X5J5G2_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5G2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 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
1G39.2Very low66.8Low126 Ų12695.6 Ų95.6100%1.29959%0.593SS**  0124000000107.6V3G1-V3 PolarHBondContact O-N 3.17Å
2L39.3Very low69.2Low182 Ų18293.8 Ų93.895%0.95358%0.581SS**  trans-72.3109.9-175.3-150.487.3000108.8K4L2-K4 PolarHBondContact O-N 3.19Å
3V45.8Very low71.3Confident67 Ų6787.6 Ų87.641%0.40654%0.543SS..PPolyproline II helixtrans-65.6125.5176.6-169.70000108G1G1-V3 PolarHBondContact O-N 3.17Å
4K51.5Low73Confident170 Ų17087 Ų8774%0.73954%0.539SS*.PPolyproline II helixtrans-68127.8173.6-78.3-178.4179.6179.40108.2L2L2-K4 PolarHBondContact O-N 3.19Å
5P54.6Low74.3Confident102 Ų10282.4 Ų82.466%0.66251%0.511SS*.SBendtrans-52.4143.2167.6-2030.1000109.4
6S64Low75.3Confident100 Ų10084.1 Ų84.170%0.69952%0.52SS*.  trans9425.5-179.8-460000117.3
7Q77.8Confident76Confident111 Ų11184.2 Ų84.252%0.51954%0.542SS..  trans-84.6140.2165.2-73.6-175.1-29.900111.5L78Q7-L78 PolarHBondContact O-N 3.34Å
8T86.3Confident76.7Confident78 Ų7882.4 Ų82.448%0.47953%0.527SS..  trans-93.8131.9166.8-59.90000108.2E74 M75 N76T8-E74 HydrophobicContact CG2-CG 3.51Å; T8-M75 WeakPolarHBondContact CA-O 3.33Å; T8-N76 WeakPolarHBondContact CB-OD1 3.45Å; T8-N76 WeakPolarHBondContact CG2-OD1 3.34Å; T8-N76 PolarHBondContact OG1-OD1 3.11Å
9V88.4Confident77.5Confident28 Ų2880.2 Ų80.217%0.1751%0.514CS..EExtended strand (participates in β ladder)trans-107.8140.716875.30000109.4L11 E74 M75 L78 V106V9-L11 HydrophobicContact CG2-CD2 3.86Å; V9-L11 HydrophobicContact CG2-CG 4.28Å; V9-E74 VanDerWaalsContact O-CA 3.31Å; V9-E74 WeakPolarHBondContact O-CA 3.27Å; V9-M75 HydrophobicContact CG1-CB 4.05Å; V9-M75 PolarHBondContact N-O 3.31Å; V9-M75 PolarHBondContact O-N 2.95Å; V9-L78 HydrophobicContact CB-CD1 3.65Å; V9-L78 HydrophobicContact CG1-CD1 3.65Å; V9-V106 HydrophobicContact CG2-CG1 4.45Å; V9-V106 HydrophobicContact CG2-CG2 4.25Å
10S92.8Very high78.3Confident78 Ų7876.2 Ų76.255%0.54549%0.488SS..EExtended strand (participates in β ladder)trans-119.4120.1169.1-171.70000108.6L73S10-L73 CarbonylContact C-O 3.58Å; S10-L73 WeakPolarHBondContact CA-O 3.38Å
11L95Very high79Confident10 Ų1075.3 Ų75.35%0.05248%0.482CS..EExtended strand (participates in β ladder)trans-109141.1177-57.2-179000109.5V9 W29 F72 L73 Y86 T104 V106V9-L11 HydrophobicContact CG2-CD2 3.86Å; V9-L11 HydrophobicContact CG2-CG 4.28Å; L11-W29 HydrophobicContact CB-CH2 3.7Å; L11-W29 HydrophobicContact CB-CZ2 4.38Å; L11-W29 HydrophobicContact CB-CZ3 3.98Å; L11-W29 HydrophobicContact CD1-CZ3 4.2Å; L11-F72 CarbonylContact O-C 3.56Å; L11-F72 WeakPolarHBondContact O-CA 3.41Å; L11-L73 HydrophobicContact CB-CB 4.33Å; L11-L73 HydrophobicContact CD1-CD2 4.23Å; L11-L73 PolarHBondContact N-O 3.37Å; L11-L73 PolarHBondContact O-N 2.96Å; L11-Y86 HydrophobicContact CD1-CD1 3.76Å; L11-Y86 HydrophobicContact CD1-CD2 4.32Å; L11-Y86 HydrophobicContact CD1-CG 3.56Å; L11-T104 HydrophobicContact CD2-CG2 3.9Å; L11-V106 HydrophobicContact CD1-CG2 4.29Å; L11-V106 HydrophobicContact CD2-CG2 4.12Å
12T96.3Very high81.3Confident74 Ų7473.4 Ų73.445%0.45445%0.445SS..EExtended strand (participates in β ladder)trans-116.2132.7178.1-58.60000109.7Q70 F72T12-Q70 HydrophobicContact CG2-CB 4.39Å; T12-Q70 HydrophobicContact CG2-CG 4.1Å; T12-F72 HydrophobicContact CG2-CD1 3.86Å; T12-F72 HydrophobicContact CG2-CE1 3.47Å; T12-F72 VanDerWaalsContact CG2-CE1 3.47Å; T12-F72 HydrophobicContact CG2-CZ 4.36Å; T12-F72 VanDerWaalsContact OG1-CD1 3.27Å; T12-F72 WeakPolarHBondContact OG1-CD1 3.41Å; T12-F72 WeakPolarHBondContact OG1-CE1 3.3Å
13C95.7Very high83.3Confident13 Ų1366.1 Ų66.19%0.08841%0.414CS..EExtended strand (participates in β ladder)trans-114.7121166.3-1750000109.5W29 Q70 F71 C88C13-W29 HydrophobicContact CB-CH2 3.81Å; C13-W29 HydrophobicContact CB-CZ2 3.83Å; C13-Q70 VanDerWaalsContact O-CA 3.3Å; C13-Q70 WeakPolarHBondContact O-CA 3.39Å; C13-F71 HydrophobicContact CB-CD1 3.98Å; C13-F71 HydrophobicContact CB-CD2 4.46Å; C13-F71 HydrophobicContact CB-CE1 3.6Å; C13-F71 HydrophobicContact CB-CE2 4.11Å; C13-F71 HydrophobicContact CB-CG 4.42Å; C13-F71 HydrophobicContact CB-CZ 3.71Å; C13-F71 PolarHBondContact N-O 3.28Å; C13-F71 PolarHBondContact O-N 2.85Å; C13-F71 WeakPolarHBondContact SG-CE1 3.42Å; C13-C88 HydrophobicContact CB-CB 3.4Å; C13-C88 WeakPolarHBondContact CB-SG 3.4Å; C13-C88 WeakPolarHBondContact SG-CB 3.44Å; C13-C88 CovalentContact SG-SG 2.04Å; C13-C88 PolarHBondContact SG-SG 2.78Å
14T95.2Very high85.3Confident79 Ų7965.7 Ų65.749%0.48541%0.409SS..EExtended strand (participates in β ladder)trans-95.8126.3174.4-56.30000109.1Q70T14-Q70 HydrophobicContact CG2-CG 4.15Å; T14-Q70 WeakPolarHBondContact OG1-CG 3.23Å; T14-Q70 PolarHBondContact OG1-NE2 2.66Å
15V92.4Very high87.2Confident18 Ų1858.9 Ų58.911%0.10938%0.379CS..  trans-94135.6176.8179.70000109.1I18 I20 W27 N69 F71V15-I18 HydrophobicContact CG1-CG1 3.99Å; V15-I18 WeakPolarHBondContact CG1-O 3.49Å; V15-I20 HydrophobicContact CB-CG2 3.72Å; V15-I20 HydrophobicContact CG1-CG2 4.23Å; V15-I20 HydrophobicContact CG2-CG2 3.46Å; V15-I20 VanDerWaalsContact CG2-CG2 3.46Å; V15-W27 HydrophobicContact CB-CH2 4.49Å; V15-W27 HydrophobicContact CB-CZ3 4.4Å; V15-W27 HydrophobicContact CG1-CH2 3.61Å; V15-W27 HydrophobicContact CG1-CZ3 3.8Å; V15-W27 HydrophobicContact CG2-CE3 3.95Å; V15-W27 HydrophobicContact CG2-CH2 4.13Å; V15-W27 HydrophobicContact CG2-CZ3 3.65Å; V15-N69 PolarHBondContact N-O 2.8Å; V15-N69 PolarHBondContact O-ND2 3.41Å; V15-F71 HydrophobicContact CG2-CD1 4.08Å; V15-F71 HydrophobicContact CG2-CE1 3.76Å
16T90.2Very high88.9Confident109 Ų10956.7 Ų56.767%0.66936%0.358SS*.  trans-120.2153177.258.30000110.1I18T16-I18 PolarHBondContact O-N 2.9Å
17G87.9Confident90.4Very high86 Ų8652.2 Ų52.289%0.88733%0.326SS*.SBendtrans77.7-21175.900000116.5
18I88.7Confident91.2Very high53 Ų5347.4 Ų47.427%0.27230%0.304SS..SBendtrans-144.7158.6173.857.4163.2000111.7V15 T16 Y25 W27 N69V15-I18 HydrophobicContact CG1-CG1 3.99Å; V15-I18 WeakPolarHBondContact CG1-O 3.49Å; T16-I18 PolarHBondContact O-N 2.9Å; I18-Y25 HydrophobicContact CD1-CD2 4Å; I18-Y25 HydrophobicContact CD1-CE2 3.63Å; I18-W27 HydrophobicContact CD1-CH2 3.61Å; I18-W27 HydrophobicContact CD1-CZ2 4.19Å; I18-W27 HydrophobicContact CG1-CH2 4.13Å; I18-N69 PolarHBondContact O-ND2 2.82Å
19S91.8Very high91.7Very high39 Ų3943.9 Ų43.927%0.27328%0.282SS..  trans-82.4140175.2171.60000112.4T21 T22 N69S19-T21 PolarHBondContact O-N 2.87Å; S19-T21 PolarHBondContact OG-N 3.28Å; S19-T21 PolarHBondContact OG-OG1 3.04Å; S19-T22 WeakPolarHBondContact CB-OG1 3.37Å; S19-T22 PolarHBondContact O-N 2.76Å; S19-N69 WeakPolarHBondContact CA-OD1 3.19Å
20I92.9Very high92Very high1 Ų143.2 Ų43.21%0.00528%0.277CS..THydrogen-bonded Turntrans-66-12.2175.261.8172.5000114.4V15 W27 R64 T66 N69 Q70V15-I20 HydrophobicContact CB-CG2 3.72Å; V15-I20 HydrophobicContact CG1-CG2 4.23Å; V15-I20 HydrophobicContact CG2-CG2 3.46Å; V15-I20 VanDerWaalsContact CG2-CG2 3.46Å; I20-W27 HydrophobicContact CB-CZ2 4.22Å; I20-W27 HydrophobicContact CG2-CD2 4.25Å; I20-W27 HydrophobicContact CG2-CH2 4.42Å; I20-W27 HydrophobicContact CG2-CZ2 4.05Å; I20-W27 PolarHBondContact O-NE1 2.82Å; I20-R64 HydrophobicContact CD1-CB 3.94Å; I20-R64 HydrophobicContact CD1-CG 4.41Å; I20-T66 HydrophobicContact CD1-CG2 4.24Å; I20-T66 HydrophobicContact CG1-CG2 4.4Å; I20-N69 WeakPolarHBondContact CG2-OD1 3.37Å; I20-N69 PolarHBondContact N-OD1 2.92Å; I20-Q70 WeakPolarHBondContact CD1-O 3.46Å
21T93.4Very high92Very high58 Ų5840 Ų4036%0.35625%0.253SS..THydrogen-bonded Turntrans-103.1-4.7177.860.30000113.4S19 Y46 T66S19-T21 PolarHBondContact O-N 2.87Å; S19-T21 PolarHBondContact OG-N 3.28Å; S19-T21 PolarHBondContact OG-OG1 3.04Å; T21-Y46 WeakPolarHBondContact O-CD2 3.21Å; T21-T66 HydrophobicContact CG2-CG2 3.33Å
22T86.9Confident92Very high86 Ų8641.7 Ų41.753%0.52826%0.261SS..SBendtrans-97.5130.8-175.5-59.60000111.1S19 Y25S19-T22 WeakPolarHBondContact CB-OG1 3.37Å; S19-T22 PolarHBondContact O-N 2.76Å; T22-Y25 WeakPolarHBondContact O-CD2 3.45Å; T22-Y25 WeakPolarHBondContact O-CE2 3.31Å
23G82.2Confident91.9Very high29 Ų2940 Ų4030%0.29925%0.248SC..SBendtrans76.7169.2173.900000113.9Y25 Y46G23-Y25 PolarHBondContact O-N 3Å; G23-Y46 WeakPolarHBondContact O-CB 3.29Å; G23-Y46 WeakPolarHBondContact O-CD1 3.46Å
24N87.8Confident91.7Very high58 Ų5844.9 Ų44.931%0.3128%0.279SS..SBendtrans-75.245.4-175.7-69.2-25.8000113.4Y45 Y46N24-Y45 VanDerWaalsContact CB-OH 3.27Å; N24-Y45 WeakPolarHBondContact CB-OH 3.49Å; N24-Y45 PolarHBondContact OD1-OH 2.93Å; N24-Y46 WeakPolarHBondContact OD1-CE1 3.32Å
25Y90.1Very high91.5Very high27 Ų2744.6 Ų44.611%0.10629%0.292CS..EExtended strand (participates in β ladder)trans-85.7140.9-179.2-64.3-61.9000112.6I18 T22 G23 W27 Y45 Y46 R90 Y91 R92I18-Y25 HydrophobicContact CD1-CD2 4Å; I18-Y25 HydrophobicContact CD1-CE2 3.63Å; T22-Y25 WeakPolarHBondContact O-CD2 3.45Å; T22-Y25 WeakPolarHBondContact O-CE2 3.31Å; G23-Y25 PolarHBondContact O-N 3Å; Y25-W27 HydrophobicContact CD2-CZ2 4.04Å; Y25-W27 HydrophobicContact CG-CZ2 4.13Å; Y25-Y45 WeakPolarHBondContact O-CD2 3.3Å; Y25-Y46 PolarHBondContact O-N 3.36Å; Y25-R90 HydrophobicContact CD1-CG 3.67Å; Y25-R90 HydrophobicContact CE1-CG 4.26Å; Y25-R90 HydrophobicContact CG-CG 4.09Å; Y25-Y91 CarbonylContact C-O 3.45Å; Y25-Y91 VanDerWaalsContact CA-O 3.27Å; Y25-Y91 WeakPolarHBondContact CA-O 3.41Å; Y25-R92 HydrophobicContact CD1-CB 3.6Å; Y25-R92 HydrophobicContact CD1-CG 4.05Å; Y25-R92 HydrophobicContact CE1-CB 3.6Å; Y25-R92 HydrophobicContact CE1-CG 3.95Å
26R92.2Very high91.2Very high55 Ų5549.8 Ų49.821%0.20832%0.319CS..EExtended strand (participates in β ladder)trans-104.5126.6163.9-66.2176.2-179.2153.2-8.3108.4Y43 Y45 Y91R26-Y43 HydrophobicContact CB-CD2 4.15Å; R26-Y43 HydrophobicContact CB-CG 4.11Å; R26-Y43 HydrophobicContact CG-CD2 3.97Å; R26-Y43 HydrophobicContact CG-CE2 4.07Å; R26-Y43 HydrophobicContact CG-CG 4.25Å; R26-Y45 HydrophobicContact CB-CD2 4.45Å; R26-Y45 HydrophobicContact CG-CD2 3.48Å; R26-Y45 VanDerWaalsContact CG-CD2 3.48Å; R26-Y45 HydrophobicContact CG-CE2 3.87Å; R26-Y91 HydrophobicContact CB-CD1 4.43Å; R26-Y91 HydrophobicContact CG-CD1 4.44Å; R26-Y91 PolarHBondContact N-O 3.39Å; R26-Y91 PolarHBondContact O-N 2.8Å
27W94.5Very high91.3Very high7 Ų751.4 Ų51.43%0.02732%0.316CS..EExtended strand (participates in β ladder)trans-102.3100.9176.3-54.7105.3000108.2V15 I18 I20 Y25 Y43 I44 F71 R90V15-W27 HydrophobicContact CB-CH2 4.49Å; V15-W27 HydrophobicContact CB-CZ3 4.4Å; V15-W27 HydrophobicContact CG1-CH2 3.61Å; V15-W27 HydrophobicContact CG1-CZ3 3.8Å; V15-W27 HydrophobicContact CG2-CE3 3.95Å; V15-W27 HydrophobicContact CG2-CH2 4.13Å; V15-W27 HydrophobicContact CG2-CZ3 3.65Å; I18-W27 HydrophobicContact CD1-CH2 3.61Å; I18-W27 HydrophobicContact CD1-CZ2 4.19Å; I18-W27 HydrophobicContact CG1-CH2 4.13Å; I20-W27 HydrophobicContact CB-CZ2 4.22Å; I20-W27 HydrophobicContact CG2-CD2 4.25Å; I20-W27 HydrophobicContact CG2-CH2 4.42Å; I20-W27 HydrophobicContact CG2-CZ2 4.05Å; I20-W27 PolarHBondContact O-NE1 2.82Å; Y25-W27 HydrophobicContact CD2-CZ2 4.04Å; Y25-W27 HydrophobicContact CG-CZ2 4.13Å; W27-Y43 CarbonylContact O-C 3.56Å; W27-Y43 WeakPolarHBondContact O-CA 3.37Å; W27-Y43 WeakPolarHBondContact O-CB 3.5Å; W27-I44 HydrophobicContact CB-CG2 3.89Å; W27-I44 PolarHBondContact N-O 2.64Å; W27-I44 PolarHBondContact O-N 3.36Å; W27-F71 HydrophobicContact CB-CD1 4.11Å; W27-F71 HydrophobicContact CB-CD2 4.08Å; W27-F71 HydrophobicContact CB-CE1 3.88Å; W27-F71 HydrophobicContact CB-CE2 3.86Å; W27-F71 HydrophobicContact CB-CG 4.17Å; W27-F71 HydrophobicContact CB-CZ 3.71Å; W27-F71 HydrophobicContact CD2-CE1 4.35Å; W27-F71 AromaticContact CE3-CE1 3.99Å; W27-F71 HydrophobicContact CE3-CE1 3.99Å; W27-F71 HydrophobicContact CE3-CZ 4.4Å; W27-F71 HydrophobicContact CG-CD1 4.48Å; W27-F71 HydrophobicContact CG-CE1 4.33Å; W27-R90 HydrophobicContact CE3-CB 3.96Å; W27-R90 HydrophobicContact CE3-CG 3.86Å; W27-R90 HydrophobicContact CH2-CB 4.43Å; W27-R90 VanDerWaalsContact CH2-CD 3.4Å; W27-R90 HydrophobicContact CH2-CG 3.72Å; W27-R90 HydrophobicContact CZ2-CG 4.39Å; W27-R90 HydrophobicContact CZ3-CB 3.65Å; W27-R90 VanDerWaalsContact CZ3-CD 3.48Å; W27-R90 HydrophobicContact CZ3-CG 3.4Å
28S94.9Very high91.6Very high10 Ų1051.7 Ų51.77%0.0730%0.297CS..EExtended strand (participates in β ladder)trans-99.8147.1-168.7-65.30000111.8G42 Y43 C88 A89S28-G42 WeakPolarHBondContact CA-O 3.06Å; S28-Y43 WeakPolarHBondContact OG-CB 3.29Å; S28-C88 CarbonylContact O-C 3.55Å; S28-C88 VanDerWaalsContact O-CA 3.29Å; S28-C88 WeakPolarHBondContact O-CA 3.26Å; S28-A89 PolarHBondContact N-O 3.02Å; S28-A89 PolarHBondContact O-N 3.38Å
29W95.9Very high91.8Very high4 Ų451.4 Ų51.42%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-106.8132.5164.6-74.3104.7000110L11 C13 I41 G42 F71 F72 L73 Y87 C88L11-W29 HydrophobicContact CB-CH2 3.7Å; L11-W29 HydrophobicContact CB-CZ2 4.38Å; L11-W29 HydrophobicContact CB-CZ3 3.98Å; L11-W29 HydrophobicContact CD1-CZ3 4.2Å; C13-W29 HydrophobicContact CB-CH2 3.81Å; C13-W29 HydrophobicContact CB-CZ2 3.83Å; W29-I41 HydrophobicContact CB-CB 4.14Å; W29-I41 HydrophobicContact CB-CD1 4.37Å; W29-I41 WeakPolarHBondContact O-CB 3.48Å; W29-I41 PolarHBondContact O-N 2.85Å; W29-G42 PolarHBondContact N-O 2.91Å; W29-F71 AromaticContact CD1-CE2 3.95Å; W29-F71 HydrophobicContact CD2-CE2 4.33Å; W29-F71 AromaticContact CE2-CD2 3.81Å; W29-F71 AromaticContact CE2-CE2 3.71Å; W29-F71 HydrophobicContact CG-CE2 4.47Å; W29-F71 HydrophobicContact CZ2-CD2 4.16Å; W29-F71 HydrophobicContact CZ2-CE2 4.15Å; W29-F71 AromaticContact NE1-CD2 3.28Å; W29-F71 VanDerWaalsContact NE1-CD2 3.28Å; W29-F71 AromaticContact NE1-CE2 3.46Å; W29-F72 PolarHBondContact NE1-O 3.06Å; W29-L73 HydrophobicContact CB-CD1 4.41Å; W29-L73 HydrophobicContact CB-CD2 4.17Å; W29-L73 HydrophobicContact CD2-CB 3.65Å; W29-L73 HydrophobicContact CD2-CD2 4.05Å; W29-L73 HydrophobicContact CD2-CG 4.38Å; W29-L73 VanDerWaalsContact CE2-CB 3.47Å; W29-L73 HydrophobicContact CE3-CB 4.23Å; W29-L73 HydrophobicContact CE3-CD2 4.15Å; W29-L73 HydrophobicContact CG-CB 3.89Å; W29-L73 HydrophobicContact CG-CD1 4.23Å; W29-L73 HydrophobicContact CG-CD2 4.08Å; W29-L73 HydrophobicContact CG-CG 4.31Å; W29-L73 HydrophobicContact CH2-CB 4.45Å; W29-L73 HydrophobicContact CZ2-CB 3.91Å; W29-Y87 WeakPolarHBondContact CA-O 3.26Å; W29-C88 HydrophobicContact CE3-CB 4.2Å; W29-C88 HydrophobicContact CH2-CB 4.26Å; W29-C88 HydrophobicContact CZ3-CB 4.07Å
30I94.9Very high92Very high13 Ų1353.4 Ų53.47%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-136.3138.8-177.7-58.3169.4000107.3L38 E39 Y86 Y87 A89 M97 W100I30-L38 HydrophobicContact CG2-CB 4.29Å; I30-L38 HydrophobicContact CG2-CD2 3.96Å; I30-E39 WeakPolarHBondContact CA-O 3.46Å; I30-Y86 CarbonylContact O-C 3.44Å; I30-Y86 WeakPolarHBondContact O-CA 3.19Å; I30-Y87 PolarHBondContact N-O 2.87Å; I30-Y87 PolarHBondContact O-N 2.83Å; I30-A89 HydrophobicContact CD1-CB 4.06Å; I30-M97 HydrophobicContact CD1-CE 3.4Å; I30-M97 VanDerWaalsContact CD1-CE 3.4Å; I30-W100 HydrophobicContact CB-CH2 4.19Å; I30-W100 HydrophobicContact CB-CZ3 4.06Å; I30-W100 HydrophobicContact CD1-CH2 3.37Å; I30-W100 HydrophobicContact CD1-CZ2 3.84Å; I30-W100 HydrophobicContact CD1-CZ3 3.87Å; I30-W100 HydrophobicContact CG1-CH2 4.36Å; I30-W100 HydrophobicContact CG2-CH2 3.93Å; I30-W100 HydrophobicContact CG2-CZ3 4.06Å
31R94.2Very high92.1Very high11 Ų1153.3 Ų53.34%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-113.4142.7170.561-176.6179.5170.47.1111.2F33 L38 E39 I41 D82 A84 T85 Y86R31-F33 HydrophobicContact CG-CE2 4.23Å; R31-F33 HydrophobicContact CG-CZ 4.26Å; R31-L38 CarbonylContact O-C 3.53Å; R31-L38 WeakPolarHBondContact O-CA 3.38Å; R31-E39 HydrophobicContact CG-CB 4.09Å; R31-E39 IonicContact CZ-OE2 2.73Å; R31-E39 PolarHBondContact N-O 2.8Å; R31-E39 IonicContact NE-OE2 3.72Å; R31-E39 PolarHBondContact NE-OE2 3.46Å; R31-E39 IonicContact NH2-OE2 2.93Å; R31-E39 PolarHBondContact NH2-OE2 3.37Å; R31-E39 PolarHBondContact O-N 3.16Å; R31-I41 HydrophobicContact CB-CD1 4.04Å; R31-I41 HydrophobicContact CG-CD1 4.02Å; R31-I41 HydrophobicContact CG-CG1 4.14Å; R31-D82 IonicContact CZ-OD1 2.75Å; R31-D82 IonicContact NH1-OD1 3.83Å; R31-D82 PolarHBondContact NH1-OD1 3.11Å; R31-D82 IonicContact NH2-OD1 3.04Å; R31-A84 HydrophobicContact CB-CB 3.89Å; R31-A84 HydrophobicContact CG-CB 4.46Å; R31-T85 CarbonylContact C-O 3.58Å; R31-T85 WeakPolarHBondContact CA-O 3.02Å; R31-Y86 HydrophobicContact CB-CD1 3.95Å; R31-Y86 HydrophobicContact CB-CD2 4.36Å; R31-Y86 HydrophobicContact CB-CE1 3.93Å; R31-Y86 HydrophobicContact CB-CE2 4.29Å; R31-Y86 HydrophobicContact CB-CG 4.18Å; R31-Y86 PolarHBondContact NH1-OH 3.18Å
32Q94.9Very high92.2Very high45 Ų4550.6 Ų50.621%0.2128%0.279CS..EExtended strand (participates in β ladder)trans-113.6116.8177-169.3-177.827.500109.1N36 K37 L38 A84 T85 Y87Q32-N36 PolarHBondContact NE2-OD1 2.73Å; Q32-N36 VanDerWaalsContact NE2-OD1 3.17Å; Q32-K37 WeakPolarHBondContact CA-O 3.45Å; Q32-L38 HydrophobicContact CB-CD2 3.62Å; Q32-L38 HydrophobicContact CG-CD2 3.7Å; Q32-A84 WeakPolarHBondContact O-CA 3.34Å; Q32-A84 WeakPolarHBondContact O-CB 3.43Å; Q32-T85 PolarHBondContact N-O 2.8Å; Q32-T85 PolarHBondContact O-N 2.8Å; Q32-Y87 HydrophobicContact CB-CD2 4.23Å; Q32-Y87 HydrophobicContact CB-CE2 3.61Å; Q32-Y87 VanDerWaalsContact OE1-CE2 3.29Å; Q32-Y87 PolarHBondContact OE1-OH 3.12Å
33F93.7Very high92.6Very high40 Ų4048.4 Ų48.418%0.17526%0.262CS..  trans-78.2160.1174.4-65.7-74.5000111.4R31 G35 N36 K37 E39 K81 A84R31-F33 HydrophobicContact CG-CE2 4.23Å; R31-F33 HydrophobicContact CG-CZ 4.26Å; F33-G35 PolarHBondContact O-N 3.08Å; F33-N36 PolarHBondContact O-N 3.13Å; F33-N36 VanDerWaalsContact O-N 3.11Å; F33-K37 HydrophobicContact CB-CB 4.37Å; F33-K37 HydrophobicContact CD2-CG 4.49Å; F33-K37 PolarHBondContact N-O 2.95Å; F33-E39 HydrophobicContact CE2-CB 3.9Å; F33-K81 VanDerWaalsContact CE1-O 3.23Å; F33-K81 WeakPolarHBondContact CE1-O 3.43Å; F33-A84 HydrophobicContact CD1-CB 3.97Å; F33-A84 HydrophobicContact CE1-CB 4.1Å
34P90.4Very high93.3Very high114 Ų11447.2 Ų47.274%0.7425%0.249SC*.THydrogen-bonded Turntrans-48.3135163.3-25.434.8000110.8
35G91.1Very high93.6Very high74 Ų7446.5 Ų46.576%0.76324%0.242SC*.THydrogen-bonded Turntrans86.416.5-172.600000114.9F33 K37F33-G35 PolarHBondContact O-N 3.08Å; G35-K37 PolarHBondContact O-N 2.87Å
36N86.8Confident93.7Very high126 Ų12649 Ų4967%0.67425%0.251SS*.SBendtrans64.615.6172.5-60.5-45.2000116Q32 F33 L38Q32-N36 PolarHBondContact NE2-OD1 2.73Å; Q32-N36 VanDerWaalsContact NE2-OD1 3.17Å; F33-N36 PolarHBondContact O-N 3.13Å; F33-N36 VanDerWaalsContact O-N 3.11Å; N36-L38 PolarHBondContact O-N 3.36Å
37K92.8Very high93.8Very high143 Ų14349.3 Ų49.362%0.62226%0.262SS*.  trans-72.9120.6173.2-177.7-178.6177-176.20109.8Q32 F33 G35Q32-K37 WeakPolarHBondContact CA-O 3.45Å; F33-K37 HydrophobicContact CB-CB 4.37Å; F33-K37 HydrophobicContact CD2-CG 4.49Å; F33-K37 PolarHBondContact N-O 2.95Å; G35-K37 PolarHBondContact O-N 2.87Å
38L93Very high93.8Very high93 Ų9350.2 Ų50.249%0.48727%0.274SS..EExtended strand (participates in β ladder)trans-93141.1175.3-65.5169.9000111I30 R31 Q32 N36 W100I30-L38 HydrophobicContact CG2-CB 4.29Å; I30-L38 HydrophobicContact CG2-CD2 3.96Å; R31-L38 CarbonylContact O-C 3.53Å; R31-L38 WeakPolarHBondContact O-CA 3.38Å; Q32-L38 HydrophobicContact CB-CD2 3.62Å; Q32-L38 HydrophobicContact CG-CD2 3.7Å; N36-L38 PolarHBondContact O-N 3.36Å; L38-W100 HydrophobicContact CD1-CH2 4.24Å; L38-W100 HydrophobicContact CD2-CH2 4.31Å; L38-W100 HydrophobicContact CD2-CZ3 4.5Å
39E94.5Very high93.8Very high46 Ų4653.8 Ų53.822%0.21530%0.295CS..EExtended strand (participates in β ladder)trans-133.1122.5170.3-175.5175.8-127.100109.7I30 R31 F33I30-E39 WeakPolarHBondContact CA-O 3.46Å; R31-E39 HydrophobicContact CG-CB 4.09Å; R31-E39 IonicContact CZ-OE2 2.73Å; R31-E39 PolarHBondContact N-O 2.8Å; R31-E39 IonicContact NE-OE2 3.72Å; R31-E39 PolarHBondContact NE-OE2 3.46Å; R31-E39 IonicContact NH2-OE2 2.93Å; R31-E39 PolarHBondContact NH2-OE2 3.37Å; R31-E39 PolarHBondContact O-N 3.16Å; F33-E39 HydrophobicContact CE2-CB 3.9Å
40W94.6Very high93.8Very high81 Ų8156.4 Ų56.431%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-75.1133.6173.417576.6000110.2G42 Y43 T51 N53W40-G42 VanDerWaalsContact CE2-C 3.47Å; W40-G42 VanDerWaalsContact CE2-CA 3.45Å; W40-G42 PolarHBondContact NE1-O 2.7Å; W40-G42 VanDerWaalsContact NE1-O 3.15Å; W40-Y43 HydrophobicContact CH2-CD1 4.32Å; W40-Y43 AromaticContact CZ2-CD1 3.39Å; W40-Y43 HydrophobicContact CZ2-CD1 3.39Å; W40-Y43 HydrophobicContact CZ2-CE1 4.01Å; W40-Y43 HydrophobicContact CZ2-CG 4.18Å; W40-T51 HydrophobicContact CH2-CG2 4.03Å; W40-N53 HydrophobicContact CE3-CB 3.88Å; W40-N53 HydrophobicContact CZ3-CB 3.93Å; W40-N53 VanDerWaalsContact O-CB 3.31Å; W40-N53 WeakPolarHBondContact O-CB 3.08Å; W40-N53 PolarHBondContact O-ND2 2.85Å
41I95.3Very high93.8Very high0 Ų058.3 Ų58.30%032%0.321CS..EExtended strand (participates in β ladder)trans-98.6-45.2-176-61173.4000111.1W29 R31 N53 L56 T60 L73 M75 Y86W29-I41 HydrophobicContact CB-CB 4.14Å; W29-I41 HydrophobicContact CB-CD1 4.37Å; W29-I41 WeakPolarHBondContact O-CB 3.48Å; W29-I41 PolarHBondContact O-N 2.85Å; R31-I41 HydrophobicContact CB-CD1 4.04Å; R31-I41 HydrophobicContact CG-CD1 4.02Å; R31-I41 HydrophobicContact CG-CG1 4.14Å; I41-N53 WeakPolarHBondContact O-CB 3.31Å; I41-N53 PolarHBondContact O-N 2.82Å; I41-L56 HydrophobicContact CB-CD1 4.28Å; I41-L56 HydrophobicContact CG1-CD1 4.02Å; I41-L56 HydrophobicContact CG2-CD1 4.21Å; I41-T60 HydrophobicContact CG2-CG2 3.69Å; I41-L73 HydrophobicContact CD1-CD2 3.84Å; I41-L73 HydrophobicContact CG2-CD1 3.92Å; I41-M75 HydrophobicContact CD1-SD 4.39Å; I41-Y86 HydrophobicContact CD1-CD1 3.61Å; I41-Y86 HydrophobicContact CD1-CE1 3.46Å; I41-Y86 VanDerWaalsContact CD1-CE1 3.46Å
42G95.6Very high93.9Very high0 Ų060.6 Ų60.60%033%0.33CS..EExtended strand (participates in β ladder)trans171.9170.1-173.200000111.3S28 W29 W40 T51S28-G42 WeakPolarHBondContact CA-O 3.06Å; W29-G42 PolarHBondContact N-O 2.91Å; W40-G42 VanDerWaalsContact CE2-C 3.47Å; W40-G42 VanDerWaalsContact CE2-CA 3.45Å; W40-G42 PolarHBondContact NE1-O 2.7Å; W40-G42 VanDerWaalsContact NE1-O 3.15Å; G42-T51 CarbonylContact C-O 3.56Å; G42-T51 WeakPolarHBondContact CA-O 3.46Å
43Y95.4Very high93.9Very high40 Ų4059.8 Ų59.816%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-140.5157.1168.870.4-110.8000111.4R26 W27 S28 W40 I50 T51R26-Y43 HydrophobicContact CB-CD2 4.15Å; R26-Y43 HydrophobicContact CB-CG 4.11Å; R26-Y43 HydrophobicContact CG-CD2 3.97Å; R26-Y43 HydrophobicContact CG-CE2 4.07Å; R26-Y43 HydrophobicContact CG-CG 4.25Å; W27-Y43 CarbonylContact O-C 3.56Å; W27-Y43 WeakPolarHBondContact O-CA 3.37Å; W27-Y43 WeakPolarHBondContact O-CB 3.5Å; S28-Y43 WeakPolarHBondContact OG-CB 3.29Å; W40-Y43 HydrophobicContact CH2-CD1 4.32Å; W40-Y43 AromaticContact CZ2-CD1 3.39Å; W40-Y43 HydrophobicContact CZ2-CD1 3.39Å; W40-Y43 HydrophobicContact CZ2-CE1 4.01Å; W40-Y43 HydrophobicContact CZ2-CG 4.18Å; Y43-I50 WeakPolarHBondContact O-CA 3.45Å; Y43-T51 HydrophobicContact CE1-CG2 4.36Å; Y43-T51 VanDerWaalsContact CZ-OG1 3.32Å; Y43-T51 PolarHBondContact N-O 2.96Å; Y43-T51 PolarHBondContact O-N 3.19Å; Y43-T51 PolarHBondContact OH-OG1 2.64Å; Y43-T51 VanDerWaalsContact OH-OG1 3.11Å
44I96.1Very high93.8Very high5 Ų563.3 Ų63.33%0.02636%0.355CS..EExtended strand (participates in β ladder)trans-111.2126.8162-172.9162.1000109.5W27 I50 I62 R64 F71W27-I44 HydrophobicContact CB-CG2 3.89Å; W27-I44 PolarHBondContact N-O 2.64Å; W27-I44 PolarHBondContact O-N 3.36Å; I44-I50 HydrophobicContact CB-CG1 4.13Å; I44-I50 HydrophobicContact CD1-CD1 4.24Å; I44-I50 HydrophobicContact CD1-CG1 3.88Å; I44-I50 HydrophobicContact CG1-CG1 3.85Å; I44-I62 HydrophobicContact CB-CG2 3.91Å; I44-I62 HydrophobicContact CG2-CG2 4.04Å; I44-R64 HydrophobicContact CD1-CB 4.06Å; I44-R64 HydrophobicContact CD1-CG 3.73Å; I44-F71 HydrophobicContact CG2-CB 4.23Å; I44-F71 HydrophobicContact CG2-CD2 4.44Å
45Y94.9Very high93.8Very high43 Ų4362.5 Ų62.517%0.16935%0.351CS..EExtended strand (participates in β ladder)trans-80159178.4-161.3-135.4000110.4N24 Y25 R26 S47 G48 T49 R64N24-Y45 VanDerWaalsContact CB-OH 3.27Å; N24-Y45 WeakPolarHBondContact CB-OH 3.49Å; N24-Y45 PolarHBondContact OD1-OH 2.93Å; Y25-Y45 WeakPolarHBondContact O-CD2 3.3Å; R26-Y45 HydrophobicContact CB-CD2 4.45Å; R26-Y45 HydrophobicContact CG-CD2 3.48Å; R26-Y45 VanDerWaalsContact CG-CD2 3.48Å; R26-Y45 HydrophobicContact CG-CE2 3.87Å; Y45-S47 WeakPolarHBondContact CD1-OG 2.95Å; Y45-S47 PolarHBondContact O-N 3.03Å; Y45-S47 VanDerWaalsContact O-N 3.12Å; Y45-G48 WeakPolarHBondContact O-CA 3.47Å; Y45-G48 PolarHBondContact O-N 2.73Å; Y45-T49 WeakPolarHBondContact CB-O 3.37Å; Y45-T49 PolarHBondContact N-O 3.04Å; Y45-R64 PolarHBondContact O-NH1 2.85Å
46Y92.8Very high93.7Very high78 Ų7859.1 Ų59.131%0.30632%0.316SS..THydrogen-bonded Turntrans-55.3-32.5178.784.6-86.9000112.8T21 G23 N24 Y25 G48 R64T21-Y46 WeakPolarHBondContact O-CD2 3.21Å; G23-Y46 WeakPolarHBondContact O-CB 3.29Å; G23-Y46 WeakPolarHBondContact O-CD1 3.46Å; N24-Y46 WeakPolarHBondContact OD1-CE1 3.32Å; Y25-Y46 PolarHBondContact O-N 3.36Å; Y46-G48 PolarHBondContact O-N 2.99Å; Y46-R64 PolarHBondContact O-NH1 2.75Å; Y46-R64 PolarHBondContact O-NH2 2.86Å
47S93.8Very high93.9Very high62 Ų6256.3 Ų56.343%0.43430%0.303SS..THydrogen-bonded Turntrans-69.5-16.517564.80000113.5Y45 T49 R64Y45-S47 WeakPolarHBondContact CD1-OG 2.95Å; Y45-S47 PolarHBondContact O-N 3.03Å; Y45-S47 VanDerWaalsContact O-N 3.12Å; S47-T49 PolarHBondContact OG-N 2.04Å; S47-T49 PolarHBondContact OG-OG1 2.81Å; S47-R64 VanDerWaalsContact C-NH2 3.3Å; S47-R64 PolarHBondContact O-NH2 2.85Å
48G94.1Very high93.8Very high27 Ų2755.3 Ų55.328%0.27831%0.314SS..SBendtrans98.8-2.6-174.800000113.7Y45 Y46 I50Y45-G48 WeakPolarHBondContact O-CA 3.47Å; Y45-G48 PolarHBondContact O-N 2.73Å; Y46-G48 PolarHBondContact O-N 2.99Å; G48-I50 PolarHBondContact O-N 2.99Å
49T95Very high93.7Very high84 Ų8453.1 Ų53.152%0.51530%0.3SS..  trans-64.2127.6173.7-53.60000110.2Y45 S47Y45-T49 WeakPolarHBondContact CB-O 3.37Å; Y45-T49 PolarHBondContact N-O 3.04Å; S47-T49 PolarHBondContact OG-N 2.04Å; S47-T49 PolarHBondContact OG-OG1 2.81Å
50I96.2Very high93.7Very high60 Ų6051.2 Ų51.231%0.30829%0.291SS..EExtended strand (participates in β ladder)trans-105.7142.7179.7-59.6159.1000109.4Y43 I44 G48 Y52 I62Y43-I50 WeakPolarHBondContact O-CA 3.45Å; I44-I50 HydrophobicContact CB-CG1 4.13Å; I44-I50 HydrophobicContact CD1-CD1 4.24Å; I44-I50 HydrophobicContact CD1-CG1 3.88Å; I44-I50 HydrophobicContact CG1-CG1 3.85Å; G48-I50 PolarHBondContact O-N 2.99Å; I50-Y52 HydrophobicContact CB-CE2 4.37Å; I50-Y52 HydrophobicContact CG2-CD1 4.39Å; I50-Y52 HydrophobicContact CG2-CD2 4.06Å; I50-Y52 HydrophobicContact CG2-CE1 3.86Å; I50-Y52 HydrophobicContact CG2-CE2 3.48Å; I50-Y52 VanDerWaalsContact CG2-CE2 3.48Å; I50-Y52 HydrophobicContact CG2-CG 4.49Å; I50-I62 VanDerWaalsContact CD1-O 3.26Å; I50-I62 WeakPolarHBondContact CD1-O 3.35Å; I50-I62 HydrophobicContact CG2-CB 4.2Å
51T95.8Very high93.7Very high52 Ų5250.2 Ų50.232%0.31929%0.294SS..EExtended strand (participates in β ladder)trans-133.9133.6171.6-52.80000108.7W40 G42 Y43W40-T51 HydrophobicContact CH2-CG2 4.03Å; G42-T51 CarbonylContact C-O 3.56Å; G42-T51 WeakPolarHBondContact CA-O 3.46Å; Y43-T51 HydrophobicContact CE1-CG2 4.36Å; Y43-T51 VanDerWaalsContact CZ-OG1 3.32Å; Y43-T51 PolarHBondContact N-O 2.96Å; Y43-T51 PolarHBondContact O-N 3.19Å; Y43-T51 PolarHBondContact OH-OG1 2.64Å; Y43-T51 VanDerWaalsContact OH-OG1 3.11Å
52Y95.6Very high93.8Very high60 Ų6050.3 Ų50.324%0.23529%0.294CS..EExtended strand (participates in β ladder)trans-110.9155.5-177.7-62.5-79.2000111I50 P54 T57 T60 I62I50-Y52 HydrophobicContact CB-CE2 4.37Å; I50-Y52 HydrophobicContact CG2-CD1 4.39Å; I50-Y52 HydrophobicContact CG2-CD2 4.06Å; I50-Y52 HydrophobicContact CG2-CE1 3.86Å; I50-Y52 HydrophobicContact CG2-CE2 3.48Å; I50-Y52 VanDerWaalsContact CG2-CE2 3.48Å; I50-Y52 HydrophobicContact CG2-CG 4.49Å; Y52-P54 WeakPolarHBondContact O-CD 3.2Å; Y52-T57 WeakPolarHBondContact CB-OG1 3.37Å; Y52-T57 HydrophobicContact CD2-CG2 4.15Å; Y52-T57 HydrophobicContact CG-CG2 4.29Å; Y52-T60 HydrophobicContact CD1-CG2 4.22Å; Y52-T60 HydrophobicContact CE1-CG2 4.17Å; Y52-I62 HydrophobicContact CD1-CD1 4.21Å; Y52-I62 HydrophobicContact CE1-CB 4.22Å; Y52-I62 HydrophobicContact CE1-CD1 3.99Å; Y52-I62 HydrophobicContact CE1-CG1 3.94Å; Y52-I62 PolarHBondContact OH-N 3.13Å
53N94.2Very high93.8Very high27 Ų2753.6 Ų53.614%0.14432%0.315CS..  trans-68.1122160.1-177.9-28.5000108.6W40 I41 S55 L56 T57W40-N53 HydrophobicContact CE3-CB 3.88Å; W40-N53 HydrophobicContact CZ3-CB 3.93Å; W40-N53 VanDerWaalsContact O-CB 3.31Å; W40-N53 WeakPolarHBondContact O-CB 3.08Å; W40-N53 PolarHBondContact O-ND2 2.85Å; I41-N53 WeakPolarHBondContact O-CB 3.31Å; I41-N53 PolarHBondContact O-N 2.82Å; N53-S55 PolarHBondContact O-N 2.86Å; N53-S55 WeakPolarHBondContact OD1-CB 3.34Å; N53-S55 PolarHBondContact OD1-N 2.86Å; N53-L56 HydrophobicContact CB-CB 4.43Å; N53-L56 HydrophobicContact CB-CD1 4.32Å; N53-L56 HydrophobicContact CB-CG 4.49Å; N53-L56 PolarHBondContact O-N 2.88Å; N53-T57 PolarHBondContact O-N 3.28Å; N53-T57 VanDerWaalsContact O-N 3.13Å; N53-T57 PolarHBondContact O-OG1 2.97Å; N53-T57 VanDerWaalsContact O-OG1 3.06Å
54P92.8Very high93.8Very high115 Ų11554.9 Ų54.975%0.74732%0.319SS*.THydrogen-bonded Turntrans-52-32.3-178-28.335.3000114.3Y52 L56Y52-P54 WeakPolarHBondContact O-CD 3.2Å; P54-L56 PolarHBondContact O-N 3.15Å
55S89.8Confident93.8Very high96 Ų9656.6 Ų56.667%0.67133%0.328SS*.THydrogen-bonded Turntrans-71.5-14178.8-57.80000113.9N53N53-S55 PolarHBondContact O-N 2.86Å; N53-S55 WeakPolarHBondContact OD1-CB 3.34Å; N53-S55 PolarHBondContact OD1-N 2.86Å
56L89.5Confident93.8Very high4 Ų458.2 Ų58.22%0.02134%0.343CS..THydrogen-bonded Turntrans-121.9-9.1-173.1-60.9175.8000113.6I41 N53 P54 S58 R59 T60I41-L56 HydrophobicContact CB-CD1 4.28Å; I41-L56 HydrophobicContact CG1-CD1 4.02Å; I41-L56 HydrophobicContact CG2-CD1 4.21Å; N53-L56 HydrophobicContact CB-CB 4.43Å; N53-L56 HydrophobicContact CB-CD1 4.32Å; N53-L56 HydrophobicContact CB-CG 4.49Å; N53-L56 PolarHBondContact O-N 2.88Å; P54-L56 PolarHBondContact O-N 3.15Å; L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 2.96Å; L56-R59 WeakPolarHBondContact O-CG 3.07Å; L56-R59 PolarHBondContact O-N 2.74Å; L56-T60 VanDerWaalsContact O-CB 3.29Å; L56-T60 WeakPolarHBondContact O-CB 3.41Å; L56-T60 PolarHBondContact O-N 3.36Å; L56-T60 PolarHBondContact O-OG1 3.04Å
57T89.6Confident93.9Very high66 Ų6659.4 Ų59.441%0.40536%0.362SS..G310 helixtrans-55-37-174.6-53.50000113.9Y52 N53 R59Y52-T57 WeakPolarHBondContact CB-OG1 3.37Å; Y52-T57 HydrophobicContact CD2-CG2 4.15Å; Y52-T57 HydrophobicContact CG-CG2 4.29Å; N53-T57 PolarHBondContact O-N 3.28Å; N53-T57 VanDerWaalsContact O-N 3.13Å; N53-T57 PolarHBondContact O-OG1 2.97Å; N53-T57 VanDerWaalsContact O-OG1 3.06Å; T57-R59 PolarHBondContact O-N 3.01Å; T57-R59 VanDerWaalsContact O-N 3.16Å
58S90.6Very high94Very high122 Ų12262.5 Ų62.585%0.85337%0.368SS*.G310 helixtrans-67.9-17-17458.70000114.6L56L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 2.96Å
59R91.6Very high94.1Very high48 Ų4862.6 Ų62.618%0.18136%0.362CS..G310 helixtrans-131.34.9-171.764-178.1-174.1134.7-3.6113.7L56 T57 M75 N76 D82L56-R59 WeakPolarHBondContact O-CG 3.07Å; L56-R59 PolarHBondContact O-N 2.74Å; T57-R59 PolarHBondContact O-N 3.01Å; T57-R59 VanDerWaalsContact O-N 3.16Å; R59-M75 WeakPolarHBondContact O-CA 3.41Å; R59-N76 PolarHBondContact O-N 3.06Å; R59-D82 IonicContact CZ-OD1 3.75Å; R59-D82 VanDerWaalsContact CZ-OD1 3.22Å; R59-D82 IonicContact CZ-OD2 2.7Å; R59-D82 IonicContact NH1-OD1 3.73Å; R59-D82 PolarHBondContact NH1-OD1 2.95Å; R59-D82 IonicContact NH1-OD2 3.93Å; R59-D82 PolarHBondContact NH1-OD2 2.74Å; R59-D82 IonicContact NH2-OD1 3.88Å; R59-D82 PolarHBondContact NH2-OD1 2.77Å; R59-D82 IonicContact NH2-OD2 3.07Å
60T93.6Very high94.2Very high6 Ų660.5 Ų60.54%0.03735%0.346CS..EExtended strand (participates in β ladder)trans-118133.3-174-54.70000110I41 Y52 L56 I62 L73 E74 M75I41-T60 HydrophobicContact CG2-CG2 3.69Å; Y52-T60 HydrophobicContact CD1-CG2 4.22Å; Y52-T60 HydrophobicContact CE1-CG2 4.17Å; L56-T60 VanDerWaalsContact O-CB 3.29Å; L56-T60 WeakPolarHBondContact O-CB 3.41Å; L56-T60 PolarHBondContact O-N 3.36Å; L56-T60 PolarHBondContact O-OG1 3.04Å; T60-I62 HydrophobicContact CG2-CG1 4.4Å; T60-L73 HydrophobicContact CG2-CD1 3.37Å; T60-E74 CarbonylContact C-O 3.51Å; T60-E74 WeakPolarHBondContact CA-O 3.33Å; T60-M75 HydrophobicContact CG2-CG 4.34Å
61T95.8Very high94.1Very high60 Ų6057.7 Ų57.737%0.36833%0.332SS..EExtended strand (participates in β ladder)trans-126.1129.3171.5-63.80000109.1T63 E74T61-T63 HydrophobicContact CG2-CG2 3.91Å; T61-E74 PolarHBondContact N-O 2.91Å; T61-E74 PolarHBondContact O-N 2.8Å
62I96.6Very high94.2Very high2 Ų257 Ų571%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-113.4130174.2-65.1170.1000108.2I44 I50 Y52 T60 F72 L73I44-I62 HydrophobicContact CB-CG2 3.91Å; I44-I62 HydrophobicContact CG2-CG2 4.04Å; I50-I62 VanDerWaalsContact CD1-O 3.26Å; I50-I62 WeakPolarHBondContact CD1-O 3.35Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; Y52-I62 HydrophobicContact CD1-CD1 4.21Å; Y52-I62 HydrophobicContact CE1-CB 4.22Å; Y52-I62 HydrophobicContact CE1-CD1 3.99Å; Y52-I62 HydrophobicContact CE1-CG1 3.94Å; Y52-I62 PolarHBondContact OH-N 3.13Å; T60-I62 HydrophobicContact CG2-CG1 4.4Å; I62-F72 WeakPolarHBondContact CA-O 3.48Å; I62-L73 HydrophobicContact CD1-CD1 4.49Å; I62-L73 HydrophobicContact CG1-CD1 3.86Å
63T96.2Very high94.2Very high69 Ų6954.2 Ų54.242%0.42331%0.314SS..EExtended strand (participates in β ladder)trans-134.3171.917863.50000110.9T61 F71 F72T61-T63 HydrophobicContact CG2-CG2 3.91Å; T63-F71 CarbonylContact O-C 3.58Å; T63-F71 WeakPolarHBondContact O-CA 3.37Å; T63-F71 WeakPolarHBondContact O-CB 3.34Å; T63-F72 PolarHBondContact N-O 2.76Å; T63-F72 PolarHBondContact O-N 3.33Å
64R95.7Very high94.2Very high67 Ų6756.5 Ų56.525%0.25332%0.324SS..EExtended strand (participates in β ladder)trans-144152.517370.1177.4171.7-177.83.7112.9I20 I44 Y45 Y46 S47 T66 Q70 F71I20-R64 HydrophobicContact CD1-CB 3.94Å; I20-R64 HydrophobicContact CD1-CG 4.41Å; I44-R64 HydrophobicContact CD1-CB 4.06Å; I44-R64 HydrophobicContact CD1-CG 3.73Å; Y45-R64 PolarHBondContact O-NH1 2.85Å; Y46-R64 PolarHBondContact O-NH1 2.75Å; Y46-R64 PolarHBondContact O-NH2 2.86Å; S47-R64 VanDerWaalsContact C-NH2 3.3Å; S47-R64 PolarHBondContact O-NH2 2.85Å; R64-T66 HydrophobicContact CG-CG2 4.33Å; R64-Q70 CarbonylContact C-O 3.59Å; R64-Q70 WeakPolarHBondContact CA-O 3.29Å; R64-Q70 WeakPolarHBondContact CB-O 3.27Å; R64-F71 HydrophobicContact CB-CB 4.02Å
65D96Very high94.2Very high41 Ų4151 Ų5122%0.21929%0.288CS..EExtended strand (participates in β ladder)trans-120.1105168.9-176.3-17.7000108S67 K68 N69 Q70 F72D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.19Å; D65-S67 WeakPolarHBondContact OD1-CB 3Å; D65-S67 PolarHBondContact OD1-N 3.27Å; D65-S67 PolarHBondContact OD1-OG 3.26Å; D65-K68 HydrophobicContact CB-CB 4.36Å; D65-K68 PolarHBondContact O-N 3.32Å; D65-K68 PolarHBondContact OD1-N 3.06Å; D65-K68 WeakPolarHBondContact OD2-CD 3.08Å; D65-K68 WeakPolarHBondContact OD2-CE 3.4Å; D65-K68 WeakPolarHBondContact OD2-CG 3.27Å; D65-K68 IonicContact OD2-NZ 3.67Å; D65-N69 PolarHBondContact O-N 2.85Å; D65-Q70 PolarHBondContact N-O 3.01Å; D65-Q70 PolarHBondContact O-N 3.19Å; D65-F72 HydrophobicContact CB-CE2 3.75Å; D65-F72 HydrophobicContact CB-CZ 4.18Å
66T94.5Very high94.3Very high77 Ų7748.8 Ų48.847%0.47227%0.269SS..THydrogen-bonded Turntrans-73.3-22.8-178.157.20000112.5I20 T21 R64 K68I20-T66 HydrophobicContact CD1-CG2 4.24Å; I20-T66 HydrophobicContact CG1-CG2 4.4Å; T21-T66 HydrophobicContact CG2-CG2 3.33Å; R64-T66 HydrophobicContact CG-CG2 4.33Å; T66-K68 VanDerWaalsContact C-N 3.33Å
67S94.9Very high94.1Very high102 Ų10252.2 Ų52.271%0.71329%0.293SS*.THydrogen-bonded Turntrans-71.9-32176.675.30000111.8D65D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.19Å; D65-S67 WeakPolarHBondContact OD1-CB 3Å; D65-S67 PolarHBondContact OD1-N 3.27Å; D65-S67 PolarHBondContact OD1-OG 3.26Å
68K96.3Very high94Very high127 Ų12750.1 Ų50.155%0.55228%0.279SS*.THydrogen-bonded Turntrans-98.7-2.4178.1-62.4-178.5-169.5161.10113.9D65 T66 Q70D65-K68 HydrophobicContact CB-CB 4.36Å; D65-K68 PolarHBondContact O-N 3.32Å; D65-K68 PolarHBondContact OD1-N 3.06Å; D65-K68 WeakPolarHBondContact OD2-CD 3.08Å; D65-K68 WeakPolarHBondContact OD2-CE 3.4Å; D65-K68 WeakPolarHBondContact OD2-CG 3.27Å; D65-K68 IonicContact OD2-NZ 3.67Å; T66-K68 VanDerWaalsContact C-N 3.33Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.28Å; K68-Q70 HydrophobicContact CB-CG 4.14Å; K68-Q70 PolarHBondContact O-N 2.96Å
69N95.6Very high93.7Very high29 Ų2947.6 Ų47.616%0.15526%0.259CS..THydrogen-bonded Turntrans55.542.3-174.8-154.739.4000112.9V15 I18 S19 I20 D65V15-N69 PolarHBondContact N-O 2.8Å; V15-N69 PolarHBondContact O-ND2 3.41Å; I18-N69 PolarHBondContact O-ND2 2.82Å; S19-N69 WeakPolarHBondContact CA-OD1 3.19Å; I20-N69 WeakPolarHBondContact CG2-OD1 3.37Å; I20-N69 PolarHBondContact N-OD1 2.92Å; D65-N69 PolarHBondContact O-N 2.85Å
70Q96.6Very high93.5Very high40 Ų4049.7 Ų49.719%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-123.4149.7-173.7-79170.7-9.900111.7T12 C13 T14 I20 R64 D65 K68 F72T12-Q70 HydrophobicContact CG2-CB 4.39Å; T12-Q70 HydrophobicContact CG2-CG 4.1Å; C13-Q70 VanDerWaalsContact O-CA 3.3Å; C13-Q70 WeakPolarHBondContact O-CA 3.39Å; T14-Q70 HydrophobicContact CG2-CG 4.15Å; T14-Q70 WeakPolarHBondContact OG1-CG 3.23Å; T14-Q70 PolarHBondContact OG1-NE2 2.66Å; I20-Q70 WeakPolarHBondContact CD1-O 3.46Å; R64-Q70 CarbonylContact C-O 3.59Å; R64-Q70 WeakPolarHBondContact CA-O 3.29Å; R64-Q70 WeakPolarHBondContact CB-O 3.27Å; D65-Q70 PolarHBondContact N-O 3.01Å; D65-Q70 PolarHBondContact O-N 3.19Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.28Å; K68-Q70 HydrophobicContact CB-CG 4.14Å; K68-Q70 PolarHBondContact O-N 2.96Å; Q70-F72 HydrophobicContact CB-CE1 4.29Å; Q70-F72 HydrophobicContact CB-CE2 4.02Å; Q70-F72 HydrophobicContact CB-CZ 3.64Å
71F95.9Very high93.1Very high1 Ų157.7 Ų57.70%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-134.6151.4166.867.7-78.4000110.7C13 V15 W27 W29 I44 T63 R64 C88C13-F71 HydrophobicContact CB-CD1 3.98Å; C13-F71 HydrophobicContact CB-CD2 4.46Å; C13-F71 HydrophobicContact CB-CE1 3.6Å; C13-F71 HydrophobicContact CB-CE2 4.11Å; C13-F71 HydrophobicContact CB-CG 4.42Å; C13-F71 HydrophobicContact CB-CZ 3.71Å; C13-F71 PolarHBondContact N-O 3.28Å; C13-F71 PolarHBondContact O-N 2.85Å; C13-F71 WeakPolarHBondContact SG-CE1 3.42Å; V15-F71 HydrophobicContact CG2-CD1 4.08Å; V15-F71 HydrophobicContact CG2-CE1 3.76Å; W27-F71 HydrophobicContact CB-CD1 4.11Å; W27-F71 HydrophobicContact CB-CD2 4.08Å; W27-F71 HydrophobicContact CB-CE1 3.88Å; W27-F71 HydrophobicContact CB-CE2 3.86Å; W27-F71 HydrophobicContact CB-CG 4.17Å; W27-F71 HydrophobicContact CB-CZ 3.71Å; W27-F71 HydrophobicContact CD2-CE1 4.35Å; W27-F71 AromaticContact CE3-CE1 3.99Å; W27-F71 HydrophobicContact CE3-CE1 3.99Å; W27-F71 HydrophobicContact CE3-CZ 4.4Å; W27-F71 HydrophobicContact CG-CD1 4.48Å; W27-F71 HydrophobicContact CG-CE1 4.33Å; W29-F71 AromaticContact CD1-CE2 3.95Å; W29-F71 HydrophobicContact CD2-CE2 4.33Å; W29-F71 AromaticContact CE2-CD2 3.81Å; W29-F71 AromaticContact CE2-CE2 3.71Å; W29-F71 HydrophobicContact CG-CE2 4.47Å; W29-F71 HydrophobicContact CZ2-CD2 4.16Å; W29-F71 HydrophobicContact CZ2-CE2 4.15Å; W29-F71 AromaticContact NE1-CD2 3.28Å; W29-F71 VanDerWaalsContact NE1-CD2 3.28Å; W29-F71 AromaticContact NE1-CE2 3.46Å; I44-F71 HydrophobicContact CG2-CB 4.23Å; I44-F71 HydrophobicContact CG2-CD2 4.44Å; T63-F71 CarbonylContact O-C 3.58Å; T63-F71 WeakPolarHBondContact O-CA 3.37Å; T63-F71 WeakPolarHBondContact O-CB 3.34Å; R64-F71 HydrophobicContact CB-CB 4.02Å; F71-C88 HydrophobicContact CE1-CB 4.4Å; F71-C88 HydrophobicContact CE2-CB 3.96Å; F71-C88 HydrophobicContact CZ-CB 3.52Å
72F96.6Very high92.7Very high39 Ų3955 Ų5517%0.17130%0.304CS..EExtended strand (participates in β ladder)trans-126.8151-164.4-49.6-90.1000110.8L11 T12 W29 I62 T63 D65 Q70L11-F72 CarbonylContact O-C 3.56Å; L11-F72 WeakPolarHBondContact O-CA 3.41Å; T12-F72 HydrophobicContact CG2-CD1 3.86Å; T12-F72 HydrophobicContact CG2-CE1 3.47Å; T12-F72 VanDerWaalsContact CG2-CE1 3.47Å; T12-F72 HydrophobicContact CG2-CZ 4.36Å; T12-F72 VanDerWaalsContact OG1-CD1 3.27Å; T12-F72 WeakPolarHBondContact OG1-CD1 3.41Å; T12-F72 WeakPolarHBondContact OG1-CE1 3.3Å; W29-F72 PolarHBondContact NE1-O 3.06Å; I62-F72 WeakPolarHBondContact CA-O 3.48Å; T63-F72 PolarHBondContact N-O 2.76Å; T63-F72 PolarHBondContact O-N 3.33Å; D65-F72 HydrophobicContact CB-CE2 3.75Å; D65-F72 HydrophobicContact CB-CZ 4.18Å; Q70-F72 HydrophobicContact CB-CE1 4.29Å; Q70-F72 HydrophobicContact CB-CE2 4.02Å; Q70-F72 HydrophobicContact CB-CZ 3.64Å
73L96.4Very high92.4Very high0 Ų057 Ų570%032%0.316CS..EExtended strand (participates in β ladder)trans-123.3120.3169.5177.170.8000108.3S10 L11 W29 I41 T60 I62 M75 Y86S10-L73 CarbonylContact C-O 3.58Å; S10-L73 WeakPolarHBondContact CA-O 3.38Å; L11-L73 HydrophobicContact CB-CB 4.33Å; L11-L73 HydrophobicContact CD1-CD2 4.23Å; L11-L73 PolarHBondContact N-O 3.37Å; L11-L73 PolarHBondContact O-N 2.96Å; W29-L73 HydrophobicContact CB-CD1 4.41Å; W29-L73 HydrophobicContact CB-CD2 4.17Å; W29-L73 HydrophobicContact CD2-CB 3.65Å; W29-L73 HydrophobicContact CD2-CD2 4.05Å; W29-L73 HydrophobicContact CD2-CG 4.38Å; W29-L73 VanDerWaalsContact CE2-CB 3.47Å; W29-L73 HydrophobicContact CE3-CB 4.23Å; W29-L73 HydrophobicContact CE3-CD2 4.15Å; W29-L73 HydrophobicContact CG-CB 3.89Å; W29-L73 HydrophobicContact CG-CD1 4.23Å; W29-L73 HydrophobicContact CG-CD2 4.08Å; W29-L73 HydrophobicContact CG-CG 4.31Å; W29-L73 HydrophobicContact CH2-CB 4.45Å; W29-L73 HydrophobicContact CZ2-CB 3.91Å; I41-L73 HydrophobicContact CD1-CD2 3.84Å; I41-L73 HydrophobicContact CG2-CD1 3.92Å; T60-L73 HydrophobicContact CG2-CD1 3.37Å; I62-L73 HydrophobicContact CD1-CD1 4.49Å; I62-L73 HydrophobicContact CG1-CD1 3.86Å; L73-M75 HydrophobicContact CD1-CG 4.34Å; L73-M75 HydrophobicContact CD2-CG 4.33Å; L73-M75 HydrophobicContact CD2-SD 4.27Å; L73-M75 HydrophobicContact CG-CG 4.21Å; L73-Y86 HydrophobicContact CD2-CD1 3.74Å; L73-Y86 HydrophobicContact CD2-CE1 4Å
74E94.7Very high92.3Very high76 Ų7653.9 Ų53.936%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-106.8129.3166.5-169.3179.79700109.2T8 V9 T60 T61 N76T8-E74 HydrophobicContact CG2-CG 3.51Å; V9-E74 VanDerWaalsContact O-CA 3.31Å; V9-E74 WeakPolarHBondContact O-CA 3.27Å; T60-E74 CarbonylContact C-O 3.51Å; T60-E74 WeakPolarHBondContact CA-O 3.33Å; T61-E74 PolarHBondContact N-O 2.91Å; T61-E74 PolarHBondContact O-N 2.8Å; E74-N76 PolarHBondContact OE1-ND2 2.84Å
75M92Very high92.3Very high0 Ų052.6 Ų52.60%030%0.297CS..EExtended strand (participates in β ladder)trans-123.9123.8172.3-77.3-174.256.400110.3T8 V9 I41 R59 T60 L73 L78 Y86T8-M75 WeakPolarHBondContact CA-O 3.33Å; V9-M75 HydrophobicContact CG1-CB 4.05Å; V9-M75 PolarHBondContact N-O 3.31Å; V9-M75 PolarHBondContact O-N 2.95Å; I41-M75 HydrophobicContact CD1-SD 4.39Å; R59-M75 WeakPolarHBondContact O-CA 3.41Å; T60-M75 HydrophobicContact CG2-CG 4.34Å; L73-M75 HydrophobicContact CD1-CG 4.34Å; L73-M75 HydrophobicContact CD2-CG 4.33Å; L73-M75 HydrophobicContact CD2-SD 4.27Å; L73-M75 HydrophobicContact CG-CG 4.21Å; M75-L78 HydrophobicContact CB-CD2 4.24Å; M75-L78 HydrophobicContact CE-CD2 3.84Å; M75-Y86 HydrophobicContact SD-CE1 3.54Å; M75-Y86 VanDerWaalsContact SD-CE1 3.54Å; M75-Y86 PolarHBondContact SD-OH 3.2Å
76N90.9Very high92.2Very high49 Ų4950.7 Ų50.726%0.26229%0.287SS..  trans-97157.7179.1-68.2-55.9000111.1T8 R59 E74 L78T8-N76 WeakPolarHBondContact CB-OD1 3.45Å; T8-N76 WeakPolarHBondContact CG2-OD1 3.34Å; T8-N76 PolarHBondContact OG1-OD1 3.11Å; R59-N76 PolarHBondContact O-N 3.06Å; E74-N76 PolarHBondContact OE1-ND2 2.84Å; N76-L78 VanDerWaalsContact C-N 3.35Å; N76-L78 PolarHBondContact O-N 2.87Å
77S86.8Confident92.2Very high76 Ų7649.3 Ų49.353%0.53127%0.273SS..SBendtrans54.547.3175.3-55.80000113.2
78L85.9Confident92.2Very high21 Ų2145.2 Ų45.211%0.1125%0.245CC..  trans-61.5143177.3-74.7164.9000111.7Q7 V9 M75 N76 D82 V106Q7-L78 PolarHBondContact O-N 3.34Å; V9-L78 HydrophobicContact CB-CD1 3.65Å; V9-L78 HydrophobicContact CG1-CD1 3.65Å; M75-L78 HydrophobicContact CB-CD2 4.24Å; M75-L78 HydrophobicContact CE-CD2 3.84Å; N76-L78 VanDerWaalsContact C-N 3.35Å; N76-L78 PolarHBondContact O-N 2.87Å; L78-D82 HydrophobicContact CD2-CB 3.44Å; L78-D82 VanDerWaalsContact CD2-CB 3.44Å; L78-V106 HydrophobicContact CD1-CG1 4.32Å
79T86.3Confident92.1Very high70 Ų7039.3 Ų39.343%0.42922%0.219SC..  trans-127.8169.7175.967.10000110K81 D82T79-K81 PolarHBondContact O-N 2.86Å; T79-K81 PolarHBondContact OG1-N 2.97Å; T79-D82 PolarHBondContact N-OD2 3.31Å; T79-D82 VanDerWaalsContact O-CB 3.3Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 3.16Å; T79-D82 PolarHBondContact OG1-OD2 3.38Å
80A85.6Confident91.8Very high91 Ų9140.5 Ų40.575%0.75222%0.222SC*.G310 helixtrans-57.8-18.9173.900000113.8D82 T83A80-D82 PolarHBondContact O-N 3.32Å; A80-T83 PolarHBondContact O-OG1 2.97Å
81K85.6Confident91.4Very high174 Ų17441.6 Ų41.676%0.75723%0.225SC*.G310 helixtrans-74.3-8173.7-64-177.4179.7178.70113.1F33 T79F33-K81 VanDerWaalsContact CE1-O 3.23Å; F33-K81 WeakPolarHBondContact CE1-O 3.43Å; T79-K81 PolarHBondContact O-N 2.86Å; T79-K81 PolarHBondContact OG1-N 2.97Å
82D88.1Confident90.7Very high3 Ų345 Ų452%0.01624%0.238CC..G310 helixtrans-101.3-4.8-179.7-57.3-56.9000113R31 R59 L78 T79 A80 A84 Y86R31-D82 IonicContact CZ-OD1 2.75Å; R31-D82 IonicContact NH1-OD1 3.83Å; R31-D82 PolarHBondContact NH1-OD1 3.11Å; R31-D82 IonicContact NH2-OD1 3.04Å; R59-D82 IonicContact CZ-OD1 3.75Å; R59-D82 VanDerWaalsContact CZ-OD1 3.22Å; R59-D82 IonicContact CZ-OD2 2.7Å; R59-D82 IonicContact NH1-OD1 3.73Å; R59-D82 PolarHBondContact NH1-OD1 2.95Å; R59-D82 IonicContact NH1-OD2 3.93Å; R59-D82 PolarHBondContact NH1-OD2 2.74Å; R59-D82 IonicContact NH2-OD1 3.88Å; R59-D82 PolarHBondContact NH2-OD1 2.77Å; R59-D82 IonicContact NH2-OD2 3.07Å; L78-D82 HydrophobicContact CD2-CB 3.44Å; L78-D82 VanDerWaalsContact CD2-CB 3.44Å; T79-D82 PolarHBondContact N-OD2 3.31Å; T79-D82 VanDerWaalsContact O-CB 3.3Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 3.16Å; T79-D82 PolarHBondContact OG1-OD2 3.38Å; A80-D82 PolarHBondContact O-N 3.32Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-Y86 PolarHBondContact O-OH 2.83Å
83T90.6Very high89.4Confident44 Ų4450.2 Ų50.227%0.2726%0.257SS..  trans-60109.8174.7-56.50000109.9A80 V106 T107A80-T83 PolarHBondContact O-OG1 2.97Å; T83-V106 VanDerWaalsContact CA-O 3.29Å; T83-V106 WeakPolarHBondContact CA-O 3.37Å; T83-T107 HydrophobicContact CG2-CG2 3.96Å; T83-T107 PolarHBondContact OG1-OXT 2.59Å; T83-T107 VanDerWaalsContact OG1-OXT 3.13Å
84A93.6Very high88Confident5 Ų555 Ų554%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-163.6165.8-173.100000110.6R31 Q32 F33 D82 Y86 V106R31-A84 HydrophobicContact CB-CB 3.89Å; R31-A84 HydrophobicContact CG-CB 4.46Å; Q32-A84 WeakPolarHBondContact O-CA 3.34Å; Q32-A84 WeakPolarHBondContact O-CB 3.43Å; F33-A84 HydrophobicContact CD1-CB 3.97Å; F33-A84 HydrophobicContact CE1-CB 4.1Å; D82-A84 PolarHBondContact O-N 2.98Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.91Å; A84-Y86 WeakPolarHBondContact O-CD2 3.08Å; A84-V106 PolarHBondContact N-O 3.21Å; A84-V106 VanDerWaalsContact N-O 3.08Å; A84-V106 PolarHBondContact O-N 3.02Å
85T94.7Very high86.4Confident40 Ų4058.1 Ų58.125%0.24529%0.292CS..EExtended strand (participates in β ladder)trans-90.9124.6165.6-54.20000109.3R31 Q32 Y87R31-T85 CarbonylContact C-O 3.58Å; R31-T85 WeakPolarHBondContact CA-O 3.02Å; Q32-T85 PolarHBondContact N-O 2.8Å; Q32-T85 PolarHBondContact O-N 2.8Å; T85-Y87 HydrophobicContact CG2-CD2 4.33Å; T85-Y87 HydrophobicContact CG2-CE1 3.97Å; T85-Y87 HydrophobicContact CG2-CE2 3.59Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.36Å; T85-Y87 WeakPolarHBondContact O-CD2 3.2Å
86Y94.8Very high84.9Confident1 Ų161.6 Ų61.60%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-100.8123.3-176.1-74.8-106.4000110.3L11 I30 R31 I41 L73 M75 D82 A84 G103 T104 V106L11-Y86 HydrophobicContact CD1-CD1 3.76Å; L11-Y86 HydrophobicContact CD1-CD2 4.32Å; L11-Y86 HydrophobicContact CD1-CG 3.56Å; I30-Y86 CarbonylContact O-C 3.44Å; I30-Y86 WeakPolarHBondContact O-CA 3.19Å; R31-Y86 HydrophobicContact CB-CD1 3.95Å; R31-Y86 HydrophobicContact CB-CD2 4.36Å; R31-Y86 HydrophobicContact CB-CE1 3.93Å; R31-Y86 HydrophobicContact CB-CE2 4.29Å; R31-Y86 HydrophobicContact CB-CG 4.18Å; R31-Y86 PolarHBondContact NH1-OH 3.18Å; I41-Y86 HydrophobicContact CD1-CD1 3.61Å; I41-Y86 HydrophobicContact CD1-CE1 3.46Å; I41-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L73-Y86 HydrophobicContact CD2-CD1 3.74Å; L73-Y86 HydrophobicContact CD2-CE1 4Å; M75-Y86 HydrophobicContact SD-CE1 3.54Å; M75-Y86 VanDerWaalsContact SD-CE1 3.54Å; M75-Y86 PolarHBondContact SD-OH 3.2Å; D82-Y86 PolarHBondContact O-OH 2.83Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.91Å; A84-Y86 WeakPolarHBondContact O-CD2 3.08Å; Y86-G103 CarbonylContact O-C 3.55Å; Y86-G103 WeakPolarHBondContact O-CA 3.4Å; Y86-T104 PolarHBondContact N-O 3.43Å; Y86-T104 PolarHBondContact O-N 2.74Å; Y86-V106 HydrophobicContact CD2-CB 3.87Å; Y86-V106 HydrophobicContact CD2-CG2 3.6Å; Y86-V106 HydrophobicContact CE2-CB 3.72Å; Y86-V106 HydrophobicContact CE2-CG1 4.43Å; Y86-V106 HydrophobicContact CE2-CG2 3.88Å; Y86-V106 HydrophobicContact CG-CG2 4.37Å
87Y95.1Very high83.6Confident47 Ų4763.1 Ų63.118%0.18433%0.328CS..EExtended strand (participates in β ladder)trans-114.5144.8-180-58.4-87.7000110.5W29 I30 Q32 T85 W100 G101W29-Y87 WeakPolarHBondContact CA-O 3.26Å; I30-Y87 PolarHBondContact N-O 2.87Å; I30-Y87 PolarHBondContact O-N 2.83Å; Q32-Y87 HydrophobicContact CB-CD2 4.23Å; Q32-Y87 HydrophobicContact CB-CE2 3.61Å; Q32-Y87 VanDerWaalsContact OE1-CE2 3.29Å; Q32-Y87 PolarHBondContact OE1-OH 3.12Å; T85-Y87 HydrophobicContact CG2-CD2 4.33Å; T85-Y87 HydrophobicContact CG2-CE1 3.97Å; T85-Y87 HydrophobicContact CG2-CE2 3.59Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.36Å; T85-Y87 WeakPolarHBondContact O-CD2 3.2Å; Y87-W100 HydrophobicContact CD1-CE3 4.24Å; Y87-W100 HydrophobicContact CD2-CE3 4.39Å; Y87-W100 HydrophobicContact CD2-CZ3 4.13Å; Y87-W100 AromaticContact CG-CE3 3.81Å; Y87-W100 HydrophobicContact CG-CE3 3.81Å; Y87-W100 AromaticContact CG-CZ3 3.97Å; Y87-W100 HydrophobicContact CG-CZ3 3.97Å; Y87-G101 WeakPolarHBondContact CD1-O 3.4Å
88C94.7Very high82.7Confident16 Ų1662.8 Ų62.811%0.10832%0.32CS..EExtended strand (participates in β ladder)trans-96.814316157.60000110.2C13 S28 W29 F71 W100 G101C13-C88 HydrophobicContact CB-CB 3.4Å; C13-C88 WeakPolarHBondContact CB-SG 3.4Å; C13-C88 WeakPolarHBondContact SG-CB 3.44Å; C13-C88 CovalentContact SG-SG 2.04Å; C13-C88 PolarHBondContact SG-SG 2.78Å; S28-C88 CarbonylContact O-C 3.55Å; S28-C88 VanDerWaalsContact O-CA 3.29Å; S28-C88 WeakPolarHBondContact O-CA 3.26Å; W29-C88 HydrophobicContact CE3-CB 4.2Å; W29-C88 HydrophobicContact CH2-CB 4.26Å; W29-C88 HydrophobicContact CZ3-CB 4.07Å; F71-C88 HydrophobicContact CE1-CB 4.4Å; F71-C88 HydrophobicContact CE2-CB 3.96Å; F71-C88 HydrophobicContact CZ-CB 3.52Å; C88-W100 CarbonylContact O-C 3.55Å; C88-W100 WeakPolarHBondContact O-CA 3.4Å; C88-G101 PolarHBondContact O-N 3.32Å
89A93.1Very high82.4Confident3 Ų368.5 Ų68.53%0.02534%0.341CS..EExtended strand (participates in β ladder)trans-139.2151.4-179.700000111.8S28 I30 M97 Y99 W100S28-A89 PolarHBondContact N-O 3.02Å; S28-A89 PolarHBondContact O-N 3.38Å; I30-A89 HydrophobicContact CD1-CB 4.06Å; A89-M97 HydrophobicContact CB-CE 3.41Å; A89-M97 VanDerWaalsContact CB-CE 3.41Å; A89-Y99 VanDerWaalsContact CA-O 3.26Å; A89-Y99 WeakPolarHBondContact CA-O 3.21Å; A89-W100 HydrophobicContact CB-CD2 4.1Å; A89-W100 HydrophobicContact CB-CE3 4.44Å; A89-W100 HydrophobicContact CB-CG 4.37Å
90R90.7Very high82.3Confident54 Ų5469.7 Ų69.720%0.20434%0.338CS..EExtended strand (participates in β ladder)trans-109.1134.4175.8-172.2-173.677.5-163.86.6110.4Y25 W27 D98 Y99Y25-R90 HydrophobicContact CD1-CG 3.67Å; Y25-R90 HydrophobicContact CE1-CG 4.26Å; Y25-R90 HydrophobicContact CG-CG 4.09Å; W27-R90 HydrophobicContact CE3-CB 3.96Å; W27-R90 HydrophobicContact CE3-CG 3.86Å; W27-R90 HydrophobicContact CH2-CB 4.43Å; W27-R90 VanDerWaalsContact CH2-CD 3.4Å; W27-R90 HydrophobicContact CH2-CG 3.72Å; W27-R90 HydrophobicContact CZ2-CG 4.39Å; W27-R90 HydrophobicContact CZ3-CB 3.65Å; W27-R90 VanDerWaalsContact CZ3-CD 3.48Å; W27-R90 HydrophobicContact CZ3-CG 3.4Å; R90-D98 IonicContact CZ-OD2 3.33Å; R90-D98 IonicContact NE-OD2 3.58Å; R90-D98 VanDerWaalsContact NH2-CB 3.26Å; R90-D98 IonicContact NH2-OD2 3.67Å; R90-D98 PolarHBondContact NH2-OD2 3.48Å; R90-D98 PolarHBondContact O-N 3.21Å; R90-Y99 PolarHBondContact N-O 2.94Å
91Y86.4Confident82.3Confident63 Ų6366.1 Ų66.125%0.24731%0.31CS..EExtended strand (participates in β ladder)trans-134140.1174.3174.4-94.8000111.1Y25 R26 Y95 M97Y25-Y91 CarbonylContact C-O 3.45Å; Y25-Y91 VanDerWaalsContact CA-O 3.27Å; Y25-Y91 WeakPolarHBondContact CA-O 3.41Å; R26-Y91 HydrophobicContact CB-CD1 4.43Å; R26-Y91 HydrophobicContact CG-CD1 4.44Å; R26-Y91 PolarHBondContact N-O 3.39Å; R26-Y91 PolarHBondContact O-N 2.8Å; Y91-Y95 WeakPolarHBondContact CE2-O 3.33Å; Y91-M97 HydrophobicContact CD2-CG 3.94Å
92R82.9Confident82.2Confident73 Ų7367.4 Ų67.428%0.27532%0.318SS..EExtended strand (participates in β ladder)trans-121.8139.4173.2-169.6169.9163.6172.9-0.1109.2Y25 D94 Y95Y25-R92 HydrophobicContact CD1-CB 3.6Å; Y25-R92 HydrophobicContact CD1-CG 4.05Å; Y25-R92 HydrophobicContact CE1-CB 3.6Å; Y25-R92 HydrophobicContact CE1-CG 3.95Å; R92-D94 IonicContact CZ-OD2 2.64Å; R92-D94 IonicContact NE-OD2 2.64Å; R92-D94 PolarHBondContact NE-OD2 3.05Å; R92-D94 IonicContact NH2-OD2 3.22Å; R92-D94 PolarHBondContact O-N 3.43Å; R92-Y95 HydrophobicContact CB-CD2 4.39Å; R92-Y95 HydrophobicContact CG-CD2 4.37Å; R92-Y95 CarbonylContact O-C 3.5Å; R92-Y95 PolarHBondContact O-N 3.24Å
93Y67.8Low82Confident148 Ų14868.5 Ų68.558%0.5833%0.33SS*.THydrogen-bonded Turntrans-54.1-28.8-176.5-133.3-78.6000114.2
94D67Low82Confident100 Ų10069.7 Ų69.754%0.53534%0.338SS..THydrogen-bonded Turntrans-91.1-5-177.5-42.3-47.7000113.6R92R92-D94 IonicContact CZ-OD2 2.64Å; R92-D94 IonicContact NE-OD2 2.64Å; R92-D94 PolarHBondContact NE-OD2 3.05Å; R92-D94 IonicContact NH2-OD2 3.22Å; R92-D94 PolarHBondContact O-N 3.43Å
95Y61.5Low81.7Confident142 Ų14273.6 Ų73.656%0.55737%0.365SS*.SBendtrans-140.3168.7-173.4-63.8-84000112.3Y91 R92Y91-Y95 WeakPolarHBondContact CE2-O 3.33Å; R92-Y95 HydrophobicContact CB-CD2 4.39Å; R92-Y95 HydrophobicContact CG-CD2 4.37Å; R92-Y95 CarbonylContact O-C 3.5Å; R92-Y95 PolarHBondContact O-N 3.24Å
96A61.2Low81.2Confident74 Ų7472.5 Ų72.561%0.61236%0.358SS*.SBendtrans-69.9179.6173.400000111.6D98A96-D98 PolarHBondContact O-N 2.96Å; A96-D98 VanDerWaalsContact O-OD1 3.04Å
97M63Low80.5Confident81 Ų8177.9 Ų77.940%0.39939%0.391SS..EExtended strand (participates in β ladder)trans-63.6105.9167.7-78.1174.581.400109I30 A89 Y91 W100I30-M97 HydrophobicContact CD1-CE 3.4Å; I30-M97 VanDerWaalsContact CD1-CE 3.4Å; A89-M97 HydrophobicContact CB-CE 3.41Å; A89-M97 VanDerWaalsContact CB-CE 3.41Å; Y91-M97 HydrophobicContact CD2-CG 3.94Å; M97-W100 HydrophobicContact CE-CH2 4.13Å; M97-W100 HydrophobicContact CE-CZ2 3.31Å; M97-W100 HydrophobicContact SD-CZ2 4.19Å
98D68.8Low79.8Confident68 Ų6879.5 Ų79.536%0.36440%0.401SS..EExtended strand (participates in β ladder)trans-81.7-24.6-169-63.3-29.8000113.6R90 A96R90-D98 IonicContact CZ-OD2 3.33Å; R90-D98 IonicContact NE-OD2 3.58Å; R90-D98 VanDerWaalsContact NH2-CB 3.26Å; R90-D98 IonicContact NH2-OD2 3.67Å; R90-D98 PolarHBondContact NH2-OD2 3.48Å; R90-D98 PolarHBondContact O-N 3.21Å; A96-D98 PolarHBondContact O-N 2.96Å; A96-D98 VanDerWaalsContact O-OD1 3.04Å
99Y78.6Confident79Confident142 Ų14282.8 Ų82.856%0.55742%0.417SS*.EExtended strand (participates in β ladder)trans-157.4141.8-170.5-168.1-97.7000113.3A89 R90A89-Y99 VanDerWaalsContact CA-O 3.26Å; A89-Y99 WeakPolarHBondContact CA-O 3.21Å; R90-Y99 PolarHBondContact N-O 2.94Å
100W85.2Confident78.2Confident95 Ų9587.2 Ų87.236%0.3644%0.439SS..EExtended strand (participates in β ladder)trans-123137.8173.1-71.270.5000109.8I30 L38 Y87 C88 A89 M97I30-W100 HydrophobicContact CB-CH2 4.19Å; I30-W100 HydrophobicContact CB-CZ3 4.06Å; I30-W100 HydrophobicContact CD1-CH2 3.37Å; I30-W100 HydrophobicContact CD1-CZ2 3.84Å; I30-W100 HydrophobicContact CD1-CZ3 3.87Å; I30-W100 HydrophobicContact CG1-CH2 4.36Å; I30-W100 HydrophobicContact CG2-CH2 3.93Å; I30-W100 HydrophobicContact CG2-CZ3 4.06Å; L38-W100 HydrophobicContact CD1-CH2 4.24Å; L38-W100 HydrophobicContact CD2-CH2 4.31Å; L38-W100 HydrophobicContact CD2-CZ3 4.5Å; Y87-W100 HydrophobicContact CD1-CE3 4.24Å; Y87-W100 HydrophobicContact CD2-CE3 4.39Å; Y87-W100 HydrophobicContact CD2-CZ3 4.13Å; Y87-W100 AromaticContact CG-CE3 3.81Å; Y87-W100 HydrophobicContact CG-CE3 3.81Å; Y87-W100 AromaticContact CG-CZ3 3.97Å; Y87-W100 HydrophobicContact CG-CZ3 3.97Å; C88-W100 CarbonylContact O-C 3.55Å; C88-W100 WeakPolarHBondContact O-CA 3.4Å; A89-W100 HydrophobicContact CB-CD2 4.1Å; A89-W100 HydrophobicContact CB-CE3 4.44Å; A89-W100 HydrophobicContact CB-CG 4.37Å; M97-W100 HydrophobicContact CE-CH2 4.13Å; M97-W100 HydrophobicContact CE-CZ2 3.31Å; M97-W100 HydrophobicContact SD-CZ2 4.19Å
101G85.6Confident77.5Confident16 Ų1689.2 Ų89.217%0.16545%0.453CS..  trans-72.5169.9170.800000112.5Y87 C88 G103Y87-G101 WeakPolarHBondContact CD1-O 3.4Å; C88-G101 PolarHBondContact O-N 3.32Å; G101-G103 PolarHBondContact O-N 3.05Å
102Q82.9Confident76.9Confident200 Ų20090.8 Ų90.894%0.93547%0.465SS*.  trans-65.7-10.3-175.3-73-171.5-36.300115.3
103G83.9Confident76.5Confident26 Ų2692 Ų9227%0.26848%0.478SS..  trans77.2148.3178.900000113.4Y86 G101Y86-G103 CarbonylContact O-C 3.55Å; Y86-G103 WeakPolarHBondContact O-CA 3.4Å; G101-G103 PolarHBondContact O-N 3.05Å
104T89.6Confident77.1Confident69 Ų6988 Ų8842%0.42347%0.471SS..EExtended strand (participates in β ladder)trans-128122.1176.8-56.90000109.5L11 Y86L11-T104 HydrophobicContact CD2-CG2 3.9Å; Y86-T104 PolarHBondContact N-O 3.43Å; Y86-T104 PolarHBondContact O-N 2.74Å
105S88.3Confident77.9Confident87 Ų8787.1 Ų87.161%0.60847%0.466SS*.EExtended strand (participates in β ladder)trans-74.6127174.8-175.10000110.3
106V84.1Confident79.3Confident18 Ų1882.5 Ų82.511%0.10946%0.458CS..EExtended strand (participates in β ladder)trans-117.7127.8172.5-179.60000107.4V9 L11 L78 T83 A84 Y86V9-V106 HydrophobicContact CG2-CG1 4.45Å; V9-V106 HydrophobicContact CG2-CG2 4.25Å; L11-V106 HydrophobicContact CD1-CG2 4.29Å; L11-V106 HydrophobicContact CD2-CG2 4.12Å; L78-V106 HydrophobicContact CD1-CG1 4.32Å; T83-V106 VanDerWaalsContact CA-O 3.29Å; T83-V106 WeakPolarHBondContact CA-O 3.37Å; A84-V106 PolarHBondContact N-O 3.21Å; A84-V106 VanDerWaalsContact N-O 3.08Å; A84-V106 PolarHBondContact O-N 3.02Å; Y86-V106 HydrophobicContact CD2-CB 3.87Å; Y86-V106 HydrophobicContact CD2-CG2 3.6Å; Y86-V106 HydrophobicContact CE2-CB 3.72Å; Y86-V106 HydrophobicContact CE2-CG1 4.43Å; Y86-V106 HydrophobicContact CE2-CG2 3.88Å; Y86-V106 HydrophobicContact CG-CG2 4.37Å
107T80.2Confident80.9Confident114 Ų11483.3 Ų83.370%0.69944%0.444SS*.  trans-126.70-177.653.80000111.4T83T83-T107 HydrophobicContact CG2-CG2 3.96Å; T83-T107 PolarHBondContact OG1-OXT 2.59Å; T83-T107 VanDerWaalsContact OG1-OXT 3.13Å

Retrieved 107 of 107 residues in 24.9 ms (Link to these results)

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