A0A087YBD9_POEFO Loading...

Ketimine reductase mu-crystallin

AlphaFold DB , UniProt , Accession A0A087YBD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 317 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
1E55.2Low83.2Confident241 Ų241113.1 Ų113.1100%1.12660%0.596SS**  0112.70-70.6169.4155.300108.1M3E1-M3 PolarHBondContact O-N 3.37Å
2T62.6Low84.4Confident116 Ų116111.3 Ų111.371%0.71258%0.575SS**  trans-71.5111.4168.436.10000107.5
3M66.8Low85.4Confident175 Ų175114.8 Ų114.886%0.86259%0.587SS**PPolyproline II helixtrans-58.3138.5174.3-72.5-169.9-7900109.5E1 E5E1-M3 PolarHBondContact O-N 3.37Å; M3-E5 PolarHBondContact O-N 2.63Å
4A71.9Confident86.3Confident65 Ų65111 Ų11154%0.53757%0.566SS.*PPolyproline II helixtrans-61.7128.3172.800000109.1N105A4-N105 HydrophobicContact CB-CB 3.99Å
5E83.5Confident87.1Confident163 Ų163103.6 Ų103.676%0.76253%0.528SS*.PPolyproline II helixtrans-65.1149.5173.1-68.8-177.9174.600110M3M3-E5 PolarHBondContact O-N 2.63Å
6P91.3Very high87.7Confident113 Ų113102.3 Ų102.373%0.73452%0.519SS*.PPolyproline II helixtrans-58.5142.8173.725.9-33.9000110
7P95.1Very high88.3Confident58 Ų5898.8 Ų98.838%0.37751%0.506SS..PPolyproline II helixtrans-64.6142179.328.7-35.5000110.5I106 K107P7-I106 HydrophobicContact CB-CB 4.07Å; P7-I106 HydrophobicContact CB-CG2 3.62Å; P7-I106 HydrophobicContact CG-CG2 4.37Å; P7-K107 WeakPolarHBondContact CA-O 3.38Å
8V96.9Very high88.8Confident46 Ų4694.2 Ų94.228%0.27948%0.484SS..EExtended strand (participates in β ladder)trans-73.7143.8171.7-58.60000110I10 K107 A108 V109 F307 W310V8-I10 HydrophobicContact CG2-CD1 3.99Å; V8-I10 HydrophobicContact CG2-CG1 4.16Å; V8-K107 PolarHBondContact N-O 3.17Å; V8-A108 HydrophobicContact CG2-CB 3.64Å; V8-A108 CarbonylContact O-C 3.55Å; V8-A108 VanDerWaalsContact O-CA 3.29Å; V8-A108 WeakPolarHBondContact O-CA 3.15Å; V8-V109 PolarHBondContact O-N 3.24Å; V8-F307 HydrophobicContact CG2-CD2 4.3Å; V8-F307 HydrophobicContact CG2-CE2 3.81Å; V8-W310 HydrophobicContact CB-CH2 4Å; V8-W310 HydrophobicContact CB-CZ3 4.27Å; V8-W310 HydrophobicContact CG1-CH2 3.87Å; V8-W310 HydrophobicContact CG1-CZ3 4.11Å; V8-W310 HydrophobicContact CG2-CH2 4.3Å; V8-W310 HydrophobicContact CG2-CZ3 4.09Å
9I98Very high89.3Confident116 Ų11689.4 Ų89.460%0.59546%0.459SS*.EExtended strand (participates in β ladder)trans-107.3116.7174.2-59177000107V109I9-V109 WeakPolarHBondContact CA-O 3.29Å
10I98.1Very high89.8Confident0 Ų090.1 Ų90.10%046%0.455CS..EExtended strand (participates in β ladder)trans-111.598.7179.4-60167.5000106.9V8 E14 V15 A108 V109 M110 D111 V306 F307 W310V8-I10 HydrophobicContact CG2-CD1 3.99Å; V8-I10 HydrophobicContact CG2-CG1 4.16Å; I10-E14 HydrophobicContact CG2-CB 3.7Å; I10-V15 HydrophobicContact CG2-CG2 3.93Å; I10-A108 HydrophobicContact CD1-CB 4.47Å; I10-V109 PolarHBondContact N-O 2.79Å; I10-M110 HydrophobicContact CB-CE 4.39Å; I10-M110 HydrophobicContact CB-CG 4.23Å; I10-M110 HydrophobicContact CD1-CE 3.38Å; I10-M110 HydrophobicContact CG1-CE 4.42Å; I10-M110 WeakPolarHBondContact O-CA 3.47Å; I10-D111 PolarHBondContact O-N 2.75Å; I10-D111 VanDerWaalsContact O-N 3.1Å; I10-V306 HydrophobicContact CG2-CG1 4.04Å; I10-F307 HydrophobicContact CD1-CD2 4.09Å; I10-W310 HydrophobicContact CD1-CB 4.07Å; I10-W310 HydrophobicContact CD1-CD2 3.64Å; I10-W310 HydrophobicContact CD1-CE3 3.8Å; I10-W310 HydrophobicContact CD1-CG 3.75Å; I10-W310 HydrophobicContact CG1-CD2 3.86Å; I10-W310 HydrophobicContact CG1-CE3 4.34Å; I10-W310 HydrophobicContact CG1-CG 4.02Å; I10-W310 HydrophobicContact CG1-CZ2 4.41Å; I10-W310 HydrophobicContact CG2-CG 4.32Å
11W96.5Very high90.2Very high151 Ų15186.5 Ų86.557%0.57244%0.437SS*.  trans-85.4175-172-158.2-121.6000112.1Q13 E14 V15 D111W11-Q13 VanDerWaalsContact C-N 3.32Å; W11-Q13 PolarHBondContact O-N 2.92Å; W11-Q13 VanDerWaalsContact O-N 3.11Å; W11-E14 PolarHBondContact N-OE2 3.5Å; W11-E14 WeakPolarHBondContact O-CB 3.46Å; W11-E14 PolarHBondContact O-N 3.12Å; W11-V15 PolarHBondContact O-N 3.12Å; W11-V15 VanDerWaalsContact O-N 3.1Å; W11-D111 HydrophobicContact CE3-CB 4.44Å
12R96.7Very high92.2Very high92 Ų9283.9 Ų83.935%0.34742%0.416SS..Hα-helixtrans-43-51.9-171.5-172.4-177.217893.914.1114.5E14 V15 E16 D111 E113 V114R12-E14 VanDerWaalsContact C-N 3.29Å; R12-E14 PolarHBondContact O-N 3.07Å; R12-V15 PolarHBondContact O-N 2.75Å; R12-E16 IonicContact CZ-OE1 3.28Å; R12-E16 VanDerWaalsContact CZ-OE1 3.28Å; R12-E16 IonicContact NE-OE1 2.87Å; R12-E16 PolarHBondContact NE-OE1 3.31Å; R12-E16 IonicContact NH2-OE1 2.9Å; R12-E16 PolarHBondContact NH2-OE1 3.17Å; R12-E16 WeakPolarHBondContact O-CB 3.33Å; R12-E16 WeakPolarHBondContact O-CG 3.34Å; R12-E16 PolarHBondContact O-N 3.03Å; R12-D111 HydrophobicContact CB-CB 4.2Å; R12-E113 IonicContact NH1-OE2 3.86Å; R12-V114 HydrophobicContact CG-CG2 3.64Å
13Q97.4Very high93.9Very high157 Ų15780.9 Ų80.973%0.73440%0.396SS*.Hα-helixtrans-65.4-33.8-176-68176.2-5.200112.3W11 S17W11-Q13 VanDerWaalsContact C-N 3.32Å; W11-Q13 PolarHBondContact O-N 2.92Å; W11-Q13 VanDerWaalsContact O-N 3.11Å; Q13-S17 WeakPolarHBondContact O-CB 3.39Å; Q13-S17 PolarHBondContact O-N 3.38Å
14E97.9Very high95.5Very high61 Ų6172.5 Ų72.529%0.28536%0.355SS..Hα-helixtrans-72.4-44.7179.1-63.3168.793.200110.4I10 W11 R12 S17 V18 W310I10-E14 HydrophobicContact CG2-CB 3.7Å; W11-E14 PolarHBondContact N-OE2 3.5Å; W11-E14 WeakPolarHBondContact O-CB 3.46Å; W11-E14 PolarHBondContact O-N 3.12Å; R12-E14 VanDerWaalsContact C-N 3.29Å; R12-E14 PolarHBondContact O-N 3.07Å; E14-S17 WeakPolarHBondContact O-CB 3.14Å; E14-S17 PolarHBondContact O-N 3.07Å; E14-S17 PolarHBondContact O-OG 3.16Å; E14-V18 WeakPolarHBondContact O-CG2 3.31Å; E14-V18 PolarHBondContact O-N 3.43Å; E14-W310 PolarHBondContact OE1-NE1 3.07Å
15V98.2Very high96.7Very high0 Ų069.9 Ų69.90%033%0.332CS..Hα-helixtrans-56.9-50.5172.6-176.90000110.5I10 W11 R12 S17 V18 L19 D111 V114 I115 V306I10-V15 HydrophobicContact CG2-CG2 3.93Å; W11-V15 PolarHBondContact O-N 3.12Å; W11-V15 VanDerWaalsContact O-N 3.1Å; R12-V15 PolarHBondContact O-N 2.75Å; V15-S17 PolarHBondContact O-N 3.28Å; V15-V18 PolarHBondContact O-N 2.61Å; V15-V18 VanDerWaalsContact O-N 3.15Å; V15-L19 HydrophobicContact CG1-CB 4.35Å; V15-L19 HydrophobicContact CG1-CD2 4.26Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 PolarHBondContact O-N 2.79Å; V15-D111 HydrophobicContact CG2-CB 4.18Å; V15-V114 HydrophobicContact CB-CB 4.4Å; V15-V114 HydrophobicContact CB-CG1 4.33Å; V15-V114 HydrophobicContact CG1-CB 3.88Å; V15-V114 HydrophobicContact CG1-CG1 3.64Å; V15-I115 HydrophobicContact CG1-CG1 4.01Å; V15-V306 HydrophobicContact CB-CG1 4.49Å; V15-V306 HydrophobicContact CG1-CG1 4.38Å; V15-V306 HydrophobicContact CG1-CG2 3.96Å; V15-V306 HydrophobicContact CG2-CG1 4.09Å
16E97.6Very high97.5Very high82 Ų8265.5 Ų65.538%0.38332%0.318SS..Hα-helixtrans-58.9-31.3176.4-73.9172.1170.900111.7R12 R20 V114R12-E16 IonicContact CZ-OE1 3.28Å; R12-E16 VanDerWaalsContact CZ-OE1 3.28Å; R12-E16 IonicContact NE-OE1 2.87Å; R12-E16 PolarHBondContact NE-OE1 3.31Å; R12-E16 IonicContact NH2-OE1 2.9Å; R12-E16 PolarHBondContact NH2-OE1 3.17Å; R12-E16 WeakPolarHBondContact O-CB 3.33Å; R12-E16 WeakPolarHBondContact O-CG 3.34Å; R12-E16 PolarHBondContact O-N 3.03Å; E16-R20 PolarHBondContact O-NH1 3.19Å; E16-V114 HydrophobicContact CG-CB 4.45Å; E16-V114 HydrophobicContact CG-CG1 3.86Å; E16-V114 HydrophobicContact CG-CG2 3.7Å
17S97.3Very high97.8Very high43 Ų4367.2 Ų67.230%0.30131%0.31SS..Hα-helixtrans-75.1-22.918085.80000114.1Q13 E14 V15 R20 K313Q13-S17 WeakPolarHBondContact O-CB 3.39Å; Q13-S17 PolarHBondContact O-N 3.38Å; E14-S17 WeakPolarHBondContact O-CB 3.14Å; E14-S17 PolarHBondContact O-N 3.07Å; E14-S17 PolarHBondContact O-OG 3.16Å; V15-S17 PolarHBondContact O-N 3.28Å; S17-R20 PolarHBondContact O-NH1 3.19Å; S17-R20 PolarHBondContact O-NH2 3.02Å; S17-K313 PolarHBondContact OG-NZ 3.09Å
18V98Very high98Very high17 Ų1764.4 Ų64.410%0.10329%0.292CS..Hα-helixtrans-116.7-29.8-173.6-59.10000114.8E14 V15 R20 V306 Q309 K313E14-V18 WeakPolarHBondContact O-CG2 3.31Å; E14-V18 PolarHBondContact O-N 3.43Å; V15-V18 PolarHBondContact O-N 2.61Å; V15-V18 VanDerWaalsContact O-N 3.15Å; V18-R20 PolarHBondContact O-N 2.91Å; V18-V306 HydrophobicContact CG2-CB 4.4Å; V18-V306 HydrophobicContact CG2-CG1 3.89Å; V18-Q309 HydrophobicContact CB-CB 3.81Å; V18-Q309 HydrophobicContact CG1-CB 4.34Å; V18-Q309 HydrophobicContact CG2-CB 4.27Å; V18-K313 HydrophobicContact CG1-CD 4.26Å
19L98.3Very high98.1Very high3 Ų364.1 Ų64.12%0.01629%0.287CS..  trans-78.6125.1-176.7-167.355.3000110.6V15 L24 I115 M118 L305 V306V15-L19 HydrophobicContact CG1-CB 4.35Å; V15-L19 HydrophobicContact CG1-CD2 4.26Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 PolarHBondContact O-N 2.79Å; L19-L24 HydrophobicContact CD1-CB 4.29Å; L19-L24 HydrophobicContact CD1-CD1 4.35Å; L19-L24 HydrophobicContact CD1-CD2 4.27Å; L19-L24 HydrophobicContact CD2-CD2 4.48Å; L19-L24 HydrophobicContact CG-CD2 4.43Å; L19-I115 HydrophobicContact CD2-CG1 4.29Å; L19-M118 HydrophobicContact CB-CE 4.34Å; L19-M118 HydrophobicContact CB-SD 3.91Å; L19-M118 HydrophobicContact CD2-CB 4.1Å; L19-M118 HydrophobicContact CD2-CE 4.41Å; L19-M118 HydrophobicContact CD2-CG 4.36Å; L19-M118 HydrophobicContact CD2-SD 3.62Å; L19-M118 HydrophobicContact CG-CE 3.89Å; L19-M118 HydrophobicContact CG-SD 3.64Å; L19-L305 HydrophobicContact CD1-CD2 3.82Å; L19-L305 HydrophobicContact CD1-CG 4.3Å; L19-V306 HydrophobicContact CB-CG2 4.07Å; L19-V306 HydrophobicContact CD1-CG2 3.94Å; L19-V306 HydrophobicContact CD2-CG2 4.04Å; L19-V306 HydrophobicContact CG-CG2 4.23Å
20R98.3Very high98.1Very high102 Ų10261.9 Ų61.939%0.38528%0.276SS..  trans-135.1141.4-178-62.2-65.5-179.9-85.7-2.9110.7E16 S17 V18 R22 D23 L24E16-R20 PolarHBondContact O-NH1 3.19Å; S17-R20 PolarHBondContact O-NH1 3.19Å; S17-R20 PolarHBondContact O-NH2 3.02Å; V18-R20 PolarHBondContact O-N 2.91Å; R20-R22 VanDerWaalsContact C-N 3.35Å; R20-R22 HydrophobicContact CB-CG 4.18Å; R20-R22 PolarHBondContact O-N 2.76Å; R20-D23 PolarHBondContact O-N 3.47Å; R20-D23 VanDerWaalsContact O-N 3.14Å; R20-L24 VanDerWaalsContact O-CB 3.31Å; R20-L24 WeakPolarHBondContact O-CB 3.42Å; R20-L24 PolarHBondContact O-N 3.25Å
21Y98.6Very high98.1Very high15 Ų1562 Ų626%0.05928%0.277CS..Hα-helixtrans-61.6-40.3-177.7-73.6-61.1000113.2D23 L24 V25 M118 A122 S150 T153 V154Y21-D23 PolarHBondContact O-N 3.39Å; Y21-D23 VanDerWaalsContact O-N 3.12Å; Y21-L24 HydrophobicContact CD1-CD2 4.46Å; Y21-L24 PolarHBondContact O-N 2.93Å; Y21-V25 WeakPolarHBondContact O-CB 3.09Å; Y21-V25 WeakPolarHBondContact O-CG2 3.5Å; Y21-V25 PolarHBondContact O-N 3.17Å; Y21-M118 HydrophobicContact CD1-CE 4.09Å; Y21-M118 HydrophobicContact CD2-CE 4.15Å; Y21-M118 HydrophobicContact CE1-CB 3.93Å; Y21-M118 HydrophobicContact CE1-CE 3.98Å; Y21-M118 HydrophobicContact CE1-CG 4.29Å; Y21-M118 WeakPolarHBondContact CE1-O 3.32Å; Y21-M118 HydrophobicContact CE2-CE 4.04Å; Y21-M118 HydrophobicContact CG-CE 4.17Å; Y21-A122 HydrophobicContact CD1-CB 4.07Å; Y21-A122 HydrophobicContact CE1-CB 4.17Å; Y21-S150 WeakPolarHBondContact OH-CB 3.3Å; Y21-S150 PolarHBondContact OH-O 3.17Å; Y21-T153 HydrophobicContact CE2-CG2 3.92Å; Y21-V154 HydrophobicContact CD1-CB 3.89Å; Y21-V154 HydrophobicContact CD1-CG2 3.51Å; Y21-V154 HydrophobicContact CD2-CB 3.87Å; Y21-V154 HydrophobicContact CD2-CG2 3.99Å; Y21-V154 HydrophobicContact CE1-CB 3.75Å; Y21-V154 HydrophobicContact CE1-CG1 4.41Å; Y21-V154 HydrophobicContact CE1-CG2 3.86Å; Y21-V154 HydrophobicContact CE2-CB 3.73Å; Y21-V154 HydrophobicContact CE2-CG2 4.31Å; Y21-V154 HydrophobicContact CG-CB 3.95Å; Y21-V154 HydrophobicContact CG-CG2 3.58Å
22R98.2Very high98.2Very high186 Ų18654.9 Ų54.970%0.70225%0.25SS*.Hα-helixtrans-52.6-33.3175.276.1-176-175.9176.9-0.4113.9R20 P26R20-R22 VanDerWaalsContact C-N 3.35Å; R20-R22 HydrophobicContact CB-CG 4.18Å; R20-R22 PolarHBondContact O-N 2.76Å; R22-P26 WeakPolarHBondContact O-CD 3.49Å
23D98.4Very high98.3Very high53 Ų5350.6 Ų50.628%0.28324%0.235SC..Hα-helixtrans-94.9-32-177-59.1-55.3000110.7R20 Y21 R27 L305R20-D23 PolarHBondContact O-N 3.47Å; R20-D23 VanDerWaalsContact O-N 3.14Å; Y21-D23 PolarHBondContact O-N 3.39Å; Y21-D23 VanDerWaalsContact O-N 3.12Å; D23-R27 WeakPolarHBondContact O-CG 3.45Å; D23-L305 HydrophobicContact CB-CD1 4.43Å; D23-L305 HydrophobicContact CB-CD2 4.11Å
24L98.8Very high98.3Very high0 Ų044.2 Ų44.20%020%0.204CC..Hα-helixtrans-77.2-44.1-178177.259.6000113.3L19 R20 Y21 R27 L28 M118 A122 S302 L305L19-L24 HydrophobicContact CD1-CB 4.29Å; L19-L24 HydrophobicContact CD1-CD1 4.35Å; L19-L24 HydrophobicContact CD1-CD2 4.27Å; L19-L24 HydrophobicContact CD2-CD2 4.48Å; L19-L24 HydrophobicContact CG-CD2 4.43Å; R20-L24 VanDerWaalsContact O-CB 3.31Å; R20-L24 WeakPolarHBondContact O-CB 3.42Å; R20-L24 PolarHBondContact O-N 3.25Å; Y21-L24 HydrophobicContact CD1-CD2 4.46Å; Y21-L24 PolarHBondContact O-N 2.93Å; L24-R27 PolarHBondContact O-N 3.38Å; L24-L28 HydrophobicContact CD1-CD1 3.78Å; L24-L28 HydrophobicContact CD1-CD2 4.42Å; L24-L28 HydrophobicContact CD1-CG 3.87Å; L24-L28 HydrophobicContact CD2-CD1 4.19Å; L24-L28 HydrophobicContact CG-CD1 3.63Å; L24-L28 HydrophobicContact CG-CG 4.2Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 3.45Å; L24-M118 HydrophobicContact CD2-CB 3.89Å; L24-A122 HydrophobicContact CD2-CB 4.24Å; L24-A122 HydrophobicContact CG-CB 4.45Å; L24-S302 VanDerWaalsContact CD1-OG 3.28Å; L24-S302 WeakPolarHBondContact CD1-OG 3.18Å; L24-L305 HydrophobicContact CB-CD2 4.09Å; L24-L305 HydrophobicContact CD1-CD2 4.36Å
25V98.8Very high98.2Very high10 Ų1043.3 Ų43.36%0.06120%0.2CC..Hα-helixtrans-57.6-49.6-174.6166.20000112.1Y21 R27 L28 E29 A122 I126 M158Y21-V25 WeakPolarHBondContact O-CB 3.09Å; Y21-V25 WeakPolarHBondContact O-CG2 3.5Å; Y21-V25 PolarHBondContact O-N 3.17Å; V25-R27 VanDerWaalsContact C-N 3.27Å; V25-R27 PolarHBondContact O-N 3.11Å; V25-L28 PolarHBondContact O-N 3.25Å; V25-L28 VanDerWaalsContact O-N 3.17Å; V25-E29 PolarHBondContact O-N 2.92Å; V25-A122 HydrophobicContact CG2-CB 3.92Å; V25-I126 HydrophobicContact CG1-CD1 4.19Å; V25-I126 HydrophobicContact CG1-CG1 3.88Å; V25-M158 HydrophobicContact CG1-CE 4.08Å; V25-M158 HydrophobicContact CG1-SD 4.49Å; V25-M158 HydrophobicContact CG2-SD 3.89Å
26P98.7Very high98.2Very high71 Ų7143.6 Ų43.646%0.46120%0.202SC..Hα-helixtrans-61.8-33.7178.9-23.635000113.4R22 E29 D30R22-P26 WeakPolarHBondContact O-CD 3.49Å; P26-E29 PolarHBondContact O-N 3.3Å; P26-D30 PolarHBondContact O-N 3.08Å; P26-D30 VanDerWaalsContact O-N 3.12Å
27R98.5Very high98Very high148 Ų14845.5 Ų45.556%0.55821%0.205SC*.Hα-helixtrans-69.2-37.9177.1-65.3-63.4-176.5-163.51.7112D23 L24 V25 A31D23-R27 WeakPolarHBondContact O-CG 3.45Å; L24-R27 PolarHBondContact O-N 3.38Å; V25-R27 VanDerWaalsContact C-N 3.27Å; V25-R27 PolarHBondContact O-N 3.11Å; R27-A31 VanDerWaalsContact O-CB 3.3Å; R27-A31 WeakPolarHBondContact O-CB 3.42Å; R27-A31 PolarHBondContact O-N 2.92Å
28L98.8Very high97.3Very high0 Ų052.8 Ų52.80%023%0.226CC..Hα-helixtrans-69.2-40174.5-69.5168.9000111.6L24 V25 D30 A31 L32 R119 A122 V123 I126 E298 V301L24-L28 HydrophobicContact CD1-CD1 3.78Å; L24-L28 HydrophobicContact CD1-CD2 4.42Å; L24-L28 HydrophobicContact CD1-CG 3.87Å; L24-L28 HydrophobicContact CD2-CD1 4.19Å; L24-L28 HydrophobicContact CG-CD1 3.63Å; L24-L28 HydrophobicContact CG-CG 4.2Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 3.45Å; V25-L28 PolarHBondContact O-N 3.25Å; V25-L28 VanDerWaalsContact O-N 3.17Å; L28-D30 VanDerWaalsContact C-N 3.33Å; L28-D30 PolarHBondContact O-N 3.17Å; L28-A31 PolarHBondContact O-N 2.99Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 2.67Å; L28-R119 HydrophobicContact CD1-CB 4.37Å; L28-R119 HydrophobicContact CD2-CB 4.45Å; L28-A122 HydrophobicContact CD1-CB 3.41Å; L28-A122 VanDerWaalsContact CD1-CB 3.41Å; L28-V123 HydrophobicContact CB-CG2 4.43Å; L28-V123 HydrophobicContact CD1-CG2 4.08Å; L28-V123 HydrophobicContact CD2-CG2 4.24Å; L28-I126 HydrophobicContact CB-CD1 3.7Å; L28-E298 HydrophobicContact CD2-CB 3.74Å; L28-E298 HydrophobicContact CD2-CG 4.13Å; L28-V301 HydrophobicContact CD2-CG2 3.74Å; L28-V301 HydrophobicContact CG-CG2 4.41Å
29E98.8Very high96.6Very high40 Ų4059.2 Ų59.219%0.18726%0.26CS..Hα-helixtrans-57.9-47174.4-70.4-175.8139.200111.2V25 P26 G33 I126 K129V25-E29 PolarHBondContact O-N 2.92Å; P26-E29 PolarHBondContact O-N 3.3Å; E29-G33 PolarHBondContact O-N 3.01Å; E29-I126 HydrophobicContact CG-CB 4.49Å; E29-I126 HydrophobicContact CG-CD1 3.6Å; E29-I126 HydrophobicContact CG-CG1 3.73Å; E29-I126 HydrophobicContact CG-CG2 3.9Å; E29-K129 IonicContact OE1-NZ 2.69Å; E29-K129 PolarHBondContact OE1-NZ 3.43Å; E29-K129 IonicContact OE2-NZ 3.25Å; E29-K129 PolarHBondContact OE2-NZ 2.79Å
30D98.3Very high95.9Very high69 Ų6961.4 Ų61.437%0.36928%0.275SS..Hα-helixtrans-60.7-48.2175.4-177.764.5000112.2P26 L28 L32 G33 K34P26-D30 PolarHBondContact O-N 3.08Å; P26-D30 VanDerWaalsContact O-N 3.12Å; L28-D30 VanDerWaalsContact C-N 3.33Å; L28-D30 PolarHBondContact O-N 3.17Å; D30-L32 PolarHBondContact O-N 3.41Å; D30-G33 PolarHBondContact O-N 2.97Å; D30-K34 WeakPolarHBondContact O-CG 3.32Å; D30-K34 PolarHBondContact O-N 3.17Å; D30-K34 WeakPolarHBondContact OD2-CE 3.49Å; D30-K34 IonicContact OD2-NZ 3.89Å; D30-K34 PolarHBondContact OD2-NZ 3.42Å
31A98.3Very high95Very high1 Ų160 Ų601%0.00829%0.286CS..Hα-helixtrans-61.3-44.3-179.800000113.2R27 L28 G33 K34 F35 M67 V297 V301R27-A31 VanDerWaalsContact O-CB 3.3Å; R27-A31 WeakPolarHBondContact O-CB 3.42Å; R27-A31 PolarHBondContact O-N 2.92Å; L28-A31 PolarHBondContact O-N 2.99Å; A31-G33 VanDerWaalsContact C-N 3.35Å; A31-K34 PolarHBondContact O-N 3.27Å; A31-F35 WeakPolarHBondContact O-CB 3.44Å; A31-F35 PolarHBondContact O-N 2.86Å; A31-M67 HydrophobicContact CB-CE 4.36Å; A31-V297 HydrophobicContact CB-CG2 4.03Å; A31-V301 HydrophobicContact CB-CG1 3.79Å; A31-V301 HydrophobicContact CB-CG2 4.01Å
32L98.5Very high94.7Very high2 Ų260.1 Ų60.11%0.0129%0.287CS..Hα-helixtrans-63.4-43175.6-69.2169.9000110.7L28 D30 F35 S36 V123 I126 L272 G273 I276 M295 E298L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 2.67Å; D30-L32 PolarHBondContact O-N 3.41Å; L32-F35 PolarHBondContact O-N 3.32Å; L32-S36 PolarHBondContact O-N 3.25Å; L32-V123 HydrophobicContact CD1-CG1 4.15Å; L32-V123 HydrophobicContact CD1-CG2 4.23Å; L32-I126 HydrophobicContact CD1-CD1 4.32Å; L32-I126 HydrophobicContact CD1-CG2 4.43Å; L32-L272 HydrophobicContact CD1-CD2 4.06Å; L32-G273 VanDerWaalsContact O-CA 3.3Å; L32-G273 WeakPolarHBondContact O-CA 3.48Å; L32-I276 HydrophobicContact CB-CD1 3.62Å; L32-I276 HydrophobicContact CD1-CD1 3.96Å; L32-I276 HydrophobicContact CG-CD1 4.47Å; L32-M295 HydrophobicContact CD2-CE 3.26Å; L32-E298 HydrophobicContact CD2-CG 4.47Å
33G97.9Very high94.6Very high2 Ų252.3 Ų52.32%0.02126%0.26CS..Hα-helixtrans-58.3-49.2174.300000112E29 D30 A31 S36 R37 N277E29-G33 PolarHBondContact O-N 3.01Å; D30-G33 PolarHBondContact O-N 2.97Å; A31-G33 VanDerWaalsContact C-N 3.35Å; G33-S36 PolarHBondContact O-N 2.84Å; G33-R37 WeakPolarHBondContact O-CG 3.31Å; G33-N277 PolarHBondContact O-ND2 3.07Å
34K97.4Very high94.5Very high23 Ų2353.6 Ų53.610%0.127%0.27CS..Hα-helixtrans-59.8-45.2176.7-74171172168.30112.3D30 A31 S36 R37 E42 V43 M67 D70D30-K34 WeakPolarHBondContact O-CG 3.32Å; D30-K34 PolarHBondContact O-N 3.17Å; D30-K34 WeakPolarHBondContact OD2-CE 3.49Å; D30-K34 IonicContact OD2-NZ 3.89Å; D30-K34 PolarHBondContact OD2-NZ 3.42Å; A31-K34 PolarHBondContact O-N 3.27Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 3.29Å; K34-R37 PolarHBondContact O-N 2.99Å; K34-E42 WeakPolarHBondContact CE-OE1 3.48Å; K34-E42 IonicContact NZ-OE1 2.67Å; K34-V43 HydrophobicContact CB-CG2 3.8Å; K34-M67 HydrophobicContact CD-CE 4.04Å; K34-D70 IonicContact NZ-OD1 3.36Å; K34-D70 PolarHBondContact NZ-OD1 2.9Å; K34-D70 IonicContact NZ-OD2 3.51Å; K34-D70 PolarHBondContact NZ-OD2 3.11Å
35F97.6Very high94.3Very high42 Ų4255.1 Ų55.118%0.18428%0.277CS..Hα-helixtrans-58.4-42.7-179.9176-98.1000112.8A31 L32 R37 V43 Q45 M295 V297A31-F35 WeakPolarHBondContact O-CB 3.44Å; A31-F35 PolarHBondContact O-N 2.86Å; L32-F35 PolarHBondContact O-N 3.32Å; F35-R37 VanDerWaalsContact C-N 3.28Å; F35-R37 PolarHBondContact O-N 2.89Å; F35-V43 HydrophobicContact CD2-CG1 3.97Å; F35-Q45 HydrophobicContact CE2-CB 4.3Å; F35-M295 HydrophobicContact CD1-CE 3.94Å; F35-M295 HydrophobicContact CD1-SD 3.7Å; F35-M295 HydrophobicContact CD2-SD 4.47Å; F35-M295 HydrophobicContact CE1-CE 4.38Å; F35-M295 HydrophobicContact CE1-SD 3.54Å; F35-M295 VanDerWaalsContact CE1-SD 3.54Å; F35-M295 HydrophobicContact CE2-SD 4.33Å; F35-M295 HydrophobicContact CG-CE 4.26Å; F35-M295 HydrophobicContact CG-SD 4.18Å; F35-M295 HydrophobicContact CZ-SD 3.88Å; F35-V297 HydrophobicContact CB-CG1 4.46Å
36S96.7Very high94.1Very high6 Ų658.1 Ų58.14%0.04230%0.296CS..THydrogen-bonded Turntrans-82.75.1-178.1-630000114.5L32 G33 K34 R38 E271 G273L32-S36 PolarHBondContact O-N 3.25Å; G33-S36 PolarHBondContact O-N 2.84Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 3.29Å; S36-R38 PolarHBondContact O-N 3.11Å; S36-E271 WeakPolarHBondContact CB-OE2 3.43Å; S36-E271 WeakPolarHBondContact OG-CB 3.48Å; S36-E271 PolarHBondContact OG-OE2 2.82Å; S36-G273 WeakPolarHBondContact OG-CA 3.28Å
37R94.6Very high93.8Very high122 Ų12256.6 Ų56.646%0.4629%0.285SS..  trans-79.5100.7173.9-74.3-179.9-174.2-1613.3110.9G33 K34 F35 D39 S40G33-R37 WeakPolarHBondContact O-CG 3.31Å; K34-R37 PolarHBondContact O-N 2.99Å; F35-R37 VanDerWaalsContact C-N 3.28Å; F35-R37 PolarHBondContact O-N 2.89Å; R37-D39 PolarHBondContact O-N 3.14Å; R37-S40 PolarHBondContact O-N 2.97Å; R37-S40 VanDerWaalsContact O-N 3.14Å
38R81.9Confident93.6Very high196 Ų19651 Ų5174%0.7426%0.264SS*.THydrogen-bonded Turntrans-67.6-17.5-175.5-58.9-173.7-178.4-149.7-2.7115.1S36S36-R38 PolarHBondContact O-N 3.11Å
39D83.6Confident93.4Very high153 Ų15354.8 Ų54.882%0.81829%0.288SS*.THydrogen-bonded Turntrans-95.91.5178.360.6-21.9000113R37R37-D39 PolarHBondContact O-N 3.14Å
40S83.1Confident93.2Very high48 Ų4855.7 Ų55.734%0.33630%0.302SS..  trans-115.2139.5179.3-1730000111.1R37 E42R37-S40 PolarHBondContact O-N 2.97Å; R37-S40 VanDerWaalsContact O-N 3.14Å; S40-E42 WeakPolarHBondContact OG-CB 3.32Å; S40-E42 PolarHBondContact OG-N 2.69Å; S40-E42 VanDerWaalsContact OG-N 3.14Å
41A80.1Confident93Very high73 Ų7355.2 Ų55.260%0.60330%0.301SS*.  trans-978.4168.900000112.4V43A41-V43 PolarHBondContact O-N 3.25Å
42E91.3Very high92.7Very high18 Ų1859.4 Ų59.48%0.08433%0.328CS..SBendtrans-58.3-32.7-172.3175.5176.8-162.500113.5K34 S40 M67 E68 N69K34-E42 WeakPolarHBondContact CE-OE1 3.48Å; K34-E42 IonicContact NZ-OE1 2.67Å; S40-E42 WeakPolarHBondContact OG-CB 3.32Å; S40-E42 PolarHBondContact OG-N 2.69Å; S40-E42 VanDerWaalsContact OG-N 3.14Å; E42-M67 CarbonylContact O-C 3.55Å; E42-M67 VanDerWaalsContact O-CA 3.28Å; E42-M67 WeakPolarHBondContact O-CA 3.34Å; E42-E68 PolarHBondContact O-N 2.86Å; E42-N69 HydrophobicContact CG-CB 4.07Å; E42-N69 WeakPolarHBondContact CG-ND2 3.34Å; E42-N69 WeakPolarHBondContact OE1-CB 3.36Å; E42-N69 PolarHBondContact OE1-ND2 2.94Å; E42-N69 VanDerWaalsContact OE1-ND2 3.13Å
43V96.6Very high92.5Very high22 Ų2261.7 Ų61.713%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-110.2105.4177-175.60000109.6K34 F35 A41 Q45 T65 M67 V297K34-V43 HydrophobicContact CB-CG2 3.8Å; F35-V43 HydrophobicContact CD2-CG1 3.97Å; A41-V43 PolarHBondContact O-N 3.25Å; V43-Q45 HydrophobicContact CG1-CB 4.33Å; V43-T65 HydrophobicContact CG1-CG2 4.21Å; V43-M67 HydrophobicContact CG2-CE 4.35Å; V43-M67 HydrophobicContact CG2-CG 4.47Å; V43-V297 HydrophobicContact CG1-CB 4.11Å; V43-V297 HydrophobicContact CG1-CG2 3.78Å; V43-V297 HydrophobicContact CG2-CG2 4.39Å
44V95.9Very high92.2Very high80 Ų8069.7 Ų69.749%0.48538%0.377SS..EExtended strand (participates in β ladder)trans-95.4104.5172.8-174.90000108.6T65 Y66V44-T65 WeakPolarHBondContact O-CA 3.34Å; V44-Y66 HydrophobicContact CG2-CD1 4.44Å; V44-Y66 PolarHBondContact N-O 3.21Å; V44-Y66 PolarHBondContact O-N 2.99Å
45Q95.9Very high92Very high32 Ų3277.7 Ų77.715%0.1541%0.412CS..  trans-137.9108.4179.2178.9-173.9-86.100109.8F35 V43 T65F35-Q45 HydrophobicContact CE2-CB 4.3Å; V43-Q45 HydrophobicContact CG1-CB 4.33Å; Q45-T65 HydrophobicContact CB-CG2 4.38Å; Q45-T65 PolarHBondContact OE1-OG1 3.26Å
46P94.2Very high91.7Very high72 Ų7280.8 Ų80.847%0.46843%0.427SS..PPolyproline II helixtrans-69.6157.516831.6-34.6000110.5P64P46-P64 HydrophobicContact CG-CG 3.69Å
47V92.6Very high91.3Very high39 Ų3987.8 Ų87.824%0.23645%0.452CS..PPolyproline II helixtrans-55.5144.1166.5179.80000109.5T49 E252V47-T49 PolarHBondContact O-N 2.83Å; V47-E252 HydrophobicContact CG2-CB 4.02Å; V47-E252 HydrophobicContact CG2-CG 3.47Å; V47-E252 VanDerWaalsContact CG2-CG 3.47Å; V47-E252 WeakPolarHBondContact CG2-OE1 3.45Å
48R94.4Very high91.1Very high31 Ų3182.2 Ų82.212%0.11743%0.433CS..PPolyproline II helixtrans-51.1127.8179.9179.3-177.6-57169.18.4111.2L62 M63 E257 L293 G294R48-L62 WeakPolarHBondContact CA-O 3.21Å; R48-M63 HydrophobicContact CB-CG 4.25Å; R48-M63 HydrophobicContact CG-CG 3.88Å; R48-M63 PolarHBondContact NE-SD 3.09Å; R48-M63 PolarHBondContact NH2-SD 2.95Å; R48-E257 WeakPolarHBondContact CD-OE1 3.39Å; R48-E257 IonicContact NE-OE1 2.82Å; R48-L293 PolarHBondContact NH2-O 3.08Å; R48-G294 PolarHBondContact NH2-O 2.9Å
49T94.5Very high91.6Very high80 Ų8073.7 Ų73.749%0.49140%0.401SS..EExtended strand (participates in β ladder)trans-85.5123.3169.3-59.90000109.1V47 G61 L62V47-T49 PolarHBondContact O-N 2.83Å; T49-G61 CarbonylContact O-C 3.54Å; T49-G61 WeakPolarHBondContact O-CA 3.26Å; T49-L62 PolarHBondContact N-O 2.78Å; T49-L62 PolarHBondContact O-N 3.09Å
50A93Very high92.2Very high58 Ų5869.1 Ų69.148%0.47938%0.376SS..EExtended strand (participates in β ladder)trans-109.3128.2177.600000111.7F59 M60A50-F59 HydrophobicContact CB-CD2 4.48Å; A50-M60 CarbonylContact C-O 3.41Å; A50-M60 WeakPolarHBondContact CA-O 3.35Å
51V94.9Very high92.8Very high59 Ų5966.9 Ų66.936%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-102.7109.2171.4-177.60000108.4L53 F59 M60V51-L53 PolarHBondContact O-N 2.69Å; V51-F59 CarbonylContact O-C 3.54Å; V51-F59 VanDerWaalsContact O-CA 3.24Å; V51-F59 WeakPolarHBondContact O-CA 3.43Å; V51-M60 HydrophobicContact CB-CB 4.39Å; V51-M60 HydrophobicContact CB-CE 4.22Å; V51-M60 HydrophobicContact CG2-CE 3.9Å; V51-M60 PolarHBondContact N-O 3.22Å; V51-M60 PolarHBondContact O-N 2.84Å
52P92.9Very high93.6Very high89 Ų8965.7 Ų65.758%0.57834%0.343SS*.EExtended strand (participates in β ladder)trans-70.6129.6-179.527.9-33.2000111.1
53L93.1Very high93.9Very high50 Ų5065.1 Ų65.126%0.26234%0.34SS..EExtended strand (participates in β ladder)trans-103.867176.8-57.5175.9000109.1V51 K55 H56 R57 G58 Y81V51-L53 PolarHBondContact O-N 2.69Å; L53-K55 VanDerWaalsContact C-N 3.34Å; L53-K55 PolarHBondContact O-N 2.76Å; L53-H56 CarbonylContact O-C 3.49Å; L53-H56 PolarHBondContact O-N 2.98Å; L53-R57 PolarHBondContact O-N 2.9Å; L53-R57 VanDerWaalsContact O-N 3.11Å; L53-G58 WeakPolarHBondContact CA-O 3.29Å; L53-G58 PolarHBondContact N-O 3.24Å; L53-G58 PolarHBondContact O-N 2.94Å; L53-Y81 HydrophobicContact CD1-CE1 4.08Å
54Q91.1Very high94Very high171 Ų17166.2 Ų66.280%0.79935%0.348SS*.G310 helixtrans-52.4-47.3-169.1-68.7-174.2-1100113.2H56 R57Q54-H56 PolarHBondContact O-N 2.98Å; Q54-H56 VanDerWaalsContact O-N 3.09Å; Q54-R57 PolarHBondContact O-N 3.44Å; Q54-R57 VanDerWaalsContact O-N 3.08Å
55K93.5Very high94.1Very high190 Ų19062.5 Ų62.583%0.82633%0.326SS*.G310 helixtrans-54.7-30.7178.3-176178.6179.1-177.80113.2L53L53-K55 VanDerWaalsContact C-N 3.34Å; L53-K55 PolarHBondContact O-N 2.76Å
56H90.9Very high94.2Very high108 Ų10864.5 Ų64.550%0.533%0.332SS..G310 helixtrans-108.910.1-175.7-60.7-68000113.3L53 Q54 G58 Y81L53-H56 CarbonylContact O-C 3.49Å; L53-H56 PolarHBondContact O-N 2.98Å; Q54-H56 PolarHBondContact O-N 2.98Å; Q54-H56 VanDerWaalsContact O-N 3.09Å; H56-G58 PolarHBondContact O-N 2.73Å; H56-Y81 HydrophobicContact CB-CD1 4.05Å; H56-Y81 HydrophobicContact CB-CE1 3.78Å
57R89.4Confident94.4Very high153 Ų15361.1 Ų61.158%0.57731%0.31SS*.THydrogen-bonded Turntrans51.439.2-177.9-56.9178.9176.9162.10.6112.4L53 Q54 K82 E84L53-R57 PolarHBondContact O-N 2.9Å; L53-R57 VanDerWaalsContact O-N 3.11Å; Q54-R57 PolarHBondContact O-N 3.44Å; Q54-R57 VanDerWaalsContact O-N 3.08Å; R57-K82 HydrophobicContact CB-CB 4.3Å; R57-K82 WeakPolarHBondContact O-CB 3.42Å; R57-K82 PolarHBondContact O-N 3.41Å; R57-E84 IonicContact NH1-OE1 3Å; R57-E84 PolarHBondContact NH1-OE1 3.39Å
58G90.6Very high94.5Very high5 Ų564.1 Ų64.15%0.05232%0.322CS..EExtended strand (participates in β ladder)trans-133.5-174.8-176.200000113.5L53 H56 F80L53-G58 WeakPolarHBondContact CA-O 3.29Å; L53-G58 PolarHBondContact N-O 3.24Å; L53-G58 PolarHBondContact O-N 2.94Å; H56-G58 PolarHBondContact O-N 2.73Å; G58-F80 CarbonylContact C-O 3.6Å; G58-F80 WeakPolarHBondContact CA-O 3.36Å
59F92.6Very high94.5Very high16 Ų1668.2 Ų68.27%0.0735%0.346CS..EExtended strand (participates in β ladder)trans-148.6156.5166.768.1-91.6000109.9A50 V51 C79 F80A50-F59 HydrophobicContact CB-CD2 4.48Å; V51-F59 CarbonylContact O-C 3.54Å; V51-F59 VanDerWaalsContact O-CA 3.24Å; V51-F59 WeakPolarHBondContact O-CA 3.43Å; F59-C79 WeakPolarHBondContact O-CA 3.24Å; F59-F80 HydrophobicContact CD1-CB 4.02Å; F59-F80 HydrophobicContact CD1-CD1 4.24Å; F59-F80 HydrophobicContact CD1-CG 4.5Å; F59-F80 HydrophobicContact CE1-CB 3.48Å; F59-F80 VanDerWaalsContact CE1-CB 3.48Å; F59-F80 AromaticContact CE1-CD1 3.81Å; F59-F80 HydrophobicContact CE1-CD1 3.81Å; F59-F80 AromaticContact CE1-CG 3.81Å; F59-F80 HydrophobicContact CE1-CG 3.81Å; F59-F80 HydrophobicContact CE2-CB 4.26Å; F59-F80 HydrophobicContact CZ-CB 3.61Å; F59-F80 HydrophobicContact CZ-CG 4.24Å; F59-F80 PolarHBondContact N-O 2.82Å; F59-F80 PolarHBondContact O-N 3.36Å
60M95.5Very high94.5Very high58 Ų5867.9 Ų67.929%0.28634%0.341SS..EExtended strand (participates in β ladder)trans-106.8127.2165.2179.4-177.174.100108.5A50 V51 V78A50-M60 CarbonylContact C-O 3.41Å; A50-M60 WeakPolarHBondContact CA-O 3.35Å; V51-M60 HydrophobicContact CB-CB 4.39Å; V51-M60 HydrophobicContact CB-CE 4.22Å; V51-M60 HydrophobicContact CG2-CE 3.9Å; V51-M60 PolarHBondContact N-O 3.22Å; V51-M60 PolarHBondContact O-N 2.84Å; M60-V78 CarbonylContact C-O 3.51Å; M60-V78 WeakPolarHBondContact CA-O 3.43Å
61G95.7Very high94.7Very high0 Ų066.4 Ų66.40%033%0.332CS..EExtended strand (participates in β ladder)trans-105.5139.4174.800000111.2T49 V78T49-G61 CarbonylContact O-C 3.54Å; T49-G61 WeakPolarHBondContact O-CA 3.26Å; G61-V78 PolarHBondContact N-O 3.22Å; G61-V78 PolarHBondContact O-N 3Å
62L97.3Very high94.8Very high48 Ų4864 Ų6425%0.25132%0.317SS..EExtended strand (participates in β ladder)trans-113129.2171.9-63.9169.9000109R48 T49 F77R48-L62 WeakPolarHBondContact CA-O 3.21Å; T49-L62 PolarHBondContact N-O 2.78Å; T49-L62 PolarHBondContact O-N 3.09Å; L62-F77 HydrophobicContact CD2-CD1 3.2Å; L62-F77 HydrophobicContact CD2-CE1 3.27Å; L62-F77 HydrophobicContact CD2-CG 4.17Å; L62-F77 HydrophobicContact CD2-CZ 4.3Å
63M98.1Very high95.1Very high6 Ų661.9 Ų61.93%0.0330%0.301CS..EExtended strand (participates in β ladder)trans-130.574-177.7-59.617361.700109.7R48 T75 K76 V78 G294 G296 D299R48-M63 HydrophobicContact CB-CG 4.25Å; R48-M63 HydrophobicContact CG-CG 3.88Å; R48-M63 PolarHBondContact NE-SD 3.09Å; R48-M63 PolarHBondContact NH2-SD 2.95Å; M63-T75 WeakPolarHBondContact O-CA 3.3Å; M63-K76 HydrophobicContact CB-CB 4.29Å; M63-K76 PolarHBondContact N-O 2.74Å; M63-K76 PolarHBondContact O-N 3.1Å; M63-K76 VanDerWaalsContact O-N 3.16Å; M63-K76 WeakPolarHBondContact SD-CE 3.47Å; M63-K76 PolarHBondContact SD-NZ 3.4Å; M63-K76 VanDerWaalsContact SD-NZ 3.44Å; M63-V78 HydrophobicContact SD-CG1 4.34Å; M63-G294 WeakPolarHBondContact CE-O 3.34Å; M63-G296 VanDerWaalsContact CE-N 3.32Å; M63-D299 WeakPolarHBondContact CE-OD2 3.36Å
64P98.1Very high95.3Very high46 Ų4659.6 Ų59.630%0.29929%0.289SS..EExtended strand (participates in β ladder)trans-73.3144.6174.830.8-33.5000110.8P46 S74 T75P46-P64 HydrophobicContact CG-CG 3.69Å; P64-S74 WeakPolarHBondContact CA-O 3.48Å; P64-T75 WeakPolarHBondContact CA-OG1 3.48Å; P64-T75 WeakPolarHBondContact CB-OG1 3.27Å
65T98.1Very high95.7Very high2 Ų252.6 Ų52.61%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-150.4134.2175.9-60.20000110.5V43 V44 Q45 M67 S74 G296 V297 A300V43-T65 HydrophobicContact CG1-CG2 4.21Å; V44-T65 WeakPolarHBondContact O-CA 3.34Å; Q45-T65 HydrophobicContact CB-CG2 4.38Å; Q45-T65 PolarHBondContact OE1-OG1 3.26Å; T65-M67 HydrophobicContact CG2-CG 4.23Å; T65-S74 PolarHBondContact N-O 2.8Å; T65-S74 PolarHBondContact O-N 3.34Å; T65-G296 WeakPolarHBondContact OG1-CA 3.39Å; T65-V297 HydrophobicContact CG2-CB 3.84Å; T65-V297 HydrophobicContact CG2-CG2 4.11Å; T65-V297 PolarHBondContact OG1-N 3.31Å; T65-A300 HydrophobicContact CG2-CB 4.25Å
66Y98Very high95.9Very high73 Ų7343.6 Ų43.629%0.28622%0.219SC..EExtended strand (participates in β ladder)trans-119.4125.4170.4178-127.2000109.6V44 E68 V72 L73 P101V44-Y66 HydrophobicContact CG2-CD1 4.44Å; V44-Y66 PolarHBondContact N-O 3.21Å; V44-Y66 PolarHBondContact O-N 2.99Å; Y66-E68 HydrophobicContact CD1-CB 4.4Å; Y66-E68 HydrophobicContact CE1-CB 3.75Å; Y66-E68 HydrophobicContact CE1-CG 4.01Å; Y66-V72 CarbonylContact C-O 3.56Å; Y66-V72 WeakPolarHBondContact CA-O 3.35Å; Y66-L73 HydrophobicContact CD2-CB 4.1Å; Y66-L73 HydrophobicContact CD2-CD1 4.23Å; Y66-L73 HydrophobicContact CG-CD1 4.42Å; Y66-P101 HydrophobicContact CD2-CB 4.42Å; Y66-P101 HydrophobicContact CE2-CB 3.7Å
67M97.6Very high96.2Very high1 Ų142.4 Ų42.41%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-108.5100.8172.8-57.5179.974.500107.9A31 K34 E42 V43 T65 D70 G71 V72 V297 V301A31-M67 HydrophobicContact CB-CE 4.36Å; K34-M67 HydrophobicContact CD-CE 4.04Å; E42-M67 CarbonylContact O-C 3.55Å; E42-M67 VanDerWaalsContact O-CA 3.28Å; E42-M67 WeakPolarHBondContact O-CA 3.34Å; V43-M67 HydrophobicContact CG2-CE 4.35Å; V43-M67 HydrophobicContact CG2-CG 4.47Å; T65-M67 HydrophobicContact CG2-CG 4.23Å; M67-D70 HydrophobicContact CB-CB 4.01Å; M67-D70 WeakPolarHBondContact CE-OD2 3.39Å; M67-D70 PolarHBondContact O-N 3.43Å; M67-G71 PolarHBondContact O-N 3.23Å; M67-V72 HydrophobicContact CB-CB 4.22Å; M67-V72 PolarHBondContact N-O 2.71Å; M67-V72 PolarHBondContact O-N 2.93Å; M67-V297 HydrophobicContact CE-CG2 3.86Å; M67-V297 HydrophobicContact CG-CG2 4.1Å; M67-V297 HydrophobicContact SD-CG2 3.65Å; M67-V301 HydrophobicContact CE-CG1 3.82Å; M67-V301 HydrophobicContact SD-CG1 3.42Å; M67-V301 WeakPolarHBondContact SD-CG1 3.31Å
68E94.6Very high96.5Very high102 Ų10235.8 Ų35.848%0.47719%0.188SC..THydrogen-bonded Turntrans-61.6-51.1-166.7-176.7172.5-161.100112.5E42 Y66 D70 G71E42-E68 PolarHBondContact O-N 2.86Å; Y66-E68 HydrophobicContact CD1-CB 4.4Å; Y66-E68 HydrophobicContact CE1-CB 3.75Å; Y66-E68 HydrophobicContact CE1-CG 4.01Å; E68-D70 VanDerWaalsContact C-N 3.33Å; E68-D70 PolarHBondContact O-N 3.13Å; E68-G71 PolarHBondContact O-N 2.77Å
69N94.1Very high96.7Very high118 Ų11836.9 Ų36.963%0.63120%0.195SC*.THydrogen-bonded Turntrans-72.8-27.3-177.7-63.4-25.9000113.1E42E42-N69 HydrophobicContact CG-CB 4.07Å; E42-N69 WeakPolarHBondContact CG-ND2 3.34Å; E42-N69 WeakPolarHBondContact OE1-CB 3.36Å; E42-N69 PolarHBondContact OE1-ND2 2.94Å; E42-N69 VanDerWaalsContact OE1-ND2 3.13Å
70D95.3Very high96.6Very high73 Ų7338 Ų3839%0.3920%0.2SC..THydrogen-bonded Turntrans-85.4-11.5178-60.6-77.7000112.3K34 M67 E68 V72K34-D70 IonicContact NZ-OD1 3.36Å; K34-D70 PolarHBondContact NZ-OD1 2.9Å; K34-D70 IonicContact NZ-OD2 3.51Å; K34-D70 PolarHBondContact NZ-OD2 3.11Å; M67-D70 HydrophobicContact CB-CB 4.01Å; M67-D70 WeakPolarHBondContact CE-OD2 3.39Å; M67-D70 PolarHBondContact O-N 3.43Å; E68-D70 VanDerWaalsContact C-N 3.33Å; E68-D70 PolarHBondContact O-N 3.13Å; D70-V72 HydrophobicContact CB-CG2 3.92Å; D70-V72 PolarHBondContact O-N 3.3Å
71G96.1Very high96.3Very high27 Ų2737.3 Ų37.328%0.27819%0.194SC..THydrogen-bonded Turntrans63.728.7-176.200000113.3M67 E68 P101M67-G71 PolarHBondContact O-N 3.23Å; E68-G71 PolarHBondContact O-N 2.77Å; G71-P101 WeakPolarHBondContact O-CG 3.3Å
72V98.1Very high95.9Very high7 Ų742.6 Ų42.64%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-103.6111.8-177.3-176.80000109.8Y66 M67 D70 L98 A300 Q304Y66-V72 CarbonylContact C-O 3.56Å; Y66-V72 WeakPolarHBondContact CA-O 3.35Å; M67-V72 HydrophobicContact CB-CB 4.22Å; M67-V72 PolarHBondContact N-O 2.71Å; M67-V72 PolarHBondContact O-N 2.93Å; D70-V72 HydrophobicContact CB-CG2 3.92Å; D70-V72 PolarHBondContact O-N 3.3Å; V72-L98 HydrophobicContact CG1-CD2 4.37Å; V72-A300 HydrophobicContact CG1-CB 4.01Å; V72-Q304 HydrophobicContact CG1-CB 4.2Å; V72-Q304 HydrophobicContact CG2-CB 4.17Å; V72-Q304 HydrophobicContact CG2-CG 3.85Å
73L98.4Very high95.3Very high46 Ų4644 Ų4424%0.24122%0.219CC..EExtended strand (participates in β ladder)trans-111.1120.8168.9-179.960.8000109.2Y66 L99 P101Y66-L73 HydrophobicContact CD2-CB 4.1Å; Y66-L73 HydrophobicContact CD2-CD1 4.23Å; Y66-L73 HydrophobicContact CG-CD1 4.42Å; L73-L99 HydrophobicContact CB-CB 4.26Å; L73-L99 HydrophobicContact CD2-CB 3.79Å; L73-L99 HydrophobicContact CG-CB 3.9Å; L73-L99 HydrophobicContact CG-CD1 4.25Å; L73-L99 PolarHBondContact O-N 3.45Å; L73-P101 HydrophobicContact CB-CB 4.12Å
74S98.6Very high94.7Very high1 Ų150.1 Ų50.11%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-140.2161.117888.60000112.8P64 T65 V97 A300P64-S74 WeakPolarHBondContact CA-O 3.48Å; T65-S74 PolarHBondContact N-O 2.8Å; T65-S74 PolarHBondContact O-N 3.34Å; S74-V97 CarbonylContact C-O 3.57Å; S74-V97 WeakPolarHBondContact CA-O 3.39Å; S74-V97 WeakPolarHBondContact CB-O 3.44Å; S74-A300 VanDerWaalsContact OG-CA 3.23Å; S74-A300 WeakPolarHBondContact OG-CA 3.36Å; S74-A300 WeakPolarHBondContact OG-CB 3.42Å
75T98.5Very high93.8Very high24 Ų2457.6 Ų57.615%0.14728%0.276CS..EExtended strand (participates in β ladder)trans-141.2135.9163.2-142.70000110.1M63 P64 F77 V97M63-T75 WeakPolarHBondContact O-CA 3.3Å; P64-T75 WeakPolarHBondContact CA-OG1 3.48Å; P64-T75 WeakPolarHBondContact CB-OG1 3.27Å; T75-F77 HydrophobicContact CG2-CD2 3.91Å; T75-F77 HydrophobicContact CG2-CE1 4.44Å; T75-F77 HydrophobicContact CG2-CE2 3.21Å; T75-F77 HydrophobicContact CG2-CZ 3.52Å; T75-V97 HydrophobicContact CG2-CB 4.47Å; T75-V97 PolarHBondContact N-O 3.47Å; T75-V97 PolarHBondContact O-N 2.86Å
76K98.6Very high92.9Very high2 Ų261 Ų611%0.00931%0.312CS..EExtended strand (participates in β ladder)trans-99132.2167.2-177.5178.869.5-165.80110.6M63 V78 A94 T95 V96 D299M63-K76 HydrophobicContact CB-CB 4.29Å; M63-K76 PolarHBondContact N-O 2.74Å; M63-K76 PolarHBondContact O-N 3.1Å; M63-K76 VanDerWaalsContact O-N 3.16Å; M63-K76 WeakPolarHBondContact SD-CE 3.47Å; M63-K76 PolarHBondContact SD-NZ 3.4Å; M63-K76 VanDerWaalsContact SD-NZ 3.44Å; K76-V78 HydrophobicContact CD-CB 4.5Å; K76-A94 HydrophobicContact CD-CB 4.31Å; K76-A94 HydrophobicContact CG-CB 4.48Å; K76-T95 WeakPolarHBondContact CA-O 2.97Å; K76-V96 HydrophobicContact CB-CG2 4.13Å; K76-V96 HydrophobicContact CD-CG2 4.21Å; K76-V96 HydrophobicContact CG-CG2 3.96Å; K76-D299 HydrophobicContact CB-CB 4.26Å; K76-D299 HydrophobicContact CD-CB 4.36Å; K76-D299 WeakPolarHBondContact CD-OD1 3.13Å; K76-D299 WeakPolarHBondContact CD-OD2 3.4Å; K76-D299 WeakPolarHBondContact CE-OD2 3.21Å; K76-D299 IonicContact NZ-OD1 2.81Å; K76-D299 PolarHBondContact NZ-OD1 3.07Å; K76-D299 IonicContact NZ-OD2 2.67Å; K76-D299 PolarHBondContact NZ-OD2 2.98Å
77F97.4Very high92.2Very high83 Ų8360.1 Ų60.136%0.36432%0.316SS..EExtended strand (participates in β ladder)trans-97.4124.6162.6-56.8-94.7000107.7L62 T75 A94 T95 V97L62-F77 HydrophobicContact CD2-CD1 3.2Å; L62-F77 HydrophobicContact CD2-CE1 3.27Å; L62-F77 HydrophobicContact CD2-CG 4.17Å; L62-F77 HydrophobicContact CD2-CZ 4.3Å; T75-F77 HydrophobicContact CG2-CD2 3.91Å; T75-F77 HydrophobicContact CG2-CE1 4.44Å; T75-F77 HydrophobicContact CG2-CE2 3.21Å; T75-F77 HydrophobicContact CG2-CZ 3.52Å; F77-A94 CarbonylContact O-C 3.54Å; F77-A94 WeakPolarHBondContact O-CA 3.41Å; F77-T95 PolarHBondContact N-O 3.46Å; F77-T95 PolarHBondContact O-N 3.22Å; F77-V97 HydrophobicContact CD2-CG2 4.18Å; F77-V97 HydrophobicContact CE2-CB 4.49Å; F77-V97 HydrophobicContact CE2-CG2 3.76Å
78V96.2Very high91.7Very high13 Ų1366.8 Ų66.88%0.07936%0.357CS..EExtended strand (participates in β ladder)trans-130.3126.6175.759.10000110.4M60 G61 M63 K76 V92 Q93 A94M60-V78 CarbonylContact C-O 3.51Å; M60-V78 WeakPolarHBondContact CA-O 3.43Å; G61-V78 PolarHBondContact N-O 3.22Å; G61-V78 PolarHBondContact O-N 3Å; M63-V78 HydrophobicContact SD-CG1 4.34Å; K76-V78 HydrophobicContact CD-CB 4.5Å; V78-V92 HydrophobicContact CG2-CG1 3.94Å; V78-Q93 CarbonylContact C-O 3.48Å; V78-Q93 WeakPolarHBondContact CA-O 3.34Å; V78-A94 HydrophobicContact CB-CB 4.25Å; V78-A94 HydrophobicContact CG2-CB 4.23Å
79C94.3Very high91.3Very high29 Ų2966.6 Ų66.620%0.19636%0.359CS..EExtended strand (participates in β ladder)trans-107125.2172.4-71.10000109.4F59 Y81 V92 Q93F59-C79 WeakPolarHBondContact O-CA 3.24Å; C79-Y81 HydrophobicContact CB-CD2 4.42Å; C79-Y81 HydrophobicContact CB-CE2 3.65Å; C79-V92 VanDerWaalsContact O-CA 3.3Å; C79-V92 WeakPolarHBondContact O-CA 3.28Å; C79-Q93 PolarHBondContact N-O 3.41Å; C79-Q93 PolarHBondContact O-N 3.46Å
80F90.6Very high90.9Very high39 Ų3963.4 Ų63.417%0.17135%0.345CS..EExtended strand (participates in β ladder)trans-113.4136.4172176.9-76.9000110G58 F59 A91 V92 W233G58-F80 CarbonylContact C-O 3.6Å; G58-F80 WeakPolarHBondContact CA-O 3.36Å; F59-F80 HydrophobicContact CD1-CB 4.02Å; F59-F80 HydrophobicContact CD1-CD1 4.24Å; F59-F80 HydrophobicContact CD1-CG 4.5Å; F59-F80 HydrophobicContact CE1-CB 3.48Å; F59-F80 VanDerWaalsContact CE1-CB 3.48Å; F59-F80 AromaticContact CE1-CD1 3.81Å; F59-F80 HydrophobicContact CE1-CD1 3.81Å; F59-F80 AromaticContact CE1-CG 3.81Å; F59-F80 HydrophobicContact CE1-CG 3.81Å; F59-F80 HydrophobicContact CE2-CB 4.26Å; F59-F80 HydrophobicContact CZ-CB 3.61Å; F59-F80 HydrophobicContact CZ-CG 4.24Å; F59-F80 PolarHBondContact N-O 2.82Å; F59-F80 PolarHBondContact O-N 3.36Å; F80-A91 CarbonylContact C-O 3.48Å; F80-A91 VanDerWaalsContact CA-O 3.31Å; F80-A91 WeakPolarHBondContact CA-O 3.27Å; F80-V92 HydrophobicContact CD2-CG2 3.75Å; F80-V92 HydrophobicContact CE2-CG2 4.34Å; F80-W233 HydrophobicContact CD1-CH2 4.46Å; F80-W233 AromaticContact CE1-CH2 3.56Å; F80-W233 HydrophobicContact CE1-CH2 3.56Å; F80-W233 AromaticContact CE1-CZ3 3.86Å; F80-W233 HydrophobicContact CE1-CZ3 3.86Å; F80-W233 AromaticContact CZ-CH2 3.96Å; F80-W233 HydrophobicContact CZ-CH2 3.96Å; F80-W233 AromaticContact CZ-CZ3 3.84Å; F80-W233 HydrophobicContact CZ-CZ3 3.84Å
81Y89.8Confident90.4Very high43 Ų4362 Ų6217%0.16934%0.343CS..EExtended strand (participates in β ladder)trans-128.7130.5177.7-64.8-89.7000111.3L53 H56 C79 R83 A91L53-Y81 HydrophobicContact CD1-CE1 4.08Å; H56-Y81 HydrophobicContact CB-CD1 4.05Å; H56-Y81 HydrophobicContact CB-CE1 3.78Å; C79-Y81 HydrophobicContact CB-CD2 4.42Å; C79-Y81 HydrophobicContact CB-CE2 3.65Å; Y81-R83 VanDerWaalsContact CD2-NH2 3.26Å; Y81-R83 PolarHBondContact O-N 2.82Å; Y81-A91 PolarHBondContact N-O 3.12Å
82K85.3Confident90.1Very high111 Ų11163.2 Ų63.248%0.48335%0.345SS..  trans-74.699.3167.3-172.7171.9-176.3170.30108.6R57R57-K82 HydrophobicContact CB-CB 4.3Å; R57-K82 WeakPolarHBondContact O-CB 3.42Å; R57-K82 PolarHBondContact O-N 3.41Å
83R85.8Confident89.9Confident77 Ų7767.6 Ų67.629%0.29137%0.365SS..PPolyproline II helixtrans-82.7148.3179-59-58.1-175-166.2-2.2111.5Y81 P90 A91Y81-R83 VanDerWaalsContact CD2-NH2 3.26Å; Y81-R83 PolarHBondContact O-N 2.82Å; R83-P90 PolarHBondContact NE-O 2.73Å; R83-P90 PolarHBondContact NH2-O 3.12Å; R83-A91 HydrophobicContact CG-CB 4.2Å
84E85Confident89.9Confident135 Ų13565.7 Ų65.763%0.63136%0.356SS*.PPolyproline II helixtrans-73.1155.5172.5-60.9-169.8159.700110.6R57 G86 S87R57-E84 IonicContact NH1-OE1 3Å; R57-E84 PolarHBondContact NH1-OE1 3.39Å; E84-G86 PolarHBondContact O-N 2.97Å; E84-S87 VanDerWaalsContact O-CB 3.31Å; E84-S87 WeakPolarHBondContact O-CB 3.34Å; E84-S87 PolarHBondContact O-N 3.45Å
85K79.7Confident89.9Confident203 Ų20367.9 Ų67.988%0.88337%0.369SS*.THydrogen-bonded Turntrans-58.1127.1178.6-173.8-178.4178.3-174.70109.2
86G79.2Confident89.9Confident75 Ų7566.7 Ų66.777%0.77336%0.362SS*.THydrogen-bonded Turntrans87.50.5-179.600000115.2E84E84-G86 PolarHBondContact O-N 2.97Å
87S83.8Confident89.9Confident54 Ų5467.2 Ų67.238%0.37837%0.366SS..  trans-62.6138.5173.1-170.80000111.6E84 L89E84-S87 VanDerWaalsContact O-CB 3.31Å; E84-S87 WeakPolarHBondContact O-CB 3.34Å; E84-S87 PolarHBondContact O-N 3.45Å; S87-L89 PolarHBondContact OG-N 2.86Å
88T85.8Confident89.9Confident141 Ų14163.3 Ų63.387%0.86535%0.348SS*.  trans-89.9-7.2173.255.30000113
89L87.8Confident90Very high97 Ų9764.4 Ų64.451%0.50835%0.354SS..SBendtrans-75.2141.7-179.2-63.9177.5000110.7S87 A91S87-L89 PolarHBondContact OG-N 2.86Å; L89-A91 PolarHBondContact O-N 3.36Å
90P84.6Confident90.1Very high52 Ų5264.6 Ų64.634%0.33835%0.353SS..  trans-61.7137.3176.425.4-33.1000110.6R83 Q93R83-P90 PolarHBondContact NE-O 2.73Å; R83-P90 PolarHBondContact NH2-O 3.12Å; P90-Q93 HydrophobicContact CB-CG 4.09Å; P90-Q93 HydrophobicContact CG-CG 3.8Å
91A86.1Confident90.3Very high43 Ų4365.2 Ų65.236%0.35536%0.361SS..SBendtrans-80.1-27.817600000112F80 Y81 R83 L89F80-A91 CarbonylContact C-O 3.48Å; F80-A91 VanDerWaalsContact CA-O 3.31Å; F80-A91 WeakPolarHBondContact CA-O 3.27Å; Y81-A91 PolarHBondContact N-O 3.12Å; R83-A91 HydrophobicContact CG-CB 4.2Å; L89-A91 PolarHBondContact O-N 3.36Å
92V89.3Confident90.5Very high52 Ų5271.4 Ų71.432%0.31539%0.391SS..EExtended strand (participates in β ladder)trans-129.8133.6178.1-179.70000108.1V78 C79 F80V78-V92 HydrophobicContact CG2-CG1 3.94Å; C79-V92 VanDerWaalsContact O-CA 3.3Å; C79-V92 WeakPolarHBondContact O-CA 3.28Å; F80-V92 HydrophobicContact CD2-CG2 3.75Å; F80-V92 HydrophobicContact CE2-CG2 4.34Å
93Q94.1Very high90.8Very high99 Ų9973.5 Ų73.546%0.46340%0.396SS..EExtended strand (participates in β ladder)trans-130.4140.8164.1-65.5-158.1-83.500108.3V78 C79 P90V78-Q93 CarbonylContact C-O 3.48Å; V78-Q93 WeakPolarHBondContact CA-O 3.34Å; C79-Q93 PolarHBondContact N-O 3.41Å; C79-Q93 PolarHBondContact O-N 3.46Å; P90-Q93 HydrophobicContact CB-CG 4.09Å; P90-Q93 HydrophobicContact CG-CG 3.8Å
94A97.1Very high91.1Very high6 Ų672.1 Ų72.15%0.0541%0.405CS..EExtended strand (participates in β ladder)trans-143.2148179.700000111.9K76 F77 V78 G112K76-A94 HydrophobicContact CD-CB 4.31Å; K76-A94 HydrophobicContact CG-CB 4.48Å; F77-A94 CarbonylContact O-C 3.54Å; F77-A94 WeakPolarHBondContact O-CA 3.41Å; V78-A94 HydrophobicContact CB-CB 4.25Å; V78-A94 HydrophobicContact CG2-CB 4.23Å; A94-G112 VanDerWaalsContact O-CA 3.25Å; A94-G112 WeakPolarHBondContact O-CA 3.47Å; A94-G112 PolarHBondContact O-N 2.95Å
95T98.4Very high91.6Very high47 Ų4767.7 Ų67.729%0.28839%0.386SS..EExtended strand (participates in β ladder)trans-132.9133.1172.5-59.90000107.6K76 F77 V97 V109 M110K76-T95 WeakPolarHBondContact CA-O 2.97Å; F77-T95 PolarHBondContact N-O 3.46Å; F77-T95 PolarHBondContact O-N 3.22Å; T95-V97 HydrophobicContact CG2-CG2 4.39Å; T95-V109 HydrophobicContact CG2-CG1 3.49Å; T95-V109 VanDerWaalsContact CG2-CG1 3.49Å; T95-M110 WeakPolarHBondContact CA-O 3.47Å
96V98.7Very high92.4Very high0 Ų061.2 Ų61.20%036%0.36CS..EExtended strand (participates in β ladder)trans-108134.5172.5-171.30000108.7K76 M110 I115 A303K76-V96 HydrophobicContact CB-CG2 4.13Å; K76-V96 HydrophobicContact CD-CG2 4.21Å; K76-V96 HydrophobicContact CG-CG2 3.96Å; V96-M110 PolarHBondContact N-O 3.46Å; V96-M110 PolarHBondContact O-N 2.85Å; V96-I115 HydrophobicContact CB-CD1 4.26Å; V96-I115 HydrophobicContact CG2-CD1 4.03Å; V96-I115 HydrophobicContact CG2-CG2 4.27Å; V96-A303 HydrophobicContact CB-CB 4.33Å; V96-A303 HydrophobicContact CG1-CB 3.58Å
97V98.5Very high93.2Very high13 Ų1360 Ų608%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-115.2127.9177.9-178.10000108.3S74 T75 F77 T95 L99 I106 A108 V109S74-V97 CarbonylContact C-O 3.57Å; S74-V97 WeakPolarHBondContact CA-O 3.39Å; S74-V97 WeakPolarHBondContact CB-O 3.44Å; T75-V97 HydrophobicContact CG2-CB 4.47Å; T75-V97 PolarHBondContact N-O 3.47Å; T75-V97 PolarHBondContact O-N 2.86Å; F77-V97 HydrophobicContact CD2-CG2 4.18Å; F77-V97 HydrophobicContact CE2-CB 4.49Å; F77-V97 HydrophobicContact CE2-CG2 3.76Å; T95-V97 HydrophobicContact CG2-CG2 4.39Å; V97-L99 HydrophobicContact CG1-CD1 4.03Å; V97-L99 HydrophobicContact CG1-CG 4.3Å; V97-I106 HydrophobicContact CG1-CB 4.28Å; V97-I106 HydrophobicContact CG1-CD1 4.04Å; V97-I106 HydrophobicContact CG1-CG1 3.86Å; V97-I106 HydrophobicContact CG1-CG2 3.52Å; V97-A108 WeakPolarHBondContact CA-O 3.29Å; V97-V109 HydrophobicContact CG2-CG2 4.47Å
98L98.3Very high93.9Very high0 Ų057.5 Ų57.50%032%0.316CS..EExtended strand (participates in β ladder)trans-99.7135.3169.2-73.3176.1000109.7V72 K107 A108 M110 A303 F307V72-L98 HydrophobicContact CG1-CD2 4.37Å; L98-K107 PolarHBondContact O-N 3.25Å; L98-A108 HydrophobicContact CB-CB 4.32Å; L98-A108 HydrophobicContact CD1-CB 4.48Å; L98-A108 PolarHBondContact N-O 2.91Å; L98-A108 PolarHBondContact O-N 3.13Å; L98-M110 HydrophobicContact CD1-CE 4.22Å; L98-M110 HydrophobicContact CD1-SD 4.32Å; L98-A303 HydrophobicContact CD1-CB 4.17Å; L98-A303 HydrophobicContact CD2-CB 3.86Å; L98-A303 HydrophobicContact CG-CB 3.94Å; L98-F307 HydrophobicContact CD1-CB 3.62Å; L98-F307 HydrophobicContact CD1-CD2 4.43Å; L98-F307 HydrophobicContact CD1-CG 4.01Å
99L97.9Very high94.5Very high37 Ų3752.7 Ų52.719%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-118.9154179.7-58.492.8000110.2L73 V97 N105 K107L73-L99 HydrophobicContact CB-CB 4.26Å; L73-L99 HydrophobicContact CD2-CB 3.79Å; L73-L99 HydrophobicContact CG-CB 3.9Å; L73-L99 HydrophobicContact CG-CD1 4.25Å; L73-L99 PolarHBondContact O-N 3.45Å; V97-L99 HydrophobicContact CG1-CD1 4.03Å; V97-L99 HydrophobicContact CG1-CG 4.3Å; L99-N105 WeakPolarHBondContact CA-O 3.26Å; L99-K107 WeakPolarHBondContact O-CE 3.35Å
100D95.6Very high95Very high33 Ų3348 Ų4818%0.17626%0.262CS..  trans-76.4118.5165.5-172.8-53.5000108.2E102 R103 G104 N105 K107D100-E102 VanDerWaalsContact C-N 3.28Å; D100-E102 PolarHBondContact O-N 2.76Å; D100-E102 WeakPolarHBondContact OD1-CA 3.34Å; D100-E102 WeakPolarHBondContact OD1-CB 3.43Å; D100-E102 PolarHBondContact OD1-N 2.79Å; D100-R103 HydrophobicContact CB-CB 4.12Å; D100-R103 PolarHBondContact OD1-N 3.11Å; D100-G104 WeakPolarHBondContact O-CA 3.43Å; D100-G104 PolarHBondContact O-N 2.64Å; D100-N105 PolarHBondContact N-O 3.48Å; D100-K107 HydrophobicContact CB-CD 4.15Å; D100-K107 HydrophobicContact CB-CG 4.1Å
101P95.2Very high95.6Very high52 Ų5245.8 Ų45.834%0.33825%0.247SC..THydrogen-bonded Turntrans-68.9-23.9-178.628.8-36.1000113.7Y66 G71 L73Y66-P101 HydrophobicContact CD2-CB 4.42Å; Y66-P101 HydrophobicContact CE2-CB 3.7Å; G71-P101 WeakPolarHBondContact O-CG 3.3Å; L73-P101 HydrophobicContact CB-CB 4.12Å
102E93.6Very high96.2Very high173 Ų17343.8 Ų43.881%0.80823%0.23SC*.THydrogen-bonded Turntrans-83.6-43.2179.1-175-176.4178.100111D100D100-E102 VanDerWaalsContact C-N 3.28Å; D100-E102 PolarHBondContact O-N 2.76Å; D100-E102 WeakPolarHBondContact OD1-CA 3.34Å; D100-E102 WeakPolarHBondContact OD1-CB 3.43Å; D100-E102 PolarHBondContact OD1-N 2.79Å
103R91.9Very high96.5Very high155 Ų15543.9 Ų43.959%0.58523%0.228SC*.THydrogen-bonded Turntrans-99.2-20.1-172.3-62.3178.7-179.4-167.91.5114.2D100 N105D100-R103 HydrophobicContact CB-CB 4.12Å; D100-R103 PolarHBondContact OD1-N 3.11Å; R103-N105 WeakPolarHBondContact CB-OD1 3.35Å; R103-N105 PolarHBondContact O-N 3.17Å
104G92.6Very high96.7Very high47 Ų4739.6 Ų39.649%0.48521%0.208SC..  trans73.4-2-178.300000115.4D100D100-G104 WeakPolarHBondContact O-CA 3.43Å; D100-G104 PolarHBondContact O-N 2.64Å
105N95.1Very high96.7Very high42 Ų4239.3 Ų39.323%0.22521%0.206CC..  trans-75.5154.3176.666.9-81.8000111.6A4 L99 D100 R103 K107A4-N105 HydrophobicContact CB-CB 3.99Å; L99-N105 WeakPolarHBondContact CA-O 3.26Å; D100-N105 PolarHBondContact N-O 3.48Å; R103-N105 WeakPolarHBondContact CB-OD1 3.35Å; R103-N105 PolarHBondContact O-N 3.17Å; N105-K107 PolarHBondContact O-N 3.28Å
106I97.3Very high96.7Very high68 Ų6837.7 Ų37.735%0.34920%0.196SC..EExtended strand (participates in β ladder)trans-73.8126.9174.9-59.7173.2000108.6P7 V97 V109P7-I106 HydrophobicContact CB-CB 4.07Å; P7-I106 HydrophobicContact CB-CG2 3.62Å; P7-I106 HydrophobicContact CG-CG2 4.37Å; V97-I106 HydrophobicContact CG1-CB 4.28Å; V97-I106 HydrophobicContact CG1-CD1 4.04Å; V97-I106 HydrophobicContact CG1-CG1 3.86Å; V97-I106 HydrophobicContact CG1-CG2 3.52Å; I106-V109 HydrophobicContact CG2-CG2 3.92Å
107K95.9Very high96.7Very high50 Ų5038.3 Ų38.322%0.21720%0.201CC..EExtended strand (participates in β ladder)trans-87-46.9172.7-63-174.6-56.9-169.10110.9P7 V8 L98 L99 D100 N105P7-K107 WeakPolarHBondContact CA-O 3.38Å; V8-K107 PolarHBondContact N-O 3.17Å; L98-K107 PolarHBondContact O-N 3.25Å; L99-K107 WeakPolarHBondContact O-CE 3.35Å; D100-K107 HydrophobicContact CB-CD 4.15Å; D100-K107 HydrophobicContact CB-CG 4.1Å; N105-K107 PolarHBondContact O-N 3.28Å
108A98Very high96.7Very high0 Ų038.9 Ų38.90%020%0.203CC..EExtended strand (participates in β ladder)trans-145.8147.3-17600000112.6V8 I10 V97 L98 M110 F307V8-A108 HydrophobicContact CG2-CB 3.64Å; V8-A108 CarbonylContact O-C 3.55Å; V8-A108 VanDerWaalsContact O-CA 3.29Å; V8-A108 WeakPolarHBondContact O-CA 3.15Å; I10-A108 HydrophobicContact CD1-CB 4.47Å; V97-A108 WeakPolarHBondContact CA-O 3.29Å; L98-A108 HydrophobicContact CB-CB 4.32Å; L98-A108 HydrophobicContact CD1-CB 4.48Å; L98-A108 PolarHBondContact N-O 2.91Å; L98-A108 PolarHBondContact O-N 3.13Å; A108-M110 HydrophobicContact CB-CE 4.28Å; A108-M110 HydrophobicContact CB-CG 4.31Å; A108-F307 HydrophobicContact CB-CD2 3.74Å; A108-F307 HydrophobicContact CB-CE2 3.98Å
109V98.5Very high96.7Very high40 Ų4039.4 Ų39.424%0.24221%0.205CC..EExtended strand (participates in β ladder)trans-118.8122.4167.8-177.50000107.9V8 I9 I10 T95 V97 I106V8-V109 PolarHBondContact O-N 3.24Å; I9-V109 WeakPolarHBondContact CA-O 3.29Å; I10-V109 PolarHBondContact N-O 2.79Å; T95-V109 HydrophobicContact CG2-CG1 3.49Å; T95-V109 VanDerWaalsContact CG2-CG1 3.49Å; V97-V109 HydrophobicContact CG2-CG2 4.47Å; I106-V109 HydrophobicContact CG2-CG2 3.92Å
110M98.5Very high96.7Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-123.7150.2-168.7-55.3-178.6142.900112.5I10 T95 V96 L98 A108 G112 I115 A303 V306 F307I10-M110 HydrophobicContact CB-CE 4.39Å; I10-M110 HydrophobicContact CB-CG 4.23Å; I10-M110 HydrophobicContact CD1-CE 3.38Å; I10-M110 HydrophobicContact CG1-CE 4.42Å; I10-M110 WeakPolarHBondContact O-CA 3.47Å; T95-M110 WeakPolarHBondContact CA-O 3.47Å; V96-M110 PolarHBondContact N-O 3.46Å; V96-M110 PolarHBondContact O-N 2.85Å; L98-M110 HydrophobicContact CD1-CE 4.22Å; L98-M110 HydrophobicContact CD1-SD 4.32Å; A108-M110 HydrophobicContact CB-CE 4.28Å; A108-M110 HydrophobicContact CB-CG 4.31Å; M110-G112 PolarHBondContact O-N 3.17Å; M110-G112 VanDerWaalsContact O-N 3.11Å; M110-I115 HydrophobicContact CB-CD1 4.17Å; M110-I115 HydrophobicContact SD-CD1 4.19Å; M110-A303 WeakPolarHBondContact CE-O 3.25Å; M110-A303 HydrophobicContact SD-CB 3.76Å; M110-V306 HydrophobicContact CE-CB 3.79Å; M110-V306 HydrophobicContact CE-CG1 3.49Å; M110-V306 VanDerWaalsContact CE-CG1 3.49Å; M110-V306 HydrophobicContact SD-CB 4.16Å; M110-V306 HydrophobicContact SD-CG1 4.07Å; M110-F307 HydrophobicContact CE-CB 3.64Å; M110-F307 HydrophobicContact CE-CD2 4.3Å; M110-F307 HydrophobicContact CE-CG 4.48Å
111D97.7Very high96.9Very high5 Ų536.3 Ų36.33%0.02719%0.189CC..EExtended strand (participates in β ladder)trans-58.4114.1165.6-179.2-82.6000110I10 W11 R12 V15 E113 V114I10-D111 PolarHBondContact O-N 2.75Å; I10-D111 VanDerWaalsContact O-N 3.1Å; W11-D111 HydrophobicContact CE3-CB 4.44Å; R12-D111 HydrophobicContact CB-CB 4.2Å; V15-D111 HydrophobicContact CG2-CB 4.18Å; D111-E113 PolarHBondContact OD1-N 3.42Å; D111-E113 VanDerWaalsContact OD1-N 3.08Å; D111-V114 WeakPolarHBondContact OD1-CG2 3.3Å; D111-V114 PolarHBondContact OD1-N 2.9Å
112G97.6Very high97.1Very high0 Ų033.9 Ų33.90%017%0.173CC..Hα-helixtrans-89.9-9.4-178.700000113.4A94 M110 T116A94-G112 VanDerWaalsContact O-CA 3.25Å; A94-G112 WeakPolarHBondContact O-CA 3.47Å; A94-G112 PolarHBondContact O-N 2.95Å; M110-G112 PolarHBondContact O-N 3.17Å; M110-G112 VanDerWaalsContact O-N 3.11Å; G112-T116 WeakPolarHBondContact O-CB 3.38Å; G112-T116 PolarHBondContact O-N 2.88Å; G112-T116 PolarHBondContact O-OG1 2.84Å
113E96.4Very high97.3Very high55 Ų5525.6 Ų25.626%0.25713%0.134SC..Hα-helixtrans-72.4-46.5-179.3-68.7-173.9-144.500110.7R12 D111 T116 A117R12-E113 IonicContact NH1-OE2 3.86Å; D111-E113 PolarHBondContact OD1-N 3.42Å; D111-E113 VanDerWaalsContact OD1-N 3.08Å; E113-T116 PolarHBondContact O-N 3.18Å; E113-A117 WeakPolarHBondContact O-CB 3.31Å; E113-A117 PolarHBondContact O-N 2.82Å
114V97.5Very high97.6Very high8 Ų818.2 Ų18.25%0.04811%0.107CC..Hα-helixtrans-64.7-47.5175.5177.10000110.2R12 V15 E16 D111 T116 A117 M118R12-V114 HydrophobicContact CG-CG2 3.64Å; V15-V114 HydrophobicContact CB-CB 4.4Å; V15-V114 HydrophobicContact CB-CG1 4.33Å; V15-V114 HydrophobicContact CG1-CB 3.88Å; V15-V114 HydrophobicContact CG1-CG1 3.64Å; E16-V114 HydrophobicContact CG-CB 4.45Å; E16-V114 HydrophobicContact CG-CG1 3.86Å; E16-V114 HydrophobicContact CG-CG2 3.7Å; D111-V114 WeakPolarHBondContact OD1-CG2 3.3Å; D111-V114 PolarHBondContact OD1-N 2.9Å; V114-T116 VanDerWaalsContact C-N 3.33Å; V114-T116 PolarHBondContact O-N 3.12Å; V114-A117 PolarHBondContact O-N 3.12Å; V114-M118 HydrophobicContact CG1-CG 4.47Å; V114-M118 HydrophobicContact CG1-SD 4.1Å; V114-M118 WeakPolarHBondContact O-CG 3.34Å; V114-M118 PolarHBondContact O-N 3.24Å
115I98.4Very high98Very high0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-55.2-50.9175.7-70.1172.7000109.9V15 L19 V96 M110 A117 M118 R119 A303 V306V15-I115 HydrophobicContact CG1-CG1 4.01Å; L19-I115 HydrophobicContact CD2-CG1 4.29Å; V96-I115 HydrophobicContact CB-CD1 4.26Å; V96-I115 HydrophobicContact CG2-CD1 4.03Å; V96-I115 HydrophobicContact CG2-CG2 4.27Å; M110-I115 HydrophobicContact CB-CD1 4.17Å; M110-I115 HydrophobicContact SD-CD1 4.19Å; I115-A117 PolarHBondContact O-N 2.81Å; I115-M118 PolarHBondContact O-N 3.24Å; I115-R119 HydrophobicContact CG2-CG 4.37Å; I115-R119 WeakPolarHBondContact O-CB 3.36Å; I115-R119 WeakPolarHBondContact O-CG 3.43Å; I115-R119 PolarHBondContact O-N 3.18Å; I115-A303 HydrophobicContact CD1-CB 4.22Å; I115-V306 HydrophobicContact CD1-CG2 4.45Å; I115-V306 HydrophobicContact CG1-CG2 4.4Å
116T97.8Very high98.1Very high14 Ų1414 Ų149%0.0867%0.073CC..Hα-helixtrans-60.7-43.5179.8-67.20000111.8G112 E113 V114 T120 Q147G112-T116 WeakPolarHBondContact O-CB 3.38Å; G112-T116 PolarHBondContact O-N 2.88Å; G112-T116 PolarHBondContact O-OG1 2.84Å; E113-T116 PolarHBondContact O-N 3.18Å; V114-T116 VanDerWaalsContact C-N 3.33Å; V114-T116 PolarHBondContact O-N 3.12Å; T116-T120 VanDerWaalsContact O-CB 3.24Å; T116-T120 WeakPolarHBondContact O-CB 3.5Å; T116-T120 PolarHBondContact O-N 3.33Å; T116-T120 PolarHBondContact O-OG1 3.4Å; T116-Q147 PolarHBondContact O-NE2 2.92Å
117A97.8Very high98.2Very high13 Ų1310.8 Ų10.811%0.1076%0.056CC..Hα-helixtrans-62-45.7179.300000111.8E113 V114 I115 A121 T146 S150E113-A117 WeakPolarHBondContact O-CB 3.31Å; E113-A117 PolarHBondContact O-N 2.82Å; V114-A117 PolarHBondContact O-N 3.12Å; I115-A117 PolarHBondContact O-N 2.81Å; A117-A121 WeakPolarHBondContact O-CB 3.37Å; A117-A121 PolarHBondContact O-N 2.9Å; A117-T146 HydrophobicContact CB-CG2 3.95Å; A117-S150 WeakPolarHBondContact O-CB 3.43Å; A117-S150 PolarHBondContact O-OG 3.27Å
118M98.6Very high98.3Very high25 Ų258.4 Ų8.412%0.1235%0.046CC..Hα-helixtrans-74.1-50.6-177.1-67.2-170.969.200112.2L19 Y21 L24 V114 I115 T120 A121 A122L19-M118 HydrophobicContact CB-CE 4.34Å; L19-M118 HydrophobicContact CB-SD 3.91Å; L19-M118 HydrophobicContact CD2-CB 4.1Å; L19-M118 HydrophobicContact CD2-CE 4.41Å; L19-M118 HydrophobicContact CD2-CG 4.36Å; L19-M118 HydrophobicContact CD2-SD 3.62Å; L19-M118 HydrophobicContact CG-CE 3.89Å; L19-M118 HydrophobicContact CG-SD 3.64Å; Y21-M118 HydrophobicContact CD1-CE 4.09Å; Y21-M118 HydrophobicContact CD2-CE 4.15Å; Y21-M118 HydrophobicContact CE1-CB 3.93Å; Y21-M118 HydrophobicContact CE1-CE 3.98Å; Y21-M118 HydrophobicContact CE1-CG 4.29Å; Y21-M118 WeakPolarHBondContact CE1-O 3.32Å; Y21-M118 HydrophobicContact CE2-CE 4.04Å; Y21-M118 HydrophobicContact CG-CE 4.17Å; L24-M118 HydrophobicContact CD2-CB 3.89Å; V114-M118 HydrophobicContact CG1-CG 4.47Å; V114-M118 HydrophobicContact CG1-SD 4.1Å; V114-M118 WeakPolarHBondContact O-CG 3.34Å; V114-M118 PolarHBondContact O-N 3.24Å; I115-M118 PolarHBondContact O-N 3.24Å; M118-T120 VanDerWaalsContact C-N 3.32Å; M118-T120 PolarHBondContact O-N 3.07Å; M118-A121 PolarHBondContact O-N 3.32Å; M118-A122 VanDerWaalsContact O-CB 3.31Å; M118-A122 WeakPolarHBondContact O-CB 3.33Å; M118-A122 PolarHBondContact O-N 3.49Å
119R98.7Very high98.4Very high11 Ų1112.8 Ų12.84%0.0427%0.065CC..Hα-helixtrans-61.7-40.2-177.670.594-173.914111112.4L28 I115 A122 V123 E298 D299 S302L28-R119 HydrophobicContact CD1-CB 4.37Å; L28-R119 HydrophobicContact CD2-CB 4.45Å; I115-R119 HydrophobicContact CG2-CG 4.37Å; I115-R119 WeakPolarHBondContact O-CB 3.36Å; I115-R119 WeakPolarHBondContact O-CG 3.43Å; I115-R119 PolarHBondContact O-N 3.18Å; R119-A122 PolarHBondContact O-N 3.22Å; R119-V123 WeakPolarHBondContact O-CG2 3.18Å; R119-V123 PolarHBondContact O-N 3.02Å; R119-E298 WeakPolarHBondContact CD-OE2 3.43Å; R119-E298 IonicContact CZ-OE2 3.91Å; R119-E298 IonicContact NE-OE2 3.85Å; R119-E298 IonicContact NH1-OE2 3.99Å; R119-E298 PolarHBondContact NH1-OE2 3.04Å; R119-D299 IonicContact CZ-OD1 2.69Å; R119-D299 IonicContact NE-OD1 2.99Å; R119-D299 PolarHBondContact NE-OD1 2.87Å; R119-S302 WeakPolarHBondContact CB-OG 3.29Å
120T98.7Very high98.4Very high5 Ų512.1 Ų12.13%0.0316%0.06CC..Hα-helixtrans-63.5-47.1178.1-50.30000110.9T116 M118 A122 V123 S124 Q147 V226T116-T120 VanDerWaalsContact O-CB 3.24Å; T116-T120 WeakPolarHBondContact O-CB 3.5Å; T116-T120 PolarHBondContact O-N 3.33Å; T116-T120 PolarHBondContact O-OG1 3.4Å; M118-T120 VanDerWaalsContact C-N 3.32Å; M118-T120 PolarHBondContact O-N 3.07Å; T120-A122 VanDerWaalsContact C-N 3.35Å; T120-A122 PolarHBondContact O-N 3.48Å; T120-V123 PolarHBondContact O-N 2.78Å; T120-S124 PolarHBondContact O-N 2.86Å; T120-S124 VanDerWaalsContact O-N 3.08Å; T120-S124 PolarHBondContact O-OG 2.76Å; T120-Q147 PolarHBondContact OG1-NE2 3.5Å; T120-V226 HydrophobicContact CG2-CG1 3.35Å
121A98.9Very high98.4Very high0 Ų012.1 Ų12.10%06%0.06CC..Hα-helixtrans-64.2-40.4178.200000112.5A117 M118 S124 A125 S150 H151 V154A117-A121 WeakPolarHBondContact O-CB 3.37Å; A117-A121 PolarHBondContact O-N 2.9Å; M118-A121 PolarHBondContact O-N 3.32Å; A121-S124 PolarHBondContact O-N 3.03Å; A121-A125 WeakPolarHBondContact O-CB 3.12Å; A121-A125 PolarHBondContact O-N 3.09Å; A121-S150 VanDerWaalsContact CB-C 3.49Å; A121-H151 VanDerWaalsContact CA-CE1 3.48Å; A121-H151 WeakPolarHBondContact CA-CE1 3.43Å; A121-V154 HydrophobicContact CB-CG1 3.72Å; A121-V154 WeakPolarHBondContact O-CG1 3.22Å
122A98.9Very high98.4Very high0 Ų013.7 Ų13.70%07%0.067CC..Hα-helixtrans-63.3-44177.700000111.9Y21 L24 V25 L28 M118 R119 T120 A125 I126Y21-A122 HydrophobicContact CD1-CB 4.07Å; Y21-A122 HydrophobicContact CE1-CB 4.17Å; L24-A122 HydrophobicContact CD2-CB 4.24Å; L24-A122 HydrophobicContact CG-CB 4.45Å; V25-A122 HydrophobicContact CG2-CB 3.92Å; L28-A122 HydrophobicContact CD1-CB 3.41Å; L28-A122 VanDerWaalsContact CD1-CB 3.41Å; M118-A122 VanDerWaalsContact O-CB 3.31Å; M118-A122 WeakPolarHBondContact O-CB 3.33Å; M118-A122 PolarHBondContact O-N 3.49Å; R119-A122 PolarHBondContact O-N 3.22Å; T120-A122 VanDerWaalsContact C-N 3.35Å; T120-A122 PolarHBondContact O-N 3.48Å; A122-A125 WeakPolarHBondContact O-CB 3.45Å; A122-A125 PolarHBondContact O-N 2.7Å; A122-A125 VanDerWaalsContact O-N 3.17Å; A122-I126 VanDerWaalsContact O-CG1 3.3Å; A122-I126 WeakPolarHBondContact O-CG1 3.41Å; A122-I126 PolarHBondContact O-N 3.14Å
123V98.9Very high98.3Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-63.9-41.1175.4174.30000111.6L28 L32 R119 T120 A125 I126 S127 L272 F290 E298L28-V123 HydrophobicContact CB-CG2 4.43Å; L28-V123 HydrophobicContact CD1-CG2 4.08Å; L28-V123 HydrophobicContact CD2-CG2 4.24Å; L32-V123 HydrophobicContact CD1-CG1 4.15Å; L32-V123 HydrophobicContact CD1-CG2 4.23Å; R119-V123 WeakPolarHBondContact O-CG2 3.18Å; R119-V123 PolarHBondContact O-N 3.02Å; T120-V123 PolarHBondContact O-N 2.78Å; V123-A125 VanDerWaalsContact C-N 3.31Å; V123-A125 PolarHBondContact O-N 2.84Å; V123-I126 WeakPolarHBondContact O-CB 3.41Å; V123-I126 PolarHBondContact O-N 3.17Å; V123-S127 PolarHBondContact O-N 3.48Å; V123-L272 HydrophobicContact CG1-CD2 4.16Å; V123-F290 HydrophobicContact CG1-CE1 3.84Å; V123-F290 HydrophobicContact CG1-CZ 3.55Å; V123-E298 HydrophobicContact CG2-CG 4.03Å
124S98.9Very high98.1Very high0 Ų018.5 Ų18.50%011%0.109CC..Hα-helixtrans-60.2-40.6171.9-64.90000112.1T120 A121 S127 A128 H151 V226T120-S124 PolarHBondContact O-N 2.86Å; T120-S124 VanDerWaalsContact O-N 3.08Å; T120-S124 PolarHBondContact O-OG 2.76Å; A121-S124 PolarHBondContact O-N 3.03Å; S124-S127 PolarHBondContact O-N 3.08Å; S124-S127 PolarHBondContact O-OG 3.13Å; S124-A128 PolarHBondContact O-N 3.14Å; S124-H151 VanDerWaalsContact CB-NE2 3.25Å; S124-H151 WeakPolarHBondContact CB-NE2 3.28Å; S124-H151 PolarHBondContact OG-NE2 3.36Å; S124-V226 WeakPolarHBondContact OG-CG2 3.5Å
125A98.9Very high97.8Very high0 Ų021.1 Ų21.10%014%0.138CC..Hα-helixtrans-67.3-37.717600000112.3A121 A122 V123 S127 A128 K129 V154 F155 M158 F159A121-A125 WeakPolarHBondContact O-CB 3.12Å; A121-A125 PolarHBondContact O-N 3.09Å; A122-A125 WeakPolarHBondContact O-CB 3.45Å; A122-A125 PolarHBondContact O-N 2.7Å; A122-A125 VanDerWaalsContact O-N 3.17Å; V123-A125 VanDerWaalsContact C-N 3.31Å; V123-A125 PolarHBondContact O-N 2.84Å; A125-S127 VanDerWaalsContact C-N 3.3Å; A125-S127 PolarHBondContact O-N 3.13Å; A125-A128 PolarHBondContact O-N 3.38Å; A125-K129 WeakPolarHBondContact O-CB 3.32Å; A125-K129 PolarHBondContact O-N 3.21Å; A125-V154 HydrophobicContact CB-CG1 3.99Å; A125-V154 HydrophobicContact CB-CG2 4.06Å; A125-F155 HydrophobicContact CB-CD2 4.14Å; A125-F155 HydrophobicContact CB-CE2 3.89Å; A125-F155 HydrophobicContact CB-CZ 4.37Å; A125-M158 HydrophobicContact CB-CE 4.32Å; A125-M158 HydrophobicContact CB-SD 3.63Å; A125-F159 HydrophobicContact CB-CE2 4.12Å; A125-F159 WeakPolarHBondContact O-CZ 3.29Å
126I98.9Very high97.7Very high0 Ų021.8 Ų21.80%014%0.143CC..Hα-helixtrans-59.3-44.3171.1-68.2161.8000110V25 L28 E29 L32 A122 V123 A128 K129 L130 L272 I276V25-I126 HydrophobicContact CG1-CD1 4.19Å; V25-I126 HydrophobicContact CG1-CG1 3.88Å; L28-I126 HydrophobicContact CB-CD1 3.7Å; E29-I126 HydrophobicContact CG-CB 4.49Å; E29-I126 HydrophobicContact CG-CD1 3.6Å; E29-I126 HydrophobicContact CG-CG1 3.73Å; E29-I126 HydrophobicContact CG-CG2 3.9Å; L32-I126 HydrophobicContact CD1-CD1 4.32Å; L32-I126 HydrophobicContact CD1-CG2 4.43Å; A122-I126 VanDerWaalsContact O-CG1 3.3Å; A122-I126 WeakPolarHBondContact O-CG1 3.41Å; A122-I126 PolarHBondContact O-N 3.14Å; V123-I126 WeakPolarHBondContact O-CB 3.41Å; V123-I126 PolarHBondContact O-N 3.17Å; I126-A128 VanDerWaalsContact C-N 3.34Å; I126-A128 PolarHBondContact O-N 3.44Å; I126-K129 WeakPolarHBondContact O-CB 3.39Å; I126-K129 PolarHBondContact O-N 3.46Å; I126-L130 HydrophobicContact CG2-CD1 3.85Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CG 3.43Å; I126-L130 PolarHBondContact O-N 3.05Å; I126-L272 HydrophobicContact CG2-CD2 4.09Å; I126-I276 HydrophobicContact CG2-CD1 4.22Å
127S98.9Very high97.8Very high0 Ų025 Ų250%016%0.157CC..Hα-helixtrans-60.6-42.6176.780.30000112.3V123 S124 A125 L130 L131 H222 F290V123-S127 PolarHBondContact O-N 3.48Å; S124-S127 PolarHBondContact O-N 3.08Å; S124-S127 PolarHBondContact O-OG 3.13Å; A125-S127 VanDerWaalsContact C-N 3.3Å; A125-S127 PolarHBondContact O-N 3.13Å; S127-L130 PolarHBondContact O-N 3.35Å; S127-L131 WeakPolarHBondContact O-CB 3.38Å; S127-L131 WeakPolarHBondContact O-CG 3.3Å; S127-L131 PolarHBondContact O-N 3.26Å; S127-H222 PolarHBondContact OG-NE2 2.6Å; S127-H222 VanDerWaalsContact OG-NE2 3.13Å; S127-F290 VanDerWaalsContact CB-CG 3.43Å; S127-F290 WeakPolarHBondContact OG-CD1 3.34Å
128A98.8Very high97.8Very high0 Ų025.2 Ų25.20%016%0.157CC..Hα-helixtrans-64.3-47175.300000111.8S124 A125 I126 L130 L131 M132 F155 F159 V200 H222S124-A128 PolarHBondContact O-N 3.14Å; A125-A128 PolarHBondContact O-N 3.38Å; I126-A128 VanDerWaalsContact C-N 3.34Å; I126-A128 PolarHBondContact O-N 3.44Å; A128-L130 PolarHBondContact O-N 2.93Å; A128-L130 VanDerWaalsContact O-N 3.17Å; A128-L131 PolarHBondContact O-N 2.59Å; A128-M132 HydrophobicContact CB-SD 4.38Å; A128-M132 VanDerWaalsContact O-CB 3.26Å; A128-M132 WeakPolarHBondContact O-CB 3.37Å; A128-M132 WeakPolarHBondContact O-CG 3.45Å; A128-M132 PolarHBondContact O-N 3.38Å; A128-F155 HydrophobicContact CB-CE1 3.71Å; A128-F155 HydrophobicContact CB-CZ 4.08Å; A128-F159 HydrophobicContact CB-CE2 4.11Å; A128-F159 HydrophobicContact CB-CZ 4.1Å; A128-V200 HydrophobicContact CB-CG1 4.37Å; A128-H222 PolarHBondContact N-NE2 3.46Å
129K98.6Very high97.8Very high92 Ų9224 Ų2440%0.415%0.151SC..Hα-helixtrans-53-38175.5176.2-174.4168.8-166.70111.9E29 A125 I126 M158 F159 R284E29-K129 IonicContact OE1-NZ 2.69Å; E29-K129 PolarHBondContact OE1-NZ 3.43Å; E29-K129 IonicContact OE2-NZ 3.25Å; E29-K129 PolarHBondContact OE2-NZ 2.79Å; A125-K129 WeakPolarHBondContact O-CB 3.32Å; A125-K129 PolarHBondContact O-N 3.21Å; I126-K129 WeakPolarHBondContact O-CB 3.39Å; I126-K129 PolarHBondContact O-N 3.46Å; K129-M158 HydrophobicContact CD-CE 4.43Å; K129-F159 HydrophobicContact CB-CE1 4.09Å; K129-F159 HydrophobicContact CB-CZ 3.99Å; K129-R284 PolarHBondContact O-NH2 2.92Å
130L98.6Very high97.8Very high26 Ų2623.5 Ų23.514%0.13615%0.149CC..Hα-helixtrans-84.9-35.2-177.8-68.2172.3000113.3I126 S127 A128 L272 V275 I276 A282 R284I126-L130 HydrophobicContact CG2-CD1 3.85Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CG 3.43Å; I126-L130 PolarHBondContact O-N 3.05Å; S127-L130 PolarHBondContact O-N 3.35Å; A128-L130 PolarHBondContact O-N 2.93Å; A128-L130 VanDerWaalsContact O-N 3.17Å; L130-L272 HydrophobicContact CD1-CD1 3.79Å; L130-L272 HydrophobicContact CD1-CG 4.23Å; L130-V275 HydrophobicContact CB-CG1 4.29Å; L130-V275 HydrophobicContact CD1-CG1 4.33Å; L130-V275 HydrophobicContact CD2-CG1 4.48Å; L130-I276 HydrophobicContact CD1-CD1 4.31Å; L130-I276 HydrophobicContact CD1-CG1 3.59Å; L130-A282 VanDerWaalsContact O-CB 3.32Å; L130-A282 WeakPolarHBondContact O-CB 3.28Å; L130-R284 PolarHBondContact O-NE 3.05Å; L130-R284 PolarHBondContact O-NH2 3.39Å; L130-R284 VanDerWaalsContact O-NH2 3.12Å
131L98.8Very high97.8Very high0 Ų023.2 Ų23.20%015%0.148CC..Hα-helixtrans-118.1-13.5-162.3-58.3173.9000114.9S127 A128 Y247 L272 A282 F290S127-L131 WeakPolarHBondContact O-CB 3.38Å; S127-L131 WeakPolarHBondContact O-CG 3.3Å; S127-L131 PolarHBondContact O-N 3.26Å; A128-L131 PolarHBondContact O-N 2.59Å; L131-Y247 HydrophobicContact CD1-CD1 4.29Å; L131-Y247 HydrophobicContact CD1-CD2 3.65Å; L131-Y247 HydrophobicContact CD1-CE2 4.12Å; L131-Y247 HydrophobicContact CD1-CG 3.75Å; L131-Y247 HydrophobicContact CD2-CD1 4.26Å; L131-Y247 HydrophobicContact CD2-CD2 4.15Å; L131-Y247 HydrophobicContact CD2-CE1 3.9Å; L131-Y247 HydrophobicContact CD2-CE2 3.79Å; L131-Y247 HydrophobicContact CD2-CG 4.38Å; L131-L272 HydrophobicContact CD1-CD1 4.24Å; L131-A282 HydrophobicContact CD2-CB 3.97Å; L131-F290 HydrophobicContact CD1-CB 4.44Å
132M97.8Very high97.8Very high38 Ų3823.2 Ų23.219%0.18715%0.148CC..SBendtrans-73.3149.8177.680.8-171.4-179.700112A128 A136 F159 V200 H222A128-M132 HydrophobicContact CB-SD 4.38Å; A128-M132 VanDerWaalsContact O-CB 3.26Å; A128-M132 WeakPolarHBondContact O-CB 3.37Å; A128-M132 WeakPolarHBondContact O-CG 3.45Å; A128-M132 PolarHBondContact O-N 3.38Å; M132-A136 HydrophobicContact CG-CB 4.26Å; M132-A136 HydrophobicContact SD-CB 3.95Å; M132-F159 HydrophobicContact CE-CD1 3.66Å; M132-F159 HydrophobicContact CE-CE1 3.8Å; M132-F159 HydrophobicContact CE-CG 4.44Å; M132-F159 HydrophobicContact SD-CD1 4.47Å; M132-F159 HydrophobicContact SD-CE1 4.45Å; M132-V200 HydrophobicContact CB-CG2 3.97Å; M132-V200 HydrophobicContact SD-CG2 4Å; M132-H222 HydrophobicContact CB-CB 4.05Å
133A95.1Very high97.8Very high32 Ų3223.4 Ų23.426%0.26415%0.15SC..PPolyproline II helixtrans-61.6149.4172.700000111.5G135 A136A133-G135 PolarHBondContact O-N 3.14Å; A133-A136 PolarHBondContact O-N 3.32Å
134S91.8Very high97.6Very high124 Ų12424.9 Ų24.987%0.86716%0.159SC*.THydrogen-bonded Turntrans-60.9133.9172.656.10000110.5
135G92Very high97.4Very high63 Ų6327 Ų2765%0.64918%0.18SC*.THydrogen-bonded Turntrans7629.4-179.700000113.8A133 E137A133-G135 PolarHBondContact O-N 3.14Å; G135-E137 WeakPolarHBondContact O-CG 3.14Å; G135-E137 PolarHBondContact O-N 2.69Å
136A97.4Very high97.2Very high14 Ų1431.7 Ų31.712%0.11621%0.209CC..  trans-58.5126.3167.300000110.6M132 A133 F161 D199 V200M132-A136 HydrophobicContact CG-CB 4.26Å; M132-A136 HydrophobicContact SD-CB 3.95Å; A133-A136 PolarHBondContact O-N 3.32Å; A136-F161 HydrophobicContact CB-CE1 4.3Å; A136-D199 HydrophobicContact CB-CB 3.63Å; A136-V200 HydrophobicContact CB-CG2 4.13Å
137E97.9Very high97.1Very high81 Ų8133.6 Ų33.638%0.37922%0.218SC..  trans-120.2-22.3-172.8-72.9178.9175.600112.9G135 F161 K162 E163 D199G135-E137 WeakPolarHBondContact O-CG 3.14Å; G135-E137 PolarHBondContact O-N 2.69Å; E137-F161 CarbonylContact O-C 3.49Å; E137-F161 WeakPolarHBondContact O-CA 3.31Å; E137-F161 WeakPolarHBondContact O-CB 3.18Å; E137-K162 HydrophobicContact CB-CB 4.34Å; E137-K162 HydrophobicContact CB-CD 4.24Å; E137-K162 HydrophobicContact CB-CG 4.19Å; E137-K162 HydrophobicContact CG-CD 4.01Å; E137-K162 HydrophobicContact CG-CG 4.16Å; E137-K162 PolarHBondContact O-N 3.45Å; E137-K162 WeakPolarHBondContact OE1-CE 3.41Å; E137-K162 IonicContact OE1-NZ 2.63Å; E137-K162 PolarHBondContact OE1-NZ 2.92Å; E137-K162 WeakPolarHBondContact OE2-CD 3.35Å; E137-K162 WeakPolarHBondContact OE2-CE 3.31Å; E137-K162 IonicContact OE2-NZ 2.79Å; E137-K162 PolarHBondContact OE2-NZ 3.29Å; E137-E163 PolarHBondContact O-N 2.76Å; E137-D199 PolarHBondContact N-OD2 2.82Å
138V98.7Very high97Very high18 Ų1833.6 Ų33.611%0.10922%0.218CC..EExtended strand (participates in β ladder)trans-121.5120.3-174.5-176.70000111.5E163 A198 D199 V200V138-E163 WeakPolarHBondContact CA-O 3.39Å; V138-E163 HydrophobicContact CG2-CB 4.4Å; V138-A198 HydrophobicContact CG1-CB 4.12Å; V138-D199 PolarHBondContact N-OD2 3.07Å; V138-D199 PolarHBondContact O-N 3.46Å; V138-V200 PolarHBondContact O-N 2.62Å; V138-V200 VanDerWaalsContact O-N 3.09Å
139L98.8Very high97Very high0 Ų037.1 Ų37.10%024%0.237CC..EExtended strand (participates in β ladder)trans-101.4132.6171.2173.762.5000110.3I141 F155 F161 E163 V164 R165 V200 V202L139-I141 HydrophobicContact CD1-CG1 4.41Å; L139-I141 HydrophobicContact CD2-CD1 4.23Å; L139-I141 HydrophobicContact CD2-CG1 4.35Å; L139-I141 HydrophobicContact CG-CG1 4.18Å; L139-F155 HydrophobicContact CD1-CD1 4.01Å; L139-F155 HydrophobicContact CD1-CE1 4.36Å; L139-F155 HydrophobicContact CD2-CB 3.81Å; L139-F155 HydrophobicContact CD2-CD1 4.12Å; L139-F155 HydrophobicContact CD2-CG 4.21Å; L139-F161 HydrophobicContact CB-CB 4.45Å; L139-F161 HydrophobicContact CB-CD1 3.93Å; L139-F161 HydrophobicContact CB-CD2 3.8Å; L139-F161 HydrophobicContact CB-CE1 4.09Å; L139-F161 HydrophobicContact CB-CE2 3.96Å; L139-F161 HydrophobicContact CB-CG 3.79Å; L139-F161 HydrophobicContact CB-CZ 4.11Å; L139-F161 HydrophobicContact CD2-CD2 4.02Å; L139-F161 HydrophobicContact CD2-CE2 3.92Å; L139-F161 HydrophobicContact CG-CE2 4.39Å; L139-E163 PolarHBondContact N-O 2.86Å; L139-V164 HydrophobicContact CB-CG1 4.36Å; L139-V164 HydrophobicContact CB-CG2 4.36Å; L139-V164 HydrophobicContact CD2-CG1 4Å; L139-V164 HydrophobicContact CD2-CG2 4.42Å; L139-V164 HydrophobicContact CG-CG1 4.2Å; L139-V164 CarbonylContact O-C 3.54Å; L139-V164 WeakPolarHBondContact O-CA 3.41Å; L139-R165 PolarHBondContact O-N 2.97Å; L139-V200 CarbonylContact C-O 3.54Å; L139-V200 WeakPolarHBondContact CA-O 3.17Å; L139-V200 HydrophobicContact CD1-CB 4.06Å; L139-V200 HydrophobicContact CD1-CG1 3.94Å; L139-V202 HydrophobicContact CD1-CG2 4.07Å
140A98.9Very high97Very high0 Ų033.2 Ų33.20%022%0.221CC..EExtended strand (participates in β ladder)trans-119.3130.8169.900000111.2R165 A194 V195 A198 V200 I201 V202A140-R165 CarbonylContact C-O 3.59Å; A140-R165 WeakPolarHBondContact CA-O 3.17Å; A140-R165 HydrophobicContact CB-CB 4.45Å; A140-A194 WeakPolarHBondContact CB-O 3.44Å; A140-V195 HydrophobicContact CB-CG1 4.22Å; A140-A198 HydrophobicContact CB-CB 3.69Å; A140-V200 PolarHBondContact N-O 3.26Å; A140-I201 HydrophobicContact CB-CG1 4.37Å; A140-I201 CarbonylContact O-C 3.35Å; A140-I201 VanDerWaalsContact O-CA 3.31Å; A140-I201 WeakPolarHBondContact O-CA 3.45Å; A140-V202 PolarHBondContact O-N 3.21Å
141I98.9Very high97Very high0 Ų032 Ų320%021%0.214CC..EExtended strand (participates in β ladder)trans-115.1117.5177.2-56.6174.8000109.1L139 A148 R165 V166 W167 V202 V204L139-I141 HydrophobicContact CD1-CG1 4.41Å; L139-I141 HydrophobicContact CD2-CD1 4.23Å; L139-I141 HydrophobicContact CD2-CG1 4.35Å; L139-I141 HydrophobicContact CG-CG1 4.18Å; I141-A148 HydrophobicContact CG2-CB 3.85Å; I141-R165 PolarHBondContact N-O 2.8Å; I141-V166 HydrophobicContact CB-CG2 4.32Å; I141-V166 VanDerWaalsContact O-CA 3.3Å; I141-V166 WeakPolarHBondContact O-CA 3.4Å; I141-W167 PolarHBondContact O-N 2.94Å; I141-V202 HydrophobicContact CG1-CB 4.34Å; I141-V204 HydrophobicContact CG2-CG2 3.91Å
142L98.8Very high97Very high0 Ų033.6 Ų33.60%022%0.221CC..EExtended strand (participates in β ladder)trans-95.8103.9172.4-55-170.8000108.9W167 A191 A194 V195 V202 T203 V204 T205 L212L142-W167 HydrophobicContact CB-CE3 4.32Å; L142-W167 HydrophobicContact CD2-CB 4Å; L142-W167 HydrophobicContact CD2-CE3 3.96Å; L142-A191 HydrophobicContact CD1-CB 4.34Å; L142-A191 HydrophobicContact CD2-CB 4.27Å; L142-A194 HydrophobicContact CD2-CB 3.92Å; L142-V195 HydrophobicContact CD1-CG1 3.94Å; L142-V195 HydrophobicContact CD2-CG1 3.92Å; L142-V195 HydrophobicContact CG-CG1 4.12Å; L142-V202 PolarHBondContact N-O 3.32Å; L142-T203 HydrophobicContact CB-CG2 4.44Å; L142-T203 HydrophobicContact CD1-CG2 4.19Å; L142-V204 WeakPolarHBondContact O-CG2 3.48Å; L142-V204 PolarHBondContact O-N 2.67Å; L142-T205 HydrophobicContact CB-CG2 4.26Å; L142-T205 WeakPolarHBondContact O-CG2 3.17Å; L142-L212 HydrophobicContact CD1-CB 4.12Å; L142-L212 HydrophobicContact CD1-CD1 4.3Å
143G97.7Very high97Very high4 Ų434.5 Ų34.54%0.04123%0.228CC..  trans126.9158-173.500000111.8A148 V166 W167G143-A148 VanDerWaalsContact O-CB 3.3Å; G143-A148 WeakPolarHBondContact O-CB 3.45Å; G143-V166 WeakPolarHBondContact O-CG2 3.48Å; G143-W167 PolarHBondContact N-O 2.88Å
144T96.4Very high97.1Very high30 Ų3033 Ų3318%0.18422%0.216CC..  trans-140.522.1-176.655.30000111.8V166 N173 V174 F177T144-V166 HydrophobicContact CG2-CG2 3.79Å; T144-N173 WeakPolarHBondContact OG1-CB 3.47Å; T144-V174 HydrophobicContact CG2-CG2 4.19Å; T144-F177 HydrophobicContact CG2-CB 3.88Å; T144-F177 HydrophobicContact CG2-CD2 4.43Å; T144-F177 HydrophobicContact CG2-CG 4.17Å
145G94Very high97.5Very high44 Ų4427 Ų2745%0.45418%0.175SC..SBendtrans-89.1-167.4179.200000112.9Q147 A148 L149G145-Q147 VanDerWaalsContact C-N 3.27Å; G145-Q147 PolarHBondContact O-N 3.07Å; G145-A148 WeakPolarHBondContact O-CB 3.3Å; G145-A148 PolarHBondContact O-N 2.79Å; G145-L149 PolarHBondContact O-N 2.92Å
146T94Very high97.7Very high99 Ų9926.8 Ų26.861%0.60716%0.161SC*.Hα-helixtrans-53.1-43.2178.2-51.10000112.6A117 A148 L149 S150A117-T146 HydrophobicContact CB-CG2 3.95Å; T146-A148 PolarHBondContact O-N 3.43Å; T146-L149 PolarHBondContact O-N 3.15Å; T146-S150 PolarHBondContact O-N 2.84Å; T146-S150 PolarHBondContact O-OG 2.82Å
147Q96.9Very high97.6Very high40 Ų4031.4 Ų31.419%0.18718%0.179CC..Hα-helixtrans-66.1-36.2177.8-71.5-64.6-13.600112.5T116 T120 G145 L149 S150 H151 V204T116-Q147 PolarHBondContact O-NE2 2.92Å; T120-Q147 PolarHBondContact OG1-NE2 3.5Å; G145-Q147 VanDerWaalsContact C-N 3.27Å; G145-Q147 PolarHBondContact O-N 3.07Å; Q147-L149 VanDerWaalsContact C-N 3.27Å; Q147-L149 PolarHBondContact O-N 2.97Å; Q147-S150 WeakPolarHBondContact CA-OG 3.14Å; Q147-S150 PolarHBondContact O-N 3.31Å; Q147-S150 PolarHBondContact O-OG 3.01Å; Q147-S150 VanDerWaalsContact O-OG 3.09Å; Q147-S150 PolarHBondContact OE1-OG 2.86Å; Q147-H151 VanDerWaalsContact O-CB 3.31Å; Q147-H151 WeakPolarHBondContact O-CB 3.37Å; Q147-H151 VanDerWaalsContact O-CG 3.32Å; Q147-H151 PolarHBondContact O-N 2.96Å; Q147-H151 PolarHBondContact O-ND1 2.88Å; Q147-H151 PolarHBondContact OE1-CE1 3.49Å; Q147-H151 VanDerWaalsContact OE1-CE1 3.28Å; Q147-V204 HydrophobicContact CB-CB 3.87Å; Q147-V204 HydrophobicContact CB-CG1 3.73Å
148A98Very high97.6Very high0 Ų030.6 Ų30.60%018%0.176CC..Hα-helixtrans-62.3-37.9175.200000111.6I141 G143 G145 T146 Y152 F177 V204I141-A148 HydrophobicContact CG2-CB 3.85Å; G143-A148 VanDerWaalsContact O-CB 3.3Å; G143-A148 WeakPolarHBondContact O-CB 3.45Å; G145-A148 WeakPolarHBondContact O-CB 3.3Å; G145-A148 PolarHBondContact O-N 2.79Å; T146-A148 PolarHBondContact O-N 3.43Å; A148-Y152 VanDerWaalsContact O-CB 3.29Å; A148-Y152 WeakPolarHBondContact O-CB 3.45Å; A148-Y152 PolarHBondContact O-N 3.26Å; A148-F177 HydrophobicContact CB-CD2 4.34Å; A148-F177 HydrophobicContact CB-CE2 3.63Å; A148-F177 HydrophobicContact CB-CZ 4.16Å; A148-V204 HydrophobicContact CB-CG2 3.83Å
149L97.6Very high97.6Very high75 Ų7531 Ų3139%0.39318%0.177SC..Hα-helixtrans-70.6-45179-17862.9000111.7G145 T146 Q147 Y152 T153 F177 V181G145-L149 PolarHBondContact O-N 2.92Å; T146-L149 PolarHBondContact O-N 3.15Å; Q147-L149 VanDerWaalsContact C-N 3.27Å; Q147-L149 PolarHBondContact O-N 2.97Å; L149-Y152 PolarHBondContact O-N 3.37Å; L149-T153 WeakPolarHBondContact O-CB 3.49Å; L149-T153 PolarHBondContact O-N 2.86Å; L149-T153 PolarHBondContact O-OG1 3.08Å; L149-F177 HydrophobicContact CB-CE2 4.22Å; L149-V181 HydrophobicContact CD1-CG1 3.75Å
150S98.2Very high97.4Very high9 Ų936.8 Ų36.86%0.06322%0.217CC..Hα-helixtrans-64.7-41.1177.658.70000111.7Y21 A117 A121 T146 Q147 T153 V154Y21-S150 WeakPolarHBondContact OH-CB 3.3Å; Y21-S150 PolarHBondContact OH-O 3.17Å; A117-S150 WeakPolarHBondContact O-CB 3.43Å; A117-S150 PolarHBondContact O-OG 3.27Å; A121-S150 VanDerWaalsContact CB-C 3.49Å; T146-S150 PolarHBondContact O-N 2.84Å; T146-S150 PolarHBondContact O-OG 2.82Å; Q147-S150 WeakPolarHBondContact CA-OG 3.14Å; Q147-S150 PolarHBondContact O-N 3.31Å; Q147-S150 PolarHBondContact O-OG 3.01Å; Q147-S150 VanDerWaalsContact O-OG 3.09Å; Q147-S150 PolarHBondContact OE1-OG 2.86Å; S150-T153 PolarHBondContact O-N 2.68Å; S150-V154 PolarHBondContact O-N 2.95Å
151H98.7Very high97.4Very high0 Ų038.2 Ų38.20%022%0.223CC..Hα-helixtrans-63.9-47.4174.7-74.967.9000111.5A121 S124 Q147 T153 V154 F155 V202A121-H151 VanDerWaalsContact CA-CE1 3.48Å; A121-H151 WeakPolarHBondContact CA-CE1 3.43Å; S124-H151 VanDerWaalsContact CB-NE2 3.25Å; S124-H151 WeakPolarHBondContact CB-NE2 3.28Å; S124-H151 PolarHBondContact OG-NE2 3.36Å; Q147-H151 VanDerWaalsContact O-CB 3.31Å; Q147-H151 WeakPolarHBondContact O-CB 3.37Å; Q147-H151 VanDerWaalsContact O-CG 3.32Å; Q147-H151 PolarHBondContact O-N 2.96Å; Q147-H151 PolarHBondContact O-ND1 2.88Å; Q147-H151 PolarHBondContact OE1-CE1 3.49Å; Q147-H151 VanDerWaalsContact OE1-CE1 3.28Å; H151-T153 VanDerWaalsContact C-N 3.25Å; H151-T153 PolarHBondContact O-N 3.43Å; H151-V154 PolarHBondContact O-N 3.37Å; H151-F155 HydrophobicContact CB-CD2 4.32Å; H151-F155 HydrophobicContact CB-CE2 4.46Å; H151-F155 AromaticContact CD2-CE2 3.88Å; H151-F155 WeakPolarHBondContact O-CB 3.28Å; H151-F155 WeakPolarHBondContact O-CD2 3.31Å; H151-F155 PolarHBondContact O-N 2.8Å; H151-V202 HydrophobicContact CB-CG1 4.2Å; H151-V202 VanDerWaalsContact CD2-CG1 3.44Å; H151-V202 WeakPolarHBondContact CD2-CG1 3.34Å
152Y98.6Very high97.3Very high34 Ų3445.6 Ų45.613%0.13326%0.255CS..Hα-helixtrans-53.9-46.3173.8172.9-97.2000111.6A148 L149 T156 V164 F177 V181 V185A148-Y152 VanDerWaalsContact O-CB 3.29Å; A148-Y152 WeakPolarHBondContact O-CB 3.45Å; A148-Y152 PolarHBondContact O-N 3.26Å; L149-Y152 PolarHBondContact O-N 3.37Å; Y152-T156 HydrophobicContact CD2-CG2 3.99Å; Y152-T156 HydrophobicContact CE2-CG2 3.62Å; Y152-T156 WeakPolarHBondContact O-CB 3.46Å; Y152-T156 WeakPolarHBondContact O-CG2 3.5Å; Y152-T156 PolarHBondContact O-N 2.94Å; Y152-T156 PolarHBondContact O-OG1 3.14Å; Y152-V164 HydrophobicContact CD2-CG1 4.03Å; Y152-V164 HydrophobicContact CE2-CG1 4.14Å; Y152-F177 HydrophobicContact CG-CZ 4.42Å; Y152-V181 HydrophobicContact CD1-CB 3.97Å; Y152-V181 HydrophobicContact CD1-CG1 3.58Å; Y152-V181 HydrophobicContact CE1-CB 3.51Å; Y152-V181 HydrophobicContact CE1-CG1 3.7Å; Y152-V181 HydrophobicContact CE1-CG2 4.31Å; Y152-V181 HydrophobicContact CG-CG1 4.17Å; Y152-V185 HydrophobicContact CD2-CG2 3.67Å; Y152-V185 HydrophobicContact CE2-CG2 3.14Å
153T97.9Very high97.3Very high57 Ų5748.3 Ų48.335%0.3527%0.268SS..Hα-helixtrans-60.7-55.2-177.7-54.20000111.5Y21 L149 S150 H151 T156 E157Y21-T153 HydrophobicContact CE2-CG2 3.92Å; L149-T153 WeakPolarHBondContact O-CB 3.49Å; L149-T153 PolarHBondContact O-N 2.86Å; L149-T153 PolarHBondContact O-OG1 3.08Å; S150-T153 PolarHBondContact O-N 2.68Å; H151-T153 VanDerWaalsContact C-N 3.25Å; H151-T153 PolarHBondContact O-N 3.43Å; T153-T156 PolarHBondContact O-N 3.28Å; T153-T156 PolarHBondContact O-OG1 3.25Å; T153-E157 WeakPolarHBondContact O-CB 3.25Å; T153-E157 PolarHBondContact O-N 3.4Å
154V98.6Very high97.3Very high0 Ų048.7 Ų48.70%027%0.27CS..Hα-helixtrans-71.3-35.4-176.670.30000112.7Y21 A121 A125 S150 H151 T156 E157 M158Y21-V154 HydrophobicContact CD1-CB 3.89Å; Y21-V154 HydrophobicContact CD1-CG2 3.51Å; Y21-V154 HydrophobicContact CD2-CB 3.87Å; Y21-V154 HydrophobicContact CD2-CG2 3.99Å; Y21-V154 HydrophobicContact CE1-CB 3.75Å; Y21-V154 HydrophobicContact CE1-CG1 4.41Å; Y21-V154 HydrophobicContact CE1-CG2 3.86Å; Y21-V154 HydrophobicContact CE2-CB 3.73Å; Y21-V154 HydrophobicContact CE2-CG2 4.31Å; Y21-V154 HydrophobicContact CG-CB 3.95Å; Y21-V154 HydrophobicContact CG-CG2 3.58Å; A121-V154 HydrophobicContact CB-CG1 3.72Å; A121-V154 WeakPolarHBondContact O-CG1 3.22Å; A125-V154 HydrophobicContact CB-CG1 3.99Å; A125-V154 HydrophobicContact CB-CG2 4.06Å; S150-V154 PolarHBondContact O-N 2.95Å; H151-V154 PolarHBondContact O-N 3.37Å; V154-T156 VanDerWaalsContact C-N 3.35Å; V154-T156 PolarHBondContact O-N 2.96Å; V154-E157 PolarHBondContact O-N 3.25Å; V154-M158 HydrophobicContact CG2-CG 4.09Å; V154-M158 HydrophobicContact CG2-SD 3.61Å; V154-M158 WeakPolarHBondContact O-CB 3.48Å; V154-M158 WeakPolarHBondContact O-CG 3.44Å; V154-M158 PolarHBondContact O-N 2.72Å
155F98.4Very high97.4Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-68.1-36.2179-84.3-111.7000111.7A125 A128 L139 H151 F159 F161 V200 V202A125-F155 HydrophobicContact CB-CD2 4.14Å; A125-F155 HydrophobicContact CB-CE2 3.89Å; A125-F155 HydrophobicContact CB-CZ 4.37Å; A128-F155 HydrophobicContact CB-CE1 3.71Å; A128-F155 HydrophobicContact CB-CZ 4.08Å; L139-F155 HydrophobicContact CD1-CD1 4.01Å; L139-F155 HydrophobicContact CD1-CE1 4.36Å; L139-F155 HydrophobicContact CD2-CB 3.81Å; L139-F155 HydrophobicContact CD2-CD1 4.12Å; L139-F155 HydrophobicContact CD2-CG 4.21Å; H151-F155 HydrophobicContact CB-CD2 4.32Å; H151-F155 HydrophobicContact CB-CE2 4.46Å; H151-F155 AromaticContact CD2-CE2 3.88Å; H151-F155 WeakPolarHBondContact O-CB 3.28Å; H151-F155 WeakPolarHBondContact O-CD2 3.31Å; H151-F155 PolarHBondContact O-N 2.8Å; F155-F159 HydrophobicContact CB-CD2 4.26Å; F155-F159 AromaticContact CD1-CD2 3.9Å; F155-F159 HydrophobicContact CD1-CD2 3.9Å; F155-F159 AromaticContact CD1-CE2 3.96Å; F155-F159 HydrophobicContact CD1-CE2 3.96Å; F155-F159 HydrophobicContact CE1-CE2 4.24Å; F155-F159 HydrophobicContact CG-CD2 4.24Å; F155-F159 HydrophobicContact CG-CE2 4.33Å; F155-F159 WeakPolarHBondContact O-CA 3.46Å; F155-F159 WeakPolarHBondContact O-CB 3.37Å; F155-F159 WeakPolarHBondContact O-CD2 3.38Å; F155-F159 PolarHBondContact O-N 3.3Å; F155-F161 HydrophobicContact CB-CE2 4.19Å; F155-F161 AromaticContact CD1-CE2 3.99Å; F155-F161 HydrophobicContact CD1-CE2 3.99Å; F155-F161 HydrophobicContact CD1-CZ 4.21Å; F155-V200 HydrophobicContact CE1-CG1 3.82Å; F155-V202 HydrophobicContact CE1-CG2 4.21Å; F155-V202 HydrophobicContact CE2-CG2 4.35Å; F155-V202 HydrophobicContact CZ-CG2 3.95Å
156T96.6Very high97.7Very high58 Ų5846.6 Ų46.636%0.35625%0.245SC..Hα-helixtrans-80.1-20.3175.655.50000113.4Y152 T153 V154 V164Y152-T156 HydrophobicContact CD2-CG2 3.99Å; Y152-T156 HydrophobicContact CE2-CG2 3.62Å; Y152-T156 WeakPolarHBondContact O-CB 3.46Å; Y152-T156 WeakPolarHBondContact O-CG2 3.5Å; Y152-T156 PolarHBondContact O-N 2.94Å; Y152-T156 PolarHBondContact O-OG1 3.14Å; T153-T156 PolarHBondContact O-N 3.28Å; T153-T156 PolarHBondContact O-OG1 3.25Å; V154-T156 VanDerWaalsContact C-N 3.35Å; V154-T156 PolarHBondContact O-N 2.96Å; T156-V164 HydrophobicContact CG2-CG2 4.35Å
157E96.8Very high97.9Very high110 Ų11043.8 Ų43.851%0.51422%0.223SC..Hα-helixtrans-75.8-39.3169.2-173.5178.2155.300111.9T153 V154T153-E157 WeakPolarHBondContact O-CB 3.25Å; T153-E157 PolarHBondContact O-N 3.4Å; V154-E157 PolarHBondContact O-N 3.25Å
158M97.8Very high97.9Very high64 Ų6442.5 Ų42.532%0.31522%0.219SC..Hα-helixtrans-92-26.4-174-69.5-176.963.200114.6V25 A125 K129 V154V25-M158 HydrophobicContact CG1-CE 4.08Å; V25-M158 HydrophobicContact CG1-SD 4.49Å; V25-M158 HydrophobicContact CG2-SD 3.89Å; A125-M158 HydrophobicContact CB-CE 4.32Å; A125-M158 HydrophobicContact CB-SD 3.63Å; K129-M158 HydrophobicContact CD-CE 4.43Å; V154-M158 HydrophobicContact CG2-CG 4.09Å; V154-M158 HydrophobicContact CG2-SD 3.61Å; V154-M158 WeakPolarHBondContact O-CB 3.48Å; V154-M158 WeakPolarHBondContact O-CG 3.44Å; V154-M158 PolarHBondContact O-N 2.72Å
159F97.5Very high97.6Very high28 Ų2853 Ų5312%0.12326%0.258CS..  trans-132153.2-172.8-47.6-67000111.7A125 A128 K129 M132 F155 F161A125-F159 HydrophobicContact CB-CE2 4.12Å; A125-F159 WeakPolarHBondContact O-CZ 3.29Å; A128-F159 HydrophobicContact CB-CE2 4.11Å; A128-F159 HydrophobicContact CB-CZ 4.1Å; K129-F159 HydrophobicContact CB-CE1 4.09Å; K129-F159 HydrophobicContact CB-CZ 3.99Å; M132-F159 HydrophobicContact CE-CD1 3.66Å; M132-F159 HydrophobicContact CE-CE1 3.8Å; M132-F159 HydrophobicContact CE-CG 4.44Å; M132-F159 HydrophobicContact SD-CD1 4.47Å; M132-F159 HydrophobicContact SD-CE1 4.45Å; F155-F159 HydrophobicContact CB-CD2 4.26Å; F155-F159 AromaticContact CD1-CD2 3.9Å; F155-F159 HydrophobicContact CD1-CD2 3.9Å; F155-F159 AromaticContact CD1-CE2 3.96Å; F155-F159 HydrophobicContact CD1-CE2 3.96Å; F155-F159 HydrophobicContact CE1-CE2 4.24Å; F155-F159 HydrophobicContact CG-CD2 4.24Å; F155-F159 HydrophobicContact CG-CE2 4.33Å; F155-F159 WeakPolarHBondContact O-CA 3.46Å; F155-F159 WeakPolarHBondContact O-CB 3.37Å; F155-F159 WeakPolarHBondContact O-CD2 3.38Å; F155-F159 PolarHBondContact O-N 3.3Å; F159-F161 HydrophobicContact CB-CD2 4.06Å; F159-F161 HydrophobicContact CB-CE2 3.54Å; F159-F161 HydrophobicContact CB-CZ 3.94Å; F159-F161 AromaticContact CD2-CE2 3.92Å; F159-F161 HydrophobicContact CD2-CE2 3.92Å; F159-F161 HydrophobicContact CD2-CZ 4.16Å; F159-F161 HydrophobicContact CG-CE2 4.1Å; F159-F161 HydrophobicContact CG-CZ 4.25Å
160S95.6Very high97.4Very high120 Ų12051.1 Ų51.184%0.83925%0.25SC*.  trans-107.880178.6-56.40000110.9
161F97.4Very high97.2Very high30 Ų3057.6 Ų57.613%0.13228%0.277CS..  trans-75.7139.9172.6-62.8-72.3000110.9A136 E137 L139 F155 F159 V164 V200A136-F161 HydrophobicContact CB-CE1 4.3Å; E137-F161 CarbonylContact O-C 3.49Å; E137-F161 WeakPolarHBondContact O-CA 3.31Å; E137-F161 WeakPolarHBondContact O-CB 3.18Å; L139-F161 HydrophobicContact CB-CB 4.45Å; L139-F161 HydrophobicContact CB-CD1 3.93Å; L139-F161 HydrophobicContact CB-CD2 3.8Å; L139-F161 HydrophobicContact CB-CE1 4.09Å; L139-F161 HydrophobicContact CB-CE2 3.96Å; L139-F161 HydrophobicContact CB-CG 3.79Å; L139-F161 HydrophobicContact CB-CZ 4.11Å; L139-F161 HydrophobicContact CD2-CD2 4.02Å; L139-F161 HydrophobicContact CD2-CE2 3.92Å; L139-F161 HydrophobicContact CG-CE2 4.39Å; F155-F161 HydrophobicContact CB-CE2 4.19Å; F155-F161 AromaticContact CD1-CE2 3.99Å; F155-F161 HydrophobicContact CD1-CE2 3.99Å; F155-F161 HydrophobicContact CD1-CZ 4.21Å; F159-F161 HydrophobicContact CB-CD2 4.06Å; F159-F161 HydrophobicContact CB-CE2 3.54Å; F159-F161 HydrophobicContact CB-CZ 3.94Å; F159-F161 AromaticContact CD2-CE2 3.92Å; F159-F161 HydrophobicContact CD2-CE2 3.92Å; F159-F161 HydrophobicContact CD2-CZ 4.16Å; F159-F161 HydrophobicContact CG-CE2 4.1Å; F159-F161 HydrophobicContact CG-CZ 4.25Å; F161-V164 HydrophobicContact CB-CG2 4.19Å; F161-V200 HydrophobicContact CE1-CB 4.24Å; F161-V200 HydrophobicContact CE1-CG2 3.91Å; F161-V200 HydrophobicContact CZ-CB 4.26Å; F161-V200 HydrophobicContact CZ-CG2 4.07Å
162K97.7Very high97.1Very high155 Ų15562.8 Ų62.867%0.67430%0.301SS*.SBendtrans-75.4-29.2171.5-65.6-172.3-173.1162.90112.1E137E137-K162 HydrophobicContact CB-CB 4.34Å; E137-K162 HydrophobicContact CB-CD 4.24Å; E137-K162 HydrophobicContact CB-CG 4.19Å; E137-K162 HydrophobicContact CG-CD 4.01Å; E137-K162 HydrophobicContact CG-CG 4.16Å; E137-K162 PolarHBondContact O-N 3.45Å; E137-K162 WeakPolarHBondContact OE1-CE 3.41Å; E137-K162 IonicContact OE1-NZ 2.63Å; E137-K162 PolarHBondContact OE1-NZ 2.92Å; E137-K162 WeakPolarHBondContact OE2-CD 3.35Å; E137-K162 WeakPolarHBondContact OE2-CE 3.31Å; E137-K162 IonicContact OE2-NZ 2.79Å; E137-K162 PolarHBondContact OE2-NZ 3.29Å
163E98.4Very high96.9Very high57 Ų5763.7 Ų63.727%0.26631%0.308SS..EExtended strand (participates in β ladder)trans-141.6135178.9-167.8-175.9171.500110.4E137 V138 L139 R165 K186E137-E163 PolarHBondContact O-N 2.76Å; V138-E163 WeakPolarHBondContact CA-O 3.39Å; V138-E163 HydrophobicContact CG2-CB 4.4Å; L139-E163 PolarHBondContact N-O 2.86Å; E163-R165 HydrophobicContact CG-CG 4.15Å; E163-R165 IonicContact OE1-CZ 3.67Å; E163-R165 IonicContact OE1-NE 2.84Å; E163-R165 PolarHBondContact OE1-NE 3.49Å; E163-R165 IonicContact OE1-NH2 3.65Å; E163-R165 IonicContact OE2-CZ 3.4Å; E163-R165 IonicContact OE2-NE 3.24Å; E163-R165 PolarHBondContact OE2-NE 2.75Å; E163-R165 IonicContact OE2-NH2 2.73Å; E163-R165 PolarHBondContact OE2-NH2 3.43Å; E163-K186 VanDerWaalsContact OE1-CD 3.27Å; E163-K186 WeakPolarHBondContact OE1-CD 3.49Å; E163-K186 IonicContact OE1-NZ 2.76Å
164V98.6Very high96.8Very high12 Ų1261.5 Ų61.57%0.07330%0.295CS..EExtended strand (participates in β ladder)trans-118.2128.4169.5-174.30000108.7L139 Y152 T156 F161 V185 K186L139-V164 HydrophobicContact CB-CG1 4.36Å; L139-V164 HydrophobicContact CB-CG2 4.36Å; L139-V164 HydrophobicContact CD2-CG1 4Å; L139-V164 HydrophobicContact CD2-CG2 4.42Å; L139-V164 HydrophobicContact CG-CG1 4.2Å; L139-V164 CarbonylContact O-C 3.54Å; L139-V164 WeakPolarHBondContact O-CA 3.41Å; Y152-V164 HydrophobicContact CD2-CG1 4.03Å; Y152-V164 HydrophobicContact CE2-CG1 4.14Å; T156-V164 HydrophobicContact CG2-CG2 4.35Å; F161-V164 HydrophobicContact CB-CG2 4.19Å; V164-V185 HydrophobicContact CB-CG2 4.13Å; V164-V185 HydrophobicContact CG1-CG1 4.15Å; V164-V185 HydrophobicContact CG1-CG2 3.91Å; V164-V185 WeakPolarHBondContact O-CA 3.31Å; V164-K186 PolarHBondContact O-N 3.03Å
165R98.8Very high96.7Very high31 Ų3165.3 Ų65.312%0.11731%0.312CS..EExtended strand (participates in β ladder)trans-116.9146.3-178.7-60.3172.3-173.8159.97.7110.1L139 A140 I141 E163 K186 A194 R196L139-R165 PolarHBondContact O-N 2.97Å; A140-R165 CarbonylContact C-O 3.59Å; A140-R165 WeakPolarHBondContact CA-O 3.17Å; A140-R165 HydrophobicContact CB-CB 4.45Å; I141-R165 PolarHBondContact N-O 2.8Å; E163-R165 HydrophobicContact CG-CG 4.15Å; E163-R165 IonicContact OE1-CZ 3.67Å; E163-R165 IonicContact OE1-NE 2.84Å; E163-R165 PolarHBondContact OE1-NE 3.49Å; E163-R165 IonicContact OE1-NH2 3.65Å; E163-R165 IonicContact OE2-CZ 3.4Å; E163-R165 IonicContact OE2-NE 3.24Å; E163-R165 PolarHBondContact OE2-NE 2.75Å; E163-R165 IonicContact OE2-NH2 2.73Å; E163-R165 PolarHBondContact OE2-NH2 3.43Å; R165-K186 CarbonylContact C-O 3.57Å; R165-K186 VanDerWaalsContact CA-O 3.32Å; R165-K186 WeakPolarHBondContact CA-O 3.42Å; R165-K186 HydrophobicContact CG-CB 4.43Å; R165-A194 WeakPolarHBondContact CD-O 3.33Å; R165-A194 PolarHBondContact NH1-O 2.97Å; R165-R196 PolarHBondContact NH1-O 3.04Å
166V98.7Very high96.6Very high0 Ų071.8 Ų71.80%034%0.337CS..EExtended strand (participates in β ladder)trans-136.4142.9175.371.10000111.1I141 G143 T144 V174 F177 V178 V185 K186 C188I141-V166 HydrophobicContact CB-CG2 4.32Å; I141-V166 VanDerWaalsContact O-CA 3.3Å; I141-V166 WeakPolarHBondContact O-CA 3.4Å; G143-V166 WeakPolarHBondContact O-CG2 3.48Å; T144-V166 HydrophobicContact CG2-CG2 3.79Å; V166-V174 HydrophobicContact CG1-CG1 4.07Å; V166-F177 HydrophobicContact CB-CD1 4.28Å; V166-F177 HydrophobicContact CB-CE1 4.38Å; V166-F177 HydrophobicContact CG1-CD1 4.02Å; V166-F177 HydrophobicContact CG2-CD1 3.96Å; V166-F177 HydrophobicContact CG2-CE1 4.1Å; V166-F177 HydrophobicContact CG2-CG 4.43Å; V166-V178 HydrophobicContact CG1-CG2 4.04Å; V166-V185 HydrophobicContact CB-CG1 3.7Å; V166-V185 HydrophobicContact CG1-CG1 3.49Å; V166-V185 VanDerWaalsContact CG1-CG1 3.49Å; V166-K186 PolarHBondContact N-O 3.37Å; V166-C188 PolarHBondContact O-N 3.45Å
167W98.6Very high96.6Very high39 Ų3969.4 Ų69.415%0.14832%0.322CS..EExtended strand (participates in β ladder)trans-136.9148.6171.517283.2000110.8I141 L142 G143 C188 S190 A191 A194 V211I141-W167 PolarHBondContact O-N 2.94Å; L142-W167 HydrophobicContact CB-CE3 4.32Å; L142-W167 HydrophobicContact CD2-CB 4Å; L142-W167 HydrophobicContact CD2-CE3 3.96Å; G143-W167 PolarHBondContact N-O 2.88Å; W167-C188 HydrophobicContact CB-CB 4.46Å; W167-S190 VanDerWaalsContact CD1-CA 3.44Å; W167-A191 HydrophobicContact CD2-CB 3.82Å; W167-A191 HydrophobicContact CE3-CB 3.72Å; W167-A191 HydrophobicContact CG-CB 4.49Å; W167-A191 HydrophobicContact CH2-CB 4Å; W167-A191 HydrophobicContact CZ2-CB 4.14Å; W167-A191 HydrophobicContact CZ3-CB 3.81Å; W167-A194 HydrophobicContact CB-CB 3.89Å; W167-V211 HydrophobicContact CZ3-CB 4.39Å
168S96.9Very high96.6Very high14 Ų1465.6 Ų65.610%0.09831%0.306CS..  trans-146.9163.6159.3790000109.4T170 V174S168-T170 PolarHBondContact O-N 2.9Å; S168-T170 PolarHBondContact OG-N 2.88Å; S168-T170 PolarHBondContact OG-O 2.99Å; S168-V174 VanDerWaalsContact N-CG2 3.32Å; S168-V174 WeakPolarHBondContact OG-CG2 3.45Å
169R93.1Very high96.5Very high221 Ų22170.3 Ų70.383%0.83432%0.32SS*.SBendtrans-57-22.2175.6-175.6174.861.3-169.1-4.5114
170T93.2Very high96.4Very high35 Ų3572.6 Ų72.622%0.21534%0.34CS..  trans-116.1110.1-175.3-59.40000109.5S168 E172 N173 V174S168-T170 PolarHBondContact O-N 2.9Å; S168-T170 PolarHBondContact OG-N 2.88Å; S168-T170 PolarHBondContact OG-O 2.99Å; T170-E172 VanDerWaalsContact C-N 3.26Å; T170-E172 HydrophobicContact CG2-CB 4.44Å; T170-E172 WeakPolarHBondContact CG2-OE2 3.3Å; T170-E172 PolarHBondContact O-N 3.19Å; T170-N173 WeakPolarHBondContact O-CB 3.29Å; T170-N173 PolarHBondContact O-N 2.74Å; T170-V174 PolarHBondContact O-N 2.83Å
171K94.3Very high96.3Very high144 Ų14468 Ų6863%0.62631%0.306SS*.Hα-helixtrans-55.5-40.2-174.8-174.9-178.5175.5-173.10112.5N173 V174 E175K171-N173 PolarHBondContact O-N 3.25Å; K171-V174 WeakPolarHBondContact O-CB 3.45Å; K171-V174 PolarHBondContact O-N 3.18Å; K171-E175 VanDerWaalsContact CE-OE1 3.29Å; K171-E175 WeakPolarHBondContact CE-OE1 3.47Å; K171-E175 PolarHBondContact O-N 2.83Å
172E95.1Very high96Very high110 Ų11069.9 Ų69.951%0.51434%0.335SS..Hα-helixtrans-63.1-30.1-179.9-59.271.8-155.400112T170 R176T170-E172 VanDerWaalsContact C-N 3.26Å; T170-E172 HydrophobicContact CG2-CB 4.44Å; T170-E172 WeakPolarHBondContact CG2-OE2 3.3Å; T170-E172 PolarHBondContact O-N 3.19Å; E172-R176 WeakPolarHBondContact O-CB 3.35Å; E172-R176 PolarHBondContact O-N 3.22Å
173N94.8Very high94.8Very high53 Ų5365 Ų6528%0.28333%0.328SS..Hα-helixtrans-74.4-35.6175.4-66.6-17.4000111.8T144 T170 K171 R176 F177T144-N173 WeakPolarHBondContact OG1-CB 3.47Å; T170-N173 WeakPolarHBondContact O-CB 3.29Å; T170-N173 PolarHBondContact O-N 2.74Å; K171-N173 PolarHBondContact O-N 3.25Å; N173-R176 PolarHBondContact O-N 3.34Å; N173-R176 PolarHBondContact OD1-NH1 3.33Å; N173-F177 WeakPolarHBondContact O-CB 3.4Å; N173-F177 PolarHBondContact O-N 2.87Å
174V96.8Very high94.2Very high11 Ų1164.7 Ų64.77%0.06734%0.341CS..Hα-helixtrans-60.6-50.2172.31740000109.9T144 V166 S168 T170 K171 R176 F177 V178T144-V174 HydrophobicContact CG2-CG2 4.19Å; V166-V174 HydrophobicContact CG1-CG1 4.07Å; S168-V174 VanDerWaalsContact N-CG2 3.32Å; S168-V174 WeakPolarHBondContact OG-CG2 3.45Å; T170-V174 PolarHBondContact O-N 2.83Å; K171-V174 WeakPolarHBondContact O-CB 3.45Å; K171-V174 PolarHBondContact O-N 3.18Å; V174-R176 VanDerWaalsContact C-N 3.32Å; V174-R176 PolarHBondContact O-N 2.81Å; V174-F177 WeakPolarHBondContact O-CB 3.38Å; V174-F177 PolarHBondContact O-N 3.17Å; V174-F177 VanDerWaalsContact O-N 3.16Å; V174-V178 HydrophobicContact CG1-CG2 4.4Å; V174-V178 WeakPolarHBondContact O-CG2 3.47Å; V174-V178 PolarHBondContact O-N 2.96Å
175E95.5Very high94Very high79 Ų7964.5 Ų64.537%0.36934%0.339SS..Hα-helixtrans-61.5-40.1179-66.2175-175.400112.4K171 R179K171-E175 VanDerWaalsContact CE-OE1 3.29Å; K171-E175 WeakPolarHBondContact CE-OE1 3.47Å; K171-E175 PolarHBondContact O-N 2.83Å; E175-R179 WeakPolarHBondContact O-CG 3.28Å; E175-R179 PolarHBondContact O-N 3.32Å; E175-R179 VanDerWaalsContact O-N 3.08Å; E175-R179 IonicContact OE2-NH1 3.21Å
176R95.6Very high94Very high137 Ų13767.9 Ų67.952%0.51736%0.355SS..Hα-helixtrans-63.6-43.7174.7-170.7-175.6-58.3103.22.9111.5E172 N173 V174 R179 S180E172-R176 WeakPolarHBondContact O-CB 3.35Å; E172-R176 PolarHBondContact O-N 3.22Å; N173-R176 PolarHBondContact O-N 3.34Å; N173-R176 PolarHBondContact OD1-NH1 3.33Å; V174-R176 VanDerWaalsContact C-N 3.32Å; V174-R176 PolarHBondContact O-N 2.81Å; R176-R179 PolarHBondContact O-N 3.04Å; R176-S180 WeakPolarHBondContact O-CB 3.46Å; R176-S180 PolarHBondContact O-N 3.33Å; R176-S180 PolarHBondContact O-OG 2.97Å
177F97.3Very high93.9Very high7 Ų769.6 Ų69.63%0.03137%0.373CS..Hα-helixtrans-60.9-51.9178.2-173.7-87.1000111T144 A148 L149 Y152 V166 N173 V174 R179 S180 V181T144-F177 HydrophobicContact CG2-CB 3.88Å; T144-F177 HydrophobicContact CG2-CD2 4.43Å; T144-F177 HydrophobicContact CG2-CG 4.17Å; A148-F177 HydrophobicContact CB-CD2 4.34Å; A148-F177 HydrophobicContact CB-CE2 3.63Å; A148-F177 HydrophobicContact CB-CZ 4.16Å; L149-F177 HydrophobicContact CB-CE2 4.22Å; Y152-F177 HydrophobicContact CG-CZ 4.42Å; V166-F177 HydrophobicContact CB-CD1 4.28Å; V166-F177 HydrophobicContact CB-CE1 4.38Å; V166-F177 HydrophobicContact CG1-CD1 4.02Å; V166-F177 HydrophobicContact CG2-CD1 3.96Å; V166-F177 HydrophobicContact CG2-CE1 4.1Å; V166-F177 HydrophobicContact CG2-CG 4.43Å; N173-F177 WeakPolarHBondContact O-CB 3.4Å; N173-F177 PolarHBondContact O-N 2.87Å; V174-F177 WeakPolarHBondContact O-CB 3.38Å; V174-F177 PolarHBondContact O-N 3.17Å; V174-F177 VanDerWaalsContact O-N 3.16Å; F177-R179 VanDerWaalsContact C-N 3.28Å; F177-R179 PolarHBondContact O-N 3.38Å; F177-S180 WeakPolarHBondContact CA-OG 3.24Å; F177-S180 PolarHBondContact O-N 2.93Å; F177-S180 PolarHBondContact O-OG 3.45Å; F177-V181 HydrophobicContact CD1-CG1 4.43Å; F177-V181 HydrophobicContact CD1-CG2 4.47Å; F177-V181 HydrophobicContact CE1-CG1 4.02Å; F177-V181 HydrophobicContact CE1-CG2 4.37Å; F177-V181 HydrophobicContact CZ-CG1 4.13Å; F177-V181 WeakPolarHBondContact O-CG2 3.46Å; F177-V181 PolarHBondContact O-N 3.39Å; F177-V181 VanDerWaalsContact O-N 3.14Å
178V96.8Very high93.9Very high31 Ų3168.1 Ų68.119%0.18837%0.368CS..Hα-helixtrans-55.6-42.9178.3172.10000111.4V166 V174 V181 G183V166-V178 HydrophobicContact CG1-CG2 4.04Å; V174-V178 HydrophobicContact CG1-CG2 4.4Å; V174-V178 WeakPolarHBondContact O-CG2 3.47Å; V174-V178 PolarHBondContact O-N 2.96Å; V178-V181 WeakPolarHBondContact O-CG2 3.23Å; V178-G183 PolarHBondContact O-N 2.83Å
179R95.6Very high93.9Very high163 Ų16370.7 Ų70.762%0.61540%0.397SS*.Hα-helixtrans-64.3-43.3174.2-74-171.3-64.5-930112.6E175 R176 F177 V181 G182E175-R179 WeakPolarHBondContact O-CG 3.28Å; E175-R179 PolarHBondContact O-N 3.32Å; E175-R179 VanDerWaalsContact O-N 3.08Å; E175-R179 IonicContact OE2-NH1 3.21Å; R176-R179 PolarHBondContact O-N 3.04Å; F177-R179 VanDerWaalsContact C-N 3.28Å; F177-R179 PolarHBondContact O-N 3.38Å; R179-V181 PolarHBondContact O-N 3.18Å; R179-G182 PolarHBondContact O-N 3.36Å
180S95.3Very high94.2Very high76 Ų7662.5 Ų62.553%0.53137%0.374SS..Hα-helixtrans-64.9-26.2-176.969.50000113.9R176 F177R176-S180 WeakPolarHBondContact O-CB 3.46Å; R176-S180 PolarHBondContact O-N 3.33Å; R176-S180 PolarHBondContact O-OG 2.97Å; F177-S180 WeakPolarHBondContact CA-OG 3.24Å; F177-S180 PolarHBondContact O-N 2.93Å; F177-S180 PolarHBondContact O-OG 3.45Å
181V94.7Very high94.4Very high22 Ų2261.2 Ų61.213%0.13337%0.366CS..THydrogen-bonded Turntrans-98.710.4179.1-57.10000113.3L149 Y152 F177 V178 R179 V185L149-V181 HydrophobicContact CD1-CG1 3.75Å; Y152-V181 HydrophobicContact CD1-CB 3.97Å; Y152-V181 HydrophobicContact CD1-CG1 3.58Å; Y152-V181 HydrophobicContact CE1-CB 3.51Å; Y152-V181 HydrophobicContact CE1-CG1 3.7Å; Y152-V181 HydrophobicContact CE1-CG2 4.31Å; Y152-V181 HydrophobicContact CG-CG1 4.17Å; F177-V181 HydrophobicContact CD1-CG1 4.43Å; F177-V181 HydrophobicContact CD1-CG2 4.47Å; F177-V181 HydrophobicContact CE1-CG1 4.02Å; F177-V181 HydrophobicContact CE1-CG2 4.37Å; F177-V181 HydrophobicContact CZ-CG1 4.13Å; F177-V181 WeakPolarHBondContact O-CG2 3.46Å; F177-V181 PolarHBondContact O-N 3.39Å; F177-V181 VanDerWaalsContact O-N 3.14Å; V178-V181 WeakPolarHBondContact O-CG2 3.23Å; R179-V181 PolarHBondContact O-N 3.18Å; V181-V185 HydrophobicContact CG2-CB 4.14Å; V181-V185 HydrophobicContact CG2-CG2 3.65Å
182G89.9Confident94.6Very high71 Ų7157.4 Ų57.473%0.73235%0.351SS*.THydrogen-bonded Turntrans76.619.6175.300000115.6R179R179-G182 PolarHBondContact O-N 3.36Å
183G72.4Confident94.8Very high51 Ų5156.1 Ų56.153%0.52634%0.344SS..THydrogen-bonded Turntrans84.52.8172.500000116.5V178 V185V178-G183 PolarHBondContact O-N 2.83Å; G183-V185 PolarHBondContact O-N 3.17Å; G183-V185 VanDerWaalsContact O-N 3.09Å
184G85.4Confident95Very high52 Ų5253.6 Ų53.654%0.53633%0.331SS..  trans-73.111.2176.400000115.5
185V95.8Very high95.1Very high8 Ų853 Ų535%0.04833%0.328CS..SBendtrans-133134.3-173.2-179.40000110.5Y152 V164 V166 V181 G183Y152-V185 HydrophobicContact CD2-CG2 3.67Å; Y152-V185 HydrophobicContact CE2-CG2 3.14Å; V164-V185 HydrophobicContact CB-CG2 4.13Å; V164-V185 HydrophobicContact CG1-CG1 4.15Å; V164-V185 HydrophobicContact CG1-CG2 3.91Å; V164-V185 WeakPolarHBondContact O-CA 3.31Å; V166-V185 HydrophobicContact CB-CG1 3.7Å; V166-V185 HydrophobicContact CG1-CG1 3.49Å; V166-V185 VanDerWaalsContact CG1-CG1 3.49Å; V181-V185 HydrophobicContact CG2-CB 4.14Å; V181-V185 HydrophobicContact CG2-CG2 3.65Å; G183-V185 PolarHBondContact O-N 3.17Å; G183-V185 VanDerWaalsContact O-N 3.09Å
186K97.6Very high95.2Very high102 Ų10255.3 Ų55.344%0.44333%0.333SS..EExtended strand (participates in β ladder)trans-84.9118.5174.2-176.8-177.2176.3-174.10110.7E163 V164 R165 V166E163-K186 VanDerWaalsContact OE1-CD 3.27Å; E163-K186 WeakPolarHBondContact OE1-CD 3.49Å; E163-K186 IonicContact OE1-NZ 2.76Å; V164-K186 PolarHBondContact O-N 3.03Å; R165-K186 CarbonylContact C-O 3.57Å; R165-K186 VanDerWaalsContact CA-O 3.32Å; R165-K186 WeakPolarHBondContact CA-O 3.42Å; R165-K186 HydrophobicContact CG-CB 4.43Å; V166-K186 PolarHBondContact N-O 3.37Å
187G97.8Very high95.4Very high36 Ų3650.6 Ų50.637%0.37133%0.327SS..EExtended strand (participates in β ladder)trans-77.1124.4169.800000111.6
188C98.2Very high95.4Very high8 Ų850.3 Ų50.35%0.05433%0.326CS..PPolyproline II helixtrans-100152.3178.4-69.70000111.9V166 W167 E193 A194V166-C188 PolarHBondContact O-N 3.45Å; W167-C188 HydrophobicContact CB-CB 4.46Å; C188-E193 HydrophobicContact CB-CB 4.24Å; C188-E193 HydrophobicContact CB-CG 4.2Å; C188-A194 HydrophobicContact CB-CB 3.9Å
189G97.3Very high95.5Very high68 Ų6849.7 Ų49.770%0.70132%0.322SS*.SBendtrans-81.2-21.4179.500000114.2E193G189-E193 PolarHBondContact N-OE2 2.78Å
190S98.4Very high95.7Very high49 Ų4941.9 Ų41.934%0.34329%0.292SS..SBendtrans-141.1159.5177.1680000112.3W167 E192 E193 A194W167-S190 VanDerWaalsContact CD1-CA 3.44Å; S190-E192 VanDerWaalsContact C-N 3.29Å; S190-E192 PolarHBondContact O-N 3.05Å; S190-E193 PolarHBondContact O-N 2.85Å; S190-E193 VanDerWaalsContact OG-CB 3.29Å; S190-E193 WeakPolarHBondContact OG-CB 3.4Å; S190-E193 PolarHBondContact OG-N 2.74Å; S190-A194 PolarHBondContact O-N 3.07Å
191A98.4Very high95.9Very high7 Ų738.3 Ų38.36%0.05827%0.267CS..Hα-helixtrans-60.9-41.3173.700000111.1L142 W167 A194 V195 W216L142-A191 HydrophobicContact CD1-CB 4.34Å; L142-A191 HydrophobicContact CD2-CB 4.27Å; W167-A191 HydrophobicContact CD2-CB 3.82Å; W167-A191 HydrophobicContact CE3-CB 3.72Å; W167-A191 HydrophobicContact CG-CB 4.49Å; W167-A191 HydrophobicContact CH2-CB 4Å; W167-A191 HydrophobicContact CZ2-CB 4.14Å; W167-A191 HydrophobicContact CZ3-CB 3.81Å; A191-A194 WeakPolarHBondContact O-CB 3.32Å; A191-A194 PolarHBondContact O-N 2.67Å; A191-V195 WeakPolarHBondContact O-CG2 3.14Å; A191-V195 PolarHBondContact O-N 3.49Å; A191-V195 VanDerWaalsContact O-N 3.12Å; A191-W216 HydrophobicContact CB-CZ3 3.89Å
192E98.6Very high96.1Very high65 Ų6537.2 Ų37.230%0.30426%0.261SS..Hα-helixtrans-58.7-48.7176.1-179.7170.4-179.500112.1S190 A194 V195 R196 W216S190-E192 VanDerWaalsContact C-N 3.29Å; S190-E192 PolarHBondContact O-N 3.05Å; E192-A194 VanDerWaalsContact C-N 3.26Å; E192-A194 PolarHBondContact O-N 2.73Å; E192-V195 PolarHBondContact O-N 3.37Å; E192-R196 HydrophobicContact CG-CG 4.09Å; E192-R196 WeakPolarHBondContact O-CB 3.19Å; E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 3.49Å; E192-R196 IonicContact OE1-CZ 3.15Å; E192-R196 IonicContact OE1-NE 2.78Å; E192-R196 PolarHBondContact OE1-NE 3.08Å; E192-R196 IonicContact OE1-NH2 2.69Å; E192-R196 PolarHBondContact OE1-NH2 2.94Å; E192-W216 HydrophobicContact CB-CD2 3.7Å; E192-W216 HydrophobicContact CB-CE3 3.91Å; E192-W216 HydrophobicContact CB-CG 4.13Å; E192-W216 HydrophobicContact CB-CH2 4.19Å; E192-W216 HydrophobicContact CB-CZ2 4Å; E192-W216 HydrophobicContact CB-CZ3 4.14Å; E192-W216 VanDerWaalsContact CD-CD1 3.49Å; E192-W216 VanDerWaalsContact CD-NE1 3.27Å; E192-W216 HydrophobicContact CG-CB 4.37Å; E192-W216 HydrophobicContact CG-CD2 3.86Å; E192-W216 HydrophobicContact CG-CG 3.76Å; E192-W216 PolarHBondContact OE2-NE1 3.44Å
193E98.6Very high96.5Very high82 Ų8233.9 Ų33.938%0.38323%0.226SC..Hα-helixtrans-58.1-40.5177.3-173.9-160.3155.500111.6C188 G189 S190C188-E193 HydrophobicContact CB-CB 4.24Å; C188-E193 HydrophobicContact CB-CG 4.2Å; G189-E193 PolarHBondContact N-OE2 2.78Å; S190-E193 PolarHBondContact O-N 2.85Å; S190-E193 VanDerWaalsContact OG-CB 3.29Å; S190-E193 WeakPolarHBondContact OG-CB 3.4Å; S190-E193 PolarHBondContact OG-N 2.74Å
194A98.7Very high97.7Very high0 Ų032.2 Ų32.20%021%0.206CC..Hα-helixtrans-64-45.2179.500000112A140 L142 R165 W167 C188 S190 A191 E192A140-A194 WeakPolarHBondContact CB-O 3.44Å; L142-A194 HydrophobicContact CD2-CB 3.92Å; R165-A194 WeakPolarHBondContact CD-O 3.33Å; R165-A194 PolarHBondContact NH1-O 2.97Å; W167-A194 HydrophobicContact CB-CB 3.89Å; C188-A194 HydrophobicContact CB-CB 3.9Å; S190-A194 PolarHBondContact O-N 3.07Å; A191-A194 WeakPolarHBondContact O-CB 3.32Å; A191-A194 PolarHBondContact O-N 2.67Å; E192-A194 VanDerWaalsContact C-N 3.26Å; E192-A194 PolarHBondContact O-N 2.73Å
195V98.8Very high98.1Very high0 Ų031.1 Ų31.10%019%0.188CC..Hα-helixtrans-89.5-18.3-170.9-56.40000114.8A140 L142 A191 E192 G197 A198 I201 L212 W216A140-V195 HydrophobicContact CB-CG1 4.22Å; L142-V195 HydrophobicContact CD1-CG1 3.94Å; L142-V195 HydrophobicContact CD2-CG1 3.92Å; L142-V195 HydrophobicContact CG-CG1 4.12Å; A191-V195 WeakPolarHBondContact O-CG2 3.14Å; A191-V195 PolarHBondContact O-N 3.49Å; A191-V195 VanDerWaalsContact O-N 3.12Å; E192-V195 PolarHBondContact O-N 3.37Å; V195-G197 PolarHBondContact O-N 2.85Å; V195-G197 VanDerWaalsContact O-N 3.08Å; V195-A198 VanDerWaalsContact O-CB 3.31Å; V195-A198 WeakPolarHBondContact O-CB 3.17Å; V195-A198 PolarHBondContact O-N 2.84Å; V195-I201 HydrophobicContact CB-CD1 3.85Å; V195-I201 HydrophobicContact CB-CG1 4.29Å; V195-I201 HydrophobicContact CG1-CD1 4.1Å; V195-I201 HydrophobicContact CG1-CG1 4.2Å; V195-I201 HydrophobicContact CG1-CG2 3.86Å; V195-L212 HydrophobicContact CB-CD1 4.12Å; V195-L212 HydrophobicContact CG1-CD1 3.81Å; V195-L212 HydrophobicContact CG2-CD1 3.83Å; V195-W216 HydrophobicContact CG2-CB 3.6Å; V195-W216 HydrophobicContact CG2-CE3 4.16Å
196R98.6Very high97.8Very high126 Ų12633.9 Ų33.948%0.47522%0.219SC..THydrogen-bonded Turntrans-61.4117.6179.5-85-164.7178.4-73.4-1.5111.1R165 E192 A198R165-R196 PolarHBondContact NH1-O 3.04Å; E192-R196 HydrophobicContact CG-CG 4.09Å; E192-R196 WeakPolarHBondContact O-CB 3.19Å; E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 3.49Å; E192-R196 IonicContact OE1-CZ 3.15Å; E192-R196 IonicContact OE1-NE 2.78Å; E192-R196 PolarHBondContact OE1-NE 3.08Å; E192-R196 IonicContact OE1-NH2 2.69Å; E192-R196 PolarHBondContact OE1-NH2 2.94Å; R196-A198 VanDerWaalsContact C-N 3.25Å; R196-A198 PolarHBondContact O-N 3.37Å
197G98.4Very high97.6Very high39 Ų3930.2 Ų30.240%0.40221%0.206SC..THydrogen-bonded Turntrans766.4-177.200000114.8V195V195-G197 PolarHBondContact O-N 2.85Å; V195-G197 VanDerWaalsContact O-N 3.08Å
198A98.8Very high97.3Very high0 Ų030.2 Ų30.20%020%0.199CC..  trans-70.1137.3172.200000110.7V138 A140 V195 R196 I201 K218V138-A198 HydrophobicContact CG1-CB 4.12Å; A140-A198 HydrophobicContact CB-CB 3.69Å; V195-A198 VanDerWaalsContact O-CB 3.31Å; V195-A198 WeakPolarHBondContact O-CB 3.17Å; V195-A198 PolarHBondContact O-N 2.84Å; R196-A198 VanDerWaalsContact C-N 3.25Å; R196-A198 PolarHBondContact O-N 3.37Å; A198-I201 HydrophobicContact CB-CD1 4.45Å; A198-I201 HydrophobicContact CB-CG1 3.86Å; A198-K218 WeakPolarHBondContact O-CB 3.39Å
199D98.8Very high97.2Very high18 Ų1835.9 Ų35.910%0.09623%0.225CC..SBendtrans-86.2-34.5176.1-59.5-61.8000111.2A136 E137 V138 K218 A221 H222A136-D199 HydrophobicContact CB-CB 3.63Å; E137-D199 PolarHBondContact N-OD2 2.82Å; V138-D199 PolarHBondContact N-OD2 3.07Å; V138-D199 PolarHBondContact O-N 3.46Å; D199-K218 IonicContact OD1-NZ 2.61Å; D199-K218 PolarHBondContact OD1-NZ 3.01Å; D199-A221 CarbonylContact O-C 3.5Å; D199-A221 VanDerWaalsContact O-CA 3.29Å; D199-A221 WeakPolarHBondContact O-CA 3.08Å; D199-H222 PolarHBondContact O-N 3Å
200V98.9Very high97.3Very high0 Ų034.4 Ų34.40%020%0.203CC..EExtended strand (participates in β ladder)trans-128.2131177.7-1740000109.2A128 M132 A136 V138 L139 A140 F155 F161 H222A128-V200 HydrophobicContact CB-CG1 4.37Å; M132-V200 HydrophobicContact CB-CG2 3.97Å; M132-V200 HydrophobicContact SD-CG2 4Å; A136-V200 HydrophobicContact CB-CG2 4.13Å; V138-V200 PolarHBondContact O-N 2.62Å; V138-V200 VanDerWaalsContact O-N 3.09Å; L139-V200 CarbonylContact C-O 3.54Å; L139-V200 WeakPolarHBondContact CA-O 3.17Å; L139-V200 HydrophobicContact CD1-CB 4.06Å; L139-V200 HydrophobicContact CD1-CG1 3.94Å; A140-V200 PolarHBondContact N-O 3.26Å; F155-V200 HydrophobicContact CE1-CG1 3.82Å; F161-V200 HydrophobicContact CE1-CB 4.24Å; F161-V200 HydrophobicContact CE1-CG2 3.91Å; F161-V200 HydrophobicContact CZ-CB 4.26Å; F161-V200 HydrophobicContact CZ-CG2 4.07Å; V200-H222 CarbonylContact C-O 3.59Å; V200-H222 VanDerWaalsContact CA-O 3.3Å; V200-H222 WeakPolarHBondContact CA-O 3.28Å
201I98.9Very high97.2Very high0 Ų033 Ų330%019%0.192CC..EExtended strand (participates in β ladder)trans-124.7132.3-179.3-57.5163.2000108.7A140 V195 A198 T203 L212 V217 H222 V223 A224A140-I201 HydrophobicContact CB-CG1 4.37Å; A140-I201 CarbonylContact O-C 3.35Å; A140-I201 VanDerWaalsContact O-CA 3.31Å; A140-I201 WeakPolarHBondContact O-CA 3.45Å; V195-I201 HydrophobicContact CB-CD1 3.85Å; V195-I201 HydrophobicContact CB-CG1 4.29Å; V195-I201 HydrophobicContact CG1-CD1 4.1Å; V195-I201 HydrophobicContact CG1-CG1 4.2Å; V195-I201 HydrophobicContact CG1-CG2 3.86Å; A198-I201 HydrophobicContact CB-CD1 4.45Å; A198-I201 HydrophobicContact CB-CG1 3.86Å; I201-T203 HydrophobicContact CG2-CG2 4.37Å; I201-L212 HydrophobicContact CD1-CD2 4.46Å; I201-L212 HydrophobicContact CG2-CD2 3.81Å; I201-V217 HydrophobicContact CD1-CG1 4.16Å; I201-V217 HydrophobicContact CD1-CG2 4.16Å; I201-H222 PolarHBondContact N-O 3.39Å; I201-V223 HydrophobicContact CB-CG1 4.44Å; I201-V223 HydrophobicContact CB-CG2 4.26Å; I201-V223 HydrophobicContact CD1-CG2 4.26Å; I201-V223 CarbonylContact O-C 2.8Å; I201-V223 VanDerWaalsContact O-CA 3.29Å; I201-V223 WeakPolarHBondContact O-CA 3.41Å; I201-A224 PolarHBondContact O-N 3.21Å
202V98.9Very high97.3Very high0 Ų032.7 Ų32.70%019%0.189CC..EExtended strand (participates in β ladder)trans-115.2124.9174.4175.10000108.7L139 A140 I141 L142 H151 F155 V204 A224L139-V202 HydrophobicContact CD1-CG2 4.07Å; A140-V202 PolarHBondContact O-N 3.21Å; I141-V202 HydrophobicContact CG1-CB 4.34Å; L142-V202 PolarHBondContact N-O 3.32Å; H151-V202 HydrophobicContact CB-CG1 4.2Å; H151-V202 VanDerWaalsContact CD2-CG1 3.44Å; H151-V202 WeakPolarHBondContact CD2-CG1 3.34Å; F155-V202 HydrophobicContact CE1-CG2 4.21Å; F155-V202 HydrophobicContact CE2-CG2 4.35Å; F155-V202 HydrophobicContact CZ-CG2 3.95Å; V202-V204 HydrophobicContact CG1-CG1 3.67Å; V202-V204 HydrophobicContact CG1-CG2 4.19Å; V202-A224 WeakPolarHBondContact CA-O 3.5Å; V202-A224 HydrophobicContact CG2-CB 4.35Å
203T98.8Very high97.3Very high0 Ų032.2 Ų32.20%019%0.187CC..EExtended strand (participates in β ladder)trans-107.9115.3172.173.40000110.4L142 I201 L212 V223 A224 A225 V226 G227 E235 L236L142-T203 HydrophobicContact CB-CG2 4.44Å; L142-T203 HydrophobicContact CD1-CG2 4.19Å; I201-T203 HydrophobicContact CG2-CG2 4.37Å; T203-L212 HydrophobicContact CG2-CB 4.29Å; T203-L212 HydrophobicContact CG2-CD2 3.89Å; T203-V223 HydrophobicContact CG2-CG1 4.5Å; T203-A224 PolarHBondContact N-O 3.34Å; T203-A225 WeakPolarHBondContact OG1-CA 3.31Å; T203-V226 WeakPolarHBondContact O-CB 3.11Å; T203-V226 PolarHBondContact O-N 2.85Å; T203-G227 PolarHBondContact O-N 3.42Å; T203-E235 VanDerWaalsContact CB-OE2 3.28Å; T203-E235 WeakPolarHBondContact CB-OE2 3.11Å; T203-E235 PolarHBondContact OG1-OE2 3.31Å; T203-L236 HydrophobicContact CG2-CD2 4.06Å
204V97.6Very high97.2Very high17 Ų1729 Ų2910%0.10318%0.176CC..  trans-137.544.1-174.5-75.40000109.9I141 L142 Q147 A148 V202 V226I141-V204 HydrophobicContact CG2-CG2 3.91Å; L142-V204 WeakPolarHBondContact O-CG2 3.48Å; L142-V204 PolarHBondContact O-N 2.67Å; Q147-V204 HydrophobicContact CB-CB 3.87Å; Q147-V204 HydrophobicContact CB-CG1 3.73Å; A148-V204 HydrophobicContact CB-CG2 3.83Å; V202-V204 HydrophobicContact CG1-CG1 3.67Å; V202-V204 HydrophobicContact CG1-CG2 4.19Å; V204-V226 HydrophobicContact CG1-CB 3.78Å; V204-V226 HydrophobicContact CG1-CG1 4.21Å; V204-V226 HydrophobicContact CG1-CG2 4.03Å
205T94.5Very high97.2Very high28 Ų2835.5 Ų35.517%0.17221%0.206CC..  trans-96.7163.9-179.884.20000111.9L142 S207 V211 E235L142-T205 HydrophobicContact CB-CG2 4.26Å; L142-T205 WeakPolarHBondContact O-CG2 3.17Å; T205-S207 VanDerWaalsContact C-N 3.28Å; T205-S207 VanDerWaalsContact OG1-CB 3.24Å; T205-S207 WeakPolarHBondContact OG1-CB 3.49Å; T205-S207 PolarHBondContact OG1-N 3.35Å; T205-V211 HydrophobicContact CG2-CG2 4.19Å; T205-E235 VanDerWaalsContact CA-OE1 3.28Å; T205-E235 WeakPolarHBondContact CA-OE1 3.02Å; T205-E235 WeakPolarHBondContact CB-OE1 3.24Å; T205-E235 WeakPolarHBondContact CG2-OE1 3.34Å; T205-E235 PolarHBondContact N-OE1 3.42Å; T205-E235 PolarHBondContact OG1-OE1 3.45Å
206G90.3Very high97.2Very high67 Ų6737.3 Ų37.369%0.69121%0.213SC*.  trans-92.824.216600000113
207S91.6Very high97.2Very high24 Ų2432.3 Ų32.317%0.16820%0.196CC..  trans-68.5149.3178.6-161.60000111T205 E209 V211T205-S207 VanDerWaalsContact C-N 3.28Å; T205-S207 VanDerWaalsContact OG1-CB 3.24Å; T205-S207 WeakPolarHBondContact OG1-CB 3.49Å; T205-S207 PolarHBondContact OG1-N 3.35Å; S207-E209 WeakPolarHBondContact CB-O 3.36Å; S207-E209 PolarHBondContact OG-N 3.24Å; S207-E209 PolarHBondContact OG-O 2.94Å; S207-V211 WeakPolarHBondContact OG-CG1 3.25Å
208T93.3Very high97.2Very high36 Ų3634.8 Ų34.822%0.22120%0.196CC..SBendtrans-105.7-11.4169.660.60000111.7W233 R234T208-W233 HydrophobicContact CG2-CD2 3.67Å; T208-W233 HydrophobicContact CG2-CE3 4.28Å; T208-W233 HydrophobicContact CG2-CG 3.78Å; T208-W233 HydrophobicContact CG2-CZ2 4.13Å; T208-R234 CarbonylContact C-O 3.48Å; T208-R234 PolarHBondContact O-N 3.05Å
209E95.8Very high97.2Very high128 Ų12838.9 Ų38.960%0.59823%0.23SC*.SBendtrans-119.6152.5179-61.6-59.915300110.2S207 V211 R234S207-E209 WeakPolarHBondContact CB-O 3.36Å; S207-E209 PolarHBondContact OG-N 3.24Å; S207-E209 PolarHBondContact OG-O 2.94Å; E209-V211 PolarHBondContact O-N 3.28Å; E209-R234 CarbonylContact C-O 3.51Å; E209-R234 PolarHBondContact N-O 2.92Å
210P97.9Very high97.1Very high37 Ų3738.8 Ų38.824%0.2423%0.233CC..  trans-50.6129.7-179.9-29.136.6000113.7R234 E235 D237P210-R234 HydrophobicContact CG-CB 4.14Å; P210-E235 CarbonylContact C-O 3.44Å; P210-E235 WeakPolarHBondContact CA-O 3.38Å; P210-D237 HydrophobicContact CB-CB 4.06Å; P210-D237 HydrophobicContact CG-CB 4.41Å
211V97.9Very high97.1Very high20 Ų2038.9 Ų38.912%0.12123%0.234CC..  trans-114.3-17.3174.1-66.40000112.1W167 T205 S207 E209 W216 E235W167-V211 HydrophobicContact CZ3-CB 4.39Å; T205-V211 HydrophobicContact CG2-CG2 4.19Å; S207-V211 WeakPolarHBondContact OG-CG1 3.25Å; E209-V211 PolarHBondContact O-N 3.28Å; V211-W216 WeakPolarHBondContact O-CZ3 3.45Å; V211-E235 HydrophobicContact CG2-CB 4.06Å; V211-E235 HydrophobicContact CG2-CG 4.34Å; V211-E235 PolarHBondContact N-O 2.97Å
212L98.7Very high97.1Very high0 Ų038.9 Ų38.90%023%0.234CC..BIsolated β-bridgetrans-116.6120.9174.7-179.256.6000109.4L142 V195 I201 T203 V217 V223 E235 L236 D237 L240L142-L212 HydrophobicContact CD1-CB 4.12Å; L142-L212 HydrophobicContact CD1-CD1 4.3Å; V195-L212 HydrophobicContact CB-CD1 4.12Å; V195-L212 HydrophobicContact CG1-CD1 3.81Å; V195-L212 HydrophobicContact CG2-CD1 3.83Å; I201-L212 HydrophobicContact CD1-CD2 4.46Å; I201-L212 HydrophobicContact CG2-CD2 3.81Å; T203-L212 HydrophobicContact CG2-CB 4.29Å; T203-L212 HydrophobicContact CG2-CD2 3.89Å; L212-V217 HydrophobicContact CD1-CG2 3.82Å; L212-V217 HydrophobicContact CD2-CG2 4.36Å; L212-V217 HydrophobicContact CG-CG2 4.13Å; L212-V223 HydrophobicContact CD2-CG1 3.76Å; L212-V223 HydrophobicContact CD2-CG2 4.24Å; L212-E235 PolarHBondContact N-O 3.11Å; L212-L236 HydrophobicContact CB-CD2 3.79Å; L212-L236 HydrophobicContact CD2-CD2 3.79Å; L212-L236 HydrophobicContact CG-CD2 4.19Å; L212-D237 PolarHBondContact O-N 2.94Å; L212-D237 VanDerWaalsContact O-N 3.15Å; L212-L240 HydrophobicContact CD2-CD2 3.75Å; L212-L240 HydrophobicContact CG-CD2 3.87Å
213H98.8Very high97.1Very high54 Ų5438.9 Ų38.925%0.2523%0.234CC..  trans-108.4134.7179.5-65-91.9000111.2Q215 W216 D237H213-Q215 HydrophobicContact CB-CG 4.12Å; H213-Q215 PolarHBondContact O-N 3.31Å; H213-Q215 VanDerWaalsContact O-N 3.11Å; H213-W216 HydrophobicContact CB-CD2 3.89Å; H213-W216 HydrophobicContact CB-CE3 4.09Å; H213-W216 HydrophobicContact CB-CG 4.41Å; H213-W216 HydrophobicContact CB-CH2 4.45Å; H213-W216 HydrophobicContact CB-CZ2 4.25Å; H213-W216 HydrophobicContact CB-CZ3 4.37Å; H213-W216 AromaticContact CD2-CH2 3.28Å; H213-W216 WeakPolarHBondContact CD2-CH2 3.3Å; H213-W216 AromaticContact CD2-CZ2 3.66Å; H213-W216 AromaticContact CD2-CZ3 3.57Å; H213-W216 WeakPolarHBondContact O-CB 3.47Å; H213-W216 PolarHBondContact O-N 2.76Å; H213-D237 IonicContact CG-OD2 2.86Å; H213-D237 IonicContact ND1-OD2 3.71Å; H213-D237 PolarHBondContact ND1-OD2 3.41Å
214G98.4Very high97.1Very high15 Ų1538.9 Ų38.916%0.15523%0.234CC..G310 helixtrans-56.5-31.6-175.700000114.1W216 V217 D237G214-W216 PolarHBondContact O-N 2.63Å; G214-W216 VanDerWaalsContact O-N 3.14Å; G214-V217 PolarHBondContact O-N 3.38Å; G214-V217 VanDerWaalsContact O-N 3.11Å; G214-D237 PolarHBondContact N-OD1 3.09Å
215Q98.3Very high97.2Very high137 Ų13738 Ų3864%0.6423%0.229SC*.G310 helixtrans-63.7-15.8176.968.4-177.27.100114.8H213H213-Q215 HydrophobicContact CB-CG 4.12Å; H213-Q215 PolarHBondContact O-N 3.31Å; H213-Q215 VanDerWaalsContact O-N 3.11Å
216W98.6Very high97.4Very high38 Ų3837.6 Ų37.614%0.14423%0.226CC..G310 helixtrans-95.4-20.2177.1-52-28.3000112.7A191 E192 V195 V211 H213 G214A191-W216 HydrophobicContact CB-CZ3 3.89Å; E192-W216 HydrophobicContact CB-CD2 3.7Å; E192-W216 HydrophobicContact CB-CE3 3.91Å; E192-W216 HydrophobicContact CB-CG 4.13Å; E192-W216 HydrophobicContact CB-CH2 4.19Å; E192-W216 HydrophobicContact CB-CZ2 4Å; E192-W216 HydrophobicContact CB-CZ3 4.14Å; E192-W216 VanDerWaalsContact CD-CD1 3.49Å; E192-W216 VanDerWaalsContact CD-NE1 3.27Å; E192-W216 HydrophobicContact CG-CB 4.37Å; E192-W216 HydrophobicContact CG-CD2 3.86Å; E192-W216 HydrophobicContact CG-CG 3.76Å; E192-W216 PolarHBondContact OE2-NE1 3.44Å; V195-W216 HydrophobicContact CG2-CB 3.6Å; V195-W216 HydrophobicContact CG2-CE3 4.16Å; V211-W216 WeakPolarHBondContact O-CZ3 3.45Å; H213-W216 HydrophobicContact CB-CD2 3.89Å; H213-W216 HydrophobicContact CB-CE3 4.09Å; H213-W216 HydrophobicContact CB-CG 4.41Å; H213-W216 HydrophobicContact CB-CH2 4.45Å; H213-W216 HydrophobicContact CB-CZ2 4.25Å; H213-W216 HydrophobicContact CB-CZ3 4.37Å; H213-W216 AromaticContact CD2-CH2 3.28Å; H213-W216 WeakPolarHBondContact CD2-CH2 3.3Å; H213-W216 AromaticContact CD2-CZ2 3.66Å; H213-W216 AromaticContact CD2-CZ3 3.57Å; H213-W216 WeakPolarHBondContact O-CB 3.47Å; H213-W216 PolarHBondContact O-N 2.76Å; G214-W216 PolarHBondContact O-N 2.63Å; G214-W216 VanDerWaalsContact O-N 3.14Å
217V98.7Very high97.4Very high20 Ų2034.9 Ų34.912%0.12120%0.198CC..SBendtrans-76.6129.8-171.4179.40000109.7I201 L212 G214 A221 L240 T287I201-V217 HydrophobicContact CD1-CG1 4.16Å; I201-V217 HydrophobicContact CD1-CG2 4.16Å; L212-V217 HydrophobicContact CD1-CG2 3.82Å; L212-V217 HydrophobicContact CD2-CG2 4.36Å; L212-V217 HydrophobicContact CG-CG2 4.13Å; G214-V217 PolarHBondContact O-N 3.38Å; G214-V217 VanDerWaalsContact O-N 3.11Å; V217-A221 HydrophobicContact CG1-CB 3.79Å; V217-L240 HydrophobicContact CB-CD1 4.42Å; V217-L240 HydrophobicContact CG1-CD1 4.35Å; V217-L240 HydrophobicContact CG2-CD1 4.1Å; V217-L240 HydrophobicContact CG2-CD2 4.22Å; V217-T287 HydrophobicContact CG1-CG2 3.93Å
218K98.4Very high97.3Very high91 Ų9133.9 Ų33.940%0.39619%0.192SC..PPolyproline II helixtrans-61.4136.3173.7179.3-173.4174.4-179.30109.3A198 D199 G220 A221A198-K218 WeakPolarHBondContact O-CB 3.39Å; D199-K218 IonicContact OD1-NZ 2.61Å; D199-K218 PolarHBondContact OD1-NZ 3.01Å; K218-G220 PolarHBondContact O-N 2.95Å; K218-A221 HydrophobicContact CB-CB 4.25Å; K218-A221 WeakPolarHBondContact O-CB 3.2Å; K218-A221 PolarHBondContact O-N 3.42Å
219A98.1Very high96.9Very high87 Ų8733.6 Ų33.672%0.71919%0.19SC*.THydrogen-bonded Turntrans-58.3129.4172.100000110.2
220G97.8Very high96.6Very high16 Ų1629.9 Ų29.917%0.16517%0.171CC..THydrogen-bonded Turntrans85.32.2-17600000114.8K218 T287K218-G220 PolarHBondContact O-N 2.95Å; G220-T287 PolarHBondContact N-OG1 3.17Å
221A98.7Very high96.4Very high1 Ų131.1 Ų31.11%0.00818%0.179CC..  trans-69.5148.5176.200000112D199 V217 K218 T287 T288D199-A221 CarbonylContact O-C 3.5Å; D199-A221 VanDerWaalsContact O-CA 3.29Å; D199-A221 WeakPolarHBondContact O-CA 3.08Å; V217-A221 HydrophobicContact CG1-CB 3.79Å; K218-A221 HydrophobicContact CB-CB 4.25Å; K218-A221 WeakPolarHBondContact O-CB 3.2Å; K218-A221 PolarHBondContact O-N 3.42Å; A221-T287 WeakPolarHBondContact O-CA 3.43Å; A221-T288 PolarHBondContact O-N 2.98Å
222H98.9Very high96.2Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-99.7130.8170.5177.461.8000110.8S127 A128 M132 D199 V200 I201 T288S127-H222 PolarHBondContact OG-NE2 2.6Å; S127-H222 VanDerWaalsContact OG-NE2 3.13Å; A128-H222 PolarHBondContact N-NE2 3.46Å; M132-H222 HydrophobicContact CB-CB 4.05Å; D199-H222 PolarHBondContact O-N 3Å; V200-H222 CarbonylContact C-O 3.59Å; V200-H222 VanDerWaalsContact CA-O 3.3Å; V200-H222 WeakPolarHBondContact CA-O 3.28Å; I201-H222 PolarHBondContact N-O 3.39Å; H222-T288 PolarHBondContact ND1-OG1 3.36Å
223V98.9Very high96Very high0 Ų035.9 Ų35.90%020%0.203CC..EExtended strand (participates in β ladder)trans-115.2116.9178-174.60000109.8I201 T203 L212 A225 L236 L240 T288 V289 F290I201-V223 HydrophobicContact CB-CG1 4.44Å; I201-V223 HydrophobicContact CB-CG2 4.26Å; I201-V223 HydrophobicContact CD1-CG2 4.26Å; I201-V223 CarbonylContact O-C 2.8Å; I201-V223 VanDerWaalsContact O-CA 3.29Å; I201-V223 WeakPolarHBondContact O-CA 3.41Å; T203-V223 HydrophobicContact CG2-CG1 4.5Å; L212-V223 HydrophobicContact CD2-CG1 3.76Å; L212-V223 HydrophobicContact CD2-CG2 4.24Å; V223-A225 HydrophobicContact CG1-CB 4.45Å; V223-L236 HydrophobicContact CG1-CD2 4.42Å; V223-L240 HydrophobicContact CG2-CD2 4.43Å; V223-T288 PolarHBondContact N-O 3.23Å; V223-V289 HydrophobicContact CB-CG2 4.09Å; V223-V289 HydrophobicContact CG2-CG2 4.42Å; V223-V289 CarbonylContact O-C 3.33Å; V223-V289 WeakPolarHBondContact O-CA 3.46Å; V223-F290 PolarHBondContact O-N 2.97Å
224A98.9Very high96Very high0 Ų034.5 Ų34.50%020%0.195CC..EExtended strand (participates in β ladder)trans-93.4103.516700000109.4I201 V202 T203I201-A224 PolarHBondContact O-N 3.21Å; V202-A224 WeakPolarHBondContact CA-O 3.5Å; V202-A224 HydrophobicContact CG2-CB 4.35Å; T203-A224 PolarHBondContact N-O 3.34Å
225A98.8Very high96Very high0 Ų033.8 Ų33.80%019%0.188CC..EExtended strand (participates in β ladder)trans-101.4109.5-175.100000111.6T203 V223 L236 V289 F290 K291 S292T203-A225 WeakPolarHBondContact OG1-CA 3.31Å; V223-A225 HydrophobicContact CG1-CB 4.45Å; A225-L236 HydrophobicContact CB-CD1 3.72Å; A225-L236 HydrophobicContact CB-CD2 4.42Å; A225-L236 HydrophobicContact CB-CG 4.27Å; A225-V289 HydrophobicContact CB-CG1 4.42Å; A225-F290 PolarHBondContact N-O 3.21Å; A225-K291 HydrophobicContact CB-CD 4.19Å; A225-S292 PolarHBondContact O-N 2.97Å
226V98.1Very high96Very high18 Ų1827.3 Ų27.311%0.10916%0.157CC..  trans-116.5-30.3-165.6-174.30000112.8T120 S124 T203 V204T120-V226 HydrophobicContact CG2-CG1 3.35Å; S124-V226 WeakPolarHBondContact OG-CG2 3.5Å; T203-V226 WeakPolarHBondContact O-CB 3.11Å; T203-V226 PolarHBondContact O-N 2.85Å; V204-V226 HydrophobicContact CG1-CB 3.78Å; V204-V226 HydrophobicContact CG1-CG1 4.21Å; V204-V226 HydrophobicContact CG1-CG2 4.03Å
227G91.3Very high96Very high10 Ų1026.4 Ų26.410%0.10316%0.155CC..SBendtrans-71.4-168.5174.100000112T203 C229 E235 K291T203-G227 PolarHBondContact O-N 3.42Å; G227-C229 PolarHBondContact O-N 3.31Å; G227-E235 WeakPolarHBondContact CA-OE2 3.34Å; G227-E235 PolarHBondContact N-OE2 3.41Å; G227-K291 PolarHBondContact O-NZ 2.84Å
228A89.5Confident96Very high4 Ų428.2 Ų28.23%0.03316%0.164CC..  trans48.956.4177.400000114R230 W233 E235 D260 K291A228-R230 VanDerWaalsContact C-N 3.25Å; A228-R230 PolarHBondContact O-N 3.33Å; A228-W233 HydrophobicContact CB-CB 3.99Å; A228-E235 HydrophobicContact CB-CB 4.47Å; A228-E235 HydrophobicContact CB-CG 3.9Å; A228-D260 WeakPolarHBondContact CB-OD2 3.13Å; A228-K291 PolarHBondContact O-NZ 3.41Å
229C85.3Confident96Very high29 Ų2928 Ų2820%0.19617%0.17CC..  trans-91.735.9177.460.90000112.9G227 E257 L293G227-C229 PolarHBondContact O-N 3.31Å; C229-E257 CarbonylContact C-O 3.56Å; C229-L293 HydrophobicContact CB-CD2 3.9Å
230R89.6Confident96Very high51 Ų5123.9 Ų23.919%0.19214%0.136CC..SBendtrans-133.4148.8171.1-61.5-159.3-158.5-158.75110A228 D232 W233 E257 G259A228-R230 VanDerWaalsContact C-N 3.25Å; A228-R230 PolarHBondContact O-N 3.33Å; R230-D232 VanDerWaalsContact CB-OD1 3.25Å; R230-D232 WeakPolarHBondContact CB-OD1 3.38Å; R230-D232 PolarHBondContact O-N 2.53Å; R230-D232 VanDerWaalsContact O-N 3.08Å; R230-W233 HydrophobicContact CB-CB 4.22Å; R230-W233 HydrophobicContact CB-CD2 3.96Å; R230-W233 HydrophobicContact CB-CE3 4.44Å; R230-W233 HydrophobicContact CB-CG 3.86Å; R230-W233 HydrophobicContact CG-CD2 3.96Å; R230-W233 HydrophobicContact CG-CE3 4.1Å; R230-W233 HydrophobicContact CG-CG 4.4Å; R230-W233 HydrophobicContact CG-CZ2 4.5Å; R230-W233 HydrophobicContact CG-CZ3 4.45Å; R230-W233 PolarHBondContact O-N 2.78Å; R230-E257 CarbonylContact C-O 3.51Å; R230-E257 WeakPolarHBondContact CA-O 3.29Å; R230-E257 PolarHBondContact N-O 2.93Å; R230-E257 VanDerWaalsContact N-O 3.1Å; R230-G259 PolarHBondContact O-N 3.23Å
231P93.2Very high96Very high63 Ų6323.2 Ų23.241%0.40913%0.129SC..THydrogen-bonded Turntrans-64.3-17.7-174.925.6-35.9000113.5E257 G259 I262P231-E257 VanDerWaalsContact N-O 3.09Å; P231-G259 WeakPolarHBondContact O-CA 3.48Å; P231-I262 HydrophobicContact CB-CD1 3.68Å
232D93.8Very high96Very high101 Ų10129.5 Ų29.554%0.5416%0.156SC..THydrogen-bonded Turntrans-102.3-0.1178.764.4-42.9000113.8R230R230-D232 VanDerWaalsContact CB-OD1 3.25Å; R230-D232 WeakPolarHBondContact CB-OD1 3.38Å; R230-D232 PolarHBondContact O-N 2.53Å; R230-D232 VanDerWaalsContact O-N 3.08Å
233W94.8Very high95.9Very high19 Ų1933.6 Ų33.67%0.07219%0.185CC..  trans-110.5145.7-176.4-65.96.1000111.4F80 T208 A228 R230 G259 D260F80-W233 HydrophobicContact CD1-CH2 4.46Å; F80-W233 AromaticContact CE1-CH2 3.56Å; F80-W233 HydrophobicContact CE1-CH2 3.56Å; F80-W233 AromaticContact CE1-CZ3 3.86Å; F80-W233 HydrophobicContact CE1-CZ3 3.86Å; F80-W233 AromaticContact CZ-CH2 3.96Å; F80-W233 HydrophobicContact CZ-CH2 3.96Å; F80-W233 AromaticContact CZ-CZ3 3.84Å; F80-W233 HydrophobicContact CZ-CZ3 3.84Å; T208-W233 HydrophobicContact CG2-CD2 3.67Å; T208-W233 HydrophobicContact CG2-CE3 4.28Å; T208-W233 HydrophobicContact CG2-CG 3.78Å; T208-W233 HydrophobicContact CG2-CZ2 4.13Å; A228-W233 HydrophobicContact CB-CB 3.99Å; R230-W233 HydrophobicContact CB-CB 4.22Å; R230-W233 HydrophobicContact CB-CD2 3.96Å; R230-W233 HydrophobicContact CB-CE3 4.44Å; R230-W233 HydrophobicContact CB-CG 3.86Å; R230-W233 HydrophobicContact CG-CD2 3.96Å; R230-W233 HydrophobicContact CG-CE3 4.1Å; R230-W233 HydrophobicContact CG-CG 4.4Å; R230-W233 HydrophobicContact CG-CZ2 4.5Å; R230-W233 HydrophobicContact CG-CZ3 4.45Å; R230-W233 PolarHBondContact O-N 2.78Å; W233-G259 CarbonylContact O-C 3.57Å; W233-G259 WeakPolarHBondContact O-CA 3.46Å; W233-D260 PolarHBondContact O-N 3.08Å
234R97.4Very high95.9Very high25 Ų2534.2 Ų34.29%0.09419%0.19CC..  trans-136.5148.3177.5-61.2-173.168.8168.6-4.7112.8T208 E209 P210 L236 D237 D238 D260 L263T208-R234 CarbonylContact C-O 3.48Å; T208-R234 PolarHBondContact O-N 3.05Å; E209-R234 CarbonylContact C-O 3.51Å; E209-R234 PolarHBondContact N-O 2.92Å; P210-R234 HydrophobicContact CG-CB 4.14Å; R234-L236 VanDerWaalsContact CZ-O 3.31Å; R234-L236 PolarHBondContact NE-O 3.5Å; R234-L236 VanDerWaalsContact NE-O 3.07Å; R234-L236 PolarHBondContact NH2-O 2.97Å; R234-D237 VanDerWaalsContact NH2-C 3.26Å; R234-D238 IonicContact CZ-OD1 2.73Å; R234-D238 IonicContact NH1-OD1 2.8Å; R234-D238 PolarHBondContact NH1-OD1 3.37Å; R234-D238 IonicContact NH2-OD1 3.99Å; R234-D238 PolarHBondContact NH2-OD1 3.25Å; R234-D260 VanDerWaalsContact CA-OD1 3.25Å; R234-D260 WeakPolarHBondContact CA-OD1 3.5Å; R234-D260 WeakPolarHBondContact CB-OD1 3.42Å; R234-D260 IonicContact NE-OD1 3.67Å; R234-L263 HydrophobicContact CG-CD1 3.91Å
235E98.1Very high95.9Very high0 Ų035.1 Ų35.10%020%0.195CC..SBendtrans-114.7-20.5163-70.5-166.9114.300112T203 T205 P210 V211 L212 G227 A228 D260T203-E235 VanDerWaalsContact CB-OE2 3.28Å; T203-E235 WeakPolarHBondContact CB-OE2 3.11Å; T203-E235 PolarHBondContact OG1-OE2 3.31Å; T205-E235 VanDerWaalsContact CA-OE1 3.28Å; T205-E235 WeakPolarHBondContact CA-OE1 3.02Å; T205-E235 WeakPolarHBondContact CB-OE1 3.24Å; T205-E235 WeakPolarHBondContact CG2-OE1 3.34Å; T205-E235 PolarHBondContact N-OE1 3.42Å; T205-E235 PolarHBondContact OG1-OE1 3.45Å; P210-E235 CarbonylContact C-O 3.44Å; P210-E235 WeakPolarHBondContact CA-O 3.38Å; V211-E235 HydrophobicContact CG2-CB 4.06Å; V211-E235 HydrophobicContact CG2-CG 4.34Å; V211-E235 PolarHBondContact N-O 2.97Å; L212-E235 PolarHBondContact N-O 3.11Å; G227-E235 WeakPolarHBondContact CA-OE2 3.34Å; G227-E235 PolarHBondContact N-OE2 3.41Å; A228-E235 HydrophobicContact CB-CB 4.47Å; A228-E235 HydrophobicContact CB-CG 3.9Å; E235-D260 PolarHBondContact N-OD1 2.97Å
236L98.7Very high95.9Very high0 Ų035.2 Ų35.20%020%0.196CC..BIsolated β-bridgetrans-115.7137.1-172.2-50-172000111T203 L212 V223 A225 R234 L240 M241 D260 V289T203-L236 HydrophobicContact CG2-CD2 4.06Å; L212-L236 HydrophobicContact CB-CD2 3.79Å; L212-L236 HydrophobicContact CD2-CD2 3.79Å; L212-L236 HydrophobicContact CG-CD2 4.19Å; V223-L236 HydrophobicContact CG1-CD2 4.42Å; A225-L236 HydrophobicContact CB-CD1 3.72Å; A225-L236 HydrophobicContact CB-CD2 4.42Å; A225-L236 HydrophobicContact CB-CG 4.27Å; R234-L236 VanDerWaalsContact CZ-O 3.31Å; R234-L236 PolarHBondContact NE-O 3.5Å; R234-L236 VanDerWaalsContact NE-O 3.07Å; R234-L236 PolarHBondContact NH2-O 2.97Å; L236-L240 HydrophobicContact CB-CD2 4.31Å; L236-L240 HydrophobicContact CD1-CD2 4.22Å; L236-L240 HydrophobicContact CD2-CD2 4Å; L236-L240 HydrophobicContact CG-CD2 4.41Å; L236-M241 HydrophobicContact CB-CG 3.9Å; L236-M241 HydrophobicContact CB-SD 4.01Å; L236-M241 HydrophobicContact CD1-CG 4.44Å; L236-M241 HydrophobicContact CD1-SD 3.47Å; L236-M241 WeakPolarHBondContact CD1-SD 3.29Å; L236-M241 HydrophobicContact CG-SD 4.35Å; L236-D260 PolarHBondContact N-OD1 3.27Å; L236-V289 HydrophobicContact CD1-CG1 3.75Å; L236-V289 HydrophobicContact CD1-CG2 4.35Å
237D98.6Very high95.9Very high20 Ų2034.4 Ų34.411%0.10719%0.191CC..  trans-78.2168.417782.4-24.5000113.3P210 L212 H213 G214 R234 V239 L240 M241P210-D237 HydrophobicContact CB-CB 4.06Å; P210-D237 HydrophobicContact CG-CB 4.41Å; L212-D237 PolarHBondContact O-N 2.94Å; L212-D237 VanDerWaalsContact O-N 3.15Å; H213-D237 IonicContact CG-OD2 2.86Å; H213-D237 IonicContact ND1-OD2 3.71Å; H213-D237 PolarHBondContact ND1-OD2 3.41Å; G214-D237 PolarHBondContact N-OD1 3.09Å; R234-D237 VanDerWaalsContact NH2-C 3.26Å; D237-V239 VanDerWaalsContact C-N 3.27Å; D237-V239 PolarHBondContact O-N 3.05Å; D237-L240 PolarHBondContact O-N 3.23Å; D237-L240 WeakPolarHBondContact OD1-CB 3.28Å; D237-L240 PolarHBondContact OD1-N 3.49Å; D237-M241 WeakPolarHBondContact O-CG 3.16Å; D237-M241 PolarHBondContact O-N 3Å; D237-M241 VanDerWaalsContact O-N 3.12Å
238D98.6Very high96.3Very high58 Ų5833.9 Ų33.931%0.3119%0.186SC..Hα-helixtrans-62.4-35179.9-84.914.5000113R234 M241 K242R234-D238 IonicContact CZ-OD1 2.73Å; R234-D238 IonicContact NH1-OD1 2.8Å; R234-D238 PolarHBondContact NH1-OD1 3.37Å; R234-D238 IonicContact NH2-OD1 3.99Å; R234-D238 PolarHBondContact NH2-OD1 3.25Å; D238-M241 PolarHBondContact O-N 3.43Å; D238-K242 HydrophobicContact CB-CD 4.43Å; D238-K242 VanDerWaalsContact O-CB 3.26Å; D238-K242 WeakPolarHBondContact O-CB 3.21Å; D238-K242 VanDerWaalsContact O-CG 3.29Å; D238-K242 WeakPolarHBondContact O-CG 3.43Å; D238-K242 PolarHBondContact O-N 2.77Å; D238-K242 IonicContact OD2-NZ 3.83Å; D238-K242 PolarHBondContact OD2-NZ 2.9Å; D238-K242 VanDerWaalsContact OD2-NZ 3.13Å
239V98.4Very high96.7Very high86 Ų8633.8 Ų33.852%0.52119%0.185SC..Hα-helixtrans-62.4-48-178.31790000109.6D237 S243D237-V239 VanDerWaalsContact C-N 3.27Å; D237-V239 PolarHBondContact O-N 3.05Å; V239-S243 WeakPolarHBondContact O-CB 3.46Å; V239-S243 PolarHBondContact O-N 3.15Å; V239-S243 PolarHBondContact O-OG 2.74Å
240L98.7Very high97.3Very high1 Ų132.9 Ų32.91%0.00518%0.179CC..Hα-helixtrans-64-51.3176.6-178.956.1000111.4L212 V217 V223 L236 D237 K242 S243 A244 T287 V289L212-L240 HydrophobicContact CD2-CD2 3.75Å; L212-L240 HydrophobicContact CG-CD2 3.87Å; V217-L240 HydrophobicContact CB-CD1 4.42Å; V217-L240 HydrophobicContact CG1-CD1 4.35Å; V217-L240 HydrophobicContact CG2-CD1 4.1Å; V217-L240 HydrophobicContact CG2-CD2 4.22Å; V223-L240 HydrophobicContact CG2-CD2 4.43Å; L236-L240 HydrophobicContact CB-CD2 4.31Å; L236-L240 HydrophobicContact CD1-CD2 4.22Å; L236-L240 HydrophobicContact CD2-CD2 4Å; L236-L240 HydrophobicContact CG-CD2 4.41Å; D237-L240 PolarHBondContact O-N 3.23Å; D237-L240 WeakPolarHBondContact OD1-CB 3.28Å; D237-L240 PolarHBondContact OD1-N 3.49Å; L240-K242 VanDerWaalsContact C-N 3.3Å; L240-K242 PolarHBondContact O-N 3.1Å; L240-S243 PolarHBondContact O-N 3.23Å; L240-S243 PolarHBondContact O-OG 3.34Å; L240-A244 HydrophobicContact CD1-CB 4.32Å; L240-A244 VanDerWaalsContact O-CB 3.31Å; L240-A244 WeakPolarHBondContact O-CB 3.21Å; L240-A244 PolarHBondContact O-N 3.19Å; L240-T287 HydrophobicContact CD1-CG2 3.97Å; L240-V289 HydrophobicContact CD1-CG2 4.22Å; L240-V289 HydrophobicContact CD2-CG2 4.44Å; L240-V289 HydrophobicContact CG-CG2 4.09Å
241M98.6Very high97.7Very high1 Ų133.6 Ų33.61%0.00518%0.181CC..Hα-helixtrans-63.5-33.2-174.4-72.8-57.5-6300113.5L236 D237 D238 V246 D260 V261 S264 A266 V289L236-M241 HydrophobicContact CB-CG 3.9Å; L236-M241 HydrophobicContact CB-SD 4.01Å; L236-M241 HydrophobicContact CD1-CG 4.44Å; L236-M241 HydrophobicContact CD1-SD 3.47Å; L236-M241 WeakPolarHBondContact CD1-SD 3.29Å; L236-M241 HydrophobicContact CG-SD 4.35Å; D237-M241 WeakPolarHBondContact O-CG 3.16Å; D237-M241 PolarHBondContact O-N 3Å; D237-M241 VanDerWaalsContact O-N 3.12Å; D238-M241 PolarHBondContact O-N 3.43Å; M241-V246 HydrophobicContact CE-CG1 4.18Å; M241-V246 HydrophobicContact CE-CG2 3.96Å; M241-D260 HydrophobicContact CE-CB 4.34Å; M241-D260 HydrophobicContact SD-CB 4.28Å; M241-V261 HydrophobicContact CE-CG2 3.94Å; M241-S264 WeakPolarHBondContact CB-OG 3.24Å; M241-A266 HydrophobicContact CB-CB 4.07Å; M241-A266 HydrophobicContact CE-CB 3.88Å; M241-A266 WeakPolarHBondContact O-CB 3.46Å; M241-V289 HydrophobicContact SD-CG1 4.13Å
242K98.1Very high97.8Very high134 Ų13436.3 Ų36.358%0.58319%0.188SC*.Hα-helixtrans-83.4-22.7179.3-69.2173.5179.9164.30113.8D238 L240 S264D238-K242 HydrophobicContact CB-CD 4.43Å; D238-K242 VanDerWaalsContact O-CB 3.26Å; D238-K242 WeakPolarHBondContact O-CB 3.21Å; D238-K242 VanDerWaalsContact O-CG 3.29Å; D238-K242 WeakPolarHBondContact O-CG 3.43Å; D238-K242 PolarHBondContact O-N 2.77Å; D238-K242 IonicContact OD2-NZ 3.83Å; D238-K242 PolarHBondContact OD2-NZ 2.9Å; D238-K242 VanDerWaalsContact OD2-NZ 3.13Å; L240-K242 VanDerWaalsContact C-N 3.3Å; L240-K242 PolarHBondContact O-N 3.1Å; K242-S264 WeakPolarHBondContact CE-O 3.38Å
243S96.9Very high97.9Very high85 Ų8531.7 Ų31.759%0.59417%0.165SC*.Hα-helixtrans-97.5-25-177.360.80000113.8V239 L240V239-S243 WeakPolarHBondContact O-CB 3.46Å; V239-S243 PolarHBondContact O-N 3.15Å; V239-S243 PolarHBondContact O-OG 2.74Å; L240-S243 PolarHBondContact O-N 3.23Å; L240-S243 PolarHBondContact O-OG 3.34Å
244A98.6Very high98Very high13 Ų1330.8 Ų30.811%0.10716%0.162CC..SBendtrans-81.2157.6179.700000112.9L240 V246 T287 V289L240-A244 HydrophobicContact CD1-CB 4.32Å; L240-A244 VanDerWaalsContact O-CB 3.31Å; L240-A244 WeakPolarHBondContact O-CB 3.21Å; L240-A244 PolarHBondContact O-N 3.19Å; A244-V246 PolarHBondContact O-N 3.34Å; A244-T287 CarbonylContact C-O 3.58Å; A244-T287 VanDerWaalsContact CA-O 3.28Å; A244-T287 WeakPolarHBondContact CA-O 3.49Å; A244-T287 HydrophobicContact CB-CG2 4.11Å; A244-T287 WeakPolarHBondContact CB-O 3.4Å; A244-V289 HydrophobicContact CB-CB 4.29Å; A244-V289 HydrophobicContact CB-CG2 3.59Å
245V98.8Very high98Very high20 Ų2034.5 Ų34.512%0.12118%0.183CC..EExtended strand (participates in β ladder)trans-81.1113.5164.2-173.40000108.4Y247 F269 E283 K286 T287 T288 V289V245-Y247 HydrophobicContact CB-CE2 3.99Å; V245-Y247 HydrophobicContact CG1-CD2 4.32Å; V245-Y247 HydrophobicContact CG1-CE2 3.51Å; V245-Y247 WeakPolarHBondContact O-CD2 3.38Å; V245-F269 HydrophobicContact CG1-CB 3.72Å; V245-F269 HydrophobicContact CG1-CD1 3.61Å; V245-F269 HydrophobicContact CG1-CD2 4.2Å; V245-F269 HydrophobicContact CG1-CE1 4.25Å; V245-F269 HydrophobicContact CG1-CG 3.58Å; V245-E283 HydrophobicContact CB-CB 4.36Å; V245-E283 HydrophobicContact CG1-CB 4.31Å; V245-E283 HydrophobicContact CG1-CG 4.16Å; V245-E283 HydrophobicContact CG2-CB 4.03Å; V245-E283 HydrophobicContact CG2-CG 4.26Å; V245-K286 HydrophobicContact CG2-CB 4.02Å; V245-K286 HydrophobicContact CG2-CD 3.63Å; V245-K286 HydrophobicContact CG2-CG 4.48Å; V245-T287 PolarHBondContact N-O 3.05Å; V245-T288 HydrophobicContact CB-CG2 4.37Å; V245-T288 WeakPolarHBondContact O-CA 3.48Å; V245-V289 PolarHBondContact O-N 3.01Å
246V98.9Very high97.9Very high2 Ų237.4 Ų37.41%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-92.5117.3-173.5-178.20000111.3M241 A244 T248 A266 F269 V289M241-V246 HydrophobicContact CE-CG1 4.18Å; M241-V246 HydrophobicContact CE-CG2 3.96Å; A244-V246 PolarHBondContact O-N 3.34Å; V246-T248 HydrophobicContact CG1-CG2 4.46Å; V246-A266 HydrophobicContact CG2-CB 4.25Å; V246-F269 VanDerWaalsContact O-CB 3.29Å; V246-F269 WeakPolarHBondContact O-CB 3.18Å; V246-F269 PolarHBondContact O-N 2.81Å; V246-V289 CarbonylContact C-O 3.58Å; V246-V289 WeakPolarHBondContact CA-O 3.45Å
247Y98.9Very high97.7Very high0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans-103.8150.5169.3-60.3-97.3000109.7L131 V245 F269 A270 V275 P281 E283 T288 V289 F290 K291L131-Y247 HydrophobicContact CD1-CD1 4.29Å; L131-Y247 HydrophobicContact CD1-CD2 3.65Å; L131-Y247 HydrophobicContact CD1-CE2 4.12Å; L131-Y247 HydrophobicContact CD1-CG 3.75Å; L131-Y247 HydrophobicContact CD2-CD1 4.26Å; L131-Y247 HydrophobicContact CD2-CD2 4.15Å; L131-Y247 HydrophobicContact CD2-CE1 3.9Å; L131-Y247 HydrophobicContact CD2-CE2 3.79Å; L131-Y247 HydrophobicContact CD2-CG 4.38Å; V245-Y247 HydrophobicContact CB-CE2 3.99Å; V245-Y247 HydrophobicContact CG1-CD2 4.32Å; V245-Y247 HydrophobicContact CG1-CE2 3.51Å; V245-Y247 WeakPolarHBondContact O-CD2 3.38Å; Y247-F269 HydrophobicContact CD1-CD1 4.42Å; Y247-F269 AromaticContact CE1-CD1 3.7Å; Y247-F269 HydrophobicContact CE1-CD1 3.7Å; Y247-F269 HydrophobicContact CE1-CE1 4.08Å; Y247-F269 AromaticContact CZ-CD1 3.75Å; Y247-A270 VanDerWaalsContact CA-O 3.27Å; Y247-A270 WeakPolarHBondContact CA-O 3.02Å; Y247-A270 HydrophobicContact CD1-CB 3.88Å; Y247-A270 HydrophobicContact CE1-CB 3.97Å; Y247-V275 HydrophobicContact CD1-CG2 3.77Å; Y247-V275 HydrophobicContact CE1-CG2 3.52Å; Y247-P281 PolarHBondContact OH-O 3.23Å; Y247-P281 VanDerWaalsContact OH-O 3.12Å; Y247-E283 WeakPolarHBondContact OH-CB 3.09Å; Y247-E283 WeakPolarHBondContact OH-CG 3.18Å; Y247-E283 PolarHBondContact OH-N 3.1Å; Y247-E283 VanDerWaalsContact OH-N 3.07Å; Y247-T288 HydrophobicContact CE2-CG2 3.92Å; Y247-V289 PolarHBondContact N-O 3.17Å; Y247-F290 CarbonylContact O-C 3.53Å; Y247-F290 WeakPolarHBondContact O-CA 3.46Å; Y247-K291 PolarHBondContact O-N 3.36Å
248T98.8Very high97.6Very high0 Ų037.7 Ų37.70%020%0.204CC..EExtended strand (participates in β ladder)trans-132.2164.2176.857.70000110.8V246 A254 V268 A270 E271 L272 K291V246-T248 HydrophobicContact CG1-CG2 4.46Å; T248-A254 HydrophobicContact CG2-CB 3.45Å; T248-A254 VanDerWaalsContact CG2-CB 3.45Å; T248-V268 HydrophobicContact CG2-CB 4.35Å; T248-V268 HydrophobicContact CG2-CG1 3.68Å; T248-V268 HydrophobicContact CG2-CG2 3.73Å; T248-V268 WeakPolarHBondContact OG1-CG1 3.41Å; T248-A270 PolarHBondContact N-O 3.22Å; T248-A270 VanDerWaalsContact N-O 3.11Å; T248-E271 CarbonylContact O-C 3.1Å; T248-E271 VanDerWaalsContact O-CA 3.24Å; T248-E271 WeakPolarHBondContact O-CA 3.49Å; T248-L272 PolarHBondContact O-N 2.84Å; T248-K291 WeakPolarHBondContact CA-O 3.46Å; T248-K291 HydrophobicContact CG2-CB 4.28Å
249D98.2Very high97.6Very high2 Ų234.9 Ų34.91%0.01119%0.189CC..SBendtrans-72.2-52.1166.24710000111F290 K291 S292 L293 G294 M295D249-F290 HydrophobicContact CB-CE2 4.24Å; D249-F290 HydrophobicContact CB-CZ 4.19Å; D249-K291 PolarHBondContact N-O 2.88Å; D249-S292 WeakPolarHBondContact OD2-CA 3.3Å; D249-L293 PolarHBondContact OD2-N 2.87Å; D249-G294 PolarHBondContact OD2-N 3.07Å; D249-M295 VanDerWaalsContact C-SD 3.59Å; D249-M295 HydrophobicContact CB-CE 3.97Å; D249-M295 HydrophobicContact CB-CG 4.07Å; D249-M295 HydrophobicContact CB-SD 4.05Å
250S97.8Very high97.6Very high10 Ų1030.8 Ų30.87%0.0716%0.164CC..  trans-129.2131170.71720000110.4E252 G253 A254S250-E252 PolarHBondContact OG-N 3.48Å; S250-G253 PolarHBondContact OG-N 3.14Å; S250-A254 VanDerWaalsContact O-CB 3.31Å; S250-A254 WeakPolarHBondContact O-CB 3.34Å; S250-A254 PolarHBondContact O-N 2.78Å
251R97.1Very high97.6Very high66 Ų6630.9 Ų30.925%0.24917%0.165CC..Hα-helixtrans-64.3-42.8174.4-178.9-179.3-63.4-88.1-4.7111.6A254 L255 V268 F269 E271R251-A254 PolarHBondContact O-N 3.29Å; R251-L255 HydrophobicContact CG-CD1 4.04Å; R251-L255 VanDerWaalsContact O-CG 3.3Å; R251-L255 WeakPolarHBondContact O-CG 3.36Å; R251-L255 PolarHBondContact O-N 2.69Å; R251-V268 HydrophobicContact CG-CG1 4.4Å; R251-V268 PolarHBondContact NH1-O 2.67Å; R251-V268 PolarHBondContact NH2-O 2.99Å; R251-V268 VanDerWaalsContact NH2-O 3.09Å; R251-F269 PolarHBondContact NH2-O 3.27Å; R251-E271 HydrophobicContact CB-CG 4.24Å; R251-E271 WeakPolarHBondContact CB-OE1 3.38Å; R251-E271 PolarHBondContact N-OE1 2.91Å
252E96.1Very high97.5Very high119 Ų11934 Ų3456%0.55618%0.181SC*.Hα-helixtrans-65.4-42.5-179.6-162.3-171.9169.500111.1V47 S250 S256V47-E252 HydrophobicContact CG2-CB 4.02Å; V47-E252 HydrophobicContact CG2-CG 3.47Å; V47-E252 VanDerWaalsContact CG2-CG 3.47Å; V47-E252 WeakPolarHBondContact CG2-OE1 3.45Å; S250-E252 PolarHBondContact OG-N 3.48Å; E252-S256 WeakPolarHBondContact O-CB 3.39Å; E252-S256 PolarHBondContact O-N 3Å; E252-S256 PolarHBondContact O-OG 3.29Å
253G96.3Very high97.5Very high5 Ų532.1 Ų32.15%0.05218%0.176CC..Hα-helixtrans-61-47.9172.500000111.8S250 L255 S256 E257 L293S250-G253 PolarHBondContact OG-N 3.14Å; G253-L255 VanDerWaalsContact C-N 3.34Å; G253-L255 PolarHBondContact O-N 2.91Å; G253-S256 PolarHBondContact O-N 2.91Å; G253-E257 WeakPolarHBondContact O-CB 3.37Å; G253-E257 PolarHBondContact O-N 3.16Å; G253-L293 VanDerWaalsContact O-CD1 3.24Å; G253-L293 WeakPolarHBondContact O-CD1 3.49Å
254A97.3Very high97.6Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-58-43.7-179.200000113.2T248 S250 R251 S256 S258 V261 V268 L293T248-A254 HydrophobicContact CG2-CB 3.45Å; T248-A254 VanDerWaalsContact CG2-CB 3.45Å; S250-A254 VanDerWaalsContact O-CB 3.31Å; S250-A254 WeakPolarHBondContact O-CB 3.34Å; S250-A254 PolarHBondContact O-N 2.78Å; R251-A254 PolarHBondContact O-N 3.29Å; A254-S256 PolarHBondContact O-N 3.41Å; A254-S258 WeakPolarHBondContact O-CB 3.49Å; A254-S258 PolarHBondContact O-N 3.38Å; A254-V261 HydrophobicContact CB-CG2 4.45Å; A254-V268 HydrophobicContact CB-CG2 4.34Å; A254-L293 VanDerWaalsContact CA-CD1 3.46Å; A254-L293 HydrophobicContact CB-CD1 4.37Å; A254-L293 VanDerWaalsContact N-CD1 3.35Å
255L96.9Very high97.5Very high102 Ų10230.8 Ų30.853%0.53418%0.176SC..Hα-helixtrans-72.3-16.6178.9-66.3173.3000113.5R251 G253 V261 I262R251-L255 HydrophobicContact CG-CD1 4.04Å; R251-L255 VanDerWaalsContact O-CG 3.3Å; R251-L255 WeakPolarHBondContact O-CG 3.36Å; R251-L255 PolarHBondContact O-N 2.69Å; G253-L255 VanDerWaalsContact C-N 3.34Å; G253-L255 PolarHBondContact O-N 2.91Å; L255-V261 HydrophobicContact CD2-CG1 4.29Å; L255-I262 WeakPolarHBondContact O-CD1 3.46Å; L255-I262 WeakPolarHBondContact O-CG1 3.46Å
256S95.3Very high97.5Very high61 Ų6130.3 Ų30.343%0.42718%0.175SC..Hα-helixtrans-101.8-35-178.1-530000113E252 G253 A254E252-S256 WeakPolarHBondContact O-CB 3.39Å; E252-S256 PolarHBondContact O-N 3Å; E252-S256 PolarHBondContact O-OG 3.29Å; G253-S256 PolarHBondContact O-N 2.91Å; A254-S256 PolarHBondContact O-N 3.41Å
257E94.6Very high97.4Very high26 Ų2638.3 Ų38.312%0.12121%0.212CC..Hα-helixtrans-121.1-18.6-165.7-56.6-175.9113.200114.2R48 C229 R230 P231 G253 L293R48-E257 WeakPolarHBondContact CD-OE1 3.39Å; R48-E257 IonicContact NE-OE1 2.82Å; C229-E257 CarbonylContact C-O 3.56Å; R230-E257 CarbonylContact C-O 3.51Å; R230-E257 WeakPolarHBondContact CA-O 3.29Å; R230-E257 PolarHBondContact N-O 2.93Å; R230-E257 VanDerWaalsContact N-O 3.1Å; P231-E257 VanDerWaalsContact N-O 3.09Å; G253-E257 WeakPolarHBondContact O-CB 3.37Å; G253-E257 PolarHBondContact O-N 3.16Å; E257-L293 HydrophobicContact CB-CD1 3.9Å; E257-L293 HydrophobicContact CB-CD2 4.05Å
258S97.2Very high97.4Very high0 Ų038.5 Ų38.50%021%0.213CC..  trans-95.2106.8-174.9179.90000112.1A254 D260 V261 I262 K291A254-S258 WeakPolarHBondContact O-CB 3.49Å; A254-S258 PolarHBondContact O-N 3.38Å; S258-D260 PolarHBondContact O-N 3.43Å; S258-D260 PolarHBondContact OG-N 3.02Å; S258-V261 PolarHBondContact O-N 3.08Å; S258-V261 VanDerWaalsContact O-N 3.14Å; S258-V261 PolarHBondContact OG-N 2.92Å; S258-I262 WeakPolarHBondContact O-CB 3.21Å; S258-I262 WeakPolarHBondContact O-CD1 3.12Å; S258-I262 VanDerWaalsContact O-CG1 3.23Å; S258-I262 WeakPolarHBondContact O-CG1 3.25Å; S258-I262 PolarHBondContact O-N 3.04Å; S258-K291 WeakPolarHBondContact OG-CD 3.38Å; S258-K291 WeakPolarHBondContact OG-CE 3.12Å
259G97.5Very high97.4Very high0 Ų041.9 Ų41.90%023%0.228CC..Hα-helixtrans-62.6-31171.700000113.2R230 P231 W233 V261 L263R230-G259 PolarHBondContact O-N 3.23Å; P231-G259 WeakPolarHBondContact O-CA 3.48Å; W233-G259 CarbonylContact O-C 3.57Å; W233-G259 WeakPolarHBondContact O-CA 3.46Å; G259-V261 VanDerWaalsContact C-N 3.3Å; G259-V261 PolarHBondContact O-N 2.87Å; G259-L263 WeakPolarHBondContact O-CB 3.49Å; G259-L263 WeakPolarHBondContact O-CG 3.39Å; G259-L263 PolarHBondContact O-N 3.16Å
260D98.3Very high97.4Very high0 Ų041.8 Ų41.80%023%0.227CC..Hα-helixtrans-57.8-41.5172.5-65.5-58.7000112.2A228 W233 R234 E235 L236 M241 S258 S264 K291A228-D260 WeakPolarHBondContact CB-OD2 3.13Å; W233-D260 PolarHBondContact O-N 3.08Å; R234-D260 VanDerWaalsContact CA-OD1 3.25Å; R234-D260 WeakPolarHBondContact CA-OD1 3.5Å; R234-D260 WeakPolarHBondContact CB-OD1 3.42Å; R234-D260 IonicContact NE-OD1 3.67Å; E235-D260 PolarHBondContact N-OD1 2.97Å; L236-D260 PolarHBondContact N-OD1 3.27Å; M241-D260 HydrophobicContact CE-CB 4.34Å; M241-D260 HydrophobicContact SD-CB 4.28Å; S258-D260 PolarHBondContact O-N 3.43Å; S258-D260 PolarHBondContact OG-N 3.02Å; D260-S264 WeakPolarHBondContact O-CB 3.21Å; D260-S264 PolarHBondContact O-OG 3.22Å; D260-K291 HydrophobicContact CB-CD 4.41Å; D260-K291 IonicContact OD2-NZ 3.13Å; D260-K291 PolarHBondContact OD2-NZ 2.8Å
261V98.4Very high97.4Very high3 Ų342.2 Ų42.22%0.01823%0.229CC..Hα-helixtrans-79.5-51178.4175.20000111M241 A254 L255 S258 G259 S264 G265 A266 V268 K291M241-V261 HydrophobicContact CE-CG2 3.94Å; A254-V261 HydrophobicContact CB-CG2 4.45Å; L255-V261 HydrophobicContact CD2-CG1 4.29Å; S258-V261 PolarHBondContact O-N 3.08Å; S258-V261 VanDerWaalsContact O-N 3.14Å; S258-V261 PolarHBondContact OG-N 2.92Å; G259-V261 VanDerWaalsContact C-N 3.3Å; G259-V261 PolarHBondContact O-N 2.87Å; V261-S264 PolarHBondContact O-OG 2.85Å; V261-G265 PolarHBondContact O-N 3.31Å; V261-G265 VanDerWaalsContact O-N 3.08Å; V261-A266 PolarHBondContact O-N 3.03Å; V261-V268 HydrophobicContact CG1-CG2 4.01Å; V261-K291 HydrophobicContact CG2-CG 4.31Å
262I98.2Very high97.5Very high67 Ų6739.1 Ų39.134%0.34422%0.217SC..Hα-helixtrans-62.6-49.4-173.9-65.7164000111.2P231 L255 S258 G265P231-I262 HydrophobicContact CB-CD1 3.68Å; L255-I262 WeakPolarHBondContact O-CD1 3.46Å; L255-I262 WeakPolarHBondContact O-CG1 3.46Å; S258-I262 WeakPolarHBondContact O-CB 3.21Å; S258-I262 WeakPolarHBondContact O-CD1 3.12Å; S258-I262 VanDerWaalsContact O-CG1 3.23Å; S258-I262 WeakPolarHBondContact O-CG1 3.25Å; S258-I262 PolarHBondContact O-N 3.04Å; I262-G265 PolarHBondContact O-N 3.1Å
263L98.1Very high97.6Very high93 Ų9333.5 Ų33.549%0.48719%0.191SC..Hα-helixtrans-79.8-26.5-172.7-57.5175000112.7R234 G259R234-L263 HydrophobicContact CG-CD1 3.91Å; G259-L263 WeakPolarHBondContact O-CB 3.49Å; G259-L263 WeakPolarHBondContact O-CG 3.39Å; G259-L263 PolarHBondContact O-N 3.16Å
264S97.9Very high97.7Very high6 Ų633.5 Ų33.54%0.04219%0.19CC..Hα-helixtrans-79.8-22.2173.868.50000113M241 K242 D260 V261 A266M241-S264 WeakPolarHBondContact CB-OG 3.24Å; K242-S264 WeakPolarHBondContact CE-O 3.38Å; D260-S264 WeakPolarHBondContact O-CB 3.21Å; D260-S264 PolarHBondContact O-OG 3.22Å; V261-S264 PolarHBondContact O-OG 2.85Å; S264-A266 PolarHBondContact O-N 2.88Å; S264-A266 VanDerWaalsContact OG-CB 3.28Å; S264-A266 WeakPolarHBondContact OG-CB 3.23Å; S264-A266 PolarHBondContact OG-N 2.82Å; S264-A266 VanDerWaalsContact OG-N 3.17Å
265G97.9Very high97.8Very high64 Ų6434.2 Ų34.266%0.6619%0.194SC*.THydrogen-bonded Turntrans68.420.4-170.600000113.2V261 I262V261-G265 PolarHBondContact O-N 3.31Å; V261-G265 VanDerWaalsContact O-N 3.08Å; I262-G265 PolarHBondContact O-N 3.1Å
266A97.4Very high97.9Very high11 Ų1131.8 Ų31.89%0.09118%0.181CC..PPolyproline II helixtrans-65.9138.1-179.700000111.6M241 V246 V261 S264M241-A266 HydrophobicContact CB-CB 4.07Å; M241-A266 HydrophobicContact CE-CB 3.88Å; M241-A266 WeakPolarHBondContact O-CB 3.46Å; V246-A266 HydrophobicContact CG2-CB 4.25Å; V261-A266 PolarHBondContact O-N 3.03Å; S264-A266 PolarHBondContact O-N 2.88Å; S264-A266 VanDerWaalsContact OG-CB 3.28Å; S264-A266 WeakPolarHBondContact OG-CB 3.23Å; S264-A266 PolarHBondContact OG-N 2.82Å; S264-A266 VanDerWaalsContact OG-N 3.17Å
267Q97.5Very high98Very high170 Ų17031.2 Ų31.279%0.79417%0.173SC*.PPolyproline II helixtrans-81122.6176.4-173179.38.100110.1F269Q267-F269 PolarHBondContact O-N 3.44Å
268V98.3Very high98.1Very high4 Ų433 Ų332%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-67.4116.3169.6177.80000109T248 R251 A254 V261T248-V268 HydrophobicContact CG2-CB 4.35Å; T248-V268 HydrophobicContact CG2-CG1 3.68Å; T248-V268 HydrophobicContact CG2-CG2 3.73Å; T248-V268 WeakPolarHBondContact OG1-CG1 3.41Å; R251-V268 HydrophobicContact CG-CG1 4.4Å; R251-V268 PolarHBondContact NH1-O 2.67Å; R251-V268 PolarHBondContact NH2-O 2.99Å; R251-V268 VanDerWaalsContact NH2-O 3.09Å; A254-V268 HydrophobicContact CB-CG2 4.34Å; V261-V268 HydrophobicContact CG1-CG2 4.01Å
269F98.6Very high98.1Very high70 Ų7037.4 Ų37.431%0.30723%0.225SC..EExtended strand (participates in β ladder)trans-72.9-54.7-179.7176.5-105.3000111.4V245 V246 Y247 R251 Q267 P281 E283V245-F269 HydrophobicContact CG1-CB 3.72Å; V245-F269 HydrophobicContact CG1-CD1 3.61Å; V245-F269 HydrophobicContact CG1-CD2 4.2Å; V245-F269 HydrophobicContact CG1-CE1 4.25Å; V245-F269 HydrophobicContact CG1-CG 3.58Å; V246-F269 VanDerWaalsContact O-CB 3.29Å; V246-F269 WeakPolarHBondContact O-CB 3.18Å; V246-F269 PolarHBondContact O-N 2.81Å; Y247-F269 HydrophobicContact CD1-CD1 4.42Å; Y247-F269 AromaticContact CE1-CD1 3.7Å; Y247-F269 HydrophobicContact CE1-CD1 3.7Å; Y247-F269 HydrophobicContact CE1-CE1 4.08Å; Y247-F269 AromaticContact CZ-CD1 3.75Å; R251-F269 PolarHBondContact NH2-O 3.27Å; Q267-F269 PolarHBondContact O-N 3.44Å; F269-P281 HydrophobicContact CE1-CG 4.17Å; F269-P281 HydrophobicContact CZ-CG 3.89Å; F269-E283 HydrophobicContact CE1-CG 4.32Å; F269-E283 HydrophobicContact CZ-CG 4.38Å
270A98.4Very high98.2Very high0 Ų041.5 Ų41.50%024%0.243CC..EExtended strand (participates in β ladder)trans-151.8159.8-176.200000111.5Y247 T248 D274 K280Y247-A270 VanDerWaalsContact CA-O 3.27Å; Y247-A270 WeakPolarHBondContact CA-O 3.02Å; Y247-A270 HydrophobicContact CD1-CB 3.88Å; Y247-A270 HydrophobicContact CE1-CB 3.97Å; T248-A270 PolarHBondContact N-O 3.22Å; T248-A270 VanDerWaalsContact N-O 3.11Å; A270-D274 HydrophobicContact CB-CB 4.29Å; A270-K280 HydrophobicContact CB-CB 3.72Å; A270-K280 HydrophobicContact CB-CD 4.35Å; A270-K280 HydrophobicContact CB-CG 3.67Å
271E98.7Very high98.1Very high20 Ų2044.9 Ų44.99%0.09327%0.265CS..EExtended strand (participates in β ladder)trans-82.2156.9162.7-67.9177.3167.800110S36 T248 R251 G273 D274S36-E271 WeakPolarHBondContact CB-OE2 3.43Å; S36-E271 WeakPolarHBondContact OG-CB 3.48Å; S36-E271 PolarHBondContact OG-OE2 2.82Å; T248-E271 CarbonylContact O-C 3.1Å; T248-E271 VanDerWaalsContact O-CA 3.24Å; T248-E271 WeakPolarHBondContact O-CA 3.49Å; R251-E271 HydrophobicContact CB-CG 4.24Å; R251-E271 WeakPolarHBondContact CB-OE1 3.38Å; R251-E271 PolarHBondContact N-OE1 2.91Å; E271-G273 PolarHBondContact O-N 2.72Å; E271-D274 PolarHBondContact N-OD2 3.3Å; E271-D274 WeakPolarHBondContact O-CB 3.48Å; E271-D274 PolarHBondContact O-N 2.87Å; E271-D274 VanDerWaalsContact O-N 3.13Å
272L98.5Very high98.1Very high0 Ų046.4 Ų46.40%028%0.278CS..Hα-helixtrans-63.8-34.2178.6-167.160.7000111.6L32 V123 I126 L130 L131 T248 D274 V275 I276 F290L32-L272 HydrophobicContact CD1-CD2 4.06Å; V123-L272 HydrophobicContact CG1-CD2 4.16Å; I126-L272 HydrophobicContact CG2-CD2 4.09Å; L130-L272 HydrophobicContact CD1-CD1 3.79Å; L130-L272 HydrophobicContact CD1-CG 4.23Å; L131-L272 HydrophobicContact CD1-CD1 4.24Å; T248-L272 PolarHBondContact O-N 2.84Å; L272-D274 VanDerWaalsContact C-N 3.3Å; L272-D274 PolarHBondContact O-N 3.41Å; L272-V275 WeakPolarHBondContact O-CB 3.2Å; L272-V275 PolarHBondContact O-N 2.89Å; L272-I276 HydrophobicContact CG-CD1 4.47Å; L272-I276 WeakPolarHBondContact O-CG1 3.37Å; L272-I276 PolarHBondContact O-N 3.22Å; L272-I276 VanDerWaalsContact O-N 3.08Å; L272-F290 HydrophobicContact CB-CD2 4.46Å; L272-F290 HydrophobicContact CB-CE2 3.98Å; L272-F290 HydrophobicContact CD2-CD2 4.32Å; L272-F290 HydrophobicContact CD2-CE1 4.49Å; L272-F290 HydrophobicContact CD2-CE2 3.82Å; L272-F290 HydrophobicContact CD2-CZ 3.92Å; L272-F290 HydrophobicContact CG-CE2 4.41Å
273G98.4Very high98.1Very high1 Ų145.6 Ų45.61%0.0127%0.273CS..Hα-helixtrans-62.3-33.2173.300000113.7L32 S36 E271 V275 I276 N277L32-G273 VanDerWaalsContact O-CA 3.3Å; L32-G273 WeakPolarHBondContact O-CA 3.48Å; S36-G273 WeakPolarHBondContact OG-CA 3.28Å; E271-G273 PolarHBondContact O-N 2.72Å; G273-V275 VanDerWaalsContact C-N 3.28Å; G273-V275 PolarHBondContact O-N 2.87Å; G273-I276 PolarHBondContact O-N 2.91Å; G273-N277 WeakPolarHBondContact O-CB 3.47Å; G273-N277 VanDerWaalsContact O-CG 3.3Å; G273-N277 PolarHBondContact O-N 2.88Å; G273-N277 PolarHBondContact O-ND2 3.43Å; G273-N277 VanDerWaalsContact O-ND2 3.1Å
274D98.5Very high98.1Very high6 Ų646.7 Ų46.73%0.03227%0.271CS..Hα-helixtrans-62.1-38.5174.2-67.7-45.9000111.4A270 E271 L272 G278 T279 K280A270-D274 HydrophobicContact CB-CB 4.29Å; E271-D274 PolarHBondContact N-OD2 3.3Å; E271-D274 WeakPolarHBondContact O-CB 3.48Å; E271-D274 PolarHBondContact O-N 2.87Å; E271-D274 VanDerWaalsContact O-N 3.13Å; L272-D274 VanDerWaalsContact C-N 3.3Å; L272-D274 PolarHBondContact O-N 3.41Å; D274-G278 PolarHBondContact O-N 3.43Å; D274-T279 VanDerWaalsContact CA-OG1 3.32Å; D274-T279 WeakPolarHBondContact CA-OG1 3.43Å; D274-T279 WeakPolarHBondContact CB-OG1 3.47Å; D274-T279 PolarHBondContact O-N 3.35Å; D274-T279 PolarHBondContact O-OG1 2.97Å; D274-K280 HydrophobicContact CB-CB 3.75Å; D274-K280 HydrophobicContact CB-CG 3.53Å; D274-K280 PolarHBondContact O-N 3.09Å; D274-K280 VanDerWaalsContact O-N 3.17Å
275V98.6Very high97.9Very high14 Ų1455.5 Ų55.59%0.08531%0.311CS..Hα-helixtrans-70.8-41.4177.5-176.30000110.7L130 Y247 L272 G273 N277 G278 K280 A282L130-V275 HydrophobicContact CB-CG1 4.29Å; L130-V275 HydrophobicContact CD1-CG1 4.33Å; L130-V275 HydrophobicContact CD2-CG1 4.48Å; Y247-V275 HydrophobicContact CD1-CG2 3.77Å; Y247-V275 HydrophobicContact CE1-CG2 3.52Å; L272-V275 WeakPolarHBondContact O-CB 3.2Å; L272-V275 PolarHBondContact O-N 2.89Å; G273-V275 VanDerWaalsContact C-N 3.28Å; G273-V275 PolarHBondContact O-N 2.87Å; V275-N277 VanDerWaalsContact C-N 3.32Å; V275-N277 PolarHBondContact O-N 2.71Å; V275-G278 PolarHBondContact O-N 3.3Å; V275-G278 VanDerWaalsContact O-N 3.11Å; V275-K280 HydrophobicContact CG2-CB 4.49Å; V275-A282 HydrophobicContact CG1-CB 3.89Å
276I98.5Very high97.9Very high51 Ų5157.4 Ų57.426%0.26230%0.301SS..Hα-helixtrans-59.9-42.9175.7-68.9164.9000111L32 I126 L130 L272 G273 G278L32-I276 HydrophobicContact CB-CD1 3.62Å; L32-I276 HydrophobicContact CD1-CD1 3.96Å; L32-I276 HydrophobicContact CG-CD1 4.47Å; I126-I276 HydrophobicContact CG2-CD1 4.22Å; L130-I276 HydrophobicContact CD1-CD1 4.31Å; L130-I276 HydrophobicContact CD1-CG1 3.59Å; L272-I276 HydrophobicContact CG-CD1 4.47Å; L272-I276 WeakPolarHBondContact O-CG1 3.37Å; L272-I276 PolarHBondContact O-N 3.22Å; L272-I276 VanDerWaalsContact O-N 3.08Å; G273-I276 PolarHBondContact O-N 2.91Å; I276-G278 PolarHBondContact O-N 2.98Å
277N97.8Very high98Very high49 Ų4958.2 Ų58.226%0.26231%0.305SS..THydrogen-bonded Turntrans-75.7-9.4178.3-69.2-38.7000113.6G33 G273 V275 T279G33-N277 PolarHBondContact O-ND2 3.07Å; G273-N277 WeakPolarHBondContact O-CB 3.47Å; G273-N277 VanDerWaalsContact O-CG 3.3Å; G273-N277 PolarHBondContact O-N 2.88Å; G273-N277 PolarHBondContact O-ND2 3.43Å; G273-N277 VanDerWaalsContact O-ND2 3.1Å; V275-N277 VanDerWaalsContact C-N 3.32Å; V275-N277 PolarHBondContact O-N 2.71Å; N277-T279 HydrophobicContact CB-CG2 4.08Å; N277-T279 PolarHBondContact O-N 3.41Å
278G97.6Very high98Very high63 Ų6350.1 Ų50.165%0.64927%0.267SS*.THydrogen-bonded Turntrans7213.1-174.800000114.5D274 V275 I276 K280D274-G278 PolarHBondContact O-N 3.43Å; V275-G278 PolarHBondContact O-N 3.3Å; V275-G278 VanDerWaalsContact O-N 3.11Å; I276-G278 PolarHBondContact O-N 2.98Å; G278-K280 VanDerWaalsContact C-N 3.34Å
279T97.3Very high98.1Very high93 Ų9349.9 Ų49.957%0.57127%0.266SS*.SBendtrans-81.3-17.8176.8600000112.3D274 N277D274-T279 VanDerWaalsContact CA-OG1 3.32Å; D274-T279 WeakPolarHBondContact CA-OG1 3.43Å; D274-T279 WeakPolarHBondContact CB-OG1 3.47Å; D274-T279 PolarHBondContact O-N 3.35Å; D274-T279 PolarHBondContact O-OG1 2.97Å; N277-T279 HydrophobicContact CB-CG2 4.08Å; N277-T279 PolarHBondContact O-N 3.41Å
280K98.1Very high98.1Very high87 Ų8746.6 Ų46.638%0.37825%0.251SS..SBendtrans-130.7145.7170.9-68.5-69.4-176.7-176.80111.3A270 D274 V275 G278A270-K280 HydrophobicContact CB-CB 3.72Å; A270-K280 HydrophobicContact CB-CD 4.35Å; A270-K280 HydrophobicContact CB-CG 3.67Å; D274-K280 HydrophobicContact CB-CB 3.75Å; D274-K280 HydrophobicContact CB-CG 3.53Å; D274-K280 PolarHBondContact O-N 3.09Å; D274-K280 VanDerWaalsContact O-N 3.17Å; V275-K280 HydrophobicContact CG2-CB 4.49Å; G278-K280 VanDerWaalsContact C-N 3.34Å
281P98.2Very high98.1Very high70 Ų7046.6 Ų46.646%0.45525%0.251SS..  trans-75154.818032.4-35.7000111.8Y247 F269Y247-P281 PolarHBondContact OH-O 3.23Å; Y247-P281 VanDerWaalsContact OH-O 3.12Å; F269-P281 HydrophobicContact CE1-CG 4.17Å; F269-P281 HydrophobicContact CZ-CG 3.89Å
282A98.3Very high98.1Very high36 Ų3645.7 Ų45.730%0.29825%0.247SC..  trans-91.6107.4166.800000110.2L130 L131 V275 R284L130-A282 VanDerWaalsContact O-CB 3.32Å; L130-A282 WeakPolarHBondContact O-CB 3.28Å; L131-A282 HydrophobicContact CD2-CB 3.97Å; V275-A282 HydrophobicContact CG1-CB 3.89Å; A282-R284 HydrophobicContact CB-CG 4.2Å; A282-R284 PolarHBondContact O-N 2.76Å
283E98.1Very high98Very high50 Ų5046.3 Ų46.323%0.23425%0.25CS..  trans-79.856.6-177.2-65-77162.200112.9V245 Y247 F269 E285 K286 T288V245-E283 HydrophobicContact CB-CB 4.36Å; V245-E283 HydrophobicContact CG1-CB 4.31Å; V245-E283 HydrophobicContact CG1-CG 4.16Å; V245-E283 HydrophobicContact CG2-CB 4.03Å; V245-E283 HydrophobicContact CG2-CG 4.26Å; Y247-E283 WeakPolarHBondContact OH-CB 3.09Å; Y247-E283 WeakPolarHBondContact OH-CG 3.18Å; Y247-E283 PolarHBondContact OH-N 3.1Å; Y247-E283 VanDerWaalsContact OH-N 3.07Å; F269-E283 HydrophobicContact CE1-CG 4.32Å; F269-E283 HydrophobicContact CZ-CG 4.38Å; E283-E285 PolarHBondContact O-N 3.37Å; E283-E285 VanDerWaalsContact O-N 3.16Å; E283-K286 HydrophobicContact CB-CB 4.48Å; E283-K286 HydrophobicContact CB-CD 4.32Å; E283-K286 PolarHBondContact O-N 2.9Å; E283-K286 VanDerWaalsContact O-N 3.07Å; E283-K286 WeakPolarHBondContact OE2-CD 3.39Å; E283-K286 VanDerWaalsContact OE2-CE 3.31Å; E283-K286 WeakPolarHBondContact OE2-CE 3.33Å; E283-K286 IonicContact OE2-NZ 2.75Å; E283-K286 PolarHBondContact OE2-NZ 2.76Å; E283-T288 HydrophobicContact CB-CG2 4.47Å; E283-T288 VanDerWaalsContact O-CG2 3.3Å; E283-T288 WeakPolarHBondContact O-CG2 3.48Å
284R96.5Very high97.9Very high116 Ų11646.5 Ų46.544%0.43825%0.252SS..THydrogen-bonded Turntrans-62.4-21.4-172.4-62.7179.4-180180-4.1115.4K129 L130 A282 K286K129-R284 PolarHBondContact O-NH2 2.92Å; L130-R284 PolarHBondContact O-NE 3.05Å; L130-R284 PolarHBondContact O-NH2 3.39Å; L130-R284 VanDerWaalsContact O-NH2 3.12Å; A282-R284 HydrophobicContact CB-CG 4.2Å; A282-R284 PolarHBondContact O-N 2.76Å; R284-K286 VanDerWaalsContact C-N 3.31Å
285E94.6Very high97.9Very high190 Ų19046.5 Ų46.589%0.88825%0.252SS*.THydrogen-bonded Turntrans-82.5-12.9179.1-61.8-176.5172.900112.5E283E283-E285 PolarHBondContact O-N 3.37Å; E283-E285 VanDerWaalsContact O-N 3.16Å
286K97.9Very high97.8Very high105 Ų10545.9 Ų45.946%0.45725%0.249SC..SBendtrans-102.1161.8179-65.6177.2-177.2152.10110.3V245 E283 R284 T288V245-K286 HydrophobicContact CG2-CB 4.02Å; V245-K286 HydrophobicContact CG2-CD 3.63Å; V245-K286 HydrophobicContact CG2-CG 4.48Å; E283-K286 HydrophobicContact CB-CB 4.48Å; E283-K286 HydrophobicContact CB-CD 4.32Å; E283-K286 PolarHBondContact O-N 2.9Å; E283-K286 VanDerWaalsContact O-N 3.07Å; E283-K286 WeakPolarHBondContact OE2-CD 3.39Å; E283-K286 VanDerWaalsContact OE2-CE 3.31Å; E283-K286 WeakPolarHBondContact OE2-CE 3.33Å; E283-K286 IonicContact OE2-NZ 2.75Å; E283-K286 PolarHBondContact OE2-NZ 2.76Å; R284-K286 VanDerWaalsContact C-N 3.31Å; K286-T288 PolarHBondContact O-N 2.87Å
287T98.8Very high97.8Very high27 Ų2743.5 Ų43.517%0.16624%0.237CC..  trans-63.7125164.9-57.40000108.4V217 G220 A221 L240 A244 V245V217-T287 HydrophobicContact CG1-CG2 3.93Å; G220-T287 PolarHBondContact N-OG1 3.17Å; A221-T287 WeakPolarHBondContact O-CA 3.43Å; L240-T287 HydrophobicContact CD1-CG2 3.97Å; A244-T287 CarbonylContact C-O 3.58Å; A244-T287 VanDerWaalsContact CA-O 3.28Å; A244-T287 WeakPolarHBondContact CA-O 3.49Å; A244-T287 HydrophobicContact CB-CG2 4.11Å; A244-T287 WeakPolarHBondContact CB-O 3.4Å; V245-T287 PolarHBondContact N-O 3.05Å
288T98.9Very high97.9Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-118.5143.3-178.656.90000110.5A221 H222 V223 V245 Y247 E283 K286A221-T288 PolarHBondContact O-N 2.98Å; H222-T288 PolarHBondContact ND1-OG1 3.36Å; V223-T288 PolarHBondContact N-O 3.23Å; V245-T288 HydrophobicContact CB-CG2 4.37Å; V245-T288 WeakPolarHBondContact O-CA 3.48Å; Y247-T288 HydrophobicContact CE2-CG2 3.92Å; E283-T288 HydrophobicContact CB-CG2 4.47Å; E283-T288 VanDerWaalsContact O-CG2 3.3Å; E283-T288 WeakPolarHBondContact O-CG2 3.48Å; K286-T288 PolarHBondContact O-N 2.87Å
289V98.9Very high97.9Very high0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-121.1121.8171.7170.50000107.2V223 A225 L236 L240 M241 A244 V245 V246 Y247V223-V289 HydrophobicContact CB-CG2 4.09Å; V223-V289 HydrophobicContact CG2-CG2 4.42Å; V223-V289 CarbonylContact O-C 3.33Å; V223-V289 WeakPolarHBondContact O-CA 3.46Å; A225-V289 HydrophobicContact CB-CG1 4.42Å; L236-V289 HydrophobicContact CD1-CG1 3.75Å; L236-V289 HydrophobicContact CD1-CG2 4.35Å; L240-V289 HydrophobicContact CD1-CG2 4.22Å; L240-V289 HydrophobicContact CD2-CG2 4.44Å; L240-V289 HydrophobicContact CG-CG2 4.09Å; M241-V289 HydrophobicContact SD-CG1 4.13Å; A244-V289 HydrophobicContact CB-CB 4.29Å; A244-V289 HydrophobicContact CB-CG2 3.59Å; V245-V289 PolarHBondContact O-N 3.01Å; V246-V289 CarbonylContact C-O 3.58Å; V246-V289 WeakPolarHBondContact CA-O 3.45Å; Y247-V289 PolarHBondContact N-O 3.17Å
290F98.9Very high98Very high0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-98110.7163.2170.1-115.9000108.7V123 S127 L131 V223 A225 Y247 D249 L272V123-F290 HydrophobicContact CG1-CE1 3.84Å; V123-F290 HydrophobicContact CG1-CZ 3.55Å; S127-F290 VanDerWaalsContact CB-CG 3.43Å; S127-F290 WeakPolarHBondContact OG-CD1 3.34Å; L131-F290 HydrophobicContact CD1-CB 4.44Å; V223-F290 PolarHBondContact O-N 2.97Å; A225-F290 PolarHBondContact N-O 3.21Å; Y247-F290 CarbonylContact O-C 3.53Å; Y247-F290 WeakPolarHBondContact O-CA 3.46Å; D249-F290 HydrophobicContact CB-CE2 4.24Å; D249-F290 HydrophobicContact CB-CZ 4.19Å; L272-F290 HydrophobicContact CB-CD2 4.46Å; L272-F290 HydrophobicContact CB-CE2 3.98Å; L272-F290 HydrophobicContact CD2-CD2 4.32Å; L272-F290 HydrophobicContact CD2-CE1 4.49Å; L272-F290 HydrophobicContact CD2-CE2 3.82Å; L272-F290 HydrophobicContact CD2-CZ 3.92Å; L272-F290 HydrophobicContact CG-CE2 4.41Å
291K98.8Very high98Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-90.4113.1173.9179.970.2-161.4-171.30109.5A225 G227 A228 Y247 T248 D249 S258 D260 V261A225-K291 HydrophobicContact CB-CD 4.19Å; G227-K291 PolarHBondContact O-NZ 2.84Å; A228-K291 PolarHBondContact O-NZ 3.41Å; Y247-K291 PolarHBondContact O-N 3.36Å; T248-K291 WeakPolarHBondContact CA-O 3.46Å; T248-K291 HydrophobicContact CG2-CB 4.28Å; D249-K291 PolarHBondContact N-O 2.88Å; S258-K291 WeakPolarHBondContact OG-CD 3.38Å; S258-K291 WeakPolarHBondContact OG-CE 3.12Å; D260-K291 HydrophobicContact CB-CD 4.41Å; D260-K291 IonicContact OD2-NZ 3.13Å; D260-K291 PolarHBondContact OD2-NZ 2.8Å; V261-K291 HydrophobicContact CG2-CG 4.31Å
292S98.4Very high98Very high2 Ų227 Ų271%0.01413%0.131CC..  trans-101132.1175.4-175.50000111A225 D249A225-S292 PolarHBondContact O-N 2.97Å; D249-S292 WeakPolarHBondContact OD2-CA 3.3Å
293L96.7Very high98Very high12 Ų1225.3 Ų25.36%0.06312%0.117CC..  trans-115.4-22.6171.5-68.7169.8000112R48 C229 D249 G253 A254 E257R48-L293 PolarHBondContact NH2-O 3.08Å; C229-L293 HydrophobicContact CB-CD2 3.9Å; D249-L293 PolarHBondContact OD2-N 2.87Å; G253-L293 VanDerWaalsContact O-CD1 3.24Å; G253-L293 WeakPolarHBondContact O-CD1 3.49Å; A254-L293 VanDerWaalsContact CA-CD1 3.46Å; A254-L293 HydrophobicContact CB-CD1 4.37Å; A254-L293 VanDerWaalsContact N-CD1 3.35Å; E257-L293 HydrophobicContact CB-CD1 3.9Å; E257-L293 HydrophobicContact CB-CD2 4.05Å
294G96.4Very high98.1Very high5 Ų524.4 Ų24.45%0.05211%0.113CC..  trans86.6127.7-177.100000112.6R48 M63 D249R48-G294 PolarHBondContact NH2-O 2.9Å; M63-G294 WeakPolarHBondContact CE-O 3.34Å; D249-G294 PolarHBondContact OD2-N 3.07Å
295M97.7Very high98.2Very high6 Ų619.8 Ų19.83%0.0310%0.097CC..  trans-107.3150.1-179.8-60.8-167.6-62.600112.1L32 F35 D249 V297 E298L32-M295 HydrophobicContact CD2-CE 3.26Å; F35-M295 HydrophobicContact CD1-CE 3.94Å; F35-M295 HydrophobicContact CD1-SD 3.7Å; F35-M295 HydrophobicContact CD2-SD 4.47Å; F35-M295 HydrophobicContact CE1-CE 4.38Å; F35-M295 HydrophobicContact CE1-SD 3.54Å; F35-M295 VanDerWaalsContact CE1-SD 3.54Å; F35-M295 HydrophobicContact CE2-SD 4.33Å; F35-M295 HydrophobicContact CG-CE 4.26Å; F35-M295 HydrophobicContact CG-SD 4.18Å; F35-M295 HydrophobicContact CZ-SD 3.88Å; D249-M295 VanDerWaalsContact C-SD 3.59Å; D249-M295 HydrophobicContact CB-CE 3.97Å; D249-M295 HydrophobicContact CB-CG 4.07Å; D249-M295 HydrophobicContact CB-SD 4.05Å; M295-V297 HydrophobicContact CB-CG1 3.96Å; M295-V297 HydrophobicContact CE-CG1 4.02Å; M295-V297 PolarHBondContact O-N 2.93Å; M295-E298 HydrophobicContact CB-CG 4.14Å; M295-E298 WeakPolarHBondContact CB-OE1 3.43Å; M295-E298 PolarHBondContact N-OE1 2.8Å; M295-E298 WeakPolarHBondContact O-CB 3.43Å; M295-E298 PolarHBondContact O-N 2.88Å
296G98.1Very high98.4Very high2 Ų210.8 Ų10.82%0.0216%0.055CC..Hα-helixtrans-64-30.8178.900000112.7M63 T65 E298 D299 A300M63-G296 VanDerWaalsContact CE-N 3.32Å; T65-G296 WeakPolarHBondContact OG1-CA 3.39Å; G296-E298 PolarHBondContact O-N 2.86Å; G296-D299 CarbonylContact O-C 3.55Å; G296-D299 WeakPolarHBondContact O-CB 3.37Å; G296-D299 PolarHBondContact O-N 2.83Å; G296-D299 VanDerWaalsContact O-N 3.07Å; G296-A300 WeakPolarHBondContact O-CB 3.45Å; G296-A300 PolarHBondContact O-N 2.82Å
297V98.4Very high98.4Very high0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-60.1-36175.773.60000111.8A31 F35 V43 T65 M67 M295 D299 A300 V301A31-V297 HydrophobicContact CB-CG2 4.03Å; F35-V297 HydrophobicContact CB-CG1 4.46Å; V43-V297 HydrophobicContact CG1-CB 4.11Å; V43-V297 HydrophobicContact CG1-CG2 3.78Å; V43-V297 HydrophobicContact CG2-CG2 4.39Å; T65-V297 HydrophobicContact CG2-CB 3.84Å; T65-V297 HydrophobicContact CG2-CG2 4.11Å; T65-V297 PolarHBondContact OG1-N 3.31Å; M67-V297 HydrophobicContact CE-CG2 3.86Å; M67-V297 HydrophobicContact CG-CG2 4.1Å; M67-V297 HydrophobicContact SD-CG2 3.65Å; M295-V297 HydrophobicContact CB-CG1 3.96Å; M295-V297 HydrophobicContact CE-CG1 4.02Å; M295-V297 PolarHBondContact O-N 2.93Å; V297-D299 VanDerWaalsContact C-N 3.34Å; V297-A300 PolarHBondContact O-N 2.94Å; V297-V301 WeakPolarHBondContact O-CG2 3.36Å; V297-V301 PolarHBondContact O-N 3.08Å; V297-V301 VanDerWaalsContact O-N 3.08Å
298E98.8Very high98.3Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-66.4-39.8176.4-58163.3-15300110.8L28 L32 R119 V123 M295 G296 S302L28-E298 HydrophobicContact CD2-CB 3.74Å; L28-E298 HydrophobicContact CD2-CG 4.13Å; L32-E298 HydrophobicContact CD2-CG 4.47Å; R119-E298 WeakPolarHBondContact CD-OE2 3.43Å; R119-E298 IonicContact CZ-OE2 3.91Å; R119-E298 IonicContact NE-OE2 3.85Å; R119-E298 IonicContact NH1-OE2 3.99Å; R119-E298 PolarHBondContact NH1-OE2 3.04Å; V123-E298 HydrophobicContact CG2-CG 4.03Å; M295-E298 HydrophobicContact CB-CG 4.14Å; M295-E298 WeakPolarHBondContact CB-OE1 3.43Å; M295-E298 PolarHBondContact N-OE1 2.8Å; M295-E298 WeakPolarHBondContact O-CB 3.43Å; M295-E298 PolarHBondContact O-N 2.88Å; G296-E298 PolarHBondContact O-N 2.86Å; E298-S302 VanDerWaalsContact O-CB 3.3Å; E298-S302 WeakPolarHBondContact O-CB 3.21Å; E298-S302 PolarHBondContact O-N 2.95Å; E298-S302 PolarHBondContact O-OG 2.93Å
299D98.6Very high98.3Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-70.8-37.4175.8-53.4-62.1000111M63 K76 R119 G296 V297 S302 A303M63-D299 WeakPolarHBondContact CE-OD2 3.36Å; K76-D299 HydrophobicContact CB-CB 4.26Å; K76-D299 HydrophobicContact CD-CB 4.36Å; K76-D299 WeakPolarHBondContact CD-OD1 3.13Å; K76-D299 WeakPolarHBondContact CD-OD2 3.4Å; K76-D299 WeakPolarHBondContact CE-OD2 3.21Å; K76-D299 IonicContact NZ-OD1 2.81Å; K76-D299 PolarHBondContact NZ-OD1 3.07Å; K76-D299 IonicContact NZ-OD2 2.67Å; K76-D299 PolarHBondContact NZ-OD2 2.98Å; R119-D299 IonicContact CZ-OD1 2.69Å; R119-D299 IonicContact NE-OD1 2.99Å; R119-D299 PolarHBondContact NE-OD1 2.87Å; G296-D299 CarbonylContact O-C 3.55Å; G296-D299 WeakPolarHBondContact O-CB 3.37Å; G296-D299 PolarHBondContact O-N 2.83Å; G296-D299 VanDerWaalsContact O-N 3.07Å; V297-D299 VanDerWaalsContact C-N 3.34Å; D299-S302 PolarHBondContact O-N 3.44Å; D299-A303 VanDerWaalsContact O-CB 3.28Å; D299-A303 WeakPolarHBondContact O-CB 3.5Å; D299-A303 PolarHBondContact O-N 2.87Å
300A98.6Very high98.2Very high0 Ų016 Ų160%08%0.079CC..Hα-helixtrans-61.3-52.7-179.400000111.9T65 V72 S74 G296 V297 S302 A303 Q304T65-A300 HydrophobicContact CG2-CB 4.25Å; V72-A300 HydrophobicContact CG1-CB 4.01Å; S74-A300 VanDerWaalsContact OG-CA 3.23Å; S74-A300 WeakPolarHBondContact OG-CA 3.36Å; S74-A300 WeakPolarHBondContact OG-CB 3.42Å; G296-A300 WeakPolarHBondContact O-CB 3.45Å; G296-A300 PolarHBondContact O-N 2.82Å; V297-A300 PolarHBondContact O-N 2.94Å; A300-S302 VanDerWaalsContact C-N 3.31Å; A300-S302 PolarHBondContact O-N 3.1Å; A300-A303 PolarHBondContact O-N 2.95Å; A300-Q304 WeakPolarHBondContact O-CB 3.43Å; A300-Q304 PolarHBondContact O-N 3.11Å
301V98.6Very high98.1Very high17 Ų1718.5 Ų18.510%0.10310%0.095CC..Hα-helixtrans-68.8-32.5178.8-60.30000112.3L28 A31 M67 V297 L305L28-V301 HydrophobicContact CD2-CG2 3.74Å; L28-V301 HydrophobicContact CG-CG2 4.41Å; A31-V301 HydrophobicContact CB-CG1 3.79Å; A31-V301 HydrophobicContact CB-CG2 4.01Å; M67-V301 HydrophobicContact CE-CG1 3.82Å; M67-V301 HydrophobicContact SD-CG1 3.42Å; M67-V301 WeakPolarHBondContact SD-CG1 3.31Å; V297-V301 WeakPolarHBondContact O-CG2 3.36Å; V297-V301 PolarHBondContact O-N 3.08Å; V297-V301 VanDerWaalsContact O-N 3.08Å; V301-L305 WeakPolarHBondContact O-CB 3.19Å; V301-L305 PolarHBondContact O-N 2.89Å
302S98.8Very high97.9Very high0 Ų020.5 Ų20.50%011%0.112CC..Hα-helixtrans-65.4-46.7174.8-59.90000111.2L24 R119 E298 D299 A300 L305 V306L24-S302 VanDerWaalsContact CD1-OG 3.28Å; L24-S302 WeakPolarHBondContact CD1-OG 3.18Å; R119-S302 WeakPolarHBondContact CB-OG 3.29Å; E298-S302 VanDerWaalsContact O-CB 3.3Å; E298-S302 WeakPolarHBondContact O-CB 3.21Å; E298-S302 PolarHBondContact O-N 2.95Å; E298-S302 PolarHBondContact O-OG 2.93Å; D299-S302 PolarHBondContact O-N 3.44Å; A300-S302 VanDerWaalsContact C-N 3.31Å; A300-S302 PolarHBondContact O-N 3.1Å; S302-L305 PolarHBondContact O-N 3.45Å; S302-V306 VanDerWaalsContact O-CG2 3.31Å; S302-V306 WeakPolarHBondContact O-CG2 3.31Å; S302-V306 PolarHBondContact O-N 2.82Å
303A98.6Very high97.6Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-65.5-43.1178.900000111.5V96 L98 M110 I115 D299 A300 L305 V306 F307V96-A303 HydrophobicContact CB-CB 4.33Å; V96-A303 HydrophobicContact CG1-CB 3.58Å; L98-A303 HydrophobicContact CD1-CB 4.17Å; L98-A303 HydrophobicContact CD2-CB 3.86Å; L98-A303 HydrophobicContact CG-CB 3.94Å; M110-A303 WeakPolarHBondContact CE-O 3.25Å; M110-A303 HydrophobicContact SD-CB 3.76Å; I115-A303 HydrophobicContact CD1-CB 4.22Å; D299-A303 VanDerWaalsContact O-CB 3.28Å; D299-A303 WeakPolarHBondContact O-CB 3.5Å; D299-A303 PolarHBondContact O-N 2.87Å; A300-A303 PolarHBondContact O-N 2.95Å; A303-L305 VanDerWaalsContact C-N 3.33Å; A303-L305 PolarHBondContact O-N 2.82Å; A303-V306 PolarHBondContact O-N 2.94Å; A303-F307 WeakPolarHBondContact O-CB 3.45Å; A303-F307 PolarHBondContact O-N 3.11Å
304Q98.6Very high97.2Very high31 Ų3130.5 Ų30.515%0.14516%0.156CC..Hα-helixtrans-60-44.2175.8-172.261.254.500111.1V72 A300 V306 F307 D308V72-Q304 HydrophobicContact CG1-CB 4.2Å; V72-Q304 HydrophobicContact CG2-CB 4.17Å; V72-Q304 HydrophobicContact CG2-CG 3.85Å; A300-Q304 WeakPolarHBondContact O-CB 3.43Å; A300-Q304 PolarHBondContact O-N 3.11Å; Q304-V306 PolarHBondContact O-N 3.22Å; Q304-F307 WeakPolarHBondContact O-CB 3.3Å; Q304-F307 PolarHBondContact O-N 2.72Å; Q304-F307 VanDerWaalsContact O-N 3.17Å; Q304-D308 PolarHBondContact NE2-OD1 3.2Å; Q304-D308 PolarHBondContact O-N 2.75Å
305L98.6Very high96.5Very high19 Ų1935.1 Ų35.110%0.09918%0.183CC..Hα-helixtrans-59.5-43.9175.2175.961.6000112.3L19 D23 L24 V301 S302 A303 F307 Q309L19-L305 HydrophobicContact CD1-CD2 3.82Å; L19-L305 HydrophobicContact CD1-CG 4.3Å; D23-L305 HydrophobicContact CB-CD1 4.43Å; D23-L305 HydrophobicContact CB-CD2 4.11Å; L24-L305 HydrophobicContact CB-CD2 4.09Å; L24-L305 HydrophobicContact CD1-CD2 4.36Å; V301-L305 WeakPolarHBondContact O-CB 3.19Å; V301-L305 PolarHBondContact O-N 2.89Å; S302-L305 PolarHBondContact O-N 3.45Å; A303-L305 VanDerWaalsContact C-N 3.33Å; A303-L305 PolarHBondContact O-N 2.82Å; L305-F307 VanDerWaalsContact C-N 3.32Å; L305-F307 PolarHBondContact O-N 3.47Å; L305-Q309 HydrophobicContact CD1-CG 3.97Å; L305-Q309 WeakPolarHBondContact O-CB 3.33Å; L305-Q309 WeakPolarHBondContact O-CG 3.24Å; L305-Q309 PolarHBondContact O-N 2.97Å; L305-Q309 VanDerWaalsContact O-N 3.11Å
306V98.7Very high95Very high0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-60.2-45.5175.7171.80000110.4I10 V15 V18 L19 M110 I115 S302 A303 Q304 Q309 W310I10-V306 HydrophobicContact CG2-CG1 4.04Å; V15-V306 HydrophobicContact CB-CG1 4.49Å; V15-V306 HydrophobicContact CG1-CG1 4.38Å; V15-V306 HydrophobicContact CG1-CG2 3.96Å; V15-V306 HydrophobicContact CG2-CG1 4.09Å; V18-V306 HydrophobicContact CG2-CB 4.4Å; V18-V306 HydrophobicContact CG2-CG1 3.89Å; L19-V306 HydrophobicContact CB-CG2 4.07Å; L19-V306 HydrophobicContact CD1-CG2 3.94Å; L19-V306 HydrophobicContact CD2-CG2 4.04Å; L19-V306 HydrophobicContact CG-CG2 4.23Å; M110-V306 HydrophobicContact CE-CB 3.79Å; M110-V306 HydrophobicContact CE-CG1 3.49Å; M110-V306 VanDerWaalsContact CE-CG1 3.49Å; M110-V306 HydrophobicContact SD-CB 4.16Å; M110-V306 HydrophobicContact SD-CG1 4.07Å; I115-V306 HydrophobicContact CD1-CG2 4.45Å; I115-V306 HydrophobicContact CG1-CG2 4.4Å; S302-V306 VanDerWaalsContact O-CG2 3.31Å; S302-V306 WeakPolarHBondContact O-CG2 3.31Å; S302-V306 PolarHBondContact O-N 2.82Å; A303-V306 PolarHBondContact O-N 2.94Å; Q304-V306 PolarHBondContact O-N 3.22Å; V306-Q309 PolarHBondContact O-N 3.34Å; V306-W310 WeakPolarHBondContact O-CB 3.37Å; V306-W310 PolarHBondContact O-N 2.94Å
307F98.2Very high92.7Very high40 Ų4051.7 Ų51.718%0.17528%0.275CS..Hα-helixtrans-62.4-49.2-176.8-176.5-104.8000110.6V8 I10 L98 A108 M110 A303 Q304 L305 Q309 W310 T311V8-F307 HydrophobicContact CG2-CD2 4.3Å; V8-F307 HydrophobicContact CG2-CE2 3.81Å; I10-F307 HydrophobicContact CD1-CD2 4.09Å; L98-F307 HydrophobicContact CD1-CB 3.62Å; L98-F307 HydrophobicContact CD1-CD2 4.43Å; L98-F307 HydrophobicContact CD1-CG 4.01Å; A108-F307 HydrophobicContact CB-CD2 3.74Å; A108-F307 HydrophobicContact CB-CE2 3.98Å; M110-F307 HydrophobicContact CE-CB 3.64Å; M110-F307 HydrophobicContact CE-CD2 4.3Å; M110-F307 HydrophobicContact CE-CG 4.48Å; A303-F307 WeakPolarHBondContact O-CB 3.45Å; A303-F307 PolarHBondContact O-N 3.11Å; Q304-F307 WeakPolarHBondContact O-CB 3.3Å; Q304-F307 PolarHBondContact O-N 2.72Å; Q304-F307 VanDerWaalsContact O-N 3.17Å; L305-F307 VanDerWaalsContact C-N 3.32Å; L305-F307 PolarHBondContact O-N 3.47Å; F307-Q309 PolarHBondContact O-N 2.87Å; F307-W310 PolarHBondContact O-N 2.8Å; F307-T311 WeakPolarHBondContact O-CB 2.96Å; F307-T311 PolarHBondContact O-N 2.9Å; F307-T311 PolarHBondContact O-OG1 3.24Å; F307-T311 VanDerWaalsContact O-OG1 3.09Å
308D97.7Very high92.4Very high84 Ų8454.3 Ų54.345%0.44929%0.289SS..Hα-helixtrans-60.7-45-179.8-63.8-19.4000111.7Q304 A312Q304-D308 PolarHBondContact NE2-OD1 3.2Å; Q304-D308 PolarHBondContact O-N 2.75Å; D308-A312 VanDerWaalsContact O-CB 3.29Å; D308-A312 WeakPolarHBondContact O-CB 3.44Å; D308-A312 PolarHBondContact O-N 3.22Å
309Q97.7Very high92.1Very high79 Ų7957.1 Ų57.137%0.36930%0.304SS..Hα-helixtrans-69.6-37.8179.8-67.5-71.4-10.300112.4V18 L305 V306 F307 K313V18-Q309 HydrophobicContact CB-CB 3.81Å; V18-Q309 HydrophobicContact CG1-CB 4.34Å; V18-Q309 HydrophobicContact CG2-CB 4.27Å; L305-Q309 HydrophobicContact CD1-CG 3.97Å; L305-Q309 WeakPolarHBondContact O-CB 3.33Å; L305-Q309 WeakPolarHBondContact O-CG 3.24Å; L305-Q309 PolarHBondContact O-N 2.97Å; L305-Q309 VanDerWaalsContact O-N 3.11Å; V306-Q309 PolarHBondContact O-N 3.34Å; F307-Q309 PolarHBondContact O-N 2.87Å; Q309-K313 WeakPolarHBondContact O-CB 3.1Å; Q309-K313 PolarHBondContact O-N 2.87Å; Q309-K313 VanDerWaalsContact O-N 3.1Å
310W97.8Very high91.7Very high39 Ų3960.3 Ų60.315%0.14832%0.321CS..Hα-helixtrans-64.7-49.5175.5177.190.2000110.6V8 I10 E14 V306 F307 A312 K313 E314V8-W310 HydrophobicContact CB-CH2 4Å; V8-W310 HydrophobicContact CB-CZ3 4.27Å; V8-W310 HydrophobicContact CG1-CH2 3.87Å; V8-W310 HydrophobicContact CG1-CZ3 4.11Å; V8-W310 HydrophobicContact CG2-CH2 4.3Å; V8-W310 HydrophobicContact CG2-CZ3 4.09Å; I10-W310 HydrophobicContact CD1-CB 4.07Å; I10-W310 HydrophobicContact CD1-CD2 3.64Å; I10-W310 HydrophobicContact CD1-CE3 3.8Å; I10-W310 HydrophobicContact CD1-CG 3.75Å; I10-W310 HydrophobicContact CG1-CD2 3.86Å; I10-W310 HydrophobicContact CG1-CE3 4.34Å; I10-W310 HydrophobicContact CG1-CG 4.02Å; I10-W310 HydrophobicContact CG1-CZ2 4.41Å; I10-W310 HydrophobicContact CG2-CG 4.32Å; E14-W310 PolarHBondContact OE1-NE1 3.07Å; V306-W310 WeakPolarHBondContact O-CB 3.37Å; V306-W310 PolarHBondContact O-N 2.94Å; F307-W310 PolarHBondContact O-N 2.8Å; W310-A312 VanDerWaalsContact C-N 3.31Å; W310-A312 PolarHBondContact O-N 3.07Å; W310-K313 WeakPolarHBondContact O-CA 3.48Å; W310-K313 WeakPolarHBondContact O-CB 3.36Å; W310-K313 PolarHBondContact O-N 3.25Å; W310-E314 HydrophobicContact CD2-CG 4.03Å; W310-E314 HydrophobicContact CE3-CG 4.42Å; W310-E314 HydrophobicContact CH2-CG 4.16Å; W310-E314 HydrophobicContact CZ2-CG 3.77Å; W310-E314 HydrophobicContact CZ3-CG 4.47Å; W310-E314 PolarHBondContact O-N 2.94Å
311T96.3Very high91.3Very high52 Ų5263.8 Ų63.832%0.31934%0.339SS..Hα-helixtrans-59.7-41.5176.5-60.80000111.7F307 K313 E314 T315F307-T311 WeakPolarHBondContact O-CB 2.96Å; F307-T311 PolarHBondContact O-N 2.9Å; F307-T311 PolarHBondContact O-OG1 3.24Å; F307-T311 VanDerWaalsContact O-OG1 3.09Å; T311-K313 PolarHBondContact O-N 3.08Å; T311-E314 PolarHBondContact O-N 3.34Å; T311-T315 HydrophobicContact CG2-CG2 4.36Å; T311-T315 WeakPolarHBondContact O-CB 3.39Å; T311-T315 WeakPolarHBondContact O-CG2 3.31Å; T311-T315 PolarHBondContact O-N 3.29Å; T311-T315 VanDerWaalsContact O-N 3.07Å; T311-T315 PolarHBondContact O-OG1 3.11Å
312A94.9Very high90.9Very high43 Ų4366.8 Ų66.836%0.35535%0.354SS..Hα-helixtrans-66-21.7176.100000113.7D308 W310 K316D308-A312 VanDerWaalsContact O-CB 3.29Å; D308-A312 WeakPolarHBondContact O-CB 3.44Å; D308-A312 PolarHBondContact O-N 3.22Å; W310-A312 VanDerWaalsContact C-N 3.31Å; W310-A312 PolarHBondContact O-N 3.07Å; A312-K316 WeakPolarHBondContact O-CG 3.49Å
313K92.2Very high90.4Very high108 Ų10871.2 Ų71.247%0.4738%0.378SS..Hα-helixtrans-84.8-42.5175.8-172.2-175.9175.4-164.70111.4S17 V18 Q309 W310 T311 T315 K316S17-K313 PolarHBondContact OG-NZ 3.09Å; V18-K313 HydrophobicContact CG1-CD 4.26Å; Q309-K313 WeakPolarHBondContact O-CB 3.1Å; Q309-K313 PolarHBondContact O-N 2.87Å; Q309-K313 VanDerWaalsContact O-N 3.1Å; W310-K313 WeakPolarHBondContact O-CA 3.48Å; W310-K313 WeakPolarHBondContact O-CB 3.36Å; W310-K313 PolarHBondContact O-N 3.25Å; T311-K313 PolarHBondContact O-N 3.08Å; K313-T315 VanDerWaalsContact C-N 3.28Å; K313-T315 PolarHBondContact O-N 2.93Å; K313-K316 PolarHBondContact O-N 3Å
314E87.6Confident89.8Confident116 Ų11676.3 Ų76.354%0.54241%0.405SS..Hα-helixtrans-69.4-24.6178.4-67.3-57.6121.900113.2W310 T311W310-E314 HydrophobicContact CD2-CG 4.03Å; W310-E314 HydrophobicContact CE3-CG 4.42Å; W310-E314 HydrophobicContact CH2-CG 4.16Å; W310-E314 HydrophobicContact CZ2-CG 3.77Å; W310-E314 HydrophobicContact CZ3-CG 4.47Å; W310-E314 PolarHBondContact O-N 2.94Å; T311-E314 PolarHBondContact O-N 3.34Å
315T81.3Confident89.1Confident102 Ų10279.8 Ų79.863%0.62643%0.425SS*.THydrogen-bonded Turntrans-89.5-1.6178.351.20000114T311 K313T311-T315 HydrophobicContact CG2-CG2 4.36Å; T311-T315 WeakPolarHBondContact O-CB 3.39Å; T311-T315 WeakPolarHBondContact O-CG2 3.31Å; T311-T315 PolarHBondContact O-N 3.29Å; T311-T315 VanDerWaalsContact O-N 3.07Å; T311-T315 PolarHBondContact O-OG1 3.11Å; K313-T315 VanDerWaalsContact C-N 3.28Å; K313-T315 PolarHBondContact O-N 2.93Å
316K68.1Low88.3Confident156 Ų15684.8 Ų84.868%0.67845%0.452SS*.  trans-80.4126173.1-79.5173.4-175.5178.40109.7A312 K313A312-K316 WeakPolarHBondContact O-CG 3.49Å; K313-K316 PolarHBondContact O-N 3Å
317P49.2Very low87.4Confident199 Ų19992.5 Ų92.5100%1.29249%0.493SS*.  trans-66.70178.627.9-33.6000113.1

Retrieved 317 of 317 residues in 63.8 ms (Link to these results)

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