A0A087XSP5_POEFO Loading...

Dynactin subunit 5

Part of the dynactin complex that activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB (A0A6J2Q9J1), UniProt , Accession A0A087XSP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 182 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
1M38.4Very low52.8Low236 Ų236102.9 Ų102.9100%1.16353%0.533SS*.  0103.50-112.9171-171.800106.9L3M1-L3 PolarHBondContact O-N 3.41Å; M1-L3 VanDerWaalsContact O-N 3.07Å
2E31.4Very low54.8Low199 Ų199100.7 Ų100.793%0.9352%0.518SS*.  trans-66106.4175.6-72.5175.616300107.9S4E2-S4 PolarHBondContact O-N 3.15Å; E2-S4 VanDerWaalsContact O-N 3.11Å
3L46.1Very low56.7Low44 Ų4494.4 Ų94.423%0.2348%0.484CS..  trans-68.8107.6173.5-71.8145.8000107M1 E5 V168 Y172M1-L3 PolarHBondContact O-N 3.41Å; M1-L3 VanDerWaalsContact O-N 3.07Å; L3-E5 PolarHBondContact O-N 3.17Å; L3-V168 HydrophobicContact CD1-CB 4.44Å; L3-V168 HydrophobicContact CD1-CG1 3.95Å; L3-V168 HydrophobicContact CD1-CG2 4.4Å; L3-V168 HydrophobicContact CD2-CG1 4.28Å; L3-Y172 HydrophobicContact CD2-CD2 3.94Å
4S43.3Very low58.7Low92 Ų9293.6 Ų93.664%0.64348%0.48SS*.  trans-51.3131.6172.850.90000110.1E2 I6E2-S4 PolarHBondContact O-N 3.15Å; E2-S4 VanDerWaalsContact O-N 3.11Å; S4-I6 PolarHBondContact O-N 3.12Å; S4-I6 VanDerWaalsContact O-N 3.16Å
5E50.6Low60.1Low147 Ų14794.4 Ų94.469%0.68748%0.481SS*.  trans-62.5114.5176.3-61-179.5150.500109.1L3 L7L3-E5 PolarHBondContact O-N 3.17Å; E5-L7 PolarHBondContact O-N 3.27Å
6I59.6Low61.5Low53 Ų5391.9 Ų91.927%0.27247%0.472SS..  trans-92.793.5175.9-60.3162.8000106.9S4 Y8 M43 Y172 F176S4-I6 PolarHBondContact O-N 3.12Å; S4-I6 VanDerWaalsContact O-N 3.16Å; I6-Y8 PolarHBondContact O-N 3.02Å; I6-M43 HydrophobicContact CD1-CE 3.87Å; I6-Y172 HydrophobicContact CD1-CE2 3.48Å; I6-Y172 VanDerWaalsContact CD1-CE2 3.48Å; I6-Y172 VanDerWaalsContact CD1-CZ 3.45Å; I6-Y172 WeakPolarHBondContact CD1-OH 3.32Å; I6-F176 HydrophobicContact CB-CD2 4.02Å; I6-F176 HydrophobicContact CB-CE2 4.07Å; I6-F176 HydrophobicContact CG2-CD2 4.1Å; I6-F176 HydrophobicContact CG2-CE2 3.62Å
7L55Low62.1Low102 Ų10293.5 Ų93.553%0.53450%0.502SS..  trans-70.7107.7172.1-72.7172000108.2E5 L179E5-L7 PolarHBondContact O-N 3.27Å; L7-L179 HydrophobicContact CB-CD1 3.84Å; L7-L179 HydrophobicContact CB-CD2 3.95Å; L7-L179 HydrophobicContact CB-CG 3.68Å; L7-L179 HydrophobicContact CD1-CD2 4.14Å; L7-L179 HydrophobicContact CD2-CD2 4.06Å; L7-L179 HydrophobicContact CD2-CG 4.18Å; L7-L179 HydrophobicContact CG-CD2 4.28Å; L7-L179 HydrophobicContact CG-CG 4.41Å
8Y64.5Low63Low7 Ų791.7 Ų91.73%0.02750%0.498CS..EExtended strand (participates in β ladder)trans-104.8141.5178.675.5-87.7000110.8I6 K10 Y13 E15 K21 F176 L177 P178 L179I6-Y8 PolarHBondContact O-N 3.02Å; Y8-K10 PolarHBondContact O-N 2.59Å; Y8-Y13 HydrophobicContact CD2-CD1 4.39Å; Y8-Y13 AromaticContact CD2-CD2 3.36Å; Y8-Y13 HydrophobicContact CD2-CD2 3.36Å; Y8-Y13 AromaticContact CD2-CE2 4Å; Y8-Y13 HydrophobicContact CD2-CE2 4Å; Y8-Y13 AromaticContact CD2-CG 3.58Å; Y8-Y13 HydrophobicContact CD2-CG 3.58Å; Y8-Y13 HydrophobicContact CE2-CD2 4.2Å; Y8-Y13 AromaticContact CE2-CG 3.98Å; Y8-Y13 HydrophobicContact CE2-CG 3.98Å; Y8-Y13 HydrophobicContact CG-CD2 4Å; Y8-Y13 HydrophobicContact CG-CE2 4.18Å; Y8-Y13 HydrophobicContact CG-CG 4.39Å; Y8-E15 PolarHBondContact OH-OE1 3.33Å; Y8-K21 HydrophobicContact CE1-CD 4.41Å; Y8-F176 AromaticContact CD1-CD1 3.28Å; Y8-F176 HydrophobicContact CD1-CD1 3.28Å; Y8-F176 HydrophobicContact CD1-CD2 4.39Å; Y8-F176 AromaticContact CD1-CE1 3.12Å; Y8-F176 HydrophobicContact CD1-CE1 3.12Å; Y8-F176 HydrophobicContact CD1-CE2 4.26Å; Y8-F176 AromaticContact CD1-CG 3.94Å; Y8-F176 HydrophobicContact CD1-CG 3.94Å; Y8-F176 AromaticContact CD1-CZ 3.66Å; Y8-F176 HydrophobicContact CD1-CZ 3.66Å; Y8-F176 HydrophobicContact CD2-CE1 4.11Å; Y8-F176 AromaticContact CE1-CD1 3.3Å; Y8-F176 HydrophobicContact CE1-CD1 3.3Å; Y8-F176 AromaticContact CE1-CE1 3.48Å; Y8-F176 HydrophobicContact CE1-CE1 3.48Å; Y8-F176 VanDerWaalsContact CE1-CE1 3.48Å; Y8-F176 HydrophobicContact CE1-CG 4.17Å; Y8-F176 HydrophobicContact CE1-CZ 4.43Å; Y8-F176 WeakPolarHBondContact CE1-O 3.38Å; Y8-F176 HydrophobicContact CE2-CE1 4.39Å; Y8-F176 HydrophobicContact CG-CD1 4.12Å; Y8-F176 AromaticContact CG-CE1 3.47Å; Y8-F176 HydrophobicContact CG-CE1 3.47Å; Y8-F176 VanDerWaalsContact CG-CE1 3.47Å; Y8-F176 AromaticContact CG-CZ 3.75Å; Y8-F176 HydrophobicContact CG-CZ 3.75Å; Y8-L177 WeakPolarHBondContact CD1-O 3.3Å; Y8-L177 WeakPolarHBondContact CE1-O 3.46Å; Y8-P178 HydrophobicContact CE1-CB 4.11Å; Y8-P178 HydrophobicContact CE2-CB 4Å; Y8-P178 CarbonylContact O-C 3.6Å; Y8-P178 WeakPolarHBondContact O-CA 3.45Å; Y8-L179 PolarHBondContact O-N 3.21Å
9N62.5Low63.9Low65 Ų6588.2 Ų88.235%0.34849%0.485SS..EExtended strand (participates in β ladder)trans-72.3122.3175.1-171.9-12.2000109.3A11 E12N9-A11 PolarHBondContact O-N 2.76Å; N9-A11 VanDerWaalsContact O-N 3.12Å; N9-A11 WeakPolarHBondContact OD1-CB 3.46Å; N9-A11 PolarHBondContact OD1-N 3.48Å; N9-E12 HydrophobicContact CB-CB 4.45Å; N9-E12 HydrophobicContact CB-CG 4.15Å; N9-E12 PolarHBondContact O-N 2.96Å
10K64.5Low65Low132 Ų13284 Ų8457%0.57446%0.462SS*.THydrogen-bonded Turntrans-57.7-28.1178.4-166.7177.7-178.1-179.80112.3Y8 E12 Y13 P178Y8-K10 PolarHBondContact O-N 2.59Å; K10-E12 VanDerWaalsContact C-N 3.27Å; K10-E12 PolarHBondContact O-N 3.42Å; K10-Y13 PolarHBondContact O-N 3.12Å; K10-Y13 VanDerWaalsContact O-O 3.07Å; K10-P178 HydrophobicContact CB-CB 4.07Å; K10-P178 HydrophobicContact CG-CB 4.37Å
11A65.4Low66.1Low55 Ų5580.7 Ų80.746%0.45544%0.443SS..THydrogen-bonded Turntrans-67.9-26.6177.100000113.3N9 R24N9-A11 PolarHBondContact O-N 2.76Å; N9-A11 VanDerWaalsContact O-N 3.12Å; N9-A11 WeakPolarHBondContact OD1-CB 3.46Å; N9-A11 PolarHBondContact OD1-N 3.48Å; A11-R24 VanDerWaalsContact O-CD 3.3Å; A11-R24 WeakPolarHBondContact O-CD 3.38Å; A11-R24 PolarHBondContact O-NE 2.76Å; A11-R24 PolarHBondContact O-NH1 3.26Å
12E75.9Confident68.4Low76 Ų7670 Ų7036%0.35539%0.391SS..THydrogen-bonded Turntrans-88.7-13-177.7-68.4-176.7173.100113N9 K10 S23 R24N9-E12 HydrophobicContact CB-CB 4.45Å; N9-E12 HydrophobicContact CB-CG 4.15Å; N9-E12 PolarHBondContact O-N 2.96Å; K10-E12 VanDerWaalsContact C-N 3.27Å; K10-E12 PolarHBondContact O-N 3.42Å; E12-S23 CarbonylContact O-C 3.56Å; E12-S23 WeakPolarHBondContact O-CA 3.46Å; E12-R24 WeakPolarHBondContact O-CB 3.31Å; E12-R24 WeakPolarHBondContact O-CG 3.13Å; E12-R24 PolarHBondContact O-N 3.05Å
13Y80.4Confident71.1Confident19 Ų1960.6 Ų60.68%0.07535%0.347CS..EExtended strand (participates in β ladder)trans-116.6139-176.5-76.3-101.8000111.7Y8 K10 K21 V22 V42 N44 F176Y8-Y13 HydrophobicContact CD2-CD1 4.39Å; Y8-Y13 AromaticContact CD2-CD2 3.36Å; Y8-Y13 HydrophobicContact CD2-CD2 3.36Å; Y8-Y13 AromaticContact CD2-CE2 4Å; Y8-Y13 HydrophobicContact CD2-CE2 4Å; Y8-Y13 AromaticContact CD2-CG 3.58Å; Y8-Y13 HydrophobicContact CD2-CG 3.58Å; Y8-Y13 HydrophobicContact CE2-CD2 4.2Å; Y8-Y13 AromaticContact CE2-CG 3.98Å; Y8-Y13 HydrophobicContact CE2-CG 3.98Å; Y8-Y13 HydrophobicContact CG-CD2 4Å; Y8-Y13 HydrophobicContact CG-CE2 4.18Å; Y8-Y13 HydrophobicContact CG-CG 4.39Å; K10-Y13 PolarHBondContact O-N 3.12Å; K10-Y13 VanDerWaalsContact O-O 3.07Å; Y13-K21 HydrophobicContact CD1-CB 4.34Å; Y13-V22 CarbonylContact C-O 3.59Å; Y13-V22 WeakPolarHBondContact CA-O 3.46Å; Y13-V42 WeakPolarHBondContact CE1-O 3.22Å; Y13-N44 PolarHBondContact OH-OD1 3.07Å; Y13-F176 HydrophobicContact CD1-CE1 4.29Å; Y13-F176 HydrophobicContact CE1-CE1 4.01Å; Y13-F176 AromaticContact CE1-CZ 3.82Å; Y13-F176 HydrophobicContact CE1-CZ 3.82Å; Y13-F176 HydrophobicContact CE2-CZ 4.45Å; Y13-F176 AromaticContact CZ-CZ 3.77Å
14I83.6Confident73Confident84 Ų8466.4 Ų66.443%0.43137%0.366SS..EExtended strand (participates in β ladder)trans-100.3123.4172.6-61.5161.7000107.1V22 R24I14-V22 PolarHBondContact N-O 2.97Å; I14-V22 PolarHBondContact O-N 3.07Å; I14-R24 HydrophobicContact CD1-CG 3.87Å; I14-R24 HydrophobicContact CG1-CG 3.87Å
15E80.8Confident75.1Confident105 Ų10566.6 Ų66.649%0.49136%0.357SS..EExtended strand (participates in β ladder)trans-95124.9170.9-63.9-170.1139.200109.2Y8 N20 K21Y8-E15 PolarHBondContact OH-OE1 3.33Å; E15-N20 WeakPolarHBondContact CA-O 3.47Å; E15-K21 HydrophobicContact CG-CG 4.31Å; E15-K21 WeakPolarHBondContact OE1-CE 3.37Å
16T81.8Confident76.9Confident54 Ų5460.3 Ų60.333%0.33133%0.329SS..PPolyproline II helixtrans-94.1159.9174.955.70000110.6S18 G19 N20T16-S18 PolarHBondContact O-N 3.34Å; T16-S18 PolarHBondContact OG1-OG 2.96Å; T16-G19 WeakPolarHBondContact O-CA 3.23Å; T16-G19 PolarHBondContact O-N 2.82Å; T16-N20 PolarHBondContact N-O 2.81Å; T16-N20 WeakPolarHBondContact OG1-CA 3.34Å; T16-N20 WeakPolarHBondContact OG1-CB 3.43Å; T16-N20 PolarHBondContact OG1-N 2.9Å; T16-N20 VanDerWaalsContact OG1-N 3.13Å; T16-N20 PolarHBondContact OG1-O 2.85Å
17A72.3Confident78.4Confident120 Ų12061.3 Ų61.399%0.99234%0.337SS*.THydrogen-bonded Turntrans-57.6-24.8-179.300000114G19A17-G19 PolarHBondContact O-N 3.38Å
18S77.1Confident80Confident61 Ų6159.6 Ų59.643%0.42733%0.328SS..THydrogen-bonded Turntrans-79.53.317548.90000114T16 N20 G38 K39T16-S18 PolarHBondContact O-N 3.34Å; T16-S18 PolarHBondContact OG1-OG 2.96Å; S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N20 PolarHBondContact OG-ND2 2.64Å; S18-G38 VanDerWaalsContact O-CA 3.23Å; S18-G38 WeakPolarHBondContact O-CA 3.45Å; S18-K39 PolarHBondContact O-N 2.97Å
19G81.7Confident81.1Confident24 Ų2461 Ų6125%0.24734%0.339CS..SBendtrans7619.3-175.700000113.4T16 A17 K39 Y173T16-G19 WeakPolarHBondContact O-CA 3.23Å; T16-G19 PolarHBondContact O-N 2.82Å; A17-G19 PolarHBondContact O-N 3.38Å; G19-K39 WeakPolarHBondContact O-CA 3.4Å; G19-Y173 PolarHBondContact O-OH 2.9Å
20N85.4Confident82.1Confident4 Ų459.4 Ų59.42%0.02134%0.338CS..  trans-82.4134.6174.7-51.3-33.2000109.7E15 T16 S18 L36 N37 G38 K39 T40E15-N20 WeakPolarHBondContact CA-O 3.47Å; T16-N20 PolarHBondContact N-O 2.81Å; T16-N20 WeakPolarHBondContact OG1-CA 3.34Å; T16-N20 WeakPolarHBondContact OG1-CB 3.43Å; T16-N20 PolarHBondContact OG1-N 2.9Å; T16-N20 VanDerWaalsContact OG1-N 3.13Å; T16-N20 PolarHBondContact OG1-O 2.85Å; S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N20 PolarHBondContact OG-ND2 2.64Å; N20-L36 PolarHBondContact ND2-O 3.41Å; N20-N37 PolarHBondContact ND2-O 2.75Å; N20-N37 PolarHBondContact OD1-O 2.97Å; N20-G38 WeakPolarHBondContact OD1-CA 3.43Å; N20-K39 PolarHBondContact OD1-N 3.38Å; N20-T40 CarbonylContact C-O 3.46Å; N20-T40 VanDerWaalsContact CA-O 3.3Å; N20-T40 WeakPolarHBondContact CA-O 3.39Å; N20-T40 WeakPolarHBondContact CB-OG1 3.45Å; N20-T40 PolarHBondContact OD1-N 2.89Å; N20-T40 PolarHBondContact OD1-OG1 2.63Å; N20-T40 VanDerWaalsContact OD1-OG1 3.12Å
21K86.9Confident82.9Confident15 Ų1557.6 Ų57.67%0.06534%0.342CS..EExtended strand (participates in β ladder)trans-105.5111.9176.2-62.7179.4177.81670108.3Y8 Y13 E15 T40 I41 V42 F176Y8-K21 HydrophobicContact CE1-CD 4.41Å; Y13-K21 HydrophobicContact CD1-CB 4.34Å; E15-K21 HydrophobicContact CG-CG 4.31Å; E15-K21 WeakPolarHBondContact OE1-CE 3.37Å; K21-T40 PolarHBondContact N-O 2.87Å; K21-I41 HydrophobicContact CB-CG1 4.48Å; K21-I41 WeakPolarHBondContact O-CA 3.21Å; K21-V42 PolarHBondContact O-N 2.79Å; K21-F176 HydrophobicContact CD-CD1 3.6Å; K21-F176 HydrophobicContact CD-CE1 4.03Å; K21-F176 PolarHBondContact NZ-O 3.38Å
22V88Confident83.9Confident11 Ų1163.9 Ų63.97%0.06736%0.362CS..EExtended strand (participates in β ladder)trans-119.7122.6-175.6178.40000109.3Y13 I14 S26 L28 L36 V42Y13-V22 CarbonylContact C-O 3.59Å; Y13-V22 WeakPolarHBondContact CA-O 3.46Å; I14-V22 PolarHBondContact N-O 2.97Å; I14-V22 PolarHBondContact O-N 3.07Å; V22-S26 WeakPolarHBondContact CG1-OG 3.45Å; V22-L28 HydrophobicContact CG1-CD1 3.7Å; V22-L36 HydrophobicContact CG2-CD1 4.15Å; V22-V42 HydrophobicContact CG2-CG2 4.46Å
23S88.3Confident84.4Confident2 Ų263.2 Ų63.21%0.01436%0.36CS..EExtended strand (participates in β ladder)trans-64140.4173.6176.30000112E12 Q25 S26 V42 N44E12-S23 CarbonylContact O-C 3.56Å; E12-S23 WeakPolarHBondContact O-CA 3.46Å; S23-Q25 PolarHBondContact O-N 3.22Å; S23-Q25 PolarHBondContact OG-N 2.75Å; S23-S26 WeakPolarHBondContact O-CB 3.17Å; S23-S26 PolarHBondContact O-N 3.23Å; S23-S26 VanDerWaalsContact O-N 3.12Å; S23-S26 PolarHBondContact O-OG 2.72Å; S23-V42 PolarHBondContact N-O 3.15Å; S23-N44 WeakPolarHBondContact CB-OD1 3.45Å; S23-N44 PolarHBondContact OG-OD1 3.24Å
24R85.4Confident84.8Confident167 Ų16763.3 Ų63.363%0.6336%0.362SS*.THydrogen-bonded Turntrans-66.3-24.6173.7-70.6-176.5-178.4-169.64.1113.4A11 E12 I14 S26A11-R24 VanDerWaalsContact O-CD 3.3Å; A11-R24 WeakPolarHBondContact O-CD 3.38Å; A11-R24 PolarHBondContact O-NE 2.76Å; A11-R24 PolarHBondContact O-NH1 3.26Å; E12-R24 WeakPolarHBondContact O-CB 3.31Å; E12-R24 WeakPolarHBondContact O-CG 3.13Å; E12-R24 PolarHBondContact O-N 3.05Å; I14-R24 HydrophobicContact CD1-CG 3.87Å; I14-R24 HydrophobicContact CG1-CG 3.87Å; R24-S26 VanDerWaalsContact C-N 3.25Å
25Q87.9Confident85.1Confident96 Ų9662.2 Ų62.245%0.44936%0.359SS..THydrogen-bonded Turntrans-79.5-12.5175.7-68.3176.6-22.200112S23 N44S23-Q25 PolarHBondContact O-N 3.22Å; S23-Q25 PolarHBondContact OG-N 2.75Å; Q25-N44 HydrophobicContact CB-CB 4.47Å; Q25-N44 PolarHBondContact OE1-ND2 3.16Å
26S88.4Confident85.5Confident15 Ų1559.1 Ų59.111%0.10535%0.346CS..  trans-71.7140.6176.274.50000111.3V22 S23 R24 C46V22-S26 WeakPolarHBondContact CG1-OG 3.45Å; S23-S26 WeakPolarHBondContact O-CB 3.17Å; S23-S26 PolarHBondContact O-N 3.23Å; S23-S26 VanDerWaalsContact O-N 3.12Å; S23-S26 PolarHBondContact O-OG 2.72Å; R24-S26 VanDerWaalsContact C-N 3.25Å; S26-C46 CarbonylContact C-O 3.48Å; S26-C46 VanDerWaalsContact CA-O 3.23Å; S26-C46 WeakPolarHBondContact CA-O 3.26Å; S26-C46 WeakPolarHBondContact CB-O 3.42Å
27V90Very high85.7Confident74 Ų7459.5 Ų59.545%0.44835%0.346SS..EExtended strand (participates in β ladder)trans-104107.3179.1-178.60000108.4C46 I47 I48V27-C46 PolarHBondContact N-O 2.88Å; V27-I47 HydrophobicContact CB-CG1 4.45Å; V27-I47 WeakPolarHBondContact O-CA 3.09Å; V27-I48 PolarHBondContact O-N 2.9Å
28L89.2Confident86.2Confident65 Ų6554.8 Ų54.834%0.3431%0.309SS..EExtended strand (participates in β ladder)trans-102.5103174.4-68.3147.5000108.6V22 I34 I48V22-L28 HydrophobicContact CG1-CD1 3.7Å; L28-I34 HydrophobicContact CB-CD1 4.12Å; L28-I34 HydrophobicContact CD2-CD1 3.91Å; L28-I34 HydrophobicContact CD2-CG2 4.34Å; L28-I48 HydrophobicContact CD2-CB 3.96Å; L28-I48 HydrophobicContact CD2-CD1 3.91Å; L28-I48 HydrophobicContact CD2-CG1 4.25Å; L28-I48 HydrophobicContact CD2-CG2 4.44Å
29C87.6Confident86.6Confident37 Ų3756.6 Ų56.625%0.2531%0.309CS..EExtended strand (participates in β ladder)trans-90.2132.1175.2-62.10000110I34 I48 G50 D51C29-I34 VanDerWaalsContact O-CD1 3.26Å; C29-I34 WeakPolarHBondContact O-CD1 3.34Å; C29-I48 PolarHBondContact N-O 3.28Å; C29-G50 CarbonylContact O-C 3.57Å; C29-G50 WeakPolarHBondContact O-CA 3.44Å; C29-G50 PolarHBondContact O-N 3.11Å; C29-D51 HydrophobicContact CB-CB 4.31Å; C29-D51 VanDerWaalsContact CB-OD1 3.25Å; C29-D51 WeakPolarHBondContact CB-OD1 3.5Å; C29-D51 PolarHBondContact O-N 2.95Å
30G84.3Confident87Confident32 Ų3255.6 Ų55.633%0.3330%0.298SS..  trans72.356.7176.300000113.3Q32 N33 I34G30-Q32 PolarHBondContact O-N 2.9Å; G30-Q32 VanDerWaalsContact O-N 3.1Å; G30-N33 PolarHBondContact O-N 3.32Å; G30-I34 PolarHBondContact O-N 3.16Å
31S81.7Confident87.1Confident94 Ų9455.4 Ų55.466%0.65730%0.297SS*.G310 helixtrans-52.1-32-179.754.40000114.5N33 I34S31-N33 PolarHBondContact O-N 3.34Å; S31-I34 PolarHBondContact O-N 3.44Å
32Q85Confident87.3Confident187 Ų18754.7 Ų54.787%0.87429%0.294SS*.G310 helixtrans-62.8-26.8176.2-64.41800.600113.4G30G30-Q32 PolarHBondContact O-N 2.9Å; G30-Q32 VanDerWaalsContact O-N 3.1Å
33N86.8Confident87.3Confident61 Ų6154.8 Ų54.833%0.32629%0.294SS..G310 helixtrans-101.4-2.7-177.1-71-19000112.6G30 S31 G50 N54 V55G30-N33 PolarHBondContact O-N 3.32Å; S31-N33 PolarHBondContact O-N 3.34Å; N33-G50 WeakPolarHBondContact CB-O 3.3Å; N33-G50 PolarHBondContact ND2-O 3.07Å; N33-N54 WeakPolarHBondContact O-CA 3.43Å; N33-N54 PolarHBondContact O-OD1 3.1Å; N33-V55 PolarHBondContact O-N 3.29Å
34I89.8Confident87.3Confident22 Ų2256.1 Ų56.111%0.11330%0.301CS..EExtended strand (participates in β ladder)trans-101.4118.3-179.8-62167.5000108.3L28 C29 G30 S31 L36 I48 V55L28-I34 HydrophobicContact CB-CD1 4.12Å; L28-I34 HydrophobicContact CD2-CD1 3.91Å; L28-I34 HydrophobicContact CD2-CG2 4.34Å; C29-I34 VanDerWaalsContact O-CD1 3.26Å; C29-I34 WeakPolarHBondContact O-CD1 3.34Å; G30-I34 PolarHBondContact O-N 3.16Å; S31-I34 PolarHBondContact O-N 3.44Å; I34-L36 HydrophobicContact CG2-CD2 4.09Å; I34-L36 HydrophobicContact CG2-CG 4.04Å; I34-I48 HydrophobicContact CD1-CB 4.44Å; I34-I48 HydrophobicContact CD1-CG2 3.92Å; I34-I48 HydrophobicContact CG1-CG2 4.26Å; I34-I48 HydrophobicContact CG2-CG2 4.43Å; I34-V55 WeakPolarHBondContact CA-O 3.42Å; I34-V55 HydrophobicContact CG1-CB 4.49Å
35V90Very high87.6Confident60 Ų6052.2 Ų52.236%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-108.8106.1175.3-176.30000108.3V55 R56 V57V35-V55 PolarHBondContact N-O 3.09Å; V35-R56 HydrophobicContact CB-CG 4.27Å; V35-R56 HydrophobicContact CG2-CG 4.48Å; V35-V57 PolarHBondContact O-N 3.28Å
36L88.8Confident87.7Confident41 Ų4147.6 Ų47.622%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-95.6109.7171.1-60.8177.4000108.9N20 V22 I34 V57N20-L36 PolarHBondContact ND2-O 3.41Å; V22-L36 HydrophobicContact CG2-CD1 4.15Å; I34-L36 HydrophobicContact CG2-CD2 4.09Å; I34-L36 HydrophobicContact CG2-CG 4.04Å; L36-V57 HydrophobicContact CD2-CB 3.75Å; L36-V57 HydrophobicContact CD2-CG1 4.33Å; L36-V57 HydrophobicContact CD2-CG2 3.58Å
37N85.2Confident87.8Confident61 Ų6149.9 Ų49.933%0.32628%0.281SS..  trans-68.3158.5168.5-72.4-66.4000110.3N20 T40 V57 R59N20-N37 PolarHBondContact ND2-O 2.75Å; N20-N37 PolarHBondContact OD1-O 2.97Å; N37-T40 WeakPolarHBondContact O-CG2 3.32Å; N37-V57 VanDerWaalsContact CB-O 3.28Å; N37-V57 WeakPolarHBondContact CB-O 3.29Å; N37-V57 PolarHBondContact N-O 2.91Å; N37-V57 PolarHBondContact ND2-O 2.91Å; N37-R59 HydrophobicContact CB-CG 3.65Å
38G83Confident87.9Confident22 Ų2246.4 Ų46.423%0.22726%0.261CS..THydrogen-bonded Turntrans-57.8157.3-171.900000115.5S18 N20 T40 R59 H60S18-G38 VanDerWaalsContact O-CA 3.23Å; S18-G38 WeakPolarHBondContact O-CA 3.45Å; N20-G38 WeakPolarHBondContact OD1-CA 3.43Å; G38-T40 VanDerWaalsContact C-N 3.32Å; G38-T40 PolarHBondContact O-N 3.38Å; G38-R59 WeakPolarHBondContact O-CA 3.43Å; G38-H60 PolarHBondContact O-N 2.92Å
39K86.4Confident87.9Confident99 Ų9948.9 Ų48.943%0.4327%0.265SS..THydrogen-bonded Turntrans61.529.3178.6-56.9171.9177.1179.90115S18 G19 N20 H60 Y173S18-K39 PolarHBondContact O-N 2.97Å; G19-K39 WeakPolarHBondContact O-CA 3.4Å; N20-K39 PolarHBondContact OD1-N 3.38Å; K39-H60 WeakPolarHBondContact CD-NE2 2.91Å; K39-H60 WeakPolarHBondContact O-CA 3.32Å; K39-Y173 HydrophobicContact CB-CD2 4.31Å; K39-Y173 HydrophobicContact CB-CE1 4.49Å; K39-Y173 HydrophobicContact CB-CE2 3.84Å; K39-Y173 HydrophobicContact CG-CE1 4.42Å; K39-Y173 HydrophobicContact CG-CE2 4.49Å; K39-Y173 WeakPolarHBondContact O-CD2 3.36Å; K39-Y173 WeakPolarHBondContact O-CE2 3.39Å
40T88.8Confident87.7Confident2 Ų247.1 Ų47.11%0.01225%0.254CS..  trans-84.8143.8173.658.60000111.8N20 K21 N37 G38 V57 G58 C61N20-T40 CarbonylContact C-O 3.46Å; N20-T40 VanDerWaalsContact CA-O 3.3Å; N20-T40 WeakPolarHBondContact CA-O 3.39Å; N20-T40 WeakPolarHBondContact CB-OG1 3.45Å; N20-T40 PolarHBondContact OD1-N 2.89Å; N20-T40 PolarHBondContact OD1-OG1 2.63Å; N20-T40 VanDerWaalsContact OD1-OG1 3.12Å; K21-T40 PolarHBondContact N-O 2.87Å; N37-T40 WeakPolarHBondContact O-CG2 3.32Å; G38-T40 VanDerWaalsContact C-N 3.32Å; G38-T40 PolarHBondContact O-N 3.38Å; T40-V57 HydrophobicContact CG2-CG1 3.84Å; T40-G58 WeakPolarHBondContact CG2-O 3.36Å; T40-C61 CarbonylContact C-O 3.57Å; T40-C61 VanDerWaalsContact CA-O 3.32Å; T40-C61 WeakPolarHBondContact CA-O 3.37Å; T40-C61 HydrophobicContact CG2-CB 4.1Å
41I88.6Confident87.7Confident0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-113.5122.7173.8-60.3170.8000108.5K21 C61 V62 V63 Y172 Y173 F176K21-I41 HydrophobicContact CB-CG1 4.48Å; K21-I41 WeakPolarHBondContact O-CA 3.21Å; I41-C61 PolarHBondContact N-O 2.85Å; I41-V62 HydrophobicContact CD1-CG2 4.48Å; I41-V63 PolarHBondContact O-N 3.11Å; I41-Y172 HydrophobicContact CD1-CD1 4.24Å; I41-Y172 HydrophobicContact CD1-CE1 4.4Å; I41-Y173 HydrophobicContact CD1-CD2 3.5Å; I41-Y173 HydrophobicContact CD1-CE2 4.23Å; I41-Y173 HydrophobicContact CD1-CG 4.23Å; I41-Y173 HydrophobicContact CG1-CD2 3.71Å; I41-Y173 HydrophobicContact CG1-CE2 4.03Å; I41-F176 HydrophobicContact CD1-CB 3.98Å; I41-F176 HydrophobicContact CD1-CD1 4.22Å; I41-F176 HydrophobicContact CD1-CG 4.02Å; I41-F176 HydrophobicContact CG2-CD1 4.36Å; I41-F176 HydrophobicContact CG2-CE1 4.09Å; I41-F176 HydrophobicContact CG2-CE2 4.35Å; I41-F176 HydrophobicContact CG2-CZ 4.09Å
42V90.1Very high87.6Confident1 Ų149 Ų491%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-115.5116.2173.3-178.10000108.5Y13 K21 V22 S23 C46 I48Y13-V42 WeakPolarHBondContact CE1-O 3.22Å; K21-V42 PolarHBondContact O-N 2.79Å; V22-V42 HydrophobicContact CG2-CG2 4.46Å; S23-V42 PolarHBondContact N-O 3.15Å; V42-C46 HydrophobicContact CG1-CB 3.54Å; V42-I48 HydrophobicContact CG1-CD1 4.45Å; V42-I48 HydrophobicContact CG2-CD1 4.39Å
43M88.6Confident87.5Confident12 Ų1240.6 Ų40.66%0.05921%0.211CC..  trans-78.2177179.4-74.7-164.3169.800113.8I6 C46 V63 K64 S65 Y172 F176I6-M43 HydrophobicContact CD1-CE 3.87Å; M43-C46 WeakPolarHBondContact O-CB 3.18Å; M43-C46 PolarHBondContact O-SG 3.13Å; M43-V63 VanDerWaalsContact CB-O 3.32Å; M43-V63 WeakPolarHBondContact CB-O 3.3Å; M43-V63 WeakPolarHBondContact CG-O 3.35Å; M43-V63 PolarHBondContact N-O 2.92Å; M43-K64 HydrophobicContact CE-CG 4.25Å; M43-K64 WeakPolarHBondContact SD-CA 3.33Å; M43-K64 HydrophobicContact SD-CB 3.87Å; M43-K64 HydrophobicContact SD-CG 3.89Å; M43-S65 VanDerWaalsContact CB-N 3.35Å; M43-S65 WeakPolarHBondContact CB-OG 3.35Å; M43-Y172 WeakPolarHBondContact CE-OH 3.31Å; M43-F176 HydrophobicContact CE-CE2 4.3Å
44N88.8Confident87.4Confident30 Ų3040 Ų4016%0.1621%0.208CC..THydrogen-bonded Turntrans-60150.1179.1-62.50.7000111.8Y13 S23 Q25 C46 S65 R66Y13-N44 PolarHBondContact OH-OD1 3.07Å; S23-N44 WeakPolarHBondContact CB-OD1 3.45Å; S23-N44 PolarHBondContact OG-OD1 3.24Å; Q25-N44 HydrophobicContact CB-CB 4.47Å; Q25-N44 PolarHBondContact OE1-ND2 3.16Å; N44-C46 PolarHBondContact O-N 2.86Å; N44-S65 WeakPolarHBondContact O-CA 3.25Å; N44-S65 VanDerWaalsContact O-CB 3.31Å; N44-S65 WeakPolarHBondContact O-CB 3.13Å; N44-R66 PolarHBondContact O-N 3.17Å
45D89.9Confident87.5Confident85 Ų8539 Ų3946%0.45520%0.202SC..THydrogen-bonded Turntrans55.917.4179.1-52.5-43.1000115.3R66D45-R66 HydrophobicContact CB-CG 4.03Å; D45-R66 WeakPolarHBondContact O-CA 2.86Å
46C90.1Very high87.5Confident0 Ų042 Ų420%021%0.207CC..  trans-73134.3172.2-73.10000110.1S26 V27 V42 M43 N44 K64 S67S26-C46 CarbonylContact C-O 3.48Å; S26-C46 VanDerWaalsContact CA-O 3.23Å; S26-C46 WeakPolarHBondContact CA-O 3.26Å; S26-C46 WeakPolarHBondContact CB-O 3.42Å; V27-C46 PolarHBondContact N-O 2.88Å; V42-C46 HydrophobicContact CG1-CB 3.54Å; M43-C46 WeakPolarHBondContact O-CB 3.18Å; M43-C46 PolarHBondContact O-SG 3.13Å; N44-C46 PolarHBondContact O-N 2.86Å; C46-K64 PolarHBondContact SG-O 2.84Å; C46-S67 WeakPolarHBondContact CA-O 3.11Å
47I92Very high87.6Confident62 Ų6240.1 Ų40.132%0.31820%0.197SC..EExtended strand (participates in β ladder)trans-116112.8178-55.9174.9000107.7V27 R49 S67 V68 I69V27-I47 HydrophobicContact CB-CG1 4.45Å; V27-I47 WeakPolarHBondContact O-CA 3.09Å; I47-R49 HydrophobicContact CG2-CG 3.9Å; I47-S67 PolarHBondContact N-O 2.85Å; I47-V68 HydrophobicContact CD1-CG2 4.43Å; I47-I69 PolarHBondContact O-N 3.12Å
48I91.1Very high87.9Confident2 Ų237.4 Ų37.41%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-113.5111.6175.8-52.5-173.4000108.3V27 L28 C29 I34 V42 V55 I69V27-I48 PolarHBondContact O-N 2.9Å; L28-I48 HydrophobicContact CD2-CB 3.96Å; L28-I48 HydrophobicContact CD2-CD1 3.91Å; L28-I48 HydrophobicContact CD2-CG1 4.25Å; L28-I48 HydrophobicContact CD2-CG2 4.44Å; C29-I48 PolarHBondContact N-O 3.28Å; I34-I48 HydrophobicContact CD1-CB 4.44Å; I34-I48 HydrophobicContact CD1-CG2 3.92Å; I34-I48 HydrophobicContact CG1-CG2 4.26Å; I34-I48 HydrophobicContact CG2-CG2 4.43Å; V42-I48 HydrophobicContact CG1-CD1 4.45Å; V42-I48 HydrophobicContact CG2-CD1 4.39Å; I48-V55 HydrophobicContact CG2-CG1 4.09Å; I48-I69 HydrophobicContact CD1-CD1 4.12Å; I48-I69 HydrophobicContact CG1-CB 4.31Å; I48-I69 HydrophobicContact CG1-CD1 4.05Å; I48-I69 HydrophobicContact CG1-CG1 4.38Å; I48-I69 HydrophobicContact CG2-CB 4.37Å; I48-I69 HydrophobicContact CG2-CG2 4.45Å
49R88.6Confident88.3Confident117 Ų11743.4 Ų43.444%0.44220%0.199SC..EExtended strand (participates in β ladder)trans-98.995.4-177.4-65.4-164.976.5145.32.5111.5I47 D51 I69 P71I47-R49 HydrophobicContact CG2-CG 3.9Å; R49-D51 VanDerWaalsContact CA-OD1 3.3Å; R49-D51 WeakPolarHBondContact CA-OD1 3.35Å; R49-D51 VanDerWaalsContact CB-OD1 3.22Å; R49-D51 WeakPolarHBondContact CB-OD1 3.32Å; R49-D51 IonicContact CZ-OD2 3.85Å; R49-D51 IonicContact NE-OD1 2.77Å; R49-D51 IonicContact NE-OD2 3.89Å; R49-D51 PolarHBondContact NE-OD2 2.84Å; R49-D51 IonicContact NH2-OD2 3.36Å; R49-D51 PolarHBondContact NH2-OD2 2.84Å; R49-I69 PolarHBondContact N-O 3.46Å; R49-P71 WeakPolarHBondContact O-CD 3.14Å; R49-P71 WeakPolarHBondContact O-CG 3.33Å
50G85.3Confident88.4Confident0 Ų040.3 Ų40.30%019%0.186CC..  trans-95.95.4171.700000114.2C29 N33 L52 A53C29-G50 CarbonylContact O-C 3.57Å; C29-G50 WeakPolarHBondContact O-CA 3.44Å; C29-G50 PolarHBondContact O-N 3.11Å; N33-G50 WeakPolarHBondContact CB-O 3.3Å; N33-G50 PolarHBondContact ND2-O 3.07Å; G50-L52 VanDerWaalsContact C-N 3.3Å; G50-L52 PolarHBondContact O-N 2.87Å; G50-A53 CarbonylContact C-O 3.53Å; G50-A53 WeakPolarHBondContact CA-O 3.47Å
51D84.1Confident88.5Confident63 Ų6340.2 Ų40.234%0.33719%0.186SC..SBendtrans-60.4-35-177.832.1-40.8000113.1C29 R49C29-D51 HydrophobicContact CB-CB 4.31Å; C29-D51 VanDerWaalsContact CB-OD1 3.25Å; C29-D51 WeakPolarHBondContact CB-OD1 3.5Å; C29-D51 PolarHBondContact O-N 2.95Å; R49-D51 VanDerWaalsContact CA-OD1 3.3Å; R49-D51 WeakPolarHBondContact CA-OD1 3.35Å; R49-D51 VanDerWaalsContact CB-OD1 3.22Å; R49-D51 WeakPolarHBondContact CB-OD1 3.32Å; R49-D51 IonicContact CZ-OD2 3.85Å; R49-D51 IonicContact NE-OD1 2.77Å; R49-D51 IonicContact NE-OD2 3.89Å; R49-D51 PolarHBondContact NE-OD2 2.84Å; R49-D51 IonicContact NH2-OD2 3.36Å; R49-D51 PolarHBondContact NH2-OD2 2.84Å
52L78.1Confident88.6Confident103 Ų10340.3 Ų40.354%0.53919%0.186SC..SBendtrans-104-27.6-173.8-63.5170.3000114.1G50 F82G50-L52 VanDerWaalsContact C-N 3.3Å; G50-L52 PolarHBondContact O-N 2.87Å; L52-F82 HydrophobicContact CB-CD1 3.88Å; L52-F82 HydrophobicContact CB-CE1 3.76Å; L52-F82 HydrophobicContact CB-CG 4.5Å; L52-F82 HydrophobicContact CB-CZ 4.28Å; L52-F82 HydrophobicContact CD1-CE1 3.91Å; L52-F82 HydrophobicContact CD1-CZ 4.43Å; L52-F82 HydrophobicContact CD2-CE1 4.26Å; L52-F82 HydrophobicContact CD2-CZ 4.06Å; L52-F82 HydrophobicContact CG-CE1 4.19Å; L52-F82 HydrophobicContact CG-CZ 4.49Å
53A83.1Confident88.6Confident10 Ų1040.4 Ų40.48%0.08319%0.187CC..SBendtrans-151.7162.7-178.500000110.9G50 V55 P71 F82G50-A53 CarbonylContact C-O 3.53Å; G50-A53 WeakPolarHBondContact CA-O 3.47Å; A53-V55 PolarHBondContact O-N 2.85Å; A53-P71 HydrophobicContact CB-CB 3.51Å; A53-P71 HydrophobicContact CB-CG 3.87Å; A53-F82 HydrophobicContact CB-CB 3.93Å
54N85.4Confident88.8Confident49 Ų4941.1 Ų41.126%0.26219%0.19SC..  trans-68.9130.3174.9-168.7-21.8000110.6N33 P84 L85N33-N54 WeakPolarHBondContact O-CA 3.43Å; N33-N54 PolarHBondContact O-OD1 3.1Å; N54-P84 HydrophobicContact CB-CB 4.24Å; N54-P84 CarbonylContact O-C 3.55Å; N54-P84 VanDerWaalsContact O-CA 3.23Å; N54-P84 WeakPolarHBondContact O-CA 3.33Å; N54-P84 WeakPolarHBondContact O-CB 3.49Å; N54-L85 PolarHBondContact O-N 2.91Å
55V90.6Very high88.8Confident0 Ų040.7 Ų40.70%019%0.189CC..EExtended strand (participates in β ladder)trans-112.1116.5173.3176.90000108N33 I34 V35 I48 A53 V57 I69 P71 L85N33-V55 PolarHBondContact O-N 3.29Å; I34-V55 WeakPolarHBondContact CA-O 3.42Å; I34-V55 HydrophobicContact CG1-CB 4.49Å; V35-V55 PolarHBondContact N-O 3.09Å; I48-V55 HydrophobicContact CG2-CG1 4.09Å; A53-V55 PolarHBondContact O-N 2.85Å; V55-V57 HydrophobicContact CG1-CG2 4.23Å; V55-I69 HydrophobicContact CG1-CG2 4.21Å; V55-P71 HydrophobicContact CG2-CG 3.78Å; V55-L85 HydrophobicContact CG1-CD2 4.04Å; V55-L85 HydrophobicContact CG2-CB 4.35Å; V55-L85 HydrophobicContact CG2-CD2 4.48Å
56R90.9Very high88.9Confident122 Ų12241.6 Ų41.646%0.4619%0.186SC..EExtended strand (participates in β ladder)trans-108121.2175.9-61.2-168-176.3176.5-2.6109.8V35 L85 I87V35-R56 HydrophobicContact CB-CG 4.27Å; V35-R56 HydrophobicContact CG2-CG 4.48Å; R56-L85 PolarHBondContact N-O 2.84Å; R56-I87 WeakPolarHBondContact O-CB 3.47Å; R56-I87 PolarHBondContact O-N 3.08Å
57V91.5Very high89Confident3 Ų341.6 Ų41.62%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-106.3126.1174.4-173.30000109V35 L36 N37 T40 V55 C61 I87V35-V57 PolarHBondContact O-N 3.28Å; L36-V57 HydrophobicContact CD2-CB 3.75Å; L36-V57 HydrophobicContact CD2-CG1 4.33Å; L36-V57 HydrophobicContact CD2-CG2 3.58Å; N37-V57 VanDerWaalsContact CB-O 3.28Å; N37-V57 WeakPolarHBondContact CB-O 3.29Å; N37-V57 PolarHBondContact N-O 2.91Å; N37-V57 PolarHBondContact ND2-O 2.91Å; T40-V57 HydrophobicContact CG2-CG1 3.84Å; V55-V57 HydrophobicContact CG1-CG2 4.23Å; V57-C61 HydrophobicContact CG1-CB 3.68Å; V57-I87 HydrophobicContact CG1-CG2 4.5Å; V57-I87 HydrophobicContact CG2-CD1 4.12Å
58G90.8Very high89Confident3 Ų340.6 Ų40.63%0.03118%0.183CC..  trans-70.6-177.7177.100000113.7T40 C61 I87 G88 D89T40-G58 WeakPolarHBondContact CG2-O 3.36Å; G58-C61 PolarHBondContact O-SG 3.14Å; G58-I87 PolarHBondContact N-O 3.02Å; G58-G88 VanDerWaalsContact CA-O 3.29Å; G58-G88 WeakPolarHBondContact CA-O 3.49Å; G58-G88 PolarHBondContact N-O 3.24Å; G58-D89 WeakPolarHBondContact CA-OD1 3.35Å
59R90.8Very high89Confident148 Ų14840.5 Ų40.556%0.55818%0.183SC*.THydrogen-bonded Turntrans-77.9149.3-177.2-62.9173.5-178.6177.50.7110.8N37 G38 C61 D89 H90N37-R59 HydrophobicContact CB-CG 3.65Å; G38-R59 WeakPolarHBondContact O-CA 3.43Å; R59-C61 PolarHBondContact O-N 2.77Å; R59-C61 VanDerWaalsContact O-N 3.17Å; R59-D89 WeakPolarHBondContact CB-OD1 3.09Å; R59-D89 PolarHBondContact N-OD1 2.73Å; R59-H90 PolarHBondContact O-N 2.77Å
60H89.4Confident88.9Confident34 Ų3439.6 Ų39.616%0.15718%0.179CC..THydrogen-bonded Turntrans54.631.5178.5-50.694.8000113.4G38 K39 H90 T169G38-H60 PolarHBondContact O-N 2.92Å; K39-H60 WeakPolarHBondContact CD-NE2 2.91Å; K39-H60 WeakPolarHBondContact O-CA 3.32Å; H60-H90 AromaticContact CG-CE1 3.54Å; H60-H90 AromaticContact ND1-CE1 3.46Å; H60-H90 PolarHBondContact ND1-CE1 2.71Å; H60-H90 AromaticContact ND1-NE2 3.58Å; H60-T169 HydrophobicContact CB-CG2 4.44Å; H60-T169 WeakPolarHBondContact O-CG2 3.13Å
61C90.2Very high88.9Confident1 Ų140.2 Ų40.21%0.00718%0.183CC..  trans-80.6142174.1-60.40000110.4T40 I41 V57 G58 R59 G88 V91T40-C61 CarbonylContact C-O 3.57Å; T40-C61 VanDerWaalsContact CA-O 3.32Å; T40-C61 WeakPolarHBondContact CA-O 3.37Å; T40-C61 HydrophobicContact CG2-CB 4.1Å; I41-C61 PolarHBondContact N-O 2.85Å; V57-C61 HydrophobicContact CG1-CB 3.68Å; G58-C61 PolarHBondContact O-SG 3.14Å; R59-C61 PolarHBondContact O-N 2.77Å; R59-C61 VanDerWaalsContact O-N 3.17Å; C61-G88 PolarHBondContact SG-O 2.91Å; C61-V91 VanDerWaalsContact CA-O 3.31Å; C61-V91 WeakPolarHBondContact CA-O 2.95Å
62V90.4Very high88.7Confident2 Ų237.5 Ų37.51%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-116.9118.3174.8179.80000107.8I41 V91 F92 I93 T169 Y172I41-V62 HydrophobicContact CD1-CG2 4.48Å; V62-V91 PolarHBondContact N-O 2.9Å; V62-F92 HydrophobicContact CB-CD2 3.76Å; V62-F92 HydrophobicContact CB-CE2 4.05Å; V62-F92 HydrophobicContact CG1-CD2 4.09Å; V62-F92 HydrophobicContact CG1-CE2 3.89Å; V62-F92 HydrophobicContact CG2-CD2 4.16Å; V62-F92 HydrophobicContact CG2-CE2 4.39Å; V62-I93 PolarHBondContact O-N 2.82Å; V62-T169 HydrophobicContact CG2-CG2 4.02Å; V62-Y172 HydrophobicContact CB-CE1 4.45Å; V62-Y172 HydrophobicContact CG1-CD1 3.95Å; V62-Y172 HydrophobicContact CG1-CE1 3.43Å; V62-Y172 VanDerWaalsContact CG1-CE1 3.43Å; V62-Y172 HydrophobicContact CG2-CD1 3.81Å; V62-Y172 HydrophobicContact CG2-CE1 4.15Å
63V91.7Very high88.5Confident3 Ų336.1 Ų36.12%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-110.2110.8174.8-1720000108I41 M43 S67 I69 I93I41-V63 PolarHBondContact O-N 3.11Å; M43-V63 VanDerWaalsContact CB-O 3.32Å; M43-V63 WeakPolarHBondContact CB-O 3.3Å; M43-V63 WeakPolarHBondContact CG-O 3.35Å; M43-V63 PolarHBondContact N-O 2.92Å; V63-S67 VanDerWaalsContact CG1-CB 3.5Å; V63-I69 HydrophobicContact CG1-CD1 4.32Å; V63-I69 HydrophobicContact CG2-CD1 4.44Å; V63-I93 HydrophobicContact CG2-CD1 4.21Å
64K91.3Very high87.7Confident26 Ų2638.8 Ų38.811%0.11317%0.169CC..  trans-77.4167.1177.8-72.8-162.2-169.8169.60112.9M43 C46 S67 I93 E94 E95M43-K64 HydrophobicContact CE-CG 4.25Å; M43-K64 WeakPolarHBondContact SD-CA 3.33Å; M43-K64 HydrophobicContact SD-CB 3.87Å; M43-K64 HydrophobicContact SD-CG 3.89Å; C46-K64 PolarHBondContact SG-O 2.84Å; K64-S67 VanDerWaalsContact O-CB 3.32Å; K64-S67 WeakPolarHBondContact O-CB 3.47Å; K64-S67 PolarHBondContact O-N 2.86Å; K64-S67 PolarHBondContact O-OG 3.38Å; K64-I93 VanDerWaalsContact CB-O 3.29Å; K64-I93 WeakPolarHBondContact CB-O 3.43Å; K64-I93 WeakPolarHBondContact CG-O 3.49Å; K64-I93 PolarHBondContact N-O 3.46Å; K64-E94 HydrophobicContact CD-CB 4.39Å; K64-E94 HydrophobicContact CD-CG 4.49Å; K64-E94 IonicContact NZ-OE1 2.75Å; K64-E94 PolarHBondContact NZ-OE1 3.11Å; K64-E95 HydrophobicContact CB-CG 3.78Å; K64-E95 HydrophobicContact CD-CG 3.79Å; K64-E95 HydrophobicContact CG-CG 4.44Å
65S90.4Very high86.7Confident22 Ų2244.3 Ų44.315%0.15419%0.19CC..THydrogen-bonded Turntrans-56.5151.4-172-52.60000113.5M43 N44 S67 E95 D96M43-S65 VanDerWaalsContact CB-N 3.35Å; M43-S65 WeakPolarHBondContact CB-OG 3.35Å; N44-S65 WeakPolarHBondContact O-CA 3.25Å; N44-S65 VanDerWaalsContact O-CB 3.31Å; N44-S65 WeakPolarHBondContact O-CB 3.13Å; S65-S67 PolarHBondContact O-N 2.83Å; S65-S67 VanDerWaalsContact O-N 3.11Å; S65-E95 WeakPolarHBondContact O-CA 3.41Å; S65-D96 PolarHBondContact O-N 3.49Å
66R90.8Very high85.6Confident103 Ų10350.6 Ų50.639%0.38922%0.218SC..THydrogen-bonded Turntrans60.415.7179-55.5-179-62.7-80.1-6.4114.7N44 D45 E95 D96N44-R66 PolarHBondContact O-N 3.17Å; D45-R66 HydrophobicContact CB-CG 4.03Å; D45-R66 WeakPolarHBondContact O-CA 2.86Å; R66-E95 IonicContact CZ-OE2 2.97Å; R66-E95 IonicContact NH2-OE2 3.72Å; R66-E95 PolarHBondContact NH2-OE2 2.93Å; R66-D96 VanDerWaalsContact CB-OD1 3.32Å; R66-D96 WeakPolarHBondContact CB-OD1 3.46Å; R66-D96 WeakPolarHBondContact CD-OD1 3.24Å; R66-D96 IonicContact CZ-OD1 3.16Å; R66-D96 IonicContact CZ-OD2 3.63Å; R66-D96 VanDerWaalsContact NE-CG 3.31Å; R66-D96 IonicContact NE-OD1 2.72Å; R66-D96 PolarHBondContact NE-OD1 3.42Å; R66-D96 IonicContact NE-OD2 3.38Å; R66-D96 PolarHBondContact NE-OD2 2.84Å; R66-D96 VanDerWaalsContact NE-OD2 3.16Å; R66-D96 IonicContact NH2-OD1 2.9Å; R66-D96 IonicContact NH2-OD2 3.61Å; R66-D96 PolarHBondContact NH2-OD2 2.79Å
67S91.9Very high84.2Confident0 Ų050.9 Ų50.90%024%0.238CC..  trans-71.7130.1173.3-66.60000110.9C46 I47 V63 K64 S65 E94 C97C46-S67 WeakPolarHBondContact CA-O 3.11Å; I47-S67 PolarHBondContact N-O 2.85Å; V63-S67 VanDerWaalsContact CG1-CB 3.5Å; K64-S67 VanDerWaalsContact O-CB 3.32Å; K64-S67 WeakPolarHBondContact O-CB 3.47Å; K64-S67 PolarHBondContact O-N 2.86Å; K64-S67 PolarHBondContact O-OG 3.38Å; S65-S67 PolarHBondContact O-N 2.83Å; S65-S67 VanDerWaalsContact O-N 3.11Å; S67-E94 PolarHBondContact OG-O 2.97Å; S67-C97 CarbonylContact C-O 3.53Å; S67-C97 WeakPolarHBondContact CA-O 3.19Å
68V92.5Very high83.1Confident42 Ų4260.6 Ų60.626%0.25528%0.281SS..EExtended strand (participates in β ladder)trans-109.7107.9177.5-177.40000109.3I47 C97 V99I47-V68 HydrophobicContact CD1-CG2 4.43Å; V68-C97 PolarHBondContact N-O 2.98Å; V68-V99 PolarHBondContact O-N 2.98Å
69I91.6Very high82Confident0 Ų062.4 Ų62.40%030%0.299CS..EExtended strand (participates in β ladder)trans-98.5110.5176.1-55.5-173000108.3I47 I48 R49 V55 V63 L85 I87 V99I47-I69 PolarHBondContact O-N 3.12Å; I48-I69 HydrophobicContact CD1-CD1 4.12Å; I48-I69 HydrophobicContact CG1-CB 4.31Å; I48-I69 HydrophobicContact CG1-CD1 4.05Å; I48-I69 HydrophobicContact CG1-CG1 4.38Å; I48-I69 HydrophobicContact CG2-CB 4.37Å; I48-I69 HydrophobicContact CG2-CG2 4.45Å; R49-I69 PolarHBondContact N-O 3.46Å; V55-I69 HydrophobicContact CG1-CG2 4.21Å; V63-I69 HydrophobicContact CG1-CD1 4.32Å; V63-I69 HydrophobicContact CG2-CD1 4.44Å; I69-L85 HydrophobicContact CG2-CD2 3.1Å; I69-I87 HydrophobicContact CD1-CD1 4.18Å; I69-V99 HydrophobicContact CG1-CB 4.44Å
70R87.2Confident80.9Confident97 Ų9758.8 Ų58.837%0.36629%0.293SS..  trans-126.2127.9177.159.4178.3171.6162.5-0.6111.2V99 N100R70-V99 PolarHBondContact N-O 2.99Å; R70-V99 VanDerWaalsContact O-O 3.05Å; R70-N100 WeakPolarHBondContact CD-OD1 3.15Å; R70-N100 HydrophobicContact CG-CB 4.5Å; R70-N100 WeakPolarHBondContact CG-OD1 3.11Å; R70-N100 PolarHBondContact NE-ND2 3.47Å; R70-N100 VanDerWaalsContact NE-ND2 3.11Å; R70-N100 PolarHBondContact NE-OD1 2.92Å; R70-N100 PolarHBondContact NH2-ND2 2.99Å; R70-N100 PolarHBondContact NH2-OD1 2.88Å; R70-N100 WeakPolarHBondContact O-CA 3.24Å
71P84.2Confident79.9Confident14 Ų1459.2 Ų59.29%0.09130%0.302CS..  trans-61.2140.7174.9-23.731.2000112R49 A53 V55R49-P71 WeakPolarHBondContact O-CD 3.14Å; R49-P71 WeakPolarHBondContact O-CG 3.33Å; A53-P71 HydrophobicContact CB-CB 3.51Å; A53-P71 HydrophobicContact CB-CG 3.87Å; V55-P71 HydrophobicContact CG2-CG 3.78Å
72P79.1Confident78.9Confident6 Ų663 Ų634%0.03932%0.319CS..  trans-71.5133.5174.526.5-30.9000111.2F83 N100 A101 A102P72-F83 HydrophobicContact CG-CB 4.24Å; P72-F83 PolarHBondContact O-N 3.45Å; P72-N100 WeakPolarHBondContact CB-O 3.23Å; P72-A101 VanDerWaalsContact CD-O 3.29Å; P72-A101 WeakPolarHBondContact CD-O 3.32Å; P72-A101 WeakPolarHBondContact CG-O 3.31Å; P72-A102 HydrophobicContact CG-CB 4.41Å
73F75.8Confident78.2Confident74 Ų7466.9 Ų66.933%0.32534%0.336SS..EExtended strand (participates in β ladder)trans-107.3139170.165.5-90000110.1K75 V80 F82F73-K75 HydrophobicContact CD2-CG 4.18Å; F73-K75 HydrophobicContact CE2-CG 4.23Å; F73-V80 HydrophobicContact CB-CG1 3.91Å; F73-V80 HydrophobicContact CD2-CG1 4.43Å; F73-F82 HydrophobicContact CB-CD1 3.66Å; F73-F82 HydrophobicContact CB-CE1 3.49Å; F73-F82 VanDerWaalsContact CB-CE1 3.49Å; F73-F82 HydrophobicContact CB-CZ 4.41Å
74K65.3Low77.9Confident66 Ų6669.1 Ų69.129%0.28735%0.351SS..EExtended strand (participates in β ladder)trans-109.3119.3168.2-172.5-177.9-167.6161.90108.2F76 V80 A81 F83K74-F76 HydrophobicContact CD-CD2 4.01Å; K74-F76 HydrophobicContact CD-CE2 4.35Å; K74-F76 PolarHBondContact O-N 2.98Å; K74-V80 CarbonylContact O-C 3.38Å; K74-V80 WeakPolarHBondContact O-CA 3.43Å; K74-A81 PolarHBondContact N-O 2.83Å; K74-A81 PolarHBondContact O-N 2.87Å; K74-F83 HydrophobicContact CB-CE2 3.97Å; K74-F83 HydrophobicContact CD-CE2 4.37Å
75K64.5Low77.8Confident164 Ų16467.9 Ų67.971%0.71335%0.345SS*.EExtended strand (participates in β ladder)trans-76.3111.9166-64.3-174.5178-176.50107.6F73 V80F73-K75 HydrophobicContact CD2-CG 4.18Å; F73-K75 HydrophobicContact CE2-CG 4.23Å; K75-V80 HydrophobicContact CG-CG2 4.44Å
76F67.8Low77.8Confident132 Ų13269.9 Ų69.958%0.57935%0.352SS*.EExtended strand (participates in β ladder)trans-95154.9166-133.2-95.1000108.9K74 K78 G79K74-F76 HydrophobicContact CD-CD2 4.01Å; K74-F76 HydrophobicContact CD-CE2 4.35Å; K74-F76 PolarHBondContact O-N 2.98Å; F76-K78 PolarHBondContact O-N 3.2Å; F76-G79 CarbonylContact C-O 3.42Å; F76-G79 VanDerWaalsContact CA-O 3.24Å; F76-G79 WeakPolarHBondContact CA-O 3.36Å; F76-G79 WeakPolarHBondContact CB-O 3.42Å; F76-G79 PolarHBondContact N-O 2.83Å; F76-G79 PolarHBondContact O-N 3.37Å; F76-G79 VanDerWaalsContact O-N 3.09Å
77S60.7Low77.9Confident128 Ų12865.5 Ų65.590%0.89534%0.336SS*.THydrogen-bonded Turntrans-56.7-24.2-179.3-174.10000113.5
78K69.4Low77.9Confident208 Ų20866.2 Ų66.290%0.90434%0.344SS*.THydrogen-bonded Turntrans-1126.7178.2-64-173.6179.1-178.20115F76F76-K78 PolarHBondContact O-N 3.2Å
79G67.1Low77.9Confident41 Ų4167.1 Ų67.142%0.42335%0.347SS..EExtended strand (participates in β ladder)trans162.4171.8-179.100000114.5F76F76-G79 CarbonylContact C-O 3.42Å; F76-G79 VanDerWaalsContact CA-O 3.24Å; F76-G79 WeakPolarHBondContact CA-O 3.36Å; F76-G79 WeakPolarHBondContact CB-O 3.42Å; F76-G79 PolarHBondContact N-O 2.83Å; F76-G79 PolarHBondContact O-N 3.37Å; F76-G79 VanDerWaalsContact O-N 3.09Å
80V67.2Low77.9Confident72 Ų7268 Ų6844%0.43635%0.351SS..EExtended strand (participates in β ladder)trans-100.9116.7177.2-171.50000109.3F73 K74 K75 F82F73-V80 HydrophobicContact CB-CG1 3.91Å; F73-V80 HydrophobicContact CD2-CG1 4.43Å; K74-V80 CarbonylContact O-C 3.38Å; K74-V80 WeakPolarHBondContact O-CA 3.43Å; K75-V80 HydrophobicContact CG-CG2 4.44Å; V80-F82 HydrophobicContact CB-CE2 4.11Å; V80-F82 HydrophobicContact CB-CZ 4.27Å; V80-F82 HydrophobicContact CG1-CD2 4.38Å; V80-F82 HydrophobicContact CG1-CE1 4.04Å; V80-F82 HydrophobicContact CG1-CE2 3.81Å; V80-F82 HydrophobicContact CG1-CZ 3.62Å
81A69.3Low78.2Confident42 Ų4263.3 Ų63.335%0.34733%0.333SS..EExtended strand (participates in β ladder)trans-93.4121.8172.900000109.1K74 F83K74-A81 PolarHBondContact N-O 2.83Å; K74-A81 PolarHBondContact O-N 2.87Å; A81-F83 HydrophobicContact CB-CE2 4.5Å
82F68.8Low78.5Confident82 Ų8263 Ų6336%0.3633%0.331SS..EExtended strand (participates in β ladder)trans-94.8128.3173.9-64.4-82.4000108.9L52 A53 F73 V80L52-F82 HydrophobicContact CB-CD1 3.88Å; L52-F82 HydrophobicContact CB-CE1 3.76Å; L52-F82 HydrophobicContact CB-CG 4.5Å; L52-F82 HydrophobicContact CB-CZ 4.28Å; L52-F82 HydrophobicContact CD1-CE1 3.91Å; L52-F82 HydrophobicContact CD1-CZ 4.43Å; L52-F82 HydrophobicContact CD2-CE1 4.26Å; L52-F82 HydrophobicContact CD2-CZ 4.06Å; L52-F82 HydrophobicContact CG-CE1 4.19Å; L52-F82 HydrophobicContact CG-CZ 4.49Å; A53-F82 HydrophobicContact CB-CB 3.93Å; F73-F82 HydrophobicContact CB-CD1 3.66Å; F73-F82 HydrophobicContact CB-CE1 3.49Å; F73-F82 VanDerWaalsContact CB-CE1 3.49Å; F73-F82 HydrophobicContact CB-CZ 4.41Å; V80-F82 HydrophobicContact CB-CE2 4.11Å; V80-F82 HydrophobicContact CB-CZ 4.27Å; V80-F82 HydrophobicContact CG1-CD2 4.38Å; V80-F82 HydrophobicContact CG1-CE1 4.04Å; V80-F82 HydrophobicContact CG1-CE2 3.81Å; V80-F82 HydrophobicContact CG1-CZ 3.62Å
83F76.9Confident79.2Confident82 Ų8262.8 Ų62.836%0.3633%0.329SS..PPolyproline II helixtrans-94.9135.9171.7-68-90.7000108.2P72 K74 A81P72-F83 HydrophobicContact CG-CB 4.24Å; P72-F83 PolarHBondContact O-N 3.45Å; K74-F83 HydrophobicContact CB-CE2 3.97Å; K74-F83 HydrophobicContact CD-CE2 4.37Å; A81-F83 HydrophobicContact CB-CE2 4.5Å
84P84.3Confident80Confident51 Ų5160.2 Ų60.233%0.33132%0.318SS..PPolyproline II helixtrans-60.5143.4171.228-34.4000109.4N54 H86N54-P84 HydrophobicContact CB-CB 4.24Å; N54-P84 CarbonylContact O-C 3.55Å; N54-P84 VanDerWaalsContact O-CA 3.23Å; N54-P84 WeakPolarHBondContact O-CA 3.33Å; N54-P84 WeakPolarHBondContact O-CB 3.49Å; P84-H86 VanDerWaalsContact CG-NE2 3.35Å; P84-H86 WeakPolarHBondContact CG-NE2 3.49Å
85L88.9Confident81.3Confident0 Ų060.1 Ų60.10%032%0.318CS..EExtended strand (participates in β ladder)trans-88.2123.9170.9171.968.3000108.2N54 V55 R56 I69 I87 V99 A101N54-L85 PolarHBondContact O-N 2.91Å; V55-L85 HydrophobicContact CG1-CD2 4.04Å; V55-L85 HydrophobicContact CG2-CB 4.35Å; V55-L85 HydrophobicContact CG2-CD2 4.48Å; R56-L85 PolarHBondContact N-O 2.84Å; I69-L85 HydrophobicContact CG2-CD2 3.1Å; L85-I87 HydrophobicContact CD1-CG1 4.49Å; L85-I87 HydrophobicContact CD2-CD1 4.11Å; L85-I87 HydrophobicContact CD2-CG1 4.46Å; L85-I87 HydrophobicContact CG-CD1 4.45Å; L85-I87 HydrophobicContact CG-CG1 4.31Å; L85-V99 HydrophobicContact CD1-CG1 4.17Å; L85-V99 HydrophobicContact CD2-CG1 4.21Å; L85-A101 HydrophobicContact CD1-CB 4.39Å; L85-A101 WeakPolarHBondContact CD1-O 3.35Å
86H90.8Very high82.6Confident64 Ų6454.9 Ų54.930%0.29630%0.299SS..EExtended strand (participates in β ladder)trans-110.1123.8174.3-66.6-75.6000110.2P84 A102 Q103 I104P84-H86 VanDerWaalsContact CG-NE2 3.35Å; P84-H86 WeakPolarHBondContact CG-NE2 3.49Å; H86-A102 PolarHBondContact N-O 3.46Å; H86-A102 VanDerWaalsContact N-O 3.15Å; H86-Q103 HydrophobicContact CB-CG 4.29Å; H86-Q103 CarbonylContact O-C 3.54Å; H86-Q103 WeakPolarHBondContact O-CA 3.17Å; H86-I104 PolarHBondContact O-N 3.01Å
87I93.1Very high83.8Confident11 Ų1148.6 Ų48.66%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-113.8126.4170.9-64161.2000107.5R56 V57 G58 I69 L85 V91 I104R56-I87 WeakPolarHBondContact O-CB 3.47Å; R56-I87 PolarHBondContact O-N 3.08Å; V57-I87 HydrophobicContact CG1-CG2 4.5Å; V57-I87 HydrophobicContact CG2-CD1 4.12Å; G58-I87 PolarHBondContact N-O 3.02Å; I69-I87 HydrophobicContact CD1-CD1 4.18Å; L85-I87 HydrophobicContact CD1-CG1 4.49Å; L85-I87 HydrophobicContact CD2-CD1 4.11Å; L85-I87 HydrophobicContact CD2-CG1 4.46Å; L85-I87 HydrophobicContact CG-CD1 4.45Å; L85-I87 HydrophobicContact CG-CG1 4.31Å; I87-V91 HydrophobicContact CG2-CB 3.81Å; I87-V91 HydrophobicContact CG2-CG1 4.03Å; I87-V91 HydrophobicContact CG2-CG2 3.73Å; I87-I104 HydrophobicContact CG1-CB 4.47Å; I87-I104 HydrophobicContact CG1-CD1 3.95Å
88G92.6Very high85.4Confident15 Ų1544.2 Ų44.216%0.15524%0.238CC..  trans-70.8-170.4179.300000113.9G58 C61 V91 I104G58-G88 VanDerWaalsContact CA-O 3.29Å; G58-G88 WeakPolarHBondContact CA-O 3.49Å; G58-G88 PolarHBondContact N-O 3.24Å; C61-G88 PolarHBondContact SG-O 2.91Å; G88-V91 WeakPolarHBondContact O-CG2 3.38Å; G88-I104 PolarHBondContact N-O 2.84Å
89D92.4Very high86.5Confident60 Ų6034.3 Ų34.332%0.32120%0.195SC..THydrogen-bonded Turntrans-85.6152179-61.1-49.4000111.1G58 R59 V91 S106 Y107G58-D89 WeakPolarHBondContact CA-OD1 3.35Å; R59-D89 WeakPolarHBondContact CB-OD1 3.09Å; R59-D89 PolarHBondContact N-OD1 2.73Å; D89-V91 PolarHBondContact O-N 3.01Å; D89-S106 PolarHBondContact N-OG 2.75Å; D89-S106 VanDerWaalsContact N-OG 3.12Å; D89-S106 CarbonylContact O-C 3.55Å; D89-S106 VanDerWaalsContact O-CA 3.29Å; D89-S106 WeakPolarHBondContact O-CA 3.4Å; D89-Y107 PolarHBondContact O-N 3.2Å
90H91.4Very high87.4Confident18 Ų1832.7 Ų32.78%0.08318%0.177CC..THydrogen-bonded Turntrans55.537.8178-62.4-82.5000113.6R59 H60 Y107R59-H90 PolarHBondContact O-N 2.77Å; H60-H90 AromaticContact CG-CE1 3.54Å; H60-H90 AromaticContact ND1-CE1 3.46Å; H60-H90 PolarHBondContact ND1-CE1 2.71Å; H60-H90 AromaticContact ND1-NE2 3.58Å; H90-Y107 HydrophobicContact CB-CD1 3.57Å; H90-Y107 HydrophobicContact CB-CE1 3.85Å; H90-Y107 AromaticContact CD2-CE1 3.54Å; H90-Y107 AromaticContact CG-CE1 3.86Å
91V92.1Very high88Confident0 Ų029.3 Ų29.30%016%0.156CC..  trans-84.4133.9175.7178.20000109.6C61 V62 I87 G88 D89 I93 I104 G105 V108 I110C61-V91 VanDerWaalsContact CA-O 3.31Å; C61-V91 WeakPolarHBondContact CA-O 2.95Å; V62-V91 PolarHBondContact N-O 2.9Å; I87-V91 HydrophobicContact CG2-CB 3.81Å; I87-V91 HydrophobicContact CG2-CG1 4.03Å; I87-V91 HydrophobicContact CG2-CG2 3.73Å; G88-V91 WeakPolarHBondContact O-CG2 3.38Å; D89-V91 PolarHBondContact O-N 3.01Å; V91-I93 HydrophobicContact CG1-CD1 4.35Å; V91-I93 HydrophobicContact CG1-CG1 3.83Å; V91-I104 HydrophobicContact CG1-CG2 4.06Å; V91-I104 HydrophobicContact CG2-CG2 4.03Å; V91-G105 WeakPolarHBondContact CG2-O 3.25Å; V91-V108 WeakPolarHBondContact CA-O 3.29Å; V91-V108 HydrophobicContact CG2-CB 4.47Å; V91-I110 HydrophobicContact CG1-CD1 4.42Å
92F91.6Very high88.6Confident8 Ų828 Ų284%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-114.8113176.6-164.3-98.7000109.2V62 E94 V108 H109 I110 M165V62-F92 HydrophobicContact CB-CD2 3.76Å; V62-F92 HydrophobicContact CB-CE2 4.05Å; V62-F92 HydrophobicContact CG1-CD2 4.09Å; V62-F92 HydrophobicContact CG1-CE2 3.89Å; V62-F92 HydrophobicContact CG2-CD2 4.16Å; V62-F92 HydrophobicContact CG2-CE2 4.39Å; F92-E94 HydrophobicContact CD1-CG 3.87Å; F92-E94 HydrophobicContact CE1-CG 3.65Å; F92-V108 PolarHBondContact N-O 2.87Å; F92-H109 AromaticContact CD1-CD2 3.75Å; F92-H109 AromaticContact CD1-NE2 3.78Å; F92-I110 PolarHBondContact O-N 3.22Å; F92-M165 HydrophobicContact CB-CE 3.07Å; F92-M165 HydrophobicContact CD1-CE 4.08Å; F92-M165 HydrophobicContact CD2-CE 4.07Å; F92-M165 HydrophobicContact CG-CE 3.52Å
93I93.2Very high89.6Confident1 Ų128.8 Ų28.81%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-107.8117.9178.4-49.5-175000107.7V62 V63 K64 V91 C97 V99 I110V62-I93 PolarHBondContact O-N 2.82Å; V63-I93 HydrophobicContact CG2-CD1 4.21Å; K64-I93 VanDerWaalsContact CB-O 3.29Å; K64-I93 WeakPolarHBondContact CB-O 3.43Å; K64-I93 WeakPolarHBondContact CG-O 3.49Å; K64-I93 PolarHBondContact N-O 3.46Å; V91-I93 HydrophobicContact CG1-CD1 4.35Å; V91-I93 HydrophobicContact CG1-CG1 3.83Å; I93-C97 HydrophobicContact CG2-CB 3.52Å; I93-V99 HydrophobicContact CD1-CG2 4.28Å; I93-V99 HydrophobicContact CG2-CG2 4.46Å; I93-I110 HydrophobicContact CD1-CD1 4.28Å; I93-I110 HydrophobicContact CG1-CD1 3.87Å
94E93.1Very high90.4Very high19 Ų1925 Ų259%0.08913%0.134CC..  trans-80-178.3177.5-68.6-147.6109.900113.8K64 S67 F92 C97 I110 K112K64-E94 HydrophobicContact CD-CB 4.39Å; K64-E94 HydrophobicContact CD-CG 4.49Å; K64-E94 IonicContact NZ-OE1 2.75Å; K64-E94 PolarHBondContact NZ-OE1 3.11Å; S67-E94 PolarHBondContact OG-O 2.97Å; F92-E94 HydrophobicContact CD1-CG 3.87Å; F92-E94 HydrophobicContact CE1-CG 3.65Å; E94-C97 VanDerWaalsContact C-SG 3.6Å; E94-C97 PolarHBondContact O-SG 3.33Å; E94-I110 VanDerWaalsContact CB-O 3.26Å; E94-I110 WeakPolarHBondContact CB-O 3.28Å; E94-I110 VanDerWaalsContact CG-O 3.24Å; E94-I110 WeakPolarHBondContact CG-O 3.36Å; E94-I110 PolarHBondContact N-O 3.21Å; E94-K112 HydrophobicContact CB-CB 4.47Å; E94-K112 HydrophobicContact CB-CG 3.87Å; E94-K112 HydrophobicContact CG-CG 4.44Å; E94-K112 WeakPolarHBondContact OE2-CG 3.35Å; E94-K112 PolarHBondContact OE2-N 2.88Å
95E92.1Very high90.9Very high64 Ų6422.9 Ų22.930%0.29912%0.121SC..THydrogen-bonded Turntrans-66.7151.9-174-67.8173.2-137.900111.8K64 S65 R66 C97 N113K64-E95 HydrophobicContact CB-CG 3.78Å; K64-E95 HydrophobicContact CD-CG 3.79Å; K64-E95 HydrophobicContact CG-CG 4.44Å; S65-E95 WeakPolarHBondContact O-CA 3.41Å; R66-E95 IonicContact CZ-OE2 2.97Å; R66-E95 IonicContact NH2-OE2 3.72Å; R66-E95 PolarHBondContact NH2-OE2 2.93Å; E95-C97 PolarHBondContact O-N 3.44Å; E95-C97 VanDerWaalsContact O-N 3.09Å; E95-N113 PolarHBondContact O-N 3.43Å
96D92.4Very high91Very high55 Ų5524 Ų2429%0.29413%0.129SC..THydrogen-bonded Turntrans57.325.9174.8-62-64.7000114.2S65 R66S65-D96 PolarHBondContact O-N 3.49Å; R66-D96 VanDerWaalsContact CB-OD1 3.32Å; R66-D96 WeakPolarHBondContact CB-OD1 3.46Å; R66-D96 WeakPolarHBondContact CD-OD1 3.24Å; R66-D96 IonicContact CZ-OD1 3.16Å; R66-D96 IonicContact CZ-OD2 3.63Å; R66-D96 VanDerWaalsContact NE-CG 3.31Å; R66-D96 IonicContact NE-OD1 2.72Å; R66-D96 PolarHBondContact NE-OD1 3.42Å; R66-D96 IonicContact NE-OD2 3.38Å; R66-D96 PolarHBondContact NE-OD2 2.84Å; R66-D96 VanDerWaalsContact NE-OD2 3.16Å; R66-D96 IonicContact NH2-OD1 2.9Å; R66-D96 IonicContact NH2-OD2 3.61Å; R66-D96 PolarHBondContact NH2-OD2 2.79Å
97C93.1Very high91.1Very high0 Ų023.8 Ų23.80%013%0.126CC..  trans-81.3136.5178.8-71.50000112S67 V68 I93 E94 E95 I110 G111 C114S67-C97 CarbonylContact C-O 3.53Å; S67-C97 WeakPolarHBondContact CA-O 3.19Å; V68-C97 PolarHBondContact N-O 2.98Å; I93-C97 HydrophobicContact CG2-CB 3.52Å; E94-C97 VanDerWaalsContact C-SG 3.6Å; E94-C97 PolarHBondContact O-SG 3.33Å; E95-C97 PolarHBondContact O-N 3.44Å; E95-C97 VanDerWaalsContact O-N 3.09Å; C97-I110 HydrophobicContact CB-CG2 4.41Å; C97-G111 PolarHBondContact SG-O 2.84Å; C97-C114 WeakPolarHBondContact CA-O 3.26Å
98V93.2Very high91Very high35 Ų3523.3 Ų23.321%0.21212%0.123CC..EExtended strand (participates in β ladder)trans-110.6109.9174.1-179.40000109.1N100 C114 V115 I116V98-N100 WeakPolarHBondContact CG1-OD1 3.35Å; V98-C114 PolarHBondContact N-O 3.26Å; V98-V115 HydrophobicContact CB-CG1 4.43Å; V98-I116 PolarHBondContact O-N 3.45Å
99V92.3Very high91Very high0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-104.3109.9-175178.30000110.1V68 I69 R70 L85 I93 I104 I116V68-V99 PolarHBondContact O-N 2.98Å; I69-V99 HydrophobicContact CG1-CB 4.44Å; R70-V99 PolarHBondContact N-O 2.99Å; R70-V99 VanDerWaalsContact O-O 3.05Å; L85-V99 HydrophobicContact CD1-CG1 4.17Å; L85-V99 HydrophobicContact CD2-CG1 4.21Å; I93-V99 HydrophobicContact CD1-CG2 4.28Å; I93-V99 HydrophobicContact CG2-CG2 4.46Å; V99-I104 HydrophobicContact CG1-CD1 3.54Å; V99-I116 HydrophobicContact CG1-CD1 4.35Å; V99-I116 HydrophobicContact CG2-CD1 4.08Å
100N87.3Confident91Very high8 Ų821.4 Ų21.44%0.04311%0.109CC..  trans-121.313.8172.7-50.14.8000113.4R70 P72 V98 I116 G117 R119R70-N100 WeakPolarHBondContact CD-OD1 3.15Å; R70-N100 HydrophobicContact CG-CB 4.5Å; R70-N100 WeakPolarHBondContact CG-OD1 3.11Å; R70-N100 PolarHBondContact NE-ND2 3.47Å; R70-N100 VanDerWaalsContact NE-ND2 3.11Å; R70-N100 PolarHBondContact NE-OD1 2.92Å; R70-N100 PolarHBondContact NH2-ND2 2.99Å; R70-N100 PolarHBondContact NH2-OD1 2.88Å; R70-N100 WeakPolarHBondContact O-CA 3.24Å; P72-N100 WeakPolarHBondContact CB-O 3.23Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.35Å; N100-I116 WeakPolarHBondContact CB-O 3.31Å; N100-G117 CarbonylContact C-O 3.59Å; N100-R119 PolarHBondContact O-N 2.82Å
101A79.9Confident91.1Very high0 Ų020.6 Ų20.60%011%0.105CC..  trans-59.5157.2-17800000111.1P72 L85 I104 I116 C120 L122P72-A101 VanDerWaalsContact CD-O 3.29Å; P72-A101 WeakPolarHBondContact CD-O 3.32Å; P72-A101 WeakPolarHBondContact CG-O 3.31Å; L85-A101 HydrophobicContact CD1-CB 4.39Å; L85-A101 WeakPolarHBondContact CD1-O 3.35Å; A101-I104 HydrophobicContact CB-CD1 4.27Å; A101-I104 HydrophobicContact CB-CG1 3.86Å; A101-I116 HydrophobicContact CB-CG2 3.57Å; A101-C120 WeakPolarHBondContact CA-O 3.17Å; A101-C120 HydrophobicContact CB-CB 4.34Å; A101-C120 WeakPolarHBondContact CB-O 3.24Å; A101-L122 HydrophobicContact CB-CD1 3.95Å
102A81.4Confident91.2Very high15 Ų1524.7 Ų24.712%0.12412%0.123CC..SBendtrans-80.1-39.716500000110.1P72 H86 R119 C120P72-A102 HydrophobicContact CG-CB 4.41Å; H86-A102 PolarHBondContact N-O 3.46Å; H86-A102 VanDerWaalsContact N-O 3.15Å; A102-R119 HydrophobicContact CB-CG 4.06Å; A102-C120 PolarHBondContact N-O 3.25Å
103Q90.4Very high91.2Very high99 Ų9927.9 Ų27.946%0.46314%0.14SC..EExtended strand (participates in β ladder)trans-146.6131.2-176.1-174.5174.28.900110.1H86 C120 V121 L122H86-Q103 HydrophobicContact CB-CG 4.29Å; H86-Q103 CarbonylContact O-C 3.54Å; H86-Q103 WeakPolarHBondContact O-CA 3.17Å; Q103-C120 PolarHBondContact N-O 2.98Å; Q103-V121 HydrophobicContact CB-CG1 4.5Å; Q103-L122 PolarHBondContact O-N 3.07Å
104I94Very high91.2Very high3 Ų327.9 Ų27.92%0.01514%0.14CC..EExtended strand (participates in β ladder)trans-113.4123.7168.5-63.9163.5000106.7H86 I87 G88 V91 V99 A101 V108 I110 I116 L122H86-I104 PolarHBondContact O-N 3.01Å; I87-I104 HydrophobicContact CG1-CB 4.47Å; I87-I104 HydrophobicContact CG1-CD1 3.95Å; G88-I104 PolarHBondContact N-O 2.84Å; V91-I104 HydrophobicContact CG1-CG2 4.06Å; V91-I104 HydrophobicContact CG2-CG2 4.03Å; V99-I104 HydrophobicContact CG1-CD1 3.54Å; A101-I104 HydrophobicContact CB-CD1 4.27Å; A101-I104 HydrophobicContact CB-CG1 3.86Å; I104-V108 HydrophobicContact CG2-CB 3.9Å; I104-V108 HydrophobicContact CG2-CG1 4.09Å; I104-V108 HydrophobicContact CG2-CG2 3.96Å; I104-I110 HydrophobicContact CD1-CD1 4.08Å; I104-I116 HydrophobicContact CD1-CD1 4.31Å; I104-L122 HydrophobicContact CG1-CD1 4.17Å; I104-L122 HydrophobicContact CG1-CD2 4.48Å
105G92.9Very high91.2Very high5 Ų529.5 Ų29.55%0.05215%0.151CC..  trans-66.7-177.5176.800000113.1V91 V108 L122 D124V91-G105 WeakPolarHBondContact CG2-O 3.25Å; G105-V108 WeakPolarHBondContact O-CG2 3.39Å; G105-L122 PolarHBondContact N-O 3.22Å; G105-D124 WeakPolarHBondContact CA-OD1 3.46Å
106S92.3Very high91.3Very high24 Ų2426.5 Ų26.517%0.16814%0.137CC..THydrogen-bonded Turntrans-83.2153.1175.5-64.50000111D89 V108 D124 C125D89-S106 PolarHBondContact N-OG 2.75Å; D89-S106 VanDerWaalsContact N-OG 3.12Å; D89-S106 CarbonylContact O-C 3.55Å; D89-S106 VanDerWaalsContact O-CA 3.29Å; D89-S106 WeakPolarHBondContact O-CA 3.4Å; S106-V108 PolarHBondContact O-N 3.33Å; S106-D124 PolarHBondContact N-OD1 3.05Å; S106-D124 WeakPolarHBondContact O-CA 3.23Å; S106-C125 PolarHBondContact O-N 3.09Å
107Y91.5Very high91.2Very high60 Ų6024.3 Ų24.324%0.23513%0.128CC..THydrogen-bonded Turntrans61.630.1177.2-40.1-72.2000114D89 H90 Q162 I166D89-Y107 PolarHBondContact O-N 3.2Å; H90-Y107 HydrophobicContact CB-CD1 3.57Å; H90-Y107 HydrophobicContact CB-CE1 3.85Å; H90-Y107 AromaticContact CD2-CE1 3.54Å; H90-Y107 AromaticContact CG-CE1 3.86Å; Y107-Q162 HydrophobicContact CD1-CG 4.12Å; Y107-Q162 HydrophobicContact CD2-CG 3.87Å; Y107-Q162 HydrophobicContact CE2-CG 4.43Å; Y107-Q162 HydrophobicContact CG-CG 3.69Å; Y107-I166 HydrophobicContact CD1-CD1 3.63Å; Y107-I166 HydrophobicContact CD1-CG1 3.35Å; Y107-I166 HydrophobicContact CE1-CD1 3.28Å; Y107-I166 HydrophobicContact CE1-CG1 3.38Å; Y107-I166 HydrophobicContact CG-CG1 4.5Å
108V92.1Very high90.9Very high0 Ų030.4 Ų30.40%015%0.151CC..  trans-86.7132.7179.6178.20000110.1V91 F92 I104 G105 S106 I110 L122 K123 C126V91-V108 WeakPolarHBondContact CA-O 3.29Å; V91-V108 HydrophobicContact CG2-CB 4.47Å; F92-V108 PolarHBondContact N-O 2.87Å; I104-V108 HydrophobicContact CG2-CB 3.9Å; I104-V108 HydrophobicContact CG2-CG1 4.09Å; I104-V108 HydrophobicContact CG2-CG2 3.96Å; G105-V108 WeakPolarHBondContact O-CG2 3.39Å; S106-V108 PolarHBondContact O-N 3.33Å; V108-I110 HydrophobicContact CG1-CG1 3.95Å; V108-L122 HydrophobicContact CG1-CD2 3.89Å; V108-K123 WeakPolarHBondContact CG2-O 3.46Å; V108-C126 WeakPolarHBondContact CA-O 3.32Å; V108-C126 HydrophobicContact CG1-CB 4.33Å; V108-C126 HydrophobicContact CG2-CB 4.26Å
109H92.1Very high90.5Very high36 Ų3632.1 Ų32.117%0.16715%0.153CC..EExtended strand (participates in β ladder)trans-105.7114.2171179.7-72.7000109.6F92 C126 K127 I128 M165F92-H109 AromaticContact CD1-CD2 3.75Å; F92-H109 AromaticContact CD1-NE2 3.78Å; H109-C126 PolarHBondContact N-O 2.83Å; H109-K127 HydrophobicContact CB-CG 4.22Å; H109-I128 PolarHBondContact O-N 3.14Å; H109-M165 HydrophobicContact CB-CE 4.11Å; H109-M165 HydrophobicContact CB-SD 4.27Å
110I93.4Very high90.4Very high0 Ų032.1 Ų32.10%015%0.153CC..EExtended strand (participates in β ladder)trans-101.1112.5176.4-54.6172.5000108.2V91 F92 I93 E94 C97 I104 V108 C114 I116 I128V91-I110 HydrophobicContact CG1-CD1 4.42Å; F92-I110 PolarHBondContact O-N 3.22Å; I93-I110 HydrophobicContact CD1-CD1 4.28Å; I93-I110 HydrophobicContact CG1-CD1 3.87Å; E94-I110 VanDerWaalsContact CB-O 3.26Å; E94-I110 WeakPolarHBondContact CB-O 3.28Å; E94-I110 VanDerWaalsContact CG-O 3.24Å; E94-I110 WeakPolarHBondContact CG-O 3.36Å; E94-I110 PolarHBondContact N-O 3.21Å; C97-I110 HydrophobicContact CB-CG2 4.41Å; I104-I110 HydrophobicContact CD1-CD1 4.08Å; V108-I110 HydrophobicContact CG1-CG1 3.95Å; I110-C114 HydrophobicContact CG2-CB 3.72Å; I110-I116 HydrophobicContact CD1-CD1 3.74Å; I110-I116 HydrophobicContact CG1-CD1 4.44Å; I110-I116 HydrophobicContact CG2-CD1 4.44Å; I110-I128 HydrophobicContact CB-CD1 4.36Å; I110-I128 HydrophobicContact CG1-CD1 3.88Å; I110-I128 HydrophobicContact CG2-CD1 4.23Å
111G92.4Very high90.7Very high0 Ų033.2 Ų33.20%016%0.16CC..  trans-68.2169.1178.800000114.1C97 C114 I128 D130C97-G111 PolarHBondContact SG-O 2.84Å; G111-C114 WeakPolarHBondContact O-CB 3.48Å; G111-I128 WeakPolarHBondContact CA-O 3Å; G111-I128 PolarHBondContact N-O 3.15Å; G111-D130 VanDerWaalsContact CA-OD1 3.25Å; G111-D130 WeakPolarHBondContact CA-OD1 3.09Å
112K94Very high91.3Very high87 Ų8733.2 Ų33.238%0.37816%0.16SC..THydrogen-bonded Turntrans-61.1147.8-175.2-53.1-174.8-176.5173.30112E94 C114 D130 N131E94-K112 HydrophobicContact CB-CB 4.47Å; E94-K112 HydrophobicContact CB-CG 3.87Å; E94-K112 HydrophobicContact CG-CG 4.44Å; E94-K112 WeakPolarHBondContact OE2-CG 3.35Å; E94-K112 PolarHBondContact OE2-N 2.88Å; K112-C114 PolarHBondContact O-N 2.94Å; K112-D130 HydrophobicContact CB-CB 4.41Å; K112-D130 PolarHBondContact N-OD1 3.17Å; K112-D130 CarbonylContact O-C 3.54Å; K112-D130 WeakPolarHBondContact O-CA 3.42Å; K112-N131 PolarHBondContact O-N 3.31Å
113N92.3Very high91.9Very high75 Ų7537 Ų3740%0.40117%0.174SC..THydrogen-bonded Turntrans55.126.2174.3-61.359000112.7E95 N131E95-N113 PolarHBondContact O-N 3.43Å; N113-N131 WeakPolarHBondContact CB-OD1 3.4Å
114C93.1Very high92Very high0 Ų036 Ų360%017%0.172CC..  trans-79137.1179.5174.40000110.3C97 V98 I110 G111 K112 I128 T132C97-C114 WeakPolarHBondContact CA-O 3.26Å; V98-C114 PolarHBondContact N-O 3.26Å; I110-C114 HydrophobicContact CG2-CB 3.72Å; G111-C114 WeakPolarHBondContact O-CB 3.48Å; K112-C114 PolarHBondContact O-N 2.94Å; C114-I128 HydrophobicContact CB-CG2 4.38Å; C114-I128 WeakPolarHBondContact SG-CG2 3.46Å; C114-T132 CarbonylContact C-O 3.56Å; C114-T132 WeakPolarHBondContact CA-O 3.09Å; C114-T132 PolarHBondContact SG-OG1 2.85Å
115V93.6Very high91.8Very high54 Ų5436.3 Ų36.333%0.32717%0.174SC..BIsolated β-bridgetrans-112.7112.9174.3-177.90000109.3V98 T132 V133 L134V98-V115 HydrophobicContact CB-CG1 4.43Å; V115-T132 PolarHBondContact N-O 3.46Å; V115-V133 HydrophobicContact CB-CG1 4.24Å; V115-V133 HydrophobicContact CB-CG2 4.17Å; V115-V133 HydrophobicContact CG2-CG2 4.39Å; V115-V133 CarbonylContact O-C 3.57Å; V115-V133 WeakPolarHBondContact O-CA 3.44Å; V115-L134 PolarHBondContact O-N 3.2Å
116I93.1Very high91.7Very high1 Ų136.1 Ų36.11%0.00517%0.172CC..PPolyproline II helixtrans-89123.9177.3-55.1-177.8000109.8V98 V99 N100 A101 I104 I110 C120 L122 I128 L134V98-I116 PolarHBondContact O-N 3.45Å; V99-I116 HydrophobicContact CG1-CD1 4.35Å; V99-I116 HydrophobicContact CG2-CD1 4.08Å; N100-I116 WeakPolarHBondContact CB-O 3.31Å; A101-I116 HydrophobicContact CB-CG2 3.57Å; I104-I116 HydrophobicContact CD1-CD1 4.31Å; I110-I116 HydrophobicContact CD1-CD1 3.74Å; I110-I116 HydrophobicContact CG1-CD1 4.44Å; I110-I116 HydrophobicContact CG2-CD1 4.44Å; I116-C120 HydrophobicContact CG2-CB 3.61Å; I116-L122 HydrophobicContact CD1-CD2 4.45Å; I116-L122 HydrophobicContact CG2-CD1 4.14Å; I116-I128 HydrophobicContact CD1-CD1 4.49Å; I116-L134 HydrophobicContact CG1-CD1 4.47Å; I116-L134 HydrophobicContact CG2-CD1 4.46Å
117G90.3Very high91.7Very high9 Ų938.8 Ų38.89%0.09318%0.181CC..PPolyproline II helixtrans-62.3160.4177.700000114N100 R119 C120 L134N100-G117 CarbonylContact C-O 3.59Å; G117-R119 PolarHBondContact O-N 2.75Å; G117-C120 WeakPolarHBondContact O-CB 3.29Å; G117-C120 PolarHBondContact O-N 3.46Å; G117-L134 WeakPolarHBondContact CA-O 3.31Å; G117-L134 PolarHBondContact N-O 3.25Å
118R87.4Confident91.8Very high128 Ų12836 Ų3648%0.48317%0.17SC..THydrogen-bonded Turntrans-64.2132.9177.2-64.1177.7179.8147.71.5110.1C120 P136 E137R118-C120 PolarHBondContact O-N 3.27Å; R118-P136 HydrophobicContact CB-CB 4.25Å; R118-P136 CarbonylContact O-C 3.6Å; R118-P136 VanDerWaalsContact O-CA 3.28Å; R118-P136 WeakPolarHBondContact O-CA 3.46Å; R118-E137 PolarHBondContact O-N 2.94Å
119R85.8Confident91.8Very high70 Ų7039 Ų3926%0.26419%0.186SC..THydrogen-bonded Turntrans56.627.5-178.6-158.4-170.8-61.5143.829.2113N100 A102 G117 E137N100-R119 PolarHBondContact O-N 2.82Å; A102-R119 HydrophobicContact CB-CG 4.06Å; G117-R119 PolarHBondContact O-N 2.75Å; R119-E137 HydrophobicContact CB-CG 4.33Å; R119-E137 IonicContact CZ-OE1 3.23Å; R119-E137 VanDerWaalsContact CZ-OE1 3.23Å; R119-E137 IonicContact NH1-OE1 2.7Å; R119-E137 PolarHBondContact NH1-OE1 2.92Å; R119-E137 IonicContact NH2-OE1 3.49Å; R119-E137 PolarHBondContact NH2-OE1 3.24Å
120C90.3Very high91.9Very high0 Ų041.1 Ų41.10%020%0.198CC..  trans-65.3138.9166.3-1710000108.8A101 A102 Q103 I116 G117 R118 L122 T138A101-C120 WeakPolarHBondContact CA-O 3.17Å; A101-C120 HydrophobicContact CB-CB 4.34Å; A101-C120 WeakPolarHBondContact CB-O 3.24Å; A102-C120 PolarHBondContact N-O 3.25Å; Q103-C120 PolarHBondContact N-O 2.98Å; I116-C120 HydrophobicContact CG2-CB 3.61Å; G117-C120 WeakPolarHBondContact O-CB 3.29Å; G117-C120 PolarHBondContact O-N 3.46Å; R118-C120 PolarHBondContact O-N 3.27Å; C120-L122 HydrophobicContact CB-CD1 4.14Å; C120-L122 WeakPolarHBondContact SG-CD1 3.28Å; C120-T138 VanDerWaalsContact CA-O 3.32Å; C120-T138 WeakPolarHBondContact CA-O 3.49Å; C120-T138 PolarHBondContact SG-O 2.73Å
121V92.1Very high91.9Very high31 Ų3145.9 Ų45.919%0.18822%0.224CC..EExtended strand (participates in β ladder)trans-116.3109.8175.5178.40000106.9Q103 T138 V139 V140Q103-V121 HydrophobicContact CB-CG1 4.5Å; V121-T138 PolarHBondContact N-O 3.5Å; V121-V139 HydrophobicContact CB-CG1 4.49Å; V121-V139 HydrophobicContact CB-CG2 4.41Å; V121-V139 WeakPolarHBondContact O-CA 3.14Å; V121-V140 PolarHBondContact O-N 2.79Å
122L93.5Very high91.9Very high1 Ų146 Ų461%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-96.6125.7174.1-62.273.9000107.8A101 Q103 I104 G105 V108 I116 C120 I128 L134 V140A101-L122 HydrophobicContact CB-CD1 3.95Å; Q103-L122 PolarHBondContact O-N 3.07Å; I104-L122 HydrophobicContact CG1-CD1 4.17Å; I104-L122 HydrophobicContact CG1-CD2 4.48Å; G105-L122 PolarHBondContact N-O 3.22Å; V108-L122 HydrophobicContact CG1-CD2 3.89Å; I116-L122 HydrophobicContact CD1-CD2 4.45Å; I116-L122 HydrophobicContact CG2-CD1 4.14Å; C120-L122 HydrophobicContact CB-CD1 4.14Å; C120-L122 WeakPolarHBondContact SG-CD1 3.28Å; L122-I128 HydrophobicContact CD2-CD1 3.33Å; L122-I128 HydrophobicContact CD2-CG1 4.24Å; L122-L134 HydrophobicContact CD2-CD1 4.45Å; L122-V140 HydrophobicContact CG-CB 4.43Å; L122-V140 HydrophobicContact CG-CG2 4.31Å
123K93.3Very high91.9Very high93 Ų9344.7 Ų44.740%0.40422%0.223SC..  trans-78.8-173.3173.2-65.3-68.5-176.1176.90110.4V108 C126 V140 P142V108-K123 WeakPolarHBondContact CG2-O 3.46Å; K123-C126 PolarHBondContact O-SG 3.05Å; K123-V140 WeakPolarHBondContact CB-O 3.32Å; K123-V140 WeakPolarHBondContact CG-O 3.21Å; K123-V140 PolarHBondContact N-O 2.96Å; K123-V140 VanDerWaalsContact N-O 3.1Å; K123-P142 HydrophobicContact CB-CB 4.01Å; K123-P142 HydrophobicContact CB-CG 4.46Å
124D92.2Very high91.9Very high78 Ų7841.2 Ų41.242%0.41721%0.205SC..THydrogen-bonded Turntrans-76.6149.6-176.4-53.6-48.6000111G105 S106 C126 P142 F143G105-D124 WeakPolarHBondContact CA-OD1 3.46Å; S106-D124 PolarHBondContact N-OD1 3.05Å; S106-D124 WeakPolarHBondContact O-CA 3.23Å; D124-C126 PolarHBondContact O-N 3.01Å; D124-P142 WeakPolarHBondContact O-CA 3.24Å; D124-P142 VanDerWaalsContact O-CB 3.3Å; D124-P142 WeakPolarHBondContact O-CB 3.21Å; D124-F143 PolarHBondContact O-N 2.74Å
125C89.5Confident91.8Very high10 Ų1043.2 Ų43.27%0.06822%0.218CC..THydrogen-bonded Turntrans60.230.6175.5-52.70000114.1S106 F143 Q162S106-C125 PolarHBondContact O-N 3.09Å; C125-F143 HydrophobicContact CB-CD1 3.62Å; C125-F143 HydrophobicContact CB-CE1 3.64Å; C125-F143 HydrophobicContact CB-CG 4.26Å; C125-F143 HydrophobicContact CB-CZ 4.3Å; C125-F143 WeakPolarHBondContact O-CA 3.42Å; C125-F143 PolarHBondContact O-N 3.22Å; C125-Q162 WeakPolarHBondContact SG-CG 3.44Å; C125-Q162 PolarHBondContact SG-OE1 3.22Å
126C91.1Very high91.6Very high2 Ų244.7 Ų44.71%0.01423%0.228CC..  trans-82.6139.5174.8-57.70000110.8V108 H109 K123 D124 V140 P141V108-C126 WeakPolarHBondContact CA-O 3.32Å; V108-C126 HydrophobicContact CG1-CB 4.33Å; V108-C126 HydrophobicContact CG2-CB 4.26Å; H109-C126 PolarHBondContact N-O 2.83Å; K123-C126 PolarHBondContact O-SG 3.05Å; D124-C126 PolarHBondContact O-N 3.01Å; C126-V140 HydrophobicContact CB-CG1 3.81Å; C126-V140 WeakPolarHBondContact SG-CG1 3.23Å; C126-P141 PolarHBondContact SG-O 2.79Å
127K92.2Very high91.4Very high79 Ų7950.2 Ų50.234%0.34325%0.254SS..EExtended strand (participates in β ladder)trans-115.2121.6170.2-171.4171.2-178.8175.40109.6H109 T144 V145 F146 L157H109-K127 HydrophobicContact CB-CG 4.22Å; K127-T144 PolarHBondContact N-O 3.4Å; K127-V145 HydrophobicContact CB-CG2 4.44Å; K127-V145 CarbonylContact O-C 3.56Å; K127-V145 WeakPolarHBondContact O-CA 3.39Å; K127-F146 PolarHBondContact O-N 2.68Å; K127-L157 HydrophobicContact CB-CD1 3.52Å; K127-L157 HydrophobicContact CD-CD2 4.27Å
128I93.3Very high91.3Very high1 Ų151.1 Ų51.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-102.8127.2173.9-54.7167.5000107.1H109 I110 G111 C114 I116 L122 T132 L134H109-I128 PolarHBondContact O-N 3.14Å; I110-I128 HydrophobicContact CB-CD1 4.36Å; I110-I128 HydrophobicContact CG1-CD1 3.88Å; I110-I128 HydrophobicContact CG2-CD1 4.23Å; G111-I128 WeakPolarHBondContact CA-O 3Å; G111-I128 PolarHBondContact N-O 3.15Å; C114-I128 HydrophobicContact CB-CG2 4.38Å; C114-I128 WeakPolarHBondContact SG-CG2 3.46Å; I116-I128 HydrophobicContact CD1-CD1 4.49Å; L122-I128 HydrophobicContact CD2-CD1 3.33Å; L122-I128 HydrophobicContact CD2-CG1 4.24Å; I128-T132 HydrophobicContact CG2-CG2 4.37Å; I128-T132 WeakPolarHBondContact CG2-OG1 3.5Å; I128-L134 HydrophobicContact CD1-CD1 3.87Å; I128-L134 HydrophobicContact CG1-CD1 4.4Å
129L93.9Very high91.5Very high65 Ų6549.2 Ų49.234%0.3426%0.261SS..PPolyproline II helixtrans-74167.5176.7-61.3-169.6000111.6T132 V145 F146 S147L129-T132 HydrophobicContact CB-CG2 3.86Å; L129-T132 WeakPolarHBondContact O-CB 3.49Å; L129-T132 WeakPolarHBondContact O-CG2 3.35Å; L129-T132 PolarHBondContact O-OG1 2.77Å; L129-V145 HydrophobicContact CD1-CG1 4.12Å; L129-V145 HydrophobicContact CD2-CG1 3.77Å; L129-V145 HydrophobicContact CG-CG1 3.7Å; L129-F146 PolarHBondContact N-O 2.88Å; L129-S147 VanDerWaalsContact CD1-CB 3.44Å
130D93.9Very high91.8Very high79 Ų7946 Ų4642%0.42225%0.248SC..THydrogen-bonded Turntrans-65.1150.1177.4-50.2-43.4000111.3G111 K112 T132G111-D130 VanDerWaalsContact CA-OD1 3.25Å; G111-D130 WeakPolarHBondContact CA-OD1 3.09Å; K112-D130 HydrophobicContact CB-CB 4.41Å; K112-D130 PolarHBondContact N-OD1 3.17Å; K112-D130 CarbonylContact O-C 3.54Å; K112-D130 WeakPolarHBondContact O-CA 3.42Å; D130-T132 PolarHBondContact O-N 2.74Å
131N92.4Very high91.9Very high101 Ų10148.5 Ų48.554%0.5427%0.265SS..THydrogen-bonded Turntrans56.229.7178.3-53.4-69.7000113.7K112 N113 C149K112-N131 PolarHBondContact O-N 3.31Å; N113-N131 WeakPolarHBondContact CB-OD1 3.4Å; N131-C149 PolarHBondContact O-SG 2.85Å
132T92.7Very high91.9Very high1 Ų150 Ų501%0.00628%0.276CS..  trans-93.6146.7179.754.40000111.4C114 V115 I128 L129 D130 G148C114-T132 CarbonylContact C-O 3.56Å; C114-T132 WeakPolarHBondContact CA-O 3.09Å; C114-T132 PolarHBondContact SG-OG1 2.85Å; V115-T132 PolarHBondContact N-O 3.46Å; I128-T132 HydrophobicContact CG2-CG2 4.37Å; I128-T132 WeakPolarHBondContact CG2-OG1 3.5Å; L129-T132 HydrophobicContact CB-CG2 3.86Å; L129-T132 WeakPolarHBondContact O-CB 3.49Å; L129-T132 WeakPolarHBondContact O-CG2 3.35Å; L129-T132 PolarHBondContact O-OG1 2.77Å; D130-T132 PolarHBondContact O-N 2.74Å; T132-G148 WeakPolarHBondContact CA-O 2.85Å
133V93.6Very high91.7Very high60 Ų6052.8 Ų52.836%0.36429%0.287SS..BIsolated β-bridgetrans-122.3103.1178.1179.10000108.7V115 G148 G151V115-V133 HydrophobicContact CB-CG1 4.24Å; V115-V133 HydrophobicContact CB-CG2 4.17Å; V115-V133 HydrophobicContact CG2-CG2 4.39Å; V115-V133 CarbonylContact O-C 3.57Å; V115-V133 WeakPolarHBondContact O-CA 3.44Å; V133-G148 PolarHBondContact N-O 3.27Å; V133-G151 PolarHBondContact O-N 2.7Å
134L92Very high91.7Very high2 Ų248.6 Ų48.61%0.0127%0.27CS..PPolyproline II helixtrans-74.1128176.1-73.2174.5000110.2V115 I116 G117 L122 I128 V140 F146V115-L134 PolarHBondContact O-N 3.2Å; I116-L134 HydrophobicContact CG1-CD1 4.47Å; I116-L134 HydrophobicContact CG2-CD1 4.46Å; G117-L134 WeakPolarHBondContact CA-O 3.31Å; G117-L134 PolarHBondContact N-O 3.25Å; L122-L134 HydrophobicContact CD2-CD1 4.45Å; I128-L134 HydrophobicContact CD1-CD1 3.87Å; I128-L134 HydrophobicContact CG1-CD1 4.4Å; L134-V140 HydrophobicContact CD1-CG2 4.19Å; L134-V140 HydrophobicContact CD2-CG2 4.06Å; L134-F146 HydrophobicContact CD2-CB 4.16Å; L134-F146 HydrophobicContact CD2-CD1 3.42Å; L134-F146 VanDerWaalsContact CD2-CD1 3.42Å; L134-F146 HydrophobicContact CD2-CE1 4.15Å; L134-F146 HydrophobicContact CD2-CG 4.07Å
135P91.2Very high91.7Very high42 Ų4245.6 Ų45.627%0.27325%0.254SS..PPolyproline II helixtrans-61157.2174.6-6.314.9000111.8T138 P150P135-T138 VanDerWaalsContact CB-OG1 3.23Å; P135-T138 WeakPolarHBondContact CB-OG1 3.13Å; P135-T138 VanDerWaalsContact CD-OG1 3.24Å; P135-T138 WeakPolarHBondContact CD-OG1 3.22Å; P135-T138 WeakPolarHBondContact CG-OG1 3.38Å; P135-T138 WeakPolarHBondContact O-CB 3.09Å; P135-T138 PolarHBondContact O-OG1 2.8Å; P135-T138 VanDerWaalsContact O-OG1 3.05Å; P135-P150 HydrophobicContact CG-CB 4.35Å
136P90.3Very high91.9Very high85 Ų8545.8 Ų45.855%0.55225%0.254SS*.THydrogen-bonded Turntrans-62.9149.2169.629.8-34.6000110.6R118 T138R118-P136 HydrophobicContact CB-CB 4.25Å; R118-P136 CarbonylContact O-C 3.6Å; R118-P136 VanDerWaalsContact O-CA 3.28Å; R118-P136 WeakPolarHBondContact O-CA 3.46Å; P136-T138 PolarHBondContact O-N 2.97Å
137E87.6Confident92Very high118 Ų11847.2 Ų47.255%0.55126%0.264SS*.THydrogen-bonded Turntrans60.511.3179.7-52.7-170.9148.700115R118 R119R118-E137 PolarHBondContact O-N 2.94Å; R119-E137 HydrophobicContact CB-CG 4.33Å; R119-E137 IonicContact CZ-OE1 3.23Å; R119-E137 VanDerWaalsContact CZ-OE1 3.23Å; R119-E137 IonicContact NH1-OE1 2.7Å; R119-E137 PolarHBondContact NH1-OE1 2.92Å; R119-E137 IonicContact NH2-OE1 3.49Å; R119-E137 PolarHBondContact NH2-OE1 3.24Å
138T89.9Confident91.8Very high27 Ų2745.2 Ų45.217%0.16627%0.266CS..  trans-68.9133.9172.8-58.30000110.9C120 V121 P135 P136 V140 F146C120-T138 VanDerWaalsContact CA-O 3.32Å; C120-T138 WeakPolarHBondContact CA-O 3.49Å; C120-T138 PolarHBondContact SG-O 2.73Å; V121-T138 PolarHBondContact N-O 3.5Å; P135-T138 VanDerWaalsContact CB-OG1 3.23Å; P135-T138 WeakPolarHBondContact CB-OG1 3.13Å; P135-T138 VanDerWaalsContact CD-OG1 3.24Å; P135-T138 WeakPolarHBondContact CD-OG1 3.22Å; P135-T138 WeakPolarHBondContact CG-OG1 3.38Å; P135-T138 WeakPolarHBondContact O-CB 3.09Å; P135-T138 PolarHBondContact O-OG1 2.8Å; P135-T138 VanDerWaalsContact O-OG1 3.05Å; P136-T138 PolarHBondContact O-N 2.97Å; T138-V140 HydrophobicContact CG2-CG2 4.36Å; T138-F146 HydrophobicContact CG2-CE1 4.07Å
139V91.6Very high91.6Very high89 Ų8949.4 Ų49.454%0.53929%0.294SS..EExtended strand (participates in β ladder)trans-104.8115.3170.9-176.90000107.5V121 P141V121-V139 HydrophobicContact CB-CG1 4.49Å; V121-V139 HydrophobicContact CB-CG2 4.41Å; V121-V139 WeakPolarHBondContact O-CA 3.14Å; V139-P141 WeakPolarHBondContact O-CD 3.39Å
140V91.3Very high91.2Very high1 Ų150.4 Ų50.41%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-89.6114.8176.1175.70000107.8V121 L122 K123 C126 L134 T138 F146V121-V140 PolarHBondContact O-N 2.79Å; L122-V140 HydrophobicContact CG-CB 4.43Å; L122-V140 HydrophobicContact CG-CG2 4.31Å; K123-V140 WeakPolarHBondContact CB-O 3.32Å; K123-V140 WeakPolarHBondContact CG-O 3.21Å; K123-V140 PolarHBondContact N-O 2.96Å; K123-V140 VanDerWaalsContact N-O 3.1Å; C126-V140 HydrophobicContact CB-CG1 3.81Å; C126-V140 WeakPolarHBondContact SG-CG1 3.23Å; L134-V140 HydrophobicContact CD1-CG2 4.19Å; L134-V140 HydrophobicContact CD2-CG2 4.06Å; T138-V140 HydrophobicContact CG2-CG2 4.36Å; V140-F146 HydrophobicContact CB-CD2 4.39Å; V140-F146 HydrophobicContact CB-CE2 4.1Å; V140-F146 HydrophobicContact CB-CZ 4.24Å; V140-F146 HydrophobicContact CG1-CD2 3.56Å; V140-F146 HydrophobicContact CG1-CE2 3.51Å; V140-F146 HydrophobicContact CG1-CG 4.27Å; V140-F146 HydrophobicContact CG1-CZ 4.15Å; V140-F146 HydrophobicContact CG2-CD1 4.06Å; V140-F146 HydrophobicContact CG2-CD2 4.18Å; V140-F146 HydrophobicContact CG2-CE1 3.93Å; V140-F146 HydrophobicContact CG2-CE2 4.1Å; V140-F146 HydrophobicContact CG2-CG 4.17Å; V140-F146 HydrophobicContact CG2-CZ 3.94Å
141P91.9Very high90.7Very high54 Ų5446.9 Ų46.935%0.35129%0.287SS..  trans-64.815817621.7-29.2000112.7C126 V139 T144C126-P141 PolarHBondContact SG-O 2.79Å; V139-P141 WeakPolarHBondContact O-CD 3.39Å; P141-T144 HydrophobicContact CB-CG2 4.09Å; P141-T144 HydrophobicContact CG-CG2 3.65Å; P141-T144 PolarHBondContact O-OG1 3.49Å
142P91.7Very high90.6Very high63 Ų6347.7 Ų47.741%0.40929%0.291SS..THydrogen-bonded Turntrans-67.2155.1-179.330.8-35.5000111.3K123 D124 T144K123-P142 HydrophobicContact CB-CB 4.01Å; K123-P142 HydrophobicContact CB-CG 4.46Å; D124-P142 WeakPolarHBondContact O-CA 3.24Å; D124-P142 VanDerWaalsContact O-CB 3.3Å; D124-P142 WeakPolarHBondContact O-CB 3.21Å; P142-T144 WeakPolarHBondContact O-CG2 3.5Å; P142-T144 PolarHBondContact O-N 2.83Å
143F90.6Very high90.5Very high58 Ų5852.7 Ų52.725%0.25431%0.313SS..THydrogen-bonded Turntrans5732.3179.8-53.8-78.2000114.4D124 C125 E156 L157 E159D124-F143 PolarHBondContact O-N 2.74Å; C125-F143 HydrophobicContact CB-CD1 3.62Å; C125-F143 HydrophobicContact CB-CE1 3.64Å; C125-F143 HydrophobicContact CB-CG 4.26Å; C125-F143 HydrophobicContact CB-CZ 4.3Å; C125-F143 WeakPolarHBondContact O-CA 3.42Å; C125-F143 PolarHBondContact O-N 3.22Å; F143-E156 CarbonylContact O-C 3.55Å; F143-E156 WeakPolarHBondContact O-CA 3.34Å; F143-L157 PolarHBondContact O-N 2.9Å; F143-E159 HydrophobicContact CD1-CG 4.19Å; F143-E159 HydrophobicContact CE1-CB 4.08Å; F143-E159 HydrophobicContact CE1-CG 3.84Å; F143-E159 HydrophobicContact CZ-CG 4.08Å
144T91.9Very high90.3Very high5 Ų552.9 Ų52.93%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-118.6148.2179.765.10000112.9K127 P141 P142 F146 F153K127-T144 PolarHBondContact N-O 3.4Å; P141-T144 HydrophobicContact CB-CG2 4.09Å; P141-T144 HydrophobicContact CG-CG2 3.65Å; P141-T144 PolarHBondContact O-OG1 3.49Å; P142-T144 WeakPolarHBondContact O-CG2 3.5Å; P142-T144 PolarHBondContact O-N 2.83Å; T144-F146 WeakPolarHBondContact OG1-CE2 3.29Å; T144-F153 HydrophobicContact CG2-CD2 3.85Å; T144-F153 HydrophobicContact CG2-CE2 3.51Å
145V92.8Very high90.2Very high16 Ų1654.8 Ų54.810%0.09733%0.332CS..EExtended strand (participates in β ladder)trans-96.7126170.5-171.20000109.2K127 L129 S154 A155 L157K127-V145 HydrophobicContact CB-CG2 4.44Å; K127-V145 CarbonylContact O-C 3.56Å; K127-V145 WeakPolarHBondContact O-CA 3.39Å; L129-V145 HydrophobicContact CD1-CG1 4.12Å; L129-V145 HydrophobicContact CD2-CG1 3.77Å; L129-V145 HydrophobicContact CG-CG1 3.7Å; V145-S154 WeakPolarHBondContact O-CB 3.35Å; V145-S154 PolarHBondContact O-N 2.93Å; V145-A155 HydrophobicContact CB-CB 4.46Å; V145-A155 HydrophobicContact CG2-CB 4.39Å; V145-A155 PolarHBondContact N-O 3.14Å; V145-L157 HydrophobicContact CG2-CD1 3.78Å; V145-L157 HydrophobicContact CG2-CD2 3.57Å; V145-L157 HydrophobicContact CG2-CG 3.45Å; V145-L157 VanDerWaalsContact CG2-CG 3.45Å
146F93.6Very high90.2Very high13 Ų1360.2 Ų60.26%0.05735%0.354CS..EExtended strand (participates in β ladder)trans-105.5132.8170.8-87.9-117.5000110.5K127 L129 L134 T138 V140 T144 L152 F153K127-F146 PolarHBondContact O-N 2.68Å; L129-F146 PolarHBondContact N-O 2.88Å; L134-F146 HydrophobicContact CD2-CB 4.16Å; L134-F146 HydrophobicContact CD2-CD1 3.42Å; L134-F146 VanDerWaalsContact CD2-CD1 3.42Å; L134-F146 HydrophobicContact CD2-CE1 4.15Å; L134-F146 HydrophobicContact CD2-CG 4.07Å; T138-F146 HydrophobicContact CG2-CE1 4.07Å; V140-F146 HydrophobicContact CB-CD2 4.39Å; V140-F146 HydrophobicContact CB-CE2 4.1Å; V140-F146 HydrophobicContact CB-CZ 4.24Å; V140-F146 HydrophobicContact CG1-CD2 3.56Å; V140-F146 HydrophobicContact CG1-CE2 3.51Å; V140-F146 HydrophobicContact CG1-CG 4.27Å; V140-F146 HydrophobicContact CG1-CZ 4.15Å; V140-F146 HydrophobicContact CG2-CD1 4.06Å; V140-F146 HydrophobicContact CG2-CD2 4.18Å; V140-F146 HydrophobicContact CG2-CE1 3.93Å; V140-F146 HydrophobicContact CG2-CE2 4.1Å; V140-F146 HydrophobicContact CG2-CG 4.17Å; V140-F146 HydrophobicContact CG2-CZ 3.94Å; T144-F146 WeakPolarHBondContact OG1-CE2 3.29Å; F146-L152 WeakPolarHBondContact CA-O 3.36Å; F146-F153 HydrophobicContact CE2-CB 4.32Å; F146-F153 HydrophobicContact CE2-CD2 4.4Å; F146-F153 HydrophobicContact CZ-CB 4.36Å
147S92.6Very high90Very high32 Ų3257.6 Ų57.622%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-140.9156.1-179.675.20000111.5L129 L152 S154L129-S147 VanDerWaalsContact CD1-CB 3.44Å; S147-L152 PolarHBondContact N-O 3.48Å; S147-L152 PolarHBondContact O-N 2.98Å; S147-S154 WeakPolarHBondContact OG-CB 3.33Å; S147-S154 PolarHBondContact OG-OG 2.89Å
148G89.1Confident89.9Confident38 Ų3856.1 Ų56.139%0.39234%0.336SS..THydrogen-bonded Turntrans95.8173.6175.100000116.8T132 V133 P150 G151T132-G148 WeakPolarHBondContact CA-O 2.85Å; V133-G148 PolarHBondContact N-O 3.27Å; G148-P150 VanDerWaalsContact C-C 3.49Å; G148-P150 CarbonylContact C-O 3.45Å; G148-P150 CarbonylContact O-C 3.53Å; G148-G151 WeakPolarHBondContact O-CA 3.44Å; G148-G151 PolarHBondContact O-N 3.05Å
149C88.5Confident89.5Confident88 Ų8861.4 Ų61.460%0.59536%0.359SS*.THydrogen-bonded Turntrans-132.793.4177.9-72.50000108.2N131N131-C149 PolarHBondContact O-SG 2.85Å
150P85.2Confident89Confident86 Ų8661.3 Ų61.356%0.55836%0.361SS*.THydrogen-bonded Turncis-75.8153.56.831.5-35.4000113.9P135 G148 L152P135-P150 HydrophobicContact CG-CB 4.35Å; G148-P150 VanDerWaalsContact C-C 3.49Å; G148-P150 CarbonylContact C-O 3.45Å; G148-P150 CarbonylContact O-C 3.53Å; P150-L152 PolarHBondContact O-N 3.49Å
151G85.3Confident88.4Confident5 Ų563.4 Ų63.45%0.05237%0.374CS..THydrogen-bonded Turntrans-64.1115.9-178.400000111.8V133 G148V133-G151 PolarHBondContact O-N 2.7Å; G148-G151 WeakPolarHBondContact O-CA 3.44Å; G148-G151 PolarHBondContact O-N 3.05Å
152L88.3Confident87.8Confident118 Ų11863.1 Ų63.162%0.61837%0.368SS*.EExtended strand (participates in β ladder)trans-115.8157178.1-74162.6000109.7F146 S147 P150 S154F146-L152 WeakPolarHBondContact CA-O 3.36Å; S147-L152 PolarHBondContact N-O 3.48Å; S147-L152 PolarHBondContact O-N 2.98Å; P150-L152 PolarHBondContact O-N 3.49Å; L152-S154 PolarHBondContact O-N 2.9Å
153F91.1Very high87.5Confident107 Ų10764.6 Ų64.647%0.46937%0.373SS..EExtended strand (participates in β ladder)trans-61.3124.7169.8170.6-97.7000109.3T144 F146 A155 E156T144-F153 HydrophobicContact CG2-CD2 3.85Å; T144-F153 HydrophobicContact CG2-CE2 3.51Å; F146-F153 HydrophobicContact CE2-CB 4.32Å; F146-F153 HydrophobicContact CE2-CD2 4.4Å; F146-F153 HydrophobicContact CZ-CB 4.36Å; F153-A155 WeakPolarHBondContact CE2-O 3.35Å; F153-E156 HydrophobicContact CE2-CG 3.97Å; F153-E156 HydrophobicContact CZ-CG 3.63Å
154S90.3Very high87.1Confident64 Ų6467.3 Ų67.345%0.44839%0.389SS..EExtended strand (participates in β ladder)trans-104.5-49.1-176.6-1630000111.7V145 S147 L152V145-S154 WeakPolarHBondContact O-CB 3.35Å; V145-S154 PolarHBondContact O-N 2.93Å; S147-S154 WeakPolarHBondContact OG-CB 3.33Å; S147-S154 PolarHBondContact OG-OG 2.89Å; L152-S154 PolarHBondContact O-N 2.9Å
155A90.4Very high86.5Confident41 Ų4168.1 Ų68.134%0.33939%0.393SS..EExtended strand (participates in β ladder)trans-163.9164-173.900000110.7V145 F153V145-A155 HydrophobicContact CB-CB 4.46Å; V145-A155 HydrophobicContact CG2-CB 4.39Å; V145-A155 PolarHBondContact N-O 3.14Å; F153-A155 WeakPolarHBondContact CE2-O 3.35Å
156E90.6Very high86Confident156 Ų15668 Ų6873%0.72939%0.392SS*.EExtended strand (participates in β ladder)trans-91147.6168.6-55-172.4160.400110.2F143 F153F143-E156 CarbonylContact O-C 3.55Å; F143-E156 WeakPolarHBondContact O-CA 3.34Å; F153-E156 HydrophobicContact CE2-CG 3.97Å; F153-E156 HydrophobicContact CZ-CG 3.63Å
157L85.9Confident85.6Confident30 Ų3071.8 Ų71.816%0.15741%0.412CS..PPolyproline II helixtrans-100.2141.5175-68.7151.8000108.9K127 F143 V145 T161K127-L157 HydrophobicContact CB-CD1 3.52Å; K127-L157 HydrophobicContact CD-CD2 4.27Å; F143-L157 PolarHBondContact O-N 2.9Å; V145-L157 HydrophobicContact CG2-CD1 3.78Å; V145-L157 HydrophobicContact CG2-CD2 3.57Å; V145-L157 HydrophobicContact CG2-CG 3.45Å; V145-L157 VanDerWaalsContact CG2-CG 3.45Å; L157-T161 HydrophobicContact CD2-CG2 4.24Å
158P86.3Confident85Confident87 Ų8772.7 Ų72.757%0.56542%0.416SS*.PPolyproline II helixtrans-63.2146.9166.1-12.524.5000110.7C160 T161P158-C160 PolarHBondContact O-N 2.86Å; P158-T161 VanDerWaalsContact O-CB 3.31Å; P158-T161 WeakPolarHBondContact O-CB 3.38Å; P158-T161 PolarHBondContact O-N 2.87Å; P158-T161 PolarHBondContact O-OG1 3.12Å
159E80.8Confident84.5Confident139 Ų13970.9 Ų70.965%0.6540%0.398SS*.THydrogen-bonded Turntrans-57-32.5177.5-62.4-175.5154.400112.5F143 T161 Q162F143-E159 HydrophobicContact CD1-CG 4.19Å; F143-E159 HydrophobicContact CE1-CB 4.08Å; F143-E159 HydrophobicContact CE1-CG 3.84Å; F143-E159 HydrophobicContact CZ-CG 4.08Å; E159-T161 PolarHBondContact O-N 3.09Å; E159-Q162 VanDerWaalsContact O-CB 3.32Å; E159-Q162 WeakPolarHBondContact O-CB 3.39Å; E159-Q162 PolarHBondContact O-N 2.82Å
160C81.6Confident84.2Confident87 Ų8770.9 Ų70.959%0.58839%0.387SS*.Hα-helixtrans-58.6-20.8176.5-53.90000113.9P158 Q162 D163 L164P158-C160 PolarHBondContact O-N 2.86Å; C160-Q162 PolarHBondContact O-N 2.85Å; C160-D163 PolarHBondContact O-N 3.29Å; C160-L164 PolarHBondContact O-N 2.96Å
161T78.9Confident84.1Confident44 Ų4468.8 Ų68.827%0.2738%0.375SS..Hα-helixtrans-64.4-28.9178.8-46.90000111.6L157 P158 E159 M165L157-T161 HydrophobicContact CD2-CG2 4.24Å; P158-T161 VanDerWaalsContact O-CB 3.31Å; P158-T161 WeakPolarHBondContact O-CB 3.38Å; P158-T161 PolarHBondContact O-N 2.87Å; P158-T161 PolarHBondContact O-OG1 3.12Å; E159-T161 PolarHBondContact O-N 3.09Å; T161-M165 WeakPolarHBondContact O-CB 3.21Å; T161-M165 PolarHBondContact O-N 3.29Å
162Q79.5Confident83.8Confident48 Ų4869 Ų6922%0.22437%0.374CS..Hα-helixtrans-60.5-50.8177.1-179.8179.8-1200111.3Y107 C125 E159 C160 M165 I166Y107-Q162 HydrophobicContact CD1-CG 4.12Å; Y107-Q162 HydrophobicContact CD2-CG 3.87Å; Y107-Q162 HydrophobicContact CE2-CG 4.43Å; Y107-Q162 HydrophobicContact CG-CG 3.69Å; C125-Q162 WeakPolarHBondContact SG-CG 3.44Å; C125-Q162 PolarHBondContact SG-OE1 3.22Å; E159-Q162 VanDerWaalsContact O-CB 3.32Å; E159-Q162 WeakPolarHBondContact O-CB 3.39Å; E159-Q162 PolarHBondContact O-N 2.82Å; C160-Q162 PolarHBondContact O-N 2.85Å; Q162-M165 WeakPolarHBondContact O-CB 3.38Å; Q162-M165 PolarHBondContact O-N 2.99Å; Q162-M165 VanDerWaalsContact O-N 3.1Å; Q162-I166 HydrophobicContact CG-CD1 4.17Å; Q162-I166 WeakPolarHBondContact O-CG1 3.2Å; Q162-I166 PolarHBondContact O-N 3.26Å
163D84Confident83.3Confident95 Ų9565.7 Ų65.751%0.50835%0.354SS..Hα-helixtrans-65.3-42.9-178.3-64.7-40.7000111.5C160 M165 I166 D167C160-D163 PolarHBondContact O-N 3.29Å; D163-M165 PolarHBondContact O-N 2.85Å; D163-I166 WeakPolarHBondContact O-CB 3.36Å; D163-I166 PolarHBondContact O-N 2.9Å; D163-I166 VanDerWaalsContact O-N 3.13Å; D163-D167 PolarHBondContact O-N 2.84Å
164L82.9Confident82.4Confident114 Ų11467.1 Ų67.160%0.59736%0.362SS*.Hα-helixtrans-54.1-42.2171.6-87.4152.5000111.6C160 D167 V168C160-L164 PolarHBondContact O-N 2.96Å; L164-D167 PolarHBondContact O-N 2.95Å; L164-V168 WeakPolarHBondContact O-CB 3.1Å; L164-V168 WeakPolarHBondContact O-CG2 3.22Å; L164-V168 PolarHBondContact O-N 3.27Å
165M78.4Confident81.6Confident22 Ų2268.5 Ų68.511%0.10836%0.36CS..Hα-helixtrans-69.7-38.4179.7-167.361-160.900112.4F92 H109 T161 Q162 D163 V168 T169F92-M165 HydrophobicContact CB-CE 3.07Å; F92-M165 HydrophobicContact CD1-CE 4.08Å; F92-M165 HydrophobicContact CD2-CE 4.07Å; F92-M165 HydrophobicContact CG-CE 3.52Å; H109-M165 HydrophobicContact CB-CE 4.11Å; H109-M165 HydrophobicContact CB-SD 4.27Å; T161-M165 WeakPolarHBondContact O-CB 3.21Å; T161-M165 PolarHBondContact O-N 3.29Å; Q162-M165 WeakPolarHBondContact O-CB 3.38Å; Q162-M165 PolarHBondContact O-N 2.99Å; Q162-M165 VanDerWaalsContact O-N 3.1Å; D163-M165 PolarHBondContact O-N 2.85Å; M165-V168 PolarHBondContact O-N 2.95Å; M165-T169 WeakPolarHBondContact O-CB 3.4Å; M165-T169 PolarHBondContact O-N 3.46Å; M165-T169 PolarHBondContact O-OG1 3.3Å
166I83.9Confident80.4Confident15 Ų1566.6 Ų66.68%0.07734%0.344CS..Hα-helixtrans-61-48174.2-68167.8000110Y107 Q162 D163 T169 K170Y107-I166 HydrophobicContact CD1-CD1 3.63Å; Y107-I166 HydrophobicContact CD1-CG1 3.35Å; Y107-I166 HydrophobicContact CE1-CD1 3.28Å; Y107-I166 HydrophobicContact CE1-CG1 3.38Å; Y107-I166 HydrophobicContact CG-CG1 4.5Å; Q162-I166 HydrophobicContact CG-CD1 4.17Å; Q162-I166 WeakPolarHBondContact O-CG1 3.2Å; Q162-I166 PolarHBondContact O-N 3.26Å; D163-I166 WeakPolarHBondContact O-CB 3.36Å; D163-I166 PolarHBondContact O-N 2.9Å; D163-I166 VanDerWaalsContact O-N 3.13Å; I166-T169 PolarHBondContact O-N 3.13Å; I166-K170 HydrophobicContact CG2-CD 3.76Å; I166-K170 HydrophobicContact CG2-CG 4.29Å; I166-K170 VanDerWaalsContact CG2-NZ 3.31Å; I166-K170 WeakPolarHBondContact O-CB 3.44Å; I166-K170 VanDerWaalsContact O-CG 3.31Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 3.1Å
167D84.6Confident79Confident92 Ų9264.2 Ų64.249%0.49234%0.336SS..Hα-helixtrans-65.6-41.2-178.6-72.8-15.8000111.3D163 L164 S171D163-D167 PolarHBondContact O-N 2.84Å; L164-D167 PolarHBondContact O-N 2.95Å; D167-S171 WeakPolarHBondContact O-CB 3.36Å; D167-S171 PolarHBondContact O-N 3.1Å; D167-S171 PolarHBondContact O-OG 2.97Å
168V80.4Confident77.6Confident50 Ų5065 Ų6530%0.30334%0.342SS..Hα-helixtrans-58.1-48.8171.4162.30000110.7L3 L164 M165 S171 Y172L3-V168 HydrophobicContact CD1-CB 4.44Å; L3-V168 HydrophobicContact CD1-CG1 3.95Å; L3-V168 HydrophobicContact CD1-CG2 4.4Å; L3-V168 HydrophobicContact CD2-CG1 4.28Å; L164-V168 WeakPolarHBondContact O-CB 3.1Å; L164-V168 WeakPolarHBondContact O-CG2 3.22Å; L164-V168 PolarHBondContact O-N 3.27Å; M165-V168 PolarHBondContact O-N 2.95Å; V168-S171 PolarHBondContact O-N 2.9Å; V168-Y172 WeakPolarHBondContact O-CB 3.44Å; V168-Y172 PolarHBondContact O-N 2.69Å
169T77.9Confident76.1Confident1 Ų164.5 Ų64.51%0.00634%0.335CS..Hα-helixtrans-68.4-41.2-175.9-550000112H60 V62 M165 I166 Y172 Y173H60-T169 HydrophobicContact CB-CG2 4.44Å; H60-T169 WeakPolarHBondContact O-CG2 3.13Å; V62-T169 HydrophobicContact CG2-CG2 4.02Å; M165-T169 WeakPolarHBondContact O-CB 3.4Å; M165-T169 PolarHBondContact O-N 3.46Å; M165-T169 PolarHBondContact O-OG1 3.3Å; I166-T169 PolarHBondContact O-N 3.13Å; T169-Y172 PolarHBondContact O-N 3.22Å; T169-Y173 PolarHBondContact O-N 3.01Å
170K82.9Confident74.5Confident87 Ų8762.8 Ų62.838%0.37834%0.338SS..Hα-helixtrans-64.7-46.4174.7-74.2174.1-179.1165.50111.1I166 Y172 Y173 Q174I166-K170 HydrophobicContact CG2-CD 3.76Å; I166-K170 HydrophobicContact CG2-CG 4.29Å; I166-K170 VanDerWaalsContact CG2-NZ 3.31Å; I166-K170 WeakPolarHBondContact O-CB 3.44Å; I166-K170 VanDerWaalsContact O-CG 3.31Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 3.1Å; K170-Y172 VanDerWaalsContact C-N 3.29Å; K170-Y172 PolarHBondContact O-N 3.27Å; K170-Y173 PolarHBondContact O-N 2.78Å; K170-Q174 WeakPolarHBondContact O-CG 3.3Å; K170-Q174 PolarHBondContact O-N 2.77Å
171S82.1Confident72.6Confident42 Ų4267.4 Ų67.429%0.29435%0.351SS..Hα-helixtrans-61.8-41177.1-60.90000110.8D167 V168 Q174 K175D167-S171 WeakPolarHBondContact O-CB 3.36Å; D167-S171 PolarHBondContact O-N 3.1Å; D167-S171 PolarHBondContact O-OG 2.97Å; V168-S171 PolarHBondContact O-N 2.9Å; S171-Q174 PolarHBondContact O-N 3.07Å; S171-K175 VanDerWaalsContact O-CB 3.31Å; S171-K175 WeakPolarHBondContact O-CB 3.33Å; S171-K175 VanDerWaalsContact O-CG 3.24Å; S171-K175 WeakPolarHBondContact O-CG 3.41Å; S171-K175 PolarHBondContact O-N 3.32Å
172Y79.6Confident70.5Confident11 Ų1176.6 Ų76.64%0.04340%0.396CS..Hα-helixtrans-61.5-44.6176.3-172-94.3000111.7L3 I6 I41 M43 V62 V168 T169 K170 Q174 K175 F176L3-Y172 HydrophobicContact CD2-CD2 3.94Å; I6-Y172 HydrophobicContact CD1-CE2 3.48Å; I6-Y172 VanDerWaalsContact CD1-CE2 3.48Å; I6-Y172 VanDerWaalsContact CD1-CZ 3.45Å; I6-Y172 WeakPolarHBondContact CD1-OH 3.32Å; I41-Y172 HydrophobicContact CD1-CD1 4.24Å; I41-Y172 HydrophobicContact CD1-CE1 4.4Å; M43-Y172 WeakPolarHBondContact CE-OH 3.31Å; V62-Y172 HydrophobicContact CB-CE1 4.45Å; V62-Y172 HydrophobicContact CG1-CD1 3.95Å; V62-Y172 HydrophobicContact CG1-CE1 3.43Å; V62-Y172 VanDerWaalsContact CG1-CE1 3.43Å; V62-Y172 HydrophobicContact CG2-CD1 3.81Å; V62-Y172 HydrophobicContact CG2-CE1 4.15Å; V168-Y172 WeakPolarHBondContact O-CB 3.44Å; V168-Y172 PolarHBondContact O-N 2.69Å; T169-Y172 PolarHBondContact O-N 3.22Å; K170-Y172 VanDerWaalsContact C-N 3.29Å; K170-Y172 PolarHBondContact O-N 3.27Å; Y172-Q174 VanDerWaalsContact C-N 3.33Å; Y172-Q174 PolarHBondContact O-N 3.48Å; Y172-K175 PolarHBondContact O-N 3.12Å; Y172-F176 HydrophobicContact CE1-CD2 4.46Å; Y172-F176 WeakPolarHBondContact O-CB 3.38Å; Y172-F176 PolarHBondContact O-N 3.02Å
173Y76.4Confident70.1Confident47 Ų4778 Ų7818%0.18441%0.405CS..Hα-helixtrans-62.1-39.8175.6-177-87.6000112.7G19 K39 I41 T169 K170G19-Y173 PolarHBondContact O-OH 2.9Å; K39-Y173 HydrophobicContact CB-CD2 4.31Å; K39-Y173 HydrophobicContact CB-CE1 4.49Å; K39-Y173 HydrophobicContact CB-CE2 3.84Å; K39-Y173 HydrophobicContact CG-CE1 4.42Å; K39-Y173 HydrophobicContact CG-CE2 4.49Å; K39-Y173 WeakPolarHBondContact O-CD2 3.36Å; K39-Y173 WeakPolarHBondContact O-CE2 3.39Å; I41-Y173 HydrophobicContact CD1-CD2 3.5Å; I41-Y173 HydrophobicContact CD1-CE2 4.23Å; I41-Y173 HydrophobicContact CD1-CG 4.23Å; I41-Y173 HydrophobicContact CG1-CD2 3.71Å; I41-Y173 HydrophobicContact CG1-CE2 4.03Å; T169-Y173 PolarHBondContact O-N 3.01Å; K170-Y173 PolarHBondContact O-N 2.78Å
174Q73.6Confident69.4Low138 Ų13877.1 Ų77.165%0.64540%0.399SS*.Hα-helixtrans-68.7-38.9177.1-70.9174.11.600112.5K170 S171 Y172 F176K170-Q174 WeakPolarHBondContact O-CG 3.3Å; K170-Q174 PolarHBondContact O-N 2.77Å; S171-Q174 PolarHBondContact O-N 3.07Å; Y172-Q174 VanDerWaalsContact C-N 3.33Å; Y172-Q174 PolarHBondContact O-N 3.48Å; Q174-F176 VanDerWaalsContact C-N 3.33Å
175K71.9Confident68.6Low92 Ų9275.1 Ų75.140%0.439%0.388SS..Hα-helixtrans-78.9-15178.7-70.7178.3178.3-168.80113.5S171 Y172 L177S171-K175 VanDerWaalsContact O-CB 3.31Å; S171-K175 WeakPolarHBondContact O-CB 3.33Å; S171-K175 VanDerWaalsContact O-CG 3.24Å; S171-K175 WeakPolarHBondContact O-CG 3.41Å; S171-K175 PolarHBondContact O-N 3.32Å; Y172-K175 PolarHBondContact O-N 3.12Å; K175-L177 PolarHBondContact O-N 2.87Å
176F67Low68Low2 Ų278.2 Ų78.21%0.00941%0.405CS..  trans-7475.8170.9-157.9-97.4000108.7I6 Y8 Y13 K21 I41 M43 Y172 Q174I6-F176 HydrophobicContact CB-CD2 4.02Å; I6-F176 HydrophobicContact CB-CE2 4.07Å; I6-F176 HydrophobicContact CG2-CD2 4.1Å; I6-F176 HydrophobicContact CG2-CE2 3.62Å; Y8-F176 AromaticContact CD1-CD1 3.28Å; Y8-F176 HydrophobicContact CD1-CD1 3.28Å; Y8-F176 HydrophobicContact CD1-CD2 4.39Å; Y8-F176 AromaticContact CD1-CE1 3.12Å; Y8-F176 HydrophobicContact CD1-CE1 3.12Å; Y8-F176 HydrophobicContact CD1-CE2 4.26Å; Y8-F176 AromaticContact CD1-CG 3.94Å; Y8-F176 HydrophobicContact CD1-CG 3.94Å; Y8-F176 AromaticContact CD1-CZ 3.66Å; Y8-F176 HydrophobicContact CD1-CZ 3.66Å; Y8-F176 HydrophobicContact CD2-CE1 4.11Å; Y8-F176 AromaticContact CE1-CD1 3.3Å; Y8-F176 HydrophobicContact CE1-CD1 3.3Å; Y8-F176 AromaticContact CE1-CE1 3.48Å; Y8-F176 HydrophobicContact CE1-CE1 3.48Å; Y8-F176 VanDerWaalsContact CE1-CE1 3.48Å; Y8-F176 HydrophobicContact CE1-CG 4.17Å; Y8-F176 HydrophobicContact CE1-CZ 4.43Å; Y8-F176 WeakPolarHBondContact CE1-O 3.38Å; Y8-F176 HydrophobicContact CE2-CE1 4.39Å; Y8-F176 HydrophobicContact CG-CD1 4.12Å; Y8-F176 AromaticContact CG-CE1 3.47Å; Y8-F176 HydrophobicContact CG-CE1 3.47Å; Y8-F176 VanDerWaalsContact CG-CE1 3.47Å; Y8-F176 AromaticContact CG-CZ 3.75Å; Y8-F176 HydrophobicContact CG-CZ 3.75Å; Y13-F176 HydrophobicContact CD1-CE1 4.29Å; Y13-F176 HydrophobicContact CE1-CE1 4.01Å; Y13-F176 AromaticContact CE1-CZ 3.82Å; Y13-F176 HydrophobicContact CE1-CZ 3.82Å; Y13-F176 HydrophobicContact CE2-CZ 4.45Å; Y13-F176 AromaticContact CZ-CZ 3.77Å; K21-F176 HydrophobicContact CD-CD1 3.6Å; K21-F176 HydrophobicContact CD-CE1 4.03Å; K21-F176 PolarHBondContact NZ-O 3.38Å; I41-F176 HydrophobicContact CD1-CB 3.98Å; I41-F176 HydrophobicContact CD1-CD1 4.22Å; I41-F176 HydrophobicContact CD1-CG 4.02Å; I41-F176 HydrophobicContact CG2-CD1 4.36Å; I41-F176 HydrophobicContact CG2-CE1 4.09Å; I41-F176 HydrophobicContact CG2-CE2 4.35Å; I41-F176 HydrophobicContact CG2-CZ 4.09Å; M43-F176 HydrophobicContact CE-CE2 4.3Å; Y172-F176 HydrophobicContact CE1-CD2 4.46Å; Y172-F176 WeakPolarHBondContact O-CB 3.38Å; Y172-F176 PolarHBondContact O-N 3.02Å; Q174-F176 VanDerWaalsContact C-N 3.33Å
177L60.5Low67Low105 Ų10582.1 Ų82.155%0.5543%0.425SS..  trans-97.5140.2-179-72.2160.9000109.8Y8 K175Y8-L177 WeakPolarHBondContact CD1-O 3.3Å; Y8-L177 WeakPolarHBondContact CE1-O 3.46Å; K175-L177 PolarHBondContact O-N 2.87Å
178P56.6Low65.9Low46 Ų4681.5 Ų81.530%0.29942%0.421SS..EExtended strand (participates in β ladder)trans-63.6139.9173.626.6-30.8000108.7Y8 K10 S180Y8-P178 HydrophobicContact CE1-CB 4.11Å; Y8-P178 HydrophobicContact CE2-CB 4Å; Y8-P178 CarbonylContact O-C 3.6Å; Y8-P178 WeakPolarHBondContact O-CA 3.45Å; K10-P178 HydrophobicContact CB-CB 4.07Å; K10-P178 HydrophobicContact CG-CB 4.37Å; P178-S180 PolarHBondContact O-N 3Å
179L55.5Low64.8Low78 Ų7883.7 Ų83.741%0.40843%0.429SS..EExtended strand (participates in β ladder)trans-56.4108162.3-85.8152.1000107.7L7 Y8 Q181L7-L179 HydrophobicContact CB-CD1 3.84Å; L7-L179 HydrophobicContact CB-CD2 3.95Å; L7-L179 HydrophobicContact CB-CG 3.68Å; L7-L179 HydrophobicContact CD1-CD2 4.14Å; L7-L179 HydrophobicContact CD2-CD2 4.06Å; L7-L179 HydrophobicContact CD2-CG 4.18Å; L7-L179 HydrophobicContact CG-CD2 4.28Å; L7-L179 HydrophobicContact CG-CG 4.41Å; Y8-L179 PolarHBondContact O-N 3.21Å; L179-Q181 PolarHBondContact O-N 3.18Å
180S46.1Very low63.8Low103 Ų10390.1 Ų90.172%0.7246%0.462SS*.  trans-65.4111.4165.149.70000106.8P178 I182P178-S180 PolarHBondContact O-N 3Å; S180-I182 PolarHBondContact O-N 3.25Å; S180-I182 VanDerWaalsContact O-N 3.15Å
181Q41.9Very low62.2Low184 Ų18490.3 Ų90.386%0.8647%0.468SS*.  trans-52120.7167-82.6172.5-48.700108.2L179L179-Q181 PolarHBondContact O-N 3.18Å
182I35.6Very low60.4Low236 Ų23694.7 Ų94.7100%1.2148%0.484SS*.  trans-79.20152.6-58.3173.2000106.3S180S180-I182 PolarHBondContact O-N 3.25Å; S180-I182 VanDerWaalsContact O-N 3.15Å

Retrieved 182 of 182 residues in 411.5 ms (Link to these results)

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