A0A077Z6N1_TRITR Loading...

Small heat shock protein

AlphaFold DB , UniProt , Accession A0A077Z6N1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M66.1Low81Confident243 Ų243149.5 Ų149.5100%1.19782%0.817SS**  0121.50-71176.8175.200106.5
2S75.2Confident80.9Confident116 Ų116147.3 Ų147.381%0.81180%0.796SS**PPolyproline II helixtrans-68.5129.8175.1-176.10000108.4
3S77.8Confident80.4Confident98 Ų98148.4 Ų148.469%0.68580%0.801SS**PPolyproline II helixtrans-58.2142.4167.9-62.80000109.2E5S3-E5 PolarHBondContact O-N 3.35Å
4P81.5Confident79.4Confident111 Ų111148.2 Ų148.272%0.72178%0.784SS**PPolyproline II helixtrans-65131.6174.725.5-31.7000110
5E81.5Confident78.4Confident185 Ų185143.3 Ų143.386%0.86476%0.762SS**PPolyproline II helixtrans-79117.7170.1-68.4-178.9169.300108.6S3S3-E5 PolarHBondContact O-N 3.35Å
6I87.6Confident77.5Confident133 Ų133141.3 Ų141.368%0.68277%0.771SS**  trans-106.5110.5176.4-56.8174.2000107.2L8I6-L8 PolarHBondContact O-N 3.06Å
7P86Confident76.9Confident115 Ų115140.1 Ų140.175%0.74776%0.764SS**PPolyproline II helixtrans-69130.1177.926.8-31.9000110.1
8L84.3Confident76.7Confident149 Ų149136.8 Ų136.878%0.7874%0.744SS**PPolyproline II helixtrans-97.9118174-66.8175.8000109.1I6 V10I6-L8 PolarHBondContact O-N 3.06Å; L8-V10 PolarHBondContact O-N 2.53Å
9P83.7Confident77.1Confident122 Ų122131.2 Ų131.279%0.79271%0.711SS**PPolyproline II helixtrans-69.5130.1178.126.2-31.5000110.7
10V83.5Confident77.3Confident131 Ų131126.6 Ų126.679%0.79469%0.686SS**PPolyproline II helixtrans-95.1126.2177.6-175.60000108.8L8L8-V10 PolarHBondContact O-N 2.53Å
11R83.5Confident77.8Confident242 Ų242120.5 Ų120.591%0.91365%0.653SS**PPolyproline II helixtrans-86.3146.5172.7-62.1-174.3-179.9-163.7-0.2109.5
12H80.3Confident78.6Confident122 Ų122112.5 Ų112.557%0.56562%0.619SS**  trans-142154.8-179.667.179.1000111.2W14H12-W14 HydrophobicContact CB-CD2 4.32Å; H12-W14 HydrophobicContact CB-CG 4.29Å; H12-W14 AromaticContact ND1-CG 3.9Å
13D74.9Confident79.1Confident162 Ų162108.7 Ų108.787%0.86659%0.589SS**  trans-113.820-178.7-62.4-37.2000112.9
14W66.4Low79.3Confident146 Ų146105.5 Ų105.555%0.55356%0.563SS**  trans-58141.5-171.7-64.2-13.4000115.7H12 D20H12-W14 HydrophobicContact CB-CD2 4.32Å; H12-W14 HydrophobicContact CB-CG 4.29Å; H12-W14 AromaticContact ND1-CG 3.9Å; W14-D20 HydrophobicContact CH2-CB 4.14Å; W14-D20 WeakPolarHBondContact CH2-OD2 2.92Å; W14-D20 HydrophobicContact CZ2-CB 3.96Å; W14-D20 VanDerWaalsContact CZ2-CG 3.41Å; W14-D20 VanDerWaalsContact CZ2-OD2 3.26Å; W14-D20 WeakPolarHBondContact CZ2-OD2 2.79Å
15T64.2Low79Confident75 Ų75105 Ų10546%0.4656%0.562SS.*  trans-113.9158170.562.70000111.7D17 M18T15-D17 VanDerWaalsContact C-N 3.3Å; T15-D17 WeakPolarHBondContact CB-OD1 3.25Å; T15-D17 PolarHBondContact O-N 3.46Å; T15-D17 PolarHBondContact OG1-OD1 2.79Å; T15-M18 PolarHBondContact O-N 3.11Å; T15-M18 PolarHBondContact OG1-SD 3.11Å
16A63.8Low78.3Confident110 Ų110102 Ų10291%0.90955%0.553SS**THydrogen-bonded Turntrans-71-17.1-166.600000115.6
17D67.1Low77.3Confident122 Ų122103.6 Ų103.665%0.65256%0.557SS**THydrogen-bonded Turntrans-90.40.5-178.858.6-30.7000113.7T15T15-D17 VanDerWaalsContact C-N 3.3Å; T15-D17 WeakPolarHBondContact CB-OD1 3.25Å; T15-D17 PolarHBondContact O-N 3.46Å; T15-D17 PolarHBondContact OG1-OD1 2.79Å
18M73.1Confident76.6Confident81 Ų8198.5 Ų98.540%0.39953%0.526SS..  trans-111.1122.2-177.6-70.1167.867.100110.2T15 D20 I29T15-M18 PolarHBondContact O-N 3.11Å; T15-M18 PolarHBondContact OG1-SD 3.11Å; M18-D20 PolarHBondContact O-N 3.17Å; M18-I29 HydrophobicContact CB-CG2 3.73Å; M18-I29 HydrophobicContact CE-CB 4.1Å; M18-I29 HydrophobicContact CE-CD1 3.17Å; M18-I29 HydrophobicContact CE-CG1 3.6Å; M18-I29 HydrophobicContact CE-CG2 3.65Å; M18-I29 HydrophobicContact CG-CG2 3.89Å
19W83.7Confident76.3Confident29 Ų2993.1 Ų93.111%0.1150%0.497CS..EExtended strand (participates in β ladder)trans-86.7110.7172.7-78.918.6000109.2W21 I29 A30 V32 F39 V41 L62 Y86W19-W21 PolarHBondContact O-N 2.84Å; W19-W21 VanDerWaalsContact O-N 3.1Å; W19-I29 WeakPolarHBondContact O-CA 3.35Å; W19-A30 HydrophobicContact CB-CB 4.09Å; W19-A30 PolarHBondContact O-N 2.66Å; W19-V32 HydrophobicContact CB-CG2 4.22Å; W19-V32 HydrophobicContact CD2-CG2 3.73Å; W19-V32 HydrophobicContact CE3-CG2 4.41Å; W19-V32 HydrophobicContact CG-CG2 3.64Å; W19-F39 HydrophobicContact CH2-CE1 4.44Å; W19-F39 HydrophobicContact CH2-CE2 4.24Å; W19-F39 AromaticContact CH2-CZ 3.5Å; W19-F39 HydrophobicContact CH2-CZ 3.5Å; W19-F39 VanDerWaalsContact CH2-CZ 3.5Å; W19-F39 HydrophobicContact CZ2-CE2 4.06Å; W19-F39 AromaticContact CZ2-CZ 3.79Å; W19-F39 HydrophobicContact CZ2-CZ 3.79Å; W19-F39 HydrophobicContact CZ3-CZ 4.28Å; W19-V41 HydrophobicContact CD2-CG2 4.43Å; W19-V41 HydrophobicContact CE3-CB 4.31Å; W19-V41 HydrophobicContact CE3-CG1 4.18Å; W19-V41 HydrophobicContact CE3-CG2 3.75Å; W19-V41 HydrophobicContact CH2-CG1 4.26Å; W19-V41 HydrophobicContact CZ3-CB 4.19Å; W19-V41 HydrophobicContact CZ3-CG1 3.64Å; W19-V41 HydrophobicContact CZ3-CG2 4.1Å; W19-L62 HydrophobicContact CH2-CD2 3.89Å; W19-L62 HydrophobicContact CZ3-CD2 4.03Å; W19-Y86 HydrophobicContact CB-CD1 4.13Å; W19-Y86 HydrophobicContact CB-CE1 3.53Å; W19-Y86 AromaticContact CD1-CD1 3.9Å; W19-Y86 AromaticContact CD2-CD1 3.36Å; W19-Y86 HydrophobicContact CD2-CD1 3.36Å; W19-Y86 AromaticContact CD2-CD2 3.94Å; W19-Y86 HydrophobicContact CD2-CD2 3.94Å; W19-Y86 AromaticContact CD2-CE1 3.64Å; W19-Y86 HydrophobicContact CD2-CE1 3.64Å; W19-Y86 HydrophobicContact CD2-CE2 4.15Å; W19-Y86 AromaticContact CD2-CG 3.5Å; W19-Y86 HydrophobicContact CD2-CG 3.5Å; W19-Y86 AromaticContact CD2-CZ 4Å; W19-Y86 AromaticContact CE2-CD1 3.72Å; W19-Y86 AromaticContact CE2-CG 3.73Å; W19-Y86 AromaticContact CE3-CD1 3.67Å; W19-Y86 HydrophobicContact CE3-CD1 3.67Å; W19-Y86 AromaticContact CE3-CD2 3.31Å; W19-Y86 HydrophobicContact CE3-CD2 3.31Å; W19-Y86 AromaticContact CE3-CE1 3.85Å; W19-Y86 HydrophobicContact CE3-CE1 3.85Å; W19-Y86 AromaticContact CE3-CE2 3.47Å; W19-Y86 HydrophobicContact CE3-CE2 3.47Å; W19-Y86 VanDerWaalsContact CE3-CE2 3.47Å; W19-Y86 AromaticContact CE3-CG 3.38Å; W19-Y86 HydrophobicContact CE3-CG 3.38Å; W19-Y86 AromaticContact CE3-CZ 3.72Å; W19-Y86 AromaticContact CG-CD1 3.55Å; W19-Y86 HydrophobicContact CG-CD1 3.55Å; W19-Y86 AromaticContact CG-CE1 3.49Å; W19-Y86 HydrophobicContact CG-CE1 3.49Å; W19-Y86 VanDerWaalsContact CG-CE1 3.49Å; W19-Y86 HydrophobicContact CG-CG 4.2Å; W19-Y86 AromaticContact CH2-CD2 3.99Å; W19-Y86 HydrophobicContact CH2-CD2 3.99Å; W19-Y86 AromaticContact CH2-CG 3.76Å; W19-Y86 HydrophobicContact CH2-CG 3.76Å; W19-Y86 VanDerWaalsContact CZ2-CB 3.41Å; W19-Y86 HydrophobicContact CZ2-CD1 4.34Å; W19-Y86 AromaticContact CZ2-CG 3.9Å; W19-Y86 HydrophobicContact CZ2-CG 3.9Å; W19-Y86 HydrophobicContact CZ3-CD1 4.24Å; W19-Y86 AromaticContact CZ3-CD2 3.31Å; W19-Y86 HydrophobicContact CZ3-CD2 3.31Å; W19-Y86 AromaticContact CZ3-CE2 3.89Å; W19-Y86 HydrophobicContact CZ3-CE2 3.89Å; W19-Y86 AromaticContact CZ3-CG 3.49Å; W19-Y86 HydrophobicContact CZ3-CG 3.49Å; W19-Y86 VanDerWaalsContact CZ3-CG 3.49Å; W19-Y86 AromaticContact NE1-CD1 3.98Å
20D81.9Confident76.4Confident39 Ų3987.3 Ų87.321%0.20946%0.459CS..EExtended strand (participates in β ladder)trans-70.3102.4172.6170.348.8000109.8W14 M18 G28 R84 Y86W14-D20 HydrophobicContact CH2-CB 4.14Å; W14-D20 WeakPolarHBondContact CH2-OD2 2.92Å; W14-D20 HydrophobicContact CZ2-CB 3.96Å; W14-D20 VanDerWaalsContact CZ2-CG 3.41Å; W14-D20 VanDerWaalsContact CZ2-OD2 3.26Å; W14-D20 WeakPolarHBondContact CZ2-OD2 2.79Å; M18-D20 PolarHBondContact O-N 3.17Å; D20-G28 CarbonylContact C-O 3.4Å; D20-R84 PolarHBondContact O-NE 2.85Å; D20-R84 IonicContact OD2-CZ 2.72Å; D20-R84 IonicContact OD2-NE 3.73Å; D20-R84 IonicContact OD2-NH2 3.58Å; D20-R84 PolarHBondContact OD2-NH2 2.65Å; D20-Y86 PolarHBondContact O-OH 2.81Å
21W87.6Confident76.3Confident0 Ų091.2 Ų91.20%046%0.46CS..  trans-116.7105.3176.4-173.8-106.3000110.7W19 L23 Q24 G28 A30 L43 E44 V45 I64 V82 R84 Y86W19-W21 PolarHBondContact O-N 2.84Å; W19-W21 VanDerWaalsContact O-N 3.1Å; W21-L23 HydrophobicContact CZ2-CD1 4.05Å; W21-L23 PolarHBondContact O-N 2.81Å; W21-Q24 PolarHBondContact O-N 2.93Å; W21-G28 CarbonylContact C-O 3.58Å; W21-G28 VanDerWaalsContact C-O 3.23Å; W21-G28 WeakPolarHBondContact CA-O 2.92Å; W21-G28 PolarHBondContact N-O 2.88Å; W21-G28 CarbonylContact O-C 3.57Å; W21-G28 WeakPolarHBondContact O-CA 3.12Å; W21-A30 HydrophobicContact CB-CB 4.2Å; W21-L43 HydrophobicContact CB-CD2 3.98Å; W21-L43 HydrophobicContact CD2-CB 4.19Å; W21-L43 HydrophobicContact CD2-CD1 4.19Å; W21-L43 HydrophobicContact CD2-CD2 3.99Å; W21-L43 HydrophobicContact CD2-CG 4.35Å; W21-L43 HydrophobicContact CE3-CD1 4.14Å; W21-L43 HydrophobicContact CE3-CD2 4.37Å; W21-L43 HydrophobicContact CG-CB 4.27Å; W21-L43 HydrophobicContact CG-CD2 3.79Å; W21-L43 HydrophobicContact CG-CG 4.49Å; W21-L43 HydrophobicContact CH2-CD1 4.48Å; W21-L43 HydrophobicContact CZ2-CB 4.47Å; W21-L43 HydrophobicContact CZ3-CD1 4.27Å; W21-E44 PolarHBondContact NE1-O 2.75Å; W21-V45 HydrophobicContact CZ2-CG1 3.49Å; W21-V45 VanDerWaalsContact CZ2-CG1 3.49Å; W21-I64 HydrophobicContact CH2-CB 4.29Å; W21-I64 HydrophobicContact CH2-CG2 3.6Å; W21-I64 HydrophobicContact CZ3-CB 4.21Å; W21-I64 HydrophobicContact CZ3-CD1 4.46Å; W21-I64 HydrophobicContact CZ3-CG2 4.01Å; W21-V82 HydrophobicContact CH2-CG1 3.89Å; W21-V82 HydrophobicContact CZ2-CG1 4.31Å; W21-V82 HydrophobicContact CZ3-CG1 4.04Å; W21-R84 HydrophobicContact CE3-CB 4.05Å; W21-R84 HydrophobicContact CE3-CG 4.44Å; W21-R84 HydrophobicContact CZ3-CB 3.68Å; W21-Y86 HydrophobicContact CE3-CE2 4.18Å; W21-Y86 HydrophobicContact CZ3-CE2 4.49Å
22P83.7Confident76.6Confident75 Ų7581.7 Ų81.749%0.48743%0.429SS..THydrogen-bonded Turntrans-67.9-8-162.926.6-36.4000115.6V82P22-V82 HydrophobicContact CG-CG1 3.58Å; P22-V82 HydrophobicContact CG-CG2 4.12Å
23L84.3Confident77.2Confident35 Ų3580.8 Ų80.818%0.18342%0.423CS..THydrogen-bonded Turntrans-99.8-0.7-175.1-62173.2000113.7W21 E44 V45 F48 V82W21-L23 HydrophobicContact CZ2-CD1 4.05Å; W21-L23 PolarHBondContact O-N 2.81Å; L23-E44 WeakPolarHBondContact CB-O 3.39Å; L23-V45 HydrophobicContact CD1-CG1 4.05Å; L23-F48 HydrophobicContact CD1-CD2 4.19Å; L23-F48 HydrophobicContact CD1-CE2 3.48Å; L23-F48 VanDerWaalsContact CD1-CE2 3.48Å; L23-F48 HydrophobicContact CD1-CZ 4.31Å; L23-V82 HydrophobicContact CD1-CG2 3.95Å; L23-V82 HydrophobicContact CD2-CG2 4.18Å; L23-V82 HydrophobicContact CG-CG2 4.03Å
24Q83.7Confident78.1Confident31 Ų3176.7 Ų76.715%0.14540%0.401CS..  trans-80.1131.5-177.7-160.8143.718.700112W21 N26 G28 I29 A30 E44W21-Q24 PolarHBondContact O-N 2.93Å; Q24-N26 PolarHBondContact O-N 2.84Å; Q24-N26 VanDerWaalsContact O-N 3.11Å; Q24-G28 PolarHBondContact O-N 3.01Å; Q24-I29 PolarHBondContact OE1-O 2.97Å; Q24-A30 VanDerWaalsContact OE1-CB 3.3Å; Q24-E44 HydrophobicContact CG-CG 4.32Å
25S75.2Confident79.4Confident100 Ų10072.8 Ų72.870%0.69939%0.391SS*.THydrogen-bonded Turntrans-64.1-19.9-172.473.60000114.6E44S25-E44 PolarHBondContact N-OE2 3.01Å
26N65.7Low80.7Confident123 Ų12374 Ų7466%0.65841%0.409SS*.THydrogen-bonded Turntrans-115.471.1-173.2-133.655.1000109.9Q24Q24-N26 PolarHBondContact O-N 2.84Å; Q24-N26 VanDerWaalsContact O-N 3.11Å
27E67.8Low81.9Confident167 Ų16772.9 Ų72.978%0.7839%0.394SS*.THydrogen-bonded Turntrans76.413.9176.4-52.5176.4172.600116.6I29E27-I29 HydrophobicContact CB-CD1 3.97Å; E27-I29 PolarHBondContact O-N 2.66Å
28G70Confident83.2Confident8 Ų867.5 Ų67.58%0.08237%0.367CS..THydrogen-bonded Turntrans69.417.917800000113.8D20 W21 Q24D20-G28 CarbonylContact C-O 3.4Å; W21-G28 CarbonylContact C-O 3.58Å; W21-G28 VanDerWaalsContact C-O 3.23Å; W21-G28 WeakPolarHBondContact CA-O 2.92Å; W21-G28 PolarHBondContact N-O 2.88Å; W21-G28 CarbonylContact O-C 3.57Å; W21-G28 WeakPolarHBondContact O-CA 3.12Å; Q24-G28 PolarHBondContact O-N 3.01Å
29I78.1Confident84.3Confident35 Ų3563.9 Ų63.918%0.17935%0.349CS..EExtended strand (participates in β ladder)trans-110.7121.8-178.9-65.7136.8000111.3M18 W19 Q24 E27M18-I29 HydrophobicContact CB-CG2 3.73Å; M18-I29 HydrophobicContact CE-CB 4.1Å; M18-I29 HydrophobicContact CE-CD1 3.17Å; M18-I29 HydrophobicContact CE-CG1 3.6Å; M18-I29 HydrophobicContact CE-CG2 3.65Å; M18-I29 HydrophobicContact CG-CG2 3.89Å; W19-I29 WeakPolarHBondContact O-CA 3.35Å; Q24-I29 PolarHBondContact OE1-O 2.97Å; E27-I29 HydrophobicContact CB-CD1 3.97Å; E27-I29 PolarHBondContact O-N 2.66Å
30A85.6Confident84.9Confident0 Ų065.9 Ų65.90%036%0.36CS..EExtended strand (participates in β ladder)trans-84.8126.1173.200000110.9W19 W21 Q24 V32 V41 L43W19-A30 HydrophobicContact CB-CB 4.09Å; W19-A30 PolarHBondContact O-N 2.66Å; W21-A30 HydrophobicContact CB-CB 4.2Å; Q24-A30 VanDerWaalsContact OE1-CB 3.3Å; A30-V32 PolarHBondContact O-N 2.8Å; A30-V41 HydrophobicContact CB-CG2 3.88Å; A30-L43 HydrophobicContact CB-CD2 3.4Å
31R82.1Confident85.4Confident214 Ų21464 Ų6481%0.80835%0.35SS*.PPolyproline II helixtrans-76.1119.3172-68.7-175.3179174.8-0.1109.3
32V89.6Confident85.7Confident42 Ų4266.5 Ų66.526%0.25536%0.363SS..EExtended strand (participates in β ladder)trans-93.9121.6174.8-178.80000108.5W19 A30 N34 F39 V41W19-V32 HydrophobicContact CB-CG2 4.22Å; W19-V32 HydrophobicContact CD2-CG2 3.73Å; W19-V32 HydrophobicContact CE3-CG2 4.41Å; W19-V32 HydrophobicContact CG-CG2 3.64Å; A30-V32 PolarHBondContact O-N 2.8Å; V32-N34 HydrophobicContact CG1-CB 4.27Å; V32-F39 HydrophobicContact CG1-CD2 3.93Å; V32-F39 HydrophobicContact CG1-CE2 3.42Å; V32-F39 VanDerWaalsContact CG1-CE2 3.42Å; V32-F39 HydrophobicContact CG1-CZ 4.28Å; V32-V41 HydrophobicContact CG2-CB 4.39Å; V32-V41 HydrophobicContact CG2-CG2 4.02Å
33K92.6Very high86.2Confident102 Ų10262.9 Ų62.944%0.44334%0.34SS..EExtended strand (participates in β ladder)trans-90.3116.8165.8-178.7-174.9173-167.70107.7D35 S37 F39 E40K33-D35 WeakPolarHBondContact CE-OD2 3.5Å; K33-D35 IonicContact NZ-OD2 3.67Å; K33-S37 PolarHBondContact NZ-OG 3.38Å; K33-F39 CarbonylContact O-C 3.54Å; K33-F39 VanDerWaalsContact O-CA 3.31Å; K33-F39 WeakPolarHBondContact O-CA 3.46Å; K33-E40 HydrophobicContact CB-CB 4.35Å; K33-E40 PolarHBondContact N-O 3.39Å; K33-E40 PolarHBondContact O-N 2.93Å
34N93.4Very high86.6Confident76 Ų7663.6 Ų63.641%0.40634%0.342SS..EExtended strand (participates in β ladder)trans-137.693177.9-173.428.3000109.5V32 F39 K113V32-N34 HydrophobicContact CG1-CB 4.27Å; N34-F39 HydrophobicContact CB-CD2 4.44Å; N34-K113 PolarHBondContact OD1-NZ 2.91Å
35D93.5Very high87.1Confident64 Ų6462.1 Ų62.134%0.34234%0.335SS..EExtended strand (participates in β ladder)trans-135.3-176.1-176.166.228.7000111.2K33 S37 G38 K113K33-D35 WeakPolarHBondContact CE-OD2 3.5Å; K33-D35 IonicContact NZ-OD2 3.67Å; D35-S37 PolarHBondContact O-N 3.37Å; D35-S37 VanDerWaalsContact O-N 3.11Å; D35-S37 WeakPolarHBondContact OD1-CA 3.3Å; D35-S37 VanDerWaalsContact OD1-CB 3.25Å; D35-S37 WeakPolarHBondContact OD1-CB 3.31Å; D35-S37 PolarHBondContact OD1-N 3.12Å; D35-S37 PolarHBondContact OD1-OG 2.7Å; D35-G38 PolarHBondContact N-O 2.87Å; D35-G38 PolarHBondContact O-N 2.94Å; D35-G38 VanDerWaalsContact O-O 3.1Å; D35-G38 PolarHBondContact OD1-N 3.19Å; D35-K113 WeakPolarHBondContact O-CE 3.46Å
36A92.1Very high87.8Confident102 Ų10260.5 Ų60.584%0.84332%0.323SS*.THydrogen-bonded Turntrans-60.6-20.8-179.300000114
37S89.9Confident88.9Confident86 Ų8660.7 Ų60.760%0.60132%0.315SS*.THydrogen-bonded Turntrans-80.6-21.5177.3750000113.1K33 D35K33-S37 PolarHBondContact NZ-OG 3.38Å; D35-S37 PolarHBondContact O-N 3.37Å; D35-S37 VanDerWaalsContact O-N 3.11Å; D35-S37 WeakPolarHBondContact OD1-CA 3.3Å; D35-S37 VanDerWaalsContact OD1-CB 3.25Å; D35-S37 WeakPolarHBondContact OD1-CB 3.31Å; D35-S37 PolarHBondContact OD1-N 3.12Å; D35-S37 PolarHBondContact OD1-OG 2.7Å
38G93.9Very high90.1Very high8 Ų853.2 Ų53.28%0.08228%0.28CS..EExtended strand (participates in β ladder)trans149.5-164.1178.500000113.8D35 A111D35-G38 PolarHBondContact N-O 2.87Å; D35-G38 PolarHBondContact O-N 2.94Å; D35-G38 VanDerWaalsContact O-O 3.1Å; D35-G38 PolarHBondContact OD1-N 3.19Å; G38-A111 WeakPolarHBondContact CA-O 3.29Å
39F95.5Very high91.2Very high5 Ų555.8 Ų55.82%0.02229%0.294CS..EExtended strand (participates in β ladder)trans-118.1137175.4168.4-89.6000110W19 V32 K33 N34 V41 L88 P89 I92 S110 A111W19-F39 HydrophobicContact CH2-CE1 4.44Å; W19-F39 HydrophobicContact CH2-CE2 4.24Å; W19-F39 AromaticContact CH2-CZ 3.5Å; W19-F39 HydrophobicContact CH2-CZ 3.5Å; W19-F39 VanDerWaalsContact CH2-CZ 3.5Å; W19-F39 HydrophobicContact CZ2-CE2 4.06Å; W19-F39 AromaticContact CZ2-CZ 3.79Å; W19-F39 HydrophobicContact CZ2-CZ 3.79Å; W19-F39 HydrophobicContact CZ3-CZ 4.28Å; V32-F39 HydrophobicContact CG1-CD2 3.93Å; V32-F39 HydrophobicContact CG1-CE2 3.42Å; V32-F39 VanDerWaalsContact CG1-CE2 3.42Å; V32-F39 HydrophobicContact CG1-CZ 4.28Å; K33-F39 CarbonylContact O-C 3.54Å; K33-F39 VanDerWaalsContact O-CA 3.31Å; K33-F39 WeakPolarHBondContact O-CA 3.46Å; N34-F39 HydrophobicContact CB-CD2 4.44Å; F39-V41 HydrophobicContact CE1-CG1 4.06Å; F39-V41 HydrophobicContact CZ-CB 4.18Å; F39-V41 HydrophobicContact CZ-CG1 3.96Å; F39-L88 HydrophobicContact CE1-CD2 4.19Å; F39-L88 HydrophobicContact CZ-CD2 4.27Å; F39-P89 HydrophobicContact CD2-CG 4.06Å; F39-P89 HydrophobicContact CE2-CG 4.35Å; F39-I92 HydrophobicContact CB-CD1 3.3Å; F39-I92 HydrophobicContact CB-CG1 3.94Å; F39-I92 HydrophobicContact CG-CD1 4.26Å; F39-I92 HydrophobicContact CG-CG1 4.4Å; F39-S110 CarbonylContact O-C 3.56Å; F39-S110 WeakPolarHBondContact O-CA 3.28Å; F39-S110 WeakPolarHBondContact O-CB 3.35Å; F39-A111 PolarHBondContact N-O 2.92Å; F39-A111 PolarHBondContact O-N 2.87Å
40E96.1Very high92Very high72 Ų7258.4 Ų58.434%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-149137172.3-172.7-178120.300110.5K33 N42 T108 I109K33-E40 HydrophobicContact CB-CB 4.35Å; K33-E40 PolarHBondContact N-O 3.39Å; K33-E40 PolarHBondContact O-N 2.93Å; E40-N42 PolarHBondContact OE1-ND2 2.92Å; E40-T108 HydrophobicContact CG-CG2 3.75Å; E40-I109 CarbonylContact C-O 3.53Å; E40-I109 WeakPolarHBondContact CA-O 3.49Å
41V93.8Very high92.5Very high0 Ų066.1 Ų66.10%036%0.355CS..EExtended strand (participates in β ladder)trans-132.5143.1169.463.80000109.5W19 A30 V32 F39 L43 T108 I109W19-V41 HydrophobicContact CD2-CG2 4.43Å; W19-V41 HydrophobicContact CE3-CB 4.31Å; W19-V41 HydrophobicContact CE3-CG1 4.18Å; W19-V41 HydrophobicContact CE3-CG2 3.75Å; W19-V41 HydrophobicContact CH2-CG1 4.26Å; W19-V41 HydrophobicContact CZ3-CB 4.19Å; W19-V41 HydrophobicContact CZ3-CG1 3.64Å; W19-V41 HydrophobicContact CZ3-CG2 4.1Å; A30-V41 HydrophobicContact CB-CG2 3.88Å; V32-V41 HydrophobicContact CG2-CB 4.39Å; V32-V41 HydrophobicContact CG2-CG2 4.02Å; F39-V41 HydrophobicContact CE1-CG1 4.06Å; F39-V41 HydrophobicContact CZ-CB 4.18Å; F39-V41 HydrophobicContact CZ-CG1 3.96Å; V41-L43 HydrophobicContact CG2-CD2 3.76Å; V41-L43 HydrophobicContact CG2-CG 4.3Å; V41-T108 WeakPolarHBondContact O-CA 3.33Å; V41-I109 HydrophobicContact CG1-CB 3.86Å; V41-I109 PolarHBondContact N-O 2.79Å; V41-I109 PolarHBondContact O-N 3.43Å
42N93.9Very high93.2Very high51 Ų5157.9 Ų57.927%0.27333%0.325SS..EExtended strand (participates in β ladder)trans-120117.7179.7-68.8-65.6000109.4E40 I106 T108E40-N42 PolarHBondContact OE1-ND2 2.92Å; N42-I106 HydrophobicContact CB-CG2 3.9Å; N42-T108 WeakPolarHBondContact OD1-CB 3.38Å; N42-T108 WeakPolarHBondContact OD1-CG2 3.48Å; N42-T108 PolarHBondContact OD1-OG1 2.99Å
43L93.7Very high93.5Very high0 Ų057.1 Ų57.10%032%0.32CS..EExtended strand (participates in β ladder)trans-114.9126.4-175.3-54.5178.5000109.9W21 A30 V41 V45 I64 I106 L107 I109W21-L43 HydrophobicContact CB-CD2 3.98Å; W21-L43 HydrophobicContact CD2-CB 4.19Å; W21-L43 HydrophobicContact CD2-CD1 4.19Å; W21-L43 HydrophobicContact CD2-CD2 3.99Å; W21-L43 HydrophobicContact CD2-CG 4.35Å; W21-L43 HydrophobicContact CE3-CD1 4.14Å; W21-L43 HydrophobicContact CE3-CD2 4.37Å; W21-L43 HydrophobicContact CG-CB 4.27Å; W21-L43 HydrophobicContact CG-CD2 3.79Å; W21-L43 HydrophobicContact CG-CG 4.49Å; W21-L43 HydrophobicContact CH2-CD1 4.48Å; W21-L43 HydrophobicContact CZ2-CB 4.47Å; W21-L43 HydrophobicContact CZ3-CD1 4.27Å; A30-L43 HydrophobicContact CB-CD2 3.4Å; V41-L43 HydrophobicContact CG2-CD2 3.76Å; V41-L43 HydrophobicContact CG2-CG 4.3Å; L43-V45 PolarHBondContact O-N 2.92Å; L43-I64 HydrophobicContact CD1-CD1 3.27Å; L43-I106 CarbonylContact O-C 3.6Å; L43-I106 WeakPolarHBondContact O-CA 3.47Å; L43-L107 HydrophobicContact CB-CB 4.35Å; L43-L107 HydrophobicContact CD1-CD2 4.43Å; L43-L107 PolarHBondContact N-O 3.33Å; L43-L107 PolarHBondContact O-N 3.24Å; L43-I109 HydrophobicContact CD1-CD1 4.38Å
44E93Very high93.8Very high50 Ų5056.4 Ų56.423%0.23432%0.318CS..EExtended strand (participates in β ladder)trans-79.1122.8175.7-71173.4-155.800110.3W21 L23 Q24 S25 P46 I106W21-E44 PolarHBondContact NE1-O 2.75Å; L23-E44 WeakPolarHBondContact CB-O 3.39Å; Q24-E44 HydrophobicContact CG-CG 4.32Å; S25-E44 PolarHBondContact N-OE2 3.01Å; E44-P46 VanDerWaalsContact C-CD 3.46Å; E44-I106 HydrophobicContact CG-CG1 4.49Å
45V93.3Very high94Very high0 Ų055 Ų550%031%0.312CS..  trans-136.347.1178.6-71.20000111.2W21 L23 L43 Y47 F48 I53 L101 G105 L107W21-V45 HydrophobicContact CZ2-CG1 3.49Å; W21-V45 VanDerWaalsContact CZ2-CG1 3.49Å; L23-V45 HydrophobicContact CD1-CG1 4.05Å; L43-V45 PolarHBondContact O-N 2.92Å; V45-Y47 PolarHBondContact O-N 3.26Å; V45-F48 HydrophobicContact CB-CD2 4.02Å; V45-F48 HydrophobicContact CG1-CD2 4.47Å; V45-F48 PolarHBondContact O-N 2.92Å; V45-F48 VanDerWaalsContact O-N 3.07Å; V45-I53 HydrophobicContact CB-CD1 4.3Å; V45-I53 HydrophobicContact CG2-CD1 3.77Å; V45-L101 HydrophobicContact CG2-CD1 3.48Å; V45-L101 VanDerWaalsContact CG2-CD1 3.48Å; V45-G105 CarbonylContact C-O 3.51Å; V45-G105 WeakPolarHBondContact CA-O 3.3Å; V45-G105 WeakPolarHBondContact CG2-O 3.34Å; V45-G105 PolarHBondContact N-O 2.8Å; V45-L107 HydrophobicContact CG2-CB 3.78Å
46P90.2Very high94.1Very high66 Ų6656.5 Ų56.543%0.42932%0.315SS..THydrogen-bonded Turntrans-62.9-15.4-168.828.2-37.2000114.7E44E44-P46 VanDerWaalsContact C-CD 3.46Å
47Y89.6Confident94.3Very high127 Ų12754.6 Ų54.650%0.49829%0.291SS..THydrogen-bonded Turntrans-97.63.4-178.2-53.5-66.1000114.1V45V45-Y47 PolarHBondContact O-N 3.26Å
48F93Very high94.5Very high10 Ų1055.6 Ų55.64%0.04429%0.288CS..  trans-119137.4-176.2-58.8-93000111L23 V45 E52 I53 C66 H68 R80L23-F48 HydrophobicContact CD1-CD2 4.19Å; L23-F48 HydrophobicContact CD1-CE2 3.48Å; L23-F48 VanDerWaalsContact CD1-CE2 3.48Å; L23-F48 HydrophobicContact CD1-CZ 4.31Å; V45-F48 HydrophobicContact CB-CD2 4.02Å; V45-F48 HydrophobicContact CG1-CD2 4.47Å; V45-F48 PolarHBondContact O-N 2.92Å; V45-F48 VanDerWaalsContact O-N 3.07Å; F48-E52 HydrophobicContact CB-CB 4.29Å; F48-E52 HydrophobicContact CD1-CB 4.18Å; F48-I53 HydrophobicContact CB-CD1 3.97Å; F48-I53 HydrophobicContact CB-CG1 3.75Å; F48-C66 HydrophobicContact CD1-CB 3.65Å; F48-C66 HydrophobicContact CD2-CB 4.08Å; F48-C66 HydrophobicContact CE1-CB 3.52Å; F48-C66 WeakPolarHBondContact CE1-O 3.45Å; F48-C66 HydrophobicContact CE2-CB 4Å; F48-C66 HydrophobicContact CG-CB 3.92Å; F48-C66 HydrophobicContact CZ-CB 3.7Å; F48-H68 HydrophobicContact CD1-CB 3.79Å; F48-H68 HydrophobicContact CE1-CB 3.57Å; F48-H68 HydrophobicContact CZ-CB 4.36Å; F48-R80 HydrophobicContact CE1-CB 4.3Å; F48-R80 HydrophobicContact CZ-CB 3.75Å
49T93.1Very high94.5Very high62 Ų6258.6 Ų58.638%0.3832%0.319SS..  trans-84.2163.2169.462.30000110.6N51 E52T49-N51 PolarHBondContact O-N 2.68Å; T49-N51 VanDerWaalsContact O-N 3.14Å; T49-E52 WeakPolarHBondContact CB-OE2 3.17Å; T49-E52 PolarHBondContact N-OE2 3.4Å; T49-E52 WeakPolarHBondContact O-CB 3.45Å; T49-E52 PolarHBondContact O-N 2.88Å; T49-E52 VanDerWaalsContact OG1-CD 3.26Å; T49-E52 WeakPolarHBondContact OG1-CG 3.19Å; T49-E52 PolarHBondContact OG1-OE2 2.72Å
50P95.3Very high94.3Very high90 Ų9061.6 Ų61.658%0.58434%0.336SS*.G310 helixtrans-52.4-37.5178.6-2833.4000114.6E52 I53 L101P50-E52 PolarHBondContact O-N 2.91Å; P50-I53 PolarHBondContact O-N 3.13Å; P50-L101 HydrophobicContact CG-CD2 3.96Å
51N95.6Very high94.3Very high162 Ų16262.5 Ų62.587%0.86634%0.34SS*.G310 helixtrans-76.5-7.2-179.5-67.3-15.3000113.6T49T49-N51 PolarHBondContact O-N 2.68Å; T49-N51 VanDerWaalsContact O-N 3.14Å
52E95.6Very high94.3Very high40 Ų4062.7 Ų62.719%0.18734%0.341CS..G310 helixtrans-1013177.3-68.4171.7134.700111.8F48 T49 P50 C66 A67 H68F48-E52 HydrophobicContact CB-CB 4.29Å; F48-E52 HydrophobicContact CD1-CB 4.18Å; T49-E52 WeakPolarHBondContact CB-OE2 3.17Å; T49-E52 PolarHBondContact N-OE2 3.4Å; T49-E52 WeakPolarHBondContact O-CB 3.45Å; T49-E52 PolarHBondContact O-N 2.88Å; T49-E52 VanDerWaalsContact OG1-CD 3.26Å; T49-E52 WeakPolarHBondContact OG1-CG 3.19Å; T49-E52 PolarHBondContact OG1-OE2 2.72Å; P50-E52 PolarHBondContact O-N 2.91Å; E52-C66 CarbonylContact O-C 3.6Å; E52-C66 WeakPolarHBondContact O-CA 3.24Å; E52-A67 VanDerWaalsContact CB-O 3.3Å; E52-A67 WeakPolarHBondContact CB-O 3.47Å; E52-A67 WeakPolarHBondContact CG-O 3.36Å; E52-A67 PolarHBondContact O-N 3.09Å; E52-H68 IonicContact OE1-CE1 3.51Å; E52-H68 IonicContact OE1-CG 2.75Å; E52-H68 IonicContact OE1-ND1 3.83Å; E52-H68 PolarHBondContact OE1-ND1 3.46Å; E52-H68 IonicContact OE2-ND1 2.72Å
53I97.3Very high94.4Very high27 Ų2762 Ų6214%0.13834%0.338CS..EExtended strand (participates in β ladder)trans-120.2124.5-178.9-57.6171.8000108.7V45 F48 P50 V55 H65 L101 L107V45-I53 HydrophobicContact CB-CD1 4.3Å; V45-I53 HydrophobicContact CG2-CD1 3.77Å; F48-I53 HydrophobicContact CB-CD1 3.97Å; F48-I53 HydrophobicContact CB-CG1 3.75Å; P50-I53 PolarHBondContact O-N 3.13Å; I53-V55 HydrophobicContact CG2-CG2 4.15Å; I53-H65 WeakPolarHBondContact CA-O 3.15Å; I53-L101 HydrophobicContact CD1-CD1 4.2Å; I53-L101 HydrophobicContact CD1-CD2 3.86Å; I53-L107 HydrophobicContact CG2-CD2 3.95Å
54E97.7Very high94.5Very high87 Ų8762 Ų6241%0.40734%0.338SS..EExtended strand (participates in β ladder)trans-116130.9172-175.1170.4-122.600109.8K56 I64 H65E54-K56 HydrophobicContact CG-CD 4.08Å; E54-K56 HydrophobicContact CG-CG 4.08Å; E54-K56 WeakPolarHBondContact OE1-CE 3.4Å; E54-K56 IonicContact OE1-NZ 3.51Å; E54-K56 PolarHBondContact OE1-NZ 2.99Å; E54-K56 WeakPolarHBondContact OE2-CE 3.24Å; E54-K56 IonicContact OE2-NZ 3.17Å; E54-K56 PolarHBondContact OE2-NZ 3.01Å; E54-I64 WeakPolarHBondContact O-CA 3.43Å; E54-H65 HydrophobicContact CB-CB 4.36Å; E54-H65 PolarHBondContact N-O 3.27Å; E54-H65 PolarHBondContact O-N 2.81Å
55V97.3Very high94.7Very high46 Ų4661.7 Ų61.728%0.27934%0.337SS..EExtended strand (participates in β ladder)trans-125.5122.2175.3-177.10000108I53 L62 V63 L107 I109I53-V55 HydrophobicContact CG2-CG2 4.15Å; V55-L62 HydrophobicContact CG1-CD1 3.73Å; V55-V63 WeakPolarHBondContact CA-O 2.93Å; V55-L107 HydrophobicContact CG2-CD2 4.12Å; V55-I109 HydrophobicContact CG1-CD1 3.95Å; V55-I109 HydrophobicContact CG2-CD1 4.31Å
56K96.6Very high94.9Very high96 Ų9661.7 Ų61.742%0.41734%0.337SS..EExtended strand (participates in β ladder)trans-133.1151.4-177.9-73.5171.9171.6157.60110.6E54 V63E54-K56 HydrophobicContact CG-CD 4.08Å; E54-K56 HydrophobicContact CG-CG 4.08Å; E54-K56 WeakPolarHBondContact OE1-CE 3.4Å; E54-K56 IonicContact OE1-NZ 3.51Å; E54-K56 PolarHBondContact OE1-NZ 2.99Å; E54-K56 WeakPolarHBondContact OE2-CE 3.24Å; E54-K56 IonicContact OE2-NZ 3.17Å; E54-K56 PolarHBondContact OE2-NZ 3.01Å; K56-V63 PolarHBondContact N-O 2.74Å; K56-V63 PolarHBondContact O-N 3.13Å
57L95.9Very high95.1Very high62 Ų6260.2 Ų60.233%0.32533%0.33SS..EExtended strand (participates in β ladder)trans-107.3120.9166.3-177.671.5000109G59 E61 L88 P94 L97L57-G59 WeakPolarHBondContact CG-O 3.41Å; L57-E61 WeakPolarHBondContact CA-O 3.37Å; L57-L88 HydrophobicContact CD1-CD1 3.55Å; L57-L88 HydrophobicContact CD1-CG 4.42Å; L57-P94 HydrophobicContact CD2-CB 3.57Å; L57-L97 HydrophobicContact CB-CD1 4.41Å; L57-L97 HydrophobicContact CD1-CD1 4.23Å; L57-L97 HydrophobicContact CD2-CD1 3.91Å; L57-L97 HydrophobicContact CG-CD1 4.42Å
58L95Very high95.1Very high106 Ų10654.6 Ų54.656%0.55531%0.309SS*.EExtended strand (participates in β ladder)trans-116.4100.4173.6-59.5-176.9000108.5D60 E61 V63L58-D60 PolarHBondContact O-N 2.84Å; L58-E61 PolarHBondContact N-O 3.44Å; L58-E61 WeakPolarHBondContact O-CB 3.38Å; L58-E61 PolarHBondContact O-N 2.78Å; L58-V63 HydrophobicContact CB-CG2 4.49Å; L58-V63 HydrophobicContact CD1-CG2 3.92Å; L58-V63 HydrophobicContact CG-CG2 4.14Å
59G93.1Very high94.5Very high71 Ų7164.7 Ų64.773%0.73235%0.346SS*.THydrogen-bonded Turntrans66.8-116-171.800000111.3L57L57-G59 WeakPolarHBondContact CG-O 3.41Å
60D91.9Very high93.9Very high68 Ų6864.7 Ų64.736%0.36435%0.353SS..THydrogen-bonded Turntrans-103.99.2173.165-17.2000113.3L58 R87 L88L58-D60 PolarHBondContact O-N 2.84Å; D60-R87 IonicContact OD2-CZ 3.95Å; D60-R87 IonicContact OD2-NE 2.74Å; D60-R87 PolarHBondContact OD2-NE 2.79Å; D60-R87 IonicContact OD2-NH2 2.64Å; D60-R87 PolarHBondContact OD2-NH2 2.86Å; D60-L88 PolarHBondContact O-N 3.24Å
61E94.6Very high93.1Very high92 Ų9267.8 Ų67.843%0.4335%0.353SS..EExtended strand (participates in β ladder)trans-100.6118.6-178.8-73-168.6156.300112.1L57 L58 V63 C85L57-E61 WeakPolarHBondContact CA-O 3.37Å; L58-E61 PolarHBondContact N-O 3.44Å; L58-E61 WeakPolarHBondContact O-CB 3.38Å; L58-E61 PolarHBondContact O-N 2.78Å; E61-V63 PolarHBondContact O-N 2.74Å; E61-C85 WeakPolarHBondContact CB-SG 3.45Å; E61-C85 PolarHBondContact OE2-SG 2.76Å; E61-C85 VanDerWaalsContact OE2-SG 3.36Å
62L95.3Very high92.4Very high3 Ų365.3 Ų65.32%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-81.9109.4169.5-176.671.9000109.1W19 V55 I64 C85 Y86 L88 I109W19-L62 HydrophobicContact CH2-CD2 3.89Å; W19-L62 HydrophobicContact CZ3-CD2 4.03Å; V55-L62 HydrophobicContact CG1-CD1 3.73Å; L62-I64 HydrophobicContact CD2-CD1 4.28Å; L62-I64 HydrophobicContact CG-CG1 4.32Å; L62-C85 CarbonylContact O-C 3.52Å; L62-C85 WeakPolarHBondContact O-CA 3.37Å; L62-Y86 WeakPolarHBondContact CB-O 3.39Å; L62-Y86 PolarHBondContact N-O 3.36Å; L62-Y86 PolarHBondContact O-N 2.76Å; L62-L88 HydrophobicContact CB-CD2 4.09Å; L62-L88 HydrophobicContact CB-CG 4.15Å; L62-L88 HydrophobicContact CD2-CD2 4.26Å; L62-I109 HydrophobicContact CD1-CG2 4.37Å; L62-I109 HydrophobicContact CD2-CD1 3.8Å; L62-I109 HydrophobicContact CD2-CG2 3.94Å; L62-I109 HydrophobicContact CG-CD1 4.48Å
63V96.2Very high91.8Very high37 Ų3767.2 Ų67.222%0.22436%0.355CS..EExtended strand (participates in β ladder)trans-100.5125.9179.9-176.90000109.6V55 K56 L58 E61V55-V63 WeakPolarHBondContact CA-O 2.93Å; K56-V63 PolarHBondContact N-O 2.74Å; K56-V63 PolarHBondContact O-N 3.13Å; L58-V63 HydrophobicContact CB-CG2 4.49Å; L58-V63 HydrophobicContact CD1-CG2 3.92Å; L58-V63 HydrophobicContact CG-CG2 4.14Å; E61-V63 PolarHBondContact O-N 2.74Å
64I95.9Very high91.3Very high0 Ų073.9 Ų73.90%039%0.386CS..EExtended strand (participates in β ladder)trans-122.6121.4-179.6-51176.7000108.1W21 L43 E54 L62 H83 R84 Y86 L107 I109W21-I64 HydrophobicContact CH2-CB 4.29Å; W21-I64 HydrophobicContact CH2-CG2 3.6Å; W21-I64 HydrophobicContact CZ3-CB 4.21Å; W21-I64 HydrophobicContact CZ3-CD1 4.46Å; W21-I64 HydrophobicContact CZ3-CG2 4.01Å; L43-I64 HydrophobicContact CD1-CD1 3.27Å; E54-I64 WeakPolarHBondContact O-CA 3.43Å; L62-I64 HydrophobicContact CD2-CD1 4.28Å; L62-I64 HydrophobicContact CG-CG1 4.32Å; I64-H83 WeakPolarHBondContact O-CA 3.34Å; I64-R84 PolarHBondContact N-O 2.87Å; I64-R84 PolarHBondContact O-N 3.49Å; I64-Y86 HydrophobicContact CD1-CD2 4.12Å; I64-Y86 HydrophobicContact CD1-CE2 4.12Å; I64-L107 HydrophobicContact CG2-CD2 4.31Å; I64-I109 HydrophobicContact CD1-CD1 3.52Å; I64-I109 HydrophobicContact CG1-CD1 4.13Å
65H96.7Very high90.8Very high44 Ų4478 Ų7820%0.20440%0.403CS..EExtended strand (participates in β ladder)trans-123.7118.6175.9175.4-149.3000109.4I53 E54 E81 V82 H83I53-H65 WeakPolarHBondContact CA-O 3.15Å; E54-H65 HydrophobicContact CB-CB 4.36Å; E54-H65 PolarHBondContact N-O 3.27Å; E54-H65 PolarHBondContact O-N 2.81Å; H65-E81 IonicContact CD2-OE1 3.8Å; H65-E81 IonicContact CE1-OE1 3.61Å; H65-E81 IonicContact NE2-OE1 2.79Å; H65-E81 PolarHBondContact NE2-OE1 2.87Å; H65-V82 WeakPolarHBondContact CA-O 3.43Å; H65-H83 AromaticContact CD2-CD2 3.94Å; H65-H83 AromaticContact CD2-CE1 2.99Å; H65-H83 PolarHBondContact CD2-CE1 3.04Å; H65-H83 AromaticContact CD2-CG 3.98Å; H65-H83 AromaticContact CD2-ND1 3.43Å; H65-H83 PolarHBondContact CD2-ND1 3.48Å; H65-H83 AromaticContact CD2-NE2 3.33Å; H65-H83 PolarHBondContact CD2-NE2 3.07Å; H65-H83 VanDerWaalsContact CD2-NE2 3.33Å; H65-H83 AromaticContact CE1-CE1 3.73Å; H65-H83 AromaticContact CG-CE1 3.58Å; H65-H83 AromaticContact CG-ND1 3.83Å; H65-H83 AromaticContact NE2-CE1 3.1Å; H65-H83 PolarHBondContact NE2-CE1 3.21Å; H65-H83 AromaticContact NE2-ND1 3.99Å; H65-H83 AromaticContact NE2-NE2 3.24Å; H65-H83 PolarHBondContact NE2-NE2 2.94Å
66C96.2Very high90.4Very high0 Ų077.4 Ų77.40%041%0.406CS..EExtended strand (participates in β ladder)trans-113.9116.6174.1-60.40000108.2F48 E52 E81 V82F48-C66 HydrophobicContact CD1-CB 3.65Å; F48-C66 HydrophobicContact CD2-CB 4.08Å; F48-C66 HydrophobicContact CE1-CB 3.52Å; F48-C66 WeakPolarHBondContact CE1-O 3.45Å; F48-C66 HydrophobicContact CE2-CB 4Å; F48-C66 HydrophobicContact CG-CB 3.92Å; F48-C66 HydrophobicContact CZ-CB 3.7Å; E52-C66 CarbonylContact O-C 3.6Å; E52-C66 WeakPolarHBondContact O-CA 3.24Å; C66-E81 CarbonylContact O-C 3.19Å; C66-E81 VanDerWaalsContact O-CA 3.28Å; C66-E81 WeakPolarHBondContact O-CA 3.44Å; C66-V82 HydrophobicContact CB-CB 4.47Å; C66-V82 PolarHBondContact N-O 2.86Å; C66-V82 PolarHBondContact O-N 2.93Å
67A95.3Very high89.9Confident34 Ų3476.4 Ų76.428%0.28141%0.411SS..EExtended strand (participates in β ladder)trans-129.1110.6-177.900000112.2E52 E81E52-A67 VanDerWaalsContact CB-O 3.3Å; E52-A67 WeakPolarHBondContact CB-O 3.47Å; E52-A67 WeakPolarHBondContact CG-O 3.36Å; E52-A67 PolarHBondContact O-N 3.09Å; A67-E81 HydrophobicContact CB-CG 4.38Å
68H89.3Confident89.4Confident10 Ų1076.9 Ų76.95%0.04641%0.413CS..EExtended strand (participates in β ladder)trans-108.3115.6176.5-176.262.7000109.3F48 E52 R71 R80F48-H68 HydrophobicContact CD1-CB 3.79Å; F48-H68 HydrophobicContact CE1-CB 3.57Å; F48-H68 HydrophobicContact CZ-CB 4.36Å; E52-H68 IonicContact OE1-CE1 3.51Å; E52-H68 IonicContact OE1-CG 2.75Å; E52-H68 IonicContact OE1-ND1 3.83Å; E52-H68 PolarHBondContact OE1-ND1 3.46Å; E52-H68 IonicContact OE2-ND1 2.72Å; H68-R71 VanDerWaalsContact CE1-CZ 3.48Å; H68-R71 PolarHBondContact CE1-NE 3.11Å; H68-R71 PolarHBondContact CE1-NH2 3.27Å; H68-R71 VanDerWaalsContact NE2-CD 3.28Å; H68-R71 WeakPolarHBondContact NE2-CD 3.48Å; H68-R71 WeakPolarHBondContact NE2-CG 3.49Å; H68-R71 PolarHBondContact NE2-NE 3.3Å; H68-R80 HydrophobicContact CB-CB 4.26Å; H68-R80 PolarHBondContact N-O 2.84Å; H68-R80 PolarHBondContact O-N 3.1Å; H68-R80 VanDerWaalsContact O-N 3.11Å
69R80.3Confident89.2Confident221 Ų22175 Ų7583%0.83441%0.413SS*.EExtended strand (participates in β ladder)trans-67.2154.8177.7-67.5-171.3179.5-162.40.4111.1R71R69-R71 PolarHBondContact O-N 3.5Å; R69-R71 VanDerWaalsContact O-N 3.13Å
70A80.9Confident89.1Confident63 Ų6375.4 Ų75.452%0.52139%0.392SS..EExtended strand (participates in β ladder)trans-50.3116.8-178.100000112.4I78 A79A70-I78 CarbonylContact C-O 3.55Å; A70-I78 VanDerWaalsContact CA-O 3.32Å; A70-I78 WeakPolarHBondContact CA-O 3.39Å; A70-A79 HydrophobicContact CB-CB 4.16Å
71R78.9Confident89.2Confident155 Ų15577.9 Ų77.959%0.58540%0.402SS*.EExtended strand (participates in β ladder)trans-95.4122.1164.4-76.6-176.5-17717616.2108.8H68 R69 S77 I78H68-R71 VanDerWaalsContact CE1-CZ 3.48Å; H68-R71 PolarHBondContact CE1-NE 3.11Å; H68-R71 PolarHBondContact CE1-NH2 3.27Å; H68-R71 VanDerWaalsContact NE2-CD 3.28Å; H68-R71 WeakPolarHBondContact NE2-CD 3.48Å; H68-R71 WeakPolarHBondContact NE2-CG 3.49Å; H68-R71 PolarHBondContact NE2-NE 3.3Å; R69-R71 PolarHBondContact O-N 3.5Å; R69-R71 VanDerWaalsContact O-N 3.13Å; R71-S77 WeakPolarHBondContact O-CA 3.45Å; R71-I78 PolarHBondContact N-O 3.37Å; R71-I78 PolarHBondContact O-N 2.8Å
72T80.8Confident89.1Confident110 Ų11074.3 Ų74.368%0.67539%0.386SS*.EExtended strand (participates in β ladder)trans-86.4130.9175.4-50.90000109.6G76 S77T72-G76 CarbonylContact C-O 3.23Å; T72-G76 VanDerWaalsContact CA-O 3.29Å; T72-G76 WeakPolarHBondContact CA-O 3.48Å; T72-G76 WeakPolarHBondContact CG2-O 3.49Å; T72-S77 PolarHBondContact OG1-OG 3.32Å
73D82.2Confident89.1Confident79 Ų7979.2 Ų79.242%0.42241%0.409SS..EExtended strand (participates in β ladder)trans-123.9-171.7167.868.920.4000110F75 G76D73-F75 PolarHBondContact O-N 3.34Å; D73-F75 WeakPolarHBondContact OD1-CA 3.45Å; D73-F75 WeakPolarHBondContact OD1-CB 3.43Å; D73-F75 PolarHBondContact OD1-N 3.14Å; D73-G76 PolarHBondContact N-O 2.88Å; D73-G76 PolarHBondContact O-N 2.93Å; D73-G76 PolarHBondContact OD1-N 2.91Å
74Q87.8Confident88.9Confident167 Ų16781.7 Ų81.778%0.7841%0.414SS*.THydrogen-bonded Turntrans-65.6-13.7-179.467.1-171.2-6.900114.4
75F86.8Confident88.7Confident174 Ų17484.3 Ų84.376%0.76343%0.432SS*.THydrogen-bonded Turntrans-110.1-12.3-175.6-56.5-63.9000113.4D73D73-F75 PolarHBondContact O-N 3.34Å; D73-F75 WeakPolarHBondContact OD1-CA 3.45Å; D73-F75 WeakPolarHBondContact OD1-CB 3.43Å; D73-F75 PolarHBondContact OD1-N 3.14Å
76G87.8Confident88.5Confident34 Ų3483 Ų8335%0.35143%0.425SS..EExtended strand (participates in β ladder)trans157.2-152.317700000112.5T72 D73T72-G76 CarbonylContact C-O 3.23Å; T72-G76 VanDerWaalsContact CA-O 3.29Å; T72-G76 WeakPolarHBondContact CA-O 3.48Å; T72-G76 WeakPolarHBondContact CG2-O 3.49Å; D73-G76 PolarHBondContact N-O 2.88Å; D73-G76 PolarHBondContact O-N 2.93Å; D73-G76 PolarHBondContact OD1-N 2.91Å
77S86.5Confident88.3Confident74 Ų7491.6 Ų91.652%0.51746%0.458SS..EExtended strand (participates in β ladder)trans-125.5131.8173.6-64.80000109.9R71 T72R71-S77 WeakPolarHBondContact O-CA 3.45Å; T72-S77 PolarHBondContact OG1-OG 3.32Å
78I85.7Confident88.1Confident73 Ų7390.7 Ų90.737%0.37445%0.448SS..EExtended strand (participates in β ladder)trans-112.8118.5178.8-53.3176.7000108.8A70 R71 R80A70-I78 CarbonylContact C-O 3.55Å; A70-I78 VanDerWaalsContact CA-O 3.32Å; A70-I78 WeakPolarHBondContact CA-O 3.39Å; R71-I78 PolarHBondContact N-O 3.37Å; R71-I78 PolarHBondContact O-N 2.8Å; I78-R80 HydrophobicContact CG2-CG 4.42Å; I78-R80 VanDerWaalsContact CG2-NH1 3.3Å
79A90.4Very high88.3Confident67 Ų6791.7 Ų91.755%0.55446%0.456SS*.EExtended strand (participates in β ladder)trans-112.8149.8167.200000109.1A70A70-A79 HydrophobicContact CB-CB 4.16Å
80R91.4Very high88.9Confident78 Ų7889 Ų8929%0.29445%0.452SS..EExtended strand (participates in β ladder)trans-135.9133.3175.9-63.5179.9176.680.31.5109.2F48 H68 I78F48-R80 HydrophobicContact CE1-CB 4.3Å; F48-R80 HydrophobicContact CZ-CB 3.75Å; H68-R80 HydrophobicContact CB-CB 4.26Å; H68-R80 PolarHBondContact N-O 2.84Å; H68-R80 PolarHBondContact O-N 3.1Å; H68-R80 VanDerWaalsContact O-N 3.11Å; I78-R80 HydrophobicContact CG2-CG 4.42Å; I78-R80 VanDerWaalsContact CG2-NH1 3.3Å
81E94.5Very high89.6Confident121 Ų12188.8 Ų88.857%0.56544%0.442SS*.EExtended strand (participates in β ladder)trans-140.9126.6173.5-171.7167.7-169.600109H65 C66 A67 H83H65-E81 IonicContact CD2-OE1 3.8Å; H65-E81 IonicContact CE1-OE1 3.61Å; H65-E81 IonicContact NE2-OE1 2.79Å; H65-E81 PolarHBondContact NE2-OE1 2.87Å; C66-E81 CarbonylContact O-C 3.19Å; C66-E81 VanDerWaalsContact O-CA 3.28Å; C66-E81 WeakPolarHBondContact O-CA 3.44Å; A67-E81 HydrophobicContact CB-CG 4.38Å; E81-H83 VanDerWaalsContact CD-NE2 3.35Å; E81-H83 WeakPolarHBondContact CG-NE2 3.42Å; E81-H83 IonicContact OE1-CD2 2.76Å; E81-H83 IonicContact OE1-CE1 3.69Å; E81-H83 IonicContact OE1-NE2 2.76Å; E81-H83 PolarHBondContact OE1-NE2 2.8Å
82V93Very high90.4Very high17 Ų1781.6 Ų81.610%0.10342%0.415CS..EExtended strand (participates in β ladder)trans-129.3127.5179178.60000108.3W21 P22 L23 H65 C66W21-V82 HydrophobicContact CH2-CG1 3.89Å; W21-V82 HydrophobicContact CZ2-CG1 4.31Å; W21-V82 HydrophobicContact CZ3-CG1 4.04Å; P22-V82 HydrophobicContact CG-CG1 3.58Å; P22-V82 HydrophobicContact CG-CG2 4.12Å; L23-V82 HydrophobicContact CD1-CG2 3.95Å; L23-V82 HydrophobicContact CD2-CG2 4.18Å; L23-V82 HydrophobicContact CG-CG2 4.03Å; H65-V82 WeakPolarHBondContact CA-O 3.43Å; C66-V82 HydrophobicContact CB-CB 4.47Å; C66-V82 PolarHBondContact N-O 2.86Å; C66-V82 PolarHBondContact O-N 2.93Å
83H93.7Very high91.1Very high105 Ų10578.6 Ų78.649%0.48640%0.395SS..EExtended strand (participates in β ladder)trans-118.8127.1174.6-69.3-93.5000108.6I64 H65 E81I64-H83 WeakPolarHBondContact O-CA 3.34Å; H65-H83 AromaticContact CD2-CD2 3.94Å; H65-H83 AromaticContact CD2-CE1 2.99Å; H65-H83 PolarHBondContact CD2-CE1 3.04Å; H65-H83 AromaticContact CD2-CG 3.98Å; H65-H83 AromaticContact CD2-ND1 3.43Å; H65-H83 PolarHBondContact CD2-ND1 3.48Å; H65-H83 AromaticContact CD2-NE2 3.33Å; H65-H83 PolarHBondContact CD2-NE2 3.07Å; H65-H83 VanDerWaalsContact CD2-NE2 3.33Å; H65-H83 AromaticContact CE1-CE1 3.73Å; H65-H83 AromaticContact CG-CE1 3.58Å; H65-H83 AromaticContact CG-ND1 3.83Å; H65-H83 AromaticContact NE2-CE1 3.1Å; H65-H83 PolarHBondContact NE2-CE1 3.21Å; H65-H83 AromaticContact NE2-ND1 3.99Å; H65-H83 AromaticContact NE2-NE2 3.24Å; H65-H83 PolarHBondContact NE2-NE2 2.94Å; E81-H83 VanDerWaalsContact CD-NE2 3.35Å; E81-H83 WeakPolarHBondContact CG-NE2 3.42Å; E81-H83 IonicContact OE1-CD2 2.76Å; E81-H83 IonicContact OE1-CE1 3.69Å; E81-H83 IonicContact OE1-NE2 2.76Å; E81-H83 PolarHBondContact OE1-NE2 2.8Å
84R92.5Very high91.7Very high89 Ų8977.7 Ų77.734%0.33639%0.393SS..EExtended strand (participates in β ladder)trans-141.9141.4170.7-13753.9168.2155.6-3.8112.1D20 W21 I64 Y86D20-R84 PolarHBondContact O-NE 2.85Å; D20-R84 IonicContact OD2-CZ 2.72Å; D20-R84 IonicContact OD2-NE 3.73Å; D20-R84 IonicContact OD2-NH2 3.58Å; D20-R84 PolarHBondContact OD2-NH2 2.65Å; W21-R84 HydrophobicContact CE3-CB 4.05Å; W21-R84 HydrophobicContact CE3-CG 4.44Å; W21-R84 HydrophobicContact CZ3-CB 3.68Å; I64-R84 PolarHBondContact N-O 2.87Å; I64-R84 PolarHBondContact O-N 3.49Å; R84-Y86 HydrophobicContact CB-CD2 4.43Å; R84-Y86 HydrophobicContact CB-CE2 3.76Å; R84-Y86 HydrophobicContact CG-CD2 4.46Å; R84-Y86 HydrophobicContact CG-CE1 3.86Å; R84-Y86 HydrophobicContact CG-CE2 3.7Å; R84-Y86 WeakPolarHBondContact CG-OH 3.4Å
85C92.6Very high92Very high56 Ų5675.8 Ų75.838%0.37839%0.394SS..EExtended strand (participates in β ladder)trans-119.7128175.6-178.40000107.2E61 L62E61-C85 WeakPolarHBondContact CB-SG 3.45Å; E61-C85 PolarHBondContact OE2-SG 2.76Å; E61-C85 VanDerWaalsContact OE2-SG 3.36Å; L62-C85 CarbonylContact O-C 3.52Å; L62-C85 WeakPolarHBondContact O-CA 3.37Å
86Y91.9Very high92.4Very high17 Ų1768.9 Ų68.97%0.06737%0.367CS..EExtended strand (participates in β ladder)trans-127.4131.3177.6-60.4-72.1000110.1W19 D20 W21 L62 I64 R84 L88W19-Y86 HydrophobicContact CB-CD1 4.13Å; W19-Y86 HydrophobicContact CB-CE1 3.53Å; W19-Y86 AromaticContact CD1-CD1 3.9Å; W19-Y86 AromaticContact CD2-CD1 3.36Å; W19-Y86 HydrophobicContact CD2-CD1 3.36Å; W19-Y86 AromaticContact CD2-CD2 3.94Å; W19-Y86 HydrophobicContact CD2-CD2 3.94Å; W19-Y86 AromaticContact CD2-CE1 3.64Å; W19-Y86 HydrophobicContact CD2-CE1 3.64Å; W19-Y86 HydrophobicContact CD2-CE2 4.15Å; W19-Y86 AromaticContact CD2-CG 3.5Å; W19-Y86 HydrophobicContact CD2-CG 3.5Å; W19-Y86 AromaticContact CD2-CZ 4Å; W19-Y86 AromaticContact CE2-CD1 3.72Å; W19-Y86 AromaticContact CE2-CG 3.73Å; W19-Y86 AromaticContact CE3-CD1 3.67Å; W19-Y86 HydrophobicContact CE3-CD1 3.67Å; W19-Y86 AromaticContact CE3-CD2 3.31Å; W19-Y86 HydrophobicContact CE3-CD2 3.31Å; W19-Y86 AromaticContact CE3-CE1 3.85Å; W19-Y86 HydrophobicContact CE3-CE1 3.85Å; W19-Y86 AromaticContact CE3-CE2 3.47Å; W19-Y86 HydrophobicContact CE3-CE2 3.47Å; W19-Y86 VanDerWaalsContact CE3-CE2 3.47Å; W19-Y86 AromaticContact CE3-CG 3.38Å; W19-Y86 HydrophobicContact CE3-CG 3.38Å; W19-Y86 AromaticContact CE3-CZ 3.72Å; W19-Y86 AromaticContact CG-CD1 3.55Å; W19-Y86 HydrophobicContact CG-CD1 3.55Å; W19-Y86 AromaticContact CG-CE1 3.49Å; W19-Y86 HydrophobicContact CG-CE1 3.49Å; W19-Y86 VanDerWaalsContact CG-CE1 3.49Å; W19-Y86 HydrophobicContact CG-CG 4.2Å; W19-Y86 AromaticContact CH2-CD2 3.99Å; W19-Y86 HydrophobicContact CH2-CD2 3.99Å; W19-Y86 AromaticContact CH2-CG 3.76Å; W19-Y86 HydrophobicContact CH2-CG 3.76Å; W19-Y86 VanDerWaalsContact CZ2-CB 3.41Å; W19-Y86 HydrophobicContact CZ2-CD1 4.34Å; W19-Y86 AromaticContact CZ2-CG 3.9Å; W19-Y86 HydrophobicContact CZ2-CG 3.9Å; W19-Y86 HydrophobicContact CZ3-CD1 4.24Å; W19-Y86 AromaticContact CZ3-CD2 3.31Å; W19-Y86 HydrophobicContact CZ3-CD2 3.31Å; W19-Y86 AromaticContact CZ3-CE2 3.89Å; W19-Y86 HydrophobicContact CZ3-CE2 3.89Å; W19-Y86 AromaticContact CZ3-CG 3.49Å; W19-Y86 HydrophobicContact CZ3-CG 3.49Å; W19-Y86 VanDerWaalsContact CZ3-CG 3.49Å; W19-Y86 AromaticContact NE1-CD1 3.98Å; D20-Y86 PolarHBondContact O-OH 2.81Å; W21-Y86 HydrophobicContact CE3-CE2 4.18Å; W21-Y86 HydrophobicContact CZ3-CE2 4.49Å; L62-Y86 WeakPolarHBondContact CB-O 3.39Å; L62-Y86 PolarHBondContact N-O 3.36Å; L62-Y86 PolarHBondContact O-N 2.76Å; I64-Y86 HydrophobicContact CD1-CD2 4.12Å; I64-Y86 HydrophobicContact CD1-CE2 4.12Å; R84-Y86 HydrophobicContact CB-CD2 4.43Å; R84-Y86 HydrophobicContact CB-CE2 3.76Å; R84-Y86 HydrophobicContact CG-CD2 4.46Å; R84-Y86 HydrophobicContact CG-CE1 3.86Å; R84-Y86 HydrophobicContact CG-CE2 3.7Å; R84-Y86 WeakPolarHBondContact CG-OH 3.4Å; Y86-L88 PolarHBondContact O-N 2.89Å
87R91.6Very high92.9Very high179 Ų17969.4 Ų69.468%0.67536%0.361SS*.EExtended strand (participates in β ladder)trans-74.3126.4174.3-163.8171.5-170158.38.6109.9D60D60-R87 IonicContact OD2-CZ 3.95Å; D60-R87 IonicContact OD2-NE 2.74Å; D60-R87 PolarHBondContact OD2-NE 2.79Å; D60-R87 IonicContact OD2-NH2 2.64Å; D60-R87 PolarHBondContact OD2-NH2 2.86Å
88L92.5Very high93.4Very high15 Ų1572.6 Ų72.68%0.07937%0.366CS..PPolyproline II helixtrans-71.9145.2175-70.3179.9000110.8F39 L57 D60 L62 Y86 H90 L97F39-L88 HydrophobicContact CE1-CD2 4.19Å; F39-L88 HydrophobicContact CZ-CD2 4.27Å; L57-L88 HydrophobicContact CD1-CD1 3.55Å; L57-L88 HydrophobicContact CD1-CG 4.42Å; D60-L88 PolarHBondContact O-N 3.24Å; L62-L88 HydrophobicContact CB-CD2 4.09Å; L62-L88 HydrophobicContact CB-CG 4.15Å; L62-L88 HydrophobicContact CD2-CD2 4.26Å; Y86-L88 PolarHBondContact O-N 2.89Å; L88-H90 PolarHBondContact O-N 3.32Å; L88-L97 HydrophobicContact CD1-CD1 3.7Å; L88-L97 HydrophobicContact CD1-CD2 4.16Å; L88-L97 HydrophobicContact CD1-CG 4.42Å
89P92.7Very high93.9Very high32 Ų3272.5 Ų72.521%0.20837%0.372CS..PPolyproline II helixtrans-57.3139.1168.6-20.130.9000110.8F39 D91 I92F39-P89 HydrophobicContact CD2-CG 4.06Å; F39-P89 HydrophobicContact CE2-CG 4.35Å; P89-D91 WeakPolarHBondContact CB-OD1 3.34Å; P89-D91 PolarHBondContact O-N 2.67Å; P89-D91 VanDerWaalsContact O-N 3.09Å; P89-I92 HydrophobicContact CB-CG1 4.03Å; P89-I92 HydrophobicContact CG-CG1 4.19Å; P89-I92 WeakPolarHBondContact O-CB 3.39Å; P89-I92 PolarHBondContact O-N 2.76Å; P89-I92 VanDerWaalsContact O-N 3.13Å
90H93.9Very high94.3Very high165 Ų16576.7 Ų76.776%0.76437%0.374SS*.THydrogen-bonded Turntrans-64-18.6-173.163.8-87.2000113.9L88 K114L88-H90 PolarHBondContact O-N 3.32Å; H90-K114 VanDerWaalsContact O-CE 3.24Å; H90-K114 WeakPolarHBondContact O-CE 3.4Å; H90-K114 PolarHBondContact O-NZ 3.43Å
91D95.3Very high94.6Very high58 Ų5875 Ų7531%0.3137%0.371SS..THydrogen-bonded Turntrans-91.27.1-179.267.2-12.8000113.4P89 K113 K114P89-D91 WeakPolarHBondContact CB-OD1 3.34Å; P89-D91 PolarHBondContact O-N 2.67Å; P89-D91 VanDerWaalsContact O-N 3.09Å; D91-K113 HydrophobicContact CB-CD 4.31Å; D91-K113 CarbonylContact O-C 3.51Å; D91-K113 VanDerWaalsContact O-CA 3.3Å; D91-K113 WeakPolarHBondContact O-CA 3.5Å; D91-K113 IonicContact OD1-NZ 2.88Å; D91-K113 PolarHBondContact OD1-NZ 3.03Å; D91-K113 WeakPolarHBondContact OD2-CD 3.34Å; D91-K113 WeakPolarHBondContact OD2-CE 3.5Å; D91-K113 IonicContact OD2-NZ 2.66Å; D91-K113 PolarHBondContact OD2-NZ 2.79Å; D91-K114 PolarHBondContact O-N 3.43Å
92I94.9Very high94.6Very high4 Ų471.4 Ų71.42%0.02136%0.356CS..BIsolated β-bridgetrans-89.5130.8176.5-63.7-53.7000112F39 P89 P94 A111 K113 K114F39-I92 HydrophobicContact CB-CD1 3.3Å; F39-I92 HydrophobicContact CB-CG1 3.94Å; F39-I92 HydrophobicContact CG-CD1 4.26Å; F39-I92 HydrophobicContact CG-CG1 4.4Å; P89-I92 HydrophobicContact CB-CG1 4.03Å; P89-I92 HydrophobicContact CG-CG1 4.19Å; P89-I92 WeakPolarHBondContact O-CB 3.39Å; P89-I92 PolarHBondContact O-N 2.76Å; P89-I92 VanDerWaalsContact O-N 3.13Å; I92-P94 WeakPolarHBondContact O-CD 3.1Å; I92-A111 HydrophobicContact CG2-CB 3.32Å; I92-K113 HydrophobicContact CD1-CD 3.93Å; I92-K114 WeakPolarHBondContact O-CE 3.49Å
93D95Very high94.7Very high47 Ų4780.2 Ų80.225%0.25140%0.396SS..  trans-73.3109.4170.8177.8-0.1000109.6T95 S96 T112 K114D93-T95 VanDerWaalsContact CG-OG1 3.26Å; D93-T95 PolarHBondContact O-N 2.64Å; D93-T95 WeakPolarHBondContact OD1-CB 3.4Å; D93-T95 PolarHBondContact OD1-N 2.72Å; D93-T95 PolarHBondContact OD1-OG1 2.75Å; D93-T95 PolarHBondContact OD2-OG1 3.17Å; D93-S96 PolarHBondContact O-N 2.78Å; D93-S96 VanDerWaalsContact O-N 3.12Å; D93-S96 PolarHBondContact O-OG 3.5Å; D93-T112 PolarHBondContact N-O 3.5Å; D93-K114 HydrophobicContact CB-CG 4.25Å
94P94.6Very high94.6Very high59 Ų5985.1 Ų85.138%0.38341%0.41SS..G310 helixtrans-65-24.4-176.2-1832.5000113.2L57 I92 S96 L97L57-P94 HydrophobicContact CD2-CB 3.57Å; I92-P94 WeakPolarHBondContact O-CD 3.1Å; P94-S96 PolarHBondContact O-N 2.8Å; P94-L97 HydrophobicContact CB-CD1 4.48Å; P94-L97 WeakPolarHBondContact O-CB 3.06Å; P94-L97 WeakPolarHBondContact O-CD1 3.35Å; P94-L97 PolarHBondContact O-N 2.88Å
95T94.5Very high94.6Very high128 Ų12881.3 Ų81.379%0.78540%0.398SS*.G310 helixtrans-74.2-16.6-179.870.60000112.6D93D93-T95 VanDerWaalsContact CG-OG1 3.26Å; D93-T95 PolarHBondContact O-N 2.64Å; D93-T95 WeakPolarHBondContact OD1-CB 3.4Å; D93-T95 PolarHBondContact OD1-N 2.72Å; D93-T95 PolarHBondContact OD1-OG1 2.75Å; D93-T95 PolarHBondContact OD2-OG1 3.17Å
96S96Very high94.7Very high29 Ų2980.5 Ų80.520%0.20339%0.39CS..G310 helixtrans-90.3-4178.375.20000114D93 P94 K98 A111 T112D93-S96 PolarHBondContact O-N 2.78Å; D93-S96 VanDerWaalsContact O-N 3.12Å; D93-S96 PolarHBondContact O-OG 3.5Å; P94-S96 PolarHBondContact O-N 2.8Å; S96-K98 PolarHBondContact O-N 2.87Å; S96-A111 WeakPolarHBondContact OG-CB 3.26Å; S96-T112 WeakPolarHBondContact CB-OG1 3.12Å; S96-T112 PolarHBondContact OG-N 2.86Å; S96-T112 PolarHBondContact OG-OG1 3.19Å; S96-T112 VanDerWaalsContact OG-OG1 3.11Å
97L96.9Very high94.9Very high45 Ų4579.9 Ų79.924%0.23639%0.388CS..  trans-58.7131.2-179.9-80.8163.3000110.8L57 L88 P94 I109 S110 A111L57-L97 HydrophobicContact CB-CD1 4.41Å; L57-L97 HydrophobicContact CD1-CD1 4.23Å; L57-L97 HydrophobicContact CD2-CD1 3.91Å; L57-L97 HydrophobicContact CG-CD1 4.42Å; L88-L97 HydrophobicContact CD1-CD1 3.7Å; L88-L97 HydrophobicContact CD1-CD2 4.16Å; L88-L97 HydrophobicContact CD1-CG 4.42Å; P94-L97 HydrophobicContact CB-CD1 4.48Å; P94-L97 WeakPolarHBondContact O-CB 3.06Å; P94-L97 WeakPolarHBondContact O-CD1 3.35Å; P94-L97 PolarHBondContact O-N 2.88Å; L97-I109 HydrophobicContact CD2-CG2 4.17Å; L97-S110 WeakPolarHBondContact CA-O 3.45Å; L97-A111 HydrophobicContact CD2-CB 3.79Å; L97-A111 HydrophobicContact CG-CB 4.09Å
98K97.2Very high95.2Very high140 Ų14072.5 Ų72.561%0.60936%0.363SS*.EExtended strand (participates in β ladder)trans-140.3145.2173.663.3-173.6-179.7-177.80110S96 I109 S110S96-K98 PolarHBondContact O-N 2.87Å; K98-I109 WeakPolarHBondContact O-CA 2.9Å; K98-S110 WeakPolarHBondContact CE-OG 3.38Å; K98-S110 WeakPolarHBondContact CG-OG 3.32Å; K98-S110 PolarHBondContact N-O 2.89Å; K98-S110 PolarHBondContact O-N 3.45Å
99S97.1Very high95.4Very high72 Ų7271.9 Ų71.950%0.50336%0.359SS..EExtended strand (participates in β ladder)trans-118.4147.5172.359.60000110.6T108S99-T108 CarbonylContact C-O 3.52Å; S99-T108 VanDerWaalsContact CA-O 3.24Å; S99-T108 WeakPolarHBondContact CA-O 3.28Å
100Y97.8Very high95.6Very high155 Ų15571.1 Ų71.161%0.60836%0.355SS*.EExtended strand (participates in β ladder)trans-146.2124.4175.9176.5-106.1000109.7N102 L107 T108Y100-N102 HydrophobicContact CD1-CB 4.28Å; Y100-N102 HydrophobicContact CE1-CB 3.64Å; Y100-L107 WeakPolarHBondContact O-CA 3.43Å; Y100-T108 PolarHBondContact N-O 3.1Å; Y100-T108 PolarHBondContact O-N 2.89Å
101L97.4Very high95.8Very high43 Ų4363.6 Ų63.623%0.22532%0.321CS..EExtended strand (participates in β ladder)trans-98120.6171.2-178.767.9000109V45 P50 I53 L107V45-L101 HydrophobicContact CG2-CD1 3.48Å; V45-L101 VanDerWaalsContact CG2-CD1 3.48Å; P50-L101 HydrophobicContact CG-CD2 3.96Å; I53-L101 HydrophobicContact CD1-CD1 4.2Å; I53-L101 HydrophobicContact CD1-CD2 3.86Å; L101-L107 HydrophobicContact CD1-CB 4.21Å
102N95.9Very high95.9Very high45 Ų4564.3 Ų64.324%0.24133%0.328CS..  trans-88.8169.7176.277.420.7000112.5Y100 R104 G105 I106Y100-N102 HydrophobicContact CD1-CB 4.28Å; Y100-N102 HydrophobicContact CE1-CB 3.64Å; N102-R104 PolarHBondContact O-N 3.13Å; N102-R104 VanDerWaalsContact O-N 3.13Å; N102-R104 WeakPolarHBondContact OD1-CA 3.34Å; N102-R104 WeakPolarHBondContact OD1-CB 3.42Å; N102-R104 PolarHBondContact OD1-N 2.72Å; N102-G105 PolarHBondContact O-N 3.11Å; N102-G105 PolarHBondContact OD1-N 3.3Å; N102-I106 PolarHBondContact N-O 2.75Å; N102-I106 PolarHBondContact OD1-N 3.08Å
103Q94Very high96Very high202 Ų20266 Ų6694%0.94434%0.335SS*.THydrogen-bonded Turntrans-64.3-16.8-179.2-65.4-179.80.100114.5
104R92.5Very high95.9Very high207 Ų20769.2 Ų69.278%0.78135%0.347SS*.THydrogen-bonded Turntrans-873175.7-62.5179.463.5-171.4-2.2112.1N102 I106N102-R104 PolarHBondContact O-N 3.13Å; N102-R104 VanDerWaalsContact O-N 3.13Å; N102-R104 WeakPolarHBondContact OD1-CA 3.34Å; N102-R104 WeakPolarHBondContact OD1-CB 3.42Å; N102-R104 PolarHBondContact OD1-N 2.72Å; R104-I106 HydrophobicContact CB-CG1 4.46Å
105G93.1Very high95.5Very high9 Ų979.6 Ų79.69%0.09339%0.386CS..SBendtrans74.528.2-17800000113.2V45 N102V45-G105 CarbonylContact C-O 3.51Å; V45-G105 WeakPolarHBondContact CA-O 3.3Å; V45-G105 WeakPolarHBondContact CG2-O 3.34Å; V45-G105 PolarHBondContact N-O 2.8Å; N102-G105 PolarHBondContact O-N 3.11Å; N102-G105 PolarHBondContact OD1-N 3.3Å
106I94.3Very high95.6Very high39 Ų3977.2 Ų77.220%0.237%0.366CS..EExtended strand (participates in β ladder)trans-99.7118.3172.8-53.9172.9000108.1N42 L43 E44 N102 R104N42-I106 HydrophobicContact CB-CG2 3.9Å; L43-I106 CarbonylContact O-C 3.6Å; L43-I106 WeakPolarHBondContact O-CA 3.47Å; E44-I106 HydrophobicContact CG-CG1 4.49Å; N102-I106 PolarHBondContact N-O 2.75Å; N102-I106 PolarHBondContact OD1-N 3.08Å; R104-I106 HydrophobicContact CB-CG1 4.46Å
107L96.3Very high95.6Very high5 Ų579.7 Ų79.73%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-86.6110.3171.117666.4000108.9L43 V45 I53 V55 I64 Y100 L101 I109L43-L107 HydrophobicContact CB-CB 4.35Å; L43-L107 HydrophobicContact CD1-CD2 4.43Å; L43-L107 PolarHBondContact N-O 3.33Å; L43-L107 PolarHBondContact O-N 3.24Å; V45-L107 HydrophobicContact CG2-CB 3.78Å; I53-L107 HydrophobicContact CG2-CD2 3.95Å; V55-L107 HydrophobicContact CG2-CD2 4.12Å; I64-L107 HydrophobicContact CG2-CD2 4.31Å; Y100-L107 WeakPolarHBondContact O-CA 3.43Å; L101-L107 HydrophobicContact CD1-CB 4.21Å; L107-I109 HydrophobicContact CD2-CD1 4.25Å; L107-I109 HydrophobicContact CD2-CG1 4.49Å; L107-I109 HydrophobicContact CG-CD1 4.5Å; L107-I109 HydrophobicContact CG-CG1 4.21Å
108T96.4Very high95.5Very high24 Ų2481.7 Ų81.715%0.14738%0.382CS..EExtended strand (participates in β ladder)trans-92.7127.8172.1-55.20000109.1E40 V41 N42 S99 Y100E40-T108 HydrophobicContact CG-CG2 3.75Å; V41-T108 WeakPolarHBondContact O-CA 3.33Å; N42-T108 WeakPolarHBondContact OD1-CB 3.38Å; N42-T108 WeakPolarHBondContact OD1-CG2 3.48Å; N42-T108 PolarHBondContact OD1-OG1 2.99Å; S99-T108 CarbonylContact C-O 3.52Å; S99-T108 VanDerWaalsContact CA-O 3.24Å; S99-T108 WeakPolarHBondContact CA-O 3.28Å; Y100-T108 PolarHBondContact N-O 3.1Å; Y100-T108 PolarHBondContact O-N 2.89Å
109I97.2Very high95.4Very high2 Ų278.2 Ų78.21%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-117.4127.4169.3-56175000107.5E40 V41 L43 V55 L62 I64 L97 K98 L107E40-I109 CarbonylContact C-O 3.53Å; E40-I109 WeakPolarHBondContact CA-O 3.49Å; V41-I109 HydrophobicContact CG1-CB 3.86Å; V41-I109 PolarHBondContact N-O 2.79Å; V41-I109 PolarHBondContact O-N 3.43Å; L43-I109 HydrophobicContact CD1-CD1 4.38Å; V55-I109 HydrophobicContact CG1-CD1 3.95Å; V55-I109 HydrophobicContact CG2-CD1 4.31Å; L62-I109 HydrophobicContact CD1-CG2 4.37Å; L62-I109 HydrophobicContact CD2-CD1 3.8Å; L62-I109 HydrophobicContact CD2-CG2 3.94Å; L62-I109 HydrophobicContact CG-CD1 4.48Å; I64-I109 HydrophobicContact CD1-CD1 3.52Å; I64-I109 HydrophobicContact CG1-CD1 4.13Å; L97-I109 HydrophobicContact CD2-CG2 4.17Å; K98-I109 WeakPolarHBondContact O-CA 2.9Å; L107-I109 HydrophobicContact CD2-CD1 4.25Å; L107-I109 HydrophobicContact CD2-CG1 4.49Å; L107-I109 HydrophobicContact CG-CD1 4.5Å; L107-I109 HydrophobicContact CG-CG1 4.21Å
110S97.1Very high95.3Very high15 Ų1578.6 Ų78.611%0.10536%0.36CS..EExtended strand (participates in β ladder)trans-142155.8-175.955.80000112.4F39 L97 K98F39-S110 CarbonylContact O-C 3.56Å; F39-S110 WeakPolarHBondContact O-CA 3.28Å; F39-S110 WeakPolarHBondContact O-CB 3.35Å; L97-S110 WeakPolarHBondContact CA-O 3.45Å; K98-S110 WeakPolarHBondContact CE-OG 3.38Å; K98-S110 WeakPolarHBondContact CG-OG 3.32Å; K98-S110 PolarHBondContact N-O 2.89Å; K98-S110 PolarHBondContact O-N 3.45Å
111A97.4Very high95.1Very high8 Ų873.5 Ų73.57%0.06634%0.344CS..EExtended strand (participates in β ladder)trans-156.8158.5177.800000111.4G38 F39 I92 S96 L97G38-A111 WeakPolarHBondContact CA-O 3.29Å; F39-A111 PolarHBondContact N-O 2.92Å; F39-A111 PolarHBondContact O-N 2.87Å; I92-A111 HydrophobicContact CG2-CB 3.32Å; S96-A111 WeakPolarHBondContact OG-CB 3.26Å; L97-A111 HydrophobicContact CD2-CB 3.79Å; L97-A111 HydrophobicContact CG-CB 4.09Å
112T97.3Very high94.9Very high73 Ų7375.7 Ų75.745%0.44835%0.352SS..PPolyproline II helixtrans-90.7162.1174.157.40000111.7D93 S96D93-T112 PolarHBondContact N-O 3.5Å; S96-T112 WeakPolarHBondContact CB-OG1 3.12Å; S96-T112 PolarHBondContact OG-N 2.86Å; S96-T112 PolarHBondContact OG-OG1 3.19Å; S96-T112 VanDerWaalsContact OG-OG1 3.11Å
113K97Very high94.9Very high39 Ų3978.1 Ų78.117%0.1736%0.361CS..BIsolated β-bridgetrans-70.7150.1172-62.3-69.9170.7-179.60111.4N34 D35 D91 I92N34-K113 PolarHBondContact OD1-NZ 2.91Å; D35-K113 WeakPolarHBondContact O-CE 3.46Å; D91-K113 HydrophobicContact CB-CD 4.31Å; D91-K113 CarbonylContact O-C 3.51Å; D91-K113 VanDerWaalsContact O-CA 3.3Å; D91-K113 WeakPolarHBondContact O-CA 3.5Å; D91-K113 IonicContact OD1-NZ 2.88Å; D91-K113 PolarHBondContact OD1-NZ 3.03Å; D91-K113 WeakPolarHBondContact OD2-CD 3.34Å; D91-K113 WeakPolarHBondContact OD2-CE 3.5Å; D91-K113 IonicContact OD2-NZ 2.66Å; D91-K113 PolarHBondContact OD2-NZ 2.79Å; I92-K113 HydrophobicContact CD1-CD 3.93Å
114K94.7Very high94.9Very high114 Ų11467.8 Ų67.850%0.49631%0.313SS..PPolyproline II helixtrans-60.8140166.6-64.8178.8-174.6173.10108.9H90 D91 I92 D93H90-K114 VanDerWaalsContact O-CE 3.24Å; H90-K114 WeakPolarHBondContact O-CE 3.4Å; H90-K114 PolarHBondContact O-NZ 3.43Å; D91-K114 PolarHBondContact O-N 3.43Å; I92-K114 WeakPolarHBondContact O-CE 3.49Å; D93-K114 HydrophobicContact CB-CG 4.25Å
115K86.1Confident95.2Very high278 Ų27855.1 Ų55.1100%1.20927%0.27SS*.  trans-77.90172.4-69.7-175.6-179.7177.70111.5

Retrieved 115 of 115 residues in 116 ms (Link to these results)

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