A0A087X626_POEFO Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X626, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 246 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
1F36.6Very low37.1Very low147 Ų14762.1 Ų62.165%0.64531%0.306SS*.  0-54.80-93.2-91.8000114.7I3 F4 M5F1-I3 VanDerWaalsContact C-N 3.33Å; F1-I3 PolarHBondContact O-N 3.14Å; F1-F4 CarbonylContact O-C 3.59Å; F1-F4 PolarHBondContact O-N 3.46Å; F1-F4 VanDerWaalsContact O-N 3.14Å; F1-M5 PolarHBondContact O-N 2.95Å
2K30.5Very low37Very low64 Ų6464.8 Ų64.828%0.27833%0.333SS..Hα-helixtrans-61.7-36.7176.8-60.8175172.9177.70113.5M5 C6 E105 Y124 G234 I236K2-M5 PolarHBondContact O-N 2.82Å; K2-C6 PolarHBondContact O-N 3.41Å; K2-E105 WeakPolarHBondContact CE-OE1 3.32Å; K2-E105 IonicContact NZ-OE1 2.68Å; K2-E105 PolarHBondContact NZ-OE1 3.28Å; K2-E105 IonicContact NZ-OE2 2.73Å; K2-E105 PolarHBondContact NZ-OE2 3.46Å; K2-Y124 WeakPolarHBondContact CD-OH 3.28Å; K2-Y124 WeakPolarHBondContact CE-OH 3.37Å; K2-G234 WeakPolarHBondContact CE-O 3.01Å; K2-G234 PolarHBondContact NZ-O 3.33Å; K2-I236 HydrophobicContact CB-CD1 3.68Å; K2-I236 HydrophobicContact CG-CD1 4.4Å
3I35.3Very low37.2Very low36 Ų3665.5 Ų65.519%0.18534%0.338CS..Hα-helixtrans-66.3-46171.5-70.4171.4000110.7F1 M5 C6 F7 I178 A229 I236F1-I3 VanDerWaalsContact C-N 3.33Å; F1-I3 PolarHBondContact O-N 3.14Å; I3-M5 VanDerWaalsContact C-N 3.27Å; I3-M5 PolarHBondContact O-N 3.27Å; I3-C6 WeakPolarHBondContact O-CB 3.32Å; I3-C6 PolarHBondContact O-N 2.98Å; I3-C6 VanDerWaalsContact O-N 3.13Å; I3-F7 HydrophobicContact CG2-CD2 3.57Å; I3-F7 HydrophobicContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact O-CD2 3.23Å; I3-F7 WeakPolarHBondContact O-CD2 3.46Å; I3-F7 PolarHBondContact O-N 3Å; I3-I178 HydrophobicContact CD1-CD1 3.64Å; I3-I178 HydrophobicContact CG2-CD1 4.15Å; I3-A229 HydrophobicContact CD1-CB 3.83Å; I3-I236 HydrophobicContact CB-CD1 4.46Å; I3-I236 HydrophobicContact CD1-CD1 3.99Å; I3-I236 HydrophobicContact CD1-CG2 3.8Å; I3-I236 HydrophobicContact CG1-CD1 3.82Å
4F36.5Very low37.2Very low100 Ų10069.1 Ų69.144%0.43936%0.358SS..Hα-helixtrans-62.9-30.7178.1-148.4-106.2000112.9F1 F7 I8 L189F1-F4 CarbonylContact O-C 3.59Å; F1-F4 PolarHBondContact O-N 3.46Å; F1-F4 VanDerWaalsContact O-N 3.14Å; F4-F7 PolarHBondContact O-N 3.33Å; F4-I8 HydrophobicContact CD1-CD1 3.39Å; F4-I8 HydrophobicContact CD1-CG1 3.92Å; F4-I8 HydrophobicContact CE1-CD1 3.55Å; F4-I8 HydrophobicContact CE1-CG1 3.98Å; F4-I8 HydrophobicContact CG-CD1 4.5Å; F4-I8 WeakPolarHBondContact O-CB 3.32Å; F4-I8 WeakPolarHBondContact O-CG1 3.38Å; F4-I8 PolarHBondContact O-N 2.81Å; F4-L189 HydrophobicContact CD2-CD2 3.86Å; F4-L189 HydrophobicContact CE2-CD2 3.84Å
5M36.9Very low37.2Very low10 Ų1072.1 Ų72.15%0.04939%0.385CS..Hα-helixtrans-65.1-44.6171.5-84.6-110102.600112.5F1 K2 I3 F7 I8 S9 Q55 S56 A57F1-M5 PolarHBondContact O-N 2.95Å; K2-M5 PolarHBondContact O-N 2.82Å; I3-M5 VanDerWaalsContact C-N 3.27Å; I3-M5 PolarHBondContact O-N 3.27Å; M5-F7 VanDerWaalsContact C-N 3.3Å; M5-F7 PolarHBondContact O-N 3.06Å; M5-I8 PolarHBondContact O-N 2.91Å; M5-S9 WeakPolarHBondContact O-CB 3.41Å; M5-S9 PolarHBondContact O-N 2.99Å; M5-S9 PolarHBondContact O-OG 3.48Å; M5-Q55 HydrophobicContact CE-CG 3.63Å; M5-Q55 HydrophobicContact SD-CG 4.29Å; M5-S56 VanDerWaalsContact CE-O 3.24Å; M5-S56 WeakPolarHBondContact CE-O 2.97Å; M5-A57 HydrophobicContact CG-CB 4.22Å; M5-A57 WeakPolarHBondContact SD-CA 3.4Å; M5-A57 HydrophobicContact SD-CB 4.37Å
6C38.7Very low36.9Very low51 Ų5174.8 Ų74.835%0.34540%0.398SS..Hα-helixtrans-59.8-42.7169.8-800000110.8K2 I3 S9 I10K2-C6 PolarHBondContact O-N 3.41Å; I3-C6 WeakPolarHBondContact O-CB 3.32Å; I3-C6 PolarHBondContact O-N 2.98Å; I3-C6 VanDerWaalsContact O-N 3.13Å; C6-S9 PolarHBondContact O-OG 2.84Å; C6-I10 VanDerWaalsContact O-CB 3.31Å; C6-I10 WeakPolarHBondContact O-CB 3.42Å; C6-I10 WeakPolarHBondContact O-CD1 3.38Å; C6-I10 WeakPolarHBondContact O-CG1 3.09Å; C6-I10 PolarHBondContact O-N 3.39Å
7F39Very low36.7Very low29 Ų2981.8 Ų81.813%0.12743%0.428CS..Hα-helixtrans-65.4-40.4179.1-86.8-81.4000113.6I3 F4 M5 I10 L11 P187 L189I3-F7 HydrophobicContact CG2-CD2 3.57Å; I3-F7 HydrophobicContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact O-CD2 3.23Å; I3-F7 WeakPolarHBondContact O-CD2 3.46Å; I3-F7 PolarHBondContact O-N 3Å; F4-F7 PolarHBondContact O-N 3.33Å; M5-F7 VanDerWaalsContact C-N 3.3Å; M5-F7 PolarHBondContact O-N 3.06Å; F7-I10 PolarHBondContact O-N 3.07Å; F7-L11 WeakPolarHBondContact O-CB 3.46Å; F7-L11 WeakPolarHBondContact O-CG 3.04Å; F7-L11 PolarHBondContact O-N 2.91Å; F7-P187 WeakPolarHBondContact CE1-O 3.39Å; F7-P187 HydrophobicContact CE2-CG 4.36Å; F7-P187 HydrophobicContact CZ-CB 4.3Å; F7-P187 HydrophobicContact CZ-CG 3.94Å; F7-P187 WeakPolarHBondContact CZ-O 3.39Å; F7-L189 HydrophobicContact CE1-CB 4.25Å; F7-L189 HydrophobicContact CE2-CB 4.25Å; F7-L189 HydrophobicContact CZ-CB 4Å
8I39.5Very low36.7Very low68 Ų6882.8 Ų82.835%0.34943%0.43SS..Hα-helixtrans-71.5-39.8177.4-69.8169.4000111.1F4 M5 I10 L11 C12F4-I8 HydrophobicContact CD1-CD1 3.39Å; F4-I8 HydrophobicContact CD1-CG1 3.92Å; F4-I8 HydrophobicContact CE1-CD1 3.55Å; F4-I8 HydrophobicContact CE1-CG1 3.98Å; F4-I8 HydrophobicContact CG-CD1 4.5Å; F4-I8 WeakPolarHBondContact O-CB 3.32Å; F4-I8 WeakPolarHBondContact O-CG1 3.38Å; F4-I8 PolarHBondContact O-N 2.81Å; M5-I8 PolarHBondContact O-N 2.91Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 3.3Å; I8-C12 PolarHBondContact O-N 3.07Å
9S40.6Very low36.8Very low12 Ų1288.9 Ų88.98%0.08446%0.456CS..Hα-helixtrans-61.6-43.1174.270.20000110.3M5 C6 L11 C12 D13M5-S9 WeakPolarHBondContact O-CB 3.41Å; M5-S9 PolarHBondContact O-N 2.99Å; M5-S9 PolarHBondContact O-OG 3.48Å; C6-S9 PolarHBondContact O-OG 2.84Å; S9-L11 PolarHBondContact O-N 2.02Å; S9-C12 PolarHBondContact O-N 3.38Å; S9-D13 VanDerWaalsContact O-CG 3.23Å; S9-D13 PolarHBondContact O-N 2.05Å; S9-D13 VanDerWaalsContact O-OD2 3.06Å
10I39.4Very low37.2Very low51 Ų5190.7 Ų90.726%0.26247%0.465SS..Hα-helixtrans-63.1-38.1175.9-67162.7000111.9C6 F7 I8 D13 L14C6-I10 VanDerWaalsContact O-CB 3.31Å; C6-I10 WeakPolarHBondContact O-CB 3.42Å; C6-I10 WeakPolarHBondContact O-CD1 3.38Å; C6-I10 WeakPolarHBondContact O-CG1 3.09Å; C6-I10 PolarHBondContact O-N 3.39Å; F7-I10 PolarHBondContact O-N 3.07Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 2.91Å; I10-D13 PolarHBondContact O-N 3.1Å; I10-L14 WeakPolarHBondContact O-CD1 2.99Å; I10-L14 PolarHBondContact O-N 3.23Å
11L35.3Very low37.8Very low115 Ų11595.7 Ų95.760%0.60248%0.483SS*.Hα-helixtrans-67.4-32.6175.7-85.7158.2000113.1F7 I8 S9F7-L11 WeakPolarHBondContact O-CB 3.46Å; F7-L11 WeakPolarHBondContact O-CG 3.04Å; F7-L11 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 3.3Å; S9-L11 PolarHBondContact O-N 2.02Å
12C36.2Very low38.5Very low94 Ų9497.3 Ų97.364%0.63549%0.493SS*.Hα-helixtrans-72.8-30.3172-114.80000112.2I8 S9 L14 C15I8-C12 PolarHBondContact O-N 3.07Å; S9-C12 PolarHBondContact O-N 3.38Å; C12-L14 VanDerWaalsContact C-N 3.33Å; C12-L14 PolarHBondContact O-N 2.82Å; C12-C15 PolarHBondContact O-N 2.84Å
13D39.6Very low40.1Very low74 Ų7496.7 Ų96.740%0.39650%0.495SS..Hα-helixtrans-76.9-13.8179-68.2-35.6000113.4S9 I10 C15 L16S9-D13 VanDerWaalsContact O-CG 3.23Å; S9-D13 PolarHBondContact O-N 2.05Å; S9-D13 VanDerWaalsContact O-OD2 3.06Å; I10-D13 PolarHBondContact O-N 3.1Å; D13-C15 PolarHBondContact O-N 3.14Å; D13-L16 PolarHBondContact O-N 2.73Å
14L37.2Very low42Very low117 Ų117100.6 Ų100.661%0.61351%0.513SS*.THydrogen-bonded Turntrans-62.3-19.9169.8-101.499.8000113.1I10 C12I10-L14 WeakPolarHBondContact O-CD1 2.99Å; I10-L14 PolarHBondContact O-N 3.23Å; C12-L14 VanDerWaalsContact C-N 3.33Å; C12-L14 PolarHBondContact O-N 2.82Å
15C36.6Very low44.2Very low113 Ų11399.9 Ų99.976%0.76452%0.517SS*.THydrogen-bonded Turntrans-80.6-12.7178.1-740000114C12 D13C12-C15 PolarHBondContact O-N 2.84Å; D13-C15 PolarHBondContact O-N 3.14Å
16L32.8Very low46.5Very low115 Ų115100.4 Ų100.460%0.60252%0.519SS*.SBendtrans-129.7100.6-174-71.2162.3000110D13 Q18D13-L16 PolarHBondContact O-N 2.73Å; L16-Q18 VanDerWaalsContact C-N 3.34Å; L16-Q18 PolarHBondContact O-N 2.74Å
17H33.3Very low48.8Very low195 Ų195106.3 Ų106.390%0.90353%0.534SS*.  trans-55.376.9-179.8-85.359.9000114.5
18Q37.4Very low51.3Low100 Ų100105.4 Ų105.447%0.46753%0.531SS..  trans-134.2137.6169.6-71-170.7-2.300112.7L16 I20 T118L16-Q18 VanDerWaalsContact C-N 3.34Å; L16-Q18 PolarHBondContact O-N 2.74Å; Q18-I20 PolarHBondContact O-N 2.84Å; Q18-T118 PolarHBondContact NE2-O 2.8Å
19H37.4Very low53.7Low198 Ų198107 Ų10792%0.91754%0.537SS*.PPolyproline II helixtrans-51.9123179.6-82.5-95.8000111.9K21H19-K21 PolarHBondContact O-N 2.78Å
20I44.7Very low56.1Low124 Ų124109.7 Ų109.764%0.63655%0.55SS**PPolyproline II helixtrans-72.7120-171.7-59.1167.2000110.7Q18Q18-I20 PolarHBondContact O-N 2.84Å
21K50Low58.6Low196 Ų196108.8 Ų108.885%0.85255%0.553SS**PPolyproline II helixtrans-102.6129.8157.6-72.1-173-179.6-178.90108.4H19H19-K21 PolarHBondContact O-N 2.78Å
22Q51.3Low61.5Low182 Ų182108.1 Ų108.185%0.8555%0.547SS*.PPolyproline II helixtrans-57.4131.5177-166.4171.114.100109.8Q24Q22-Q24 PolarHBondContact O-N 2.91Å
23P64.7Low64.4Low50 Ų50107.5 Ų107.533%0.32554%0.542SS..PPolyproline II helixtrans-64.3136.6-176.622.5-30.8000110.6V25 M107 G122P23-V25 PolarHBondContact O-N 2.91Å; P23-M107 HydrophobicContact CB-CE 3.89Å; P23-M107 HydrophobicContact CG-CE 4.11Å; P23-G122 WeakPolarHBondContact CA-O 3.42Å; P23-G122 VanDerWaalsContact CB-O 3.26Å; P23-G122 WeakPolarHBondContact CB-O 3.45Å
24Q75.9Confident67Low119 Ų119104.6 Ų104.656%0.55653%0.527SS*.EExtended strand (participates in β ladder)trans-63.2135.5178.5-178.5-176.9-14.500110.1Q22 I26 A123 Y124Q22-Q24 PolarHBondContact O-N 2.91Å; Q24-I26 HydrophobicContact CG-CG1 4.22Å; Q24-A123 HydrophobicContact CB-CB 4.28Å; Q24-A123 CarbonylContact O-C 3.43Å; Q24-A123 WeakPolarHBondContact O-CA 3.35Å; Q24-A123 WeakPolarHBondContact O-CB 3.49Å; Q24-Y124 PolarHBondContact O-N 2.89Å
25V81.9Confident69.8Low85 Ų85102 Ų10252%0.51552%0.516SS..EExtended strand (participates in β ladder)trans-98.7118.1173.9-179.40000109.6P23 R27 Y124P23-V25 PolarHBondContact O-N 2.91Å; V25-R27 HydrophobicContact CG1-CG 4.34Å; V25-Y124 WeakPolarHBondContact CA-O 3.34Å; V25-Y124 HydrophobicContact CG1-CD1 4.46Å
26I85.2Confident72.6Confident21 Ų2196.8 Ų96.811%0.10848%0.48CS..EExtended strand (participates in β ladder)trans-106.8126178.7-58.1170.3000107.9Q24 V34 V36 A123 Y124 L125 S126Q24-I26 HydrophobicContact CG-CG1 4.22Å; I26-V34 HydrophobicContact CG2-CG2 3.5Å; I26-V36 HydrophobicContact CD1-CB 4.15Å; I26-V36 HydrophobicContact CD1-CG1 3.95Å; I26-V36 HydrophobicContact CD1-CG2 3.95Å; I26-A123 HydrophobicContact CD1-CB 4.02Å; I26-Y124 PolarHBondContact N-O 3.13Å; I26-L125 HydrophobicContact CB-CD1 4.09Å; I26-L125 HydrophobicContact CG2-CD1 3.9Å; I26-S126 PolarHBondContact O-N 2.95Å
27R87.4Confident75.4Confident175 Ų17594 Ų9466%0.6647%0.468SS*.EExtended strand (participates in β ladder)trans-110.9123.3-178.7-62.6-178.6-178.9161.5-0.5110.7V25 S126 K128V25-R27 HydrophobicContact CG1-CG 4.34Å; R27-S126 VanDerWaalsContact CA-O 3.31Å; R27-S126 WeakPolarHBondContact CA-O 3.46Å; R27-K128 HydrophobicContact CB-CD 4.29Å; R27-K128 HydrophobicContact CB-CG 4.14Å
28V91Very high78Confident10 Ų1084.9 Ų84.96%0.06143%0.427CS..EExtended strand (participates in β ladder)trans-129.5145.9-178.968.50000111.3Q32 V34 A100 L125 S126 L127 K128V28-Q32 HydrophobicContact CG2-CB 3.89Å; V28-V34 HydrophobicContact CB-CB 3.93Å; V28-V34 HydrophobicContact CB-CG1 4.24Å; V28-V34 HydrophobicContact CB-CG2 4.15Å; V28-V34 HydrophobicContact CG1-CB 4.31Å; V28-V34 HydrophobicContact CG1-CG1 4.07Å; V28-V34 HydrophobicContact CG2-CB 3.71Å; V28-V34 HydrophobicContact CG2-CG1 4.12Å; V28-V34 HydrophobicContact CG2-CG2 4.41Å; V28-A100 HydrophobicContact CG1-CB 3.85Å; V28-A100 HydrophobicContact CG2-CB 4.14Å; V28-L125 HydrophobicContact CB-CD1 4.39Å; V28-L125 HydrophobicContact CG1-CD1 3.79Å; V28-L125 HydrophobicContact CG1-CD2 4.46Å; V28-L125 HydrophobicContact CG1-CG 4.25Å; V28-S126 PolarHBondContact N-O 3.34Å; V28-L127 HydrophobicContact CG1-CD2 3.63Å; V28-L127 CarbonylContact O-C 3.51Å; V28-L127 WeakPolarHBondContact O-CA 3.29Å; V28-K128 PolarHBondContact O-N 2.85Å
29Q90.6Very high80.2Confident101 Ų10185.3 Ų85.347%0.47244%0.436SS..EExtended strand (participates in β ladder)trans-81.3151.5170.8-72177.8-22.500111.4G31 Q32 K128Q29-G31 PolarHBondContact O-N 3.02Å; Q29-Q32 HydrophobicContact CB-CG 3.98Å; Q29-Q32 WeakPolarHBondContact O-CB 3.33Å; Q29-Q32 PolarHBondContact O-N 3.39Å; Q29-Q32 VanDerWaalsContact O-N 3.14Å; Q29-K128 HydrophobicContact CG-CB 4.05Å; Q29-K128 HydrophobicContact CG-CD 4.46Å
30L91Very high82.1Confident69 Ų6976.7 Ų76.736%0.36140%0.396SS..THydrogen-bonded Turntrans-54.8137174.9-72.6171.5000111.5Q32 T102 L127L30-Q32 PolarHBondContact O-N 3.21Å; L30-T102 HydrophobicContact CD2-CG2 4.02Å; L30-L127 HydrophobicContact CD2-CD1 4.06Å; L30-L127 HydrophobicContact CD2-CD2 4.32Å
31G91.9Very high83.3Confident31 Ų3173.8 Ų73.832%0.3239%0.387SS..THydrogen-bonded Turntrans79-10-179.700000115.4Q29 A100Q29-G31 PolarHBondContact O-N 3.02Å; G31-A100 PolarHBondContact N-O 3.32Å
32Q94.9Very high83.7Confident102 Ų10272.3 Ų72.348%0.47738%0.383SS..  trans-83.9148.9177.3-64.7-61.5-44.600111.2V28 Q29 L30 A100V28-Q32 HydrophobicContact CG2-CB 3.89Å; Q29-Q32 HydrophobicContact CB-CG 3.98Å; Q29-Q32 WeakPolarHBondContact O-CB 3.33Å; Q29-Q32 PolarHBondContact O-N 3.39Å; Q29-Q32 VanDerWaalsContact O-N 3.14Å; L30-Q32 PolarHBondContact O-N 3.21Å; Q32-A100 VanDerWaalsContact O-CB 3.24Å; Q32-A100 WeakPolarHBondContact O-CB 3.43Å; Q32-A100 PolarHBondContact O-N 2.73Å
33P96.8Very high83.9Confident80 Ų8067.2 Ų67.252%0.51937%0.372SS..  trans-70149.7169.529.4-33.4000110.7I97P33-I97 CarbonylContact C-O 3.56Å; P33-I97 WeakPolarHBondContact CA-O 3.45Å
34V95.9Very high83.6Confident14 Ų1465.3 Ų65.39%0.08536%0.359CS..EExtended strand (participates in β ladder)trans-145.6142.6174.657.20000110.9I26 V28 T96 I97 L125I26-V34 HydrophobicContact CG2-CG2 3.5Å; V28-V34 HydrophobicContact CB-CB 3.93Å; V28-V34 HydrophobicContact CB-CG1 4.24Å; V28-V34 HydrophobicContact CB-CG2 4.15Å; V28-V34 HydrophobicContact CG1-CB 4.31Å; V28-V34 HydrophobicContact CG1-CG1 4.07Å; V28-V34 HydrophobicContact CG2-CB 3.71Å; V28-V34 HydrophobicContact CG2-CG1 4.12Å; V28-V34 HydrophobicContact CG2-CG2 4.41Å; V34-T96 CarbonylContact O-C 3.54Å; V34-T96 VanDerWaalsContact O-CA 3.29Å; V34-T96 WeakPolarHBondContact O-CA 3Å; V34-I97 HydrophobicContact CG1-CB 3.87Å; V34-I97 HydrophobicContact CG1-CD1 3.96Å; V34-I97 HydrophobicContact CG1-CG1 4.29Å; V34-I97 PolarHBondContact N-O 3.14Å; V34-I97 PolarHBondContact O-N 2.99Å; V34-L125 HydrophobicContact CB-CD1 4.36Å; V34-L125 HydrophobicContact CG1-CD1 3.9Å; V34-L125 HydrophobicContact CG1-CD2 4.04Å; V34-L125 HydrophobicContact CG2-CD1 3.68Å
35T96.3Very high82.6Confident62 Ų6266.2 Ų66.238%0.3836%0.364SS..EExtended strand (participates in β ladder)trans-117.2130178-570000110N94 L95 T96T35-N94 HydrophobicContact CG2-CB 3.73Å; T35-L95 CarbonylContact C-O 3.58Å; T35-L95 WeakPolarHBondContact CA-O 3.33Å; T35-T96 PolarHBondContact OG1-OG1 3.41Å
36V94.3Very high81.4Confident3 Ų366 Ų662%0.01837%0.366CS..EExtended strand (participates in β ladder)trans-101.6123.2170.6-172.50000107.9I26 W52 N94 L95 Y108 A123I26-V36 HydrophobicContact CD1-CB 4.15Å; I26-V36 HydrophobicContact CD1-CG1 3.95Å; I26-V36 HydrophobicContact CD1-CG2 3.95Å; V36-W52 HydrophobicContact CB-CH2 4.16Å; V36-W52 HydrophobicContact CB-CZ3 4.26Å; V36-W52 HydrophobicContact CG1-CH2 3.81Å; V36-W52 HydrophobicContact CG1-CZ3 3.81Å; V36-N94 WeakPolarHBondContact O-CA 3.49Å; V36-L95 PolarHBondContact N-O 2.86Å; V36-L95 PolarHBondContact O-N 3.37Å; V36-Y108 HydrophobicContact CG2-CG 4.48Å; V36-A123 HydrophobicContact CG1-CB 3.67Å
37T91.8Very high80.4Confident56 Ų5668.2 Ų68.234%0.34438%0.38SS..EExtended strand (participates in β ladder)trans-108.1134.2-175.6-610000111V39 M92 N94T37-V39 HydrophobicContact CG2-CG2 4.31Å; T37-M92 HydrophobicContact CG2-CB 4.24Å; T37-M92 HydrophobicContact CG2-SD 3.96Å; T37-N94 WeakPolarHBondContact CA-OD1 3.21Å; T37-N94 VanDerWaalsContact CB-OD1 3.27Å; T37-N94 WeakPolarHBondContact CB-OD1 3.5Å; T37-N94 VanDerWaalsContact CG2-OD1 3.22Å; T37-N94 WeakPolarHBondContact CG2-OD1 3.35Å; T37-N94 PolarHBondContact OG1-OD1 3.23Å
38C87.4Confident79.5Confident5 Ų561.8 Ų61.83%0.03436%0.362CS..EExtended strand (participates in β ladder)trans-117.4109.7175179.90000109W52 M92 S93 C110C38-W52 HydrophobicContact CB-CH2 3.8Å; C38-W52 HydrophobicContact CB-CZ2 3.72Å; C38-M92 CarbonylContact O-C 3.54Å; C38-M92 WeakPolarHBondContact O-CA 3.31Å; C38-M92 VanDerWaalsContact O-CB 3.28Å; C38-M92 WeakPolarHBondContact O-CB 3.05Å; C38-S93 PolarHBondContact N-O 2.99Å; C38-S93 PolarHBondContact O-N 3.33Å; C38-C110 HydrophobicContact CB-CB 3.49Å; C38-C110 VanDerWaalsContact CB-CB 3.49Å; C38-C110 WeakPolarHBondContact CB-SG 3.21Å; C38-C110 WeakPolarHBondContact SG-CB 3.49Å; C38-C110 CovalentContact SG-SG 2.02Å; C38-C110 PolarHBondContact SG-SG 2.96Å
39V84.6Confident79.1Confident109 Ų10964 Ų6466%0.66137%0.369SS*.EExtended strand (participates in β ladder)trans-83.5130.6178.6-176.70000109.6T37T37-V39 HydrophobicContact CG2-CG2 4.31Å
40L77.2Confident79Confident16 Ų1659.2 Ų59.28%0.08435%0.347CS..PPolyproline II helixtrans-95.9143-179.7-65.9150.5000110.6L44 L50 Y88 K91 Y112 M119L40-L44 HydrophobicContact CD2-CD1 4.21Å; L40-L50 HydrophobicContact CD1-CD1 4.48Å; L40-L50 HydrophobicContact CD2-CD1 4.32Å; L40-Y88 HydrophobicContact CD1-CD2 3.93Å; L40-Y88 HydrophobicContact CD1-CE2 3.36Å; L40-K91 WeakPolarHBondContact CB-O 3.49Å; L40-K91 PolarHBondContact N-O 2.88Å; L40-Y112 HydrophobicContact CD2-CG 4.41Å; L40-M119 HydrophobicContact CB-CE 4.34Å; L40-M119 HydrophobicContact CD2-CE 3.92Å; L40-M119 HydrophobicContact CG-CE 4.48Å
41S68.6Low79Confident64 Ų6458.1 Ų58.145%0.44834%0.338SS..PPolyproline II helixtrans-77145.2171.8-172.40000110.6A43 L44S41-A43 PolarHBondContact O-N 2.87Å; S41-L44 WeakPolarHBondContact O-CB 3.37Å; S41-L44 WeakPolarHBondContact O-CG 3.45Å; S41-L44 PolarHBondContact O-N 2.89Å
42E58.5Low79.1Confident165 Ų16556.8 Ų56.877%0.77132%0.323SS*.G310 helixtrans-59.6-19-172.7-68.1-176.3166.300114.5L44 Q45E42-L44 PolarHBondContact O-N 3.21Å; E42-L44 VanDerWaalsContact O-N 3.14Å; E42-Q45 WeakPolarHBondContact O-CG 3.15Å; E42-Q45 PolarHBondContact O-NE2 2.95Å
43A56.6Low79.1Confident75 Ų7554.6 Ų54.662%0.6231%0.311SS*.G310 helixtrans-72.42.8-179.500000115S41S41-A43 PolarHBondContact O-N 2.87Å
44L57.3Low78.9Confident10 Ų1051.5 Ų51.55%0.05229%0.289CS..G310 helixtrans-113.521.7-163.6-55.7173000114.3L40 S41 E42 S46 Y112 N114 M119L40-L44 HydrophobicContact CD2-CD1 4.21Å; S41-L44 WeakPolarHBondContact O-CB 3.37Å; S41-L44 WeakPolarHBondContact O-CG 3.45Å; S41-L44 PolarHBondContact O-N 2.89Å; E42-L44 PolarHBondContact O-N 3.21Å; E42-L44 VanDerWaalsContact O-N 3.14Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 2.87Å; L44-Y112 HydrophobicContact CB-CD1 4.19Å; L44-Y112 HydrophobicContact CB-CE1 3.61Å; L44-Y112 HydrophobicContact CD1-CD1 3.8Å; L44-Y112 HydrophobicContact CD1-CE1 4.07Å; L44-Y112 HydrophobicContact CD2-CD1 3.88Å; L44-Y112 HydrophobicContact CD2-CE1 3.55Å; L44-Y112 HydrophobicContact CG-CD1 4.15Å; L44-Y112 HydrophobicContact CG-CE1 3.9Å; L44-Y112 PolarHBondContact O-OH 3.04Å; L44-N114 HydrophobicContact CD2-CB 4.45Å; L44-M119 HydrophobicContact CD1-CE 3.61Å; L44-M119 HydrophobicContact CD1-SD 4.29Å
45Q55.8Low78.6Confident138 Ų13851.7 Ų51.765%0.64529%0.289SS*.  trans-73-9.6-168.7-67.9173.331.900116.2E42E42-Q45 WeakPolarHBondContact O-CG 3.15Å; E42-Q45 PolarHBondContact O-NE2 2.95Å
46S57.2Low78Confident80 Ų8050.1 Ų50.156%0.55928%0.281SS*.SBendtrans-105.8100.9178.9460000111.3L44 Y112L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 2.87Å; S46-Y112 PolarHBondContact O-OH 3.35Å
47V63.3Low77Confident67 Ų6752.9 Ų52.941%0.40630%0.304SS..  trans-55134.6-164-178.70000115.2R68 K69V47-R68 HydrophobicContact CG1-CB 4.2Å; V47-R68 HydrophobicContact CG1-CG 4.2Å; V47-K69 HydrophobicContact CG2-CB 3.69Å; V47-K69 HydrophobicContact CG2-CD 4.28Å
48S69.8Low76Confident40 Ų4053.2 Ų53.228%0.2832%0.319SS..  trans-110.5-80.9157.3178.30000110.4L113S48-L113 WeakPolarHBondContact CB-O 3.41Å; S48-L113 PolarHBondContact OG-O 2.65Å
49W81.9Confident75.4Confident57 Ų5755.6 Ų55.622%0.21633%0.332CS..  trans-165.9149.2173.2-83.494.1000108.3Y51 M66 R68 I74 Y112W49-Y51 HydrophobicContact CB-CD2 4.34Å; W49-Y51 HydrophobicContact CB-CE1 4.48Å; W49-Y51 HydrophobicContact CB-CE2 3.45Å; W49-Y51 VanDerWaalsContact CB-CE2 3.45Å; W49-Y51 WeakPolarHBondContact CB-OH 3.34Å; W49-M66 HydrophobicContact CD2-CE 3.58Å; W49-M66 HydrophobicContact CE3-CB 4.25Å; W49-M66 HydrophobicContact CE3-CE 3.29Å; W49-M66 HydrophobicContact CE3-CG 4.28Å; W49-M66 HydrophobicContact CG-CE 4.27Å; W49-M66 HydrophobicContact CH2-CE 3.91Å; W49-M66 HydrophobicContact CZ2-CE 4.16Å; W49-M66 HydrophobicContact CZ3-CB 4.49Å; W49-M66 HydrophobicContact CZ3-CE 3.47Å; W49-M66 VanDerWaalsContact CZ3-CE 3.47Å; W49-M66 HydrophobicContact CZ3-CG 4.09Å; W49-R68 HydrophobicContact CD2-CG 3.79Å; W49-R68 VanDerWaalsContact CE2-NE 3.3Å; W49-R68 HydrophobicContact CE3-CG 3.87Å; W49-R68 HydrophobicContact CG-CG 4.41Å; W49-R68 HydrophobicContact CH2-CG 4.14Å; W49-R68 HydrophobicContact CZ2-CG 4.06Å; W49-R68 HydrophobicContact CZ3-CG 4.05Å; W49-I74 HydrophobicContact CH2-CD1 3.94Å; W49-I74 HydrophobicContact CZ3-CD1 4.19Å; W49-Y112 WeakPolarHBondContact O-CD2 3.44Å
50L88.4Confident75.4Confident0 Ų055.2 Ų55.20%033%0.33CS..EExtended strand (participates in β ladder)trans-109.6136.1169.7-172.9141.2000110.2L40 W52 M66 L67 Y88 S93L40-L50 HydrophobicContact CD1-CD1 4.48Å; L40-L50 HydrophobicContact CD2-CD1 4.32Å; L50-W52 VanDerWaalsContact CD2-CD1 3.45Å; L50-W52 HydrophobicContact CD2-CG 4.41Å; L50-M66 CarbonylContact O-C 3.57Å; L50-M66 WeakPolarHBondContact O-CA 3.46Å; L50-L67 HydrophobicContact CB-CD2 4.27Å; L50-L67 HydrophobicContact CD2-CD2 3.82Å; L50-L67 PolarHBondContact N-O 2.83Å; L50-L67 PolarHBondContact O-N 3.33Å; L50-Y88 HydrophobicContact CB-CD1 4.11Å; L50-Y88 HydrophobicContact CB-CE1 4.19Å; L50-Y88 HydrophobicContact CD1-CD2 4.17Å; L50-Y88 HydrophobicContact CD1-CE2 4.31Å; L50-Y88 HydrophobicContact CD1-CG 4.45Å; L50-S93 VanDerWaalsContact CD1-CB 3.4Å; L50-S93 VanDerWaalsContact CD2-OG 3.32Å; L50-S93 WeakPolarHBondContact CD2-OG 3.49Å
51Y91Very high75.8Confident47 Ų4758.1 Ų58.118%0.18435%0.345CS..EExtended strand (participates in β ladder)trans-122.1136.8-178.1-54.6-96.4000110.2W49 Y53 L63 M66 C110 A111 L113W49-Y51 HydrophobicContact CB-CD2 4.34Å; W49-Y51 HydrophobicContact CB-CE1 4.48Å; W49-Y51 HydrophobicContact CB-CE2 3.45Å; W49-Y51 VanDerWaalsContact CB-CE2 3.45Å; W49-Y51 WeakPolarHBondContact CB-OH 3.34Å; Y51-Y53 VanDerWaalsContact CB-CE2 3.46Å; Y51-Y53 HydrophobicContact CG-CE2 4.28Å; Y51-L63 HydrophobicContact CD1-CD1 4.07Å; Y51-M66 HydrophobicContact CD1-CB 3.65Å; Y51-M66 HydrophobicContact CD1-CE 4.36Å; Y51-M66 HydrophobicContact CD1-SD 4.32Å; Y51-M66 HydrophobicContact CE1-CB 3.96Å; Y51-M66 HydrophobicContact CE1-CE 3.49Å; Y51-M66 VanDerWaalsContact CE1-CE 3.49Å; Y51-M66 HydrophobicContact CE1-SD 3.88Å; Y51-M66 HydrophobicContact CG-CB 4.39Å; Y51-C110 CarbonylContact O-C 3.56Å; Y51-C110 WeakPolarHBondContact O-CA 2.89Å; Y51-A111 PolarHBondContact N-O 2.91Å; Y51-A111 PolarHBondContact O-N 3.14Å; Y51-L113 HydrophobicContact CD2-CD1 4.32Å; Y51-L113 HydrophobicContact CE2-CD1 4.25Å
52W94.3Very high77Confident2 Ų259.6 Ų59.61%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-110.5125.8168.6-81.198.3000109.7V36 C38 L50 V64 S65 S93 L95 H109 C110V36-W52 HydrophobicContact CB-CH2 4.16Å; V36-W52 HydrophobicContact CB-CZ3 4.26Å; V36-W52 HydrophobicContact CG1-CH2 3.81Å; V36-W52 HydrophobicContact CG1-CZ3 3.81Å; C38-W52 HydrophobicContact CB-CH2 3.8Å; C38-W52 HydrophobicContact CB-CZ2 3.72Å; L50-W52 VanDerWaalsContact CD2-CD1 3.45Å; L50-W52 HydrophobicContact CD2-CG 4.41Å; W52-V64 HydrophobicContact CB-CB 4.23Å; W52-V64 WeakPolarHBondContact O-CB 3.4Å; W52-V64 PolarHBondContact O-N 2.87Å; W52-S65 PolarHBondContact N-O 2.75Å; W52-S65 PolarHBondContact O-N 2.81Å; W52-S93 PolarHBondContact NE1-OG 3.08Å; W52-L95 HydrophobicContact CB-CD2 4.22Å; W52-L95 HydrophobicContact CD2-CB 3.65Å; W52-L95 HydrophobicContact CD2-CD2 3.96Å; W52-L95 HydrophobicContact CD2-CG 4.35Å; W52-L95 HydrophobicContact CE3-CB 3.98Å; W52-L95 HydrophobicContact CE3-CD2 3.82Å; W52-L95 HydrophobicContact CG-CB 4.09Å; W52-L95 HydrophobicContact CG-CD2 4.16Å; W52-L95 HydrophobicContact CG-CG 4.49Å; W52-L95 HydrophobicContact CH2-CB 4.21Å; W52-L95 HydrophobicContact CZ2-CB 3.91Å; W52-L95 HydrophobicContact CZ3-CB 4.25Å; W52-L95 HydrophobicContact CZ3-CD2 4.49Å; W52-H109 CarbonylContact C-O 3.53Å; W52-H109 WeakPolarHBondContact CA-O 3.23Å; W52-C110 HydrophobicContact CD2-CB 4.18Å; W52-C110 HydrophobicContact CE3-CB 4.11Å; W52-C110 HydrophobicContact CH2-CB 3.91Å; W52-C110 HydrophobicContact CZ2-CB 3.97Å; W52-C110 HydrophobicContact CZ3-CB 3.98Å
53Y94.1Very high78.7Confident56 Ų5654 Ų5422%0.2232%0.318CS..EExtended strand (participates in β ladder)trans-116150.5174.5-63.1-85.2000110.7Y51 L61 K62 L63 Y108 H109 A111 W120Y51-Y53 VanDerWaalsContact CB-CE2 3.46Å; Y51-Y53 HydrophobicContact CG-CE2 4.28Å; Y53-L61 HydrophobicContact CD1-CB 4.42Å; Y53-L61 HydrophobicContact CG-CD2 4.35Å; Y53-K62 CarbonylContact C-O 3.29Å; Y53-K62 VanDerWaalsContact CA-O 3.28Å; Y53-K62 WeakPolarHBondContact CA-O 3.48Å; Y53-L63 HydrophobicContact CD1-CB 4.16Å; Y53-L63 HydrophobicContact CD1-CD1 4.21Å; Y53-L63 HydrophobicContact CE1-CB 3.91Å; Y53-L63 HydrophobicContact CE1-CD1 3.72Å; Y53-L63 HydrophobicContact CE1-CG 4.43Å; Y53-Y108 CarbonylContact O-C 3.58Å; Y53-Y108 WeakPolarHBondContact O-CA 3.48Å; Y53-H109 PolarHBondContact N-O 3.3Å; Y53-H109 PolarHBondContact O-N 3.06Å; Y53-A111 HydrophobicContact CE2-CB 4.2Å; Y53-W120 AromaticContact CD2-CH2 3.65Å; Y53-W120 HydrophobicContact CD2-CH2 3.65Å; Y53-W120 HydrophobicContact CD2-CZ3 4.08Å; Y53-W120 HydrophobicContact CE2-CH2 4.1Å; Y53-W120 HydrophobicContact CE2-CZ3 4.15Å; Y53-W120 HydrophobicContact CG-CH2 4.35Å
54K93.9Very high80.6Confident15 Ų1550.5 Ų50.57%0.06529%0.289CS..EExtended strand (participates in β ladder)trans-118.7137.8170.1179-175.1176.2-170.40109S56 K62 V64 F79 E103 D104 M107 Y108K54-S56 WeakPolarHBondContact CE-OG 3.35Å; K54-K62 PolarHBondContact N-O 2.89Å; K54-K62 PolarHBondContact O-N 2.91Å; K54-V64 HydrophobicContact CB-CG2 3.54Å; K54-F79 HydrophobicContact CB-CZ 4.46Å; K54-F79 HydrophobicContact CD-CE1 4.15Å; K54-F79 HydrophobicContact CD-CZ 4.2Å; K54-E103 WeakPolarHBondContact CE-O 3.34Å; K54-E103 PolarHBondContact NZ-O 2.65Å; K54-D104 IonicContact NZ-OD1 3.45Å; K54-M107 CarbonylContact C-O 3.54Å; K54-M107 WeakPolarHBondContact CA-O 3.39Å; K54-Y108 HydrophobicContact CB-CD1 4.27Å; K54-Y108 HydrophobicContact CB-CE1 4.06Å; K54-Y108 HydrophobicContact CD-CE1 4.09Å; K54-Y108 HydrophobicContact CG-CD1 4.48Å; K54-Y108 HydrophobicContact CG-CE1 4.01Å; K54-Y108 HydrophobicContact CG-CE2 4.43Å
55Q87.9Confident82.5Confident18 Ų1850 Ų508%0.08429%0.286CS..EExtended strand (participates in β ladder)trans-124.6108.5172.3-163.5-173.913.900108.9M5 L61 M107M5-Q55 HydrophobicContact CE-CG 3.63Å; M5-Q55 HydrophobicContact SD-CG 4.29Å; Q55-L61 HydrophobicContact CB-CD2 4.04Å; Q55-L61 HydrophobicContact CB-CG 4.49Å; Q55-M107 HydrophobicContact CB-CB 4.22Å; Q55-M107 PolarHBondContact N-O 2.89Å; Q55-M107 PolarHBondContact O-N 3.04Å
56S84.1Confident84.2Confident29 Ų2945.1 Ų45.120%0.20326%0.264CS..  trans-83.4157.4174-610000110.7M5 K54 G58 D59M5-S56 VanDerWaalsContact CE-O 3.24Å; M5-S56 WeakPolarHBondContact CE-O 2.97Å; K54-S56 WeakPolarHBondContact CE-OG 3.35Å; S56-G58 PolarHBondContact O-N 2.93Å; S56-G58 VanDerWaalsContact O-N 3.14Å; S56-D59 WeakPolarHBondContact O-CB 3.05Å; S56-D59 PolarHBondContact O-N 2.81Å
57A73Confident85.8Confident61 Ų6141.4 Ų41.450%0.50424%0.238SC..THydrogen-bonded Turntrans-54.6118.3176.400000112.4M5 D59M5-A57 HydrophobicContact CG-CB 4.22Å; M5-A57 WeakPolarHBondContact SD-CA 3.4Å; M5-A57 HydrophobicContact SD-CB 4.37Å; A57-D59 VanDerWaalsContact C-N 3.31Å
58G70.5Confident86.9Confident64 Ų6444 Ų4466%0.6624%0.241SC*.THydrogen-bonded Turntrans807.3-179.600000115S56S56-G58 PolarHBondContact O-N 2.93Å; S56-G58 VanDerWaalsContact O-N 3.14Å
59D76.5Confident87.4Confident55 Ų5544.8 Ų44.829%0.29424%0.239SC..  trans-114.1164.2-177.5-153.4-8.6000111.7S56 A57 K62S56-D59 WeakPolarHBondContact O-CB 3.05Å; S56-D59 PolarHBondContact O-N 2.81Å; A57-D59 VanDerWaalsContact C-N 3.31Å; D59-K62 WeakPolarHBondContact OD1-CE 3.35Å; D59-K62 IonicContact OD1-NZ 3.88Å; D59-K62 PolarHBondContact OD1-NZ 2.04Å; D59-K62 WeakPolarHBondContact OD2-CE 3.46Å; D59-K62 IonicContact OD2-NZ 3.37Å; D59-K62 PolarHBondContact OD2-NZ 2.8Å
60T82.8Confident87.2Confident101 Ų10148.4 Ų48.462%0.6226%0.262SS*.  trans-84.1168.6173.659.20000111.5K62T60-K62 PolarHBondContact O-N 3.22Å
61L87.1Confident87.2Confident77 Ų7751.6 Ų51.640%0.40328%0.282SS..  trans-62.8122.1174-78.9157.3000110.2Y53 Q55 H109 W120Y53-L61 HydrophobicContact CD1-CB 4.42Å; Y53-L61 HydrophobicContact CG-CD2 4.35Å; Q55-L61 HydrophobicContact CB-CD2 4.04Å; Q55-L61 HydrophobicContact CB-CG 4.49Å; L61-H109 VanDerWaalsContact CD2-CD2 3.49Å; L61-H109 WeakPolarHBondContact CD2-CD2 3.44Å; L61-W120 HydrophobicContact CD1-CH2 4.4Å; L61-W120 HydrophobicContact CD1-CZ2 4.32Å; L61-W120 HydrophobicContact CD2-CZ2 4.28Å
62K93.2Very high87.2Confident95 Ų9556.3 Ų56.341%0.41331%0.31SS..EExtended strand (participates in β ladder)trans-110.9130.4175.9-69.8177.3174.5170.90110Y53 K54 D59 T60 V64 F79Y53-K62 CarbonylContact C-O 3.29Å; Y53-K62 VanDerWaalsContact CA-O 3.28Å; Y53-K62 WeakPolarHBondContact CA-O 3.48Å; K54-K62 PolarHBondContact N-O 2.89Å; K54-K62 PolarHBondContact O-N 2.91Å; D59-K62 WeakPolarHBondContact OD1-CE 3.35Å; D59-K62 IonicContact OD1-NZ 3.88Å; D59-K62 PolarHBondContact OD1-NZ 2.04Å; D59-K62 WeakPolarHBondContact OD2-CE 3.46Å; D59-K62 IonicContact OD2-NZ 3.37Å; D59-K62 PolarHBondContact OD2-NZ 2.8Å; T60-K62 PolarHBondContact O-N 3.22Å; K62-V64 PolarHBondContact O-N 2.99Å; K62-F79 HydrophobicContact CB-CE2 4.14Å; K62-F79 HydrophobicContact CB-CZ 4.41Å
63L94.7Very high87.1Confident48 Ų4857.5 Ų57.525%0.25132%0.318SS..EExtended strand (participates in β ladder)trans-67.6118.5176.4-178.769.3000109.6Y51 Y53 M66 G76 F79Y51-L63 HydrophobicContact CD1-CD1 4.07Å; Y53-L63 HydrophobicContact CD1-CB 4.16Å; Y53-L63 HydrophobicContact CD1-CD1 4.21Å; Y53-L63 HydrophobicContact CE1-CB 3.91Å; Y53-L63 HydrophobicContact CE1-CD1 3.72Å; Y53-L63 HydrophobicContact CE1-CG 4.43Å; L63-M66 HydrophobicContact CD2-SD 4.3Å; L63-G76 WeakPolarHBondContact O-CA 3.39Å; L63-F79 WeakPolarHBondContact O-CD2 3.24Å; L63-F79 WeakPolarHBondContact O-CE2 3.38Å
64V96.8Very high87.2Confident0 Ų059.4 Ų59.40%033%0.331CS..EExtended strand (participates in β ladder)trans-82.7-55.8174179.90000109.4W52 K54 K62 Y75 G76 F79 F84 L95W52-V64 HydrophobicContact CB-CB 4.23Å; W52-V64 WeakPolarHBondContact O-CB 3.4Å; W52-V64 PolarHBondContact O-N 2.87Å; K54-V64 HydrophobicContact CB-CG2 3.54Å; K62-V64 PolarHBondContact O-N 2.99Å; V64-Y75 WeakPolarHBondContact O-CA 3.3Å; V64-Y75 WeakPolarHBondContact O-CD1 3.46Å; V64-G76 PolarHBondContact O-N 3.41Å; V64-F79 HydrophobicContact CB-CD1 4.23Å; V64-F79 HydrophobicContact CB-CE1 4.4Å; V64-F79 HydrophobicContact CB-CG 4.39Å; V64-F79 HydrophobicContact CG1-CB 4.46Å; V64-F79 HydrophobicContact CG1-CD1 3.78Å; V64-F79 HydrophobicContact CG1-CE1 4.26Å; V64-F79 HydrophobicContact CG1-CG 4.14Å; V64-F79 HydrophobicContact CG2-CD1 4.14Å; V64-F79 HydrophobicContact CG2-CE1 3.81Å; V64-F79 HydrophobicContact CG2-CE2 4.44Å; V64-F79 HydrophobicContact CG2-CZ 3.98Å; V64-F79 WeakPolarHBondContact O-CB 3.2Å; V64-F84 HydrophobicContact CG1-CD1 3.94Å; V64-F84 HydrophobicContact CG1-CE1 4.31Å; V64-F84 HydrophobicContact CG1-CG 4.22Å; V64-L95 HydrophobicContact CG1-CD1 3.9Å; V64-L95 HydrophobicContact CG1-CD2 4.16Å
65S95.5Very high87.3Confident0 Ų061.1 Ų61.10%034%0.338CS..EExtended strand (participates in β ladder)trans-157.7154.3-179.564.10000111.8W52 I74 T86W52-S65 PolarHBondContact N-O 2.75Å; W52-S65 PolarHBondContact O-N 2.81Å; S65-I74 CarbonylContact C-O 3.58Å; S65-I74 WeakPolarHBondContact CA-O 3.37Å; S65-T86 PolarHBondContact OG-OG1 2.93Å
66M93.3Very high87.7Confident35 Ų3560.7 Ų60.717%0.17234%0.338CS..EExtended strand (participates in β ladder)trans-132.1144.6167.363.1-174.5-72.500110.7W49 L50 Y51 L63 I74W49-M66 HydrophobicContact CD2-CE 3.58Å; W49-M66 HydrophobicContact CE3-CB 4.25Å; W49-M66 HydrophobicContact CE3-CE 3.29Å; W49-M66 HydrophobicContact CE3-CG 4.28Å; W49-M66 HydrophobicContact CG-CE 4.27Å; W49-M66 HydrophobicContact CH2-CE 3.91Å; W49-M66 HydrophobicContact CZ2-CE 4.16Å; W49-M66 HydrophobicContact CZ3-CB 4.49Å; W49-M66 HydrophobicContact CZ3-CE 3.47Å; W49-M66 VanDerWaalsContact CZ3-CE 3.47Å; W49-M66 HydrophobicContact CZ3-CG 4.09Å; L50-M66 CarbonylContact O-C 3.57Å; L50-M66 WeakPolarHBondContact O-CA 3.46Å; Y51-M66 HydrophobicContact CD1-CB 3.65Å; Y51-M66 HydrophobicContact CD1-CE 4.36Å; Y51-M66 HydrophobicContact CD1-SD 4.32Å; Y51-M66 HydrophobicContact CE1-CB 3.96Å; Y51-M66 HydrophobicContact CE1-CE 3.49Å; Y51-M66 VanDerWaalsContact CE1-CE 3.49Å; Y51-M66 HydrophobicContact CE1-SD 3.88Å; Y51-M66 HydrophobicContact CG-CB 4.39Å; L63-M66 HydrophobicContact CD2-SD 4.3Å; M66-I74 HydrophobicContact CG-CB 4.03Å; M66-I74 PolarHBondContact N-O 2.99Å; M66-I74 PolarHBondContact O-N 3.43Å
67L90.6Very high88.2Confident2 Ų265.3 Ų65.31%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-151.9153.2179.273.8174.7000112.3L50 P73 T86 Y88L50-L67 HydrophobicContact CB-CD2 4.27Å; L50-L67 HydrophobicContact CD2-CD2 3.82Å; L50-L67 PolarHBondContact N-O 2.83Å; L50-L67 PolarHBondContact O-N 3.33Å; L67-P73 HydrophobicContact CB-CB 4.26Å; L67-P73 HydrophobicContact CD1-CB 4.47Å; L67-T86 HydrophobicContact CD1-CG2 3.99Å; L67-T86 HydrophobicContact CD2-CG2 3.53Å; L67-T86 HydrophobicContact CG-CG2 4.42Å; L67-Y88 HydrophobicContact CG-CD1 4.26Å; L67-Y88 HydrophobicContact CG-CG 4.49Å
68R86.1Confident89.1Confident123 Ų12366.3 Ų66.346%0.46438%0.384SS..  trans-90.3160.9163.4-68.1-178.4174.3178.5-1.8109.5V47 W49 N70 T71V47-R68 HydrophobicContact CG1-CB 4.2Å; V47-R68 HydrophobicContact CG1-CG 4.2Å; W49-R68 HydrophobicContact CD2-CG 3.79Å; W49-R68 VanDerWaalsContact CE2-NE 3.3Å; W49-R68 HydrophobicContact CE3-CG 3.87Å; W49-R68 HydrophobicContact CG-CG 4.41Å; W49-R68 HydrophobicContact CH2-CG 4.14Å; W49-R68 HydrophobicContact CZ2-CG 4.06Å; W49-R68 HydrophobicContact CZ3-CG 4.05Å; R68-N70 PolarHBondContact O-N 2.89Å; R68-T71 VanDerWaalsContact C-OG1 3.3Å; R68-T71 WeakPolarHBondContact CA-OG1 3.4Å; R68-T71 HydrophobicContact CB-CG2 3.96Å; R68-T71 WeakPolarHBondContact CB-OG1 3.21Å; R68-T71 PolarHBondContact N-OG1 2.84Å; R68-T71 PolarHBondContact O-N 3.19Å; R68-T71 VanDerWaalsContact O-N 3.13Å; R68-T71 PolarHBondContact O-OG1 2.83Å
69K80.4Confident90.2Very high55 Ų5564.7 Ų64.724%0.23936%0.358CS..THydrogen-bonded Turntrans-53.1133.8176.3-173.9-174.7169.1-172.10110.2V47 T71 Y88 D90V47-K69 HydrophobicContact CG2-CB 3.69Å; V47-K69 HydrophobicContact CG2-CD 4.28Å; K69-T71 PolarHBondContact O-N 3.28Å; K69-T71 VanDerWaalsContact O-N 3.17Å; K69-Y88 VanDerWaalsContact CA-CD1 3.47Å; K69-Y88 HydrophobicContact CB-CD1 4.09Å; K69-Y88 HydrophobicContact CB-CE1 3.77Å; K69-Y88 VanDerWaalsContact N-CD1 3.33Å; K69-D90 WeakPolarHBondContact CE-OD1 3.13Å; K69-D90 VanDerWaalsContact CE-OD2 3.26Å; K69-D90 WeakPolarHBondContact CE-OD2 2.99Å; K69-D90 IonicContact NZ-OD1 2.55Å; K69-D90 PolarHBondContact NZ-OD1 2.64Å; K69-D90 IonicContact NZ-OD2 2.69Å; K69-D90 PolarHBondContact NZ-OD2 3.4Å
70N77.9Confident91.2Very high133 Ų13364.4 Ų64.471%0.71136%0.36SS*.THydrogen-bonded Turntrans56.625.9179.1-56.1-24.7000114.8R68R68-N70 PolarHBondContact O-N 2.89Å
71T87.4Confident91.8Very high68 Ų6862.8 Ų62.842%0.41736%0.357SS..SBendtrans-119.1161.3174.965.70000111.4R68 K69R68-T71 VanDerWaalsContact C-OG1 3.3Å; R68-T71 WeakPolarHBondContact CA-OG1 3.4Å; R68-T71 HydrophobicContact CB-CG2 3.96Å; R68-T71 WeakPolarHBondContact CB-OG1 3.21Å; R68-T71 PolarHBondContact N-OG1 2.84Å; R68-T71 PolarHBondContact O-N 3.19Å; R68-T71 VanDerWaalsContact O-N 3.13Å; R68-T71 PolarHBondContact O-OG1 2.83Å; K69-T71 PolarHBondContact O-N 3.28Å; K69-T71 VanDerWaalsContact O-N 3.17Å
72N90.4Very high92.2Very high146 Ų14663.6 Ų63.678%0.78137%0.369SS*.PPolyproline II helixtrans-69.9143174.3-68.1-34000111.1
73P93.9Very high92.3Very high26 Ų2662.7 Ų62.717%0.16936%0.364CS..PPolyproline II helixtrans-70.9142.4178.728.3-33.9000113L67 Y75L67-P73 HydrophobicContact CB-CB 4.26Å; L67-P73 HydrophobicContact CD1-CB 4.47Å; P73-Y75 HydrophobicContact CB-CE2 4.22Å; P73-Y75 HydrophobicContact CG-CE2 3.8Å; P73-Y75 WeakPolarHBondContact CG-OH 3.47Å
74I95.4Very high92.4Very high96 Ų9660.5 Ų60.549%0.49235%0.352SS..EExtended strand (participates in β ladder)trans-97.7120.8168.3-56.5173.4000107W49 S65 M66W49-I74 HydrophobicContact CH2-CD1 3.94Å; W49-I74 HydrophobicContact CZ3-CD1 4.19Å; S65-I74 CarbonylContact C-O 3.58Å; S65-I74 WeakPolarHBondContact CA-O 3.37Å; M66-I74 HydrophobicContact CG-CB 4.03Å; M66-I74 PolarHBondContact N-O 2.99Å; M66-I74 PolarHBondContact O-N 3.43Å
75Y96.9Very high92.4Very high52 Ų5264 Ų6420%0.20437%0.37CS..EExtended strand (participates in β ladder)trans-89.3144.7-178.1-64.9-86.1000111.9V64 P73 F79 A81 F84V64-Y75 WeakPolarHBondContact O-CA 3.3Å; V64-Y75 WeakPolarHBondContact O-CD1 3.46Å; P73-Y75 HydrophobicContact CB-CE2 4.22Å; P73-Y75 HydrophobicContact CG-CE2 3.8Å; P73-Y75 WeakPolarHBondContact CG-OH 3.47Å; Y75-F79 WeakPolarHBondContact CB-O 3.44Å; Y75-F79 HydrophobicContact CD1-CB 4.26Å; Y75-A81 HydrophobicContact CE2-CB 3.73Å; Y75-F84 HydrophobicContact CD1-CB 4.42Å; Y75-F84 HydrophobicContact CE1-CB 3.72Å; Y75-F84 PolarHBondContact OH-O 3.27Å
76G95.3Very high92.3Very high8 Ų864.1 Ų64.18%0.08237%0.372CS..PPolyproline II helixtrans-77.2172.517200000112.7L63 V64 G78 F79L63-G76 WeakPolarHBondContact O-CA 3.39Å; V64-G76 PolarHBondContact O-N 3.41Å; G76-G78 PolarHBondContact O-N 3.29Å; G76-F79 PolarHBondContact O-N 3.23Å; G76-F79 VanDerWaalsContact O-N 3.08Å
77P93.5Very high92.3Very high127 Ų12765.4 Ų65.483%0.82538%0.382SS*.THydrogen-bonded Turntrans-56.6131.3179.7-23.633.8000112.4F79P77-F79 VanDerWaalsContact C-N 3.26Å; P77-F79 VanDerWaalsContact O-CD2 3.28Å; P77-F79 WeakPolarHBondContact O-CD2 3.44Å; P77-F79 PolarHBondContact O-N 2.76Å
78G91.9Very high92.1Very high82 Ų8266.1 Ų66.185%0.84538%0.384SS*.THydrogen-bonded Turntrans81.1-0.9-178.900000114.9G76G76-G78 PolarHBondContact O-N 3.29Å
79F95.6Very high91.9Very high29 Ų2963 Ų6313%0.12738%0.377CS..  trans-114.3149.7174.6-59.2-86.2000110.3K54 K62 L63 V64 Y75 G76 P77 F84K54-F79 HydrophobicContact CB-CZ 4.46Å; K54-F79 HydrophobicContact CD-CE1 4.15Å; K54-F79 HydrophobicContact CD-CZ 4.2Å; K62-F79 HydrophobicContact CB-CE2 4.14Å; K62-F79 HydrophobicContact CB-CZ 4.41Å; L63-F79 WeakPolarHBondContact O-CD2 3.24Å; L63-F79 WeakPolarHBondContact O-CE2 3.38Å; V64-F79 HydrophobicContact CB-CD1 4.23Å; V64-F79 HydrophobicContact CB-CE1 4.4Å; V64-F79 HydrophobicContact CB-CG 4.39Å; V64-F79 HydrophobicContact CG1-CB 4.46Å; V64-F79 HydrophobicContact CG1-CD1 3.78Å; V64-F79 HydrophobicContact CG1-CE1 4.26Å; V64-F79 HydrophobicContact CG1-CG 4.14Å; V64-F79 HydrophobicContact CG2-CD1 4.14Å; V64-F79 HydrophobicContact CG2-CE1 3.81Å; V64-F79 HydrophobicContact CG2-CE2 4.44Å; V64-F79 HydrophobicContact CG2-CZ 3.98Å; V64-F79 WeakPolarHBondContact O-CB 3.2Å; Y75-F79 WeakPolarHBondContact CB-O 3.44Å; Y75-F79 HydrophobicContact CD1-CB 4.26Å; G76-F79 PolarHBondContact O-N 3.23Å; G76-F79 VanDerWaalsContact O-N 3.08Å; P77-F79 VanDerWaalsContact C-N 3.26Å; P77-F79 VanDerWaalsContact O-CD2 3.28Å; P77-F79 WeakPolarHBondContact O-CD2 3.44Å; P77-F79 PolarHBondContact O-N 2.76Å; F79-F84 HydrophobicContact CB-CD2 4.45Å; F79-F84 AromaticContact CD1-CD2 4Å; F79-F84 HydrophobicContact CD1-CD2 4Å; F79-F84 HydrophobicContact CD1-CE1 4.3Å; F79-F84 AromaticContact CD1-CE2 3.54Å; F79-F84 HydrophobicContact CD1-CE2 3.54Å; F79-F84 AromaticContact CD1-CZ 3.71Å; F79-F84 HydrophobicContact CD1-CZ 3.71Å; F79-F84 HydrophobicContact CE1-CE2 4.21Å; F79-F84 AromaticContact CE1-CZ 3.95Å; F79-F84 HydrophobicContact CE1-CZ 3.95Å
80S95.8Very high91.6Very high49 Ų4964.1 Ų64.134%0.34339%0.385SS..  trans-156.8161.8179.369.10000112.7S82 R83 F84S80-S82 PolarHBondContact O-N 2.68Å; S80-S82 VanDerWaalsContact O-N 3.1Å; S80-S82 PolarHBondContact OG-OG 2.81Å; S80-R83 PolarHBondContact O-N 2.84Å; S80-R83 VanDerWaalsContact O-N 3.11Å; S80-F84 PolarHBondContact O-N 2.84Å
81A95.6Very high91.7Very high67 Ų6765.3 Ų65.355%0.55438%0.384SS*.THydrogen-bonded Turntrans-58.2-20.3174.700000114Y75 R83 F84Y75-A81 HydrophobicContact CE2-CB 3.73Å; A81-R83 VanDerWaalsContact C-N 3.29Å; A81-R83 PolarHBondContact O-N 3.42Å; A81-F84 WeakPolarHBondContact CA-O 3.38Å
82S95.3Very high91.7Very high94 Ų9465.2 Ų65.266%0.65738%0.38SS*.THydrogen-bonded Turntrans-70.6-23.9177.8710000113.6S80S80-S82 PolarHBondContact O-N 2.68Å; S80-S82 VanDerWaalsContact O-N 3.1Å; S80-S82 PolarHBondContact OG-OG 2.81Å
83R96.1Very high91.6Very high77 Ų7758.3 Ų58.329%0.29134%0.343SS..THydrogen-bonded Turntrans-117.2-26.5179.5-61.1-139.9-53127.71.4113.6S80 A81 L98 S101 D104S80-R83 PolarHBondContact O-N 2.84Å; S80-R83 VanDerWaalsContact O-N 3.11Å; A81-R83 VanDerWaalsContact C-N 3.29Å; A81-R83 PolarHBondContact O-N 3.42Å; R83-L98 PolarHBondContact O-N 2.82Å; R83-S101 PolarHBondContact NH1-OG 2.8Å; R83-D104 IonicContact CZ-OD1 3.87Å; R83-D104 IonicContact CZ-OD2 3.46Å; R83-D104 IonicContact NH1-OD1 2.91Å; R83-D104 PolarHBondContact NH1-OD1 2.76Å; R83-D104 IonicContact NH1-OD2 2.93Å; R83-D104 PolarHBondContact NH1-OD2 2.8Å; R83-D104 IonicContact NH2-OD1 3.89Å; R83-D104 PolarHBondContact NH2-OD1 3.03Å; R83-D104 IonicContact NH2-OD2 3.61Å
84F96.9Very high91.6Very high1 Ų158.2 Ų58.20%0.00434%0.341CS..EExtended strand (participates in β ladder)trans-126.5142.5-173.3-62.5-92.9000110.9V64 Y75 F79 S80 A81 L95 T96 I97V64-F84 HydrophobicContact CG1-CD1 3.94Å; V64-F84 HydrophobicContact CG1-CE1 4.31Å; V64-F84 HydrophobicContact CG1-CG 4.22Å; Y75-F84 HydrophobicContact CD1-CB 4.42Å; Y75-F84 HydrophobicContact CE1-CB 3.72Å; Y75-F84 PolarHBondContact OH-O 3.27Å; F79-F84 HydrophobicContact CB-CD2 4.45Å; F79-F84 AromaticContact CD1-CD2 4Å; F79-F84 HydrophobicContact CD1-CD2 4Å; F79-F84 HydrophobicContact CD1-CE1 4.3Å; F79-F84 AromaticContact CD1-CE2 3.54Å; F79-F84 HydrophobicContact CD1-CE2 3.54Å; F79-F84 AromaticContact CD1-CZ 3.71Å; F79-F84 HydrophobicContact CD1-CZ 3.71Å; F79-F84 HydrophobicContact CE1-CE2 4.21Å; F79-F84 AromaticContact CE1-CZ 3.95Å; F79-F84 HydrophobicContact CE1-CZ 3.95Å; S80-F84 PolarHBondContact O-N 2.84Å; A81-F84 WeakPolarHBondContact CA-O 3.38Å; F84-L95 HydrophobicContact CB-CD1 4.46Å; F84-L95 HydrophobicContact CD1-CD1 4.26Å; F84-T96 CarbonylContact C-O 3.5Å; F84-T96 VanDerWaalsContact CA-O 3.28Å; F84-T96 WeakPolarHBondContact CA-O 3.4Å; F84-I97 HydrophobicContact CD1-CG1 3.89Å; F84-I97 HydrophobicContact CE1-CD1 4.31Å; F84-I97 HydrophobicContact CE1-CG1 3.68Å; F84-I97 HydrophobicContact CE1-CG2 4.47Å
85N95.8Very high91.7Very high73 Ų7353.7 Ų53.739%0.3932%0.318SS..EExtended strand (participates in β ladder)trans-129.5130171-178.522.6000109.5T96 L98N85-T96 PolarHBondContact N-O 3.14Å; N85-T96 PolarHBondContact O-N 3.39Å; N85-L98 HydrophobicContact CB-CD2 4.36Å
86T94.9Very high91.7Very high4 Ų452.4 Ų52.43%0.02532%0.315CS..EExtended strand (participates in β ladder)trans-121.7126.9-179.1-51.80000109.9S65 L67 N94 L95S65-T86 PolarHBondContact OG-OG1 2.93Å; L67-T86 HydrophobicContact CD1-CG2 3.99Å; L67-T86 HydrophobicContact CD2-CG2 3.53Å; L67-T86 HydrophobicContact CG-CG2 4.42Å; T86-N94 CarbonylContact C-O 3.56Å; T86-N94 VanDerWaalsContact CA-O 3.29Å; T86-N94 WeakPolarHBondContact CA-O 3.33Å; T86-L95 WeakPolarHBondContact OG1-CD1 3.38Å
87T91.9Very high91.8Very high62 Ų6252 Ų5238%0.3831%0.312SS..EExtended strand (participates in β ladder)trans-119.1151.6173.167.20000110.5S93 N94T87-S93 CarbonylContact O-C 3.47Å; T87-S93 WeakPolarHBondContact O-CA 3.14Å; T87-S93 WeakPolarHBondContact O-CB 3.47Å; T87-S93 PolarHBondContact O-OG 3.46Å; T87-N94 PolarHBondContact N-O 3.32Å; T87-N94 PolarHBondContact O-N 3.49Å
88Y87.8Confident92Very high16 Ų1649.8 Ų49.86%0.06329%0.292CS..EExtended strand (participates in β ladder)trans-146.6116.2-179.9174.4-149.2000109.7L40 L50 L67 K69L40-Y88 HydrophobicContact CD1-CD2 3.93Å; L40-Y88 HydrophobicContact CD1-CE2 3.36Å; L50-Y88 HydrophobicContact CB-CD1 4.11Å; L50-Y88 HydrophobicContact CB-CE1 4.19Å; L50-Y88 HydrophobicContact CD1-CD2 4.17Å; L50-Y88 HydrophobicContact CD1-CE2 4.31Å; L50-Y88 HydrophobicContact CD1-CG 4.45Å; L67-Y88 HydrophobicContact CG-CD1 4.26Å; L67-Y88 HydrophobicContact CG-CG 4.49Å; K69-Y88 VanDerWaalsContact CA-CD1 3.47Å; K69-Y88 HydrophobicContact CB-CD1 4.09Å; K69-Y88 HydrophobicContact CB-CE1 3.77Å; K69-Y88 VanDerWaalsContact N-CD1 3.33Å
89D80.1Confident92.2Very high58 Ų5852.9 Ų52.931%0.3128%0.282SS..  trans-116.2-175.4172.868.341.1000111.2K91 M92D89-K91 PolarHBondContact O-N 2.94Å; D89-K91 WeakPolarHBondContact OD1-CA 3.31Å; D89-K91 PolarHBondContact OD1-N 3.45Å; D89-M92 PolarHBondContact N-O 2.82Å; D89-M92 PolarHBondContact OD1-N 3.19Å
90D74.8Confident92.1Very high79 Ų7951.7 Ų51.742%0.42228%0.278SS..SBendtrans-63.7-21.1-176.9-79.2-48000115.6K69K69-D90 WeakPolarHBondContact CE-OD1 3.13Å; K69-D90 VanDerWaalsContact CE-OD2 3.26Å; K69-D90 WeakPolarHBondContact CE-OD2 2.99Å; K69-D90 IonicContact NZ-OD1 2.55Å; K69-D90 PolarHBondContact NZ-OD1 2.64Å; K69-D90 IonicContact NZ-OD2 2.69Å; K69-D90 PolarHBondContact NZ-OD2 3.4Å
91K80.1Confident92Very high157 Ų15750.9 Ų50.968%0.68327%0.272SS*.SBendtrans-114.2-27.4-169.4-63.7-176.7179.4-176.80112.3L40 D89L40-K91 WeakPolarHBondContact CB-O 3.49Å; L40-K91 PolarHBondContact N-O 2.88Å; D89-K91 PolarHBondContact O-N 2.94Å; D89-K91 WeakPolarHBondContact OD1-CA 3.31Å; D89-K91 PolarHBondContact OD1-N 3.45Å
92M86.8Confident91.7Very high67 Ų6752 Ų5233%0.3327%0.272SS..EExtended strand (participates in β ladder)trans-155.2159.7-177.958.9-177.6175.900113T37 C38 D89T37-M92 HydrophobicContact CG2-CB 4.24Å; T37-M92 HydrophobicContact CG2-SD 3.96Å; C38-M92 CarbonylContact O-C 3.54Å; C38-M92 WeakPolarHBondContact O-CA 3.31Å; C38-M92 VanDerWaalsContact O-CB 3.28Å; C38-M92 WeakPolarHBondContact O-CB 3.05Å; D89-M92 PolarHBondContact N-O 2.82Å; D89-M92 PolarHBondContact OD1-N 3.19Å
93S90.1Very high91.4Very high0 Ų054.2 Ų54.20%027%0.272CS..EExtended strand (participates in β ladder)trans-117.2141.7161.3-179.30000110.3C38 L50 W52 T87C38-S93 PolarHBondContact N-O 2.99Å; C38-S93 PolarHBondContact O-N 3.33Å; L50-S93 VanDerWaalsContact CD1-CB 3.4Å; L50-S93 VanDerWaalsContact CD2-OG 3.32Å; L50-S93 WeakPolarHBondContact CD2-OG 3.49Å; W52-S93 PolarHBondContact NE1-OG 3.08Å; T87-S93 CarbonylContact O-C 3.47Å; T87-S93 WeakPolarHBondContact O-CA 3.14Å; T87-S93 WeakPolarHBondContact O-CB 3.47Å; T87-S93 PolarHBondContact O-OG 3.46Å
94N93.5Very high91.3Very high25 Ų2550.5 Ų50.513%0.13426%0.258CS..EExtended strand (participates in β ladder)trans-119.8128.4178.2-68-43.7000109.6T35 V36 T37 T86 T87T35-N94 HydrophobicContact CG2-CB 3.73Å; V36-N94 WeakPolarHBondContact O-CA 3.49Å; T37-N94 WeakPolarHBondContact CA-OD1 3.21Å; T37-N94 VanDerWaalsContact CB-OD1 3.27Å; T37-N94 WeakPolarHBondContact CB-OD1 3.5Å; T37-N94 VanDerWaalsContact CG2-OD1 3.22Å; T37-N94 WeakPolarHBondContact CG2-OD1 3.35Å; T37-N94 PolarHBondContact OG1-OD1 3.23Å; T86-N94 CarbonylContact C-O 3.56Å; T86-N94 VanDerWaalsContact CA-O 3.29Å; T86-N94 WeakPolarHBondContact CA-O 3.33Å; T87-N94 PolarHBondContact N-O 3.32Å; T87-N94 PolarHBondContact O-N 3.49Å
95L96.1Very high91Very high0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-106.6115.2167.4177.169.4000108.8T35 V36 W52 V64 F84 T86 Y108T35-L95 CarbonylContact C-O 3.58Å; T35-L95 WeakPolarHBondContact CA-O 3.33Å; V36-L95 PolarHBondContact N-O 2.86Å; V36-L95 PolarHBondContact O-N 3.37Å; W52-L95 HydrophobicContact CB-CD2 4.22Å; W52-L95 HydrophobicContact CD2-CB 3.65Å; W52-L95 HydrophobicContact CD2-CD2 3.96Å; W52-L95 HydrophobicContact CD2-CG 4.35Å; W52-L95 HydrophobicContact CE3-CB 3.98Å; W52-L95 HydrophobicContact CE3-CD2 3.82Å; W52-L95 HydrophobicContact CG-CB 4.09Å; W52-L95 HydrophobicContact CG-CD2 4.16Å; W52-L95 HydrophobicContact CG-CG 4.49Å; W52-L95 HydrophobicContact CH2-CB 4.21Å; W52-L95 HydrophobicContact CZ2-CB 3.91Å; W52-L95 HydrophobicContact CZ3-CB 4.25Å; W52-L95 HydrophobicContact CZ3-CD2 4.49Å; V64-L95 HydrophobicContact CG1-CD1 3.9Å; V64-L95 HydrophobicContact CG1-CD2 4.16Å; F84-L95 HydrophobicContact CB-CD1 4.46Å; F84-L95 HydrophobicContact CD1-CD1 4.26Å; T86-L95 WeakPolarHBondContact OG1-CD1 3.38Å; L95-Y108 HydrophobicContact CD2-CD1 3.48Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.48Å; L95-Y108 HydrophobicContact CD2-CE1 3.84Å
96T97.3Very high90.7Very high26 Ų2649.2 Ų49.216%0.1625%0.25CS..EExtended strand (participates in β ladder)trans-106.1126.1179.3-56.10000110.4V34 T35 F84 N85 L98V34-T96 CarbonylContact O-C 3.54Å; V34-T96 VanDerWaalsContact O-CA 3.29Å; V34-T96 WeakPolarHBondContact O-CA 3Å; T35-T96 PolarHBondContact OG1-OG1 3.41Å; F84-T96 CarbonylContact C-O 3.5Å; F84-T96 VanDerWaalsContact CA-O 3.28Å; F84-T96 WeakPolarHBondContact CA-O 3.4Å; N85-T96 PolarHBondContact N-O 3.14Å; N85-T96 PolarHBondContact O-N 3.39Å; T96-L98 HydrophobicContact CG2-CD2 4.26Å
97I97.8Very high90.5Very high0 Ų049.2 Ų49.20%025%0.25CC..EExtended strand (participates in β ladder)trans-93.2117168.4-55.9167.3000106.1P33 V34 F84 K99 D104 Y108 L125P33-I97 CarbonylContact C-O 3.56Å; P33-I97 WeakPolarHBondContact CA-O 3.45Å; V34-I97 HydrophobicContact CG1-CB 3.87Å; V34-I97 HydrophobicContact CG1-CD1 3.96Å; V34-I97 HydrophobicContact CG1-CG1 4.29Å; V34-I97 PolarHBondContact N-O 3.14Å; V34-I97 PolarHBondContact O-N 2.99Å; F84-I97 HydrophobicContact CD1-CG1 3.89Å; F84-I97 HydrophobicContact CE1-CD1 4.31Å; F84-I97 HydrophobicContact CE1-CG1 3.68Å; F84-I97 HydrophobicContact CE1-CG2 4.47Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 2.8Å; I97-D104 HydrophobicContact CD1-CB 4.22Å; I97-Y108 HydrophobicContact CD1-CE1 4.22Å; I97-Y108 HydrophobicContact CD1-CE2 4.33Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.45Å; I97-L125 HydrophobicContact CD1-CD2 3.4Å
98L97.2Very high90.5Very high80 Ų8046.3 Ų46.342%0.41923%0.232SC..SBendtrans-71-31.6-171.5-60.9177.9000112.4R83 N85 T96R83-L98 PolarHBondContact O-N 2.82Å; N85-L98 HydrophobicContact CB-CD2 4.36Å; T96-L98 HydrophobicContact CG2-CD2 4.26Å
99K96.2Very high90.6Very high147 Ų14745.9 Ų45.964%0.63923%0.231SC*.SBendtrans-147.6101.8178.9-171.8176.4-176.1177.20109.4I97 S101I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 2.8Å; K99-S101 PolarHBondContact O-N 3.22Å
100A94.3Very high91Very high3 Ų343.3 Ų43.33%0.02522%0.217CC..  trans-62.2132.1-178.200000111.9V28 G31 Q32 L127V28-A100 HydrophobicContact CG1-CB 3.85Å; V28-A100 HydrophobicContact CG2-CB 4.14Å; G31-A100 PolarHBondContact N-O 3.32Å; Q32-A100 VanDerWaalsContact O-CB 3.24Å; Q32-A100 WeakPolarHBondContact O-CB 3.43Å; Q32-A100 PolarHBondContact O-N 2.73Å; A100-L127 HydrophobicContact CB-CD2 4.09Å
101S93.1Very high91.6Very high32 Ų3239.7 Ų39.722%0.22420%0.198CC..  trans-124.2166.9174.8710000110.9R83 K99 E103 D104 L127R83-S101 PolarHBondContact NH1-OG 2.8Å; K99-S101 PolarHBondContact O-N 3.22Å; S101-E103 PolarHBondContact O-N 2.74Å; S101-D104 WeakPolarHBondContact CB-OD2 3.43Å; S101-D104 PolarHBondContact N-OD2 3.33Å; S101-D104 WeakPolarHBondContact O-CB 3.24Å; S101-D104 PolarHBondContact O-N 3.02Å; S101-D104 PolarHBondContact OG-OD2 3Å; S101-L127 WeakPolarHBondContact O-CD1 3.37Å
102T88.7Confident91.5Very high92 Ų9232.3 Ų32.356%0.56417%0.166SC*.G310 helixtrans-54.9-33.9177.2470000113.2L30 D104 E105L30-T102 HydrophobicContact CD2-CG2 4.02Å; T102-D104 PolarHBondContact O-N 2.76Å; T102-E105 PolarHBondContact O-N 2.83Å
103E90.4Very high90.7Very high139 Ų13933 Ų3365%0.6517%0.17SC*.G310 helixtrans-68.3-22178.6-64.6177.8-17300112.6K54 S101 E105K54-E103 WeakPolarHBondContact CE-O 3.34Å; K54-E103 PolarHBondContact NZ-O 2.65Å; S101-E103 PolarHBondContact O-N 2.74Å; E103-E105 VanDerWaalsContact C-N 3.33Å
104D93.1Very high89.6Confident0 Ų034.1 Ų34.10%018%0.176CC..G310 helixtrans-82-8.4-175.4-58.4-48.3000113.2K54 R83 I97 S101 T102 G106 Y108 L125K54-D104 IonicContact NZ-OD1 3.45Å; R83-D104 IonicContact CZ-OD1 3.87Å; R83-D104 IonicContact CZ-OD2 3.46Å; R83-D104 IonicContact NH1-OD1 2.91Å; R83-D104 PolarHBondContact NH1-OD1 2.76Å; R83-D104 IonicContact NH1-OD2 2.93Å; R83-D104 PolarHBondContact NH1-OD2 2.8Å; R83-D104 IonicContact NH2-OD1 3.89Å; R83-D104 PolarHBondContact NH2-OD1 3.03Å; R83-D104 IonicContact NH2-OD2 3.61Å; I97-D104 HydrophobicContact CD1-CB 4.22Å; S101-D104 WeakPolarHBondContact CB-OD2 3.43Å; S101-D104 PolarHBondContact N-OD2 3.33Å; S101-D104 WeakPolarHBondContact O-CB 3.24Å; S101-D104 PolarHBondContact O-N 3.02Å; S101-D104 PolarHBondContact OG-OD2 3Å; T102-D104 PolarHBondContact O-N 2.76Å; D104-G106 PolarHBondContact O-N 3.46Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å; D104-Y108 PolarHBondContact O-OH 3.45Å; D104-Y108 VanDerWaalsContact O-OH 3.04Å; D104-L125 HydrophobicContact CB-CD2 4.43Å; D104-L125 WeakPolarHBondContact O-CD2 3.44Å
105E91.4Very high88Confident44 Ų4444.8 Ų44.821%0.20622%0.215CC..  trans-62.6127.9171.7-173.8168.6-158.300110.9K2 T102 E103 Y124 L125 L127K2-E105 WeakPolarHBondContact CE-OE1 3.32Å; K2-E105 IonicContact NZ-OE1 2.68Å; K2-E105 PolarHBondContact NZ-OE1 3.28Å; K2-E105 IonicContact NZ-OE2 2.73Å; K2-E105 PolarHBondContact NZ-OE2 3.46Å; T102-E105 PolarHBondContact O-N 2.83Å; E103-E105 VanDerWaalsContact C-N 3.33Å; E105-Y124 VanDerWaalsContact CD-OH 3.32Å; E105-Y124 WeakPolarHBondContact CG-OH 3.42Å; E105-Y124 PolarHBondContact OE1-OH 3.31Å; E105-L125 WeakPolarHBondContact CG-O 3.46Å; E105-L127 HydrophobicContact CB-CD1 3.85Å; E105-L127 HydrophobicContact CB-CG 4.05Å
106G89.6Confident86.4Confident2 Ų252.8 Ų52.82%0.02126%0.257CS..EExtended strand (participates in β ladder)trans161-178.4-179.900000114.3D104 L125D104-G106 PolarHBondContact O-N 3.46Å; G106-L125 PolarHBondContact N-O 3.48Å; G106-L125 PolarHBondContact O-N 2.95Å
107M89.3Confident84.8Confident4 Ų455.5 Ų55.52%0.0227%0.268CS..EExtended strand (participates in β ladder)trans-83.2133173.1-71.6-64.6-69.600110.2P23 K54 Q55 H109 Y124P23-M107 HydrophobicContact CB-CE 3.89Å; P23-M107 HydrophobicContact CG-CE 4.11Å; K54-M107 CarbonylContact C-O 3.54Å; K54-M107 WeakPolarHBondContact CA-O 3.39Å; Q55-M107 HydrophobicContact CB-CB 4.22Å; Q55-M107 PolarHBondContact N-O 2.89Å; Q55-M107 PolarHBondContact O-N 3.04Å; M107-H109 WeakPolarHBondContact CB-NE2 3.01Å; M107-Y124 HydrophobicContact CG-CD2 3.98Å; M107-Y124 VanDerWaalsContact SD-CB 3.56Å; M107-Y124 HydrophobicContact SD-CD2 3.57Å; M107-Y124 VanDerWaalsContact SD-CD2 3.57Å; M107-Y124 HydrophobicContact SD-CG 4.04Å
108Y92.6Very high83.3Confident1 Ų158.3 Ų58.30%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-114.7126.5173.5-73.4-95.4000109V36 Y53 K54 L95 I97 D104 G122 A123 L125V36-Y108 HydrophobicContact CG2-CG 4.48Å; Y53-Y108 CarbonylContact O-C 3.58Å; Y53-Y108 WeakPolarHBondContact O-CA 3.48Å; K54-Y108 HydrophobicContact CB-CD1 4.27Å; K54-Y108 HydrophobicContact CB-CE1 4.06Å; K54-Y108 HydrophobicContact CD-CE1 4.09Å; K54-Y108 HydrophobicContact CG-CD1 4.48Å; K54-Y108 HydrophobicContact CG-CE1 4.01Å; K54-Y108 HydrophobicContact CG-CE2 4.43Å; L95-Y108 HydrophobicContact CD2-CD1 3.48Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.48Å; L95-Y108 HydrophobicContact CD2-CE1 3.84Å; I97-Y108 HydrophobicContact CD1-CE1 4.22Å; I97-Y108 HydrophobicContact CD1-CE2 4.33Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.45Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å; D104-Y108 PolarHBondContact O-OH 3.45Å; D104-Y108 VanDerWaalsContact O-OH 3.04Å; Y108-G122 CarbonylContact O-C 3.58Å; Y108-G122 VanDerWaalsContact O-CA 3.25Å; Y108-G122 WeakPolarHBondContact O-CA 3.22Å; Y108-A123 PolarHBondContact N-O 2.88Å; Y108-A123 PolarHBondContact O-N 3.04Å; Y108-L125 HydrophobicContact CD2-CB 3.87Å; Y108-L125 HydrophobicContact CE2-CB 3.73Å; Y108-L125 HydrophobicContact CE2-CD2 3.89Å; Y108-L125 HydrophobicContact CE2-CG 4.48Å
109H90.5Very high82.2Confident8 Ų856.4 Ų56.44%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-117.6133.1-177-55.2-92.9000110.3W52 Y53 L61 M107 W120 S121W52-H109 CarbonylContact C-O 3.53Å; W52-H109 WeakPolarHBondContact CA-O 3.23Å; Y53-H109 PolarHBondContact N-O 3.3Å; Y53-H109 PolarHBondContact O-N 3.06Å; L61-H109 VanDerWaalsContact CD2-CD2 3.49Å; L61-H109 WeakPolarHBondContact CD2-CD2 3.44Å; M107-H109 WeakPolarHBondContact CB-NE2 3.01Å; H109-W120 HydrophobicContact CB-CH2 4.08Å; H109-W120 HydrophobicContact CB-CZ2 3.33Å; H109-W120 AromaticContact CG-CE2 3.83Å; H109-W120 AromaticContact CG-CZ2 3.57Å; H109-W120 AromaticContact CG-NE1 3.77Å; H109-W120 AromaticContact ND1-CE2 3.68Å; H109-W120 AromaticContact ND1-CZ2 3.82Å; H109-W120 AromaticContact ND1-NE1 3.13Å; H109-W120 PolarHBondContact ND1-NE1 3.46Å; H109-W120 VanDerWaalsContact ND1-NE1 3.13Å; H109-S121 CarbonylContact C-O 3.51Å; H109-S121 VanDerWaalsContact CA-O 3.27Å; H109-S121 WeakPolarHBondContact CA-O 3.48Å
110C89Confident81.3Confident4 Ų453.6 Ų53.63%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-101.9137.3164.461.60000109.3C38 Y51 W52 W120 S121C38-C110 HydrophobicContact CB-CB 3.49Å; C38-C110 VanDerWaalsContact CB-CB 3.49Å; C38-C110 WeakPolarHBondContact CB-SG 3.21Å; C38-C110 WeakPolarHBondContact SG-CB 3.49Å; C38-C110 CovalentContact SG-SG 2.02Å; C38-C110 PolarHBondContact SG-SG 2.96Å; Y51-C110 CarbonylContact O-C 3.56Å; Y51-C110 WeakPolarHBondContact O-CA 2.89Å; W52-C110 HydrophobicContact CD2-CB 4.18Å; W52-C110 HydrophobicContact CE3-CB 4.11Å; W52-C110 HydrophobicContact CH2-CB 3.91Å; W52-C110 HydrophobicContact CZ2-CB 3.97Å; W52-C110 HydrophobicContact CZ3-CB 3.98Å; C110-W120 WeakPolarHBondContact O-CA 3.15Å; C110-S121 PolarHBondContact N-O 2.93Å; C110-S121 PolarHBondContact O-N 2.97Å
111A86.1Confident80.8Confident2 Ų256.3 Ų56.32%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-127.1133.217800000109.7Y51 Y53 W120Y51-A111 PolarHBondContact N-O 2.91Å; Y51-A111 PolarHBondContact O-N 3.14Å; Y53-A111 HydrophobicContact CE2-CB 4.2Å; A111-W120 HydrophobicContact CB-CD2 4.34Å; A111-W120 HydrophobicContact CB-CE3 3.25Å; A111-W120 HydrophobicContact CB-CH2 4.28Å; A111-W120 HydrophobicContact CB-CZ3 3.22Å
112Y78.4Confident80.4Confident3 Ų355.5 Ų55.51%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-129.4130.1169.6178.5-103.1000109.4L40 L44 S46 W49 N114 T118 M119L40-Y112 HydrophobicContact CD2-CG 4.41Å; L44-Y112 HydrophobicContact CB-CD1 4.19Å; L44-Y112 HydrophobicContact CB-CE1 3.61Å; L44-Y112 HydrophobicContact CD1-CD1 3.8Å; L44-Y112 HydrophobicContact CD1-CE1 4.07Å; L44-Y112 HydrophobicContact CD2-CD1 3.88Å; L44-Y112 HydrophobicContact CD2-CE1 3.55Å; L44-Y112 HydrophobicContact CG-CD1 4.15Å; L44-Y112 HydrophobicContact CG-CE1 3.9Å; L44-Y112 PolarHBondContact O-OH 3.04Å; S46-Y112 PolarHBondContact O-OH 3.35Å; W49-Y112 WeakPolarHBondContact O-CD2 3.44Å; Y112-N114 HydrophobicContact CD1-CB 4.48Å; Y112-N114 HydrophobicContact CE1-CB 3.63Å; Y112-T118 WeakPolarHBondContact O-CA 3.39Å; Y112-M119 PolarHBondContact N-O 3.37Å; Y112-M119 PolarHBondContact O-N 3.28Å
113L69.3Low80.3Confident80 Ų8051.4 Ų51.442%0.41925%0.251SS..EExtended strand (participates in β ladder)trans-115.3112.9178.2-72.883.7000108.8S48 Y51 T118S48-L113 WeakPolarHBondContact CB-O 3.41Å; S48-L113 PolarHBondContact OG-O 2.65Å; Y51-L113 HydrophobicContact CD2-CD1 4.32Å; Y51-L113 HydrophobicContact CE2-CD1 4.25Å; L113-T118 HydrophobicContact CG-CG2 4.23Å
114N66.8Low80.1Confident24 Ų2446.5 Ų46.513%0.12823%0.226CC..  trans-108163.3163.4-158.6-5.8000110.2L44 Y112 L116 Q117L44-N114 HydrophobicContact CD2-CB 4.45Å; Y112-N114 HydrophobicContact CD1-CB 4.48Å; Y112-N114 HydrophobicContact CE1-CB 3.63Å; N114-L116 PolarHBondContact O-N 2.95Å; N114-Q117 PolarHBondContact N-O 3.31Å; N114-Q117 PolarHBondContact O-N 3.49Å
115W61.1Low79.9Confident250 Ų25046.5 Ų46.595%0.94723%0.227SC*.SBendtrans-53.6-27.4175.9-65.799.8000113.8
116L62Low79.7Confident167 Ų16745.7 Ų45.787%0.87423%0.226SC*.SBendtrans-102.1-27.2-176.9-64.7169.9000113.8N114N114-L116 PolarHBondContact O-N 2.95Å
117Q64Low79.6Confident84 Ų8446.7 Ų46.739%0.39323%0.231SC..  trans-157136-171.3-165.8172.824.800111.7N114N114-Q117 PolarHBondContact N-O 3.31Å; N114-Q117 PolarHBondContact O-N 3.49Å
118T67.1Low79Confident59 Ų5951.7 Ų51.736%0.36225%0.252SS..EExtended strand (participates in β ladder)trans-96.6131.9164.5-56.70000108.5Q18 Y112 L113Q18-T118 PolarHBondContact NE2-O 2.8Å; Y112-T118 WeakPolarHBondContact O-CA 3.39Å; L113-T118 HydrophobicContact CG-CG2 4.23Å
119M72.4Confident77.8Confident40 Ų4055.2 Ų55.220%0.19727%0.269CS..EExtended strand (participates in β ladder)trans-119.7132.5171.6-168.6163.172.400109.5L40 L44 Y112L40-M119 HydrophobicContact CB-CE 4.34Å; L40-M119 HydrophobicContact CD2-CE 3.92Å; L40-M119 HydrophobicContact CG-CE 4.48Å; L44-M119 HydrophobicContact CD1-CE 3.61Å; L44-M119 HydrophobicContact CD1-SD 4.29Å; Y112-M119 PolarHBondContact N-O 3.37Å; Y112-M119 PolarHBondContact O-N 3.28Å
120W78.3Confident75.9Confident88 Ų8860.6 Ų60.633%0.33330%0.302SS..EExtended strand (participates in β ladder)trans-130.2130.2179.7-170.4-94000108.4Y53 L61 H109 C110 A111Y53-W120 AromaticContact CD2-CH2 3.65Å; Y53-W120 HydrophobicContact CD2-CH2 3.65Å; Y53-W120 HydrophobicContact CD2-CZ3 4.08Å; Y53-W120 HydrophobicContact CE2-CH2 4.1Å; Y53-W120 HydrophobicContact CE2-CZ3 4.15Å; Y53-W120 HydrophobicContact CG-CH2 4.35Å; L61-W120 HydrophobicContact CD1-CH2 4.4Å; L61-W120 HydrophobicContact CD1-CZ2 4.32Å; L61-W120 HydrophobicContact CD2-CZ2 4.28Å; H109-W120 HydrophobicContact CB-CH2 4.08Å; H109-W120 HydrophobicContact CB-CZ2 3.33Å; H109-W120 AromaticContact CG-CE2 3.83Å; H109-W120 AromaticContact CG-CZ2 3.57Å; H109-W120 AromaticContact CG-NE1 3.77Å; H109-W120 AromaticContact ND1-CE2 3.68Å; H109-W120 AromaticContact ND1-CZ2 3.82Å; H109-W120 AromaticContact ND1-NE1 3.13Å; H109-W120 PolarHBondContact ND1-NE1 3.46Å; H109-W120 VanDerWaalsContact ND1-NE1 3.13Å; C110-W120 WeakPolarHBondContact O-CA 3.15Å; A111-W120 HydrophobicContact CB-CD2 4.34Å; A111-W120 HydrophobicContact CB-CE3 3.25Å; A111-W120 HydrophobicContact CB-CH2 4.28Å; A111-W120 HydrophobicContact CB-CZ3 3.22Å
121S82.8Confident74.2Confident59 Ų5969.1 Ų69.141%0.41333%0.334SS..EExtended strand (participates in β ladder)trans-138.2149.9174.1-177.40000109.9H109 C110H109-S121 CarbonylContact C-O 3.51Å; H109-S121 VanDerWaalsContact CA-O 3.27Å; H109-S121 WeakPolarHBondContact CA-O 3.48Å; C110-S121 PolarHBondContact N-O 2.93Å; C110-S121 PolarHBondContact O-N 2.97Å
122G86Confident72.6Confident16 Ų1679.8 Ų79.817%0.16537%0.374CS..EExtended strand (participates in β ladder)trans-134146.2-175.100000112.4P23 Y108P23-G122 WeakPolarHBondContact CA-O 3.42Å; P23-G122 VanDerWaalsContact CB-O 3.26Å; P23-G122 WeakPolarHBondContact CB-O 3.45Å; Y108-G122 CarbonylContact O-C 3.58Å; Y108-G122 VanDerWaalsContact O-CA 3.25Å; Y108-G122 WeakPolarHBondContact O-CA 3.22Å
123A85.7Confident71Confident5 Ų585.5 Ų85.54%0.04141%0.409CS..EExtended strand (participates in β ladder)trans-132.8140.8168.400000109.9Q24 I26 V36 Y108Q24-A123 HydrophobicContact CB-CB 4.28Å; Q24-A123 CarbonylContact O-C 3.43Å; Q24-A123 WeakPolarHBondContact O-CA 3.35Å; Q24-A123 WeakPolarHBondContact O-CB 3.49Å; I26-A123 HydrophobicContact CD1-CB 4.02Å; V36-A123 HydrophobicContact CG1-CB 3.67Å; Y108-A123 PolarHBondContact N-O 2.88Å; Y108-A123 PolarHBondContact O-N 3.04Å
124Y86.5Confident70.4Confident36 Ų3683.3 Ų83.314%0.14140%0.4CS..EExtended strand (participates in β ladder)trans-90.8120.8173.1-173.6-103.6000109.6K2 Q24 V25 I26 E105 M107K2-Y124 WeakPolarHBondContact CD-OH 3.28Å; K2-Y124 WeakPolarHBondContact CE-OH 3.37Å; Q24-Y124 PolarHBondContact O-N 2.89Å; V25-Y124 WeakPolarHBondContact CA-O 3.34Å; V25-Y124 HydrophobicContact CG1-CD1 4.46Å; I26-Y124 PolarHBondContact N-O 3.13Å; E105-Y124 VanDerWaalsContact CD-OH 3.32Å; E105-Y124 WeakPolarHBondContact CG-OH 3.42Å; E105-Y124 PolarHBondContact OE1-OH 3.31Å; M107-Y124 HydrophobicContact CG-CD2 3.98Å; M107-Y124 VanDerWaalsContact SD-CB 3.56Å; M107-Y124 HydrophobicContact SD-CD2 3.57Å; M107-Y124 VanDerWaalsContact SD-CD2 3.57Å; M107-Y124 HydrophobicContact SD-CG 4.04Å
125L89.8Confident70.4Confident1 Ų186.6 Ų86.61%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-89.8117.6170.6-174.769.2000109.3I26 V28 V34 I97 D104 E105 G106 Y108I26-L125 HydrophobicContact CB-CD1 4.09Å; I26-L125 HydrophobicContact CG2-CD1 3.9Å; V28-L125 HydrophobicContact CB-CD1 4.39Å; V28-L125 HydrophobicContact CG1-CD1 3.79Å; V28-L125 HydrophobicContact CG1-CD2 4.46Å; V28-L125 HydrophobicContact CG1-CG 4.25Å; V34-L125 HydrophobicContact CB-CD1 4.36Å; V34-L125 HydrophobicContact CG1-CD1 3.9Å; V34-L125 HydrophobicContact CG1-CD2 4.04Å; V34-L125 HydrophobicContact CG2-CD1 3.68Å; I97-L125 HydrophobicContact CD1-CD2 3.4Å; D104-L125 HydrophobicContact CB-CD2 4.43Å; D104-L125 WeakPolarHBondContact O-CD2 3.44Å; E105-L125 WeakPolarHBondContact CG-O 3.46Å; G106-L125 PolarHBondContact N-O 3.48Å; G106-L125 PolarHBondContact O-N 2.95Å; Y108-L125 HydrophobicContact CD2-CB 3.87Å; Y108-L125 HydrophobicContact CE2-CB 3.73Å; Y108-L125 HydrophobicContact CE2-CD2 3.89Å; Y108-L125 HydrophobicContact CE2-CG 4.48Å
126S86.9Confident71.1Confident26 Ų2676.2 Ų76.218%0.18238%0.379CS..EExtended strand (participates in β ladder)trans-110.5132.2177.3-177.20000110.5I26 R27 V28I26-S126 PolarHBondContact O-N 2.95Å; R27-S126 VanDerWaalsContact CA-O 3.31Å; R27-S126 WeakPolarHBondContact CA-O 3.46Å; V28-S126 PolarHBondContact N-O 3.34Å
127L86.2Confident72Confident24 Ų2474.4 Ų74.413%0.12636%0.364CS..EExtended strand (participates in β ladder)trans-86126.1175.6-62.5171000109.9V28 L30 A100 S101 E105 E129V28-L127 HydrophobicContact CG1-CD2 3.63Å; V28-L127 CarbonylContact O-C 3.51Å; V28-L127 WeakPolarHBondContact O-CA 3.29Å; L30-L127 HydrophobicContact CD2-CD1 4.06Å; L30-L127 HydrophobicContact CD2-CD2 4.32Å; A100-L127 HydrophobicContact CB-CD2 4.09Å; S101-L127 WeakPolarHBondContact O-CD1 3.37Å; E105-L127 HydrophobicContact CB-CD1 3.85Å; E105-L127 HydrophobicContact CB-CG 4.05Å; L127-E129 PolarHBondContact O-N 2.84Å
128K76.6Confident72.9Confident108 Ų10871.2 Ų71.247%0.4735%0.35SS..EExtended strand (participates in β ladder)trans-77.499.8164.1-72.6-179176.1177.20107.3R27 V28 Q29R27-K128 HydrophobicContact CB-CD 4.29Å; R27-K128 HydrophobicContact CB-CG 4.14Å; V28-K128 PolarHBondContact O-N 2.85Å; Q29-K128 HydrophobicContact CG-CB 4.05Å; Q29-K128 HydrophobicContact CG-CD 4.46Å
129E67.4Low73.7Confident75 Ų7571 Ų7135%0.3535%0.349SS..  trans-73.8130.3171.9-161166.7-14500109.6L127 R131L127-E129 PolarHBondContact O-N 2.84Å; E129-R131 HydrophobicContact CG-CB 3.81Å; E129-R131 HydrophobicContact CG-CG 3.62Å; E129-R131 PolarHBondContact O-N 2.73Å; E129-R131 WeakPolarHBondContact OE1-CD 3.25Å; E129-R131 IonicContact OE1-CZ 2.79Å; E129-R131 IonicContact OE1-NE 2.87Å; E129-R131 PolarHBondContact OE1-NE 2.68Å; E129-R131 IonicContact OE1-NH1 2.95Å; E129-R131 PolarHBondContact OE1-NH1 3.05Å; E129-R131 IonicContact OE1-NH2 3.39Å; E129-R131 PolarHBondContact OE1-NH2 2.81Å; E129-R131 WeakPolarHBondContact OE2-CD 3.35Å; E129-R131 IonicContact OE2-NH1 3.74Å
130T52.3Low74.3Confident122 Ų12270 Ų7075%0.74834%0.344SS*.  trans-82.129.3169.933.30000111.8
131R53.3Low74.4Confident182 Ų18269.8 Ų69.869%0.68735%0.346SS*.SBendtrans-80142173.6-79.2-173.4-169.5156.73.2109E129 T133E129-R131 HydrophobicContact CG-CB 3.81Å; E129-R131 HydrophobicContact CG-CG 3.62Å; E129-R131 PolarHBondContact O-N 2.73Å; E129-R131 WeakPolarHBondContact OE1-CD 3.25Å; E129-R131 IonicContact OE1-CZ 2.79Å; E129-R131 IonicContact OE1-NE 2.87Å; E129-R131 PolarHBondContact OE1-NE 2.68Å; E129-R131 IonicContact OE1-NH1 2.95Å; E129-R131 PolarHBondContact OE1-NH1 3.05Å; E129-R131 IonicContact OE1-NH2 3.39Å; E129-R131 PolarHBondContact OE1-NH2 2.81Å; E129-R131 WeakPolarHBondContact OE2-CD 3.35Å; E129-R131 IonicContact OE2-NH1 3.74Å; R131-T133 PolarHBondContact O-N 3.49Å; R131-T133 VanDerWaalsContact O-N 3.14Å
132R50.8Low73.6Confident227 Ų22774 Ų7486%0.85736%0.359SS*.  trans-38.1122.8173-73.6174.6173.2170.1-3.3107.4S134R132-S134 VanDerWaalsContact C-N 3.27Å; R132-S134 PolarHBondContact O-N 3.44Å
133T46.3Very low72.6Confident122 Ų12274.6 Ų74.675%0.74836%0.363SS*.  trans-46.3102.5167.632.10000106.9R131 N135R131-T133 PolarHBondContact O-N 3.49Å; R131-T133 VanDerWaalsContact O-N 3.14Å; T133-N135 PolarHBondContact O-N 2.62Å
134S56.3Low71.4Confident34 Ų3478.7 Ų78.724%0.23839%0.387CS..  trans-61.9128.4171-54.10000104.6R132 Y136R132-S134 VanDerWaalsContact C-N 3.27Å; R132-S134 PolarHBondContact O-N 3.44Å; S134-Y136 PolarHBondContact O-N 3.35Å; S134-Y136 WeakPolarHBondContact OG-CE2 3.41Å
135N65.9Low69.9Low94 Ų9481 Ų8150%0.50341%0.409SS..  trans-74.747.5-178.3-71.9-22.4000110.5T133 D163T133-N135 PolarHBondContact O-N 2.62Å; N135-D163 WeakPolarHBondContact CB-OD2 3.39Å; N135-D163 PolarHBondContact ND2-OD2 3.46Å
136Y75.5Confident68.1Low31 Ų3188.6 Ų88.612%0.12244%0.444CS..  trans-79125.6176.9-58.9-32.9000108.8S134 F160 L161 T162 T232 C233 L237S134-Y136 PolarHBondContact O-N 3.35Å; S134-Y136 WeakPolarHBondContact OG-CE2 3.41Å; Y136-F160 HydrophobicContact CD1-CE2 4.46Å; Y136-F160 HydrophobicContact CD1-CZ 4.11Å; Y136-F160 HydrophobicContact CG-CE2 4.27Å; Y136-F160 HydrophobicContact CG-CZ 4.26Å; Y136-L161 WeakPolarHBondContact CA-O 3.4Å; Y136-T162 HydrophobicContact CD1-CG2 3.53Å; Y136-T162 HydrophobicContact CE1-CG2 3.83Å; Y136-T232 HydrophobicContact CD2-CG2 3.82Å; Y136-T232 HydrophobicContact CE2-CG2 4.02Å; Y136-T232 HydrophobicContact CG-CG2 4.36Å; Y136-C233 HydrophobicContact CE2-CB 4.11Å; Y136-C233 PolarHBondContact OH-SG 2.97Å; Y136-L237 HydrophobicContact CD2-CD1 4.46Å; Y136-L237 HydrophobicContact CG-CD1 4.3Å
137K81.2Confident66.1Low129 Ų12992.3 Ų92.356%0.56147%0.47SS*.EExtended strand (participates in β ladder)trans-128.1129.7178.8-171.9177.6-179.2178.60110V139 L161K137-V139 HydrophobicContact CD-CG2 4.29Å; K137-V139 HydrophobicContact CG-CG2 4.13Å; K137-L161 HydrophobicContact CB-CB 4.2Å; K137-L161 HydrophobicContact CB-CD1 4.29Å; K137-L161 HydrophobicContact CD-CD1 4.26Å; K137-L161 HydrophobicContact CG-CD1 4.45Å; K137-L161 PolarHBondContact N-O 3.47Å; K137-L161 PolarHBondContact O-N 3.26Å
138V83.3Confident64.4Low18 Ų1895 Ų9511%0.10950%0.496CS..EExtended strand (participates in β ladder)trans-101.7129.6170.3175.50000108.4C158 S159 F160 C228 V230 L237V138-C158 VanDerWaalsContact CG1-SG 3.53Å; V138-S159 CarbonylContact C-O 3.58Å; V138-S159 WeakPolarHBondContact CA-O 3.01Å; V138-F160 HydrophobicContact CG2-CD2 4.12Å; V138-C228 VanDerWaalsContact CG1-SG 3.56Å; V138-V230 HydrophobicContact CG2-CB 3.95Å; V138-V230 HydrophobicContact CG2-CG2 3.79Å; V138-L237 HydrophobicContact CB-CB 4.26Å; V138-L237 HydrophobicContact CG2-CB 3.4Å; V138-L237 VanDerWaalsContact CG2-CB 3.4Å; V138-L237 HydrophobicContact CG2-CD1 4.08Å; V138-L237 HydrophobicContact CG2-CG 4.4Å
139V84.4Confident63Low54 Ų5496.4 Ų96.433%0.32751%0.508SS..EExtended strand (participates in β ladder)trans-124.1115.6176.8-178.30000107.8K137 S159 L161K137-V139 HydrophobicContact CD-CG2 4.29Å; K137-V139 HydrophobicContact CG-CG2 4.13Å; V139-S159 PolarHBondContact N-O 2.8Å; V139-S159 PolarHBondContact O-N 2.87Å; V139-L161 HydrophobicContact CG2-CD1 4.01Å
140Q85.3Confident61.8Low19 Ų1998.9 Ų98.99%0.08953%0.531CS..EExtended strand (participates in β ladder)trans-100.9130.3177-171.2175.1-31.200109.4W177 Y226Q140-W177 HydrophobicContact CG-CH2 4.1Å; Q140-W177 HydrophobicContact CG-CZ3 4.23Å; Q140-Y226 PolarHBondContact NE2-O 3.49Å
141Q79.1Confident61.8Low83 Ų8396.6 Ų96.639%0.38852%0.524SS..PPolyproline II helixtrans-92.1154.1173.9-67-178.9-2.800110.6Q157Q141-Q157 HydrophobicContact CB-CB 4.29Å; Q141-Q157 VanDerWaalsContact CD-OE1 3.28Å; Q141-Q157 PolarHBondContact N-O 3.1Å; Q141-Q157 VanDerWaalsContact NE2-OE1 3.17Å; Q141-Q157 VanDerWaalsContact OE1-OE1 3.06Å
142H67.9Low62.2Low147 Ų14791.4 Ų91.468%0.68151%0.51SS*.PPolyproline II helixtrans-65.9152.2177.4-71.4-78.6000111.6V144H142-V144 PolarHBondContact O-N 2.75Å
143A64.6Low63Low30 Ų3083.2 Ų83.225%0.24849%0.488CS..PPolyproline II helixtrans-56.3119.6170.600000109.6V154 L156A143-V154 HydrophobicContact CB-CG1 3.79Å; A143-L156 HydrophobicContact CB-CD2 3.73Å
144V59.3Low64.4Low91 Ų9178 Ų7855%0.55246%0.455SS*.EExtended strand (participates in β ladder)trans-99.5113.6170.4-175.80000107H142 S155H142-V144 PolarHBondContact O-N 2.75Å; V144-S155 PolarHBondContact N-O 3.44Å
145S55.6Low65.4Low85 Ų8579.1 Ų79.159%0.59446%0.464SS*.EExtended strand (participates in β ladder)trans-78.6125.9167.751.40000108.8
146H51.1Low66.1Low159 Ų15974.9 Ų74.974%0.73644%0.441SS*.  trans-93.997.5173.4-137.2147.3000107.6
147S46.1Very low66.6Low104 Ų10475.5 Ų75.573%0.72745%0.445SS*.  trans-78.9126.3-179175.40000111.8
148A50.1Low66.7Low82 Ų8269.4 Ų69.468%0.67842%0.418SS*.SBendtrans-163.2-17.3147.200000114.4
149N47.1Very low66.8Low137 Ų13768.6 Ų68.673%0.73341%0.414SS*.SBendtrans-164.3162.2-178.4-95.7-35.7000113.3A151N149-A151 VanDerWaalsContact C-N 3.29Å; N149-A151 PolarHBondContact O-N 3.08Å
150P43.4Very low66.7Low126 Ų12666.3 Ų66.382%0.81840%0.399SS*.SBendtrans-80.534-150.733.4-38000117.1
151A52.3Low66.6Low75 Ų7566.6 Ų66.662%0.6240%0.401SS*.SBendtrans-126.180.2164.400000107.1N149 S153N149-A151 VanDerWaalsContact C-N 3.29Å; N149-A151 PolarHBondContact O-N 3.08Å; A151-S153 PolarHBondContact O-N 3.28Å
152D61.1Low66.4Low72 Ų7263.5 Ų63.539%0.38539%0.388SS..  trans-66.493-172.4-70.2-36.2000110.3V154 A218D152-V154 PolarHBondContact O-N 3.46Å; D152-A218 PolarHBondContact O-N 2.93Å
153S66.3Low66.5Low55 Ų5558.8 Ų58.839%0.38537%0.368SS..EExtended strand (participates in β ladder)trans-72.9115.8170.364.40000108.5A151 M216A151-S153 PolarHBondContact O-N 3.28Å; S153-M216 CarbonylContact C-O 3.58Å; S153-M216 WeakPolarHBondContact CA-O 3.42Å
154V75.8Confident66.3Low12 Ų1259.5 Ų59.57%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-95.4130.7175.8174.40000108.4A143 D152 S215 M216 A218 L244A143-V154 HydrophobicContact CB-CG1 3.79Å; D152-V154 PolarHBondContact O-N 3.46Å; V154-S215 WeakPolarHBondContact O-CA 3.32Å; V154-M216 PolarHBondContact N-O 3.44Å; V154-M216 PolarHBondContact O-N 3.11Å; V154-A218 HydrophobicContact CB-CB 4.28Å; V154-A218 HydrophobicContact CG2-CB 3.51Å; V154-L244 HydrophobicContact CB-CD1 4.4Å; V154-L244 HydrophobicContact CG1-CD1 4.03Å; V154-L244 HydrophobicContact CG1-CD2 4.4Å; V154-L244 HydrophobicContact CG2-CD1 3.67Å; V154-L244 HydrophobicContact CG2-CD2 4.33Å
155S77.8Confident66Low59 Ų5962.5 Ų62.541%0.41338%0.384SS..EExtended strand (participates in β ladder)trans-111131.417465.20000110.9V144 F214V144-S155 PolarHBondContact N-O 3.44Å; S155-F214 CarbonylContact C-O 3.59Å; S155-F214 WeakPolarHBondContact CA-O 3.19Å
156L80.4Confident66Low5 Ų561.3 Ų61.33%0.02637%0.369CS..EExtended strand (participates in β ladder)trans-116.7135.8174.7-67.9174000109.1A143 W177 N213 F214 Y226 A242A143-L156 HydrophobicContact CB-CD2 3.73Å; L156-W177 HydrophobicContact CB-CH2 3.53Å; L156-W177 HydrophobicContact CB-CZ2 3.8Å; L156-W177 HydrophobicContact CB-CZ3 3.94Å; L156-W177 HydrophobicContact CD1-CE3 4.12Å; L156-W177 HydrophobicContact CD1-CH2 4.41Å; L156-W177 HydrophobicContact CD1-CZ3 3.94Å; L156-W177 HydrophobicContact CG-CH2 4.48Å; L156-W177 HydrophobicContact CG-CZ3 4.45Å; L156-N213 WeakPolarHBondContact O-CA 3.2Å; L156-F214 HydrophobicContact CD1-CD1 4.26Å; L156-F214 PolarHBondContact N-O 3.21Å; L156-F214 PolarHBondContact O-N 3.23Å; L156-Y226 VanDerWaalsContact CD1-CB 3.49Å; L156-Y226 HydrophobicContact CD1-CD1 3.63Å; L156-Y226 HydrophobicContact CD1-CD2 4.46Å; L156-Y226 HydrophobicContact CD1-CE1 4.49Å; L156-Y226 HydrophobicContact CD1-CG 3.62Å; L156-A242 HydrophobicContact CD2-CB 3.68Å
157Q85.8Confident66.1Low44 Ų4463 Ų6321%0.20637%0.374CS..EExtended strand (participates in β ladder)trans-122.2133.9179.2-179.4173.2111.700110.9Q141 I211 Y212 N213Q141-Q157 HydrophobicContact CB-CB 4.29Å; Q141-Q157 VanDerWaalsContact CD-OE1 3.28Å; Q141-Q157 PolarHBondContact N-O 3.1Å; Q141-Q157 VanDerWaalsContact NE2-OE1 3.17Å; Q141-Q157 VanDerWaalsContact OE1-OE1 3.06Å; Q157-I211 VanDerWaalsContact CD-CG2 3.41Å; Q157-I211 HydrophobicContact CG-CG2 3.55Å; Q157-Y212 WeakPolarHBondContact CA-O 3.12Å; Q157-N213 VanDerWaalsContact CG-OD1 3.31Å; Q157-N213 WeakPolarHBondContact CG-OD1 3.31Å; Q157-N213 PolarHBondContact NE2-OD1 2.66Å
158C84.6Confident66.6Low0 Ų062.2 Ų62.20%037%0.367CS..EExtended strand (participates in β ladder)trans-125130.4173.6-171.80000110.2V138 W177 Y212 C228V138-C158 VanDerWaalsContact CG1-SG 3.53Å; C158-W177 HydrophobicContact CB-CH2 3.93Å; C158-W177 HydrophobicContact CB-CZ2 3.7Å; C158-Y212 PolarHBondContact N-O 2.85Å; C158-Y212 PolarHBondContact O-N 2.96Å; C158-C228 HydrophobicContact CB-CB 3.41Å; C158-C228 VanDerWaalsContact CB-CB 3.41Å; C158-C228 WeakPolarHBondContact CB-SG 3.14Å; C158-C228 WeakPolarHBondContact SG-CB 3.37Å; C158-C228 CovalentContact SG-SG 2.04Å; C158-C228 PolarHBondContact SG-SG 2.99Å
159S85.1Confident66.9Low1 Ų160.8 Ų60.81%0.00735%0.351CS..EExtended strand (participates in β ladder)trans-112.3127.4178.5-69.20000110.6V138 V139 R209 C210V138-S159 CarbonylContact C-O 3.58Å; V138-S159 WeakPolarHBondContact CA-O 3.01Å; V139-S159 PolarHBondContact N-O 2.8Å; V139-S159 PolarHBondContact O-N 2.87Å; S159-R209 PolarHBondContact OG-NE 2.83Å; S159-R209 PolarHBondContact OG-NH2 3.04Å; S159-R209 VanDerWaalsContact OG-NH2 3.07Å; S159-C210 CarbonylContact C-O 3.55Å; S159-C210 WeakPolarHBondContact CA-O 3.28Å
160F82.8Confident67.3Low6 Ų660.7 Ų60.73%0.02636%0.361CS..EExtended strand (participates in β ladder)trans-104.4125.3172.1177-117.5000109.9Y136 V138 T162 P173 R209 C210 Y212 V230 T232 L237Y136-F160 HydrophobicContact CD1-CE2 4.46Å; Y136-F160 HydrophobicContact CD1-CZ 4.11Å; Y136-F160 HydrophobicContact CG-CE2 4.27Å; Y136-F160 HydrophobicContact CG-CZ 4.26Å; V138-F160 HydrophobicContact CG2-CD2 4.12Å; F160-T162 HydrophobicContact CD1-CG2 3.89Å; F160-T162 HydrophobicContact CE1-CG2 3.12Å; F160-T162 HydrophobicContact CE2-CG2 3.98Å; F160-T162 HydrophobicContact CZ-CG2 3.16Å; F160-P173 HydrophobicContact CD1-CB 4.36Å; F160-P173 HydrophobicContact CD1-CG 4.29Å; F160-P173 HydrophobicContact CE1-CB 4.05Å; F160-P173 HydrophobicContact CE1-CG 3.71Å; F160-P173 HydrophobicContact CZ-CG 4.46Å; F160-R209 WeakPolarHBondContact O-CA 3.47Å; F160-C210 HydrophobicContact CB-CB 4.39Å; F160-C210 PolarHBondContact N-O 2.81Å; F160-C210 PolarHBondContact O-N 2.84Å; F160-Y212 HydrophobicContact CB-CE2 4.35Å; F160-V230 HydrophobicContact CB-CG2 4.4Å; F160-V230 HydrophobicContact CD1-CG1 4.49Å; F160-V230 HydrophobicContact CD2-CB 4.28Å; F160-V230 HydrophobicContact CD2-CG1 3.76Å; F160-V230 HydrophobicContact CD2-CG2 4.47Å; F160-V230 HydrophobicContact CE2-CG1 4.02Å; F160-V230 HydrophobicContact CG-CG1 4.02Å; F160-T232 HydrophobicContact CE2-CG2 3.94Å; F160-T232 HydrophobicContact CZ-CG2 3.74Å; F160-L237 HydrophobicContact CE2-CD1 3.93Å
161L82Confident68Low25 Ų2562 Ų6213%0.13136%0.356CS..EExtended strand (participates in β ladder)trans-115.4133-176.3-61.2169.2000110.2Y136 K137 V139 R209Y136-L161 WeakPolarHBondContact CA-O 3.4Å; K137-L161 HydrophobicContact CB-CB 4.2Å; K137-L161 HydrophobicContact CB-CD1 4.29Å; K137-L161 HydrophobicContact CD-CD1 4.26Å; K137-L161 HydrophobicContact CG-CD1 4.45Å; K137-L161 PolarHBondContact N-O 3.47Å; K137-L161 PolarHBondContact O-N 3.26Å; V139-L161 HydrophobicContact CG2-CD1 4.01Å; L161-R209 HydrophobicContact CD2-CB 3.83Å; L161-R209 HydrophobicContact CD2-CG 3.67Å
162T76.4Confident68.5Low18 Ų1865.8 Ų65.811%0.1136%0.361CS..EExtended strand (participates in β ladder)trans-141143.9176.564.50000111.4Y136 F160 Q207 K208Y136-T162 HydrophobicContact CD1-CG2 3.53Å; Y136-T162 HydrophobicContact CE1-CG2 3.83Å; F160-T162 HydrophobicContact CD1-CG2 3.89Å; F160-T162 HydrophobicContact CE1-CG2 3.12Å; F160-T162 HydrophobicContact CE2-CG2 3.98Å; F160-T162 HydrophobicContact CZ-CG2 3.16Å; T162-Q207 CarbonylContact O-C 3.47Å; T162-Q207 WeakPolarHBondContact O-CA 3.22Å; T162-Q207 WeakPolarHBondContact O-CG 3.41Å; T162-K208 PolarHBondContact N-O 3.43Å; T162-K208 PolarHBondContact O-N 2.89Å; T162-K208 WeakPolarHBondContact OG1-CB 3.26Å
163D69.9Low68.9Low48 Ų4864.5 Ų64.526%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-78.2136.6172.2-68-23.4000110.5N135 D165 Q166N135-D163 WeakPolarHBondContact CB-OD2 3.39Å; N135-D163 PolarHBondContact ND2-OD2 3.46Å; D163-D165 VanDerWaalsContact C-N 3.32Å; D163-D165 PolarHBondContact O-N 2.81Å; D163-Q166 PolarHBondContact O-N 2.74Å
164S58.6Low69.3Low45 Ų4564.6 Ų64.632%0.31536%0.358SS..THydrogen-bonded Turntrans-67.5-25.7-168.9-175.80000114.3Q166 I206S164-Q166 PolarHBondContact O-N 2.8Å; S164-I206 VanDerWaalsContact CB-O 3.32Å; S164-I206 WeakPolarHBondContact CB-O 3.03Å; S164-I206 PolarHBondContact N-O 2.02Å
165D54.8Low69.3Low155 Ų15564.1 Ų64.183%0.82936%0.355SS*.THydrogen-bonded Turntrans-77.4-4.6-175.1-66.9-28.1000113.7D163D163-D165 VanDerWaalsContact C-N 3.32Å; D163-D165 PolarHBondContact O-N 2.81Å
166Q55.5Low69.3Low59 Ų5962.9 Ų62.928%0.27634%0.342SS..SBendtrans-88.8121.9176-61-168.9-9.800109.4D163 S164 P168D163-Q166 PolarHBondContact O-N 2.74Å; S164-Q166 PolarHBondContact O-N 2.8Å; Q166-P168 WeakPolarHBondContact O-CD 3.27Å
167K52.3Low69.2Low195 Ų19562.7 Ų62.785%0.84834%0.341SS*.PPolyproline II helixtrans-52.6116.2170.2-169.2178.2-175.6-179.10106.8C169K167-C169 PolarHBondContact O-N 2.89Å
168P56.3Low68.9Low87 Ų8761 Ų6157%0.56533%0.333SS*.PPolyproline II helixtrans-58.7140.2177.624.1-31.3000107.6Q166Q166-P168 WeakPolarHBondContact O-CD 3.27Å
169C57.7Low68.6Low52 Ų5262.4 Ų62.435%0.35134%0.339SS..PPolyproline II helixtrans-52.6144.7163.8-65.60000108.2K167 E171 C233K167-C169 PolarHBondContact O-N 2.89Å; C169-E171 PolarHBondContact O-N 2.97Å; C169-C233 HydrophobicContact CB-CB 4.15Å; C169-C233 WeakPolarHBondContact CB-SG 3.41Å; C169-C233 WeakPolarHBondContact SG-CA 3.41Å; C169-C233 WeakPolarHBondContact SG-CB 3.28Å; C169-C233 CovalentContact SG-SG 2.02Å; C169-C233 PolarHBondContact SG-SG 2.84Å
170S54Low67.9Low136 Ų13663.9 Ų63.995%0.95135%0.351SS*.SBendtrans-60.1-16.2-178.8-74.10000113.1
171E58.4Low67Low152 Ų15264.2 Ų64.271%0.7136%0.355SS*.SBendtrans-90.2130.8174.1-65.9178.3-178.700111.3C169C169-E171 PolarHBondContact O-N 2.97Å
172E62.9Low65.7Low155 Ų15568.7 Ų68.772%0.72439%0.389SS*.PPolyproline II helixtrans-67.2141.2173.4-69.6-179.9169.200111S174E172-S174 PolarHBondContact O-N 2.92Å
173P70.3Confident64.7Low45 Ų4574.1 Ų74.129%0.29242%0.417SS..PPolyproline II helixtrans-59.2131.1177-21.231.3000111.8F160 V230 A231F160-P173 HydrophobicContact CD1-CB 4.36Å; F160-P173 HydrophobicContact CD1-CG 4.29Å; F160-P173 HydrophobicContact CE1-CB 4.05Å; F160-P173 HydrophobicContact CE1-CG 3.71Å; F160-P173 HydrophobicContact CZ-CG 4.46Å; P173-V230 HydrophobicContact CB-CG1 4.12Å; P173-A231 WeakPolarHBondContact CA-O 3.22Å
174S73.3Confident63.7Low57 Ų5775.3 Ų75.340%0.39942%0.42SS..EExtended strand (participates in β ladder)trans-103.8132.6177.3-59.10000111E172 V230 A231E172-S174 PolarHBondContact O-N 2.92Å; S174-V230 CarbonylContact O-C 3.55Å; S174-V230 WeakPolarHBondContact O-CA 3.46Å; S174-A231 PolarHBondContact N-O 2.88Å; S174-A231 PolarHBondContact O-N 2.9Å
175M76.6Confident63.3Low3 Ų377.7 Ų77.72%0.01544%0.437CS..EExtended strand (participates in β ladder)trans-110.8137.3-177.8-171.6-78.1-79.700111.8W177 Y191 D193 Y212 A229 V230M175-W177 VanDerWaalsContact SD-CD1 3.54Å; M175-W177 HydrophobicContact SD-CG 4.24Å; M175-Y191 HydrophobicContact CE-CE1 4.48Å; M175-D193 HydrophobicContact CE-CB 4.43Å; M175-D193 PolarHBondContact O-N 3.43Å; M175-Y212 HydrophobicContact CB-CD1 3.9Å; M175-Y212 HydrophobicContact CB-CD2 4.27Å; M175-Y212 HydrophobicContact CB-CE1 3.92Å; M175-Y212 HydrophobicContact CB-CE2 4.31Å; M175-Y212 HydrophobicContact CB-CG 4.08Å; M175-Y212 HydrophobicContact CE-CD1 3.95Å; M175-Y212 HydrophobicContact CE-CG 3.8Å; M175-Y212 HydrophobicContact CG-CD1 4.2Å; M175-Y212 HydrophobicContact CG-CD2 4.06Å; M175-Y212 HydrophobicContact CG-CG 3.91Å; M175-A229 WeakPolarHBondContact CA-O 3.4Å; M175-V230 HydrophobicContact CG-CG2 4.31Å
176F78.4Confident63Low33 Ų3374.3 Ų74.315%0.14541%0.413CS..EExtended strand (participates in β ladder)trans-130.3140.4-179.5-51.8-86.7000110.7L189 Y191 T192 C228 A229 A231F176-L189 HydrophobicContact CB-CD1 4.06Å; F176-L189 HydrophobicContact CD1-CD1 4.26Å; F176-Y191 WeakPolarHBondContact CA-O 3.43Å; F176-T192 HydrophobicContact CD1-CG2 3.61Å; F176-T192 HydrophobicContact CE1-CG2 3.85Å; F176-C228 CarbonylContact O-C 3.54Å; F176-C228 WeakPolarHBondContact O-CA 3.5Å; F176-A229 HydrophobicContact CB-CB 4.4Å; F176-A229 PolarHBondContact N-O 3.48Å; F176-A229 PolarHBondContact O-N 3.01Å; F176-A231 HydrophobicContact CE2-CB 3.91Å
177W78.3Confident63.1Low0 Ų073.9 Ų73.90%042%0.415CS..EExtended strand (participates in β ladder)trans-105.6133165.6-72.7100.2000111Q140 L156 C158 M175 I190 Y191 F214 Y227 C228Q140-W177 HydrophobicContact CG-CH2 4.1Å; Q140-W177 HydrophobicContact CG-CZ3 4.23Å; L156-W177 HydrophobicContact CB-CH2 3.53Å; L156-W177 HydrophobicContact CB-CZ2 3.8Å; L156-W177 HydrophobicContact CB-CZ3 3.94Å; L156-W177 HydrophobicContact CD1-CE3 4.12Å; L156-W177 HydrophobicContact CD1-CH2 4.41Å; L156-W177 HydrophobicContact CD1-CZ3 3.94Å; L156-W177 HydrophobicContact CG-CH2 4.48Å; L156-W177 HydrophobicContact CG-CZ3 4.45Å; C158-W177 HydrophobicContact CB-CH2 3.93Å; C158-W177 HydrophobicContact CB-CZ2 3.7Å; M175-W177 VanDerWaalsContact SD-CD1 3.54Å; M175-W177 HydrophobicContact SD-CG 4.24Å; W177-I190 PolarHBondContact O-N 3.27Å; W177-Y191 AromaticContact CD1-CD1 3.86Å; W177-Y191 PolarHBondContact N-O 2.8Å; W177-Y191 PolarHBondContact O-N 2.84Å; W177-F214 AromaticContact CD1-CG 3.92Å; W177-F214 HydrophobicContact CD2-CB 4.41Å; W177-F214 HydrophobicContact CG-CB 4.29Å; W177-F214 HydrophobicContact CG-CG 4.35Å; W177-F214 HydrophobicContact CZ2-CB 4.42Å; W177-F214 VanDerWaalsContact NE1-CB 3.26Å; W177-Y227 WeakPolarHBondContact CA-O 3.49Å; W177-C228 HydrophobicContact CD2-CB 4.13Å; W177-C228 HydrophobicContact CE3-CB 3.9Å; W177-C228 HydrophobicContact CH2-CB 3.81Å; W177-C228 HydrophobicContact CZ2-CB 4.05Å; W177-C228 HydrophobicContact CZ3-CB 3.74Å
178I79.2Confident63.6Low9 Ų966.2 Ų66.25%0.04638%0.384CS..EExtended strand (participates in β ladder)trans-126.6126.6-171.9-56.8169.9000108.3I3 P187 D188 L189 Y226 Y227 A229I3-I178 HydrophobicContact CD1-CD1 3.64Å; I3-I178 HydrophobicContact CG2-CD1 4.15Å; I178-P187 HydrophobicContact CG2-CB 3.46Å; I178-P187 VanDerWaalsContact CG2-CB 3.46Å; I178-P187 HydrophobicContact CG2-CG 4.19Å; I178-D188 CarbonylContact C-O 3.53Å; I178-D188 WeakPolarHBondContact CA-O 3.32Å; I178-L189 HydrophobicContact CG1-CD1 4.26Å; I178-Y226 CarbonylContact O-C 3.56Å; I178-Y226 WeakPolarHBondContact O-CA 3.43Å; I178-Y227 PolarHBondContact N-O 2.98Å; I178-Y227 PolarHBondContact O-N 3.36Å; I178-A229 HydrophobicContact CD1-CB 3.75Å
179R77.3Confident63.9Low30 Ų3064.4 Ų64.411%0.11337%0.369CS..EExtended strand (participates in β ladder)trans-90.8132.8169.6-141.1167.750.1125.7-12.6109.4P187 D188 I190 S221 V223 T225 Y226R179-P187 CarbonylContact O-C 3.55Å; R179-P187 VanDerWaalsContact O-C 3.29Å; R179-P187 WeakPolarHBondContact O-CA 3.49Å; R179-P187 WeakPolarHBondContact O-CB 3.21Å; R179-D188 HydrophobicContact CB-CB 4.14Å; R179-D188 IonicContact CZ-OD2 3.05Å; R179-D188 PolarHBondContact N-O 3.37Å; R179-D188 IonicContact NE-OD2 2.99Å; R179-D188 PolarHBondContact NE-OD2 2.81Å; R179-D188 IonicContact NH2-OD2 2.62Å; R179-D188 PolarHBondContact NH2-OD2 2.84Å; R179-D188 PolarHBondContact O-N 2.91Å; R179-I190 HydrophobicContact CB-CD1 3.4Å; R179-I190 HydrophobicContact CB-CG1 3.72Å; R179-I190 HydrophobicContact CG-CD1 3.73Å; R179-S221 PolarHBondContact NH1-O 2.81Å; R179-V223 PolarHBondContact NH1-O 2.89Å; R179-T225 CarbonylContact C-O 3.58Å; R179-T225 WeakPolarHBondContact CA-O 3.28Å; R179-Y226 WeakPolarHBondContact CD-OH 3.38Å; R179-Y226 HydrophobicContact CG-CD1 4.49Å; R179-Y226 HydrophobicContact CG-CD2 4.41Å; R179-Y226 HydrophobicContact CG-CE1 4.15Å; R179-Y226 HydrophobicContact CG-CE2 3.99Å
180A70.9Confident64.3Low32 Ų3264.4 Ų64.426%0.26437%0.365SS..EExtended strand (participates in β ladder)trans-100112155.100000107.8T225 Y227A180-T225 PolarHBondContact N-O 2.69Å; A180-T225 PolarHBondContact O-N 3.13Å; A180-Y227 HydrophobicContact CB-CD2 4.46Å; A180-Y227 HydrophobicContact CB-CE2 3.84Å
181G63Low64.6Low12 Ų1261.3 Ų61.312%0.12433%0.333CS..  trans-73.3147.416900000110.4D183G181-D183 VanDerWaalsContact C-N 3.26Å
182S55.1Low64.5Low119 Ų11957.7 Ų57.783%0.83232%0.321SS*.SBendtrans-73.3-20.4175.747.40000113
183D56.6Low64.2Low133 Ų13351.6 Ų51.671%0.71129%0.294SS*.SBendtrans-105.9-5.7-176.863.6-31.2000113.6G181G181-D183 VanDerWaalsContact C-N 3.26Å
184K48.3Very low63.2Low73 Ų7352.7 Ų52.732%0.31731%0.313SS..  trans-106.6135.9-177.2-64.1-171.4178.9-172.70111.8Y186 D188K184-Y186 WeakPolarHBondContact CB-O 3.29Å; K184-Y186 HydrophobicContact CD-CE2 4.49Å; K184-Y186 PolarHBondContact O-N 3.46Å; K184-D188 VanDerWaalsContact NZ-CG 3.29Å; K184-D188 IonicContact NZ-OD1 3.49Å; K184-D188 PolarHBondContact NZ-OD1 3.02Å; K184-D188 IonicContact NZ-OD2 2.68Å; K184-D188 PolarHBondContact NZ-OD2 3.37Å
185S49.4Very low62.1Low94 Ų9458.3 Ų58.366%0.65733%0.33SS*.SBendtrans-72.6-11.8173.655.50000113.5
186Y49.3Very low60.8Low84 Ų8469.4 Ų69.433%0.32937%0.372SS..SBendtrans-132.3146.4179.653.2-92.5000110.8K184K184-Y186 WeakPolarHBondContact CB-O 3.29Å; K184-Y186 HydrophobicContact CD-CE2 4.49Å; K184-Y186 PolarHBondContact O-N 3.46Å
187P57.8Low59.5Low50 Ų5070.1 Ų70.133%0.32538%0.381SS..  trans-68.8153.6172.127.9-31.6000110.9F7 I178 R179F7-P187 WeakPolarHBondContact CE1-O 3.39Å; F7-P187 HydrophobicContact CE2-CG 4.36Å; F7-P187 HydrophobicContact CZ-CB 4.3Å; F7-P187 HydrophobicContact CZ-CG 3.94Å; F7-P187 WeakPolarHBondContact CZ-O 3.39Å; I178-P187 HydrophobicContact CG2-CB 3.46Å; I178-P187 VanDerWaalsContact CG2-CB 3.46Å; I178-P187 HydrophobicContact CG2-CG 4.19Å; R179-P187 CarbonylContact O-C 3.55Å; R179-P187 VanDerWaalsContact O-C 3.29Å; R179-P187 WeakPolarHBondContact O-CA 3.49Å; R179-P187 WeakPolarHBondContact O-CB 3.21Å
188D62.3Low58.6Low34 Ų3472.9 Ų72.918%0.18240%0.4CS..EExtended strand (participates in β ladder)trans-96.8131.8169.9-65.4-38000109.7I178 R179 K184 I190I178-D188 CarbonylContact C-O 3.53Å; I178-D188 WeakPolarHBondContact CA-O 3.32Å; R179-D188 HydrophobicContact CB-CB 4.14Å; R179-D188 IonicContact CZ-OD2 3.05Å; R179-D188 PolarHBondContact N-O 3.37Å; R179-D188 IonicContact NE-OD2 2.99Å; R179-D188 PolarHBondContact NE-OD2 2.81Å; R179-D188 IonicContact NH2-OD2 2.62Å; R179-D188 PolarHBondContact NH2-OD2 2.84Å; R179-D188 PolarHBondContact O-N 2.91Å; K184-D188 VanDerWaalsContact NZ-CG 3.29Å; K184-D188 IonicContact NZ-OD1 3.49Å; K184-D188 PolarHBondContact NZ-OD1 3.02Å; K184-D188 IonicContact NZ-OD2 2.68Å; K184-D188 PolarHBondContact NZ-OD2 3.37Å; D188-I190 PolarHBondContact O-N 2.79Å
189L63.1Low57.8Low49 Ų4976.1 Ų76.126%0.25742%0.421SS..EExtended strand (participates in β ladder)trans-80.1107.3169.1-178.767.6000108.7F4 F7 F176 I178 T192F4-L189 HydrophobicContact CD2-CD2 3.86Å; F4-L189 HydrophobicContact CE2-CD2 3.84Å; F7-L189 HydrophobicContact CE1-CB 4.25Å; F7-L189 HydrophobicContact CE2-CB 4.25Å; F7-L189 HydrophobicContact CZ-CB 4Å; F176-L189 HydrophobicContact CB-CD1 4.06Å; F176-L189 HydrophobicContact CD1-CD1 4.26Å; I178-L189 HydrophobicContact CG1-CD1 4.26Å; L189-T192 HydrophobicContact CD1-CG2 4.38Å; L189-T192 HydrophobicContact CD2-CG2 3.79Å; L189-T192 HydrophobicContact CG-CG2 4.27Å
190I64.9Low57.5Low53 Ų5378.1 Ų78.127%0.27244%0.438SS..EExtended strand (participates in β ladder)trans-87.7-35.7-172.3-45176.5000111W177 R179 D188 F214 M216 Y226W177-I190 PolarHBondContact O-N 3.27Å; R179-I190 HydrophobicContact CB-CD1 3.4Å; R179-I190 HydrophobicContact CB-CG1 3.72Å; R179-I190 HydrophobicContact CG-CD1 3.73Å; D188-I190 PolarHBondContact O-N 2.79Å; I190-F214 HydrophobicContact CG2-CZ 3.95Å; I190-M216 HydrophobicContact CG2-SD 4.5Å; I190-Y226 HydrophobicContact CD1-CD1 3.37Å; I190-Y226 HydrophobicContact CD1-CE1 3.07Å; I190-Y226 HydrophobicContact CD1-CG 4.49Å
191Y61.2Low57.2Low70 Ų7081.7 Ų81.728%0.27545%0.449SS..EExtended strand (participates in β ladder)trans-154.4135.9-170.7-176.1-107.6000112.4M175 F176 W177 D193 F214M175-Y191 HydrophobicContact CE-CE1 4.48Å; F176-Y191 WeakPolarHBondContact CA-O 3.43Å; W177-Y191 AromaticContact CD1-CD1 3.86Å; W177-Y191 PolarHBondContact N-O 2.8Å; W177-Y191 PolarHBondContact O-N 2.84Å; Y191-D193 HydrophobicContact CD1-CB 4.24Å; Y191-D193 HydrophobicContact CE1-CB 3.4Å; Y191-D193 VanDerWaalsContact CE1-CB 3.4Å; Y191-D193 PolarHBondContact OH-OD1 3.2Å; Y191-F214 AromaticContact CD1-CD2 3.97Å; Y191-F214 HydrophobicContact CD1-CD2 3.97Å; Y191-F214 HydrophobicContact CD2-CD2 4.23Å; Y191-F214 HydrophobicContact CD2-CE2 4.13Å; Y191-F214 HydrophobicContact CE1-CD2 4.34Å; Y191-F214 AromaticContact CG-CD2 3.84Å; Y191-F214 HydrophobicContact CG-CD2 3.84Å; Y191-F214 AromaticContact CG-CE2 3.94Å; Y191-F214 HydrophobicContact CG-CE2 3.94Å
192T56Low57Low77 Ų7789.3 Ų89.347%0.47248%0.479SS..EExtended strand (participates in β ladder)trans-118.8106.9169.656.50000105.4F176 L189 G194F176-T192 HydrophobicContact CD1-CG2 3.61Å; F176-T192 HydrophobicContact CE1-CG2 3.85Å; L189-T192 HydrophobicContact CD1-CG2 4.38Å; L189-T192 HydrophobicContact CD2-CG2 3.79Å; L189-T192 HydrophobicContact CG-CG2 4.27Å; T192-G194 PolarHBondContact O-N 2.79Å
193D57.6Low56.9Low27 Ų2790.7 Ų90.714%0.14447%0.466CS..EExtended strand (participates in β ladder)trans-78.1114.7173.7-160.6-5.8000108M175 Y191 K195 R196 S197M175-D193 HydrophobicContact CE-CB 4.43Å; M175-D193 PolarHBondContact O-N 3.43Å; Y191-D193 HydrophobicContact CD1-CB 4.24Å; Y191-D193 HydrophobicContact CE1-CB 3.4Å; Y191-D193 VanDerWaalsContact CE1-CB 3.4Å; Y191-D193 PolarHBondContact OH-OD1 3.2Å; D193-K195 PolarHBondContact OD1-N 2.96Å; D193-R196 PolarHBondContact OD1-N 2.86Å; D193-R196 PolarHBondContact OD2-N 2.83Å; D193-S197 PolarHBondContact OD2-N 3.13Å
194G47.8Very low56.7Low67 Ų6789.2 Ų89.269%0.69147%0.472SS*.SBendtrans-83.1-23.6170.400000113.7T192T192-G194 PolarHBondContact O-N 2.79Å
195K52.1Low56.9Low175 Ų17588.8 Ų88.876%0.76149%0.489SS*.SBendtrans176.915.2-178-115.4162-172.9178.90120.1D193D193-K195 PolarHBondContact OD1-N 2.96Å
196R48.4Very low57.5Low237 Ų23790.1 Ų90.189%0.89449%0.487SS*.SBendtrans-118.10.5-163.5-97.2-177.8176177.2-0.8120.5D193D193-R196 PolarHBondContact OD1-N 2.86Å; D193-R196 PolarHBondContact OD2-N 2.83Å
197S51.8Low58.1Low47 Ų4789.9 Ų89.933%0.32949%0.489SS..SBendtrans-153.243.2169.2-167.50000114.4D193D193-S197 PolarHBondContact OD2-N 3.13Å
198S58Low58.9Low59 Ų5990.4 Ų90.441%0.41349%0.487SS..EExtended strand (participates in β ladder)trans-98.6110174.763.70000110.7I211S198-I211 WeakPolarHBondContact CA-O 3.33Å
199T63.8Low59.6Low77 Ų7791.6 Ų91.647%0.47249%0.488SS..EExtended strand (participates in β ladder)trans-96.4103167-49.80000107.3E201 I211T199-E201 HydrophobicContact CG2-CG 4.09Å; T199-I211 PolarHBondContact N-O 3.24Å; T199-I211 VanDerWaalsContact N-O 3.1Å; T199-I211 PolarHBondContact O-N 2.99Å
200C69.1Low60.4Low72 Ų7290 Ų9049%0.48648%0.481SS..EExtended strand (participates in β ladder)trans-97.1102.7175.4-69.70000109.4R209 C210C200-R209 CarbonylContact C-O 3.54Å; C200-R209 WeakPolarHBondContact CA-O 3.27Å; C200-C210 HydrophobicContact CB-CB 4.19Å; C200-C210 WeakPolarHBondContact CB-SG 3.44Å; C200-C210 WeakPolarHBondContact SG-CB 2.94Å; C200-C210 CovalentContact SG-SG 2.05Å; C200-C210 PolarHBondContact SG-SG 3.5Å
201E65.8Low61.2Low106 Ų10688.9 Ų88.950%0.49548%0.475SS..EExtended strand (participates in β ladder)trans-96138.6176.6-66.6179-17900110.4T199 R209T199-E201 HydrophobicContact CG2-CG 4.09Å; E201-R209 PolarHBondContact N-O 3.32Å; E201-R209 PolarHBondContact O-N 3.24Å
202K57.6Low62Low173 Ų17386.3 Ų86.375%0.75247%0.465SS*.EExtended strand (participates in β ladder)trans-90.4104.3165.3-65.4-178.7-177.2175.70107.4A204 K208K202-A204 PolarHBondContact O-N 3.04Å; K202-K208 HydrophobicContact CG-CG 4.36Å
203R54.2Low63.1Low147 Ų14785.7 Ų85.756%0.55546%0.459SS*.EExtended strand (participates in β ladder)trans-78.9117.7170.5-81.7-175.3177.5-167.9-4.3108.8G205 I206 Q207R203-G205 VanDerWaalsContact C-N 3.34Å; R203-G205 PolarHBondContact O-N 2.91Å; R203-I206 PolarHBondContact O-N 2.94Å; R203-Q207 PolarHBondContact N-O 3.04Å
204A52.3Low64.1Low102 Ų10285.5 Ų85.584%0.84346%0.457SS*.THydrogen-bonded Turntrans23.963.9166.100000115.4K202 I206K202-A204 PolarHBondContact O-N 3.04Å; A204-I206 PolarHBondContact O-N 2.81Å; A204-I206 VanDerWaalsContact O-N 3.14Å
205G53.4Low65.4Low64 Ų6486.8 Ų86.866%0.6646%0.456SS*.THydrogen-bonded Turntrans79.5-16.3162.300000119.1R203R203-G205 VanDerWaalsContact C-N 3.34Å; R203-G205 PolarHBondContact O-N 2.91Å
206I60.2Low66.5Low123 Ų12380.5 Ų80.563%0.63143%0.429SS*.THydrogen-bonded Turntrans-120-34.5-168.3-55176.6000113.9S164 R203 A204S164-I206 VanDerWaalsContact CB-O 3.32Å; S164-I206 WeakPolarHBondContact CB-O 3.03Å; S164-I206 PolarHBondContact N-O 2.02Å; R203-I206 PolarHBondContact O-N 2.94Å; A204-I206 PolarHBondContact O-N 2.81Å; A204-I206 VanDerWaalsContact O-N 3.14Å
207Q63Low67.6Low78 Ų7875 Ų7536%0.36442%0.417SS..EExtended strand (participates in β ladder)trans-132.7127.5-174.3-162.9177.636.800111.8T162 R203T162-Q207 CarbonylContact O-C 3.47Å; T162-Q207 WeakPolarHBondContact O-CA 3.22Å; T162-Q207 WeakPolarHBondContact O-CG 3.41Å; R203-Q207 PolarHBondContact N-O 3.04Å
208K73.8Confident68.5Low62 Ų6273.6 Ų73.627%0.2741%0.409SS..EExtended strand (participates in β ladder)trans-90.7129.4169.5-61.2175.9-178.9168.20108.9T162 K202T162-K208 PolarHBondContact N-O 3.43Å; T162-K208 PolarHBondContact O-N 2.89Å; T162-K208 WeakPolarHBondContact OG1-CB 3.26Å; K202-K208 HydrophobicContact CG-CG 4.36Å
209R78.7Confident69.1Low58 Ų5872.1 Ų72.122%0.21940%0.403CS..EExtended strand (participates in β ladder)trans-120.7121.6175.9179.8175.9179.6-164.4-3.3109.4S159 F160 L161 C200 E201 I211S159-R209 PolarHBondContact OG-NE 2.83Å; S159-R209 PolarHBondContact OG-NH2 3.04Å; S159-R209 VanDerWaalsContact OG-NH2 3.07Å; F160-R209 WeakPolarHBondContact O-CA 3.47Å; L161-R209 HydrophobicContact CD2-CB 3.83Å; L161-R209 HydrophobicContact CD2-CG 3.67Å; C200-R209 CarbonylContact C-O 3.54Å; C200-R209 WeakPolarHBondContact CA-O 3.27Å; E201-R209 PolarHBondContact N-O 3.32Å; E201-R209 PolarHBondContact O-N 3.24Å; R209-I211 HydrophobicContact CG-CG1 4.19Å
210C78.6Confident69.4Low15 Ų1573.8 Ų73.810%0.10142%0.418CS..EExtended strand (participates in β ladder)trans-108124.8171.8-67.90000109.5S159 F160 C200 Y212S159-C210 CarbonylContact C-O 3.55Å; S159-C210 WeakPolarHBondContact CA-O 3.28Å; F160-C210 HydrophobicContact CB-CB 4.39Å; F160-C210 PolarHBondContact N-O 2.81Å; F160-C210 PolarHBondContact O-N 2.84Å; C200-C210 HydrophobicContact CB-CB 4.19Å; C200-C210 WeakPolarHBondContact CB-SG 3.44Å; C200-C210 WeakPolarHBondContact SG-CB 2.94Å; C200-C210 CovalentContact SG-SG 2.05Å; C200-C210 PolarHBondContact SG-SG 3.5Å; C210-Y212 HydrophobicContact CB-CE2 3.76Å
211I81.3Confident69.5Low30 Ų3074.5 Ų74.515%0.15442%0.424CS..EExtended strand (participates in β ladder)trans-107128.2177.5-56.9179.2000108.2Q157 S198 T199 R209Q157-I211 VanDerWaalsContact CD-CG2 3.41Å; Q157-I211 HydrophobicContact CG-CG2 3.55Å; S198-I211 WeakPolarHBondContact CA-O 3.33Å; T199-I211 PolarHBondContact N-O 3.24Å; T199-I211 VanDerWaalsContact N-O 3.1Å; T199-I211 PolarHBondContact O-N 2.99Å; R209-I211 HydrophobicContact CG-CG1 4.19Å
212Y79.6Confident69.9Low17 Ų1771 Ų717%0.06741%0.409CS..EExtended strand (participates in β ladder)trans-118.3127.4174.8-55.8-97.1000110Q157 C158 F160 M175 C210Q157-Y212 WeakPolarHBondContact CA-O 3.12Å; C158-Y212 PolarHBondContact N-O 2.85Å; C158-Y212 PolarHBondContact O-N 2.96Å; F160-Y212 HydrophobicContact CB-CE2 4.35Å; M175-Y212 HydrophobicContact CB-CD1 3.9Å; M175-Y212 HydrophobicContact CB-CD2 4.27Å; M175-Y212 HydrophobicContact CB-CE1 3.92Å; M175-Y212 HydrophobicContact CB-CE2 4.31Å; M175-Y212 HydrophobicContact CB-CG 4.08Å; M175-Y212 HydrophobicContact CE-CD1 3.95Å; M175-Y212 HydrophobicContact CE-CG 3.8Å; M175-Y212 HydrophobicContact CG-CD1 4.2Å; M175-Y212 HydrophobicContact CG-CD2 4.06Å; M175-Y212 HydrophobicContact CG-CG 3.91Å; C210-Y212 HydrophobicContact CB-CE2 3.76Å
213N78.3Confident70.8Confident63 Ų6365.6 Ų65.634%0.33739%0.39SS..EExtended strand (participates in β ladder)trans-110.8137.7179.6-61.8-46.3000110.4L156 Q157L156-N213 WeakPolarHBondContact O-CA 3.2Å; Q157-N213 VanDerWaalsContact CG-OD1 3.31Å; Q157-N213 WeakPolarHBondContact CG-OD1 3.31Å; Q157-N213 PolarHBondContact NE2-OD1 2.66Å
214F77.6Confident71.9Confident23 Ų2358.9 Ų58.910%0.10137%0.367CS..EExtended strand (participates in β ladder)trans-125.8128171.8172.5-102.3000108.9S155 L156 W177 I190 Y191 M216S155-F214 CarbonylContact C-O 3.59Å; S155-F214 WeakPolarHBondContact CA-O 3.19Å; L156-F214 HydrophobicContact CD1-CD1 4.26Å; L156-F214 PolarHBondContact N-O 3.21Å; L156-F214 PolarHBondContact O-N 3.23Å; W177-F214 AromaticContact CD1-CG 3.92Å; W177-F214 HydrophobicContact CD2-CB 4.41Å; W177-F214 HydrophobicContact CG-CB 4.29Å; W177-F214 HydrophobicContact CG-CG 4.35Å; W177-F214 HydrophobicContact CZ2-CB 4.42Å; W177-F214 VanDerWaalsContact NE1-CB 3.26Å; I190-F214 HydrophobicContact CG2-CZ 3.95Å; Y191-F214 AromaticContact CD1-CD2 3.97Å; Y191-F214 HydrophobicContact CD1-CD2 3.97Å; Y191-F214 HydrophobicContact CD2-CD2 4.23Å; Y191-F214 HydrophobicContact CD2-CE2 4.13Å; Y191-F214 HydrophobicContact CE1-CD2 4.34Å; Y191-F214 AromaticContact CG-CD2 3.84Å; Y191-F214 HydrophobicContact CG-CD2 3.84Å; Y191-F214 AromaticContact CG-CE2 3.94Å; Y191-F214 HydrophobicContact CG-CE2 3.94Å; F214-M216 HydrophobicContact CE1-CB 3.74Å; F214-M216 HydrophobicContact CE1-SD 4.24Å; F214-M216 HydrophobicContact CZ-CB 3.82Å; F214-M216 HydrophobicContact CZ-CG 4.37Å; F214-M216 HydrophobicContact CZ-SD 3.93Å
215S77.1Confident73.2Confident95 Ų9555.8 Ų55.866%0.66434%0.337SS*.EExtended strand (participates in β ladder)trans-121.7133.5177.4560000109.4V154V154-S215 WeakPolarHBondContact O-CA 3.32Å
216M73.8Confident74.5Confident42 Ų4252.9 Ų52.921%0.20731%0.306CS..EExtended strand (participates in β ladder)trans-140.1149.2178.3-173.6168.976.800110.1S153 V154 I190 F214 A218 D222 Y226S153-M216 CarbonylContact C-O 3.58Å; S153-M216 WeakPolarHBondContact CA-O 3.42Å; V154-M216 PolarHBondContact N-O 3.44Å; V154-M216 PolarHBondContact O-N 3.11Å; I190-M216 HydrophobicContact CG2-SD 4.5Å; F214-M216 HydrophobicContact CE1-CB 3.74Å; F214-M216 HydrophobicContact CE1-SD 4.24Å; F214-M216 HydrophobicContact CZ-CB 3.82Å; F214-M216 HydrophobicContact CZ-CG 4.37Å; F214-M216 HydrophobicContact CZ-SD 3.93Å; M216-A218 PolarHBondContact O-N 2.75Å; M216-D222 HydrophobicContact CE-CB 3.72Å; M216-Y226 HydrophobicContact CE-CE1 4.04Å; M216-Y226 WeakPolarHBondContact CE-OH 3.44Å
217N71.8Confident75.5Confident121 Ų12150.4 Ų50.465%0.64729%0.289SS*.EExtended strand (participates in β ladder)trans-79.7112.9168.2-62-24000107.4
218A70.4Confident76.5Confident18 Ų1846.7 Ų46.715%0.14927%0.272CS..  trans-84.5120.5-174.200000110.7D152 V154 M216 L244 I246D152-A218 PolarHBondContact O-N 2.93Å; V154-A218 HydrophobicContact CB-CB 4.28Å; V154-A218 HydrophobicContact CG2-CB 3.51Å; M216-A218 PolarHBondContact O-N 2.75Å; A218-L244 HydrophobicContact CB-CD2 3.96Å; A218-I246 HydrophobicContact CB-CD1 3.79Å; A218-I246 HydrophobicContact CB-CG1 4.3Å
219G70.3Confident76.8Confident29 Ų2943.8 Ų43.830%0.29926%0.259SS..  trans-111.3173.3169.700000112.3S221 D222 I246G219-S221 PolarHBondContact O-N 2.76Å; G219-D222 PolarHBondContact N-OD2 2.77Å; G219-D222 WeakPolarHBondContact O-CB 3.21Å; G219-D222 PolarHBondContact O-N 2.81Å; G219-I246 WeakPolarHBondContact O-CD1 3.49Å
220S70.1Confident76.8Confident112 Ų11241 Ų4178%0.78325%0.249SC*.G310 helixtrans-57-26.4-177.655.60000114.6D222S220-D222 VanDerWaalsContact C-N 3.27Å; S220-D222 PolarHBondContact O-N 3Å
221S71.8Confident76.7Confident86 Ų8641.2 Ų41.260%0.60125%0.252SS*.G310 helixtrans-74.2-14175.153.90000114.5R179 G219R179-S221 PolarHBondContact NH1-O 2.81Å; G219-S221 PolarHBondContact O-N 2.76Å
222D74.1Confident76.3Confident34 Ų3440.5 Ų40.518%0.18225%0.249CC..G310 helixtrans-97.6-0.8-170.5-56.5-34.7000112.6M216 G219 S220 G224 Y226M216-D222 HydrophobicContact CE-CB 3.72Å; G219-D222 PolarHBondContact N-OD2 2.77Å; G219-D222 WeakPolarHBondContact O-CB 3.21Å; G219-D222 PolarHBondContact O-N 2.81Å; S220-D222 VanDerWaalsContact C-N 3.27Å; S220-D222 PolarHBondContact O-N 3Å; D222-G224 PolarHBondContact O-N 3.2Å; D222-Y226 VanDerWaalsContact O-CE2 3.3Å; D222-Y226 WeakPolarHBondContact O-CE2 3.48Å; D222-Y226 PolarHBondContact O-OH 3.04Å
223V76.9Confident75.8Confident59 Ų5941 Ų4136%0.35825%0.254SS..  trans-57.2134.7171.51760000109.6R179 L244 I246R179-V223 PolarHBondContact NH1-O 2.89Å; V223-L244 WeakPolarHBondContact CA-O 2.88Å; V223-I246 HydrophobicContact CG2-CD1 4.45Å; V223-I246 HydrophobicContact CG2-CG1 4.43Å
224G77.6Confident75.1Confident6 Ų640.4 Ų40.46%0.06226%0.263CS..EExtended strand (participates in β ladder)trans155-179.7-178.600000113D222 N243 L244D222-G224 PolarHBondContact O-N 3.2Å; G224-N243 PolarHBondContact O-OD1 3.17Å; G224-L244 PolarHBondContact N-O 3.01Å; G224-L244 PolarHBondContact O-N 3.33Å
225T79.8Confident74.5Confident36 Ų3643 Ų4322%0.22128%0.276CS..EExtended strand (participates in β ladder)trans-97.9123.5177-52.30000110.3R179 A180 Y227R179-T225 CarbonylContact C-O 3.58Å; R179-T225 WeakPolarHBondContact CA-O 3.28Å; A180-T225 PolarHBondContact N-O 2.69Å; A180-T225 PolarHBondContact O-N 3.13Å; T225-Y227 HydrophobicContact CG2-CD2 4.22Å; T225-Y227 HydrophobicContact CG2-CE1 4.14Å; T225-Y227 HydrophobicContact CG2-CE2 3.48Å; T225-Y227 VanDerWaalsContact CG2-CE2 3.48Å; T225-Y227 VanDerWaalsContact CG2-CZ 3.44Å; T225-Y227 WeakPolarHBondContact CG2-OH 3.4Å
226Y79.4Confident74.4Confident3 Ų340.6 Ų40.61%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-99.2131.2179.5-69.2-110.5000109.4Q140 L156 I178 R179 I190 M216 D222 G241 A242 L244Q140-Y226 PolarHBondContact NE2-O 3.49Å; L156-Y226 VanDerWaalsContact CD1-CB 3.49Å; L156-Y226 HydrophobicContact CD1-CD1 3.63Å; L156-Y226 HydrophobicContact CD1-CD2 4.46Å; L156-Y226 HydrophobicContact CD1-CE1 4.49Å; L156-Y226 HydrophobicContact CD1-CG 3.62Å; I178-Y226 CarbonylContact O-C 3.56Å; I178-Y226 WeakPolarHBondContact O-CA 3.43Å; R179-Y226 WeakPolarHBondContact CD-OH 3.38Å; R179-Y226 HydrophobicContact CG-CD1 4.49Å; R179-Y226 HydrophobicContact CG-CD2 4.41Å; R179-Y226 HydrophobicContact CG-CE1 4.15Å; R179-Y226 HydrophobicContact CG-CE2 3.99Å; I190-Y226 HydrophobicContact CD1-CD1 3.37Å; I190-Y226 HydrophobicContact CD1-CE1 3.07Å; I190-Y226 HydrophobicContact CD1-CG 4.49Å; M216-Y226 HydrophobicContact CE-CE1 4.04Å; M216-Y226 WeakPolarHBondContact CE-OH 3.44Å; D222-Y226 VanDerWaalsContact O-CE2 3.3Å; D222-Y226 WeakPolarHBondContact O-CE2 3.48Å; D222-Y226 PolarHBondContact O-OH 3.04Å; Y226-G241 CarbonylContact O-C 3.58Å; Y226-G241 WeakPolarHBondContact O-CA 3.49Å; Y226-A242 PolarHBondContact N-O 3.14Å; Y226-A242 PolarHBondContact O-N 2.7Å; Y226-L244 HydrophobicContact CD2-CB 3.99Å; Y226-L244 HydrophobicContact CE2-CB 3.74Å; Y226-L244 HydrophobicContact CE2-CD2 3.82Å; Y226-L244 HydrophobicContact CE2-CG 4.42Å
227Y82.2Confident74.5Confident72 Ų7240.4 Ų40.428%0.28226%0.255SS..EExtended strand (participates in β ladder)trans-119.6135.3176.5-60.9-91.2000109.3W177 I178 A180 T225 G241W177-Y227 WeakPolarHBondContact CA-O 3.49Å; I178-Y227 PolarHBondContact N-O 2.98Å; I178-Y227 PolarHBondContact O-N 3.36Å; A180-Y227 HydrophobicContact CB-CD2 4.46Å; A180-Y227 HydrophobicContact CB-CE2 3.84Å; T225-Y227 HydrophobicContact CG2-CD2 4.22Å; T225-Y227 HydrophobicContact CG2-CE1 4.14Å; T225-Y227 HydrophobicContact CG2-CE2 3.48Å; T225-Y227 VanDerWaalsContact CG2-CE2 3.48Å; T225-Y227 VanDerWaalsContact CG2-CZ 3.44Å; T225-Y227 WeakPolarHBondContact CG2-OH 3.4Å; Y227-G241 VanDerWaalsContact CD1-CA 3.5Å
228C82.9Confident74.9Confident0 Ų039.4 Ų39.40%025%0.249CC..EExtended strand (participates in β ladder)trans-87.4140.1162.466.40000110.5V138 C158 F176 W177 L238 G239V138-C228 VanDerWaalsContact CG1-SG 3.56Å; C158-C228 HydrophobicContact CB-CB 3.41Å; C158-C228 VanDerWaalsContact CB-CB 3.41Å; C158-C228 WeakPolarHBondContact CB-SG 3.14Å; C158-C228 WeakPolarHBondContact SG-CB 3.37Å; C158-C228 CovalentContact SG-SG 2.04Å; C158-C228 PolarHBondContact SG-SG 2.99Å; F176-C228 CarbonylContact O-C 3.54Å; F176-C228 WeakPolarHBondContact O-CA 3.5Å; W177-C228 HydrophobicContact CD2-CB 4.13Å; W177-C228 HydrophobicContact CE3-CB 3.9Å; W177-C228 HydrophobicContact CH2-CB 3.81Å; W177-C228 HydrophobicContact CZ2-CB 4.05Å; W177-C228 HydrophobicContact CZ3-CB 3.74Å; C228-L238 CarbonylContact O-C 3.49Å; C228-L238 WeakPolarHBondContact O-CA 3.47Å; C228-G239 PolarHBondContact O-N 3.06Å
229A81.3Confident75.5Confident0 Ų038.9 Ų38.90%025%0.245CC..EExtended strand (participates in β ladder)trans-126.6127.5173.600000109.4I3 M175 F176 I178 I236 L237 L238I3-A229 HydrophobicContact CD1-CB 3.83Å; M175-A229 WeakPolarHBondContact CA-O 3.4Å; F176-A229 HydrophobicContact CB-CB 4.4Å; F176-A229 PolarHBondContact N-O 3.48Å; F176-A229 PolarHBondContact O-N 3.01Å; I178-A229 HydrophobicContact CD1-CB 3.75Å; A229-I236 HydrophobicContact CB-CG2 4.1Å; A229-L237 CarbonylContact C-O 3.6Å; A229-L237 WeakPolarHBondContact CA-O 3.37Å; A229-L238 HydrophobicContact CB-CG 4.38Å
230V78.3Confident76Confident0 Ų044.5 Ų44.50%027%0.268CS..EExtended strand (participates in β ladder)trans-111.3122.1176.9-177.70000108.7V138 F160 P173 S174 M175 I236 L237V138-V230 HydrophobicContact CG2-CB 3.95Å; V138-V230 HydrophobicContact CG2-CG2 3.79Å; F160-V230 HydrophobicContact CB-CG2 4.4Å; F160-V230 HydrophobicContact CD1-CG1 4.49Å; F160-V230 HydrophobicContact CD2-CB 4.28Å; F160-V230 HydrophobicContact CD2-CG1 3.76Å; F160-V230 HydrophobicContact CD2-CG2 4.47Å; F160-V230 HydrophobicContact CE2-CG1 4.02Å; F160-V230 HydrophobicContact CG-CG1 4.02Å; P173-V230 HydrophobicContact CB-CG1 4.12Å; S174-V230 CarbonylContact O-C 3.55Å; S174-V230 WeakPolarHBondContact O-CA 3.46Å; M175-V230 HydrophobicContact CG-CG2 4.31Å; V230-I236 WeakPolarHBondContact O-CA 3.4Å; V230-L237 PolarHBondContact N-O 3.28Å; V230-L237 PolarHBondContact O-N 2.92Å
231A75.9Confident76.5Confident20 Ų2039.8 Ų39.817%0.16524%0.237CC..EExtended strand (participates in β ladder)trans-98.1121.3173.700000109.9P173 S174 F176 E235 I236P173-A231 WeakPolarHBondContact CA-O 3.22Å; S174-A231 PolarHBondContact N-O 2.88Å; S174-A231 PolarHBondContact O-N 2.9Å; F176-A231 HydrophobicContact CE2-CB 3.91Å; A231-E235 WeakPolarHBondContact CA-O 3.26Å; A231-I236 HydrophobicContact CB-CG1 4.26Å
232T72.8Confident77Confident14 Ų1435.7 Ų35.79%0.08621%0.209CC..EExtended strand (participates in β ladder)trans-152.9140.6-179.8-1760000109.3Y136 F160 G234 E235 L237Y136-T232 HydrophobicContact CD2-CG2 3.82Å; Y136-T232 HydrophobicContact CE2-CG2 4.02Å; Y136-T232 HydrophobicContact CG-CG2 4.36Å; F160-T232 HydrophobicContact CE2-CG2 3.94Å; F160-T232 HydrophobicContact CZ-CG2 3.74Å; T232-G234 PolarHBondContact O-N 3.17Å; T232-G234 VanDerWaalsContact O-N 3.08Å; T232-E235 PolarHBondContact N-O 2.69Å; T232-E235 PolarHBondContact O-N 2.55Å; T232-L237 HydrophobicContact CG2-CD1 4.38Å
233C70.3Confident77.2Confident27 Ų2739.2 Ų39.218%0.18223%0.228CC..THydrogen-bonded Turntrans51.335.3174.7-63.40000115.4Y136 C169 E235Y136-C233 HydrophobicContact CE2-CB 4.11Å; Y136-C233 PolarHBondContact OH-SG 2.97Å; C169-C233 HydrophobicContact CB-CB 4.15Å; C169-C233 WeakPolarHBondContact CB-SG 3.41Å; C169-C233 WeakPolarHBondContact SG-CA 3.41Å; C169-C233 WeakPolarHBondContact SG-CB 3.28Å; C169-C233 CovalentContact SG-SG 2.02Å; C169-C233 PolarHBondContact SG-SG 2.84Å; C233-E235 PolarHBondContact O-N 3.01Å
234G62.7Low77.2Confident51 Ų5137 Ų3753%0.52621%0.214SC..THydrogen-bonded Turntrans76.7-0.8-178.100000115.3K2 T232K2-G234 WeakPolarHBondContact CE-O 3.01Å; K2-G234 PolarHBondContact NZ-O 3.33Å; T232-G234 PolarHBondContact O-N 3.17Å; T232-G234 VanDerWaalsContact O-N 3.08Å
235E65.8Low76.9Confident77 Ų7741.4 Ų41.436%0.3624%0.244SC..EExtended strand (participates in β ladder)trans-103.8157.2176.2-62.3-174.7151.400111.4A231 T232 C233A231-E235 WeakPolarHBondContact CA-O 3.26Å; T232-E235 PolarHBondContact N-O 2.69Å; T232-E235 PolarHBondContact O-N 2.55Å; C233-E235 PolarHBondContact O-N 3.01Å
236I73.7Confident76.2Confident45 Ų4546 Ų4623%0.23127%0.265CS..EExtended strand (participates in β ladder)trans-124.5125.9170.2-59.7-174.4000108.5K2 I3 A229 V230 A231 L238K2-I236 HydrophobicContact CB-CD1 3.68Å; K2-I236 HydrophobicContact CG-CD1 4.4Å; I3-I236 HydrophobicContact CB-CD1 4.46Å; I3-I236 HydrophobicContact CD1-CD1 3.99Å; I3-I236 HydrophobicContact CD1-CG2 3.8Å; I3-I236 HydrophobicContact CG1-CD1 3.82Å; A229-I236 HydrophobicContact CB-CG2 4.1Å; V230-I236 WeakPolarHBondContact O-CA 3.4Å; A231-I236 HydrophobicContact CB-CG1 4.26Å; I236-L238 HydrophobicContact CG2-CD1 4.13Å
237L76.7Confident76Confident39 Ų3948.2 Ų48.220%0.20428%0.278CS..EExtended strand (participates in β ladder)trans-109.9122.4178.5-58.8165.9000108.5Y136 V138 F160 A229 V230 T232Y136-L237 HydrophobicContact CD2-CD1 4.46Å; Y136-L237 HydrophobicContact CG-CD1 4.3Å; V138-L237 HydrophobicContact CB-CB 4.26Å; V138-L237 HydrophobicContact CG2-CB 3.4Å; V138-L237 VanDerWaalsContact CG2-CB 3.4Å; V138-L237 HydrophobicContact CG2-CD1 4.08Å; V138-L237 HydrophobicContact CG2-CG 4.4Å; F160-L237 HydrophobicContact CE2-CD1 3.93Å; A229-L237 CarbonylContact C-O 3.6Å; A229-L237 WeakPolarHBondContact CA-O 3.37Å; V230-L237 PolarHBondContact N-O 3.28Å; V230-L237 PolarHBondContact O-N 2.92Å; T232-L237 HydrophobicContact CG2-CD1 4.38Å
238L80.9Confident75.7Confident100 Ų10046.9 Ų46.952%0.52428%0.278SS..EExtended strand (participates in β ladder)trans-95.4141175.3-80.593.8000110.9C228 A229 I236C228-L238 CarbonylContact O-C 3.49Å; C228-L238 WeakPolarHBondContact O-CA 3.47Å; A229-L238 HydrophobicContact CB-CG 4.38Å; I236-L238 HydrophobicContact CG2-CD1 4.13Å
239G81.4Confident75.3Confident6 Ų649.6 Ų49.66%0.06229%0.293CS..  trans-72.9168.916500000112.1C228 G241C228-G239 PolarHBondContact O-N 3.06Å; G239-G241 PolarHBondContact O-N 3.27Å
240N81.9Confident74.9Confident147 Ų14752.5 Ų52.579%0.78631%0.311SS*.  trans-75.9-0.9-174.5-66.3-16.3000114.4
241G80.1Confident74.7Confident13 Ų1355.8 Ų55.813%0.13433%0.33CS..  trans83.6150.7-176.900000113.1Y226 Y227 G239Y226-G241 CarbonylContact O-C 3.58Å; Y226-G241 WeakPolarHBondContact O-CA 3.49Å; Y227-G241 VanDerWaalsContact CD1-CA 3.5Å; G239-G241 PolarHBondContact O-N 3.27Å
242A81.3Confident74.6Confident1 Ų158.1 Ų58.11%0.00834%0.341CS..EExtended strand (participates in β ladder)trans-133.5120.1171.900000107.2L156 Y226L156-A242 HydrophobicContact CD2-CB 3.68Å; Y226-A242 PolarHBondContact N-O 3.14Å; Y226-A242 PolarHBondContact O-N 2.7Å
243N79.1Confident74.8Confident108 Ų10861.3 Ų61.358%0.57836%0.359SS*.EExtended strand (participates in β ladder)trans-80.1128.8176.8-163.5-15.7000109G224G224-N243 PolarHBondContact O-OD1 3.17Å
244L77.3Confident75.1Confident13 Ų1363.9 Ų63.97%0.06837%0.373CS..EExtended strand (participates in β ladder)trans-105.8110.9171.817856.8000108.7V154 A218 V223 G224 Y226V154-L244 HydrophobicContact CB-CD1 4.4Å; V154-L244 HydrophobicContact CG1-CD1 4.03Å; V154-L244 HydrophobicContact CG1-CD2 4.4Å; V154-L244 HydrophobicContact CG2-CD1 3.67Å; V154-L244 HydrophobicContact CG2-CD2 4.33Å; A218-L244 HydrophobicContact CB-CD2 3.96Å; V223-L244 WeakPolarHBondContact CA-O 2.88Å; G224-L244 PolarHBondContact N-O 3.01Å; G224-L244 PolarHBondContact O-N 3.33Å; Y226-L244 HydrophobicContact CD2-CB 3.99Å; Y226-L244 HydrophobicContact CE2-CB 3.74Å; Y226-L244 HydrophobicContact CE2-CD2 3.82Å; Y226-L244 HydrophobicContact CE2-CG 4.42Å
245S70.1Confident76.1Confident98 Ų9865 Ų6569%0.68536%0.36SS*.  trans-112.6130.6168.355.70000108.6
246I65.4Low77.1Confident133 Ų13363.9 Ų63.968%0.68236%0.36SS*.  trans-102.60172.1-57.6171000107.8A218 G219 V223A218-I246 HydrophobicContact CB-CD1 3.79Å; A218-I246 HydrophobicContact CB-CG1 4.3Å; G219-I246 WeakPolarHBondContact O-CD1 3.49Å; V223-I246 HydrophobicContact CG2-CD1 4.45Å; V223-I246 HydrophobicContact CG2-CG1 4.43Å

Retrieved 246 of 246 residues in 166.9 ms (Link to these results)