W39 HydrophobicContact CD1-CG 4.04Å; I30-W39 HydrophobicContact CG1-CB 3.58Å; I30-W39 HydrophobicContact CG1-CE3 4.48Å; I30-W39 HydrophobicContact CG1-CG 4.25Å; I30-F49 HydrophobicContact CD1-CD1 4.21Å; I30-F49 HydrophobicContact CD1-CD2 3.97Å; I30-F49 HydrophobicContact CD1-CE1 4.29Å; I30-F49 HydrophobicContact CD1-CE2 4.07Å; I30-F49 HydrophobicContact CD1-CG 4.05Å; I30-F49 HydrophobicContact CD1-CZ 4.23Å; I30-F49 HydrophobicContact CG2-CE2 4.38Å; I30-I51 HydrophobicContact CG2-CD1 3.99Å; I30-A163 HydrophobicContact CG2-CB 4.01Å
31I86.3Confident84.3Confident8 Ų856.9 Ų56.94%0.04130%0.298CS..SBendtrans-120.18.2-167.263.2165.5000113.2C7 L8 S9 S13 V15 E28 N29 I51C7-I31 WeakPolarHBondContact O-CB 3.35Å; C7-I31 WeakPolarHBondContact O-CG2 3.07Å; L8-I31 CarbonylContact C-O 3.55Å; L8-I31 WeakPolarHBondContact CA-O 3.46Å; S9-I31 PolarHBondContact N-O 3.16Å; S9-I31 PolarHBondContact OG-O 3.38Å; S9-I31 VanDerWaalsContact OG-O 3.12Å; S13-I31 VanDerWaalsContact O-CD1 3.32Å; S13-I31 WeakPolarHBondContact O-CD1 3.26Å; V15-I31 HydrophobicContact CG2-CD1 4.03Å; V15-I31 HydrophobicContact CG2-CG1 4.14Å; V15-I31 HydrophobicContact CG2-CG2 4Å; E28-I31 VanDerWaalsContact O-CG1 3.24Å; E28-I31 WeakPolarHBondContact O-CG1 3.38Å; E28-I31 PolarHBondContact O-N 3.28Å; N29-I31 PolarHBondContact O-N 3.13Å; I31-I51 HydrophobicContact CG2-CD1 3.97Å; I31-I51 HydrophobicContact CG2-CG2 4.46Å
32D85.5Confident83.8Confident59 Ų5958.3 Ų58.332%0.31631%0.305SS..SBendtrans-83.1-15.5-177.671-1.8000113.4E28 N34 T37E28-D32 PolarHBondContact O-N 3.42Å; D32-N34 PolarHBondContact O-N 2.87Å; D32-N34 PolarHBondContact OD1-N 3.45Å; D32-T37 VanDerWaalsContact CG-OG1 3.25Å; D32-T37 PolarHBondContact OD1-OG1 2.6Å; D32-T37 WeakPolarHBondContact OD2-CB 3.41Å; D32-T37 PolarHBondContact OD2-OG1 3.16Å
33G81.2Confident83Confident31 Ų3159 Ų5932%0.3232%0.322SS..  trans73.810.5-178.600000114.6
34N83.3Confident81.7Confident67 Ų6757 Ų5736%0.35832%0.315SS..  trans-95.3116179-178.6-2.5000110D32 E36 T37D32-N34 PolarHBondContact O-N 2.87Å; D32-N34 PolarHBondContact OD1-N 3.45Å; N34-E36 PolarHBondContact O-N 3.36Å; N34-E36 VanDerWaalsContact O-N 3.15Å; N34-E36 WeakPolarHBondContact OD1-CB 3.47Å; N34-E36 PolarHBondContact OD1-N 2.84Å; N34-T37 HydrophobicContact CB-CG2 4.31Å; N34-T37 WeakPolarHBondContact CB-OG1 3.28Å; N34-T37 PolarHBondContact O-N 2.87Å; N34-T37 PolarHBondContact O-OG1 2.83Å
35P78.2Confident80.7Confident101 Ų10151.8 Ų51.866%0.65629%0.292SS*.THydrogen-bonded Turntrans-70.4-11.8-177.330-36.8000113.9
36E82.2Confident80.1Confident149 Ų14952 Ų5270%0.69630%0.298SS*.THydrogen-bonded Turntrans-89.8-12.4178.5-58.3-63.6143.800112.6N34N34-E36 PolarHBondContact O-N 3.36Å; N34-E36 VanDerWaalsContact O-N 3.15Å; N34-E36 WeakPolarHBondContact OD1-CB 3.47Å; N34-E36 PolarHBondContact OD1-N 2.84Å
37T85.4Confident79.4Confident32 Ų3251 Ų5120%0.19629%0.291CS..  trans-101.5155.8175.955.80000110.1D32 N34D32-T37 VanDerWaalsContact CG-OG1 3.25Å; D32-T37 PolarHBondContact OD1-OG1 2.6Å; D32-T37 WeakPolarHBondContact OD2-CB 3.41Å; D32-T37 PolarHBondContact OD2-OG1 3.16Å; N34-T37 HydrophobicContact CB-CG2 4.31Å; N34-T37 WeakPolarHBondContact CB-OG1 3.28Å; N34-T37 PolarHBondContact O-N 2.87Å; N34-T37 PolarHBondContact O-OG1 2.83Å
38F84.8Confident79.1Confident60 Ų6054 Ų5426%0.26331%0.305SS..  trans-155155.417957.5-89.8000109.5H25 N29 H159 V160H25-F38 WeakPolarHBondContact CA-O 3.34Å; H25-F38 HydrophobicContact CB-CD2 4.41Å; H25-F38 HydrophobicContact CB-CE2 4.33Å; H25-F38 WeakPolarHBondContact CB-O 3.35Å; H25-F38 AromaticContact CE1-CE1 3.56Å; H25-F38 AromaticContact CE1-CE2 3.67Å; H25-F38 AromaticContact CE1-CZ 3.16Å; H25-F38 WeakPolarHBondContact CE1-CZ 3.42Å; H25-F38 AromaticContact CG-CE2 3.69Å; H25-F38 AromaticContact ND1-CD2 3.8Å; H25-F38 AromaticContact ND1-CE1 3.68Å; H25-F38 AromaticContact ND1-CE2 3.39Å; H25-F38 WeakPolarHBondContact ND1-CE2 3.33Å; H25-F38 AromaticContact ND1-CZ 3.33Å; H25-F38 VanDerWaalsContact ND1-CZ 3.33Å; H25-F38 WeakPolarHBondContact ND1-CZ 3.4Å; H25-F38 AromaticContact NE2-CZ 3.75Å; N29-F38 PolarHBondContact ND2-O 3.23Å; F38-H159 HydrophobicContact CD2-CB 4.05Å; F38-H159 HydrophobicContact CE2-CB 4.31Å; F38-H159 AromaticContact CE2-ND1 3.61Å; F38-V160 WeakPolarHBondContact CA-O 3.2Å; F38-V160 WeakPolarHBondContact CB-O 3.34Å
39W87.1Confident78.8Confident1 Ų150.4 Ų50.40%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-88.7135.9166.5171.660.1000109.3A18 S20 P27 I30 T41 Q47 F49 M155 V160A18-W39 HydrophobicContact CB-CZ2 4.41Å; S20-W39 PolarHBondContact O-NE1 3.06Å; P27-W39 VanDerWaalsContact CA-CD1 3.47Å; P27-W39 HydrophobicContact CB-CG 4.5Å; I30-W39 HydrophobicContact CD1-CB 3.92Å; I30-W39 HydrophobicContact CD1-CD2 3.94Å; I30-W39 HydrophobicContact CD1-CE3 3.77Å; I30-W39 HydrophobicContact CD1-CG 4.04Å; I30-W39 HydrophobicContact CG1-CB 3.58Å; I30-W39 HydrophobicContact CG1-CE3 4.48Å; I30-W39 HydrophobicContact CG1-CG 4.25Å; W39-T41 HydrophobicContact CD2-CG2 4.44Å; W39-T41 HydrophobicContact CE3-CG2 4.37Å; W39-T41 HydrophobicContact CH2-CG2 3.34Å; W39-T41 HydrophobicContact CZ2-CG2 3.4Å; W39-T41 VanDerWaalsContact CZ2-CG2 3.4Å; W39-T41 HydrophobicContact CZ3-CG2 3.85Å; W39-Q47 HydrophobicContact CH2-CB 4.38Å; W39-F49 HydrophobicContact CE3-CD1 4.12Å; W39-F49 HydrophobicContact CE3-CE1 4.32Å; W39-F49 AromaticContact CH2-CD1 3.82Å; W39-F49 HydrophobicContact CH2-CD1 3.82Å; W39-F49 AromaticContact CZ3-CD1 3.43Å; W39-F49 HydrophobicContact CZ3-CD1 3.43Å; W39-F49 VanDerWaalsContact CZ3-CD1 3.43Å; W39-F49 AromaticContact CZ3-CE1 3.78Å; W39-F49 HydrophobicContact CZ3-CE1 3.78Å; W39-F49 HydrophobicContact CZ3-CG 4.45Å; W39-M155 HydrophobicContact CZ3-CE 4.04Å; W39-M155 HydrophobicContact CZ3-SD 4.13Å; W39-V160 HydrophobicContact CE3-CB 4.02Å; W39-V160 HydrophobicContact CE3-CG2 3.56Å; W39-V160 HydrophobicContact CZ3-CG2 3.91Å; W39-V160 PolarHBondContact N-O 2.87Å; W39-V160 PolarHBondContact O-N 3.15Å
40T82.4Confident78.4Confident13 Ų1350.3 Ų50.38%0.0829%0.287CS..EExtended strand (participates in β ladder)trans-120.9144.2174.5-160.60000110.3D22 H25 H159D22-T40 HydrophobicContact CB-CG2 3.81Å; H25-T40 HydrophobicContact CB-CG2 3.49Å; H25-T40 VanDerWaalsContact CB-CG2 3.49Å; H25-T40 PolarHBondContact O-N 2.81Å; T40-H159 PolarHBondContact OG1-CE1 3.21Å; T40-H159 VanDerWaalsContact OG1-CE1 3.28Å; T40-H159 PolarHBondContact OG1-ND1 2.91Å
41T76.8Confident78.3Confident16 Ų1650.3 Ų50.310%0.09829%0.287CS..  trans-97.9134.3173.658.60000110S20 W39 Q47 C158S20-T41 WeakPolarHBondContact OG-CA 3.41Å; W39-T41 HydrophobicContact CD2-CG2 4.44Å; W39-T41 HydrophobicContact CE3-CG2 4.37Å; W39-T41 HydrophobicContact CH2-CG2 3.34Å; W39-T41 HydrophobicContact CZ2-CG2 3.4Å; W39-T41 VanDerWaalsContact CZ2-CG2 3.4Å; W39-T41 HydrophobicContact CZ3-CG2 3.85Å; T41-Q47 HydrophobicContact CG2-CB 3.87Å; T41-Q47 HydrophobicContact CG2-CG 3.66Å; T41-C158 PolarHBondContact N-O 3.23Å; T41-C158 PolarHBondContact OG1-O 3.29Å
42T71.8Confident78Confident80 Ų8050 Ų5049%0.49129%0.285SS..  trans-103.8128.5168.256.60000109.7S20S20-T42 PolarHBondContact OG-N 3Å; S20-T42 PolarHBondContact OG-OG1 2.9Å
43G65.7Low77.8Confident56 Ų5647.3 Ų47.358%0.57727%0.271SS*.SBendtrans91.4-140.3170.700000117.3F45G43-F45 WeakPolarHBondContact O-CE2 3.49Å
44M56.8Low77.4Confident160 Ų16048.7 Ų48.779%0.78827%0.268SS*.SBendtrans-72.2153.6-160-69.9-72-69.200114.9Q47M44-Q47 PolarHBondContact O-NE2 3.13Å
45F65.2Low77Confident63 Ų6352.1 Ų52.128%0.27628%0.28SS..SBendtrans-105.3152.9174.5-61-71.7000111.6G43 Q47 M155 G156 F157G43-F45 WeakPolarHBondContact O-CE2 3.49Å; F45-Q47 HydrophobicContact CD1-CG 4.08Å; F45-Q47 HydrophobicContact CE1-CG 4.11Å; F45-M155 VanDerWaalsContact CD1-C 3.41Å; F45-M155 HydrophobicContact CD1-CB 4.38Å; F45-M155 WeakPolarHBondContact CD1-O 3.27Å; F45-M155 HydrophobicContact CE1-CB 4.33Å; F45-M155 WeakPolarHBondContact CG-O 3.34Å; F45-G156 WeakPolarHBondContact CD2-O 3.34Å; F45-G156 WeakPolarHBondContact CE1-O 3.04Å; F45-G156 WeakPolarHBondContact CE2-O 3.41Å; F45-G156 WeakPolarHBondContact CZ-O 3.48Å; F45-F157 HydrophobicContact CD2-CZ 4.42Å; F45-F157 VanDerWaalsContact CE1-CA 3.45Å; F45-F157 VanDerWaalsContact CE1-N 3.28Å; F45-F157 AromaticContact CE2-CD1 3.45Å; F45-F157 HydrophobicContact CE2-CD1 3.45Å; F45-F157 VanDerWaalsContact CE2-CD1 3.45Å; F45-F157 AromaticContact CE2-CD2 3.99Å; F45-F157 HydrophobicContact CE2-CD2 3.99Å; F45-F157 AromaticContact CE2-CE1 3.39Å; F45-F157 HydrophobicContact CE2-CE1 3.39Å; F45-F157 AromaticContact CE2-CE2 3.88Å; F45-F157 HydrophobicContact CE2-CE2 3.88Å; F45-F157 AromaticContact CE2-CG 3.73Å; F45-F157 HydrophobicContact CE2-CG 3.73Å; F45-F157 AromaticContact CE2-CZ 3.58Å; F45-F157 HydrophobicContact CE2-CZ 3.58Å; F45-F157 HydrophobicContact CZ-CB 3.97Å; F45-F157 AromaticContact CZ-CD1 3.37Å; F45-F157 HydrophobicContact CZ-CD1 3.37Å; F45-F157 HydrophobicContact CZ-CD2 4.28Å; F45-F157 AromaticContact CZ-CE1 3.82Å; F45-F157 HydrophobicContact CZ-CE1 3.82Å; F45-F157 AromaticContact CZ-CG 3.62Å; F45-F157 HydrophobicContact CZ-CG 3.62Å; F45-F157 HydrophobicContact CZ-CZ 4.37Å
46P71.8Confident76.5Confident57 Ų5754.2 Ų54.237%0.3728%0.281SS..  cis-79.8160.40.635.2-37.2000113.5K154P46-K154 HydrophobicContact CB-CG 3.61Å
47Q76Confident76Confident10 Ų1048.3 Ų48.35%0.04726%0.255CS..  trans-110.4150.4172.1-64.9-75.9-20.900108.8T19 W39 T41 M44 F45 V153 M155T19-Q47 VanDerWaalsContact OG1-CA 3.29Å; T19-Q47 WeakPolarHBondContact OG1-CA 3.44Å; T19-Q47 PolarHBondContact OG1-OE1 2.74Å; W39-Q47 HydrophobicContact CH2-CB 4.38Å; T41-Q47 HydrophobicContact CG2-CB 3.87Å; T41-Q47 HydrophobicContact CG2-CG 3.66Å; M44-Q47 PolarHBondContact O-NE2 3.13Å; F45-Q47 HydrophobicContact CD1-CG 4.08Å; F45-Q47 HydrophobicContact CE1-CG 4.11Å; Q47-V153 CarbonylContact O-C 3.54Å; Q47-M155 HydrophobicContact CB-CB 4.48Å
48E77.3Confident75.5Confident68 Ų6855.2 Ų55.232%0.31828%0.277SS..  trans-150.7153-179.658.2-175-167.300110.6L17 A18 T19 L152L17-E48 HydrophobicContact CD2-CG 4.02Å; A18-E48 WeakPolarHBondContact CA-O 3Å; T19-E48 HydrophobicContact CG2-CG 3.33Å; T19-E48 PolarHBondContact N-O 2.77Å; T19-E48 PolarHBondContact OG1-N 2.8Å; T19-E48 PolarHBondContact OG1-O 2.81Å; E48-L152 HydrophobicContact CB-CD1 4.35Å; E48-L152 HydrophobicContact CB-CG 4.36Å; E48-L152 VanDerWaalsContact OE2-CD1 3.27Å; E48-L152 WeakPolarHBondContact OE2-CD1 3.28Å
49F81.8Confident75.2Confident6 Ų653 Ų533%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-144.5161.6171.262.1-90.1000110.6V15 L17 A18 I30 W39 I51 F151 V153 M155V15-F49 HydrophobicContact CG1-CB 4.48Å; L17-F49 CarbonylContact O-C 3.41Å; L17-F49 WeakPolarHBondContact O-CA 3.5Å; L17-F49 WeakPolarHBondContact O-CB 3.48Å; A18-F49 HydrophobicContact CB-CB 4.21Å; I30-F49 HydrophobicContact CD1-CD1 4.21Å; I30-F49 HydrophobicContact CD1-CD2 3.97Å; I30-F49 HydrophobicContact CD1-CE1 4.29Å; I30-F49 HydrophobicContact CD1-CE2 4.07Å; I30-F49 HydrophobicContact CD1-CG 4.05Å; I30-F49 HydrophobicContact CD1-CZ 4.23Å; I30-F49 HydrophobicContact CG2-CE2 4.38Å; W39-F49 HydrophobicContact CE3-CD1 4.12Å; W39-F49 HydrophobicContact CE3-CE1 4.32Å; W39-F49 AromaticContact CH2-CD1 3.82Å; W39-F49 HydrophobicContact CH2-CD1 3.82Å; W39-F49 AromaticContact CZ3-CD1 3.43Å; W39-F49 HydrophobicContact CZ3-CD1 3.43Å; W39-F49 VanDerWaalsContact CZ3-CD1 3.43Å; W39-F49 AromaticContact CZ3-CE1 3.78Å; W39-F49 HydrophobicContact CZ3-CE1 3.78Å; W39-F49 HydrophobicContact CZ3-CG 4.45Å; F49-I51 HydrophobicContact CD2-CD1 4.31Å; F49-I51 HydrophobicContact CD2-CG1 3.99Å; F49-I51 HydrophobicContact CE2-CD1 3.88Å; F49-I51 HydrophobicContact CE2-CG1 4.03Å; F49-F151 HydrophobicContact CD2-CB 4.24Å; F49-F151 HydrophobicContact CE2-CB 3.62Å; F49-F151 HydrophobicContact CE2-CG 4.35Å; F49-F151 HydrophobicContact CZ-CB 3.98Å; F49-F151 CarbonylContact O-C 3.51Å; F49-V153 HydrophobicContact CE1-CB 4.03Å; F49-V153 HydrophobicContact CE1-CG2 3.67Å; F49-V153 HydrophobicContact CZ-CG2 3.77Å; F49-M155 HydrophobicContact CE1-CE 4.13Å
50I81.8Confident74.8Confident20 Ų2054.7 Ų54.710%0.10328%0.276CS..EExtended strand (participates in β ladder)trans-129.5130.3179.8-57.9-179.5000109V15 I16 L17 P82 F85 A150V15-I50 CarbonylContact C-O 3.46Å; V15-I50 WeakPolarHBondContact CA-O 3.34Å; I16-I50 HydrophobicContact CD1-CB 4.31Å; I16-I50 HydrophobicContact CD1-CG2 3.62Å; I16-I50 HydrophobicContact CG1-CB 3.74Å; I16-I50 HydrophobicContact CG1-CG2 3.54Å; I16-I50 PolarHBondContact N-O 3.49Å; L17-I50 HydrophobicContact CB-CB 3.99Å; L17-I50 HydrophobicContact CB-CD1 3.99Å; L17-I50 HydrophobicContact CB-CG1 3.91Å; L17-I50 HydrophobicContact CD1-CD1 4.14Å; L17-I50 HydrophobicContact CD2-CD1 4.46Å; L17-I50 HydrophobicContact CD2-CG1 4.24Å; L17-I50 HydrophobicContact CG-CD1 4.43Å; L17-I50 PolarHBondContact O-N 3.29Å; I50-P82 HydrophobicContact CD1-CB 4.38Å; I50-F85 HydrophobicContact CD1-CZ 4.32Å; I50-A150 HydrophobicContact CB-CB 4.23Å; I50-A150 HydrophobicContact CD1-CB 4.14Å; I50-A150 HydrophobicContact CG1-CB 3.74Å; I50-A150 HydrophobicContact CG2-CB 3.84Å
51I82.1Confident74.7Confident0 Ų055.6 Ų55.60%028%0.278CS..EExtended strand (participates in β ladder)trans-107.1122.1175-56-175.9000109C7 E14 V15 I30 I31 F49 F53 F149 F151C7-I51 WeakPolarHBondContact SG-CD1 3.01Å; E14-I51 CarbonylContact O-C 3.35Å; E14-I51 VanDerWaalsContact O-CA 3.31Å; E14-I51 WeakPolarHBondContact O-CA 3.18Å; V15-I51 HydrophobicContact CG2-CG1 4.4Å; I30-I51 HydrophobicContact CG2-CD1 3.99Å; I31-I51 HydrophobicContact CG2-CD1 3.97Å; I31-I51 HydrophobicContact CG2-CG2 4.46Å; F49-I51 HydrophobicContact CD2-CD1 4.31Å; F49-I51 HydrophobicContact CD2-CG1 3.99Å; F49-I51 HydrophobicContact CE2-CD1 3.88Å; F49-I51 HydrophobicContact CE2-CG1 4.03Å; I51-F53 HydrophobicContact CG2-CE1 4.45Å; I51-F53 HydrophobicContact CG2-CE2 4.36Å; I51-F53 HydrophobicContact CG2-CZ 4.11Å; I51-F149 CarbonylContact C-O 3.48Å; I51-F149 PolarHBondContact N-O 3.18Å; I51-F149 CarbonylContact O-C 3.16Å; I51-F149 PolarHBondContact O-N 3.47Å; I51-F151 HydrophobicContact CB-CD2 4.01Å; I51-F151 HydrophobicContact CB-CE2 4.28Å; I51-F151 HydrophobicContact CD1-CD2 3.86Å; I51-F151 HydrophobicContact CD1-CE2 4.18Å; I51-F151 HydrophobicContact CG1-CD2 3.96Å
52C80.5Confident74.9Confident0 Ų054.9 Ų54.90%027%0.274CS..EExtended strand (participates in β ladder)trans-93.2135.4174-169.50000109.8S13 E14 I16S13-C52 CarbonylContact C-O 3.49Å; S13-C52 VanDerWaalsContact CA-O 3.25Å; S13-C52 WeakPolarHBondContact CA-O 3.46Å; E14-C52 PolarHBondContact N-O 2.79Å; E14-C52 PolarHBondContact O-N 2.76Å; I16-C52 HydrophobicContact CD1-CB 4.29Å; I16-C52 HydrophobicContact CG2-CB 3.61Å
53F81.4Confident75.5Confident4 Ų452.3 Ų52.32%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-108122.9170.7-61.9-83.8000109.4L6 S13 I51 K55 V57 A146 F149 F151 L165L6-F53 HydrophobicContact CB-CD1 4.43Å; L6-F53 HydrophobicContact CB-CE1 4.09Å; L6-F53 WeakPolarHBondContact O-CE1 3.35Å; S13-F53 WeakPolarHBondContact OG-CD1 3.42Å; S13-F53 WeakPolarHBondContact OG-CE1 3.43Å; I51-F53 HydrophobicContact CG2-CE1 4.45Å; I51-F53 HydrophobicContact CG2-CE2 4.36Å; I51-F53 HydrophobicContact CG2-CZ 4.11Å; F53-K55 PolarHBondContact O-N 2.94Å; F53-V57 HydrophobicContact CB-CG2 4.11Å; F53-V57 HydrophobicContact CD1-CG2 4.22Å; F53-V57 HydrophobicContact CD2-CG2 4.13Å; F53-V57 HydrophobicContact CG-CG2 3.89Å; F53-A146 WeakPolarHBondContact O-CB 3.28Å; F53-F149 HydrophobicContact CD2-CB 3.67Å; F53-F149 HydrophobicContact CD2-CD2 4.33Å; F53-F149 HydrophobicContact CD2-CG 4.29Å; F53-F149 HydrophobicContact CE2-CB 3.44Å; F53-F149 VanDerWaalsContact CE2-CB 3.44Å; F53-F149 HydrophobicContact CE2-CD2 4.46Å; F53-F149 HydrophobicContact CE2-CG 4.06Å; F53-F151 HydrophobicContact CE2-CE2 4.37Å; F53-F151 HydrophobicContact CZ-CE2 4.35Å; F53-L165 HydrophobicContact CE1-CD2 3.64Å; F53-L165 HydrophobicContact CE2-CD2 4.12Å; F53-L165 HydrophobicContact CZ-CD2 3.3Å
54H74.3Confident76.4Confident59 Ų5950.1 Ų50.127%0.27323%0.233SC..SBendtrans-68.7-5179.7-68.3111.2000115.3G12 E14 P142G12-H54 PolarHBondContact O-N 2.82Å; G12-H54 VanDerWaalsContact O-N 3.11Å; G12-H54 PolarHBondContact O-ND1 2.78Å; E14-H54 IonicContact OE1-CE1 3.74Å; E14-H54 PolarHBondContact OE1-CE1 3.12Å; E14-H54 VanDerWaalsContact OE1-CE1 3.27Å; E14-H54 IonicContact OE1-NE2 3.65Å; E14-H54 IonicContact OE2-CE1 3.75Å; E14-H54 IonicContact OE2-NE2 2.61Å; H54-P142 WeakPolarHBondContact NE2-CB 3.12Å; H54-P142 WeakPolarHBondContact NE2-CG 3.35Å
55K72.9Confident77.7Confident140 Ų14045.6 Ų45.661%0.60921%0.21SC*.SBendtrans-128.3150.3-179.1-62.9173.8-171.8161.10109.6F53 V57F53-K55 PolarHBondContact O-N 2.94Å; K55-V57 HydrophobicContact CB-CG1 4.42Å; K55-V57 PolarHBondContact O-N 2.69Å
56H68.3Low78.5Confident145 Ų14542.6 Ų42.667%0.67120%0.197SC*.  trans-67.5109.1169.6-173-85.8000109N147H56-N147 WeakPolarHBondContact CB-ND2 3.32Å; H56-N147 PolarHBondContact CD2-ND2 3.01Å
57V72.6Confident79Confident25 Ų2543.4 Ų43.415%0.15219%0.193CC..  trans-113.2138.4-178.5-66.30000110.4L6 F53 K55L6-V57 HydrophobicContact CD1-CB 3.77Å; L6-V57 HydrophobicContact CD1-CG1 3.85Å; L6-V57 HydrophobicContact CD1-CG2 4.34Å; L6-V57 HydrophobicContact CD2-CG1 4.05Å; L6-V57 HydrophobicContact CG-CG1 4.47Å; F53-V57 HydrophobicContact CB-CG2 4.11Å; F53-V57 HydrophobicContact CD1-CG2 4.22Å; F53-V57 HydrophobicContact CD2-CG2 4.13Å; F53-V57 HydrophobicContact CG-CG2 3.89Å; K55-V57 HydrophobicContact CB-CG1 4.42Å; K55-V57 PolarHBondContact O-N 2.69Å
58R75.3Confident79.1Confident176 Ų17645.8 Ų45.866%0.66420%0.203SC*.  trans-91.1119.1167.1-178.5177.4174.9-178.8-4.1107.6L167R58-L167 HydrophobicContact CB-CD1 4.11Å; R58-L167 WeakPolarHBondContact O-CD1 3.45Å
59I76.9Confident79.1Confident13 Ų1342.6 Ų42.67%0.06719%0.188CC..  trans-82.3125.3174.3-60.7-174.9000108.6W88 A107 F149 L165I59-W88 HydrophobicContact CB-CH2 4.15Å; I59-W88 HydrophobicContact CD1-CZ3 4.32Å; I59-W88 HydrophobicContact CG2-CH2 3.45Å; I59-W88 VanDerWaalsContact CG2-CH2 3.45Å; I59-W88 HydrophobicContact CG2-CZ2 4.35Å; I59-W88 HydrophobicContact CG2-CZ3 4.09Å; I59-A107 WeakPolarHBondContact O-CB 3.24Å; I59-F149 HydrophobicContact CD1-CD1 3.48Å; I59-F149 VanDerWaalsContact CD1-CD1 3.48Å; I59-F149 HydrophobicContact CD1-CD2 4.17Å; I59-F149 HydrophobicContact CD1-CE1 3.16Å; I59-F149 HydrophobicContact CD1-CE2 3.89Å; I59-F149 HydrophobicContact CD1-CG 3.98Å; I59-F149 HydrophobicContact CD1-CZ 3.37Å; I59-F149 HydrophobicContact CG1-CE1 4.17Å; I59-F149 HydrophobicContact CG1-CE2 4.29Å; I59-F149 HydrophobicContact CG1-CZ 3.9Å; I59-L165 HydrophobicContact CB-CD1 4.12Å; I59-L165 HydrophobicContact CD1-CD1 3.86Å; I59-L165 HydrophobicContact CD1-CD2 3.62Å; I59-L165 HydrophobicContact CD1-CG 4.34Å; I59-L165 HydrophobicContact CG1-CD1 3.91Å; I59-L165 HydrophobicContact CG1-CD2 3.77Å; I59-L165 HydrophobicContact CG1-CG 4.26Å; I59-L165 HydrophobicContact CG2-CD1 3.3Å; I59-L165 HydrophobicContact CG2-CG 4.39Å
60E79.6Confident79Confident38 Ų3847 Ų4718%0.17821%0.209CC..  trans-109.7-33.9174.1-66.8-171.6163.600112.5V106 A107 Q168E60-V106 CarbonylContact O-C 3.55Å; E60-V106 WeakPolarHBondContact O-CA 3.15Å; E60-A107 PolarHBondContact O-N 2.61Å; E60-Q168 WeakPolarHBondContact OE2-CA 3.46Å; E60-Q168 WeakPolarHBondContact OE2-CB 3.23Å; E60-Q168 VanDerWaalsContact OE2-CG 3.31Å; E60-Q168 WeakPolarHBondContact OE2-CG 2.96Å; E60-Q168 PolarHBondContact OE2-N 2.74Å
61R80Confident78.8Confident32 Ų3247.3 Ų47.312%0.12121%0.212CC..EExtended strand (participates in β ladder)trans-145.2126.5177.9167.6168.347.5-108.1-16.9110.6V63 E104 I105 L165 E166R61-V63 HydrophobicContact CG-CG2 3.99Å; R61-E104 WeakPolarHBondContact CD-OE1 3.08Å; R61-E104 HydrophobicContact CG-CG 3.95Å; R61-E104 IonicContact NE-OE1 3.82Å; R61-E104 IonicContact NH1-OE1 2.82Å; R61-I105 CarbonylContact C-O 3.57Å; R61-I105 VanDerWaalsContact CA-O 3.26Å; R61-I105 WeakPolarHBondContact CA-O 3.47Å; R61-L165 WeakPolarHBondContact O-CD1 2.83Å; R61-E166 HydrophobicContact CB-CB 4.38Å; R61-E166 IonicContact CZ-OE2 3.05Å; R61-E166 PolarHBondContact N-O 2.86Å; R61-E166 VanDerWaalsContact N-O 3.13Å; R61-E166 IonicContact NE-OE2 3.74Å; R61-E166 PolarHBondContact NE-OE2 2.7Å; R61-E166 IonicContact NH2-OE2 3.15Å; R61-E166 PolarHBondContact NH2-OE2 3.37Å; R61-E166 PolarHBondContact O-N 3.24Å
62L81.9Confident78.6Confident0 Ų047.4 Ų47.40%021%0.212CC..EExtended strand (participates in β ladder)trans-104129.1171.717967.5000109.2I64 I74 W88 E104 I105 F151 L165L62-I64 HydrophobicContact CD1-CG1 4.3Å; L62-I64 HydrophobicContact CD2-CD1 3.7Å; L62-I64 HydrophobicContact CD2-CG1 4.3Å; L62-I64 HydrophobicContact CG-CD1 4Å; L62-I64 HydrophobicContact CG-CG1 4.04Å; L62-I74 HydrophobicContact CD2-CD1 3.35Å; L62-I74 HydrophobicContact CD2-CG1 4.42Å; L62-W88 HydrophobicContact CD2-CZ3 4.22Å; L62-E104 CarbonylContact O-C 3.55Å; L62-E104 WeakPolarHBondContact O-CA 3.41Å; L62-I105 HydrophobicContact CB-CB 4.34Å; L62-I105 HydrophobicContact CD2-CD1 4.35Å; L62-I105 PolarHBondContact N-O 2.9Å; L62-I105 PolarHBondContact O-N 2.67Å; L62-F151 HydrophobicContact CD1-CE1 3.45Å; L62-F151 VanDerWaalsContact CD1-CE1 3.45Å; L62-F151 HydrophobicContact CD1-CZ 3.66Å; L62-F151 HydrophobicContact CD2-CD1 4.38Å; L62-F151 HydrophobicContact CD2-CE1 3.62Å; L62-F151 HydrophobicContact CG-CE1 4.19Å; L62-L165 HydrophobicContact CB-CD1 4.24Å; L62-L165 HydrophobicContact CD1-CD1 3.87Å
63V84.4Confident78.6Confident26 Ų2649.4 Ų49.416%0.15822%0.221CC..EExtended strand (participates in β ladder)trans-117.5119.8175.3-179.80000107.8R61 E103 E104 G164R61-V63 HydrophobicContact CG-CG2 3.99Å; V63-E103 CarbonylContact C-O 3.37Å; V63-E103 VanDerWaalsContact CA-O 3.28Å; V63-E103 WeakPolarHBondContact CA-O 3.28Å; V63-E104 HydrophobicContact CG2-CG 4.28Å; V63-G164 CarbonylContact C-O 3.6Å; V63-G164 WeakPolarHBondContact CA-O 3.42Å; V63-G164 PolarHBondContact N-O 3.37Å; V63-G164 PolarHBondContact O-N 2.93Å
64I83.9Confident78.5Confident11 Ų1149.2 Ų49.26%0.05622%0.22CC..EExtended strand (participates in β ladder)trans-116.9121.9178.9-68.7164.5000108.4L62 L72 I74 N102 E103L62-I64 HydrophobicContact CD1-CG1 4.3Å; L62-I64 HydrophobicContact CD2-CD1 3.7Å; L62-I64 HydrophobicContact CD2-CG1 4.3Å; L62-I64 HydrophobicContact CG-CD1 4Å; L62-I64 HydrophobicContact CG-CG1 4.04Å; I64-L72 HydrophobicContact CD1-CD1 3.95Å; I64-L72 HydrophobicContact CD1-CD2 3.5Å; I64-L72 HydrophobicContact CD1-CG 4.33Å; I64-I74 HydrophobicContact CD1-CD1 3.84Å; I64-N102 CarbonylContact O-C 3.38Å; I64-N102 WeakPolarHBondContact O-CA 3.34Å; I64-E103 HydrophobicContact CB-CB 4.35Å; I64-E103 PolarHBondContact N-O 3.33Å; I64-E103 PolarHBondContact O-N 2.77Å
65Q83.4Confident78.8Confident65 Ų6547.9 Ų47.930%0.30421%0.214SC..EExtended strand (participates in β ladder)trans-106.1129.2169.8-76.7176.319.200108.5L100 Q101 N102 G161 Q162Q65-L100 HydrophobicContact CB-CD1 4.05Å; Q65-L100 HydrophobicContact CG-CD2 4.42Å; Q65-Q101 WeakPolarHBondContact CA-O 3.45Å; Q65-N102 HydrophobicContact CG-CB 4.32Å; Q65-N102 WeakPolarHBondContact CG-OD1 3.45Å; Q65-G161 CarbonylContact C-O 3.52Å; Q65-G161 WeakPolarHBondContact CA-O 3.27Å; Q65-G161 WeakPolarHBondContact CB-O 3.31Å; Q65-G161 CarbonylContact O-C 3.49Å; Q65-G161 PolarHBondContact O-N 3.17Å; Q65-Q162 WeakPolarHBondContact CB-O 3.34Å; Q65-Q162 PolarHBondContact N-O 2.92Å
66S82.9Confident79Confident0 Ų043.6 Ų43.60%020%0.195CC..EExtended strand (participates in β ladder)trans-159.4165.4-174.863.60000112.2V69 Q101S66-V69 VanDerWaalsContact CB-CG2 3.47Å; S66-V69 WeakPolarHBondContact OG-CG2 3.39Å; S66-Q101 PolarHBondContact N-O 3.36Å; S66-Q101 WeakPolarHBondContact O-CA 3.43Å; S66-Q101 WeakPolarHBondContact O-CB 3.33Å; S66-Q101 PolarHBondContact O-N 2.89Å
67Y81.4Confident79.4Confident73 Ų7336.8 Ų36.829%0.28616%0.164SC..BIsolated β-bridgetrans-127140.7172.9-60.9-94.3000109.2V69 Q99 L100 H159Y67-V69 PolarHBondContact O-N 3.09Å; Y67-V69 VanDerWaalsContact O-N 3.09Å; Y67-Q99 WeakPolarHBondContact CD1-O 3.16Å; Y67-L100 HydrophobicContact CD2-CD1 4.14Å; Y67-L100 VanDerWaalsContact CE1-CA 3.42Å; Y67-L100 HydrophobicContact CE1-CB 3.74Å; Y67-L100 HydrophobicContact CE1-CD1 4.09Å; Y67-L100 VanDerWaalsContact CE1-N 3.34Å; Y67-L100 HydrophobicContact CE2-CD1 3.48Å; Y67-L100 VanDerWaalsContact CE2-CD1 3.48Å; Y67-L100 VanDerWaalsContact CZ-CD1 3.45Å; Y67-H159 HydrophobicContact CD2-CB 4.38Å; Y67-H159 PolarHBondContact N-O 2.65Å; Y67-H159 PolarHBondContact O-N 3Å
68F78.4Confident79.6Confident61 Ų6140.1 Ų40.127%0.26819%0.185SC..SBendtrans64.18.7173.2-51.1-64.2000115.6Q70 H95 G98 F157 H159F68-Q70 PolarHBondContact O-N 2.92Å; F68-H95 AromaticContact CD1-CE1 3.82Å; F68-G98 VanDerWaalsContact CE1-N 3.34Å; F68-F157 CarbonylContact C-O 3.52Å; F68-F157 VanDerWaalsContact C-O 3.23Å; F68-F157 WeakPolarHBondContact CB-O 3.42Å; F68-H159 AromaticContact CD2-CD2 3.97Å; F68-H159 AromaticContact CE2-CD2 3.88Å
69V78.3Confident79.4Confident1 Ų133.3 Ų33.31%0.00616%0.164CC..  trans-66.1127.6172.9179.30000108.4S66 Y67 T71 L72 L93 Q101 V153 M155 C158S66-V69 VanDerWaalsContact CB-CG2 3.47Å; S66-V69 WeakPolarHBondContact OG-CG2 3.39Å; Y67-V69 PolarHBondContact O-N 3.09Å; Y67-V69 VanDerWaalsContact O-N 3.09Å; V69-T71 WeakPolarHBondContact CG1-O 3.04Å; V69-L72 HydrophobicContact CG1-CB 4.31Å; V69-L93 HydrophobicContact CB-CD1 3.88Å; V69-L93 HydrophobicContact CG1-CD1 3.66Å; V69-L93 HydrophobicContact CG1-CG 4.31Å; V69-L93 WeakPolarHBondContact O-CB 3.46Å; V69-Q101 PolarHBondContact O-NE2 3.36Å; V69-Q101 PolarHBondContact O-OE1 2.82Å; V69-V153 HydrophobicContact CG1-CG1 4.35Å; V69-M155 HydrophobicContact CG2-CE 4.29Å; V69-M155 HydrophobicContact CG2-CG 4.24Å; V69-M155 HydrophobicContact CG2-SD 4.43Å; V69-C158 VanDerWaalsContact CA-SG 3.55Å; V69-C158 HydrophobicContact CG2-CB 4.48Å; V69-C158 WeakPolarHBondContact CG2-SG 3.46Å
70Q77.8Confident79Confident99 Ų9939.6 Ų39.646%0.46319%0.191SC..  trans-97.9-45.7176.8-69.1-177.6-2.300111.7F68 D92 L93F68-Q70 PolarHBondContact O-N 2.92Å; Q70-D92 CarbonylContact O-C 3.56Å; Q70-D92 WeakPolarHBondContact O-CA 2.73Å; Q70-L93 PolarHBondContact O-N 3.29Å
71T78.1Confident78.5Confident26 Ų2643.8 Ų43.816%0.1621%0.211CC..EExtended strand (participates in β ladder)trans-128.1132.5177.1-55.50000107.9V69 D92 K154V69-T71 WeakPolarHBondContact CG1-O 3.04Å; T71-D92 WeakPolarHBondContact CB-OD1 3.49Å; T71-D92 WeakPolarHBondContact CG2-OD1 3.23Å; T71-D92 PolarHBondContact OG1-OD1 2.9Å; T71-K154 CarbonylContact O-C 3.51Å
72L78.9Confident78.1Confident1 Ų144.6 Ų44.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-113.4113.8175170.262.3000107I64 V69 I74 E90 K91 L93 I105 V153I64-L72 HydrophobicContact CD1-CD1 3.95Å; I64-L72 HydrophobicContact CD1-CD2 3.5Å; I64-L72 HydrophobicContact CD1-CG 4.33Å; V69-L72 HydrophobicContact CG1-CB 4.31Å; L72-I74 HydrophobicContact CD1-CD1 4.2Å; L72-I74 HydrophobicContact CD1-CG1 3.85Å; L72-I74 HydrophobicContact CD2-CD1 4.06Å; L72-I74 HydrophobicContact CG-CD1 4.08Å; L72-I74 HydrophobicContact CG-CG1 4.07Å; L72-E90 CarbonylContact O-C 3.49Å; L72-E90 WeakPolarHBondContact O-CA 3.14Å; L72-K91 PolarHBondContact N-O 3.14Å; L72-K91 PolarHBondContact O-N 2.76Å; L72-L93 HydrophobicContact CB-CD1 4.18Å; L72-L93 HydrophobicContact CB-CG 4.25Å; L72-L93 HydrophobicContact CD2-CD1 4.48Å; L72-I105 HydrophobicContact CD2-CD1 4.48Å; L72-V153 HydrophobicContact CD1-CB 3.94Å; L72-V153 HydrophobicContact CD1-CG1 3.4Å; L72-V153 VanDerWaalsContact CD1-CG1 3.4Å; L72-V153 HydrophobicContact CD1-CG2 3.5Å
73K79.8Confident77.7Confident43 Ų4347.3 Ų47.319%0.18724%0.236CC..EExtended strand (participates in β ladder)trans-105.6143.8166.8-169.7175.7-172-1540107.9E75 I89 L152 V153K73-E75 WeakPolarHBondContact CE-OE1 3.34Å; K73-E75 IonicContact NZ-OE1 2.89Å; K73-E75 PolarHBondContact NZ-OE1 2.62Å; K73-I89 CarbonylContact C-O 3.32Å; K73-I89 WeakPolarHBondContact CA-O 3.21Å; K73-L152 CarbonylContact C-O 3.56Å; K73-L152 HydrophobicContact CB-CD2 4.18Å; K73-L152 WeakPolarHBondContact CB-O 3.35Å; K73-L152 HydrophobicContact CD-CD2 3.74Å; K73-L152 HydrophobicContact CG-CD2 4.17Å; K73-L152 CarbonylContact O-C 3.46Å; K73-V153 WeakPolarHBondContact O-CA 3.36Å; K73-V153 PolarHBondContact O-N 2.96Å
74I79.8Confident77.3Confident0 Ų052.4 Ų52.40%026%0.263CS..EExtended strand (participates in β ladder)trans-136.1123.3177-58.5161000105.6L62 I64 L72 W88 I89 I105 F151L62-I74 HydrophobicContact CD2-CD1 3.35Å; L62-I74 HydrophobicContact CD2-CG1 4.42Å; I64-I74 HydrophobicContact CD1-CD1 3.84Å; L72-I74 HydrophobicContact CD1-CD1 4.2Å; L72-I74 HydrophobicContact CD1-CG1 3.85Å; L72-I74 HydrophobicContact CD2-CD1 4.06Å; L72-I74 HydrophobicContact CG-CD1 4.08Å; L72-I74 HydrophobicContact CG-CG1 4.07Å; I74-W88 HydrophobicContact CG2-CE3 3.76Å; I74-W88 HydrophobicContact CG2-CZ3 4.41Å; I74-W88 WeakPolarHBondContact O-CA 3.45Å; I74-W88 WeakPolarHBondContact O-CB 3.25Å; I74-W88 PolarHBondContact O-N 3.23Å; I74-I89 HydrophobicContact CB-CB 4.12Å; I74-I89 HydrophobicContact CB-CD1 4.42Å; I74-I89 HydrophobicContact CD1-CB 4.03Å; I74-I89 HydrophobicContact CD1-CD1 3.63Å; I74-I89 HydrophobicContact CD1-CG1 4.45Å; I74-I89 HydrophobicContact CD1-CG2 4.38Å; I74-I89 HydrophobicContact CG1-CB 4.46Å; I74-I89 PolarHBondContact N-O 3.2Å; I74-I89 PolarHBondContact O-N 2.92Å; I74-I105 HydrophobicContact CD1-CD1 3.98Å; I74-F151 HydrophobicContact CG1-CD1 4.32Å; I74-F151 HydrophobicContact CG2-CD1 3.71Å; I74-F151 HydrophobicContact CG2-CE1 3.95Å
75E80Confident77Confident31 Ų3154 Ų5415%0.14527%0.269CS..EExtended strand (participates in β ladder)trans-109.2170.8171.3-55.5-169.916700107.5K73 F85 E86 A150 L152K73-E75 WeakPolarHBondContact CE-OE1 3.34Å; K73-E75 IonicContact NZ-OE1 2.89Å; K73-E75 PolarHBondContact NZ-OE1 2.62Å; E75-F85 HydrophobicContact CB-CB 4.1Å; E75-F85 WeakPolarHBondContact OE2-CB 3.39Å; E75-E86 CarbonylContact C-O 3.14Å; E75-E86 VanDerWaalsContact CA-O 3.23Å; E75-E86 WeakPolarHBondContact CA-O 3.28Å; E75-A150 CarbonylContact C-O 3.04Å; E75-A150 PolarHBondContact N-O 3.25Å; E75-A150 CarbonylContact O-C 3.18Å; E75-L152 HydrophobicContact CG-CB 4.06Å
76K76.7Confident76.7Confident49 Ų4955.9 Ų55.921%0.21328%0.278CS..EExtended strand (participates in β ladder)trans-148.9153.5172.164.3-175.6-170.3-174.80109.1F85 E86 W88 F149K76-F85 WeakPolarHBondContact O-CA 3.36Å; K76-E86 WeakPolarHBondContact CE-OE1 3.38Å; K76-E86 HydrophobicContact CG-CG 3.73Å; K76-E86 PolarHBondContact N-O 3.25Å; K76-E86 IonicContact NZ-OE1 3.6Å; K76-E86 WeakPolarHBondContact O-CG 3.21Å; K76-E86 PolarHBondContact O-N 3.47Å; K76-W88 HydrophobicContact CD-CB 4.1Å; K76-W88 HydrophobicContact CD-CD2 4.01Å; K76-W88 HydrophobicContact CD-CE3 4.35Å; K76-W88 HydrophobicContact CD-CG 3.87Å; K76-W88 HydrophobicContact CG-CB 4.19Å; K76-W88 HydrophobicContact CG-CG 4.49Å; K76-F149 HydrophobicContact CB-CD1 3.45Å; K76-F149 VanDerWaalsContact CB-CD1 3.45Å; K76-F149 HydrophobicContact CB-CE1 3.25Å; K76-F149 HydrophobicContact CB-CG 4.2Å; K76-F149 HydrophobicContact CB-CZ 3.88Å; K76-F149 HydrophobicContact CD-CE1 3.68Å; K76-F149 HydrophobicContact CD-CZ 3.78Å; K76-F149 HydrophobicContact CG-CE1 4.08Å; K76-F149 HydrophobicContact CG-CZ 4.41Å
77S77Confident76.4Confident2 Ų261 Ų611%0.01430%0.302CS..  trans-124.3161.6169.9-178.50000108.6S79 V83 F85 F148S77-S79 WeakPolarHBondContact OG-CB 3.46Å; S77-S79 PolarHBondContact OG-N 2.79Å; S77-V83 WeakPolarHBondContact CB-O 3.38Å; S77-V83 PolarHBondContact OG-O 3.26Å; S77-F85 VanDerWaalsContact CB-CE1 3.45Å; S77-F148 CarbonylContact C-O 3.06Å; S77-F148 VanDerWaalsContact CA-O 3.27Å; S77-F148 WeakPolarHBondContact CA-O 3.34Å; S77-F148 VanDerWaalsContact CB-O 3.27Å; S77-F148 WeakPolarHBondContact CB-O 3.27Å; S77-F148 PolarHBondContact N-O 2.88Å; S77-F148 VanDerWaalsContact N-O 3.15Å
78T77Confident76.2Confident95 Ų9560.1 Ų60.158%0.58330%0.298SS*.  trans-124.26.2165.754.90000110.6N147T78-N147 PolarHBondContact O-OD1 3.15Å
79S71.8Confident76.1Confident33 Ų3358.3 Ų58.323%0.23129%0.291CS..SBendtrans-69.6164.5174.3-172.40000110.7S77 E81 V83 F148S77-S79 WeakPolarHBondContact OG-CB 3.46Å; S77-S79 PolarHBondContact OG-N 2.79Å; S79-E81 VanDerWaalsContact C-N 3.32Å; S79-E81 WeakPolarHBondContact CB-O 3.31Å; S79-E81 PolarHBondContact OG-N 3.12Å; S79-V83 WeakPolarHBondContact OG-CG2 3.37Å; S79-F148 WeakPolarHBondContact O-CD2 3.49Å; S79-F148 PolarHBondContact O-N 3.24Å
80K68.6Low76.2Confident146 Ų14662.9 Ų62.964%0.63531%0.312SS*.SBendtrans-89.52.2174.2-61.9-178.5-177.61770113.2P145 F148K80-P145 HydrophobicContact CD-CB 4.38Å; K80-F148 VanDerWaalsContact C-CD2 3.43Å; K80-F148 WeakPolarHBondContact O-CE2 3.25Å; K80-F148 WeakPolarHBondContact O-CZ 3.21Å
81E68.9Low76.3Confident126 Ų12662.3 Ų62.359%0.58931%0.308SS*.SBendtrans-130.1158.6171.2-67.7-179.4145.500106.8S79 V83S79-E81 VanDerWaalsContact C-N 3.32Å; S79-E81 WeakPolarHBondContact CB-O 3.31Å; S79-E81 PolarHBondContact OG-N 3.12Å; E81-V83 HydrophobicContact CB-CG1 4.3Å; E81-V83 HydrophobicContact CB-CG2 3.96Å; E81-V83 PolarHBondContact O-N 3.12Å
82P71.3Confident76.5Confident49 Ų4965.7 Ų65.732%0.31833%0.325SS..SBendtrans-73.464.1176.831.8-35.3000110.7I16 I50 F85 F148I16-P82 HydrophobicContact CD1-CB 4.31Å; I50-P82 HydrophobicContact CD1-CB 4.38Å; P82-F85 HydrophobicContact CB-CE2 4.41Å; P82-F85 HydrophobicContact CB-CZ 4.03Å; P82-F85 VanDerWaalsContact O-CE2 3.23Å; P82-F85 WeakPolarHBondContact O-CE2 3.48Å; P82-F148 HydrophobicContact CB-CD1 3.87Å; P82-F148 HydrophobicContact CB-CE1 4.24Å; P82-F148 HydrophobicContact CG-CD1 4.39Å; P82-F148 HydrophobicContact CG-CE1 4.26Å
83V73.1Confident76.5Confident57 Ų5766.1 Ų66.135%0.34533%0.328SS..  trans-135.6172.5-178.6-59.90000109.5S77 S79 E81 F85S77-V83 WeakPolarHBondContact CB-O 3.38Å; S77-V83 PolarHBondContact OG-O 3.26Å; S79-V83 WeakPolarHBondContact OG-CG2 3.37Å; E81-V83 HydrophobicContact CB-CG1 4.3Å; E81-V83 HydrophobicContact CB-CG2 3.96Å; E81-V83 PolarHBondContact O-N 3.12Å; V83-F85 VanDerWaalsContact C-N 3.34Å; V83-F85 PolarHBondContact O-N 3.04Å
84D77.2Confident76.4Confident132 Ų13269.7 Ų69.771%0.70635%0.353SS*.  trans56.242.9175.1-57.5-35.8000114.5E86D84-E86 PolarHBondContact O-N 2.99Å
85F77Confident76.1Confident45 Ų4574.3 Ų74.320%0.19737%0.374CS..  trans-67.3132.3176.1-66.8-69.4000112.1I50 E75 K76 S77 P82 V83 A150I50-F85 HydrophobicContact CD1-CZ 4.32Å; E75-F85 HydrophobicContact CB-CB 4.1Å; E75-F85 WeakPolarHBondContact OE2-CB 3.39Å; K76-F85 WeakPolarHBondContact O-CA 3.36Å; S77-F85 VanDerWaalsContact CB-CE1 3.45Å; P82-F85 HydrophobicContact CB-CE2 4.41Å; P82-F85 HydrophobicContact CB-CZ 4.03Å; P82-F85 VanDerWaalsContact O-CE2 3.23Å; P82-F85 WeakPolarHBondContact O-CE2 3.48Å; V83-F85 VanDerWaalsContact C-N 3.34Å; V83-F85 PolarHBondContact O-N 3.04Å; F85-A150 HydrophobicContact CD1-CB 3.51Å; F85-A150 HydrophobicContact CE1-CB 2.98Å; F85-A150 HydrophobicContact CE2-CB 4.26Å; F85-A150 HydrophobicContact CG-CB 4.39Å; F85-A150 HydrophobicContact CZ-CB 3.41Å; F85-A150 VanDerWaalsContact CZ-CB 3.41Å
86E77.1Confident75.5Confident104 Ų10474.8 Ų74.849%0.48638%0.379SS..EExtended strand (participates in β ladder)trans-107.3135.2168.461176.8-170.100110.4E75 K76 D84 W88E75-E86 CarbonylContact C-O 3.14Å; E75-E86 VanDerWaalsContact CA-O 3.23Å; E75-E86 WeakPolarHBondContact CA-O 3.28Å; K76-E86 WeakPolarHBondContact CE-OE1 3.38Å; K76-E86 HydrophobicContact CG-CG 3.73Å; K76-E86 PolarHBondContact N-O 3.25Å; K76-E86 IonicContact NZ-OE1 3.6Å; K76-E86 WeakPolarHBondContact O-CG 3.21Å; K76-E86 PolarHBondContact O-N 3.47Å; D84-E86 PolarHBondContact O-N 2.99Å; E86-W88 PolarHBondContact O-N 3.13Å
87Q76.8Confident75.4Confident107 Ų10780.5 Ų80.550%0.541%0.407SS..EExtended strand (participates in β ladder)trans-64.7122.5175175.7169.4-32.200109.5E90Q87-E90 PolarHBondContact NE2-OE2 3.16Å
88W75.9Confident75Confident56 Ų5682.9 Ų82.921%0.21243%0.432CS..EExtended strand (participates in β ladder)trans-100.4-49.3179.3-170.423.8000111.4I59 L62 I74 K76 E86 A107 F149I59-W88 HydrophobicContact CB-CH2 4.15Å; I59-W88 HydrophobicContact CD1-CZ3 4.32Å; I59-W88 HydrophobicContact CG2-CH2 3.45Å; I59-W88 VanDerWaalsContact CG2-CH2 3.45Å; I59-W88 HydrophobicContact CG2-CZ2 4.35Å; I59-W88 HydrophobicContact CG2-CZ3 4.09Å; L62-W88 HydrophobicContact CD2-CZ3 4.22Å; I74-W88 HydrophobicContact CG2-CE3 3.76Å; I74-W88 HydrophobicContact CG2-CZ3 4.41Å; I74-W88 WeakPolarHBondContact O-CA 3.45Å; I74-W88 WeakPolarHBondContact O-CB 3.25Å; I74-W88 PolarHBondContact O-N 3.23Å; K76-W88 HydrophobicContact CD-CB 4.1Å; K76-W88 HydrophobicContact CD-CD2 4.01Å; K76-W88 HydrophobicContact CD-CE3 4.35Å; K76-W88 HydrophobicContact CD-CG 3.87Å; K76-W88 HydrophobicContact CG-CB 4.19Å; K76-W88 HydrophobicContact CG-CG 4.49Å; E86-W88 PolarHBondContact O-N 3.13Å; W88-A107 HydrophobicContact CH2-CB 4.38Å; W88-A107 HydrophobicContact CZ2-CB 3.7Å; W88-F149 HydrophobicContact CE3-CE1 4.18Å; W88-F149 HydrophobicContact CZ3-CE1 4.23Å
89I76.4Confident75.1Confident23 Ų2384.3 Ų84.312%0.11843%0.432CS..EExtended strand (participates in β ladder)trans-141.4143.7-177.3-58.8147.3000109.5K73 I74 K91 I105K73-I89 CarbonylContact C-O 3.32Å; K73-I89 WeakPolarHBondContact CA-O 3.21Å; I74-I89 HydrophobicContact CB-CB 4.12Å; I74-I89 HydrophobicContact CB-CD1 4.42Å; I74-I89 HydrophobicContact CD1-CB 4.03Å; I74-I89 HydrophobicContact CD1-CD1 3.63Å; I74-I89 HydrophobicContact CD1-CG1 4.45Å; I74-I89 HydrophobicContact CD1-CG2 4.38Å; I74-I89 HydrophobicContact CG1-CB 4.46Å; I74-I89 PolarHBondContact N-O 3.2Å; I74-I89 PolarHBondContact O-N 2.92Å; I89-K91 HydrophobicContact CG2-CB 4.39Å; I89-I105 HydrophobicContact CD1-CB 4.31Å; I89-I105 HydrophobicContact CD1-CD1 3.84Å; I89-I105 HydrophobicContact CD1-CG2 3.54Å; I89-I105 HydrophobicContact CG1-CG2 4.27Å; I89-I105 HydrophobicContact CG2-CD1 4.24Å
90E82.1Confident75.6Confident97 Ų9786.5 Ų86.545%0.45344%0.44SS..EExtended strand (participates in β ladder)trans-138.6124.9164.5-177.1170.9-167.300107.7L72 Q87L72-E90 CarbonylContact O-C 3.49Å; L72-E90 WeakPolarHBondContact O-CA 3.14Å; Q87-E90 PolarHBondContact NE2-OE2 3.16Å
91K78.5Confident76.1Confident86 Ų8680 Ų8037%0.37441%0.412SS..EExtended strand (participates in β ladder)trans-147.6129.6-173.6-176.6176.9177179.70110.2L72 I89 L93 E103L72-K91 PolarHBondContact N-O 3.14Å; L72-K91 PolarHBondContact O-N 2.76Å; I89-K91 HydrophobicContact CG2-CB 4.39Å; K91-L93 HydrophobicContact CD-CD2 3.94Å; K91-L93 HydrophobicContact CG-CD2 4.02Å; K91-E103 IonicContact NZ-OE1 3.73Å; K91-E103 IonicContact NZ-OE2 2.97Å; K91-E103 PolarHBondContact NZ-OE2 2.73Å
92D82.2Confident76.8Confident97 Ų9778.5 Ų78.552%0.51941%0.408SS..EExtended strand (participates in β ladder)trans-79.7131.6166.3-64.7-39.9000109.8Q70 T71Q70-D92 CarbonylContact O-C 3.56Å; Q70-D92 WeakPolarHBondContact O-CA 2.73Å; T71-D92 WeakPolarHBondContact CB-OD1 3.49Å; T71-D92 WeakPolarHBondContact CG2-OD1 3.23Å; T71-D92 PolarHBondContact OG1-OD1 2.9Å
93L78.8Confident77.4Confident11 Ų1178 Ų786%0.05840%0.401CS..PPolyproline II helixtrans-100.2140.1178.3-58.5-170000109.5V69 Q70 L72 K91 H95 E103V69-L93 HydrophobicContact CB-CD1 3.88Å; V69-L93 HydrophobicContact CG1-CD1 3.66Å; V69-L93 HydrophobicContact CG1-CG 4.31Å; V69-L93 WeakPolarHBondContact O-CB 3.46Å; Q70-L93 PolarHBondContact O-N 3.29Å; L72-L93 HydrophobicContact CB-CD1 4.18Å; L72-L93 HydrophobicContact CB-CG 4.25Å; L72-L93 HydrophobicContact CD2-CD1 4.48Å; K91-L93 HydrophobicContact CD-CD2 3.94Å; K91-L93 HydrophobicContact CG-CD2 4.02Å; L93-H95 PolarHBondContact O-N 3.05Å; L93-H95 VanDerWaalsContact O-N 3.14Å; L93-E103 HydrophobicContact CD1-CG 3.99Å; L93-E103 HydrophobicContact CD2-CG 3.59Å; L93-E103 WeakPolarHBondContact CD2-OE1 3.5Å; L93-E103 HydrophobicContact CG-CG 4.47Å
94V78.6Confident77.9Confident117 Ų11780.9 Ų80.971%0.70941%0.411SS*.PPolyproline II helixtrans-67.1117.6178.5-179.60000108.2T96 Q101V94-T96 PolarHBondContact O-N 3.01Å; V94-T96 VanDerWaalsContact O-N 3.13Å; V94-T96 PolarHBondContact O-OG1 2.81Å; V94-T96 VanDerWaalsContact O-OG1 3.14Å; V94-Q101 PolarHBondContact O-NE2 2.99Å
95H73.2Confident78Confident97 Ų9775.2 Ų75.245%0.44938%0.381SS..PPolyproline II helixtrans-60.8119.4172-178.679.3000108.9F68 L93F68-H95 AromaticContact CD1-CE1 3.82Å; L93-H95 PolarHBondContact O-N 3.05Å; L93-H95 VanDerWaalsContact O-N 3.14Å
96T67Low78.2Confident41 Ų4176 Ų7625%0.25239%0.389SS..  trans-127.8112.1177.5-43.70000107.5V94 G98 Q99V94-T96 PolarHBondContact O-N 3.01Å; V94-T96 VanDerWaalsContact O-N 3.13Å; V94-T96 PolarHBondContact O-OG1 2.81Å; V94-T96 VanDerWaalsContact O-OG1 3.14Å; T96-G98 PolarHBondContact O-N 2.81Å; T96-Q99 HydrophobicContact CG2-CB 3.52Å; T96-Q99 VanDerWaalsContact CG2-CD 3.41Å; T96-Q99 HydrophobicContact CG2-CG 3.61Å; T96-Q99 VanDerWaalsContact CG2-OE1 3.3Å; T96-Q99 PolarHBondContact O-N 3.28Å
97E74.1Confident77.7Confident170 Ų17072.3 Ų72.379%0.79438%0.377SS*.THydrogen-bonded Turntrans-57.7109.3-174.7-73.5-174.2178.800111.2Q99E97-Q99 PolarHBondContact O-N 3.25Å
98G70.1Confident76.9Confident52 Ų5271 Ų7154%0.53639%0.392SS..THydrogen-bonded Turntrans66.813.2175.100000115.3F68 T96F68-G98 VanDerWaalsContact CE1-N 3.34Å; T96-G98 PolarHBondContact O-N 2.81Å
99Q78.8Confident75.5Confident125 Ų12572.5 Ų72.558%0.58441%0.407SS*.PPolyproline II helixtrans-100.7145.1174.3-61.7-168.85.300111.3Y67 T96 E97 Q101Y67-Q99 WeakPolarHBondContact CD1-O 3.16Å; T96-Q99 HydrophobicContact CG2-CB 3.52Å; T96-Q99 VanDerWaalsContact CG2-CD 3.41Å; T96-Q99 HydrophobicContact CG2-CG 3.61Å; T96-Q99 VanDerWaalsContact CG2-OE1 3.3Å; T96-Q99 PolarHBondContact O-N 3.28Å; E97-Q99 PolarHBondContact O-N 3.25Å; Q99-Q101 PolarHBondContact O-N 3.41Å
100L80.9Confident73.6Confident78 Ų7874.8 Ų74.841%0.40844%0.436SS..PPolyproline II helixtrans-65.9122.1174.3-178.268.1000109.7Q65 Y67Q65-L100 HydrophobicContact CB-CD1 4.05Å; Q65-L100 HydrophobicContact CG-CD2 4.42Å; Y67-L100 HydrophobicContact CD2-CD1 4.14Å; Y67-L100 VanDerWaalsContact CE1-CA 3.42Å; Y67-L100 HydrophobicContact CE1-CB 3.74Å; Y67-L100 HydrophobicContact CE1-CD1 4.09Å; Y67-L100 VanDerWaalsContact CE1-N 3.34Å; Y67-L100 HydrophobicContact CE2-CD1 3.48Å; Y67-L100 VanDerWaalsContact CE2-CD1 3.48Å; Y67-L100 VanDerWaalsContact CZ-CD1 3.45Å
101Q81Confident71.8Confident11 Ų1177.4 Ų77.45%0.05144%0.442CS..EExtended strand (participates in β ladder)trans-86.9119.7168.9-59.9167.2-4800107Q65 S66 V69 V94 Q99Q65-Q101 WeakPolarHBondContact CA-O 3.45Å; S66-Q101 PolarHBondContact N-O 3.36Å; S66-Q101 WeakPolarHBondContact O-CA 3.43Å; S66-Q101 WeakPolarHBondContact O-CB 3.33Å; S66-Q101 PolarHBondContact O-N 2.89Å; V69-Q101 PolarHBondContact O-NE2 3.36Å; V69-Q101 PolarHBondContact O-OE1 2.82Å; V94-Q101 PolarHBondContact O-NE2 2.99Å; Q99-Q101 PolarHBondContact O-N 3.41Å
102N83.4Confident69.8Low94 Ų9484 Ų8450%0.50347%0.465SS..EExtended strand (participates in β ladder)trans-120.4109.8178.5-174.824000109.3I64 Q65I64-N102 CarbonylContact O-C 3.38Å; I64-N102 WeakPolarHBondContact O-CA 3.34Å; Q65-N102 HydrophobicContact CG-CB 4.32Å; Q65-N102 WeakPolarHBondContact CG-OD1 3.45Å
103E82.3Confident67.7Low37 Ų3788.9 Ų88.917%0.17348%0.477CS..EExtended strand (participates in β ladder)trans-113.4119-172.4-70-62.7157.500110.4V63 I64 K91 L93V63-E103 CarbonylContact C-O 3.37Å; V63-E103 VanDerWaalsContact CA-O 3.28Å; V63-E103 WeakPolarHBondContact CA-O 3.28Å; I64-E103 HydrophobicContact CB-CB 4.35Å; I64-E103 PolarHBondContact N-O 3.33Å; I64-E103 PolarHBondContact O-N 2.77Å; K91-E103 IonicContact NZ-OE1 3.73Å; K91-E103 IonicContact NZ-OE2 2.97Å; K91-E103 PolarHBondContact NZ-OE2 2.73Å; L93-E103 HydrophobicContact CD1-CG 3.99Å; L93-E103 HydrophobicContact CD2-CG 3.59Å; L93-E103 WeakPolarHBondContact CD2-OE1 3.5Å; L93-E103 HydrophobicContact CG-CG 4.47Å
104E83.8Confident65.5Low119 Ų11995.5 Ų95.556%0.55651%0.512SS*.EExtended strand (participates in β ladder)trans-110.3124.9176.9-175.5178.8169.900109.9R61 L62 V63R61-E104 WeakPolarHBondContact CD-OE1 3.08Å; R61-E104 HydrophobicContact CG-CG 3.95Å; R61-E104 IonicContact NE-OE1 3.82Å; R61-E104 IonicContact NH1-OE1 2.82Å; L62-E104 CarbonylContact O-C 3.55Å; L62-E104 WeakPolarHBondContact O-CA 3.41Å; V63-E104 HydrophobicContact CG2-CG 4.28Å
105I80.1Confident63.6Low12 Ų1293.4 Ų93.46%0.06251%0.514CS..EExtended strand (participates in β ladder)trans-128.4117.6-174.5-50.6172.7000109.2R61 L62 L72 I74 I89R61-I105 CarbonylContact C-O 3.57Å; R61-I105 VanDerWaalsContact CA-O 3.26Å; R61-I105 WeakPolarHBondContact CA-O 3.47Å; L62-I105 HydrophobicContact CB-CB 4.34Å; L62-I105 HydrophobicContact CD2-CD1 4.35Å; L62-I105 PolarHBondContact N-O 2.9Å; L62-I105 PolarHBondContact O-N 2.67Å; L72-I105 HydrophobicContact CD2-CD1 4.48Å; I74-I105 HydrophobicContact CD1-CD1 3.98Å; I89-I105 HydrophobicContact CD1-CB 4.31Å; I89-I105 HydrophobicContact CD1-CD1 3.84Å; I89-I105 HydrophobicContact CD1-CG2 3.54Å; I89-I105 HydrophobicContact CG1-CG2 4.27Å; I89-I105 HydrophobicContact CG2-CD1 4.24Å
106V81.4Confident61.8Low61 Ų6191.8 Ų91.837%0.3751%0.514SS..EExtended strand (participates in β ladder)trans-95.4125.6-179.9-176.70000110.4E60 V109 W111E60-V106 CarbonylContact O-C 3.55Å; E60-V106 WeakPolarHBondContact O-CA 3.15Å; V106-V109 HydrophobicContact CB-CG2 4.05Å; V106-V109 HydrophobicContact CG1-CG2 4.26Å; V106-V109 WeakPolarHBondContact O-CG2 3.22Å; V106-W111 PolarHBondContact O-NE1 3.27Å
107A66.8Low60.1Low28 Ų2898.7 Ų98.723%0.23155%0.548CS..THydrogen-bonded Turntrans-79.3124.6174.900000110.6I59 E60 W88I59-A107 WeakPolarHBondContact O-CB 3.24Å; E60-A107 PolarHBondContact O-N 2.61Å; W88-A107 HydrophobicContact CH2-CB 4.38Å; W88-A107 HydrophobicContact CZ2-CB 3.7Å
108G59.5Low58.2Low79 Ų7997.1 Ų97.181%0.81454%0.541SS*.THydrogen-bonded Turntrans112.6-15.4172.900000115.8
109V45.8Very low56.5Low87 Ų8798.9 Ų98.953%0.52754%0.543SS..SBendtrans-70.1131.3154.9-95.20000106.9V106 W111V106-V109 HydrophobicContact CB-CG2 4.05Å; V106-V109 HydrophobicContact CG1-CG2 4.26Å; V106-V109 WeakPolarHBondContact O-CG2 3.22Å; V109-W111 VanDerWaalsContact C-N 3.28Å; V109-W111 PolarHBondContact O-N 3.06Å
110G37.5Very low54.5Low72 Ų7298.1 Ų98.174%0.74255%0.549SS*.  trans-58.485.8-174.200000112.6R112G110-R112 PolarHBondContact O-N 2.67Å
111W44.5Very low52.3Low152 Ų15298 Ų9858%0.57655%0.554SS**  trans-8062.8167.2-65.6103.8000108.5V106 V109 L114V106-W111 PolarHBondContact O-NE1 3.27Å; V109-W111 VanDerWaalsContact C-N 3.28Å; V109-W111 PolarHBondContact O-N 3.06Å; W111-L114 HydrophobicContact CE3-CB 4.26Å; W111-L114 HydrophobicContact CZ3-CB 3.96Å
112R35.7Very low49.9Very low225 Ų225104 Ų10485%0.84959%0.594SS**SBendtrans-102.5101.7149.4-76.2-163.2-92.8-165.1-5105.2G110G110-R112 PolarHBondContact O-N 2.67Å
113Y39.1Very low47.7Very low199 Ų199102.5 Ų102.578%0.7860%0.601SS**SBendtrans58.681.3170.3-61.7-90.3000116.6
114L31.5Very low45.7Very low149 Ų149105.7 Ų105.778%0.7862%0.615SS**SBendtrans-126.931.3157.5-100.4163.5000112.8W111W111-L114 HydrophobicContact CE3-CB 4.26Å; W111-L114 HydrophobicContact CZ3-CB 3.96Å
115G38.3Very low43.6Very low74 Ų74108.3 Ų108.376%0.76362%0.624SS**SBendtrans-156.866.3171.300000110.8
116S36.5Very low41.6Very low62 Ų62119.6 Ų119.643%0.43467%0.666SS.*  trans-15893.5166.8-171.50000110.6Q118S116-Q118 VanDerWaalsContact C-N 3.3Å; S116-Q118 PolarHBondContact OG-O 3.04Å
117L30.3Very low39.7Very low186 Ų186121.4 Ų121.497%0.97467%0.669SS**SBendtrans-931.9138.5-85.1175.2000111.1
118Q35.4Very low38.3Very low138 Ų138124.1 Ų124.165%0.64569%0.686SS**SBendtrans-110.7117.8177.7-160.9166-43.200109.5S116S116-Q118 VanDerWaalsContact C-N 3.3Å; S116-Q118 PolarHBondContact OG-O 3.04Å
119P34.2Very low37.6Very low89 Ų89124.7 Ų124.758%0.57868%0.677SS**PPolyproline II helixtrans-57.3146.9174.723.7-31.3000109.3S121P119-S121 PolarHBondContact O-N 3.11Å
120P37.3Very low37.3Very low109 Ų109128.8 Ų128.871%0.70870%0.695SS**PPolyproline II helixtrans-51.3123.3169.821.7-30.8000107.4P122P120-P122 WeakPolarHBondContact O-CD 3.43Å; P120-P122 VanDerWaalsContact O-N 3.09Å
121S34.9Very low37.5Very low75 Ų75129.2 Ų129.252%0.52469%0.687SS.*PPolyproline II helixtrans-49.9120.1-175.738.70000109.4P119 G123P119-S121 PolarHBondContact O-N 3.11Å; S121-G123 PolarHBondContact O-N 2.97Å
122P30.2Very low37.4Very low136 Ų136128.9 Ų128.988%0.88370%0.696SS**THydrogen-bonded Turntrans-68.429.1-165.1-2233000117.4P120P120-P122 WeakPolarHBondContact O-CD 3.43Å; P120-P122 VanDerWaalsContact O-N 3.09Å
123G36.9Very low37.3Very low64 Ų64123 Ų12366%0.6669%0.686SS**THydrogen-bonded Turntrans-150.98.9-173.100000115.8S121 K125S121-G123 PolarHBondContact O-N 2.97Å; G123-K125 PolarHBondContact O-N 3.35Å
124F41Very low37.2Very low104 Ų104126 Ų12646%0.45670%0.697SS.*  trans-8998.1-175.4-132.2-114.8000110.8F127 K154F124-F127 HydrophobicContact CD1-CD2 4.23Å; F124-F127 AromaticContact CD1-CE2 3.39Å; F124-F127 HydrophobicContact CD1-CE2 3.39Å; F124-F127 HydrophobicContact CD1-CZ 4.21Å; F124-F127 HydrophobicContact CD2-CE2 4.48Å; F124-F127 AromaticContact CE1-CD2 3.86Å; F124-F127 HydrophobicContact CE1-CD2 3.86Å; F124-F127 AromaticContact CE1-CE2 3Å; F124-F127 HydrophobicContact CE1-CE2 3Å; F124-F127 AromaticContact CE1-CZ 3.59Å; F124-F127 HydrophobicContact CE1-CZ 3.59Å; F124-F127 HydrophobicContact CE2-CE2 4.19Å; F124-F127 HydrophobicContact CE2-CZ 4.06Å; F124-F127 HydrophobicContact CG-CE2 4.08Å; F124-F127 AromaticContact CZ-CE2 3.4Å; F124-F127 HydrophobicContact CZ-CE2 3.4Å; F124-F127 VanDerWaalsContact CZ-CE2 3.4Å; F124-F127 AromaticContact CZ-CZ 3.42Å; F124-F127 HydrophobicContact CZ-CZ 3.42Å; F124-F127 VanDerWaalsContact CZ-CZ 3.42Å; F124-K154 HydrophobicContact CE1-CD 3.67Å; F124-K154 VanDerWaalsContact CE1-CE 3.46Å; F124-K154 HydrophobicContact CZ-CD 3.98Å
125K38.9Very low37.5Very low174 Ų174123.7 Ų123.776%0.75769%0.692SS**PPolyproline II helixtrans-53.8145.2176.8-78.2177.2175.2-179.90110.8G123 F127G123-K125 PolarHBondContact O-N 3.35Å; K125-F127 WeakPolarHBondContact O-CD2 3.44Å; K125-F127 WeakPolarHBondContact O-CE2 2.88Å; K125-F127 PolarHBondContact O-N 2.76Å
126R38.3Very low37.5Very low249 Ų249126.2 Ų126.294%0.9468%0.679SS**PPolyproline II helixtrans-56.6118.2164.8-169.1174.9-178.6170.60.3107.9
127F42.1Very low37.4Very low98 Ų98128.6 Ų128.643%0.4369%0.687SS.*PPolyproline II helixtrans-82.8155.3-176-74.4-87.2000112.5F124 K125 C129F124-F127 HydrophobicContact CD1-CD2 4.23Å; F124-F127 AromaticContact CD1-CE2 3.39Å; F124-F127 HydrophobicContact CD1-CE2 3.39Å; F124-F127 HydrophobicContact CD1-CZ 4.21Å; F124-F127 HydrophobicContact CD2-CE2 4.48Å; F124-F127 AromaticContact CE1-CD2 3.86Å; F124-F127 HydrophobicContact CE1-CD2 3.86Å; F124-F127 AromaticContact CE1-CE2 3Å; F124-F127 HydrophobicContact CE1-CE2 3Å; F124-F127 AromaticContact CE1-CZ 3.59Å; F124-F127 HydrophobicContact CE1-CZ 3.59Å; F124-F127 HydrophobicContact CE2-CE2 4.19Å; F124-F127 HydrophobicContact CE2-CZ 4.06Å; F124-F127 HydrophobicContact CG-CE2 4.08Å; F124-F127 AromaticContact CZ-CE2 3.4Å; F124-F127 HydrophobicContact CZ-CE2 3.4Å; F124-F127 VanDerWaalsContact CZ-CE2 3.4Å; F124-F127 AromaticContact CZ-CZ 3.42Å; F124-F127 HydrophobicContact CZ-CZ 3.42Å; F124-F127 VanDerWaalsContact CZ-CZ 3.42Å; K125-F127 WeakPolarHBondContact O-CD2 3.44Å; K125-F127 WeakPolarHBondContact O-CE2 2.88Å; K125-F127 PolarHBondContact O-N 2.76Å; F127-C129 PolarHBondContact O-N 3.4Å; F127-C129 VanDerWaalsContact O-N 3.16Å
128S36Very low37.7Very low85 Ų85125.9 Ų125.959%0.59467%0.665SS**  trans-86.768.8-153.8-40.80000113.5L130S128-L130 PolarHBondContact O-N 2.9Å
129C44.2Very low37.9Very low92 Ų92128.1 Ų128.162%0.62267%0.667SS**THydrogen-bonded Turntrans-65.35.8161.438.60000113.2F127F127-C129 PolarHBondContact O-N 3.4Å; F127-C129 VanDerWaalsContact O-N 3.16Å
130L41Very low38.6Very low172 Ų172131.7 Ų131.790%0.90168%0.676SS**THydrogen-bonded Turntrans-107.88.8-179.2-66.3176.1000115.3S128S128-L130 PolarHBondContact O-N 2.9Å
131S41.7Very low39.2Very low82 Ų82133.2 Ų133.257%0.57368%0.677SS**  trans-14068.417055.90000110P133S131-P133 VanDerWaalsContact O-CD 3.26Å; S131-P133 WeakPolarHBondContact O-CD 3.05Å; S131-P133 VanDerWaalsContact O-N 3.11Å
132L41.3Very low39.6Very low145 Ų145130.7 Ų130.776%0.75966%0.659SS**  trans-41.4116.1163.8-81.9140000108.9R134L132-R134 PolarHBondContact O-N 3.43Å; L132-R134 VanDerWaalsContact O-N 3.1Å
133P34.7Very low40.4Very low101 Ų101129.9 Ų129.966%0.65665%0.654SS**  trans-56.4120.8161.9-19.131.8000106.9S131 S135S131-P133 VanDerWaalsContact O-CD 3.26Å; S131-P133 WeakPolarHBondContact O-CD 3.05Å; S131-P133 VanDerWaalsContact O-N 3.11Å; P133-S135 PolarHBondContact O-N 3.29Å
134R36.2Very low40.9Very low263 Ų263133.5 Ų133.599%0.99265%0.653SS**THydrogen-bonded Turntrans-64.616.2-175.5-152.4173.4173158.7-2.2113.7L132L132-R134 PolarHBondContact O-N 3.43Å; L132-R134 VanDerWaalsContact O-N 3.1Å
135S38Very low40.8Very low99 Ų99133.7 Ų133.769%0.69267%0.665SS**THydrogen-bonded Turntrans-121.713.7-173.991.90000114.8P133 D137P133-S135 PolarHBondContact O-N 3.29Å; S135-D137 PolarHBondContact O-N 3.22Å
136W38.9Very low40.9Very low128 Ų128125.6 Ų125.649%0.48563%0.631SS.*  trans-95.396.2174.3-145.1-106.1000110.2A18 Y138A18-W136 WeakPolarHBondContact O-CZ2 2.88Å; W136-Y138 VanDerWaalsContact C-N 3.29Å; W136-Y138 AromaticContact CD1-CD2 3.4Å; W136-Y138 AromaticContact CD1-CG 3.96Å; W136-Y138 HydrophobicContact CD2-CD2 4.03Å; W136-Y138 HydrophobicContact CD2-CE2 4.24Å; W136-Y138 AromaticContact CE2-CD2 3.35Å; W136-Y138 AromaticContact CE2-CE2 3.35Å; W136-Y138 HydrophobicContact CG-CD2 4.06Å; W136-Y138 HydrophobicContact CH2-CE2 4.25Å; W136-Y138 AromaticContact CZ2-CD2 3.9Å; W136-Y138 HydrophobicContact CZ2-CD2 3.9Å; W136-Y138 AromaticContact CZ2-CE2 3.36Å; W136-Y138 HydrophobicContact CZ2-CE2 3.36Å; W136-Y138 AromaticContact NE1-CD2 2.91Å; W136-Y138 AromaticContact NE1-CE2 3.38Å; W136-Y138 AromaticContact NE1-CG 3.59Å; W136-Y138 PolarHBondContact O-N 2.86Å
137D34.5Very low41.4Very low111 Ų111115.8 Ų115.859%0.59460%0.597SS**  trans-95.640.4179.7-139.110.9000110.7S135 R139S135-D137 PolarHBondContact O-N 3.22Å; D137-R139 PolarHBondContact O-N 3.46Å; D137-R139 WeakPolarHBondContact OD1-CG 3.39Å; D137-R139 IonicContact OD1-CZ 3.27Å; D137-R139 IonicContact OD1-NE 3.89Å; D137-R139 PolarHBondContact OD1-NE 2.87Å; D137-R139 IonicContact OD1-NH2 3.83Å; D137-R139 IonicContact OD2-CZ 3.75Å; D137-R139 IonicContact OD2-NE 3.55Å; D137-R139 IonicContact OD2-NH2 3.79Å; D137-R139 PolarHBondContact OD2-NH2 2.88Å
138Y36.7Very low41.7Very low130 Ų130111.6 Ų111.651%0.5158%0.578SS.*  trans-76.976.7164.4-82.7-103.9000108.1W136 H140W136-Y138 VanDerWaalsContact C-N 3.29Å; W136-Y138 AromaticContact CD1-CD2 3.4Å; W136-Y138 AromaticContact CD1-CG 3.96Å; W136-Y138 HydrophobicContact CD2-CD2 4.03Å; W136-Y138 HydrophobicContact CD2-CE2 4.24Å; W136-Y138 AromaticContact CE2-CD2 3.35Å; W136-Y138 AromaticContact CE2-CE2 3.35Å; W136-Y138 HydrophobicContact CG-CD2 4.06Å; W136-Y138 HydrophobicContact CH2-CE2 4.25Å; W136-Y138 AromaticContact CZ2-CD2 3.9Å; W136-Y138 HydrophobicContact CZ2-CD2 3.9Å; W136-Y138 AromaticContact CZ2-CE2 3.36Å; W136-Y138 HydrophobicContact CZ2-CE2 3.36Å; W136-Y138 AromaticContact NE1-CD2 2.91Å; W136-Y138 AromaticContact NE1-CE2 3.38Å; W136-Y138 AromaticContact NE1-CG 3.59Å; W136-Y138 PolarHBondContact O-N 2.86Å; Y138-H140 VanDerWaalsContact C-N 3.29Å; Y138-H140 PolarHBondContact O-N 3.41Å
139R39.7Very low42.2Very low184 Ų184108.5 Ų108.569%0.69455%0.554SS**  trans-77.677.4178.4-67.5-167.2-138.615211.8111.2D137D137-R139 PolarHBondContact O-N 3.46Å; D137-R139 WeakPolarHBondContact OD1-CG 3.39Å; D137-R139 IonicContact OD1-CZ 3.27Å; D137-R139 IonicContact OD1-NE 3.89Å; D137-R139 PolarHBondContact OD1-NE 2.87Å; D137-R139 IonicContact OD1-NH2 3.83Å; D137-R139 IonicContact OD2-CZ 3.75Å; D137-R139 IonicContact OD2-NE 3.55Å; D137-R139 IonicContact OD2-NH2 3.79Å; D137-R139 PolarHBondContact OD2-NH2 2.88Å
140H48.8Very low42.1Very low164 Ų164104.4 Ų104.476%0.75953%0.527SS*.  trans-14877.3152.2-67.7-61.5000108.4Y138 P142Y138-H140 VanDerWaalsContact C-N 3.29Å; Y138-H140 PolarHBondContact O-N 3.41Å; H140-P142 VanDerWaalsContact O-CD 3.28Å; H140-P142 WeakPolarHBondContact O-CD 3.41Å
141L48.2Very low42.4Very low142 Ų14296.3 Ų96.374%0.74348%0.484SS*.  trans-67.5117154.6-85.8155.1000105.6
142P44.6Very low42.3Very low22 Ų2294.2 Ų94.214%0.14347%0.466CS..  trans-58137-177.417.6-28.4000110.1H54 H140 H144H54-P142 WeakPolarHBondContact NE2-CB 3.12Å; H54-P142 WeakPolarHBondContact NE2-CG 3.35Å; H140-P142 VanDerWaalsContact O-CD 3.28Å; H140-P142 WeakPolarHBondContact O-CD 3.41Å; P142-H144 PolarHBondContact O-N 2.98Å
143P46.5Very low42.5Very low118 Ų11887.6 Ų87.677%0.76643%0.432SS*.SBendtrans-69.62.4-168.624.3-33000114.8
144H47.8Very low42.6Very low141 Ų14185.5 Ų85.565%0.65341%0.413SS*.SBendtrans-129.5137.3-171.2-67.5-12.1000112.4P142 A146P142-H144 PolarHBondContact O-N 2.98Å; H144-A146 PolarHBondContact O-N 2.82Å
145P39.2Very low43.4Very low108 Ų10873.3 Ų73.370%0.70137%0.367SS*.  trans-63.2105.9-172.623.7-32.1000111.4K80K80-P145 HydrophobicContact CD-CB 4.38Å
146A40Very low43.2Very low4 Ų469.3 Ų69.33%0.03334%0.342CS..  trans-112.2154.7-178.600000109.9F53 H144 F148F53-A146 WeakPolarHBondContact O-CB 3.28Å; H144-A146 PolarHBondContact O-N 2.82Å; A146-F148 WeakPolarHBondContact O-CD2 3.04Å; A146-F148 VanDerWaalsContact O-CE2 3.27Å; A146-F148 WeakPolarHBondContact O-CE2 3.4Å
147N49.4Very low43.3Very low43 Ų4370 Ų7023%0.2335%0.349CS..EExtended strand (participates in β ladder)trans-93.3135173.9-59.7-73.6000108.3H56 T78H56-N147 WeakPolarHBondContact CB-ND2 3.32Å; H56-N147 PolarHBondContact CD2-ND2 3.01Å; T78-N147 PolarHBondContact O-OD1 3.15Å
148F48.3Very low44.1Very low9 Ų965.1 Ų65.14%0.03932%0.323CS..EExtended strand (participates in β ladder)trans-96128.4-167.3-71.6-107.6000112.2I16 S77 S79 K80 P82 A146I16-F148 HydrophobicContact CD1-CD1 3.61Å; I16-F148 HydrophobicContact CD1-CE1 3.6Å; S77-F148 CarbonylContact C-O 3.06Å; S77-F148 VanDerWaalsContact CA-O 3.27Å; S77-F148 WeakPolarHBondContact CA-O 3.34Å; S77-F148 VanDerWaalsContact CB-O 3.27Å; S77-F148 WeakPolarHBondContact CB-O 3.27Å; S77-F148 PolarHBondContact N-O 2.88Å; S77-F148 VanDerWaalsContact N-O 3.15Å; S79-F148 WeakPolarHBondContact O-CD2 3.49Å; S79-F148 PolarHBondContact O-N 3.24Å; K80-F148 VanDerWaalsContact C-CD2 3.43Å; K80-F148 WeakPolarHBondContact O-CE2 3.25Å; K80-F148 WeakPolarHBondContact O-CZ 3.21Å; P82-F148 HydrophobicContact CB-CD1 3.87Å; P82-F148 HydrophobicContact CB-CE1 4.24Å; P82-F148 HydrophobicContact CG-CD1 4.39Å; P82-F148 HydrophobicContact CG-CE1 4.26Å; A146-F148 WeakPolarHBondContact O-CD2 3.04Å; A146-F148 VanDerWaalsContact O-CE2 3.27Å; A146-F148 WeakPolarHBondContact O-CE2 3.4Å
149F45.7Very low44.8Very low20 Ų2061.7 Ų61.79%0.08831%0.311CS..EExtended strand (participates in β ladder)trans-117.5100.4173-110.4-91.8000110.9I51 F53 I59 K76 W88 F151I51-F149 CarbonylContact C-O 3.48Å; I51-F149 PolarHBondContact N-O 3.18Å; I51-F149 CarbonylContact O-C 3.16Å; I51-F149 PolarHBondContact O-N 3.47Å; F53-F149 HydrophobicContact CD2-CB 3.67Å; F53-F149 HydrophobicContact CD2-CD2 4.33Å; F53-F149 HydrophobicContact CD2-CG 4.29Å; F53-F149 HydrophobicContact CE2-CB 3.44Å; F53-F149 VanDerWaalsContact CE2-CB 3.44Å; F53-F149 HydrophobicContact CE2-CD2 4.46Å; F53-F149 HydrophobicContact CE2-CG 4.06Å; I59-F149 HydrophobicContact CD1-CD1 3.48Å; I59-F149 VanDerWaalsContact CD1-CD1 3.48Å; I59-F149 HydrophobicContact CD1-CD2 4.17Å; I59-F149 HydrophobicContact CD1-CE1 3.16Å; I59-F149 HydrophobicContact CD1-CE2 3.89Å; I59-F149 HydrophobicContact CD1-CG 3.98Å; I59-F149 HydrophobicContact CD1-CZ 3.37Å; I59-F149 HydrophobicContact CG1-CE1 4.17Å; I59-F149 HydrophobicContact CG1-CE2 4.29Å; I59-F149 HydrophobicContact CG1-CZ 3.9Å; K76-F149 HydrophobicContact CB-CD1 3.45Å; K76-F149 VanDerWaalsContact CB-CD1 3.45Å; K76-F149 HydrophobicContact CB-CE1 3.25Å; K76-F149 HydrophobicContact CB-CG 4.2Å; K76-F149 HydrophobicContact CB-CZ 3.88Å; K76-F149 HydrophobicContact CD-CE1 3.68Å; K76-F149 HydrophobicContact CD-CZ 3.78Å; K76-F149 HydrophobicContact CG-CE1 4.08Å; K76-F149 HydrophobicContact CG-CZ 4.41Å; W88-F149 HydrophobicContact CE3-CE1 4.18Å; W88-F149 HydrophobicContact CZ3-CE1 4.23Å; F149-F151 PolarHBondContact O-N 2.91Å
150A41.9Very low45.2Very low6 Ų653.1 Ų53.15%0.0528%0.279CS..  trans-86.1114.5178.400000114I50 E75 F85 L152I50-A150 HydrophobicContact CB-CB 4.23Å; I50-A150 HydrophobicContact CD1-CB 4.14Å; I50-A150 HydrophobicContact CG1-CB 3.74Å; I50-A150 HydrophobicContact CG2-CB 3.84Å; E75-A150 CarbonylContact C-O 3.04Å; E75-A150 PolarHBondContact N-O 3.25Å; E75-A150 CarbonylContact O-C 3.18Å; F85-A150 HydrophobicContact CD1-CB 3.51Å; F85-A150 HydrophobicContact CE1-CB 2.98Å; F85-A150 HydrophobicContact CE2-CB 4.26Å; F85-A150 HydrophobicContact CG-CB 4.39Å; F85-A150 HydrophobicContact CZ-CB 3.41Å; F85-A150 VanDerWaalsContact CZ-CB 3.41Å; A150-L152 PolarHBondContact O-N 3Å; A150-L152 VanDerWaalsContact O-N 3.15Å
151F47.6Very low45.5Very low2 Ų245.9 Ų45.91%0.00925%0.249CC..  trans-81.188.3168.5-70.1-79.9000111.6F49 I51 F53 L62 I74 F149 V153F49-F151 HydrophobicContact CD2-CB 4.24Å; F49-F151 HydrophobicContact CE2-CB 3.62Å; F49-F151 HydrophobicContact CE2-CG 4.35Å; F49-F151 HydrophobicContact CZ-CB 3.98Å; F49-F151 CarbonylContact O-C 3.51Å; I51-F151 HydrophobicContact CB-CD2 4.01Å; I51-F151 HydrophobicContact CB-CE2 4.28Å; I51-F151 HydrophobicContact CD1-CD2 3.86Å; I51-F151 HydrophobicContact CD1-CE2 4.18Å; I51-F151 HydrophobicContact CG1-CD2 3.96Å; F53-F151 HydrophobicContact CE2-CE2 4.37Å; F53-F151 HydrophobicContact CZ-CE2 4.35Å; L62-F151 HydrophobicContact CD1-CE1 3.45Å; L62-F151 VanDerWaalsContact CD1-CE1 3.45Å; L62-F151 HydrophobicContact CD1-CZ 3.66Å; L62-F151 HydrophobicContact CD2-CD1 4.38Å; L62-F151 HydrophobicContact CD2-CE1 3.62Å; L62-F151 HydrophobicContact CG-CE1 4.19Å; I74-F151 HydrophobicContact CG1-CD1 4.32Å; I74-F151 HydrophobicContact CG2-CD1 3.71Å; I74-F151 HydrophobicContact CG2-CE1 3.95Å; F149-F151 PolarHBondContact O-N 2.91Å; F151-V153 VanDerWaalsContact C-N 3.27Å; F151-V153 HydrophobicContact CB-CG2 4.31Å; F151-V153 PolarHBondContact O-N 2.77Å
152L39.5Very low45.3Very low38 Ų3840.7 Ų40.720%0.19922%0.221CC..  trans-76.171.2176.1-168.3121.8000112.9E48 K73 E75 A150 K154E48-L152 HydrophobicContact CB-CD1 4.35Å; E48-L152 HydrophobicContact CB-CG 4.36Å; E48-L152 VanDerWaalsContact OE2-CD1 3.27Å; E48-L152 WeakPolarHBondContact OE2-CD1 3.28Å; K73-L152 CarbonylContact C-O 3.56Å; K73-L152 HydrophobicContact CB-CD2 4.18Å; K73-L152 WeakPolarHBondContact CB-O 3.35Å; K73-L152 HydrophobicContact CD-CD2 3.74Å; K73-L152 HydrophobicContact CG-CD2 4.17Å; K73-L152 CarbonylContact O-C 3.46Å; E75-L152 HydrophobicContact CG-CB 4.06Å; A150-L152 PolarHBondContact O-N 3Å; A150-L152 VanDerWaalsContact O-N 3.15Å; L152-K154 PolarHBondContact O-N 2.99Å
153V46.1Very low45.5Very low6 Ų639.9 Ų39.94%0.03622%0.216CC..  trans-79.995.7-177.9-171.70000111.4Q47 F49 V69 L72 K73 F151 M155Q47-V153 CarbonylContact O-C 3.54Å; F49-V153 HydrophobicContact CE1-CB 4.03Å; F49-V153 HydrophobicContact CE1-CG2 3.67Å; F49-V153 HydrophobicContact CZ-CG2 3.77Å; V69-V153 HydrophobicContact CG1-CG1 4.35Å; L72-V153 HydrophobicContact CD1-CB 3.94Å; L72-V153 HydrophobicContact CD1-CG1 3.4Å; L72-V153 VanDerWaalsContact CD1-CG1 3.4Å; L72-V153 HydrophobicContact CD1-CG2 3.5Å; K73-V153 WeakPolarHBondContact O-CA 3.36Å; K73-V153 PolarHBondContact O-N 2.96Å; F151-V153 VanDerWaalsContact C-N 3.27Å; F151-V153 HydrophobicContact CB-CG2 4.31Å; F151-V153 PolarHBondContact O-N 2.77Å; V153-M155 HydrophobicContact CB-CE 3.45Å; V153-M155 VanDerWaalsContact CB-CE 3.45Å; V153-M155 HydrophobicContact CB-CG 4.45Å; V153-M155 HydrophobicContact CG1-CE 3.09Å; V153-M155 HydrophobicContact CG1-CG 3.71Å; V153-M155 HydrophobicContact CG1-SD 4.28Å; V153-M155 HydrophobicContact CG2-CE 4.24Å; V153-M155 WeakPolarHBondContact O-CG 3.16Å; V153-M155 PolarHBondContact O-N 2.94Å
154K38Very low45.6Very low58 Ų5834.9 Ų34.925%0.25219%0.186SC..  trans-7185.5177.7-170-164.3164.3-170.70113P46 T71 F124 L152P46-K154 HydrophobicContact CB-CG 3.61Å; T71-K154 CarbonylContact O-C 3.51Å; F124-K154 HydrophobicContact CE1-CD 3.67Å; F124-K154 VanDerWaalsContact CE1-CE 3.46Å; F124-K154 HydrophobicContact CZ-CD 3.98Å; L152-K154 PolarHBondContact O-N 2.99Å
155M52Low45.5Very low6 Ų628.1 Ų28.13%0.0316%0.155CC..  trans-80.2157.7-176.9-66.2176.3-168.400113.3W39 F45 Q47 F49 V69 V153 C158 V160W39-M155 HydrophobicContact CZ3-CE 4.04Å; W39-M155 HydrophobicContact CZ3-SD 4.13Å; F45-M155 VanDerWaalsContact CD1-C 3.41Å; F45-M155 HydrophobicContact CD1-CB 4.38Å; F45-M155 WeakPolarHBondContact CD1-O 3.27Å; F45-M155 HydrophobicContact CE1-CB 4.33Å; F45-M155 WeakPolarHBondContact CG-O 3.34Å; Q47-M155 HydrophobicContact CB-CB 4.48Å; F49-M155 HydrophobicContact CE1-CE 4.13Å; V69-M155 HydrophobicContact CG2-CE 4.29Å; V69-M155 HydrophobicContact CG2-CG 4.24Å; V69-M155 HydrophobicContact CG2-SD 4.43Å; V153-M155 HydrophobicContact CB-CE 3.45Å; V153-M155 VanDerWaalsContact CB-CE 3.45Å; V153-M155 HydrophobicContact CB-CG 4.45Å; V153-M155 HydrophobicContact CG1-CE 3.09Å; V153-M155 HydrophobicContact CG1-CG 3.71Å; V153-M155 HydrophobicContact CG1-SD 4.28Å; V153-M155 HydrophobicContact CG2-CE 4.24Å; V153-M155 WeakPolarHBondContact O-CG 3.16Å; V153-M155 PolarHBondContact O-N 2.94Å; M155-C158 HydrophobicContact CB-CB 4.1Å; M155-C158 WeakPolarHBondContact CB-SG 3.39Å; M155-C158 HydrophobicContact CE-CB 4.5Å; M155-C158 HydrophobicContact CG-CB 3.95Å; M155-C158 WeakPolarHBondContact CG-SG 3.27Å; M155-C158 HydrophobicContact SD-CB 3.14Å; M155-C158 WeakPolarHBondContact SD-CB 3.47Å; M155-C158 PolarHBondContact SD-SG 3.37Å; M155-V160 HydrophobicContact CE-CG2 3.31Å; M155-V160 HydrophobicContact SD-CG2 3.85Å
156G33.1Very low45.9Very low16 Ų1625 Ų2517%0.16513%0.13CC..SBendtrans-107.9-22.7172.800000113.8F45F45-G156 WeakPolarHBondContact CD2-O 3.34Å; F45-G156 WeakPolarHBondContact CE1-O 3.04Å; F45-G156 WeakPolarHBondContact CE2-O 3.41Å; F45-G156 WeakPolarHBondContact CZ-O 3.48Å
157F41.3Very low46Very low143 Ų14325.9 Ų25.963%0.62714%0.135SC*.SBendtrans-178.6126.6167.2-80.5-75.4000107.6F45 F68F45-F157 HydrophobicContact CD2-CZ 4.42Å; F45-F157 VanDerWaalsContact CE1-CA 3.45Å; F45-F157 VanDerWaalsContact CE1-N 3.28Å; F45-F157 AromaticContact CE2-CD1 3.45Å; F45-F157 HydrophobicContact CE2-CD1 3.45Å; F45-F157 VanDerWaalsContact CE2-CD1 3.45Å; F45-F157 AromaticContact CE2-CD2 3.99Å; F45-F157 HydrophobicContact CE2-CD2 3.99Å; F45-F157 AromaticContact CE2-CE1 3.39Å; F45-F157 HydrophobicContact CE2-CE1 3.39Å; F45-F157 AromaticContact CE2-CE2 3.88Å; F45-F157 HydrophobicContact CE2-CE2 3.88Å; F45-F157 AromaticContact CE2-CG 3.73Å; F45-F157 HydrophobicContact CE2-CG 3.73Å; F45-F157 AromaticContact CE2-CZ 3.58Å; F45-F157 HydrophobicContact CE2-CZ 3.58Å; F45-F157 HydrophobicContact CZ-CB 3.97Å; F45-F157 AromaticContact CZ-CD1 3.37Å; F45-F157 HydrophobicContact CZ-CD1 3.37Å; F45-F157 HydrophobicContact CZ-CD2 4.28Å; F45-F157 AromaticContact CZ-CE1 3.82Å; F45-F157 HydrophobicContact CZ-CE1 3.82Å; F45-F157 AromaticContact CZ-CG 3.62Å; F45-F157 HydrophobicContact CZ-CG 3.62Å; F45-F157 HydrophobicContact CZ-CZ 4.37Å; F68-F157 CarbonylContact C-O 3.52Å; F68-F157 VanDerWaalsContact C-O 3.23Å; F68-F157 WeakPolarHBondContact CB-O 3.42Å
158C51.8Low45.3Very low8 Ų828.4 Ų28.45%0.05415%0.145CC..  trans-147.8146.4-170.2-730000119.2T41 V69 M155T41-C158 PolarHBondContact N-O 3.23Å; T41-C158 PolarHBondContact OG1-O 3.29Å; V69-C158 VanDerWaalsContact CA-SG 3.55Å; V69-C158 HydrophobicContact CG2-CB 4.48Å; V69-C158 WeakPolarHBondContact CG2-SG 3.46Å; M155-C158 HydrophobicContact CB-CB 4.1Å; M155-C158 WeakPolarHBondContact CB-SG 3.39Å; M155-C158 HydrophobicContact CE-CB 4.5Å; M155-C158 HydrophobicContact CG-CB 3.95Å; M155-C158 WeakPolarHBondContact CG-SG 3.27Å; M155-C158 HydrophobicContact SD-CB 3.14Å; M155-C158 WeakPolarHBondContact SD-CB 3.47Å; M155-C158 PolarHBondContact SD-SG 3.37Å
159H52.4Low44.4Very low58 Ų5831.9 Ų31.927%0.26917%0.167SC..EExtended strand (participates in β ladder)trans-114124.6149.9-55.1-67.1000107.3F38 T40 Y67 F68F38-H159 HydrophobicContact CD2-CB 4.05Å; F38-H159 HydrophobicContact CE2-CB 4.31Å; F38-H159 AromaticContact CE2-ND1 3.61Å; T40-H159 PolarHBondContact OG1-CE1 3.21Å; T40-H159 VanDerWaalsContact OG1-CE1 3.28Å; T40-H159 PolarHBondContact OG1-ND1 2.91Å; Y67-H159 HydrophobicContact CD2-CB 4.38Å; Y67-H159 PolarHBondContact N-O 2.65Å; Y67-H159 PolarHBondContact O-N 3Å; F68-H159 AromaticContact CD2-CD2 3.97Å; F68-H159 AromaticContact CE2-CD2 3.88Å
160V47.2Very low44.2Very low3 Ų336.2 Ų36.22%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-102.2106.7176.4-176.30000108.4F38 W39 M155F38-V160 WeakPolarHBondContact CA-O 3.2Å; F38-V160 WeakPolarHBondContact CB-O 3.34Å; W39-V160 HydrophobicContact CE3-CB 4.02Å; W39-V160 HydrophobicContact CE3-CG2 3.56Å; W39-V160 HydrophobicContact CZ3-CG2 3.91Å; W39-V160 PolarHBondContact N-O 2.87Å; W39-V160 PolarHBondContact O-N 3.15Å; M155-V160 HydrophobicContact CE-CG2 3.31Å; M155-V160 HydrophobicContact SD-CG2 3.85Å
161G55.2Low43.9Very low12 Ų1238.5 Ų38.512%0.12422%0.224CC..  trans-90.9103.1170.400000108.8Q65Q65-G161 CarbonylContact C-O 3.52Å; Q65-G161 WeakPolarHBondContact CA-O 3.27Å; Q65-G161 WeakPolarHBondContact CB-O 3.31Å; Q65-G161 CarbonylContact O-C 3.49Å; Q65-G161 PolarHBondContact O-N 3.17Å
162Q44.5Very low43.2Very low34 Ų3446 Ų4616%0.15926%0.264CS..  trans49.7123.1171.7-161.1176.2-21.900117.9Q65Q65-Q162 WeakPolarHBondContact CB-O 3.34Å; Q65-Q162 PolarHBondContact N-O 2.92Å
163A48.8Very low42.8Very low5 Ų552.1 Ų52.14%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-100.7120.8165.800000109C7 I30C7-A163 VanDerWaalsContact CB-O 3.23Å; C7-A163 WeakPolarHBondContact CB-O 3.29Å; C7-A163 PolarHBondContact SG-O 3.41Å; I30-A163 HydrophobicContact CG2-CB 4.01Å
164G48.6Very low42.4Very low12 Ų1257.4 Ų57.412%0.12433%0.331CS..EExtended strand (participates in β ladder)trans-106138.9178.400000111.8D5 V63D5-G164 WeakPolarHBondContact OD2-CA 3.18Å; V63-G164 CarbonylContact C-O 3.6Å; V63-G164 WeakPolarHBondContact CA-O 3.42Å; V63-G164 PolarHBondContact N-O 3.37Å; V63-G164 PolarHBondContact O-N 2.93Å
165L45.9Very low42Very low0 Ų061.3 Ų61.30%036%0.36CS..EExtended strand (participates in β ladder)trans-127107.8-178.3-176.962.8000110.9I4 D5 L6 C7 F53 I59 R61 L62I4-L165 VanDerWaalsContact O-O 3.05Å; D5-L165 CarbonylContact C-O 3.23Å; D5-L165 VanDerWaalsContact CA-O 3.27Å; D5-L165 WeakPolarHBondContact CA-O 3.35Å; D5-L165 PolarHBondContact OD1-N 3.49Å; L6-L165 HydrophobicContact CB-CB 4.3Å; L6-L165 HydrophobicContact CB-CD2 3.94Å; L6-L165 HydrophobicContact CB-CG 4.19Å; L6-L165 HydrophobicContact CD1-CD2 4.33Å; L6-L165 HydrophobicContact CD1-CG 4.44Å; L6-L165 PolarHBondContact N-O 2.84Å; C7-L165 HydrophobicContact CB-CB 3.9Å; F53-L165 HydrophobicContact CE1-CD2 3.64Å; F53-L165 HydrophobicContact CE2-CD2 4.12Å; F53-L165 HydrophobicContact CZ-CD2 3.3Å; I59-L165 HydrophobicContact CB-CD1 4.12Å; I59-L165 HydrophobicContact CD1-CD1 3.86Å; I59-L165 HydrophobicContact CD1-CD2 3.62Å; I59-L165 HydrophobicContact CD1-CG 4.34Å; I59-L165 HydrophobicContact CG1-CD1 3.91Å; I59-L165 HydrophobicContact CG1-CD2 3.77Å; I59-L165 HydrophobicContact CG1-CG 4.26Å; I59-L165 HydrophobicContact CG2-CD1 3.3Å; I59-L165 HydrophobicContact CG2-CG 4.39Å; R61-L165 WeakPolarHBondContact O-CD1 2.83Å; L62-L165 HydrophobicContact CB-CD1 4.24Å; L62-L165 HydrophobicContact CD1-CD1 3.87Å
166E46.1Very low41Very low41 Ų4166.4 Ų66.419%0.19240%0.396CS..EExtended strand (participates in β ladder)trans-99.1130.3-177.1-66-172.2171.700112.9K3 I4 R61K3-E166 HydrophobicContact CB-CG 4.38Å; K3-E166 WeakPolarHBondContact CD-OE1 3.43Å; K3-E166 WeakPolarHBondContact CD-OE2 3.47Å; K3-E166 WeakPolarHBondContact CE-OE2 3.14Å; K3-E166 VanDerWaalsContact NZ-CD 3.33Å; K3-E166 IonicContact NZ-OE1 2.66Å; K3-E166 PolarHBondContact NZ-OE1 2.61Å; K3-E166 IonicContact NZ-OE2 2.73Å; K3-E166 PolarHBondContact NZ-OE2 3.36Å; I4-E166 WeakPolarHBondContact O-CA 3.43Å; R61-E166 HydrophobicContact CB-CB 4.38Å; R61-E166 IonicContact CZ-OE2 3.05Å; R61-E166 PolarHBondContact N-O 2.86Å; R61-E166 VanDerWaalsContact N-O 3.13Å; R61-E166 IonicContact NE-OE2 3.74Å; R61-E166 PolarHBondContact NE-OE2 2.7Å; R61-E166 IonicContact NH2-OE2 3.15Å; R61-E166 PolarHBondContact NH2-OE2 3.37Å; R61-E166 PolarHBondContact O-N 3.24Å
167L43.3Very low40.7Very low23 Ų2370.4 Ų70.412%0.1243%0.428CS..EExtended strand (participates in β ladder)trans-108.9142.7166.7169.7131.8000111.7I4 L6 R58 T169I4-L167 PolarHBondContact O-N 2.66Å; L6-L167 HydrophobicContact CD1-CB 3.74Å; L6-L167 HydrophobicContact CG-CB 4.4Å; R58-L167 HydrophobicContact CB-CD1 4.11Å; R58-L167 WeakPolarHBondContact O-CD1 3.45Å; L167-T169 HydrophobicContact CD2-CG2 3.46Å; L167-T169 VanDerWaalsContact CD2-CG2 3.46Å; L167-T169 VanDerWaalsContact CD2-N 3.32Å
168Q33.3Very low40.3Very low96 Ų9669.4 Ų69.445%0.44944%0.438SS..  trans-92.1113.6153.7-56.9-170.91.500110M1 E60 S170M1-Q168 HydrophobicContact CE-CB 3.69Å; E60-Q168 WeakPolarHBondContact OE2-CA 3.46Å; E60-Q168 WeakPolarHBondContact OE2-CB 3.23Å; E60-Q168 VanDerWaalsContact OE2-CG 3.31Å; E60-Q168 WeakPolarHBondContact OE2-CG 2.96Å; E60-Q168 PolarHBondContact OE2-N 2.74Å; Q168-S170 PolarHBondContact O-N 3.05Å
169T30.2Very low39.7Very low83 Ų8378.1 Ų78.151%0.50948%0.478SS..  trans-70.494.717117.30000109.7M1 L167 G171M1-T169 WeakPolarHBondContact CE-O 2.97Å; L167-T169 HydrophobicContact CD2-CG2 3.46Å; L167-T169 VanDerWaalsContact CD2-CG2 3.46Å; L167-T169 VanDerWaalsContact CD2-N 3.32Å; T169-G171 VanDerWaalsContact C-N 3.29Å; T169-G171 PolarHBondContact O-N 2.97Å
170S40.9Very low38.7Very low110 Ų11081.3 Ų81.377%0.76951%0.507SS*.  trans-7382164.3170.30000110Q168Q168-S170 PolarHBondContact O-N 3.05Å
171G36.2Very low37.9Very low54 Ų5486 Ų8656%0.55755%0.546SS*.  trans-83.2129.5148.500000106.9T169T169-G171 VanDerWaalsContact C-N 3.29Å; T169-G171 PolarHBondContact O-N 2.97Å
172D32.7Very low36.7Very low161 Ų16188.7 Ų88.786%0.86157%0.574SS**  -153.4152.355.3-62.7-47.4000113.3
173L31.3Very low36.1Very low165 Ų16595.2 Ų95.286%0.86461%0.608SS**  trans-87.7146.4159-99.7150.4000108.9
174P38.6Very low35.2Very low117 Ų117101.8 Ų101.876%0.7665%0.648SS**  trans-80.3134.3-16133.2-32.1000111.4
175T29.3Very low34.2Very low141 Ų141104.5 Ų104.587%0.86568%0.676SS**  trans-120.1115.7159.8-52.50000108
176S31.4Very low33.5Very low112 Ų112110 Ų11078%0.78371%0.71SS**  trans-62.5151.2176.1-78.10000113
177A26.8Very low32.8Very low101 Ų101112.9 Ų112.984%0.83573%0.734SS**  trans74.1111.7157.100000118.2
178S32.9Very low32.1Very low121 Ų121119.8 Ų119.885%0.84677%0.765SS**  -165.5130.599.7-171.50000110.4
179Q38.4Very low32Very low192 Ų192121.4 Ų121.490%0.89779%0.785SS**  trans-66.8138.2174.2-72.8167.2-33.300110.7
180S32.2Very low31.8Very low124 Ų124121.9 Ų121.987%0.86780%0.798SS**  trans-144.4126.1145.240.30000108.9
181A29.4Very low31.5Very low103 Ų103128.3 Ų128.385%0.85181%0.805SS**  trans-97.6155-175.200000110.9
182G29.8Very low31.1Very low68 Ų68131.9 Ų131.970%0.70182%0.819SS**  trans93.3126.6172.200000111.7
183I31.6Very low30.7Very low170 Ų170127.5 Ų127.587%0.87281%0.812SS**  cis-167143.235.624.3170.2000110.3
184T30.6Very low30.5Very low143 Ų143129 Ų12988%0.87781%0.811SS**  trans-12.1130.2160.3-43.10000118
185G28.4Very low29.7Very low70 Ų70126.9 Ų126.972%0.72280%0.804SS**  trans-168.471.8169.300000114.8
186V30.7Very low29.4Very low116 Ų116127.1 Ų127.170%0.70380%0.8SS**  trans47.2111.7146.4179.60000118.7H188V186-H188 VanDerWaalsContact CG1-CD2 3.47Å; V186-H188 WeakPolarHBondContact CG1-CD2 3.38Å; V186-H188 WeakPolarHBondContact CG1-NE2 3.26Å
187S31Very low28.8Very low101 Ų101129.9 Ų129.971%0.70680%0.798SS**  trans-80126.2170.7-167.50000111.3
188H28.6Very low28.4Very low168 Ų168134 Ų13478%0.77880%0.797SS**  trans-137.3112.4158-73.6-66.2000110.5V186 A190V186-H188 VanDerWaalsContact CG1-CD2 3.47Å; V186-H188 WeakPolarHBondContact CG1-CD2 3.38Å; V186-H188 WeakPolarHBondContact CG1-NE2 3.26Å; H188-A190 PolarHBondContact O-N 2.97Å
189C31Very low27.8Very low129 Ų129139.4 Ų139.487%0.87280%0.799SS**  trans-66.8116171.7-60.10000110.5
190A26.3Very low26.9Very low93 Ų93140.3 Ų140.377%0.76979%0.794SS**  trans-118.2116.816000000108.8H188H188-A190 PolarHBondContact O-N 2.97Å
191R34.5Very low26.4Very low246 Ų246145.9 Ų145.993%0.92880%0.796SS**PPolyproline II helixtrans-51.9132174-70.4168.2158.9-176.1-6.4110.6G193R191-G193 PolarHBondContact O-N 3.44Å
192P26.8Very low26Very low129 Ų129147.3 Ų147.384%0.83879%0.794SS**PPolyproline II helixtrans-82.2118.8163.814.5-0.4000109.1
193G25.5Very low25.6Very low69 Ų69147.2 Ų147.271%0.71179%0.793SS**PPolyproline II helixtrans-57.2147.316700000110.9R191 A195R191-G193 PolarHBondContact O-N 3.44Å; G193-A195 PolarHBondContact O-N 3.44Å
194K27Very low25.2Very low196 Ų196148.5 Ų148.585%0.85279%0.792SS**  trans-57.2103.6173.8-66.9178177.2-178.50109.4N196K194-N196 PolarHBondContact O-N 2.72Å
195A22Very low24.8Very low73 Ų73146.4 Ų146.460%0.60379%0.79SS**  trans-79.495.9163.700000107.9G193 F197G193-A195 PolarHBondContact O-N 3.44Å; A195-F197 HydrophobicContact CB-CD2 4.23Å; A195-F197 HydrophobicContact CB-CE2 3.75Å; A195-F197 HydrophobicContact CB-CZ 4.39Å; A195-F197 PolarHBondContact O-N 3.34Å
196N22Very low24.9Very low146 Ų146152 Ų15278%0.78179%0.794SS**  trans-68.1106.1163.7-71.5-62000107.8K194 K198K194-N196 PolarHBondContact O-N 2.72Å; N196-K198 PolarHBondContact O-N 3.22Å; N196-K198 VanDerWaalsContact O-N 3.1Å
197F19.7Very low24.7Very low169 Ų169155.2 Ų155.274%0.74180%0.802SS**  trans-79.993.9169.2-77.1-84000109.3A195 W199A195-F197 HydrophobicContact CB-CD2 4.23Å; A195-F197 HydrophobicContact CB-CE2 3.75Å; A195-F197 HydrophobicContact CB-CZ 4.39Å; A195-F197 PolarHBondContact O-N 3.34Å; F197-W199 PolarHBondContact O-N 3.24Å
198K18.9Very low24.7Very low188 Ų188158.3 Ų158.382%0.81780%0.803SS**  trans-71.8102.4162.9179.6176.1-177.7173.30107.6N196 R200N196-K198 PolarHBondContact O-N 3.22Å; N196-K198 VanDerWaalsContact O-N 3.1Å; K198-R200 PolarHBondContact O-N 2.97Å; K198-R200 VanDerWaalsContact O-N 3.16Å
199W20Very low24.9Very low234 Ų234153.4 Ų153.489%0.88679%0.785SS**  trans-67.9114.1168.1-70.5101000108.9F197F197-W199 PolarHBondContact O-N 3.24Å
200R17.9Very low24.9Very low212 Ų212153.4 Ų153.480%0.878%0.784SS**  trans-79.5116.6177.9-161-177.6-70.7-114.16.3106.6K198 V202K198-R200 PolarHBondContact O-N 2.97Å; K198-R200 VanDerWaalsContact O-N 3.16Å; R200-V202 PolarHBondContact O-N 2.89Å; R200-V202 VanDerWaalsContact O-N 3.09Å
201R22.1Very low25.5Very low240 Ų240157.8 Ų157.891%0.90678%0.781SS**  trans-56.5110.8170.3-175.5-175.6-64.4162.7-1.4108.3
202V20.9Very low25.1Very low133 Ų133153.9 Ų153.981%0.80677%0.767SS**  trans-123.6118.5166.1-178.10000105.9R200R200-V202 PolarHBondContact O-N 2.89Å; R200-V202 VanDerWaalsContact O-N 3.09Å
203G22.4Very low25.5Very low66 Ų66153.6 Ų153.668%0.6876%0.763SS**  trans156.4104.5179.500000110.2
204K23.1Very low25.8Very low197 Ų197165.6 Ų165.686%0.85779%0.787SS**  trans-65.8153-174.6-67.4171.5178.2173.20110.6F206K204-F206 PolarHBondContact O-N 3.48Å; K204-F206 VanDerWaalsContact O-N 3.08Å
205A22.8Very low25.7Very low100 Ų100164.1 Ų164.183%0.82678%0.783SS**  trans-52.9115.516800000109.4Q207A205-Q207 PolarHBondContact O-N 2.78Å
206F30.5Very low25.9Very low187 Ų187168.8 Ų168.882%0.8279%0.793SS**  trans-67.4113.2166-94.1-95.4000107.2K204K204-F206 PolarHBondContact O-N 3.48Å; K204-F206 VanDerWaalsContact O-N 3.08Å
207Q25.9Very low26.2Very low184 Ų184170.1 Ų170.186%0.8679%0.794SS**PPolyproline II helixtrans-60.9138.8169.4-83.6178.2-16.900108.8A205A205-Q207 PolarHBondContact O-N 2.78Å
208K31.2Very low26.5Very low166 Ų166170.2 Ų170.272%0.72280%0.797SS**PPolyproline II helixtrans-47.6136.8174.7-66.8-178.1174.7-174.50110.5
209P32Very low27Very low64 Ų64169.1 Ų169.142%0.41680%0.795SS.*PPolyproline II helixtrans-58.5143.8169.8-20.330.8000110.7W211 Y212P209-W211 HydrophobicContact CB-CD2 4.24Å; P209-W211 HydrophobicContact CB-CG 4.35Å; P209-W211 HydrophobicContact CB-CZ2 4.1Å; P209-W211 HydrophobicContact CG-CZ2 4.2Å; P209-W211 PolarHBondContact O-N 2.98Å; P209-Y212 PolarHBondContact O-N 3.1Å; P209-Y212 VanDerWaalsContact O-N 3.12Å
210P32.3Very low27.5Very low130 Ų130164.7 Ų164.784%0.84479%0.789SS**THydrogen-bonded Turntrans-60.4-12.8-174.7-2331.9000115.7
211W37Very low28.2Very low185 Ų185161.4 Ų161.470%0.70179%0.789SS**THydrogen-bonded Turntrans-93.5-1.8-178.551.5-98.5000113.7P209 T213P209-W211 HydrophobicContact CB-CD2 4.24Å; P209-W211 HydrophobicContact CB-CG 4.35Å; P209-W211 HydrophobicContact CB-CZ2 4.1Å; P209-W211 HydrophobicContact CG-CZ2 4.2Å; P209-W211 PolarHBondContact O-N 2.98Å; W211-T213 PolarHBondContact O-N 3.16Å
212Y27.7Very low28.6Very low164 Ų164155.3 Ų155.364%0.64378%0.78SS**  trans-82.668.3174.3-153.2-91.8000111.3P209P209-Y212 PolarHBondContact O-N 3.1Å; P209-Y212 VanDerWaalsContact O-N 3.12Å
213T34.1Very low29.3Very low122 Ų122157.2 Ų157.275%0.74878%0.777SS**  trans-14184.1164.241.90000110W211W211-T213 PolarHBondContact O-N 3.16Å
214R32.3Very low29.9Very low321 Ų321165.5 Ų165.5100%1.21179%0.786SS**  -175.40121-123179.4-174.3-167.41111.7

Retrieved 214 of 214 residues in 92.1 ms (Link to these results)

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