A0A3Q2CAP7_CYPVA Loading...

VPS26, retromer complex component B

AlphaFold DB , UniProt , Accession A0A3Q2CAP7, Species CYPVA (Cyprinodon variegatus, Sheepshead minnow), Gene n/a, Length 333 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
1M36.1Very low63.3Low221 Ų221109.2 Ų109.2100%1.08958%0.579SS**  097.60-72.2-71.4-110.700107.8F3M1-F3 PolarHBondContact O-N 2.74Å; M1-F3 VanDerWaalsContact O-N 3.16Å
2S35.1Very low66.2Low107 Ų107100.9 Ų100.975%0.74854%0.535SS*.  trans-75.9101.7179.4-150.30000108.3F4S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 3.44Å
3F40.2Very low68.6Low195 Ų19599.2 Ų99.286%0.85553%0.526SS*.  trans-72.889.9172-88.8-94.1000108.2M1 S5M1-F3 PolarHBondContact O-N 2.74Å; M1-F3 VanDerWaalsContact O-N 3.16Å; F3-S5 PolarHBondContact O-N 3.27Å
4F43.8Very low70.7Confident173 Ų17392.7 Ų92.776%0.75949%0.492SS*.  trans-64.788.2160.3-81.8-88000107.9S2 F6S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 3.44Å; F4-F6 PolarHBondContact O-N 3.46Å
5S45.6Very low72.5Confident100 Ų10090.3 Ų90.370%0.69948%0.482SS*.  trans-64.4101.9166-179.30000107.3F3 G7F3-S5 PolarHBondContact O-N 3.27Å; S5-G7 PolarHBondContact O-N 3.21Å
6F60.8Low74.1Confident177 Ų17784.9 Ų84.978%0.77645%0.453SS*.  trans-59.4110.5168.4-82.6-95.1000107.8F4F4-F6 PolarHBondContact O-N 3.46Å
7G71.9Confident75.5Confident51 Ų5185.6 Ų85.653%0.52646%0.457SS..  trans-61.5166.2176.800000112S5 S9S5-G7 PolarHBondContact O-N 3.21Å; G7-S9 PolarHBondContact O-N 3.23Å
8Q84.7Confident76.5Confident17 Ų1783.4 Ų83.48%0.07945%0.445CS..  trans-61.2140.1176.6-172.165.5-10.900111.3N56 K59 R60 L61 R136Q8-N56 PolarHBondContact NE2-O 2.88Å; Q8-N56 VanDerWaalsContact OE1-CB 3.22Å; Q8-N56 PolarHBondContact OE1-ND2 2.74Å; Q8-N56 PolarHBondContact OE1-O 3.15Å; Q8-K59 HydrophobicContact CB-CB 4.31Å; Q8-K59 HydrophobicContact CG-CB 4.21Å; Q8-K59 PolarHBondContact NE2-O 3.18Å; Q8-K59 VanDerWaalsContact OE1-CB 3.27Å; Q8-R60 VanDerWaalsContact CB-O 3.31Å; Q8-R60 WeakPolarHBondContact CB-O 3.31Å; Q8-R60 WeakPolarHBondContact CG-O 3.17Å; Q8-L61 HydrophobicContact CB-CD1 4.49Å; Q8-L61 HydrophobicContact CG-CB 3.85Å; Q8-L61 HydrophobicContact CG-CD1 4.28Å; Q8-R136 PolarHBondContact O-NH2 3.09Å; Q8-R136 VanDerWaalsContact O-NH2 3.17Å
9S88.9Confident77.4Confident33 Ų3380.4 Ų80.423%0.23143%0.434CS..  trans-142162.5177.6-1790000109.2G7 K55G7-S9 PolarHBondContact O-N 3.23Å; S9-K55 PolarHBondContact O-N 3.45Å
10A93.4Very high78.2Confident3 Ų386.3 Ų86.33%0.02546%0.458CS..EExtended strand (participates in β ladder)trans-127.9156.717500000110.4V52 T53 L54 L61 I141A10-V52 HydrophobicContact CB-CG1 3.66Å; A10-T53 CarbonylContact C-O 3.49Å; A10-T53 WeakPolarHBondContact CA-O 3.41Å; A10-T53 WeakPolarHBondContact CB-O 3.37Å; A10-L54 HydrophobicContact CB-CD2 4.38Å; A10-L61 HydrophobicContact CB-CD2 3.75Å; A10-I141 HydrophobicContact CB-CD1 4.42Å
11E95.7Very high79Confident124 Ų12487.9 Ų87.958%0.57947%0.471SS*.EExtended strand (participates in β ladder)trans-100.6137.5163.7-177.3168.7-169.400108.6T53E11-T53 PolarHBondContact N-O 2.89Å; E11-T53 PolarHBondContact O-N 3.27Å
12I97.8Very high81.8Confident10 Ų1079.2 Ų79.25%0.05143%0.427CS..EExtended strand (participates in β ladder)trans-112131.2179.1-57.5174.1000107.9V50 N51 A132 V134 I141 K143I12-V50 HydrophobicContact CG2-CG1 3.88Å; I12-N51 WeakPolarHBondContact CA-O 3.44Å; I12-A132 HydrophobicContact CG2-CB 3.58Å; I12-V134 HydrophobicContact CD1-CB 4.4Å; I12-V134 HydrophobicContact CD1-CG2 3.76Å; I12-V134 HydrophobicContact CG1-CG2 4.3Å; I12-I141 HydrophobicContact CD1-CB 4.18Å; I12-I141 HydrophobicContact CD1-CG2 3.74Å; I12-I141 WeakPolarHBondContact CD1-O 3.38Å; I12-I141 HydrophobicContact CG1-CG2 4.11Å; I12-K143 HydrophobicContact CB-CB 3.81Å; I12-K143 HydrophobicContact CG2-CB 3.85Å; I12-K143 WeakPolarHBondContact O-CG 3.49Å
13D97.6Very high84.7Confident79 Ų7979.1 Ų79.142%0.42241%0.413SS..EExtended strand (participates in β ladder)trans-128.1139.5172.1-178.944.9000110V15 N51D13-V15 WeakPolarHBondContact OD2-CG2 3.19Å; D13-N51 HydrophobicContact CB-CB 4.26Å; D13-N51 PolarHBondContact N-O 3.32Å; D13-N51 PolarHBondContact O-N 3.05Å
14V98.1Very high87.4Confident8 Ų875 Ų755%0.04840%0.395CS..EExtended strand (participates in β ladder)trans-118.4118.2-177.9-177.20000107.8V50 I68 F107 L130 A132 M145V14-V50 HydrophobicContact CG2-CG2 4.49Å; V14-I68 HydrophobicContact CG2-CD1 4.48Å; V14-F107 HydrophobicContact CG1-CE1 4.04Å; V14-F107 HydrophobicContact CG1-CZ 4.2Å; V14-L130 HydrophobicContact CG1-CB 4.39Å; V14-L130 HydrophobicContact CG1-CD1 4.17Å; V14-A132 HydrophobicContact CG2-CB 3.74Å; V14-M145 HydrophobicContact CB-CB 4.48Å; V14-M145 HydrophobicContact CB-CE 4.35Å; V14-M145 HydrophobicContact CB-SD 4.47Å; V14-M145 HydrophobicContact CG1-CE 3.76Å; V14-M145 HydrophobicContact CG1-SD 4.49Å; V14-M145 VanDerWaalsContact O-SD 3.4Å
15V97.9Very high89.8Confident56 Ų5667.8 Ų67.834%0.33936%0.364SS..EExtended strand (participates in β ladder)trans-121.1123.8-175.6-175.40000109.5D13 G48 K49D13-V15 WeakPolarHBondContact OD2-CG2 3.19Å; V15-G48 CarbonylContact O-C 3.55Å; V15-G48 WeakPolarHBondContact O-CA 3.28Å; V15-K49 PolarHBondContact N-O 3.37Å; V15-K49 PolarHBondContact O-N 3.34Å
16L98.3Very high92.2Very high4 Ų468.7 Ų68.72%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-73.2145.1173.9-61.5178.3000110.8D18 A19 F38 F40 V46 F107 L130 M145L16-D18 PolarHBondContact O-N 3.34Å; L16-A19 HydrophobicContact CB-CB 4.29Å; L16-A19 WeakPolarHBondContact O-CB 3.28Å; L16-A19 PolarHBondContact O-N 3.48Å; L16-F38 HydrophobicContact CD1-CB 3.99Å; L16-F38 HydrophobicContact CD1-CD1 4.16Å; L16-F38 HydrophobicContact CD1-CD2 3.62Å; L16-F38 HydrophobicContact CD1-CE2 4.07Å; L16-F38 HydrophobicContact CD1-CG 3.66Å; L16-F40 HydrophobicContact CD1-CE2 3.84Å; L16-F40 HydrophobicContact CD1-CZ 3.8Å; L16-F40 HydrophobicContact CD2-CZ 4.42Å; L16-V46 HydrophobicContact CD2-CG1 4.39Å; L16-F107 HydrophobicContact CD2-CZ 4.48Å; L16-L130 HydrophobicContact CD2-CD1 3.83Å; L16-M145 HydrophobicContact CD1-CE 4.3Å; L16-M145 HydrophobicContact CD2-CE 3.79Å; L16-M145 HydrophobicContact CG-CE 3.79Å
17N97.3Very high93.9Very high97 Ų9762 Ų6252%0.51933%0.329SS..THydrogen-bonded Turntrans-59.3-31-179.7-76.3-21.3000113S47 G48N17-S47 PolarHBondContact N-O 2.89Å; N17-S47 VanDerWaalsContact N-O 3.08Å; N17-S47 WeakPolarHBondContact ND2-CB 3.47Å; N17-S47 PolarHBondContact ND2-OG 3.34Å; N17-G48 WeakPolarHBondContact OD1-CA 3.44Å
18D93.9Very high94.9Very high46 Ų4664.6 Ų64.625%0.24633%0.325CS..THydrogen-bonded Turntrans-113.227.6-177.663-15.4000112.7L16 E20 T21 R22L16-D18 PolarHBondContact O-N 3.34Å; D18-E20 PolarHBondContact O-N 3.23Å; D18-E20 VanDerWaalsContact O-N 3.08Å; D18-T21 PolarHBondContact O-N 3.33Å; D18-T21 VanDerWaalsContact O-N 3.08Å; D18-T21 PolarHBondContact O-OG1 3.44Å; D18-R22 WeakPolarHBondContact O-CB 3.18Å; D18-R22 PolarHBondContact O-N 3.45Å; D18-R22 IonicContact OD1-CZ 3.71Å; D18-R22 IonicContact OD1-NE 3.7Å; D18-R22 PolarHBondContact OD1-NE 3.49Å; D18-R22 IonicContact OD1-NH2 3.75Å; D18-R22 PolarHBondContact OD1-NH2 3.23Å; D18-R22 IonicContact OD2-CZ 2.99Å; D18-R22 IonicContact OD2-NE 2.89Å; D18-R22 PolarHBondContact OD2-NE 3.42Å; D18-R22 IonicContact OD2-NH2 3.23Å; D18-R22 PolarHBondContact OD2-NH2 2.94Å
19A93.9Very high95.2Very high27 Ų2764.9 Ų64.922%0.22333%0.328CS..THydrogen-bonded Turntrans-55.3-28.6-175.700000114.8L16 F38L16-A19 HydrophobicContact CB-CB 4.29Å; L16-A19 WeakPolarHBondContact O-CB 3.28Å; L16-A19 PolarHBondContact O-N 3.48Å; A19-F38 HydrophobicContact CB-CE1 4.16Å; A19-F38 HydrophobicContact CB-CZ 3.83Å; A19-F38 WeakPolarHBondContact O-CE1 3.42Å
20E93.1Very high95.2Very high197 Ų19767.9 Ų67.992%0.92134%0.338SS*.THydrogen-bonded Turntrans-80.2-33.8179-63.3-172.5170.600113D18D18-E20 PolarHBondContact O-N 3.23Å; D18-E20 VanDerWaalsContact O-N 3.08Å
21T94.9Very high95.1Very high121 Ų12172.2 Ų72.274%0.74236%0.362SS*.THydrogen-bonded Turntrans-99.6-23-174.653.20000113.2D18D18-T21 PolarHBondContact O-N 3.33Å; D18-T21 VanDerWaalsContact O-N 3.08Å; D18-T21 PolarHBondContact O-OG1 3.44Å
22R94.9Very high94.6Very high39 Ų3968.2 Ų68.215%0.14735%0.353CS..SBendtrans-68.1133.4-175.6-174.5170.8-72.8-101.3-2110.8D18 K24 F38 F40 E44D18-R22 WeakPolarHBondContact O-CB 3.18Å; D18-R22 PolarHBondContact O-N 3.45Å; D18-R22 IonicContact OD1-CZ 3.71Å; D18-R22 IonicContact OD1-NE 3.7Å; D18-R22 PolarHBondContact OD1-NE 3.49Å; D18-R22 IonicContact OD1-NH2 3.75Å; D18-R22 PolarHBondContact OD1-NH2 3.23Å; D18-R22 IonicContact OD2-CZ 2.99Å; D18-R22 IonicContact OD2-NE 2.89Å; D18-R22 PolarHBondContact OD2-NE 3.42Å; D18-R22 IonicContact OD2-NH2 3.23Å; D18-R22 PolarHBondContact OD2-NH2 2.94Å; R22-K24 PolarHBondContact O-N 3.22Å; R22-F38 HydrophobicContact CB-CD1 4.11Å; R22-F38 HydrophobicContact CG-CD1 4.15Å; R22-F40 VanDerWaalsContact CZ-CZ 3.46Å; R22-E44 IonicContact CZ-OE2 3.73Å; R22-E44 IonicContact NH1-OE2 2.76Å; R22-E44 PolarHBondContact NH1-OE2 2.85Å; R22-E44 IonicContact NH2-OE2 2.84Å
23K96Very high94.4Very high104 Ų10473.8 Ų73.845%0.45238%0.377SS..  trans-58.9136.5178.5-174.1171.6176.8-174.70110.2L39 D297K23-L39 HydrophobicContact CB-CB 4.48Å; K23-L39 HydrophobicContact CD-CD2 3.87Å; K23-L39 HydrophobicContact CG-CD2 4.23Å; K23-L39 WeakPolarHBondContact O-CB 3.34Å; K23-L39 PolarHBondContact O-N 3.4Å; K23-D297 IonicContact NZ-OD2 3.58Å; K23-D297 PolarHBondContact NZ-OD2 2.97Å
24K96.3Very high94.1Very high110 Ų11075.1 Ų75.148%0.47838%0.379SS..EExtended strand (participates in β ladder)trans-109.2147170.2-63.9-178.6-178.5179.20110.3R22 Y37 F38R22-K24 PolarHBondContact O-N 3.22Å; K24-Y37 CarbonylContact C-O 3.58Å; K24-Y37 WeakPolarHBondContact CA-O 3.26Å; K24-Y37 WeakPolarHBondContact CB-O 3.15Å; K24-F38 HydrophobicContact CD-CE1 4.33Å; K24-F38 HydrophobicContact CG-CD1 3.99Å; K24-F38 HydrophobicContact CG-CE1 4.25Å
25V95.8Very high93.9Very high20 Ų2078.5 Ų78.512%0.12140%0.397CS..EExtended strand (participates in β ladder)trans-128148.7176.4-67.80000110.2K36 Y37 L39 V148V25-K36 WeakPolarHBondContact O-CA 3.3Å; V25-Y37 PolarHBondContact N-O 3.16Å; V25-Y37 PolarHBondContact O-N 3.5Å; V25-L39 HydrophobicContact CG1-CB 4.09Å; V25-L39 HydrophobicContact CG1-CD1 4.18Å; V25-L39 HydrophobicContact CG1-CD2 3.79Å; V25-L39 HydrophobicContact CG1-CG 4.24Å; V25-L39 HydrophobicContact CG2-CB 4.16Å; V25-L39 HydrophobicContact CG2-CD1 3.97Å; V25-V148 HydrophobicContact CG2-CB 3.79Å; V25-V148 HydrophobicContact CG2-CG1 3.62Å; V25-V148 HydrophobicContact CG2-CG2 4.38Å
26E95.6Very high93.9Very high120 Ų12082.7 Ų82.756%0.56141%0.411SS*.EExtended strand (participates in β ladder)trans-76.7132.4170.8-70.1178.3-178.500109.4D35 K36E26-D35 CarbonylContact C-O 3.57Å; E26-D35 WeakPolarHBondContact CA-O 2.99Å; E26-K36 HydrophobicContact CG-CG 3.9Å; E26-K36 WeakPolarHBondContact OE1-CE 3.5Å
27H95.7Very high93.8Very high37 Ų3784.6 Ų84.617%0.17142%0.418CS..EExtended strand (participates in β ladder)trans-134.1139.5175.9-171.275.3000109.6D35 Y37 T120 V148H27-D35 PolarHBondContact N-O 3.28Å; H27-D35 PolarHBondContact O-N 3.35Å; H27-D35 VanDerWaalsContact O-N 3.14Å; H27-Y37 HydrophobicContact CB-CD2 3.71Å; H27-Y37 HydrophobicContact CB-CE2 3.94Å; H27-T120 PolarHBondContact NE2-OG1 3.16Å; H27-V148 HydrophobicContact CB-CG2 3.64Å
28K93.4Very high93.9Very high105 Ų10581.2 Ų81.246%0.45740%0.398SS..EExtended strand (participates in β ladder)trans-77127.2-179.7-170179.6176.7-175.70110K33 T120K28-K33 CarbonylContact C-O 3.56Å; K28-K33 VanDerWaalsContact CA-O 3.31Å; K28-K33 WeakPolarHBondContact CA-O 3.36Å; K28-T120 WeakPolarHBondContact O-CB 3.42Å; K28-T120 PolarHBondContact O-OG1 3.47Å
29T91.1Very high94.1Very high22 Ų2279.2 Ų79.214%0.13539%0.388CS..  trans-87.3169.3175.349.20000111.1D31 G32 K33 D35 Y37T29-D31 VanDerWaalsContact CB-OD1 3.25Å; T29-D31 WeakPolarHBondContact CB-OD1 3.36Å; T29-D31 PolarHBondContact O-N 3.42Å; T29-D31 PolarHBondContact OG1-OD1 3.26Å; T29-G32 PolarHBondContact O-N 3.25Å; T29-K33 PolarHBondContact N-O 3.45Å; T29-K33 PolarHBondContact OG1-N 3.06Å; T29-K33 PolarHBondContact OG1-O 3.45Å; T29-D35 HydrophobicContact CG2-CB 4.29Å; T29-Y37 HydrophobicContact CG2-CE2 4.43Å; T29-Y37 WeakPolarHBondContact CG2-OH 3.48Å
30E89.4Confident94.3Very high96 Ų9678 Ų7845%0.44938%0.377SS..THydrogen-bonded Turntrans-63.1-29.9-177.8-57.9-174.4171.800113.1G32 Y77 T120 K125E30-G32 PolarHBondContact O-N 3.17Å; E30-Y77 VanDerWaalsContact CG-OH 3.29Å; E30-Y77 WeakPolarHBondContact CG-OH 3.27Å; E30-Y77 PolarHBondContact OE1-OH 3.08Å; E30-T120 HydrophobicContact CG-CG2 4.1Å; E30-K125 HydrophobicContact CG-CD 4.12Å; E30-K125 WeakPolarHBondContact OE1-CD 3.4Å; E30-K125 WeakPolarHBondContact OE1-CE 3.45Å; E30-K125 IonicContact OE1-NZ 3.04Å; E30-K125 PolarHBondContact OE1-NZ 3.27Å
31D89.3Confident94.5Very high95 Ų9571.1 Ų71.151%0.50834%0.344SS..THydrogen-bonded Turntrans-79.84.6174.968.7-26.1000113.1T29 K33T29-D31 VanDerWaalsContact CB-OD1 3.25Å; T29-D31 WeakPolarHBondContact CB-OD1 3.36Å; T29-D31 PolarHBondContact O-N 3.42Å; T29-D31 PolarHBondContact OG1-OD1 3.26Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 2.99Å; D31-K33 VanDerWaalsContact OD2-CD 3.29Å; D31-K33 WeakPolarHBondContact OD2-CD 3.33Å; D31-K33 VanDerWaalsContact OD2-CE 3.31Å; D31-K33 WeakPolarHBondContact OD2-CE 3.37Å; D31-K33 WeakPolarHBondContact OD2-CG 3.27Å; D31-K33 IonicContact OD2-NZ 3.3Å; D31-K33 PolarHBondContact OD2-NZ 3.11Å
32G87.3Confident94.5Very high39 Ų3970 Ų7040%0.40233%0.333SS..SBendtrans82-0.2176.900000115T29 E30T29-G32 PolarHBondContact O-N 3.25Å; E30-G32 PolarHBondContact O-N 3.17Å
33K91.7Very high94.5Very high127 Ų12769.9 Ų69.955%0.55234%0.344SS*.  trans-75.1164.6174.4-62.7-172.9-169.3121.80111.2K28 T29 D31K28-K33 CarbonylContact C-O 3.56Å; K28-K33 VanDerWaalsContact CA-O 3.31Å; K28-K33 WeakPolarHBondContact CA-O 3.36Å; T29-K33 PolarHBondContact N-O 3.45Å; T29-K33 PolarHBondContact OG1-N 3.06Å; T29-K33 PolarHBondContact OG1-O 3.45Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 2.99Å; D31-K33 VanDerWaalsContact OD2-CD 3.29Å; D31-K33 WeakPolarHBondContact OD2-CD 3.33Å; D31-K33 VanDerWaalsContact OD2-CE 3.31Å; D31-K33 WeakPolarHBondContact OD2-CE 3.37Å; D31-K33 WeakPolarHBondContact OD2-CG 3.27Å; D31-K33 IonicContact OD2-NZ 3.3Å; D31-K33 PolarHBondContact OD2-NZ 3.11Å
34K92.1Very high94.6Very high107 Ų10767.9 Ų67.947%0.46534%0.336SS..EExtended strand (participates in β ladder)trans-115.4112.8174.6-68.3-170.8176.8-164.90108.9D254K34-D254 VanDerWaalsContact CE-OD2 3.25Å; K34-D254 WeakPolarHBondContact CE-OD2 3.45Å; K34-D254 IonicContact NZ-OD1 3.93Å; K34-D254 IonicContact NZ-OD2 3Å; K34-D254 PolarHBondContact NZ-OD2 3.05Å
35D95Very high94.6Very high79 Ų7965.1 Ų65.142%0.42233%0.328SS..EExtended strand (participates in β ladder)trans-110.9158.6177.3-75.4-22000110.6E26 H27 T29 Y37E26-D35 CarbonylContact C-O 3.57Å; E26-D35 WeakPolarHBondContact CA-O 2.99Å; H27-D35 PolarHBondContact N-O 3.28Å; H27-D35 PolarHBondContact O-N 3.35Å; H27-D35 VanDerWaalsContact O-N 3.14Å; T29-D35 HydrophobicContact CG2-CB 4.29Å; D35-Y37 HydrophobicContact CB-CD2 4.46Å; D35-Y37 HydrophobicContact CB-CE2 3.57Å; D35-Y37 WeakPolarHBondContact O-CD2 3.45Å; D35-Y37 WeakPolarHBondContact O-CE2 3.45Å
36K96.3Very high94.8Very high145 Ų14564.1 Ų64.163%0.6332%0.323SS*.EExtended strand (participates in β ladder)trans-99.6123.2-178.6-70.8-177.5-178.9178.20111.1V25 E26V25-K36 WeakPolarHBondContact O-CA 3.3Å; E26-K36 HydrophobicContact CG-CG 3.9Å; E26-K36 WeakPolarHBondContact OE1-CE 3.5Å
37Y97.8Very high94.9Very high43 Ų4359.4 Ų59.417%0.16930%0.303CS..EExtended strand (participates in β ladder)trans-121.9156.7-179.9-58.3-86.9000111.2K24 V25 H27 T29 D35 L39 D146 V148K24-Y37 CarbonylContact C-O 3.58Å; K24-Y37 WeakPolarHBondContact CA-O 3.26Å; K24-Y37 WeakPolarHBondContact CB-O 3.15Å; V25-Y37 PolarHBondContact N-O 3.16Å; V25-Y37 PolarHBondContact O-N 3.5Å; H27-Y37 HydrophobicContact CB-CD2 3.71Å; H27-Y37 HydrophobicContact CB-CE2 3.94Å; T29-Y37 HydrophobicContact CG2-CE2 4.43Å; T29-Y37 WeakPolarHBondContact CG2-OH 3.48Å; D35-Y37 HydrophobicContact CB-CD2 4.46Å; D35-Y37 HydrophobicContact CB-CE2 3.57Å; D35-Y37 WeakPolarHBondContact O-CD2 3.45Å; D35-Y37 WeakPolarHBondContact O-CE2 3.45Å; Y37-L39 PolarHBondContact O-N 3.29Å; Y37-D146 HydrophobicContact CD1-CB 3.71Å; Y37-D146 HydrophobicContact CE1-CB 3.64Å; Y37-V148 HydrophobicContact CD2-CG2 3.9Å; Y37-V148 HydrophobicContact CG-CG2 3.9Å
38F98.3Very high95Very high26 Ų2657.7 Ų57.711%0.11430%0.295CS..EExtended strand (participates in β ladder)trans-65.3132.8171.9-66.9-70.7000110.7L16 A19 R22 K24 F40 M145 I147 V148L16-F38 HydrophobicContact CD1-CB 3.99Å; L16-F38 HydrophobicContact CD1-CD1 4.16Å; L16-F38 HydrophobicContact CD1-CD2 3.62Å; L16-F38 HydrophobicContact CD1-CE2 4.07Å; L16-F38 HydrophobicContact CD1-CG 3.66Å; A19-F38 HydrophobicContact CB-CE1 4.16Å; A19-F38 HydrophobicContact CB-CZ 3.83Å; A19-F38 WeakPolarHBondContact O-CE1 3.42Å; R22-F38 HydrophobicContact CB-CD1 4.11Å; R22-F38 HydrophobicContact CG-CD1 4.15Å; K24-F38 HydrophobicContact CD-CE1 4.33Å; K24-F38 HydrophobicContact CG-CD1 3.99Å; K24-F38 HydrophobicContact CG-CE1 4.25Å; F38-F40 HydrophobicContact CB-CD2 4.41Å; F38-F40 HydrophobicContact CB-CE2 3.94Å; F38-M145 HydrophobicContact CE2-SD 4.37Å; F38-I147 HydrophobicContact CB-CG2 4.38Å; F38-V148 PolarHBondContact O-N 3.44Å
39L98Very high95.3Very high5 Ų556.6 Ų56.63%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-89.2134.4177.8-178.564.9000110.7K23 V25 Y37 Y41 V148 H150K23-L39 HydrophobicContact CB-CB 4.48Å; K23-L39 HydrophobicContact CD-CD2 3.87Å; K23-L39 HydrophobicContact CG-CD2 4.23Å; K23-L39 WeakPolarHBondContact O-CB 3.34Å; K23-L39 PolarHBondContact O-N 3.4Å; V25-L39 HydrophobicContact CG1-CB 4.09Å; V25-L39 HydrophobicContact CG1-CD1 4.18Å; V25-L39 HydrophobicContact CG1-CD2 3.79Å; V25-L39 HydrophobicContact CG1-CG 4.24Å; V25-L39 HydrophobicContact CG2-CB 4.16Å; V25-L39 HydrophobicContact CG2-CD1 3.97Å; Y37-L39 PolarHBondContact O-N 3.29Å; L39-Y41 HydrophobicContact CD2-CE2 3.84Å; L39-Y41 WeakPolarHBondContact CD2-OH 3.44Å; L39-Y41 HydrophobicContact CG-CE2 4.15Å; L39-V148 CarbonylContact C-O 3.58Å; L39-V148 WeakPolarHBondContact CA-O 3.36Å; L39-V148 HydrophobicContact CD1-CG1 4.41Å; L39-H150 HydrophobicContact CD1-CB 3.9Å; L39-H150 WeakPolarHBondContact CD1-ND1 3.1Å
40F97.8Very high95.6Very high0 Ų055.6 Ų55.60%028%0.284CS..EExtended strand (participates in β ladder)trans-128.5157.4171-76.4-102.4000110.6L16 R22 F38 E44 V46 K114 I147 V148 V149 H150L16-F40 HydrophobicContact CD1-CE2 3.84Å; L16-F40 HydrophobicContact CD1-CZ 3.8Å; L16-F40 HydrophobicContact CD2-CZ 4.42Å; R22-F40 VanDerWaalsContact CZ-CZ 3.46Å; F38-F40 HydrophobicContact CB-CD2 4.41Å; F38-F40 HydrophobicContact CB-CE2 3.94Å; F40-E44 HydrophobicContact CD1-CB 4.24Å; F40-V46 HydrophobicContact CD1-CG2 3.97Å; F40-V46 HydrophobicContact CE1-CB 4.2Å; F40-V46 HydrophobicContact CE1-CG1 4.18Å; F40-V46 HydrophobicContact CE1-CG2 3.68Å; F40-V46 HydrophobicContact CZ-CG1 4.21Å; F40-V46 HydrophobicContact CZ-CG2 4.44Å; F40-K114 HydrophobicContact CB-CD 4.08Å; F40-I147 HydrophobicContact CB-CD1 4.34Å; F40-I147 HydrophobicContact CD2-CB 3.99Å; F40-I147 HydrophobicContact CD2-CD1 3.68Å; F40-I147 HydrophobicContact CD2-CG1 4.39Å; F40-I147 HydrophobicContact CD2-CG2 4.19Å; F40-I147 HydrophobicContact CE2-CB 4.23Å; F40-I147 HydrophobicContact CE2-CD1 4.11Å; F40-I147 HydrophobicContact CE2-CG2 3.9Å; F40-I147 HydrophobicContact CG-CD1 3.99Å; F40-V148 PolarHBondContact N-O 3.43Å; F40-V149 HydrophobicContact CB-CG2 4.41Å; F40-V149 WeakPolarHBondContact O-CA 3.38Å; F40-H150 PolarHBondContact O-N 3.2Å
41Y97.4Very high96Very high54 Ų5452.7 Ų52.721%0.21227%0.272CS..  trans-119165.8169.5-62.5-80.6000110.2L39 E44 K114 H150 L152L39-Y41 HydrophobicContact CD2-CE2 3.84Å; L39-Y41 WeakPolarHBondContact CD2-OH 3.44Å; L39-Y41 HydrophobicContact CG-CE2 4.15Å; Y41-E44 VanDerWaalsContact CD2-OE1 3.27Å; Y41-E44 WeakPolarHBondContact CD2-OE1 3.27Å; Y41-E44 WeakPolarHBondContact O-CB 3.2Å; Y41-E44 PolarHBondContact O-N 2.86Å; Y41-K114 PolarHBondContact O-NZ 3.02Å; Y41-H150 HydrophobicContact CD1-CB 4.25Å; Y41-H150 VanDerWaalsContact CD1-O 3.28Å; Y41-H150 WeakPolarHBondContact CD1-O 2.95Å; Y41-H150 HydrophobicContact CE1-CB 3.76Å; Y41-L152 HydrophobicContact CD1-CD1 4.01Å; Y41-L152 HydrophobicContact CD1-CD2 4.46Å; Y41-L152 HydrophobicContact CD1-CG 3.85Å; Y41-L152 HydrophobicContact CE1-CD1 3.63Å; Y41-L152 HydrophobicContact CE1-CD2 3.66Å; Y41-L152 HydrophobicContact CE1-CG 3.49Å; Y41-L152 VanDerWaalsContact CE1-CG 3.49Å
42D96Very high96.4Very high96 Ų9648.2 Ų48.251%0.51325%0.248SC..THydrogen-bonded Turntrans-58.3143.9177.1-169.825.1000111.9E44 E113 K114D42-E44 PolarHBondContact O-N 2.73Å; D42-E44 VanDerWaalsContact O-N 3.12Å; D42-E113 WeakPolarHBondContact OD1-CA 3.04Å; D42-K114 PolarHBondContact OD1-N 2.8Å
43G94.4Very high96.9Very high37 Ų3749.6 Ų49.638%0.38125%0.248SC..THydrogen-bonded Turntrans74.7-15.8-17700000116H111 V112G43-H111 WeakPolarHBondContact O-CA 3.48Å; G43-V112 WeakPolarHBondContact CA-O 3.4Å; G43-V112 PolarHBondContact N-O 3.46Å; G43-V112 VanDerWaalsContact N-O 3.12Å
44E97Very high97Very high63 Ų6344.1 Ų44.129%0.29423%0.225SC..  trans-61.7140.6179.7-71.3-166.1-164.700113.4R22 F40 Y41 D42 K114R22-E44 IonicContact CZ-OE2 3.73Å; R22-E44 IonicContact NH1-OE2 2.76Å; R22-E44 PolarHBondContact NH1-OE2 2.85Å; R22-E44 IonicContact NH2-OE2 2.84Å; F40-E44 HydrophobicContact CD1-CB 4.24Å; Y41-E44 VanDerWaalsContact CD2-OE1 3.27Å; Y41-E44 WeakPolarHBondContact CD2-OE1 3.27Å; Y41-E44 WeakPolarHBondContact O-CB 3.2Å; Y41-E44 PolarHBondContact O-N 2.86Å; D42-E44 PolarHBondContact O-N 2.73Å; D42-E44 VanDerWaalsContact O-N 3.12Å; E44-K114 PolarHBondContact O-NZ 3Å
45T97.9Very high97Very high51 Ų5145 Ų4531%0.31323%0.229SC..  trans-65.4137.2169.5-63.60000111E108 F109 T110T45-E108 HydrophobicContact CG2-CG 3.8Å; T45-F109 CarbonylContact C-O 3.56Å; T45-F109 VanDerWaalsContact CA-O 3.27Å; T45-F109 WeakPolarHBondContact CA-O 3.11Å; T45-F109 WeakPolarHBondContact CG2-O 3.46Å; T45-T110 HydrophobicContact CG2-CG2 4.36Å
46V98.4Very high96.8Very high0 Ų044.1 Ų44.10%023%0.225CC..EExtended strand (participates in β ladder)trans-113.3108.5173.3-171.80000107.9L16 F40 F70 F107 F109 V112 L130L16-V46 HydrophobicContact CD2-CG1 4.39Å; F40-V46 HydrophobicContact CD1-CG2 3.97Å; F40-V46 HydrophobicContact CE1-CB 4.2Å; F40-V46 HydrophobicContact CE1-CG1 4.18Å; F40-V46 HydrophobicContact CE1-CG2 3.68Å; F40-V46 HydrophobicContact CZ-CG1 4.21Å; F40-V46 HydrophobicContact CZ-CG2 4.44Å; V46-F70 HydrophobicContact CB-CD2 4.35Å; V46-F70 HydrophobicContact CG1-CD2 4.2Å; V46-F70 HydrophobicContact CG1-CE2 4.46Å; V46-F70 HydrophobicContact CG2-CD2 3.98Å; V46-F70 HydrophobicContact CG2-CE2 3.73Å; V46-F107 HydrophobicContact CG1-CE2 4.4Å; V46-F109 HydrophobicContact CB-CB 4.49Å; V46-F109 PolarHBondContact N-O 2.85Å; V46-F109 PolarHBondContact O-N 2.82Å; V46-V112 HydrophobicContact CB-CG2 4.43Å; V46-V112 HydrophobicContact CG2-CB 4.28Å; V46-V112 HydrophobicContact CG2-CG1 4.47Å; V46-V112 HydrophobicContact CG2-CG2 3.97Å; V46-L130 HydrophobicContact CG1-CD1 3.82Å; V46-L130 HydrophobicContact CG1-CD2 4.09Å; V46-L130 HydrophobicContact CG1-CG 4.26Å
47S98.4Very high96.2Very high21 Ų2143 Ų4315%0.14723%0.232CC..EExtended strand (participates in β ladder)trans-136.5148.7-175.268.40000112N17 F107N17-S47 PolarHBondContact N-O 2.89Å; N17-S47 VanDerWaalsContact N-O 3.08Å; N17-S47 WeakPolarHBondContact ND2-CB 3.47Å; N17-S47 PolarHBondContact ND2-OG 3.34Å; S47-F107 WeakPolarHBondContact CA-O 3.37Å
48G98.4Very high95.5Very high1 Ų144.7 Ų44.71%0.0126%0.263CS..EExtended strand (participates in β ladder)trans178.2-158.6-176.500000112.7V15 N17 F107V15-G48 CarbonylContact O-C 3.55Å; V15-G48 WeakPolarHBondContact O-CA 3.28Å; N17-G48 WeakPolarHBondContact OD1-CA 3.44Å; G48-F107 VanDerWaalsContact CA-CE1 3.49Å; G48-F107 PolarHBondContact N-O 3.46Å; G48-F107 VanDerWaalsContact O-CD1 3.27Å; G48-F107 WeakPolarHBondContact O-CD1 3.27Å; G48-F107 PolarHBondContact O-N 2.73Å
49K98.5Very high95.1Very high81 Ų8148.1 Ų48.135%0.35228%0.278SS..EExtended strand (participates in β ladder)trans-130.8142.7179.7-49.9-165.2177-120.90110.8V15 T104 F105 D106V15-K49 PolarHBondContact N-O 3.37Å; V15-K49 PolarHBondContact O-N 3.34Å; K49-T104 HydrophobicContact CB-CG2 3.73Å; K49-T104 HydrophobicContact CD-CG2 3.79Å; K49-T104 HydrophobicContact CG-CG2 4.29Å; K49-F105 CarbonylContact C-O 3.55Å; K49-F105 WeakPolarHBondContact CA-O 3.49Å; K49-D106 VanDerWaalsContact CD-OD1 3.26Å; K49-D106 WeakPolarHBondContact CD-OD1 3.4Å; K49-D106 WeakPolarHBondContact CE-OD1 3.25Å; K49-D106 VanDerWaalsContact CG-OD1 3.28Å; K49-D106 WeakPolarHBondContact CG-OD1 3.46Å; K49-D106 IonicContact NZ-OD1 3.76Å; K49-D106 PolarHBondContact NZ-OD1 2.8Å; K49-D106 IonicContact NZ-OD2 2.67Å
50V98.6Very high94.8Very high1 Ų154.1 Ų54.11%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-103.7115.3167.8-179.40000108I12 V14 V52 I68 L93 T104 F105 F107 A132I12-V50 HydrophobicContact CG2-CG1 3.88Å; V14-V50 HydrophobicContact CG2-CG2 4.49Å; V50-V52 HydrophobicContact CG1-CG2 4.23Å; V50-I68 HydrophobicContact CG2-CB 4.2Å; V50-I68 HydrophobicContact CG2-CD1 3.94Å; V50-I68 HydrophobicContact CG2-CG1 4.28Å; V50-L93 HydrophobicContact CB-CD1 3.87Å; V50-L93 HydrophobicContact CG1-CD1 4.41Å; V50-L93 HydrophobicContact CG2-CD1 3.63Å; V50-T104 CarbonylContact O-C 3.42Å; V50-T104 WeakPolarHBondContact O-CA 3.44Å; V50-F105 PolarHBondContact N-O 2.82Å; V50-F105 PolarHBondContact O-N 2.89Å; V50-F107 HydrophobicContact CG2-CD1 3.95Å; V50-F107 HydrophobicContact CG2-CE1 4.22Å; V50-A132 HydrophobicContact CG1-CB 3.8Å; V50-A132 HydrophobicContact CG2-CB 4.13Å
51N98.2Very high94.6Very high36 Ų3654.3 Ų54.319%0.19330%0.301CS..EExtended strand (participates in β ladder)trans-94.9122.9175.7-60.9-43000109.1I12 D13 T104I12-N51 WeakPolarHBondContact CA-O 3.44Å; D13-N51 HydrophobicContact CB-CB 4.26Å; D13-N51 PolarHBondContact N-O 3.32Å; D13-N51 PolarHBondContact O-N 3.05Å; N51-T104 WeakPolarHBondContact OD1-CG2 3.42Å; N51-T104 PolarHBondContact OD1-OG1 2.76Å
52V97.4Very high94.5Very high1 Ų157 Ų571%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-111.9105175.6-176.30000108.5A10 V50 I99 S102 Q103 F105 V134A10-V52 HydrophobicContact CB-CG1 3.66Å; V50-V52 HydrophobicContact CG1-CG2 4.23Å; V52-I99 HydrophobicContact CG1-CD1 4.02Å; V52-S102 VanDerWaalsContact O-CA 3.27Å; V52-S102 WeakPolarHBondContact O-CA 3.45Å; V52-Q103 PolarHBondContact N-O 2.96Å; V52-Q103 PolarHBondContact O-N 2.9Å; V52-F105 HydrophobicContact CB-CE2 4.48Å; V52-F105 HydrophobicContact CG2-CD2 4.24Å; V52-F105 HydrophobicContact CG2-CE2 4.02Å; V52-V134 HydrophobicContact CG1-CG2 4.37Å; V52-V134 HydrophobicContact CG2-CG2 4.29Å
53T96.6Very high94.6Very high67 Ų6753 Ų5341%0.41129%0.294SS..EExtended strand (participates in β ladder)trans-102.2118.8-176.2-580000110.6A10 E11 K55A10-T53 CarbonylContact C-O 3.49Å; A10-T53 WeakPolarHBondContact CA-O 3.41Å; A10-T53 WeakPolarHBondContact CB-O 3.37Å; E11-T53 PolarHBondContact N-O 2.89Å; E11-T53 PolarHBondContact O-N 3.27Å; T53-K55 PolarHBondContact O-N 2.96Å
54L94.6Very high94.7Very high13 Ų1356.4 Ų56.47%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-70.7127.5178.3-68-173.3000111.4A10 L61 I99 T100 S102A10-L54 HydrophobicContact CB-CD2 4.38Å; L54-L61 HydrophobicContact CD2-CB 3.82Å; L54-L61 HydrophobicContact CD2-CD2 4.09Å; L54-I99 HydrophobicContact CD1-CG2 4.08Å; L54-I99 HydrophobicContact CD2-CB 4.47Å; L54-I99 HydrophobicContact CD2-CG2 3.85Å; L54-I99 HydrophobicContact CG-CG2 4.05Å; L54-T100 WeakPolarHBondContact CD1-O 3.2Å; L54-S102 PolarHBondContact N-OG 2.85Å; L54-S102 VanDerWaalsContact N-OG 3.13Å
55K92.6Very high94.7Very high126 Ų12653.7 Ų53.755%0.54829%0.288SS..SBendtrans-70.7-34.7-179.8-69.9-170.3177.4179.70113.4S9 T53S9-K55 PolarHBondContact O-N 3.45Å; T53-K55 PolarHBondContact O-N 2.96Å
56N89.6Confident94.8Very high60 Ų6051.3 Ų51.332%0.32127%0.273SS..SBendtrans-115.7103.8174.2-40.2-60.5000109.2Q8 K59Q8-N56 PolarHBondContact NE2-O 2.88Å; Q8-N56 VanDerWaalsContact OE1-CB 3.22Å; Q8-N56 PolarHBondContact OE1-ND2 2.74Å; Q8-N56 PolarHBondContact OE1-O 3.15Å; N56-K59 HydrophobicContact CB-CB 4.47Å; N56-K59 HydrophobicContact CB-CD 4.17Å; N56-K59 HydrophobicContact CB-CG 4.5Å; N56-K59 PolarHBondContact O-N 3.39Å
57P84.2Confident94.8Very high120 Ų12053.5 Ų53.578%0.77928%0.283SS*.THydrogen-bonded Turntrans-54.6141.6174.3-26.535000111.8K59P57-K59 VanDerWaalsContact C-N 3.29Å; P57-K59 PolarHBondContact O-N 3.13Å
58G82.6Confident94.8Very high80 Ų8052.5 Ų52.583%0.82528%0.276SS*.THydrogen-bonded Turntrans82.6-9.5178.800000115.9
59K90.5Very high94.8Very high97 Ų9753 Ų5342%0.42228%0.278SS..  trans-96.1133.1168.8-73.4-172.4-178.9178.50110.4Q8 N56 P57Q8-K59 HydrophobicContact CB-CB 4.31Å; Q8-K59 HydrophobicContact CG-CB 4.21Å; Q8-K59 PolarHBondContact NE2-O 3.18Å; Q8-K59 VanDerWaalsContact OE1-CB 3.27Å; N56-K59 HydrophobicContact CB-CB 4.47Å; N56-K59 HydrophobicContact CB-CD 4.17Å; N56-K59 HydrophobicContact CB-CG 4.5Å; N56-K59 PolarHBondContact O-N 3.39Å; P57-K59 VanDerWaalsContact C-N 3.29Å; P57-K59 PolarHBondContact O-N 3.13Å
60R91.7Very high94.8Very high132 Ų13249.2 Ų49.250%0.49826%0.262SS..  trans-74.5145.2176.364.9171.6-172.5-171.58.4112.6Q8 E62 E98 I99 T100Q8-R60 VanDerWaalsContact CB-O 3.31Å; Q8-R60 WeakPolarHBondContact CB-O 3.31Å; Q8-R60 WeakPolarHBondContact CG-O 3.17Å; R60-E62 IonicContact CZ-OE1 3.71Å; R60-E62 VanDerWaalsContact CZ-OE1 3.23Å; R60-E62 IonicContact NE-OE1 3.65Å; R60-E62 PolarHBondContact NE-OE1 3.01Å; R60-E62 IonicContact NH2-OE1 2.73Å; R60-E62 PolarHBondContact NH2-OE1 3.32Å; R60-E98 WeakPolarHBondContact CD-OE2 3.19Å; R60-E98 IonicContact CZ-OE1 3.76Å; R60-E98 VanDerWaalsContact CZ-OE1 3.23Å; R60-E98 IonicContact CZ-OE2 3.66Å; R60-E98 IonicContact NE-OE1 3.49Å; R60-E98 IonicContact NE-OE2 2.81Å; R60-E98 VanDerWaalsContact NH1-CD 3.33Å; R60-E98 IonicContact NH1-OE1 3.55Å; R60-E98 PolarHBondContact NH1-OE1 3.48Å; R60-E98 IonicContact NH1-OE2 3.18Å; R60-E98 PolarHBondContact NH1-OE2 3.12Å; R60-E98 IonicContact NH2-OE1 2.71Å; R60-I99 CarbonylContact C-O 3.48Å; R60-I99 WeakPolarHBondContact CA-O 3.45Å; R60-T100 HydrophobicContact CB-CG2 4.37Å
61L94.1Very high94.8Very high3 Ų349.1 Ų49.12%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-109.8107.2170.4178.566.1000109.4Q8 A10 L54 E98 I99 V134Q8-L61 HydrophobicContact CB-CD1 4.49Å; Q8-L61 HydrophobicContact CG-CB 3.85Å; Q8-L61 HydrophobicContact CG-CD1 4.28Å; A10-L61 HydrophobicContact CB-CD2 3.75Å; L54-L61 HydrophobicContact CD2-CB 3.82Å; L54-L61 HydrophobicContact CD2-CD2 4.09Å; L61-E98 WeakPolarHBondContact O-CA 3.28Å; L61-I99 HydrophobicContact CB-CB 4.34Å; L61-I99 PolarHBondContact N-O 2.86Å; L61-I99 PolarHBondContact O-N 2.83Å; L61-V134 HydrophobicContact CD2-CG1 4.33Å
62E95.3Very high94.8Very high112 Ų11247.4 Ų47.452%0.52325%0.252SS..EExtended strand (participates in β ladder)trans-74.4132.6170.4-70.5169.7-157.200110.1R60 E98R60-E62 IonicContact CZ-OE1 3.71Å; R60-E62 VanDerWaalsContact CZ-OE1 3.23Å; R60-E62 IonicContact NE-OE1 3.65Å; R60-E62 PolarHBondContact NE-OE1 3.01Å; R60-E62 IonicContact NH2-OE1 2.73Å; R60-E62 PolarHBondContact NH2-OE1 3.32Å; E62-E98 HydrophobicContact CG-CG 3.92Å
63H96.6Very high94.8Very high11 Ų1147.7 Ų47.75%0.05125%0.253CS..EExtended strand (participates in β ladder)trans-141.315417967.793.8000112G65 R95 P96 G97 V134 I135H63-G65 PolarHBondContact ND1-N 3.22Å; H63-R95 PolarHBondContact CE1-O 2.96Å; H63-P96 WeakPolarHBondContact O-CA 3.43Å; H63-G97 PolarHBondContact CD2-O 2.8Å; H63-G97 VanDerWaalsContact CD2-O 3.22Å; H63-G97 PolarHBondContact N-O 2.75Å; H63-G97 PolarHBondContact O-N 3.36Å; H63-V134 HydrophobicContact CB-CG1 3.72Å; H63-I135 CarbonylContact C-O 3.59Å; H63-I135 VanDerWaalsContact CA-O 3.27Å; H63-I135 WeakPolarHBondContact CA-O 3.49Å; H63-I135 WeakPolarHBondContact CB-O 3.41Å
64H97.5Very high94.9Very high108 Ų10844.5 Ų44.550%0.523%0.234SC..SBendtrans-99.915.6177-66.6-48.8000113.3P96 I135H64-P96 WeakPolarHBondContact O-CG 3.42Å; H64-I135 HydrophobicContact CB-CB 4.37Å; H64-I135 HydrophobicContact CB-CG2 4.01Å; H64-I135 PolarHBondContact N-O 2.8Å
65G97.6Very high95Very high6 Ų644.9 Ų44.96%0.06224%0.235CC..EExtended strand (participates in β ladder)trans141.6157.2176.700000110.7H63 A94 I135H63-G65 PolarHBondContact ND1-N 3.22Å; G65-A94 WeakPolarHBondContact CA-O 3.43Å; G65-I135 PolarHBondContact O-N 2.92Å
66I98.5Very high95.1Very high1 Ų139 Ų391%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-127.4129171.6-53.6176.9000106L93 A94 I99 F105 T133 V134I66-L93 HydrophobicContact CB-CB 4.34Å; I66-L93 HydrophobicContact CG2-CB 4.19Å; I66-L93 HydrophobicContact CG2-CD1 4.27Å; I66-L93 WeakPolarHBondContact O-CA 3.22Å; I66-L93 WeakPolarHBondContact O-CB 3.29Å; I66-L93 PolarHBondContact O-N 2.81Å; I66-A94 HydrophobicContact CB-CB 3.99Å; I66-A94 HydrophobicContact CD1-CB 3.96Å; I66-A94 HydrophobicContact CG1-CB 4.01Å; I66-A94 PolarHBondContact N-O 2.84Å; I66-A94 PolarHBondContact O-N 2.84Å; I66-A94 VanDerWaalsContact O-N 3.15Å; I66-I99 HydrophobicContact CD1-CD1 3.49Å; I66-I99 VanDerWaalsContact CD1-CD1 3.49Å; I66-I99 HydrophobicContact CD1-CG1 4.49Å; I66-F105 HydrophobicContact CD1-CE2 3.86Å; I66-F105 HydrophobicContact CD1-CZ 3.86Å; I66-T133 WeakPolarHBondContact CA-O 3.35Å; I66-V134 HydrophobicContact CD1-CG2 4.4Å; I66-V134 HydrophobicContact CG1-CG1 4.34Å; I66-V134 HydrophobicContact CG1-CG2 4.18Å; I66-V134 HydrophobicContact CG2-CG2 4.16Å
67K98.5Very high95.2Very high47 Ų4738 Ų3820%0.20420%0.202CC..EExtended strand (participates in β ladder)trans-135.1157.4179.462.8173179.8166.70111.1E69 V90 K91 A132 T133 I135K67-E69 HydrophobicContact CD-CG 4.18Å; K67-E69 WeakPolarHBondContact CE-OE1 3.44Å; K67-E69 IonicContact NZ-OE1 3.93Å; K67-E69 PolarHBondContact NZ-OE1 2.99Å; K67-E69 IonicContact NZ-OE2 3.48Å; K67-V90 HydrophobicContact CB-CG1 4.33Å; K67-V90 HydrophobicContact CD-CG1 4.03Å; K67-K91 WeakPolarHBondContact CA-O 3.17Å; K67-A132 WeakPolarHBondContact O-CA 3.42Å; K67-T133 PolarHBondContact N-O 2.9Å; K67-T133 PolarHBondContact O-N 3.19Å; K67-I135 HydrophobicContact CD-CD1 4.46Å
68I98.8Very high95.4Very high0 Ų036.4 Ų36.40%018%0.181CC..EExtended strand (participates in β ladder)trans-121.6138.1166.6-178.371.1000107.9V14 V50 K91 L93 F107 F109 L130 R131 A132V14-I68 HydrophobicContact CG2-CD1 4.48Å; V50-I68 HydrophobicContact CG2-CB 4.2Å; V50-I68 HydrophobicContact CG2-CD1 3.94Å; V50-I68 HydrophobicContact CG2-CG1 4.28Å; I68-K91 HydrophobicContact CG2-CB 3.85Å; I68-K91 PolarHBondContact N-O 3.34Å; I68-K91 PolarHBondContact O-N 3.12Å; I68-L93 HydrophobicContact CB-CD1 3.92Å; I68-L93 HydrophobicContact CB-CG 4.43Å; I68-L93 HydrophobicContact CG2-CD1 3.88Å; I68-L93 HydrophobicContact CG2-CD2 3.81Å; I68-L93 HydrophobicContact CG2-CG 3.94Å; I68-F107 HydrophobicContact CG1-CD1 4.31Å; I68-F107 HydrophobicContact CG1-CD2 4.31Å; I68-F107 HydrophobicContact CG1-CE1 4.5Å; I68-F107 HydrophobicContact CG1-CG 4.21Å; I68-F107 HydrophobicContact CG2-CB 3.67Å; I68-F107 HydrophobicContact CG2-CD2 4.43Å; I68-F107 HydrophobicContact CG2-CG 3.98Å; I68-F109 HydrophobicContact CG1-CE2 4.21Å; I68-F109 HydrophobicContact CG2-CE2 4.21Å; I68-F109 HydrophobicContact CG2-CZ 4.01Å; I68-L130 HydrophobicContact CD1-CB 4.19Å; I68-L130 HydrophobicContact CD1-CD2 4.27Å; I68-L130 HydrophobicContact CG1-CD2 4.15Å; I68-R131 CarbonylContact C-O 3.59Å; I68-R131 WeakPolarHBondContact CA-O 3.27Å; I68-A132 HydrophobicContact CD1-CB 3.8Å
69E98.7Very high95.6Very high12 Ų1235.7 Ų35.76%0.05616%0.158CC..EExtended strand (participates in β ladder)trans-122.6137.9-179.6-54.1176.8122.400109K67 V71 L89 V90 L130 R131K67-E69 HydrophobicContact CD-CG 4.18Å; K67-E69 WeakPolarHBondContact CE-OE1 3.44Å; K67-E69 IonicContact NZ-OE1 3.93Å; K67-E69 PolarHBondContact NZ-OE1 2.99Å; K67-E69 IonicContact NZ-OE2 3.48Å; E69-V71 HydrophobicContact CB-CG2 4.04Å; E69-L89 CarbonylContact C-O 3.44Å; E69-L89 WeakPolarHBondContact CA-O 3.46Å; E69-V90 HydrophobicContact CG-CG1 4.23Å; E69-V90 HydrophobicContact CG-CG2 4.07Å; E69-L130 CarbonylContact O-C 3.59Å; E69-L130 VanDerWaalsContact O-CA 3.25Å; E69-L130 WeakPolarHBondContact O-CA 3.26Å; E69-R131 HydrophobicContact CB-CB 4.37Å; E69-R131 PolarHBondContact N-O 2.93Å; E69-R131 PolarHBondContact O-N 2.95Å; E69-R131 IonicContact OE1-NH2 3.45Å; E69-R131 IonicContact OE2-CZ 3.23Å; E69-R131 VanDerWaalsContact OE2-CZ 3.27Å; E69-R131 IonicContact OE2-NE 2.77Å; E69-R131 PolarHBondContact OE2-NE 3.17Å; E69-R131 IonicContact OE2-NH2 2.65Å; E69-R131 PolarHBondContact OE2-NH2 2.89Å
70F98.8Very high95.2Very high0 Ų039 Ų390%017%0.168CC..EExtended strand (participates in β ladder)trans-102.3119.4162.9179.1-85.3000107.7V46 V87 S88 L89 F109 V112 K114 Y128 L130 I147V46-F70 HydrophobicContact CB-CD2 4.35Å; V46-F70 HydrophobicContact CG1-CD2 4.2Å; V46-F70 HydrophobicContact CG1-CE2 4.46Å; V46-F70 HydrophobicContact CG2-CD2 3.98Å; V46-F70 HydrophobicContact CG2-CE2 3.73Å; F70-V87 HydrophobicContact CD1-CG1 4.33Å; F70-V87 HydrophobicContact CD1-CG2 4.38Å; F70-V87 HydrophobicContact CE1-CG1 3.9Å; F70-V87 HydrophobicContact CE1-CG2 4.41Å; F70-S88 WeakPolarHBondContact O-CA 3.29Å; F70-L89 HydrophobicContact CB-CB 4.24Å; F70-L89 HydrophobicContact CD1-CD1 4.48Å; F70-L89 PolarHBondContact N-O 3.13Å; F70-L89 PolarHBondContact O-N 2.93Å; F70-F109 HydrophobicContact CB-CD2 4.1Å; F70-F109 HydrophobicContact CB-CE2 4.06Å; F70-F109 HydrophobicContact CB-CG 4.5Å; F70-F109 HydrophobicContact CB-CZ 4.43Å; F70-V112 HydrophobicContact CD1-CG1 3.54Å; F70-V112 HydrophobicContact CD2-CG1 4.37Å; F70-V112 HydrophobicContact CE1-CG1 3.26Å; F70-V112 HydrophobicContact CE2-CG1 4.12Å; F70-V112 HydrophobicContact CG-CG1 4.1Å; F70-V112 HydrophobicContact CZ-CG1 3.59Å; F70-K114 HydrophobicContact CE1-CG 4.45Å; F70-K114 HydrophobicContact CZ-CD 4.08Å; F70-K114 HydrophobicContact CZ-CG 4.03Å; F70-Y128 AromaticContact CE1-CD1 3.99Å; F70-Y128 HydrophobicContact CE1-CD1 3.99Å; F70-Y128 AromaticContact CZ-CD1 3.83Å; F70-Y128 HydrophobicContact CZ-CD1 3.83Å; F70-L130 HydrophobicContact CB-CD2 4.16Å; F70-L130 HydrophobicContact CD2-CD2 4.11Å; F70-L130 HydrophobicContact CD2-CG 4.49Å; F70-I147 HydrophobicContact CE2-CD1 3.58Å; F70-I147 HydrophobicContact CZ-CD1 4.14Å
71V98.7Very high94.9Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-125.3131.6-175.3-175.90000109.4E69 Q73 E85 V87 Y128 F129E69-V71 HydrophobicContact CB-CG2 4.04Å; V71-Q73 HydrophobicContact CG1-CB 4.26Å; V71-E85 HydrophobicContact CG1-CG 3.89Å; V71-V87 WeakPolarHBondContact CA-O 3.36Å; V71-Y128 CarbonylContact O-C 3.55Å; V71-Y128 VanDerWaalsContact O-CA 3.26Å; V71-Y128 WeakPolarHBondContact O-CA 3.48Å; V71-F129 HydrophobicContact CB-CD2 4.4Å; V71-F129 HydrophobicContact CB-CE1 4.01Å; V71-F129 HydrophobicContact CB-CE2 3.89Å; V71-F129 HydrophobicContact CB-CZ 3.68Å; V71-F129 HydrophobicContact CG1-CE1 3.99Å; V71-F129 HydrophobicContact CG1-CE2 4.42Å; V71-F129 HydrophobicContact CG1-CZ 3.73Å; V71-F129 HydrophobicContact CG2-CE2 4.14Å; V71-F129 HydrophobicContact CG2-CZ 4.26Å; V71-F129 PolarHBondContact N-O 2.93Å; V71-F129 PolarHBondContact O-N 2.9Å
72G98.5Very high94.7Very high0 Ų039.5 Ų39.50%020%0.198CC..EExtended strand (participates in β ladder)trans-119.2123.1163.700000108.7F86 V87 R127G72-F86 VanDerWaalsContact C-CE1 3.41Å; G72-F86 VanDerWaalsContact C-CZ 3.49Å; G72-F86 WeakPolarHBondContact O-CD1 3.35Å; G72-F86 PolarHBondContact O-N 2.77Å; G72-V87 VanDerWaalsContact N-CG1 3.34Å; G72-V87 PolarHBondContact N-O 3.08Å; G72-V87 PolarHBondContact O-N 3.19Å; G72-R127 WeakPolarHBondContact CA-O 3.34Å
73Q97.9Very high94.6Very high6 Ų638.8 Ų38.83%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-141.4156.7-17372.9-17622.800112.9V71 E75 H84 E85 F86 L126 R127 F129V71-Q73 HydrophobicContact CG1-CB 4.26Å; Q73-E75 HydrophobicContact CG-CG 4.25Å; Q73-E75 PolarHBondContact NE2-OE1 2.74Å; Q73-H84 WeakPolarHBondContact CA-O 3.28Å; Q73-E85 HydrophobicContact CB-CG 4.15Å; Q73-F86 VanDerWaalsContact C-CE1 3.5Å; Q73-F86 VanDerWaalsContact N-CE1 3.34Å; Q73-L126 WeakPolarHBondContact O-CA 3.36Å; Q73-R127 HydrophobicContact CG-CG 4.27Å; Q73-R127 PolarHBondContact N-O 2.96Å; Q73-R127 PolarHBondContact O-N 2.92Å; Q73-R127 VanDerWaalsContact O-N 3.14Å; Q73-F129 HydrophobicContact CG-CE1 4Å
74I97.8Very high94.5Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-107.4125170.3-58.8172.3000108.1L76 H84 F86 V124 K125 L126 I262 N263 K265 F266I74-L76 HydrophobicContact CG2-CD2 4.05Å; I74-L76 HydrophobicContact CG2-CG 4.32Å; I74-H84 HydrophobicContact CB-CB 4.33Å; I74-H84 PolarHBondContact N-O 2.83Å; I74-H84 PolarHBondContact O-N 3.49Å; I74-F86 HydrophobicContact CD1-CD1 4.28Å; I74-F86 HydrophobicContact CD1-CE1 4.48Å; I74-F86 HydrophobicContact CG1-CD1 3.91Å; I74-F86 HydrophobicContact CG1-CE1 3.81Å; I74-V124 HydrophobicContact CG2-CG2 3.55Å; I74-K125 CarbonylContact C-O 3.51Å; I74-K125 WeakPolarHBondContact CA-O 3.43Å; I74-L126 HydrophobicContact CD1-CD1 4.34Å; I74-L126 HydrophobicContact CG1-CB 4.46Å; I74-L126 HydrophobicContact CG1-CD1 4.06Å; I74-L126 HydrophobicContact CG1-CG 4.1Å; I74-I262 HydrophobicContact CD1-CG2 4.17Å; I74-N263 HydrophobicContact CD1-CB 3.74Å; I74-K265 HydrophobicContact CD1-CB 4.16Å; I74-K265 HydrophobicContact CD1-CG 4.17Å; I74-K265 HydrophobicContact CG2-CB 4.34Å; I74-F266 HydrophobicContact CD1-CD1 4.4Å; I74-F266 HydrophobicContact CD1-CE1 4.09Å; I74-F266 HydrophobicContact CG1-CE1 4.41Å; I74-F266 HydrophobicContact CG2-CD1 4.3Å; I74-F266 HydrophobicContact CG2-CE1 4.37Å
75E96Very high94.5Very high22 Ų2239 Ų3910%0.10320%0.196CC..EExtended strand (participates in β ladder)trans-106.9119.9175.7-58.7172.7-171.300108.2Q73 V124 K125 R127Q73-E75 HydrophobicContact CG-CG 4.25Å; Q73-E75 PolarHBondContact NE2-OE1 2.74Å; E75-V124 CarbonylContact O-C 3.51Å; E75-V124 WeakPolarHBondContact O-CA 3.42Å; E75-K125 HydrophobicContact CB-CB 4.33Å; E75-K125 PolarHBondContact N-O 2.91Å; E75-K125 PolarHBondContact O-N 2.99Å; E75-K125 IonicContact OE2-NZ 2.71Å; E75-R127 WeakPolarHBondContact OE1-CD 3.26Å; E75-R127 IonicContact OE1-NH1 3.73Å; E75-R127 PolarHBondContact OE1-NH1 2.92Å
76L94.5Very high94.5Very high1 Ų141 Ų411%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-102.6123.1178.5-60.2169.2000108.5I74 Y78 D79 R80 V124 T215 K265I74-L76 HydrophobicContact CG2-CD2 4.05Å; I74-L76 HydrophobicContact CG2-CG 4.32Å; L76-Y78 VanDerWaalsContact C-N 3.26Å; L76-Y78 HydrophobicContact CB-CD1 4.18Å; L76-Y78 HydrophobicContact CB-CE1 3.82Å; L76-Y78 HydrophobicContact CD1-CE1 4.18Å; L76-Y78 WeakPolarHBondContact CD1-OH 3.4Å; L76-Y78 HydrophobicContact CD2-CE1 4.28Å; L76-Y78 HydrophobicContact CG-CE1 4.31Å; L76-Y78 PolarHBondContact O-N 3.32Å; L76-D79 CarbonylContact O-C 3.6Å; L76-D79 PolarHBondContact O-N 3.08Å; L76-R80 PolarHBondContact O-N 3.22Å; L76-V124 HydrophobicContact CD2-CB 4.17Å; L76-V124 HydrophobicContact CD2-CG2 3.71Å; L76-T215 HydrophobicContact CD2-CG2 3.39Å; L76-K265 HydrophobicContact CD1-CD 4.23Å
77Y92.6Very high94.4Very high40 Ų4041.6 Ų41.616%0.15721%0.207CC..G310 helixtrans-73.7-17.2-170.9-64.2-20000114.6E30 D79 R80 Q122 N123 K125E30-Y77 VanDerWaalsContact CG-OH 3.29Å; E30-Y77 WeakPolarHBondContact CG-OH 3.27Å; E30-Y77 PolarHBondContact OE1-OH 3.08Å; Y77-D79 VanDerWaalsContact C-N 3.29Å; Y77-R80 WeakPolarHBondContact O-CG 3.15Å; Y77-Q122 WeakPolarHBondContact CD2-O 3.46Å; Y77-N123 PolarHBondContact N-O 3.48Å; Y77-K125 HydrophobicContact CE1-CB 4.2Å
78Y88.6Confident94.4Very high86 Ų8642.1 Ų42.134%0.33722%0.216SC..G310 helixtrans-78.2-16170.368.1-100.4000112.6L76 T215 G216 Y222L76-Y78 VanDerWaalsContact C-N 3.26Å; L76-Y78 HydrophobicContact CB-CD1 4.18Å; L76-Y78 HydrophobicContact CB-CE1 3.82Å; L76-Y78 HydrophobicContact CD1-CE1 4.18Å; L76-Y78 WeakPolarHBondContact CD1-OH 3.4Å; L76-Y78 HydrophobicContact CD2-CE1 4.28Å; L76-Y78 HydrophobicContact CG-CE1 4.31Å; L76-Y78 PolarHBondContact O-N 3.32Å; Y78-T215 HydrophobicContact CE1-CG2 4.04Å; Y78-G216 WeakPolarHBondContact OH-CA 3.34Å; Y78-Y222 AromaticContact CD1-CD2 3.82Å; Y78-Y222 HydrophobicContact CD1-CD2 3.82Å; Y78-Y222 AromaticContact CD1-CE2 3.66Å; Y78-Y222 HydrophobicContact CD1-CE2 3.66Å; Y78-Y222 HydrophobicContact CD2-CE2 4.26Å; Y78-Y222 HydrophobicContact CE1-CD2 4.08Å; Y78-Y222 HydrophobicContact CE1-CE2 4.04Å; Y78-Y222 HydrophobicContact CG-CD2 4.39Å; Y78-Y222 AromaticContact CG-CE2 3.77Å; Y78-Y222 HydrophobicContact CG-CE2 3.77Å
79D87.3Confident94.4Very high65 Ų6545 Ų4535%0.34823%0.231SC..G310 helixtrans-135.554.1179.7-169.614.3000110.3L76 Y77 G81 N82L76-D79 CarbonylContact O-C 3.6Å; L76-D79 PolarHBondContact O-N 3.08Å; Y77-D79 VanDerWaalsContact C-N 3.29Å; D79-G81 PolarHBondContact O-N 2.81Å; D79-N82 HydrophobicContact CB-CB 4.45Å; D79-N82 VanDerWaalsContact CG-CB 3.4Å; D79-N82 PolarHBondContact O-N 3.19Å; D79-N82 WeakPolarHBondContact OD2-CB 3.19Å; D79-N82 PolarHBondContact OD2-ND2 2.8Å
80R81.1Confident94.3Very high166 Ų16648.1 Ų48.163%0.62625%0.251SS*.THydrogen-bonded Turntrans-57.4-22.5-171.8-75.5-175.3177-156.5-6.5114.8L76 Y77 N82 H83L76-R80 PolarHBondContact O-N 3.22Å; Y77-R80 WeakPolarHBondContact O-CG 3.15Å; R80-N82 VanDerWaalsContact C-N 3.26Å; R80-H83 PolarHBondContact O-CE1 2.69Å
81G85.5Confident94.3Very high76 Ų7651.8 Ų51.878%0.78427%0.267SS*.THydrogen-bonded Turntrans-77.9-10.317800000113.9D79D79-G81 PolarHBondContact O-N 2.81Å
82N89.5Confident94.3Very high70 Ų7057.9 Ų57.937%0.37430%0.3SS..  trans-117.998.2-172.1-1666.8000110.6D79 R80D79-N82 HydrophobicContact CB-CB 4.45Å; D79-N82 VanDerWaalsContact CG-CB 3.4Å; D79-N82 PolarHBondContact O-N 3.19Å; D79-N82 WeakPolarHBondContact OD2-CB 3.19Å; D79-N82 PolarHBondContact OD2-ND2 2.8Å; R80-N82 VanDerWaalsContact C-N 3.26Å
83H93.3Very high94.3Very high97 Ų9759.2 Ų59.245%0.44931%0.307SS..EExtended strand (participates in β ladder)trans-85.1131.3175.7-54.7-51.4000110.1R80R80-H83 PolarHBondContact O-CE1 2.69Å
84H95Very high94.3Very high36 Ų3660.2 Ų60.217%0.16732%0.316CS..EExtended strand (participates in β ladder)trans-100.787176.1-62.4-49.5000109.9Q73 I74 F86 K265Q73-H84 WeakPolarHBondContact CA-O 3.28Å; I74-H84 HydrophobicContact CB-CB 4.33Å; I74-H84 PolarHBondContact N-O 2.83Å; I74-H84 PolarHBondContact O-N 3.49Å; H84-F86 PolarHBondContact O-N 2.87Å; H84-K265 PolarHBondContact CD2-NZ 2.87Å; H84-K265 PolarHBondContact CE1-NZ 2.9Å; H84-K265 PolarHBondContact NE2-NZ 2.93Å
85E97.3Very high94.3Very high87 Ų8770.7 Ų70.741%0.40736%0.355SS..EExtended strand (participates in β ladder)trans-66128171.7-61.8-174.8-170.400109.8V71 Q73 S88V71-E85 HydrophobicContact CG1-CG 3.89Å; Q73-E85 HydrophobicContact CB-CG 4.15Å; E85-S88 VanDerWaalsContact OE2-CB 3.26Å; E85-S88 WeakPolarHBondContact OE2-CB 3.49Å; E85-S88 PolarHBondContact OE2-OG 2.79Å
86F97.3Very high94.4Very high48 Ų4874 Ų7421%0.21138%0.379CS..EExtended strand (participates in β ladder)trans-114.8-14.4173.857.5-98.4000112.3G72 Q73 I74 H84 P115 Y116 L126 Y128G72-F86 VanDerWaalsContact C-CE1 3.41Å; G72-F86 VanDerWaalsContact C-CZ 3.49Å; G72-F86 WeakPolarHBondContact O-CD1 3.35Å; G72-F86 PolarHBondContact O-N 2.77Å; Q73-F86 VanDerWaalsContact C-CE1 3.5Å; Q73-F86 VanDerWaalsContact N-CE1 3.34Å; I74-F86 HydrophobicContact CD1-CD1 4.28Å; I74-F86 HydrophobicContact CD1-CE1 4.48Å; I74-F86 HydrophobicContact CG1-CD1 3.91Å; I74-F86 HydrophobicContact CG1-CE1 3.81Å; H84-F86 PolarHBondContact O-N 2.87Å; F86-P115 HydrophobicContact CD2-CG 4.34Å; F86-P115 HydrophobicContact CE2-CG 4.46Å; F86-Y116 HydrophobicContact CD1-CD2 4.38Å; F86-Y116 HydrophobicContact CD1-CE2 4.49Å; F86-Y116 AromaticContact CD2-CD2 3.94Å; F86-Y116 HydrophobicContact CD2-CD2 3.94Å; F86-Y116 HydrophobicContact CD2-CE2 4.02Å; F86-Y116 HydrophobicContact CE1-CD2 4.24Å; F86-Y116 AromaticContact CE2-CD2 3.8Å; F86-Y116 HydrophobicContact CE2-CD2 3.8Å; F86-Y116 HydrophobicContact CE2-CE2 4.36Å; F86-Y116 HydrophobicContact CG-CD2 4.24Å; F86-Y116 HydrophobicContact CG-CE2 4.1Å; F86-Y116 AromaticContact CZ-CD2 3.96Å; F86-Y116 HydrophobicContact CZ-CD2 3.96Å; F86-L126 HydrophobicContact CE1-CD1 4.24Å; F86-L126 HydrophobicContact CE1-CD2 4.28Å; F86-L126 HydrophobicContact CE1-CG 3.97Å; F86-L126 HydrophobicContact CZ-CD1 4.38Å; F86-L126 HydrophobicContact CZ-CD2 3.91Å; F86-L126 HydrophobicContact CZ-CG 4.1Å; F86-Y128 AromaticContact CE2-CE1 3.56Å; F86-Y128 HydrophobicContact CE2-CE1 3.56Å; F86-Y128 AromaticContact CE2-CZ 3.67Å; F86-Y128 WeakPolarHBondContact CE2-OH 3.32Å; F86-Y128 AromaticContact CZ-CE1 3.77Å; F86-Y128 HydrophobicContact CZ-CE1 3.77Å; F86-Y128 HydrophobicContact CZ-CE2 4.3Å; F86-Y128 AromaticContact CZ-CZ 3.63Å
87V97.5Very high94.5Very high15 Ų1575.5 Ų75.59%0.09140%0.395CS..EExtended strand (participates in β ladder)trans-140.8131.7165.662.40000108.6F70 V71 G72 L89 Y128F70-V87 HydrophobicContact CD1-CG1 4.33Å; F70-V87 HydrophobicContact CD1-CG2 4.38Å; F70-V87 HydrophobicContact CE1-CG1 3.9Å; F70-V87 HydrophobicContact CE1-CG2 4.41Å; V71-V87 WeakPolarHBondContact CA-O 3.36Å; G72-V87 VanDerWaalsContact N-CG1 3.34Å; G72-V87 PolarHBondContact N-O 3.08Å; G72-V87 PolarHBondContact O-N 3.19Å; V87-L89 HydrophobicContact CG2-CG 4.35Å; V87-Y128 HydrophobicContact CG1-CD1 4.3Å; V87-Y128 HydrophobicContact CG1-CE1 4.04Å
88S97.3Very high94.6Very high57 Ų5778 Ų7840%0.39941%0.408SS..EExtended strand (participates in β ladder)trans-147.8107.3-177.9-160.90000108.5F70 E85F70-S88 WeakPolarHBondContact O-CA 3.29Å; E85-S88 VanDerWaalsContact OE2-CB 3.26Å; E85-S88 WeakPolarHBondContact OE2-CB 3.49Å; E85-S88 PolarHBondContact OE2-OG 2.79Å
89L98.4Very high94.9Very high60 Ų6074 Ų7431%0.31439%0.392SS..EExtended strand (participates in β ladder)trans-116.7133.9178.6-53.7176.6000108.7E69 F70 V87 F109 V112E69-L89 CarbonylContact C-O 3.44Å; E69-L89 WeakPolarHBondContact CA-O 3.46Å; F70-L89 HydrophobicContact CB-CB 4.24Å; F70-L89 HydrophobicContact CD1-CD1 4.48Å; F70-L89 PolarHBondContact N-O 3.13Å; F70-L89 PolarHBondContact O-N 2.93Å; V87-L89 HydrophobicContact CG2-CG 4.35Å; L89-F109 HydrophobicContact CB-CD1 3.78Å; L89-F109 HydrophobicContact CB-CE1 3.76Å; L89-F109 HydrophobicContact CD1-CB 4.25Å; L89-F109 HydrophobicContact CD1-CD1 4.12Å; L89-F109 HydrophobicContact CD1-CG 4.4Å; L89-V112 HydrophobicContact CD1-CB 4.42Å; L89-V112 HydrophobicContact CD1-CG1 3.98Å; L89-V112 HydrophobicContact CD1-CG2 3.96Å
90V98.6Very high95.2Very high79 Ų7975.1 Ų75.148%0.47940%0.401SS..EExtended strand (participates in β ladder)trans-122.8135.6-178-174.60000109.6K67 E69K67-V90 HydrophobicContact CB-CG1 4.33Å; K67-V90 HydrophobicContact CD-CG1 4.03Å; E69-V90 HydrophobicContact CG-CG1 4.23Å; E69-V90 HydrophobicContact CG-CG2 4.07Å
91K98.4Very high95.8Very high77 Ų7773.6 Ų73.634%0.33540%0.401SS..EExtended strand (participates in β ladder)trans-128.2117.4170-171173.2-171.4169.70109.6K67 I68 L93 F107 E108 F109K67-K91 WeakPolarHBondContact CA-O 3.17Å; I68-K91 HydrophobicContact CG2-CB 3.85Å; I68-K91 PolarHBondContact N-O 3.34Å; I68-K91 PolarHBondContact O-N 3.12Å; K91-L93 HydrophobicContact CG-CD2 4.37Å; K91-L93 PolarHBondContact O-N 2.91Å; K91-F107 HydrophobicContact CD-CB 4.16Å; K91-E108 PolarHBondContact NZ-O 2.82Å; K91-F109 HydrophobicContact CB-CE1 3.83Å; K91-F109 HydrophobicContact CB-CZ 3.9Å
92D98.4Very high96.2Very high127 Ų12773 Ų7368%0.67939%0.385SS*.EExtended strand (participates in β ladder)trans-73.5122.5171.9-64.8-43.2000109.5
93L98.2Very high96.5Very high29 Ų2972.9 Ų72.915%0.15238%0.383CS..EExtended strand (participates in β ladder)trans-96.3-31.7-177.5-59.8179.4000112.1V50 I66 I68 K91 F105 F107V50-L93 HydrophobicContact CB-CD1 3.87Å; V50-L93 HydrophobicContact CG1-CD1 4.41Å; V50-L93 HydrophobicContact CG2-CD1 3.63Å; I66-L93 HydrophobicContact CB-CB 4.34Å; I66-L93 HydrophobicContact CG2-CB 4.19Å; I66-L93 HydrophobicContact CG2-CD1 4.27Å; I66-L93 WeakPolarHBondContact O-CA 3.22Å; I66-L93 WeakPolarHBondContact O-CB 3.29Å; I66-L93 PolarHBondContact O-N 2.81Å; I68-L93 HydrophobicContact CB-CD1 3.92Å; I68-L93 HydrophobicContact CB-CG 4.43Å; I68-L93 HydrophobicContact CG2-CD1 3.88Å; I68-L93 HydrophobicContact CG2-CD2 3.81Å; I68-L93 HydrophobicContact CG2-CG 3.94Å; K91-L93 HydrophobicContact CG-CD2 4.37Å; K91-L93 PolarHBondContact O-N 2.91Å; L93-F105 HydrophobicContact CB-CB 3.93Å; L93-F105 HydrophobicContact CB-CD1 4.19Å; L93-F105 HydrophobicContact CB-CG 4.08Å; L93-F105 HydrophobicContact CD1-CB 3.92Å; L93-F105 HydrophobicContact CD2-CB 4.28Å; L93-F105 HydrophobicContact CG-CB 4.27Å; L93-F107 HydrophobicContact CD2-CB 4.05Å
94A98Very high96.8Very high26 Ų2671.9 Ų71.922%0.21538%0.383CS..EExtended strand (participates in β ladder)trans-148.9141.5175.300000111.4G65 I66 F105G65-A94 WeakPolarHBondContact CA-O 3.43Å; I66-A94 HydrophobicContact CB-CB 3.99Å; I66-A94 HydrophobicContact CD1-CB 3.96Å; I66-A94 HydrophobicContact CG1-CB 4.01Å; I66-A94 PolarHBondContact N-O 2.84Å; I66-A94 PolarHBondContact O-N 2.84Å; I66-A94 VanDerWaalsContact O-N 3.15Å; A94-F105 HydrophobicContact CB-CE1 3.96Å; A94-F105 HydrophobicContact CB-CZ 4.32Å
95R97.9Very high96.9Very high221 Ų22171.6 Ų71.683%0.83438%0.382SS*.  trans-68.5164.6169.6-68.9-177-175.5174.81.9110.7H63 G97H63-R95 PolarHBondContact CE1-O 2.96Å; R95-G97 PolarHBondContact O-N 3.36Å
96P98.1Very high97Very high91 Ų9172.4 Ų72.459%0.59139%0.389SS*.SBendtrans-48.7134.9171.1-2632000112.1H63 H64H63-P96 WeakPolarHBondContact O-CA 3.43Å; H64-P96 WeakPolarHBondContact O-CG 3.42Å
97G96.3Very high97.1Very high33 Ų3370.3 Ų70.334%0.3438%0.379SS..EExtended strand (participates in β ladder)trans177.3-160-173.200000114.1H63 R95H63-G97 PolarHBondContact CD2-O 2.8Å; H63-G97 VanDerWaalsContact CD2-O 3.22Å; H63-G97 PolarHBondContact N-O 2.75Å; H63-G97 PolarHBondContact O-N 3.36Å; R95-G97 PolarHBondContact O-N 3.36Å
98E94.9Very high97.1Very high92 Ų9274.5 Ų74.543%0.4340%0.398SS..EExtended strand (participates in β ladder)trans-126.3134.6179.6-58-173.1173.600110.4R60 L61 E62R60-E98 WeakPolarHBondContact CD-OE2 3.19Å; R60-E98 IonicContact CZ-OE1 3.76Å; R60-E98 VanDerWaalsContact CZ-OE1 3.23Å; R60-E98 IonicContact CZ-OE2 3.66Å; R60-E98 IonicContact NE-OE1 3.49Å; R60-E98 IonicContact NE-OE2 2.81Å; R60-E98 VanDerWaalsContact NH1-CD 3.33Å; R60-E98 IonicContact NH1-OE1 3.55Å; R60-E98 PolarHBondContact NH1-OE1 3.48Å; R60-E98 IonicContact NH1-OE2 3.18Å; R60-E98 PolarHBondContact NH1-OE2 3.12Å; R60-E98 IonicContact NH2-OE1 2.71Å; L61-E98 WeakPolarHBondContact O-CA 3.28Å; E62-E98 HydrophobicContact CG-CG 3.92Å
99I93.9Very high97.2Very high2 Ų272.6 Ų72.61%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-100.6117.2169.3-66.3175.3000108.3V52 L54 R60 L61 I66 Q101V52-I99 HydrophobicContact CG1-CD1 4.02Å; L54-I99 HydrophobicContact CD1-CG2 4.08Å; L54-I99 HydrophobicContact CD2-CB 4.47Å; L54-I99 HydrophobicContact CD2-CG2 3.85Å; L54-I99 HydrophobicContact CG-CG2 4.05Å; R60-I99 CarbonylContact C-O 3.48Å; R60-I99 WeakPolarHBondContact CA-O 3.45Å; L61-I99 HydrophobicContact CB-CB 4.34Å; L61-I99 PolarHBondContact N-O 2.86Å; L61-I99 PolarHBondContact O-N 2.83Å; I66-I99 HydrophobicContact CD1-CD1 3.49Å; I66-I99 VanDerWaalsContact CD1-CD1 3.49Å; I66-I99 HydrophobicContact CD1-CG1 4.49Å; I99-Q101 WeakPolarHBondContact CG2-O 3.42Å
100T93.5Very high97.1Very high89 Ų8973.4 Ų73.455%0.54639%0.39SS..  trans-98.7-22.2176.554.40000113.5L54 R60L54-T100 WeakPolarHBondContact CD1-O 3.2Å; R60-T100 HydrophobicContact CB-CG2 4.37Å
101Q93.8Very high96.9Very high133 Ų13377 Ų7762%0.62140%0.401SS*.SBendtrans-138151.9178.363.1-175.1-4.800110.4I99 Q103I99-Q101 WeakPolarHBondContact CG2-O 3.42Å; Q101-Q103 HydrophobicContact CG-CG 4.4Å; Q101-Q103 WeakPolarHBondContact O-CG 3.42Å; Q101-Q103 PolarHBondContact O-N 2.85Å; Q101-Q103 PolarHBondContact O-NE2 2.86Å
102S95.2Very high96.9Very high64 Ų6473.4 Ų73.445%0.44839%0.386SS..  trans-54.3137174.7-57.30000110.8V52 L54V52-S102 VanDerWaalsContact O-CA 3.27Å; V52-S102 WeakPolarHBondContact O-CA 3.45Å; L54-S102 PolarHBondContact N-OG 2.85Å; L54-S102 VanDerWaalsContact N-OG 3.13Å
103Q96.1Very high96.8Very high68 Ų6874.1 Ų74.132%0.31839%0.385SS..EExtended strand (participates in β ladder)trans-139.6154.5-171.3-81.7173.969.100111.1V52 Q101 F105V52-Q103 PolarHBondContact N-O 2.96Å; V52-Q103 PolarHBondContact O-N 2.9Å; Q101-Q103 HydrophobicContact CG-CG 4.4Å; Q101-Q103 WeakPolarHBondContact O-CG 3.42Å; Q101-Q103 PolarHBondContact O-N 2.85Å; Q101-Q103 PolarHBondContact O-NE2 2.86Å; Q103-F105 HydrophobicContact CB-CE2 3.97Å; Q103-F105 HydrophobicContact CB-CZ 4Å
104T98.3Very high96.7Very high76 Ų7672.7 Ų72.747%0.46638%0.378SS..EExtended strand (participates in β ladder)trans-122.2137.7178.4-62.70000109.5K49 V50 N51K49-T104 HydrophobicContact CB-CG2 3.73Å; K49-T104 HydrophobicContact CD-CG2 3.79Å; K49-T104 HydrophobicContact CG-CG2 4.29Å; V50-T104 CarbonylContact O-C 3.42Å; V50-T104 WeakPolarHBondContact O-CA 3.44Å; N51-T104 WeakPolarHBondContact OD1-CG2 3.42Å; N51-T104 PolarHBondContact OD1-OG1 2.76Å
105F98.4Very high96.7Very high30 Ų3074.3 Ų74.313%0.13239%0.386CS..EExtended strand (participates in β ladder)trans-124.4124.3-178.8-57.3-86.9000110.2K49 V50 V52 I66 L93 A94 Q103K49-F105 CarbonylContact C-O 3.55Å; K49-F105 WeakPolarHBondContact CA-O 3.49Å; V50-F105 PolarHBondContact N-O 2.82Å; V50-F105 PolarHBondContact O-N 2.89Å; V52-F105 HydrophobicContact CB-CE2 4.48Å; V52-F105 HydrophobicContact CG2-CD2 4.24Å; V52-F105 HydrophobicContact CG2-CE2 4.02Å; I66-F105 HydrophobicContact CD1-CE2 3.86Å; I66-F105 HydrophobicContact CD1-CZ 3.86Å; L93-F105 HydrophobicContact CB-CB 3.93Å; L93-F105 HydrophobicContact CB-CD1 4.19Å; L93-F105 HydrophobicContact CB-CG 4.08Å; L93-F105 HydrophobicContact CD1-CB 3.92Å; L93-F105 HydrophobicContact CD2-CB 4.28Å; L93-F105 HydrophobicContact CG-CB 4.27Å; A94-F105 HydrophobicContact CB-CE1 3.96Å; A94-F105 HydrophobicContact CB-CZ 4.32Å; Q103-F105 HydrophobicContact CB-CE2 3.97Å; Q103-F105 HydrophobicContact CB-CZ 4Å
106D98.6Very high96.7Very high103 Ų10366.6 Ų66.655%0.55136%0.357SS*.EExtended strand (participates in β ladder)trans-79142.8177.2-62.1-32.9000110.9K49K49-D106 VanDerWaalsContact CD-OD1 3.26Å; K49-D106 WeakPolarHBondContact CD-OD1 3.4Å; K49-D106 WeakPolarHBondContact CE-OD1 3.25Å; K49-D106 VanDerWaalsContact CG-OD1 3.28Å; K49-D106 WeakPolarHBondContact CG-OD1 3.46Å; K49-D106 IonicContact NZ-OD1 3.76Å; K49-D106 PolarHBondContact NZ-OD1 2.8Å; K49-D106 IonicContact NZ-OD2 2.67Å
107F98.6Very high96.6Very high4 Ų462.7 Ų62.72%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-136.7155.2174.176.4-91.9000112V14 L16 V46 S47 G48 V50 I68 K91 L93 F109 L130V14-F107 HydrophobicContact CG1-CE1 4.04Å; V14-F107 HydrophobicContact CG1-CZ 4.2Å; L16-F107 HydrophobicContact CD2-CZ 4.48Å; V46-F107 HydrophobicContact CG1-CE2 4.4Å; S47-F107 WeakPolarHBondContact CA-O 3.37Å; G48-F107 VanDerWaalsContact CA-CE1 3.49Å; G48-F107 PolarHBondContact N-O 3.46Å; G48-F107 VanDerWaalsContact O-CD1 3.27Å; G48-F107 WeakPolarHBondContact O-CD1 3.27Å; G48-F107 PolarHBondContact O-N 2.73Å; V50-F107 HydrophobicContact CG2-CD1 3.95Å; V50-F107 HydrophobicContact CG2-CE1 4.22Å; I68-F107 HydrophobicContact CG1-CD1 4.31Å; I68-F107 HydrophobicContact CG1-CD2 4.31Å; I68-F107 HydrophobicContact CG1-CE1 4.5Å; I68-F107 HydrophobicContact CG1-CG 4.21Å; I68-F107 HydrophobicContact CG2-CB 3.67Å; I68-F107 HydrophobicContact CG2-CD2 4.43Å; I68-F107 HydrophobicContact CG2-CG 3.98Å; K91-F107 HydrophobicContact CD-CB 4.16Å; L93-F107 HydrophobicContact CD2-CB 4.05Å; F107-F109 AromaticContact CD2-CD2 3.92Å; F107-F109 HydrophobicContact CD2-CD2 3.92Å; F107-F109 AromaticContact CD2-CE2 3.82Å; F107-F109 HydrophobicContact CD2-CE2 3.82Å; F107-F109 HydrophobicContact CE2-CD2 4.25Å; F107-F109 HydrophobicContact CE2-CE2 4.27Å; F107-L130 HydrophobicContact CE2-CD1 4.09Å; F107-L130 HydrophobicContact CE2-CD2 3.97Å; F107-L130 HydrophobicContact CZ-CD1 3.78Å; F107-L130 HydrophobicContact CZ-CD2 4.31Å
108E98.5Very high96.8Very high104 Ų10461.4 Ų61.449%0.48632%0.317SS..EExtended strand (participates in β ladder)trans-156.5128.1177.9-178.8173-165.500108.7T45 K91 T110T45-E108 HydrophobicContact CG2-CG 3.8Å; K91-E108 PolarHBondContact NZ-O 2.82Å; E108-T110 HydrophobicContact CG-CG2 4Å
109F98.4Very high96.9Very high17 Ų1757.2 Ų57.28%0.07530%0.297CS..EExtended strand (participates in β ladder)trans-117.2112.6168.8-59.3-75.1000107.8T45 V46 I68 F70 L89 K91 F107 V112 L130T45-F109 CarbonylContact C-O 3.56Å; T45-F109 VanDerWaalsContact CA-O 3.27Å; T45-F109 WeakPolarHBondContact CA-O 3.11Å; T45-F109 WeakPolarHBondContact CG2-O 3.46Å; V46-F109 HydrophobicContact CB-CB 4.49Å; V46-F109 PolarHBondContact N-O 2.85Å; V46-F109 PolarHBondContact O-N 2.82Å; I68-F109 HydrophobicContact CG1-CE2 4.21Å; I68-F109 HydrophobicContact CG2-CE2 4.21Å; I68-F109 HydrophobicContact CG2-CZ 4.01Å; F70-F109 HydrophobicContact CB-CD2 4.1Å; F70-F109 HydrophobicContact CB-CE2 4.06Å; F70-F109 HydrophobicContact CB-CG 4.5Å; F70-F109 HydrophobicContact CB-CZ 4.43Å; L89-F109 HydrophobicContact CB-CD1 3.78Å; L89-F109 HydrophobicContact CB-CE1 3.76Å; L89-F109 HydrophobicContact CD1-CB 4.25Å; L89-F109 HydrophobicContact CD1-CD1 4.12Å; L89-F109 HydrophobicContact CD1-CG 4.4Å; K91-F109 HydrophobicContact CB-CE1 3.83Å; K91-F109 HydrophobicContact CB-CZ 3.9Å; F107-F109 AromaticContact CD2-CD2 3.92Å; F107-F109 HydrophobicContact CD2-CD2 3.92Å; F107-F109 AromaticContact CD2-CE2 3.82Å; F107-F109 HydrophobicContact CD2-CE2 3.82Å; F107-F109 HydrophobicContact CE2-CD2 4.25Å; F107-F109 HydrophobicContact CE2-CE2 4.27Å; F109-V112 HydrophobicContact CB-CG2 3.46Å; F109-V112 VanDerWaalsContact CB-CG2 3.46Å; F109-V112 VanDerWaalsContact O-CG2 3.3Å; F109-V112 WeakPolarHBondContact O-CG2 3.44Å; F109-L130 HydrophobicContact CD2-CD2 4.37Å; F109-L130 HydrophobicContact CE2-CD2 4Å
110T97.5Very high97.1Very high76 Ų7658.2 Ų58.247%0.46630%0.303SS..  trans-92.5152.517961.50000111.1T45 E108 V112T45-T110 HydrophobicContact CG2-CG2 4.36Å; E108-T110 HydrophobicContact CG-CG2 4Å; T110-V112 VanDerWaalsContact C-N 3.28Å; T110-V112 PolarHBondContact O-N 3.31Å
111H94.5Very high97.2Very high155 Ų15554.7 Ų54.772%0.71829%0.285SS*.SBendtrans5443174.5-52.998.3000113G43 E113G43-H111 WeakPolarHBondContact O-CA 3.48Å; H111-E113 PolarHBondContact O-N 2.81Å
112V96.9Very high97.2Very high1 Ų154.4 Ų54.41%0.00628%0.284CS..  trans-74.1117.7-174.8-177.90000109.8G43 V46 F70 L89 F109 T110 K114G43-V112 WeakPolarHBondContact CA-O 3.4Å; G43-V112 PolarHBondContact N-O 3.46Å; G43-V112 VanDerWaalsContact N-O 3.12Å; V46-V112 HydrophobicContact CB-CG2 4.43Å; V46-V112 HydrophobicContact CG2-CB 4.28Å; V46-V112 HydrophobicContact CG2-CG1 4.47Å; V46-V112 HydrophobicContact CG2-CG2 3.97Å; F70-V112 HydrophobicContact CD1-CG1 3.54Å; F70-V112 HydrophobicContact CD2-CG1 4.37Å; F70-V112 HydrophobicContact CE1-CG1 3.26Å; F70-V112 HydrophobicContact CE2-CG1 4.12Å; F70-V112 HydrophobicContact CG-CG1 4.1Å; F70-V112 HydrophobicContact CZ-CG1 3.59Å; L89-V112 HydrophobicContact CD1-CB 4.42Å; L89-V112 HydrophobicContact CD1-CG1 3.98Å; L89-V112 HydrophobicContact CD1-CG2 3.96Å; F109-V112 HydrophobicContact CB-CG2 3.46Å; F109-V112 VanDerWaalsContact CB-CG2 3.46Å; F109-V112 VanDerWaalsContact O-CG2 3.3Å; F109-V112 WeakPolarHBondContact O-CG2 3.44Å; T110-V112 VanDerWaalsContact C-N 3.28Å; T110-V112 PolarHBondContact O-N 3.31Å; V112-K114 HydrophobicContact CG1-CG 4.16Å; V112-K114 PolarHBondContact O-N 2.89Å; V112-K114 PolarHBondContact O-NZ 3.44Å
113E96.4Very high97.2Very high142 Ų14252.8 Ų52.866%0.66427%0.27SS*.  trans-68.3126.3174.3-64.5-174.1171.600110.8D42 H111D42-E113 WeakPolarHBondContact OD1-CA 3.04Å; H111-E113 PolarHBondContact O-N 2.81Å
114K97.9Very high97.2Very high0 Ų049.5 Ų49.50%026%0.255CS..  trans-136.565.1178.3-51.5175.2-149.868.50108.6F40 Y41 D42 E44 F70 V112 Y116 Y128 V149F40-K114 HydrophobicContact CB-CD 4.08Å; Y41-K114 PolarHBondContact O-NZ 3.02Å; D42-K114 PolarHBondContact OD1-N 2.8Å; E44-K114 PolarHBondContact O-NZ 3Å; F70-K114 HydrophobicContact CE1-CG 4.45Å; F70-K114 HydrophobicContact CZ-CD 4.08Å; F70-K114 HydrophobicContact CZ-CG 4.03Å; V112-K114 HydrophobicContact CG1-CG 4.16Å; V112-K114 PolarHBondContact O-N 2.89Å; V112-K114 PolarHBondContact O-NZ 3.44Å; K114-Y116 PolarHBondContact O-N 3.49Å; K114-Y116 VanDerWaalsContact O-N 3.07Å; K114-Y128 HydrophobicContact CB-CE1 4.01Å; K114-Y128 HydrophobicContact CG-CE1 4.24Å; K114-V149 HydrophobicContact CB-CG1 3.75Å; K114-V149 HydrophobicContact CB-CG2 4.03Å; K114-V149 HydrophobicContact CD-CG1 4.49Å; K114-V149 HydrophobicContact CD-CG2 3.69Å; K114-V149 HydrophobicContact CG-CG2 4.25Å
115P96.2Very high97.2Very high60 Ų6047.2 Ų47.239%0.3924%0.238SC..  trans-67.6-14-165.226.9-36.2000114.3F86F86-P115 HydrophobicContact CD2-CG 4.34Å; F86-P115 HydrophobicContact CE2-CG 4.46Å
116Y97.8Very high97.2Very high58 Ų5845.8 Ų45.823%0.22723%0.232CC..SBendtrans-126.3142.4-173.8-49.6-54.6000111.9F86 K114 L126 Y128 I262 N263F86-Y116 HydrophobicContact CD1-CD2 4.38Å; F86-Y116 HydrophobicContact CD1-CE2 4.49Å; F86-Y116 AromaticContact CD2-CD2 3.94Å; F86-Y116 HydrophobicContact CD2-CD2 3.94Å; F86-Y116 HydrophobicContact CD2-CE2 4.02Å; F86-Y116 HydrophobicContact CE1-CD2 4.24Å; F86-Y116 AromaticContact CE2-CD2 3.8Å; F86-Y116 HydrophobicContact CE2-CD2 3.8Å; F86-Y116 HydrophobicContact CE2-CE2 4.36Å; F86-Y116 HydrophobicContact CG-CD2 4.24Å; F86-Y116 HydrophobicContact CG-CE2 4.1Å; F86-Y116 AromaticContact CZ-CD2 3.96Å; F86-Y116 HydrophobicContact CZ-CD2 3.96Å; K114-Y116 PolarHBondContact O-N 3.49Å; K114-Y116 VanDerWaalsContact O-N 3.07Å; Y116-L126 VanDerWaalsContact CB-CD1 3.5Å; Y116-L126 HydrophobicContact CD2-CD1 4.08Å; Y116-L126 HydrophobicContact CG-CD1 4.05Å; Y116-Y128 PolarHBondContact N-OH 2.96Å; Y116-Y128 WeakPolarHBondContact O-CE2 3.45Å; Y116-Y128 PolarHBondContact O-OH 3.2Å; Y116-I262 HydrophobicContact CD1-CD1 3.96Å; Y116-I262 HydrophobicContact CD1-CG2 3.77Å; Y116-I262 HydrophobicContact CD2-CG2 3.97Å; Y116-I262 HydrophobicContact CE1-CD1 4.41Å; Y116-I262 HydrophobicContact CE1-CG2 4.09Å; Y116-I262 HydrophobicContact CE2-CG2 4.29Å; Y116-I262 HydrophobicContact CG-CG2 3.7Å; Y116-N263 HydrophobicContact CE2-CB 4.12Å
117E98Very high97.1Very high10 Ų1042.5 Ų42.55%0.04721%0.212CC..  trans-71.5138.3172172.8153.6148.200111.5V149 H150 T151 P257 M259 R294E117-V149 WeakPolarHBondContact CA-O 3.47Å; E117-V149 WeakPolarHBondContact CG-O 3.35Å; E117-H150 IonicContact OE1-CD2 2.8Å; E117-H150 WeakPolarHBondContact OE2-CA 3.46Å; E117-H150 IonicContact OE2-CD2 3.95Å; E117-T151 PolarHBondContact N-OG1 2.91Å; E117-T151 PolarHBondContact OE2-N 2.82Å; E117-P257 WeakPolarHBondContact OE1-CD 3.48Å; E117-P257 WeakPolarHBondContact OE1-CG 3.32Å; E117-M259 HydrophobicContact CB-CE 4.03Å; E117-M259 HydrophobicContact CG-CE 3.98Å; E117-R294 IonicContact OE1-CZ 3.49Å; E117-R294 VanDerWaalsContact OE1-CZ 3.24Å; E117-R294 IonicContact OE1-NE 3.79Å; E117-R294 PolarHBondContact OE1-NE 3.32Å; E117-R294 IonicContact OE1-NH2 2.83Å; E117-R294 PolarHBondContact OE1-NH2 3.5Å; E117-R294 IonicContact OE2-NE 3.19Å; E117-R294 PolarHBondContact OE2-NE 2.99Å
118S98.4Very high97.1Very high6 Ų642.3 Ų42.34%0.04221%0.211CC..  trans-57.8139176.3-65.20000111.1L126 V149S118-L126 WeakPolarHBondContact CA-O 3.43Å; S118-V149 PolarHBondContact N-O 3Å; S118-V149 PolarHBondContact OG-N 3.04Å
119Y98Very high97.1Very high3 Ų337.3 Ų37.31%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-146.1132-175.1-178.1-109.8000111.1G121 V124 K125 L126 K211 E213 T256 M259 F266 V268Y119-G121 WeakPolarHBondContact OH-CA 3.44Å; Y119-V124 HydrophobicContact CD1-CG1 4Å; Y119-V124 HydrophobicContact CE1-CG1 3.74Å; Y119-K125 CarbonylContact O-C 3.52Å; Y119-K125 WeakPolarHBondContact O-CA 3.13Å; Y119-L126 PolarHBondContact N-O 3.07Å; Y119-L126 PolarHBondContact O-N 2.87Å; Y119-K211 WeakPolarHBondContact OH-CE 3.43Å; Y119-K211 PolarHBondContact OH-NZ 3.17Å; Y119-E213 WeakPolarHBondContact CE1-OE2 3.44Å; Y119-E213 PolarHBondContact OH-OE2 2.81Å; Y119-T256 HydrophobicContact CD2-CG2 4.2Å; Y119-T256 HydrophobicContact CE2-CG2 4.31Å; Y119-M259 HydrophobicContact CD2-CE 4.01Å; Y119-M259 HydrophobicContact CD2-SD 3.98Å; Y119-M259 HydrophobicContact CG-CE 4.23Å; Y119-M259 HydrophobicContact CG-SD 3.92Å; Y119-F266 HydrophobicContact CD1-CD2 4.36Å; Y119-F266 AromaticContact CD1-CE2 3.63Å; Y119-F266 HydrophobicContact CD1-CE2 3.63Å; Y119-F266 HydrophobicContact CD1-CZ 4.14Å; Y119-F266 HydrophobicContact CE1-CD2 4.46Å; Y119-F266 HydrophobicContact CE1-CE2 4.11Å; Y119-F266 HydrophobicContact CG-CE2 4.23Å; Y119-V268 HydrophobicContact CD1-CG2 4.27Å; Y119-V268 HydrophobicContact CD2-CG2 4.32Å; Y119-V268 HydrophobicContact CE1-CG2 3.71Å; Y119-V268 HydrophobicContact CE2-CG1 4.3Å; Y119-V268 HydrophobicContact CE2-CG2 3.77Å; Y119-V268 VanDerWaalsContact CZ-CG2 3.45Å
120T97.5Very high97.2Very high23 Ų2336.5 Ų36.514%0.14118%0.184CC..EExtended strand (participates in β ladder)trans-117.9107.3168.6-510000107.7H27 K28 E30H27-T120 PolarHBondContact NE2-OG1 3.16Å; K28-T120 WeakPolarHBondContact O-CB 3.42Å; K28-T120 PolarHBondContact O-OG1 3.47Å; E30-T120 HydrophobicContact CG-CG2 4.1Å
121G95.6Very high97.2Very high16 Ų1635.5 Ų35.517%0.16517%0.172CC..  trans-104.2-166.3-176.500000113.8Y119 V124 E213Y119-G121 WeakPolarHBondContact OH-CA 3.44Å; G121-V124 VanDerWaalsContact CA-O 3.25Å; G121-V124 WeakPolarHBondContact CA-O 3.41Å; G121-V124 PolarHBondContact N-O 3.39Å; G121-E213 WeakPolarHBondContact CA-OE2 3.47Å
122Q94.8Very high97.4Very high126 Ų12628.1 Ų28.159%0.58914%0.138SC*.SBendtrans-84.5-38.9177.1-176.560.138.500111.7Y77 E213 E224Y77-Q122 WeakPolarHBondContact CD2-O 3.46Å; Q122-E213 PolarHBondContact N-OE1 2.89Å; Q122-E213 PolarHBondContact N-OE2 2.87Å; Q122-E224 HydrophobicContact CB-CB 4.31Å; Q122-E224 HydrophobicContact CB-CG 3.98Å; Q122-E224 HydrophobicContact CG-CB 4.46Å; Q122-E224 HydrophobicContact CG-CG 3.83Å
123N95Very high97.5Very high30 Ų3028.5 Ų28.516%0.1614%0.14CC..SBendtrans-120.8-3.5-177.5-71.7-34.8000113.3Y77 E213 T215 E224Y77-N123 PolarHBondContact N-O 3.48Å; N123-E213 WeakPolarHBondContact CA-OE1 3.39Å; N123-E213 WeakPolarHBondContact CB-OE1 3.41Å; N123-E213 PolarHBondContact N-OE1 2.81Å; N123-T215 HydrophobicContact CB-CG2 4.39Å; N123-E224 WeakPolarHBondContact ND2-CG 3.29Å; N123-E224 PolarHBondContact ND2-OE1 2.83Å
124V96.5Very high97.6Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-144.5147.2-177.364.60000112I74 E75 L76 Y119 G121 E213 T215 F266I74-V124 HydrophobicContact CG2-CG2 3.55Å; E75-V124 CarbonylContact O-C 3.51Å; E75-V124 WeakPolarHBondContact O-CA 3.42Å; L76-V124 HydrophobicContact CD2-CB 4.17Å; L76-V124 HydrophobicContact CD2-CG2 3.71Å; Y119-V124 HydrophobicContact CD1-CG1 4Å; Y119-V124 HydrophobicContact CE1-CG1 3.74Å; G121-V124 VanDerWaalsContact CA-O 3.25Å; G121-V124 WeakPolarHBondContact CA-O 3.41Å; G121-V124 PolarHBondContact N-O 3.39Å; V124-E213 HydrophobicContact CG1-CG 4.28Å; V124-T215 HydrophobicContact CB-CG2 3.89Å; V124-T215 HydrophobicContact CG1-CG2 4.49Å; V124-F266 HydrophobicContact CB-CB 4.48Å; V124-F266 HydrophobicContact CB-CG 4.37Å; V124-F266 HydrophobicContact CG1-CB 4.03Å; V124-F266 HydrophobicContact CG1-CD1 4.31Å; V124-F266 HydrophobicContact CG1-CD2 3.7Å; V124-F266 HydrophobicContact CG1-CE2 4.21Å; V124-F266 HydrophobicContact CG1-CG 3.76Å; V124-F266 HydrophobicContact CG2-CB 4.31Å; V124-F266 HydrophobicContact CG2-CD1 3.67Å; V124-F266 HydrophobicContact CG2-CE1 4.06Å; V124-F266 HydrophobicContact CG2-CG 3.93Å
125K97.1Very high97.5Very high27 Ų2724 Ų2412%0.11712%0.12CC..EExtended strand (participates in β ladder)trans-132.4130.2169.5177.4176.5175.1-158.30110.6E30 I74 E75 Y77 Y119 R127E30-K125 HydrophobicContact CG-CD 4.12Å; E30-K125 WeakPolarHBondContact OE1-CD 3.4Å; E30-K125 WeakPolarHBondContact OE1-CE 3.45Å; E30-K125 IonicContact OE1-NZ 3.04Å; E30-K125 PolarHBondContact OE1-NZ 3.27Å; I74-K125 CarbonylContact C-O 3.51Å; I74-K125 WeakPolarHBondContact CA-O 3.43Å; E75-K125 HydrophobicContact CB-CB 4.33Å; E75-K125 PolarHBondContact N-O 2.91Å; E75-K125 PolarHBondContact O-N 2.99Å; E75-K125 IonicContact OE2-NZ 2.71Å; Y77-K125 HydrophobicContact CE1-CB 4.2Å; Y119-K125 CarbonylContact O-C 3.52Å; Y119-K125 WeakPolarHBondContact O-CA 3.13Å; K125-R127 HydrophobicContact CG-CB 4.37Å
126L98.2Very high97.5Very high1 Ų124.7 Ų24.71%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-111.5114.5169.9-170160.2000107.5Q73 I74 F86 Y116 S118 Y119 Y128 I262 F266Q73-L126 WeakPolarHBondContact O-CA 3.36Å; I74-L126 HydrophobicContact CD1-CD1 4.34Å; I74-L126 HydrophobicContact CG1-CB 4.46Å; I74-L126 HydrophobicContact CG1-CD1 4.06Å; I74-L126 HydrophobicContact CG1-CG 4.1Å; F86-L126 HydrophobicContact CE1-CD1 4.24Å; F86-L126 HydrophobicContact CE1-CD2 4.28Å; F86-L126 HydrophobicContact CE1-CG 3.97Å; F86-L126 HydrophobicContact CZ-CD1 4.38Å; F86-L126 HydrophobicContact CZ-CD2 3.91Å; F86-L126 HydrophobicContact CZ-CG 4.1Å; Y116-L126 VanDerWaalsContact CB-CD1 3.5Å; Y116-L126 HydrophobicContact CD2-CD1 4.08Å; Y116-L126 HydrophobicContact CG-CD1 4.05Å; S118-L126 WeakPolarHBondContact CA-O 3.43Å; Y119-L126 PolarHBondContact N-O 3.07Å; Y119-L126 PolarHBondContact O-N 2.87Å; L126-Y128 HydrophobicContact CD2-CD2 4.12Å; L126-Y128 HydrophobicContact CD2-CE2 3.43Å; L126-Y128 VanDerWaalsContact CD2-CE2 3.43Å; L126-I262 HydrophobicContact CD1-CG2 3.59Å; L126-F266 HydrophobicContact CB-CE1 4.31Å; L126-F266 HydrophobicContact CB-CZ 4.16Å; L126-F266 HydrophobicContact CD1-CE1 3.99Å; L126-F266 HydrophobicContact CD1-CZ 4.02Å
127R97.9Very high97.1Very high33 Ų3332.4 Ų32.413%0.12514%0.144CC..EExtended strand (participates in β ladder)trans-132.9158.7-177.471.3-176.6-65.7-149.6-14.4111.5G72 Q73 E75 K125 F129 E144 D146G72-R127 WeakPolarHBondContact CA-O 3.34Å; Q73-R127 HydrophobicContact CG-CG 4.27Å; Q73-R127 PolarHBondContact N-O 2.96Å; Q73-R127 PolarHBondContact O-N 2.92Å; Q73-R127 VanDerWaalsContact O-N 3.14Å; E75-R127 WeakPolarHBondContact OE1-CD 3.26Å; E75-R127 IonicContact OE1-NH1 3.73Å; E75-R127 PolarHBondContact OE1-NH1 2.92Å; K125-R127 HydrophobicContact CG-CB 4.37Å; R127-F129 HydrophobicContact CG-CD1 4.01Å; R127-F129 HydrophobicContact CG-CE1 4.24Å; R127-E144 IonicContact CZ-OE2 2.87Å; R127-E144 IonicContact NH1-OE2 2.71Å; R127-E144 IonicContact NH2-OE2 3.6Å; R127-E144 PolarHBondContact NH2-OE2 2.93Å; R127-D146 IonicContact CZ-OD1 2.74Å; R127-D146 IonicContact CZ-OD2 3.84Å; R127-D146 IonicContact NE-OD1 2.8Å; R127-D146 PolarHBondContact NE-OD1 2.92Å; R127-D146 IonicContact NE-OD2 2.69Å; R127-D146 IonicContact NH2-OD1 3.55Å; R127-D146 PolarHBondContact NH2-OD1 2.96Å; R127-D146 IonicContact NH2-OD2 3.09Å; R127-D146 PolarHBondContact NH2-OD2 2.87Å; R127-D146 VanDerWaalsContact NH2-OD2 3.09Å
128Y98.7Very high96.7Very high0 Ų039.1 Ų39.10%018%0.179CC..EExtended strand (participates in β ladder)trans-125.4138.7171.5-62.7-97.1000108.8F70 V71 F86 V87 K114 Y116 L126 I147 V149F70-Y128 AromaticContact CE1-CD1 3.99Å; F70-Y128 HydrophobicContact CE1-CD1 3.99Å; F70-Y128 AromaticContact CZ-CD1 3.83Å; F70-Y128 HydrophobicContact CZ-CD1 3.83Å; V71-Y128 CarbonylContact O-C 3.55Å; V71-Y128 VanDerWaalsContact O-CA 3.26Å; V71-Y128 WeakPolarHBondContact O-CA 3.48Å; F86-Y128 AromaticContact CE2-CE1 3.56Å; F86-Y128 HydrophobicContact CE2-CE1 3.56Å; F86-Y128 AromaticContact CE2-CZ 3.67Å; F86-Y128 WeakPolarHBondContact CE2-OH 3.32Å; F86-Y128 AromaticContact CZ-CE1 3.77Å; F86-Y128 HydrophobicContact CZ-CE1 3.77Å; F86-Y128 HydrophobicContact CZ-CE2 4.3Å; F86-Y128 AromaticContact CZ-CZ 3.63Å; V87-Y128 HydrophobicContact CG1-CD1 4.3Å; V87-Y128 HydrophobicContact CG1-CE1 4.04Å; K114-Y128 HydrophobicContact CB-CE1 4.01Å; K114-Y128 HydrophobicContact CG-CE1 4.24Å; Y116-Y128 PolarHBondContact N-OH 2.96Å; Y116-Y128 WeakPolarHBondContact O-CE2 3.45Å; Y116-Y128 PolarHBondContact O-OH 3.2Å; L126-Y128 HydrophobicContact CD2-CD2 4.12Å; L126-Y128 HydrophobicContact CD2-CE2 3.43Å; L126-Y128 VanDerWaalsContact CD2-CE2 3.43Å; Y128-I147 PolarHBondContact O-N 3.24Å; Y128-V149 HydrophobicContact CD1-CG2 4.2Å; Y128-V149 HydrophobicContact CD2-CB 3.83Å; Y128-V149 HydrophobicContact CD2-CG2 3.37Å; Y128-V149 HydrophobicContact CE1-CG2 4.35Å; Y128-V149 HydrophobicContact CE2-CB 3.65Å; Y128-V149 HydrophobicContact CE2-CG1 4.28Å; Y128-V149 HydrophobicContact CE2-CG2 3.57Å; Y128-V149 HydrophobicContact CG-CG2 3.7Å
129F98.6Very high96.4Very high0 Ų044.7 Ų44.70%021%0.208CC..EExtended strand (participates in β ladder)trans-152157.117957.9-85.1000112.1V71 Q73 R127 R131 E144 M145V71-F129 HydrophobicContact CB-CD2 4.4Å; V71-F129 HydrophobicContact CB-CE1 4.01Å; V71-F129 HydrophobicContact CB-CE2 3.89Å; V71-F129 HydrophobicContact CB-CZ 3.68Å; V71-F129 HydrophobicContact CG1-CE1 3.99Å; V71-F129 HydrophobicContact CG1-CE2 4.42Å; V71-F129 HydrophobicContact CG1-CZ 3.73Å; V71-F129 HydrophobicContact CG2-CE2 4.14Å; V71-F129 HydrophobicContact CG2-CZ 4.26Å; V71-F129 PolarHBondContact N-O 2.93Å; V71-F129 PolarHBondContact O-N 2.9Å; Q73-F129 HydrophobicContact CG-CE1 4Å; R127-F129 HydrophobicContact CG-CD1 4.01Å; R127-F129 HydrophobicContact CG-CE1 4.24Å; F129-R131 HydrophobicContact CD2-CB 4.01Å; F129-R131 HydrophobicContact CE2-CB 3.94Å; F129-E144 HydrophobicContact CD2-CB 4.29Å; F129-E144 HydrophobicContact CD2-CG 3.85Å; F129-E144 HydrophobicContact CE2-CG 4.11Å; F129-E144 WeakPolarHBondContact CE2-OE1 3.39Å; F129-M145 VanDerWaalsContact CA-O 3.29Å; F129-M145 WeakPolarHBondContact CA-O 3.24Å; F129-M145 WeakPolarHBondContact CB-O 3.3Å
130L98.8Very high96.3Very high0 Ų048.4 Ų48.40%023%0.228CC..EExtended strand (participates in β ladder)trans-95128.3165.8-76.7165.6000109V14 L16 V46 I68 E69 F70 F107 F109 E144 M145V14-L130 HydrophobicContact CG1-CB 4.39Å; V14-L130 HydrophobicContact CG1-CD1 4.17Å; L16-L130 HydrophobicContact CD2-CD1 3.83Å; V46-L130 HydrophobicContact CG1-CD1 3.82Å; V46-L130 HydrophobicContact CG1-CD2 4.09Å; V46-L130 HydrophobicContact CG1-CG 4.26Å; I68-L130 HydrophobicContact CD1-CB 4.19Å; I68-L130 HydrophobicContact CD1-CD2 4.27Å; I68-L130 HydrophobicContact CG1-CD2 4.15Å; E69-L130 CarbonylContact O-C 3.59Å; E69-L130 VanDerWaalsContact O-CA 3.25Å; E69-L130 WeakPolarHBondContact O-CA 3.26Å; F70-L130 HydrophobicContact CB-CD2 4.16Å; F70-L130 HydrophobicContact CD2-CD2 4.11Å; F70-L130 HydrophobicContact CD2-CG 4.49Å; F107-L130 HydrophobicContact CE2-CD1 4.09Å; F107-L130 HydrophobicContact CE2-CD2 3.97Å; F107-L130 HydrophobicContact CZ-CD1 3.78Å; F107-L130 HydrophobicContact CZ-CD2 4.31Å; F109-L130 HydrophobicContact CD2-CD2 4.37Å; F109-L130 HydrophobicContact CE2-CD2 4Å; L130-E144 CarbonylContact O-C 3.59Å; L130-E144 VanDerWaalsContact O-CA 3.28Å; L130-E144 WeakPolarHBondContact O-CA 3.22Å; L130-M145 HydrophobicContact CB-CE 4.48Å; L130-M145 HydrophobicContact CD1-CE 3.54Å; L130-M145 PolarHBondContact N-O 2.71Å; L130-M145 PolarHBondContact O-N 3.49Å
131R98.6Very high96.2Very high54 Ų5448.6 Ų48.620%0.20423%0.228CC..EExtended strand (participates in β ladder)trans-118.6107.2177.4-175.1169.264.5-153.7-1.1110.6I68 E69 F129 K143 E144I68-R131 CarbonylContact C-O 3.59Å; I68-R131 WeakPolarHBondContact CA-O 3.27Å; E69-R131 HydrophobicContact CB-CB 4.37Å; E69-R131 PolarHBondContact N-O 2.93Å; E69-R131 PolarHBondContact O-N 2.95Å; E69-R131 IonicContact OE1-NH2 3.45Å; E69-R131 IonicContact OE2-CZ 3.23Å; E69-R131 VanDerWaalsContact OE2-CZ 3.27Å; E69-R131 IonicContact OE2-NE 2.77Å; E69-R131 PolarHBondContact OE2-NE 3.17Å; E69-R131 IonicContact OE2-NH2 2.65Å; E69-R131 PolarHBondContact OE2-NH2 2.89Å; F129-R131 HydrophobicContact CD2-CB 4.01Å; F129-R131 HydrophobicContact CE2-CB 3.94Å; R131-K143 WeakPolarHBondContact CA-O 3.38Å; R131-E144 HydrophobicContact CB-CG 4.2Å; R131-E144 HydrophobicContact CG-CG 4.03Å
132A98.6Very high96.3Very high0 Ų051.3 Ų51.30%025%0.245CC..EExtended strand (participates in β ladder)trans-90129.8172.800000109.1I12 V14 V50 K67 I68 S142 K143I12-A132 HydrophobicContact CG2-CB 3.58Å; V14-A132 HydrophobicContact CG2-CB 3.74Å; V50-A132 HydrophobicContact CG1-CB 3.8Å; V50-A132 HydrophobicContact CG2-CB 4.13Å; K67-A132 WeakPolarHBondContact O-CA 3.42Å; I68-A132 HydrophobicContact CD1-CB 3.8Å; A132-S142 CarbonylContact O-C 3.47Å; A132-S142 WeakPolarHBondContact O-CA 3.13Å; A132-K143 PolarHBondContact N-O 3.16Å; A132-K143 PolarHBondContact O-N 3.35Å
133T98.6Very high96.5Very high9 Ų950.3 Ų50.36%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-133.6123.7-175.6-56.60000110.6I66 K67 I135 D140 I141I66-T133 WeakPolarHBondContact CA-O 3.35Å; K67-T133 PolarHBondContact N-O 2.9Å; K67-T133 PolarHBondContact O-N 3.19Å; T133-I135 HydrophobicContact CG2-CG1 4.13Å; T133-D140 HydrophobicContact CG2-CB 3.99Å; T133-I141 CarbonylContact C-O 3.56Å; T133-I141 WeakPolarHBondContact CA-O 3.38Å
134V98.1Very high96.6Very high0 Ų052.5 Ų52.50%025%0.248CC..EExtended strand (participates in β ladder)trans-97108.2165.7179.10000107.4I12 V52 L61 H63 I66 R136 D140 I141I12-V134 HydrophobicContact CD1-CB 4.4Å; I12-V134 HydrophobicContact CD1-CG2 3.76Å; I12-V134 HydrophobicContact CG1-CG2 4.3Å; V52-V134 HydrophobicContact CG1-CG2 4.37Å; V52-V134 HydrophobicContact CG2-CG2 4.29Å; L61-V134 HydrophobicContact CD2-CG1 4.33Å; H63-V134 HydrophobicContact CB-CG1 3.72Å; I66-V134 HydrophobicContact CD1-CG2 4.4Å; I66-V134 HydrophobicContact CG1-CG1 4.34Å; I66-V134 HydrophobicContact CG1-CG2 4.18Å; I66-V134 HydrophobicContact CG2-CG2 4.16Å; V134-R136 HydrophobicContact CG1-CG 4.48Å; V134-D140 WeakPolarHBondContact O-CA 3.45Å; V134-I141 HydrophobicContact CB-CB 4.38Å; V134-I141 PolarHBondContact N-O 3.27Å; V134-I141 PolarHBondContact O-N 3.48Å
135I97.5Very high96.7Very high47 Ų4754 Ų5424%0.24126%0.255CS..EExtended strand (participates in β ladder)trans-77.1130.4-174.8-54.4172.2000109H63 H64 G65 K67 T133 D140H63-I135 CarbonylContact C-O 3.59Å; H63-I135 VanDerWaalsContact CA-O 3.27Å; H63-I135 WeakPolarHBondContact CA-O 3.49Å; H63-I135 WeakPolarHBondContact CB-O 3.41Å; H64-I135 HydrophobicContact CB-CB 4.37Å; H64-I135 HydrophobicContact CB-CG2 4.01Å; H64-I135 PolarHBondContact N-O 2.8Å; G65-I135 PolarHBondContact O-N 2.92Å; K67-I135 HydrophobicContact CD-CD1 4.46Å; T133-I135 HydrophobicContact CG2-CG1 4.13Å; I135-D140 VanDerWaalsContact CA-OD1 3.29Å; I135-D140 WeakPolarHBondContact CA-OD1 3.33Å
136R94.8Very high96.7Very high75 Ų7555 Ų5528%0.28326%0.262SS..  trans-129.8165-178.2-64.1178.567-154.410110.6Q8 V134 L138 N139 D140Q8-R136 PolarHBondContact O-NH2 3.09Å; Q8-R136 VanDerWaalsContact O-NH2 3.17Å; V134-R136 HydrophobicContact CG1-CG 4.48Å; R136-L138 VanDerWaalsContact C-N 3.29Å; R136-L138 PolarHBondContact O-N 3.02Å; R136-N139 WeakPolarHBondContact CB-O 3.44Å; R136-N139 WeakPolarHBondContact CD-O 3.25Å; R136-D140 PolarHBondContact N-OD1 2.87Å
137R90.5Very high96.7Very high220 Ų22055.1 Ų55.183%0.8326%0.262SS*.SBendtrans-62.5-33.8179.5-174.8176.7176.6-174.10.7113.8
138L89Confident96.7Very high151 Ų15153.7 Ų53.779%0.79126%0.258SS*.SBendtrans-106.6-70.5-175.4-64.3176.4000111.5R136R136-L138 VanDerWaalsContact C-N 3.29Å; R136-L138 PolarHBondContact O-N 3.02Å
139N92.1Very high96.7Very high123 Ų12353.7 Ų53.766%0.65826%0.258SS*.  trans-129.3122.7-178.5-64.3-36.5000109.4R136R136-N139 WeakPolarHBondContact CB-O 3.44Å; R136-N139 WeakPolarHBondContact CD-O 3.25Å
140D96Very high96.7Very high81 Ų8154.9 Ų54.943%0.43326%0.263SS..  trans-62.4149.7173.4-68.9-4.4000110.6T133 V134 I135 R136T133-D140 HydrophobicContact CG2-CB 3.99Å; V134-D140 WeakPolarHBondContact O-CA 3.45Å; I135-D140 VanDerWaalsContact CA-OD1 3.29Å; I135-D140 WeakPolarHBondContact CA-OD1 3.33Å; R136-D140 PolarHBondContact N-OD1 2.87Å
141I95.9Very high96.4Very high27 Ų2757.5 Ų57.514%0.13828%0.279CS..EExtended strand (participates in β ladder)trans-103.9117170-54.1171.8000105.7A10 I12 T133 V134A10-I141 HydrophobicContact CB-CD1 4.42Å; I12-I141 HydrophobicContact CD1-CB 4.18Å; I12-I141 HydrophobicContact CD1-CG2 3.74Å; I12-I141 WeakPolarHBondContact CD1-O 3.38Å; I12-I141 HydrophobicContact CG1-CG2 4.11Å; T133-I141 CarbonylContact C-O 3.56Å; T133-I141 WeakPolarHBondContact CA-O 3.38Å; V134-I141 HydrophobicContact CB-CB 4.38Å; V134-I141 PolarHBondContact N-O 3.27Å; V134-I141 PolarHBondContact O-N 3.48Å
142S97.1Very high95.9Very high73 Ų7358.5 Ų58.551%0.5129%0.288SS..EExtended strand (participates in β ladder)trans-125.4152.2178.361.80000111.9A132A132-S142 CarbonylContact O-C 3.47Å; A132-S142 WeakPolarHBondContact O-CA 3.13Å
143K98.1Very high95.1Very high105 Ų10561 Ų6146%0.45731%0.306SS..EExtended strand (participates in β ladder)trans-138129.3172.8-179.270.8175.5-174.50108.9I12 R131 A132I12-K143 HydrophobicContact CB-CB 3.81Å; I12-K143 HydrophobicContact CG2-CB 3.85Å; I12-K143 WeakPolarHBondContact O-CG 3.49Å; R131-K143 WeakPolarHBondContact CA-O 3.38Å; A132-K143 PolarHBondContact N-O 3.16Å; A132-K143 PolarHBondContact O-N 3.35Å
144E98.1Very high94.1Very high76 Ų7666.7 Ų66.736%0.35534%0.34SS..EExtended strand (participates in β ladder)trans-101.2144172.1-66.2-175.5178.500110.8R127 F129 L130 R131R127-E144 IonicContact CZ-OE2 2.87Å; R127-E144 IonicContact NH1-OE2 2.71Å; R127-E144 IonicContact NH2-OE2 3.6Å; R127-E144 PolarHBondContact NH2-OE2 2.93Å; F129-E144 HydrophobicContact CD2-CB 4.29Å; F129-E144 HydrophobicContact CD2-CG 3.85Å; F129-E144 HydrophobicContact CE2-CG 4.11Å; F129-E144 WeakPolarHBondContact CE2-OE1 3.39Å; L130-E144 CarbonylContact O-C 3.59Å; L130-E144 VanDerWaalsContact O-CA 3.28Å; L130-E144 WeakPolarHBondContact O-CA 3.22Å; R131-E144 HydrophobicContact CB-CG 4.2Å; R131-E144 HydrophobicContact CG-CG 4.03Å
145M97.9Very high92.8Very high33 Ų3372.4 Ų72.416%0.16336%0.363CS..EExtended strand (participates in β ladder)trans-129110.8167.8179.8179.768.800108.8V14 L16 F38 F129 L130V14-M145 HydrophobicContact CB-CB 4.48Å; V14-M145 HydrophobicContact CB-CE 4.35Å; V14-M145 HydrophobicContact CB-SD 4.47Å; V14-M145 HydrophobicContact CG1-CE 3.76Å; V14-M145 HydrophobicContact CG1-SD 4.49Å; V14-M145 VanDerWaalsContact O-SD 3.4Å; L16-M145 HydrophobicContact CD1-CE 4.3Å; L16-M145 HydrophobicContact CD2-CE 3.79Å; L16-M145 HydrophobicContact CG-CE 3.79Å; F38-M145 HydrophobicContact CE2-SD 4.37Å; F129-M145 VanDerWaalsContact CA-O 3.29Å; F129-M145 WeakPolarHBondContact CA-O 3.24Å; F129-M145 WeakPolarHBondContact CB-O 3.3Å; L130-M145 HydrophobicContact CB-CE 4.48Å; L130-M145 HydrophobicContact CD1-CE 3.54Å; L130-M145 PolarHBondContact N-O 2.71Å; L130-M145 PolarHBondContact O-N 3.49Å
146D98.2Very high91.6Very high47 Ų4771.7 Ų71.725%0.25136%0.361SS..EExtended strand (participates in β ladder)trans-69.2144.7176.1-79.6-45.9000112.2Y37 R127Y37-D146 HydrophobicContact CD1-CB 3.71Å; Y37-D146 HydrophobicContact CE1-CB 3.64Å; R127-D146 IonicContact CZ-OD1 2.74Å; R127-D146 IonicContact CZ-OD2 3.84Å; R127-D146 IonicContact NE-OD1 2.8Å; R127-D146 PolarHBondContact NE-OD1 2.92Å; R127-D146 IonicContact NE-OD2 2.69Å; R127-D146 IonicContact NH2-OD1 3.55Å; R127-D146 PolarHBondContact NH2-OD1 2.96Å; R127-D146 IonicContact NH2-OD2 3.09Å; R127-D146 PolarHBondContact NH2-OD2 2.87Å; R127-D146 VanDerWaalsContact NH2-OD2 3.09Å
147I98.2Very high90.2Very high3 Ų377.5 Ų77.52%0.01539%0.392CS..EExtended strand (participates in β ladder)trans-128.4161.2168.166.3168000109.6F38 F40 F70 Y128F38-I147 HydrophobicContact CB-CG2 4.38Å; F40-I147 HydrophobicContact CB-CD1 4.34Å; F40-I147 HydrophobicContact CD2-CB 3.99Å; F40-I147 HydrophobicContact CD2-CD1 3.68Å; F40-I147 HydrophobicContact CD2-CG1 4.39Å; F40-I147 HydrophobicContact CD2-CG2 4.19Å; F40-I147 HydrophobicContact CE2-CB 4.23Å; F40-I147 HydrophobicContact CE2-CD1 4.11Å; F40-I147 HydrophobicContact CE2-CG2 3.9Å; F40-I147 HydrophobicContact CG-CD1 3.99Å; F70-I147 HydrophobicContact CE2-CD1 3.58Å; F70-I147 HydrophobicContact CZ-CD1 4.14Å; Y128-I147 PolarHBondContact O-N 3.24Å
148V98.4Very high89.5Confident4 Ų473.9 Ų73.92%0.02439%0.388CS..EExtended strand (participates in β ladder)trans-112.9133.4176.8171.30000109.4V25 H27 Y37 F38 L39 F40V25-V148 HydrophobicContact CG2-CB 3.79Å; V25-V148 HydrophobicContact CG2-CG1 3.62Å; V25-V148 HydrophobicContact CG2-CG2 4.38Å; H27-V148 HydrophobicContact CB-CG2 3.64Å; Y37-V148 HydrophobicContact CD2-CG2 3.9Å; Y37-V148 HydrophobicContact CG-CG2 3.9Å; F38-V148 PolarHBondContact O-N 3.44Å; L39-V148 CarbonylContact C-O 3.58Å; L39-V148 WeakPolarHBondContact CA-O 3.36Å; L39-V148 HydrophobicContact CD1-CG1 4.41Å; F40-V148 PolarHBondContact N-O 3.43Å
149V98.1Very high89Confident0 Ų069.1 Ų69.10%036%0.363CS..EExtended strand (participates in β ladder)trans-108.4131175.2176.50000108.7F40 K114 E117 S118 Y128F40-V149 HydrophobicContact CB-CG2 4.41Å; F40-V149 WeakPolarHBondContact O-CA 3.38Å; K114-V149 HydrophobicContact CB-CG1 3.75Å; K114-V149 HydrophobicContact CB-CG2 4.03Å; K114-V149 HydrophobicContact CD-CG1 4.49Å; K114-V149 HydrophobicContact CD-CG2 3.69Å; K114-V149 HydrophobicContact CG-CG2 4.25Å; E117-V149 WeakPolarHBondContact CA-O 3.47Å; E117-V149 WeakPolarHBondContact CG-O 3.35Å; S118-V149 PolarHBondContact N-O 3Å; S118-V149 PolarHBondContact OG-N 3.04Å; Y128-V149 HydrophobicContact CD1-CG2 4.2Å; Y128-V149 HydrophobicContact CD2-CB 3.83Å; Y128-V149 HydrophobicContact CD2-CG2 3.37Å; Y128-V149 HydrophobicContact CE1-CG2 4.35Å; Y128-V149 HydrophobicContact CE2-CB 3.65Å; Y128-V149 HydrophobicContact CE2-CG1 4.28Å; Y128-V149 HydrophobicContact CE2-CG2 3.57Å; Y128-V149 HydrophobicContact CG-CG2 3.7Å
150H97.4Very high88.7Confident25 Ų2567 Ų6712%0.11636%0.358CS..  trans-108.2143.2167.7-77.4167.7000110.7L39 F40 Y41 E117L39-H150 HydrophobicContact CD1-CB 3.9Å; L39-H150 WeakPolarHBondContact CD1-ND1 3.1Å; F40-H150 PolarHBondContact O-N 3.2Å; Y41-H150 HydrophobicContact CD1-CB 4.25Å; Y41-H150 VanDerWaalsContact CD1-O 3.28Å; Y41-H150 WeakPolarHBondContact CD1-O 2.95Å; Y41-H150 HydrophobicContact CE1-CB 3.76Å; E117-H150 IonicContact OE1-CD2 2.8Å; E117-H150 WeakPolarHBondContact OE2-CA 3.46Å; E117-H150 IonicContact OE2-CD2 3.95Å
151T93.4Very high88.4Confident54 Ų5466.1 Ų66.133%0.33136%0.358SS..  trans-102.6116.8170.7-58.30000108.6E117 R294E117-T151 PolarHBondContact N-OG1 2.91Å; E117-T151 PolarHBondContact OE2-N 2.82Å; T151-R294 WeakPolarHBondContact O-CB 3.45Å
152L88.8Confident88.2Confident76 Ų7666.2 Ų66.240%0.39836%0.359SS..  trans-86.3142.8176.2-58.9-177.5000110Y41 R294Y41-L152 HydrophobicContact CD1-CD1 4.01Å; Y41-L152 HydrophobicContact CD1-CD2 4.46Å; Y41-L152 HydrophobicContact CD1-CG 3.85Å; Y41-L152 HydrophobicContact CE1-CD1 3.63Å; Y41-L152 HydrophobicContact CE1-CD2 3.66Å; Y41-L152 HydrophobicContact CE1-CG 3.49Å; Y41-L152 VanDerWaalsContact CE1-CG 3.49Å; L152-R294 HydrophobicContact CD2-CG 4Å
153S81.9Confident88Confident53 Ų5368 Ų6837%0.37136%0.357SS..BIsolated β-bridgetrans-123.9150.6168.8-50.90000110W293 R294S153-W293 WeakPolarHBondContact O-CZ3 3.42Å; S153-R294 PolarHBondContact N-O 2.94Å
154T77Confident87.8Confident127 Ų12763.2 Ų63.278%0.77934%0.336SS*.PPolyproline II helixtrans-85.1169.3167.648.60000110
155Y70.3Confident87.4Confident120 Ų12064.3 Ų64.347%0.47134%0.341SS..PPolyproline II helixtrans-54.2130.4174.9-90.4-87.4000110E157 W293 K295Y155-E157 PolarHBondContact O-N 2.94Å; Y155-W293 HydrophobicContact CD1-CH2 4.09Å; Y155-W293 AromaticContact CD1-CZ2 3.84Å; Y155-W293 HydrophobicContact CD1-CZ2 3.84Å; Y155-W293 AromaticContact CD2-CH2 3.89Å; Y155-W293 HydrophobicContact CD2-CH2 3.89Å; Y155-W293 HydrophobicContact CD2-CZ2 4.47Å; Y155-W293 HydrophobicContact CE1-CH2 4.17Å; Y155-W293 AromaticContact CE1-CZ2 3.89Å; Y155-W293 HydrophobicContact CE1-CZ2 3.89Å; Y155-W293 AromaticContact CE2-CH2 3.99Å; Y155-W293 HydrophobicContact CE2-CH2 3.99Å; Y155-W293 AromaticContact CG-CH2 3.94Å; Y155-W293 HydrophobicContact CG-CH2 3.94Å; Y155-W293 HydrophobicContact CG-CZ2 4.14Å; Y155-K295 HydrophobicContact CE2-CD 4.42Å; Y155-K295 PolarHBondContact OH-NZ 2.89Å; Y155-K295 VanDerWaalsContact OH-NZ 3.16Å
156P73Confident87Confident32 Ų3263.3 Ų63.321%0.20834%0.337CS..PPolyproline II helixtrans-60135.3170.5-19.831.1000110L158 K182P156-L158 PolarHBondContact O-N 2.92Å; P156-K182 HydrophobicContact CB-CD 3.37Å; P156-K182 HydrophobicContact CG-CB 3.84Å; P156-K182 HydrophobicContact CG-CD 3.33Å; P156-K182 HydrophobicContact CG-CG 4.2Å
157E65.9Low86.4Confident198 Ų19863.8 Ų63.893%0.92535%0.354SS*.SBendtrans-62.2-28.9-176.9-64.6176.6177.400112.9Y155Y155-E157 PolarHBondContact O-N 2.94Å
158L73.8Confident85.9Confident143 Ų14366.1 Ų66.175%0.74937%0.366SS*.  trans-123.3123.2177.4-63.6170.8000110.2P156P156-L158 PolarHBondContact O-N 2.92Å
159N80.4Confident85.4Confident52 Ų5274.3 Ų74.328%0.27840%0.404SS..  trans-142.890176.4-151.1-0.7000109K180 S181 K182N159-K180 WeakPolarHBondContact ND2-CG 3.25Å; N159-K180 WeakPolarHBondContact OD1-CA 3.11Å; N159-K180 VanDerWaalsContact OD1-CB 3.25Å; N159-K180 WeakPolarHBondContact OD1-CB 3.4Å; N159-S181 PolarHBondContact OD1-N 3.43Å; N159-S181 PolarHBondContact OD1-OG 2.67Å; N159-K182 PolarHBondContact ND2-O 2.98Å; N159-K182 PolarHBondContact OD1-N 2.69Å; N159-K182 VanDerWaalsContact OD1-N 3.12Å
160S84.7Confident84.9Confident78 Ų7879.3 Ų79.355%0.54543%0.43SS..  trans-87.7158.7178.160.90000111.3K180 S181S160-K180 CarbonylContact O-C 3.6Å; S160-K180 WeakPolarHBondContact O-CA 3.49Å; S160-S181 PolarHBondContact O-N 2.78Å
161S89.1Confident84.5Confident62 Ų6280.3 Ų80.343%0.43444%0.44SS..  trans-62.4151.9163.159.30000110.1Y178S161-Y178 CarbonylContact C-O 3.56Å; S161-Y178 WeakPolarHBondContact CA-O 3.48Å; S161-Y178 VanDerWaalsContact CB-O 3.29Å; S161-Y178 WeakPolarHBondContact CB-O 3.36Å
162I92.4Very high84.4Confident30 Ų3077.9 Ų77.915%0.15443%0.425CS..EExtended strand (participates in β ladder)trans-120.1140.9173.3-64.6-179.7000107.9E177 Y178 Q288I162-E177 WeakPolarHBondContact O-CA 3.06Å; I162-Y178 HydrophobicContact CB-CD2 4.18Å; I162-Y178 HydrophobicContact CB-CE1 4Å; I162-Y178 HydrophobicContact CB-CE2 3.59Å; I162-Y178 VanDerWaalsContact CB-CZ 3.49Å; I162-Y178 HydrophobicContact CD1-CE2 3.81Å; I162-Y178 WeakPolarHBondContact CD1-OH 3.36Å; I162-Y178 HydrophobicContact CG1-CE2 4.03Å; I162-Y178 HydrophobicContact CG2-CE1 3.92Å; I162-Y178 HydrophobicContact CG2-CE2 4.24Å; I162-Y178 WeakPolarHBondContact CG2-OH 3.09Å; I162-Y178 PolarHBondContact N-O 2.85Å; I162-Y178 PolarHBondContact O-N 3.01Å; I162-Q288 HydrophobicContact CG2-CG 4.1Å
163K93.4Very high84.6Confident111 Ų11177.3 Ų77.348%0.48342%0.42SS..EExtended strand (participates in β ladder)trans-110128.9169.1-65.1175.5173.3-121.60109.1E175 E177K163-E175 HydrophobicContact CB-CG 4.46Å; K163-E175 VanDerWaalsContact CD-OE1 3.3Å; K163-E175 WeakPolarHBondContact CD-OE1 2.93Å; K163-E175 WeakPolarHBondContact CE-OE1 3.38Å; K163-E175 IonicContact NZ-OE1 3.38Å; K163-E175 PolarHBondContact NZ-OE1 2.89Å; K163-E175 IonicContact NZ-OE2 3.81Å; K163-E177 HydrophobicContact CG-CB 4.22Å; K163-E177 HydrophobicContact CG-CG 4.04Å
164M92.7Very high85.2Confident3 Ų374.8 Ų74.82%0.01540%0.402CS..EExtended strand (participates in β ladder)trans-120121.8175.2179.516958.900108.5F176 L274 K286 Q288M164-F176 HydrophobicContact CE-CD1 3.64Å; M164-F176 HydrophobicContact CE-CE1 4.31Å; M164-F176 PolarHBondContact N-O 3.16Å; M164-F176 PolarHBondContact O-N 3.03Å; M164-L274 HydrophobicContact CE-CB 3.6Å; M164-K286 HydrophobicContact CG-CB 4.06Å; M164-K286 HydrophobicContact CG-CG 3.43Å; M164-K286 VanDerWaalsContact CG-CG 3.43Å; M164-K286 HydrophobicContact SD-CB 3.93Å; M164-K286 HydrophobicContact SD-CG 3.6Å; M164-K286 VanDerWaalsContact SD-CG 3.6Å; M164-Q288 HydrophobicContact SD-CB 3.67Å
165E90.3Very high86Confident99 Ų9969.8 Ų69.846%0.46337%0.37SS..EExtended strand (participates in β ladder)trans-112.6137-175.2-68.3169.1-165.200111.2H173 I174 E175E165-H173 IonicContact OE2-NE2 2.69Å; E165-I174 WeakPolarHBondContact CA-O 3.26Å; E165-E175 HydrophobicContact CG-CB 4.24Å; E165-E175 HydrophobicContact CG-CG 4.06Å
166V89.3Confident87.2Confident12 Ų1264.1 Ų64.17%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-114110.3166.7-178.50000106.9I174 L274 L276 K286V166-I174 PolarHBondContact N-O 2.86Å; V166-I174 PolarHBondContact O-N 3.02Å; V166-L274 HydrophobicContact CG2-CD2 3.84Å; V166-L274 HydrophobicContact CG2-CG 4.46Å; V166-L276 HydrophobicContact CB-CD1 4.16Å; V166-L276 HydrophobicContact CG1-CD1 3.97Å; V166-L276 HydrophobicContact CG2-CD1 3.96Å; V166-K286 HydrophobicContact CG2-CB 3.58Å
167G85.9Confident88.3Confident58 Ų5864.8 Ų64.860%0.59835%0.348SS*.EExtended strand (participates in β ladder)trans-125.8130.8-176.700000111.6L172G167-L172 CarbonylContact C-O 3.54Å; G167-L172 VanDerWaalsContact CA-O 3.29Å; G167-L172 WeakPolarHBondContact CA-O 3.42Å
168I87.4Confident89.8Confident52 Ų5255.5 Ų55.527%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-119.7123.6163-52.8168.7000105.4D170 C171 L172 I200 Y284I168-D170 PolarHBondContact O-N 2.84Å; I168-C171 HydrophobicContact CB-CB 4.05Å; I168-C171 HydrophobicContact CG2-CB 3.85Å; I168-C171 PolarHBondContact O-N 2.97Å; I168-L172 HydrophobicContact CB-CB 4.2Å; I168-L172 HydrophobicContact CD1-CB 4.1Å; I168-L172 HydrophobicContact CD1-CD2 4.23Å; I168-L172 HydrophobicContact CG1-CB 4.25Å; I168-L172 PolarHBondContact N-O 3.14Å; I168-L172 PolarHBondContact O-N 3.06Å; I168-I200 HydrophobicContact CD1-CD1 4.02Å; I168-Y284 HydrophobicContact CD1-CD1 3.62Å; I168-Y284 HydrophobicContact CD1-CE1 3.19Å; I168-Y284 HydrophobicContact CD1-CE2 4.27Å; I168-Y284 HydrophobicContact CD1-CG 4.3Å; I168-Y284 HydrophobicContact CG1-CD1 4.35Å; I168-Y284 HydrophobicContact CG1-CE1 4.24Å
169E88.5Confident90.8Very high176 Ų17651.4 Ų51.482%0.82228%0.283SS*.THydrogen-bonded Turntrans-49131.3-179.1-169.8171.6-165.500111.1C171E169-C171 PolarHBondContact O-N 3.01Å
170D87.6Confident91.4Very high105 Ų10550.9 Ų50.956%0.56128%0.279SS*.THydrogen-bonded Turntrans55.63.5-178.7-73.3-44.3000117.7I168 R199I168-D170 PolarHBondContact O-N 2.84Å; D170-R199 WeakPolarHBondContact O-CD 3.12Å; D170-R199 PolarHBondContact O-NH1 3.09Å; D170-R199 IonicContact OD1-NH1 3.09Å
171C88.9Confident91.8Very high46 Ų4648.3 Ų48.331%0.31126%0.261SS..THydrogen-bonded Turntrans-122-46.9-170.9-79.10000113.6I168 E169 R199 I200I168-C171 HydrophobicContact CB-CB 4.05Å; I168-C171 HydrophobicContact CG2-CB 3.85Å; I168-C171 PolarHBondContact O-N 2.97Å; E169-C171 PolarHBondContact O-N 3.01Å; C171-R199 WeakPolarHBondContact O-CA 3.48Å; C171-R199 WeakPolarHBondContact O-CB 3.34Å; C171-R199 PolarHBondContact O-N 2.81Å; C171-I200 HydrophobicContact CB-CD1 3.77Å; C171-I200 HydrophobicContact CB-CG1 4.02Å
172L90.9Very high92.1Very high3 Ų348.8 Ų48.82%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-148.8131.9-172.4-17467.1000109.7G167 I168 I174 L197 I202G167-L172 CarbonylContact C-O 3.54Å; G167-L172 VanDerWaalsContact CA-O 3.29Å; G167-L172 WeakPolarHBondContact CA-O 3.42Å; I168-L172 HydrophobicContact CB-CB 4.2Å; I168-L172 HydrophobicContact CD1-CB 4.1Å; I168-L172 HydrophobicContact CD1-CD2 4.23Å; I168-L172 HydrophobicContact CG1-CB 4.25Å; I168-L172 PolarHBondContact N-O 3.14Å; I168-L172 PolarHBondContact O-N 3.06Å; L172-I174 HydrophobicContact CD1-CD1 3.7Å; L172-I174 HydrophobicContact CD1-CG1 4.03Å; L172-I174 HydrophobicContact CD2-CD1 4.45Å; L172-I174 HydrophobicContact CG-CD1 4.23Å; L172-I174 HydrophobicContact CG-CG1 4.39Å; L172-L197 CarbonylContact C-O 3.5Å; L172-L197 WeakPolarHBondContact CA-O 3.46Å; L172-I202 HydrophobicContact CD1-CD1 4.05Å
173H93.4Very high92.2Very high64 Ų6447.3 Ų47.330%0.29625%0.248SC..EExtended strand (participates in β ladder)trans-145.1108.9170.5-171.2-174.9000108.7E165 L196 L197E165-H173 IonicContact OE2-NE2 2.69Å; H173-L196 HydrophobicContact CB-CB 4.14Å; H173-L196 WeakPolarHBondContact O-CA 3.03Å; H173-L196 WeakPolarHBondContact O-CB 3.29Å; H173-L196 PolarHBondContact O-N 2.91Å; H173-L197 HydrophobicContact CB-CB 3.77Å; H173-L197 PolarHBondContact N-O 2.77Å; H173-L197 PolarHBondContact O-N 2.87Å
174I93.4Very high92.3Very high0 Ų043.4 Ų43.40%023%0.231CC..EExtended strand (participates in β ladder)trans-123.4131.9179.1-65.8172.3000108.7E165 V166 L172 I193 Y194 F195 I202 L276E165-I174 WeakPolarHBondContact CA-O 3.26Å; V166-I174 PolarHBondContact N-O 2.86Å; V166-I174 PolarHBondContact O-N 3.02Å; L172-I174 HydrophobicContact CD1-CD1 3.7Å; L172-I174 HydrophobicContact CD1-CG1 4.03Å; L172-I174 HydrophobicContact CD2-CD1 4.45Å; L172-I174 HydrophobicContact CG-CD1 4.23Å; L172-I174 HydrophobicContact CG-CG1 4.39Å; I174-I193 HydrophobicContact CG2-CG2 3.57Å; I174-Y194 WeakPolarHBondContact CA-O 3.36Å; I174-F195 HydrophobicContact CD1-CD1 3.66Å; I174-F195 HydrophobicContact CD1-CE1 3.59Å; I174-F195 HydrophobicContact CG1-CD1 3.68Å; I174-F195 HydrophobicContact CG1-CE1 4.05Å; I174-I202 HydrophobicContact CD1-CD1 3.72Å; I174-L276 HydrophobicContact CD1-CD2 3.31Å
175E95Very high92.5Very high22 Ų2244.1 Ų44.110%0.10324%0.235CC..EExtended strand (participates in β ladder)trans-111.9126.2175.1-175.7-174.6138.700109K163 E165 I193 Y194 L196K163-E175 HydrophobicContact CB-CG 4.46Å; K163-E175 VanDerWaalsContact CD-OE1 3.3Å; K163-E175 WeakPolarHBondContact CD-OE1 2.93Å; K163-E175 WeakPolarHBondContact CE-OE1 3.38Å; K163-E175 IonicContact NZ-OE1 3.38Å; K163-E175 PolarHBondContact NZ-OE1 2.89Å; K163-E175 IonicContact NZ-OE2 3.81Å; E165-E175 HydrophobicContact CG-CB 4.24Å; E165-E175 HydrophobicContact CG-CG 4.06Å; E175-I193 CarbonylContact O-C 3.53Å; E175-I193 WeakPolarHBondContact O-CA 3.37Å; E175-Y194 HydrophobicContact CB-CD2 4.5Å; E175-Y194 PolarHBondContact N-O 3.35Å; E175-Y194 PolarHBondContact O-N 3.05Å; E175-L196 HydrophobicContact CB-CD1 4.3Å
176F95.8Very high92.7Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-108.9111.3167.5173.1-134.9000109.5M164 Y178 I193 I207 I246 L272 L274M164-F176 HydrophobicContact CE-CD1 3.64Å; M164-F176 HydrophobicContact CE-CE1 4.31Å; M164-F176 PolarHBondContact N-O 3.16Å; M164-F176 PolarHBondContact O-N 3.03Å; F176-Y178 AromaticContact CD1-CD1 3.88Å; F176-Y178 HydrophobicContact CD1-CD1 3.88Å; F176-Y178 HydrophobicContact CD1-CE1 4.31Å; F176-Y178 AromaticContact CE1-CD1 3.48Å; F176-Y178 HydrophobicContact CE1-CD1 3.48Å; F176-Y178 VanDerWaalsContact CE1-CD1 3.48Å; F176-Y178 HydrophobicContact CE1-CE1 4.06Å; F176-Y178 HydrophobicContact CE1-CG 4.32Å; F176-Y178 HydrophobicContact CE2-CD1 4.43Å; F176-Y178 AromaticContact CZ-CD1 3.79Å; F176-Y178 HydrophobicContact CZ-CD1 3.79Å; F176-Y178 HydrophobicContact CZ-CG 4.24Å; F176-I193 HydrophobicContact CB-CG1 4.26Å; F176-I193 HydrophobicContact CD2-CG1 3.72Å; F176-I193 HydrophobicContact CE2-CG1 4.5Å; F176-I193 HydrophobicContact CG-CG1 4.26Å; F176-I207 HydrophobicContact CD1-CD1 4.21Å; F176-I207 HydrophobicContact CD2-CD1 4.32Å; F176-I207 HydrophobicContact CE1-CD1 3.81Å; F176-I207 HydrophobicContact CE2-CD1 3.93Å; F176-I207 HydrophobicContact CG-CD1 4.46Å; F176-I207 HydrophobicContact CZ-CD1 3.67Å; F176-I246 HydrophobicContact CE2-CB 4.33Å; F176-I246 HydrophobicContact CE2-CG1 4.22Å; F176-L272 HydrophobicContact CE1-CD1 4.13Å; F176-L274 HydrophobicContact CB-CD2 4.13Å
177E96.6Very high93.1Very high47 Ų4747.2 Ų47.222%0.2225%0.247CC..EExtended strand (participates in β ladder)trans-101.1135.5175.2-176.9176.3-152.800110.1I162 K163 G191 K192 Y194I162-E177 WeakPolarHBondContact O-CA 3.06Å; K163-E177 HydrophobicContact CG-CB 4.22Å; K163-E177 HydrophobicContact CG-CG 4.04Å; E177-G191 CarbonylContact O-C 3.57Å; E177-G191 WeakPolarHBondContact O-CA 3.44Å; E177-K192 PolarHBondContact N-O 2.83Å; E177-K192 PolarHBondContact O-N 2.82Å; E177-Y194 HydrophobicContact CB-CE2 4.19Å
178Y96.1Very high93.6Very high2 Ų246.1 Ų46.11%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-137.6153.9173.756.3-92.8000112.5S161 I162 F176 K180 Y183 V190 L272 Q288 I290S161-Y178 CarbonylContact C-O 3.56Å; S161-Y178 WeakPolarHBondContact CA-O 3.48Å; S161-Y178 VanDerWaalsContact CB-O 3.29Å; S161-Y178 WeakPolarHBondContact CB-O 3.36Å; I162-Y178 HydrophobicContact CB-CD2 4.18Å; I162-Y178 HydrophobicContact CB-CE1 4Å; I162-Y178 HydrophobicContact CB-CE2 3.59Å; I162-Y178 VanDerWaalsContact CB-CZ 3.49Å; I162-Y178 HydrophobicContact CD1-CE2 3.81Å; I162-Y178 WeakPolarHBondContact CD1-OH 3.36Å; I162-Y178 HydrophobicContact CG1-CE2 4.03Å; I162-Y178 HydrophobicContact CG2-CE1 3.92Å; I162-Y178 HydrophobicContact CG2-CE2 4.24Å; I162-Y178 WeakPolarHBondContact CG2-OH 3.09Å; I162-Y178 PolarHBondContact N-O 2.85Å; I162-Y178 PolarHBondContact O-N 3.01Å; F176-Y178 AromaticContact CD1-CD1 3.88Å; F176-Y178 HydrophobicContact CD1-CD1 3.88Å; F176-Y178 HydrophobicContact CD1-CE1 4.31Å; F176-Y178 AromaticContact CE1-CD1 3.48Å; F176-Y178 HydrophobicContact CE1-CD1 3.48Å; F176-Y178 VanDerWaalsContact CE1-CD1 3.48Å; F176-Y178 HydrophobicContact CE1-CE1 4.06Å; F176-Y178 HydrophobicContact CE1-CG 4.32Å; F176-Y178 HydrophobicContact CE2-CD1 4.43Å; F176-Y178 AromaticContact CZ-CD1 3.79Å; F176-Y178 HydrophobicContact CZ-CD1 3.79Å; F176-Y178 HydrophobicContact CZ-CG 4.24Å; Y178-K180 WeakPolarHBondContact CD2-O 3.34Å; Y178-K180 WeakPolarHBondContact CE2-O 3.44Å; Y178-K180 PolarHBondContact O-N 3.16Å; Y178-Y183 HydrophobicContact CD2-CE2 4.5Å; Y178-Y183 WeakPolarHBondContact CD2-OH 3.29Å; Y178-V190 WeakPolarHBondContact CA-O 3.25Å; Y178-L272 HydrophobicContact CD1-CD1 4.12Å; Y178-L272 HydrophobicContact CD2-CD1 4.33Å; Y178-L272 HydrophobicContact CE1-CD1 3.98Å; Y178-L272 HydrophobicContact CE2-CD1 4.16Å; Y178-L272 HydrophobicContact CG-CD1 4.27Å; Y178-Q288 WeakPolarHBondContact OH-CG 2.97Å; Y178-I290 HydrophobicContact CE2-CG2 4.09Å
179N94.3Very high94Very high57 Ų5743.7 Ų43.731%0.30522%0.215SC..SBendtrans-73.1-21.8-159.264.4-38.6000116Y183 V190N179-Y183 PolarHBondContact OD1-OH 2.91Å; N179-V190 HydrophobicContact CB-CB 4.48Å; N179-V190 WeakPolarHBondContact CB-O 3.42Å; N179-V190 PolarHBondContact N-O 2.67Å; N179-V190 PolarHBondContact OD1-N 2.92Å; N179-V190 PolarHBondContact OD1-O 2.97Å
180K94Very high94.4Very high42 Ų4238.1 Ų38.118%0.18319%0.194CC..  trans-146.3151.4-173.3-62.7168.4-172.9165.70111.6N159 S160 Y178 Y183 D187N159-K180 WeakPolarHBondContact ND2-CG 3.25Å; N159-K180 WeakPolarHBondContact OD1-CA 3.11Å; N159-K180 VanDerWaalsContact OD1-CB 3.25Å; N159-K180 WeakPolarHBondContact OD1-CB 3.4Å; S160-K180 CarbonylContact O-C 3.6Å; S160-K180 WeakPolarHBondContact O-CA 3.49Å; Y178-K180 WeakPolarHBondContact CD2-O 3.34Å; Y178-K180 WeakPolarHBondContact CE2-O 3.44Å; Y178-K180 PolarHBondContact O-N 3.16Å; K180-Y183 HydrophobicContact CB-CD1 4.27Å; K180-Y183 HydrophobicContact CB-CE1 3.68Å; K180-Y183 HydrophobicContact CB-CE2 4.05Å; K180-Y183 HydrophobicContact CD-CD1 3.97Å; K180-Y183 HydrophobicContact CD-CE1 3.79Å; K180-Y183 HydrophobicContact CG-CE1 4.21Å; K180-Y183 PolarHBondContact N-OH 2.95Å; K180-Y183 VanDerWaalsContact N-OH 3.15Å; K180-Y183 WeakPolarHBondContact O-CE2 3.29Å; K180-Y183 PolarHBondContact O-OH 3.35Å; K180-D187 VanDerWaalsContact NZ-CG 3.28Å; K180-D187 IonicContact NZ-OD1 3.79Å; K180-D187 PolarHBondContact NZ-OD1 2.9Å; K180-D187 IonicContact NZ-OD2 3.91Å; K180-D187 PolarHBondContact NZ-OD2 3.45Å
181S92.8Very high94.8Very high24 Ų2433.7 Ų33.717%0.16817%0.172CC..SBendtrans-89.5-17.9167.562.90000113.2N159 S160 T291N159-S181 PolarHBondContact OD1-N 3.43Å; N159-S181 PolarHBondContact OD1-OG 2.67Å; S160-S181 PolarHBondContact O-N 2.78Å; S181-T291 PolarHBondContact O-N 3.35Å
182K95Very high95.2Very high71 Ų7134.9 Ų34.931%0.30917%0.172SC..EExtended strand (participates in β ladder)trans-130.6127.4-175.1-50.4177.5-180162.70110.7P156 N159 T291P156-K182 HydrophobicContact CB-CD 3.37Å; P156-K182 HydrophobicContact CG-CB 3.84Å; P156-K182 HydrophobicContact CG-CD 3.33Å; P156-K182 HydrophobicContact CG-CG 4.2Å; N159-K182 PolarHBondContact ND2-O 2.98Å; N159-K182 PolarHBondContact OD1-N 2.69Å; N159-K182 VanDerWaalsContact OD1-N 3.12Å; K182-T291 CarbonylContact C-O 3.1Å; K182-T291 VanDerWaalsContact CA-O 3.24Å; K182-T291 WeakPolarHBondContact CA-O 3.29Å
183Y95.7Very high95.4Very high0 Ų034.8 Ų34.80%017%0.172CC..EExtended strand (participates in β ladder)trans-128.3140.8-175.5-64.2-87.1000111Y178 N179 K180 D187 I189 L250 I290 T291 L292 W293Y178-Y183 HydrophobicContact CD2-CE2 4.5Å; Y178-Y183 WeakPolarHBondContact CD2-OH 3.29Å; N179-Y183 PolarHBondContact OD1-OH 2.91Å; K180-Y183 HydrophobicContact CB-CD1 4.27Å; K180-Y183 HydrophobicContact CB-CE1 3.68Å; K180-Y183 HydrophobicContact CB-CE2 4.05Å; K180-Y183 HydrophobicContact CD-CD1 3.97Å; K180-Y183 HydrophobicContact CD-CE1 3.79Å; K180-Y183 HydrophobicContact CG-CE1 4.21Å; K180-Y183 PolarHBondContact N-OH 2.95Å; K180-Y183 VanDerWaalsContact N-OH 3.15Å; K180-Y183 WeakPolarHBondContact O-CE2 3.29Å; K180-Y183 PolarHBondContact O-OH 3.35Å; Y183-D187 HydrophobicContact CD1-CB 4.07Å; Y183-I189 HydrophobicContact CD1-CG1 3.96Å; Y183-I189 HydrophobicContact CD2-CD1 4.44Å; Y183-I189 HydrophobicContact CD2-CG1 4.22Å; Y183-I189 HydrophobicContact CE1-CB 4.11Å; Y183-I189 HydrophobicContact CE1-CG1 3.73Å; Y183-I189 HydrophobicContact CE1-CG2 4.41Å; Y183-I189 HydrophobicContact CE2-CD1 4.28Å; Y183-I189 HydrophobicContact CE2-CG1 4.01Å; Y183-I189 HydrophobicContact CG-CG1 4.19Å; Y183-L250 HydrophobicContact CG-CD1 4.2Å; Y183-I290 HydrophobicContact CD2-CB 4.37Å; Y183-I290 HydrophobicContact CD2-CD1 4.48Å; Y183-I290 HydrophobicContact CD2-CG2 4.5Å; Y183-I290 HydrophobicContact CE2-CG2 4.18Å; Y183-T291 PolarHBondContact N-O 3.19Å; Y183-L292 CarbonylContact O-C 3.58Å; Y183-L292 VanDerWaalsContact O-CA 3.3Å; Y183-L292 WeakPolarHBondContact O-CA 3.17Å; Y183-W293 PolarHBondContact O-N 3.46Å; Y183-W293 PolarHBondContact O-NE1 2.83Å
184H95.6Very high95.5Very high28 Ų2834.9 Ų34.913%0.1317%0.17CC..EExtended strand (participates in β ladder)trans-75.9158.9168.365.186.9000110.9K186 D187 W293 K295H184-K186 PolarHBondContact CE1-O 2.85Å; H184-K186 PolarHBondContact ND1-N 2.89Å; H184-K186 PolarHBondContact O-N 3.21Å; H184-D187 IonicContact CD2-OD2 3.85Å; H184-D187 PolarHBondContact CD2-OD2 3.12Å; H184-D187 VanDerWaalsContact CE1-CA 3.42Å; H184-D187 WeakPolarHBondContact CE1-CA 3.14Å; H184-D187 PolarHBondContact CE1-N 3.37Å; H184-D187 PolarHBondContact ND1-N 2.91Å; H184-D187 IonicContact NE2-OD1 2.85Å; H184-D187 IonicContact NE2-OD2 3.85Å; H184-D187 VanDerWaalsContact O-CB 3.22Å; H184-D187 WeakPolarHBondContact O-CB 3.36Å; H184-D187 PolarHBondContact O-N 3.04Å; H184-W293 CarbonylContact C-O 3.59Å; H184-W293 WeakPolarHBondContact CA-O 3.09Å; H184-W293 HydrophobicContact CB-CD2 4.01Å; H184-W293 HydrophobicContact CB-CE3 4.28Å; H184-W293 HydrophobicContact CB-CH2 4.14Å; H184-W293 HydrophobicContact CB-CZ2 3.83Å; H184-W293 HydrophobicContact CB-CZ3 4.36Å; H184-K295 HydrophobicContact CB-CB 3.87Å
185L96Very high95.5Very high19 Ų1935 Ų3510%0.09917%0.17CC..THydrogen-bonded Turntrans-57.7-11.9-175.7-55-179.7000115.9L250 L255 T256 P257 L292 W293 R294L185-L250 CarbonylContact O-C 3.55Å; L185-L255 HydrophobicContact CD2-CB 4.06Å; L185-T256 WeakPolarHBondContact CD2-O 3Å; L185-P257 HydrophobicContact CD1-CG 4.27Å; L185-L292 HydrophobicContact CD2-CB 3.98Å; L185-L292 HydrophobicContact CD2-CD1 4.48Å; L185-W293 WeakPolarHBondContact CG-O 3.37Å; L185-W293 PolarHBondContact N-O 3.3Å; L185-R294 HydrophobicContact CD1-CB 4.18Å; L185-R294 HydrophobicContact CD1-CG 4.29Å; L185-R294 VanDerWaalsContact CD1-CZ 3.49Å
186K95.5Very high95.4Very high158 Ų15837.2 Ų37.269%0.68718%0.183SC*.THydrogen-bonded Turntrans-12214.3179-61.7-175.9178.1-179.10112.5H184 A251H184-K186 PolarHBondContact CE1-O 2.85Å; H184-K186 PolarHBondContact ND1-N 2.89Å; H184-K186 PolarHBondContact O-N 3.21Å; K186-A251 HydrophobicContact CB-CB 4.07Å; K186-A251 HydrophobicContact CG-CB 4.18Å
187D95.9Very high95.3Very high18 Ų1839.1 Ų39.110%0.09619%0.193CC..  trans-77.4178.2-177.6-150.3-24.2000110.1K180 Y183 H184 L250K180-D187 VanDerWaalsContact NZ-CG 3.28Å; K180-D187 IonicContact NZ-OD1 3.79Å; K180-D187 PolarHBondContact NZ-OD1 2.9Å; K180-D187 IonicContact NZ-OD2 3.91Å; K180-D187 PolarHBondContact NZ-OD2 3.45Å; Y183-D187 HydrophobicContact CD1-CB 4.07Å; H184-D187 IonicContact CD2-OD2 3.85Å; H184-D187 PolarHBondContact CD2-OD2 3.12Å; H184-D187 VanDerWaalsContact CE1-CA 3.42Å; H184-D187 WeakPolarHBondContact CE1-CA 3.14Å; H184-D187 PolarHBondContact CE1-N 3.37Å; H184-D187 PolarHBondContact ND1-N 2.91Å; H184-D187 IonicContact NE2-OD1 2.85Å; H184-D187 IonicContact NE2-OD2 3.85Å; H184-D187 VanDerWaalsContact O-CB 3.22Å; H184-D187 WeakPolarHBondContact O-CB 3.36Å; H184-D187 PolarHBondContact O-N 3.04Å; D187-L250 HydrophobicContact CB-CD1 4.31Å; D187-L250 VanDerWaalsContact O-CB 3.29Å; D187-L250 WeakPolarHBondContact O-CB 3.21Å; D187-L250 WeakPolarHBondContact O-CG 3.38Å; D187-L250 PolarHBondContact O-N 2.89Å
188V96.7Very high95.1Very high35 Ų3538.4 Ų38.421%0.21219%0.192CC..EExtended strand (participates in β ladder)trans-121.4126.1173.4-174.10000108.5V190 R247 L248 F249V188-V190 HydrophobicContact CB-CG2 4.43Å; V188-V190 HydrophobicContact CG1-CG2 4.02Å; V188-V190 PolarHBondContact O-N 2.98Å; V188-R247 HydrophobicContact CG1-CB 4.33Å; V188-L248 CarbonylContact C-O 3.59Å; V188-L248 WeakPolarHBondContact CA-O 3.31Å; V188-L248 WeakPolarHBondContact CG1-O 3.21Å; V188-F249 HydrophobicContact CG1-CD1 4.3Å; V188-F249 HydrophobicContact CG1-CE1 4.34Å; V188-F249 HydrophobicContact CG1-CG 4.46Å; V188-F249 HydrophobicContact CG2-CD1 3.45Å; V188-F249 VanDerWaalsContact CG2-CD1 3.45Å; V188-F249 HydrophobicContact CG2-CE1 3.7Å; V188-F249 HydrophobicContact CG2-CG 4.22Å
189I96.7Very high94.8Very high0 Ų046.4 Ų46.40%022%0.222CC..EExtended strand (participates in β ladder)trans-78.1113.1169.9-55.2-176.7000106.7Y183 R247 L248 L250 L272 I290Y183-I189 HydrophobicContact CD1-CG1 3.96Å; Y183-I189 HydrophobicContact CD2-CD1 4.44Å; Y183-I189 HydrophobicContact CD2-CG1 4.22Å; Y183-I189 HydrophobicContact CE1-CB 4.11Å; Y183-I189 HydrophobicContact CE1-CG1 3.73Å; Y183-I189 HydrophobicContact CE1-CG2 4.41Å; Y183-I189 HydrophobicContact CE2-CD1 4.28Å; Y183-I189 HydrophobicContact CE2-CG1 4.01Å; Y183-I189 HydrophobicContact CG-CG1 4.19Å; I189-R247 WeakPolarHBondContact O-CA 3.32Å; I189-L248 HydrophobicContact CB-CB 4.13Å; I189-L248 PolarHBondContact N-O 2.89Å; I189-L248 PolarHBondContact O-N 3.37Å; I189-L250 HydrophobicContact CD1-CD2 3.92Å; I189-L250 HydrophobicContact CG1-CD1 4.29Å; I189-L250 HydrophobicContact CG1-CD2 4.15Å; I189-L250 HydrophobicContact CG1-CG 4.29Å; I189-L272 HydrophobicContact CD1-CD1 4.15Å; I189-L272 HydrophobicContact CD1-CD2 3.76Å; I189-L272 HydrophobicContact CD1-CG 4.4Å; I189-L272 HydrophobicContact CG2-CD1 4.22Å; I189-I290 HydrophobicContact CD1-CD1 3.94Å
190V96.9Very high94.6Very high60 Ų6045 Ų4536%0.36421%0.214SC..EExtended strand (participates in β ladder)trans-109.1120.9178.4-177.30000107.5Y178 N179 V188 I246Y178-V190 WeakPolarHBondContact CA-O 3.25Å; N179-V190 HydrophobicContact CB-CB 4.48Å; N179-V190 WeakPolarHBondContact CB-O 3.42Å; N179-V190 PolarHBondContact N-O 2.67Å; N179-V190 PolarHBondContact OD1-N 2.92Å; N179-V190 PolarHBondContact OD1-O 2.97Å; V188-V190 HydrophobicContact CB-CG2 4.43Å; V188-V190 HydrophobicContact CG1-CG2 4.02Å; V188-V190 PolarHBondContact O-N 2.98Å; V190-I246 WeakPolarHBondContact CA-O 3.42Å
191G96.4Very high94.4Very high11 Ų1148.9 Ų48.911%0.11323%0.231CC..EExtended strand (participates in β ladder)trans-148.9-176.9-17800000113E177 I246E177-G191 CarbonylContact O-C 3.57Å; E177-G191 WeakPolarHBondContact O-CA 3.44Å; G191-I246 PolarHBondContact N-O 2.5Å; G191-I246 PolarHBondContact O-N 2.97Å
192K95.9Very high94.2Very high72 Ų7248 Ų4831%0.31322%0.224SC..EExtended strand (participates in β ladder)trans-151.4134-179.5-172.4164.1169.6-172.50109.6E177 Y194 S243 I244E177-K192 PolarHBondContact N-O 2.83Å; E177-K192 PolarHBondContact O-N 2.82Å; K192-Y194 HydrophobicContact CB-CE2 4.02Å; K192-Y194 HydrophobicContact CD-CE1 3.78Å; K192-Y194 HydrophobicContact CD-CE2 4.28Å; K192-Y194 WeakPolarHBondContact CD-OH 3.42Å; K192-Y194 HydrophobicContact CG-CD2 4.47Å; K192-Y194 HydrophobicContact CG-CE1 4.06Å; K192-Y194 HydrophobicContact CG-CE2 3.96Å; K192-S243 WeakPolarHBondContact CE-OG 3.39Å; K192-S243 PolarHBondContact NZ-OG 2.97Å; K192-I244 WeakPolarHBondContact CA-O 3.06Å
193I95.5Very high94.1Very high0 Ų049.2 Ų49.20%023%0.229CC..EExtended strand (participates in β ladder)trans-97.4134.2173.7-60.6176.5000108I174 E175 F176 F195 M205 I207 I233 S243 I244 I246 L274I174-I193 HydrophobicContact CG2-CG2 3.57Å; E175-I193 CarbonylContact O-C 3.53Å; E175-I193 WeakPolarHBondContact O-CA 3.37Å; F176-I193 HydrophobicContact CB-CG1 4.26Å; F176-I193 HydrophobicContact CD2-CG1 3.72Å; F176-I193 HydrophobicContact CE2-CG1 4.5Å; F176-I193 HydrophobicContact CG-CG1 4.26Å; I193-F195 HydrophobicContact CG2-CE1 4.34Å; I193-F195 HydrophobicContact CG2-CE2 4.05Å; I193-F195 HydrophobicContact CG2-CZ 3.92Å; I193-M205 HydrophobicContact CD1-CE 3.76Å; I193-M205 HydrophobicContact CD1-SD 4.2Å; I193-M205 HydrophobicContact CG2-CE 4.38Å; I193-M205 HydrophobicContact CG2-SD 4.49Å; I193-I207 HydrophobicContact CD1-CD1 4.19Å; I193-I233 HydrophobicContact CD1-CD1 3.42Å; I193-I233 VanDerWaalsContact CD1-CD1 3.42Å; I193-I233 HydrophobicContact CD1-CG1 4.44Å; I193-I233 HydrophobicContact CD1-CG2 4.33Å; I193-S243 CarbonylContact O-C 3.58Å; I193-S243 WeakPolarHBondContact O-CA 3.16Å; I193-S243 VanDerWaalsContact O-CB 3.23Å; I193-S243 WeakPolarHBondContact O-CB 3.23Å; I193-I244 PolarHBondContact N-O 2.81Å; I193-I244 PolarHBondContact O-N 2.88Å; I193-I246 HydrophobicContact CD1-CD1 4.05Å; I193-I246 HydrophobicContact CD1-CG1 4.1Å; I193-I246 HydrophobicContact CG1-CD1 4.47Å; I193-I246 HydrophobicContact CG1-CG1 4.05Å; I193-L274 HydrophobicContact CD1-CD1 4.49Å
194Y95.7Very high93.9Very high67 Ų6750.6 Ų50.626%0.26324%0.236SC..EExtended strand (participates in β ladder)trans-119.6128.4177.3-58.8-88.1000110.1I174 E175 E177 K192 L196I174-Y194 WeakPolarHBondContact CA-O 3.36Å; E175-Y194 HydrophobicContact CB-CD2 4.5Å; E175-Y194 PolarHBondContact N-O 3.35Å; E175-Y194 PolarHBondContact O-N 3.05Å; E177-Y194 HydrophobicContact CB-CE2 4.19Å; K192-Y194 HydrophobicContact CB-CE2 4.02Å; K192-Y194 HydrophobicContact CD-CE1 3.78Å; K192-Y194 HydrophobicContact CD-CE2 4.28Å; K192-Y194 WeakPolarHBondContact CD-OH 3.42Å; K192-Y194 HydrophobicContact CG-CD2 4.47Å; K192-Y194 HydrophobicContact CG-CE1 4.06Å; K192-Y194 HydrophobicContact CG-CE2 3.96Å; Y194-L196 PolarHBondContact O-N 3.35Å
195F94.1Very high93.8Very high1 Ų149.3 Ų49.30%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-95.993.1177-63.7-81.7000109.9I174 I193 V198 I202 M205 M234 P238 R240 G241 E242 I244I174-F195 HydrophobicContact CD1-CD1 3.66Å; I174-F195 HydrophobicContact CD1-CE1 3.59Å; I174-F195 HydrophobicContact CG1-CD1 3.68Å; I174-F195 HydrophobicContact CG1-CE1 4.05Å; I193-F195 HydrophobicContact CG2-CE1 4.34Å; I193-F195 HydrophobicContact CG2-CE2 4.05Å; I193-F195 HydrophobicContact CG2-CZ 3.92Å; F195-V198 HydrophobicContact CB-CG2 3.83Å; F195-V198 HydrophobicContact CD1-CG2 3.87Å; F195-V198 HydrophobicContact CG-CG2 4.26Å; F195-I202 HydrophobicContact CE1-CD1 4.31Å; F195-M205 HydrophobicContact CE1-CE 4.31Å; F195-M205 HydrophobicContact CE1-SD 4.3Å; F195-M205 HydrophobicContact CZ-CE 3.67Å; F195-M205 HydrophobicContact CZ-SD 4.24Å; F195-M234 HydrophobicContact CE1-SD 4.39Å; F195-M234 HydrophobicContact CZ-SD 3.79Å; F195-P238 HydrophobicContact CD1-CB 3.73Å; F195-P238 HydrophobicContact CD1-CG 3.43Å; F195-P238 VanDerWaalsContact CD1-CG 3.43Å; F195-P238 HydrophobicContact CD2-CB 3.84Å; F195-P238 HydrophobicContact CD2-CG 4.44Å; F195-P238 HydrophobicContact CE1-CB 3.69Å; F195-P238 HydrophobicContact CE1-CG 3.22Å; F195-P238 HydrophobicContact CE2-CB 3.78Å; F195-P238 HydrophobicContact CE2-CG 4.25Å; F195-P238 HydrophobicContact CG-CB 3.81Å; F195-P238 HydrophobicContact CG-CG 4.06Å; F195-P238 HydrophobicContact CZ-CB 3.7Å; F195-P238 HydrophobicContact CZ-CG 3.65Å; F195-R240 WeakPolarHBondContact O-CA 3.36Å; F195-G241 PolarHBondContact O-N 3.34Å; F195-E242 HydrophobicContact CD2-CB 4.03Å; F195-E242 WeakPolarHBondContact CD2-O 3.07Å; F195-E242 PolarHBondContact N-O 3Å; F195-E242 VanDerWaalsContact N-O 3.11Å; F195-I244 HydrophobicContact CE2-CD1 3.75Å; F195-I244 HydrophobicContact CE2-CG1 4.03Å; F195-I244 HydrophobicContact CZ-CD1 4.03Å
196L93Very high93.8Very high70 Ų7049.1 Ų49.137%0.36623%0.228SC..EExtended strand (participates in β ladder)trans-81.6-37.2-175.6-59.4177.2000112.2H173 E175 Y194 R240H173-L196 HydrophobicContact CB-CB 4.14Å; H173-L196 WeakPolarHBondContact O-CA 3.03Å; H173-L196 WeakPolarHBondContact O-CB 3.29Å; H173-L196 PolarHBondContact O-N 2.91Å; E175-L196 HydrophobicContact CB-CD1 4.3Å; Y194-L196 PolarHBondContact O-N 3.35Å; L196-R240 WeakPolarHBondContact O-CD 3.41Å; L196-R240 WeakPolarHBondContact O-CG 3.34Å; L196-R240 PolarHBondContact O-NE 2.8Å; L196-R240 VanDerWaalsContact O-NE 3.14Å
197L92.8Very high93.8Very high40 Ų4041.6 Ų41.621%0.20920%0.196CC..EExtended strand (participates in β ladder)trans-146.2128.2174.4-178.565.1000109.5L172 H173 R199L172-L197 CarbonylContact C-O 3.5Å; L172-L197 WeakPolarHBondContact CA-O 3.46Å; H173-L197 HydrophobicContact CB-CB 3.77Å; H173-L197 PolarHBondContact N-O 2.77Å; H173-L197 PolarHBondContact O-N 2.87Å; L197-R199 HydrophobicContact CD1-CG 4Å; L197-R199 HydrophobicContact CG-CG 4.39Å
198V91.6Very high93.8Very high32 Ų3241.1 Ų41.119%0.19419%0.193CC..EExtended strand (participates in β ladder)trans-13894.7176.6-171.30000108F195 I200 I202 P238F195-V198 HydrophobicContact CB-CG2 3.83Å; F195-V198 HydrophobicContact CD1-CG2 3.87Å; F195-V198 HydrophobicContact CG-CG2 4.26Å; V198-I200 VanDerWaalsContact CG1-O 3.31Å; V198-I200 WeakPolarHBondContact CG1-O 3.38Å; V198-I202 HydrophobicContact CG1-CD1 4.28Å; V198-P238 HydrophobicContact CG1-CG 4.42Å; V198-P238 HydrophobicContact CG2-CG 4.43Å
199R90.8Very high93.9Very high170 Ų17039.6 Ų39.664%0.64218%0.184SC*.  trans-104.9-17.2170.7-58.9-160.4-179.6144.5-10.7112.8D170 C171 L197D170-R199 WeakPolarHBondContact O-CD 3.12Å; D170-R199 PolarHBondContact O-NH1 3.09Å; D170-R199 IonicContact OD1-NH1 3.09Å; C171-R199 WeakPolarHBondContact O-CA 3.48Å; C171-R199 WeakPolarHBondContact O-CB 3.34Å; C171-R199 PolarHBondContact O-N 2.81Å; L197-R199 HydrophobicContact CD1-CG 4Å; L197-R199 HydrophobicContact CG-CG 4.39Å
200I89.6Confident94Very high27 Ų2740.5 Ų40.514%0.13819%0.189CC..SBendtrans-93.2138.7172.6-60176.4000108.7I168 C171 V198 I202 D278I168-I200 HydrophobicContact CD1-CD1 4.02Å; C171-I200 HydrophobicContact CB-CD1 3.77Å; C171-I200 HydrophobicContact CB-CG1 4.02Å; V198-I200 VanDerWaalsContact CG1-O 3.31Å; V198-I200 WeakPolarHBondContact CG1-O 3.38Å; I200-I202 PolarHBondContact O-N 2.71Å; I200-D278 HydrophobicContact CG2-CB 3.59Å
201K89.6Confident94Very high124 Ų12439.1 Ų39.154%0.53918%0.178SC..  trans-77114.6174.3-66.6179.6175.5-175.10110.3D278 E279K201-D278 WeakPolarHBondContact O-CA 3.37Å; K201-D278 VanDerWaalsContact O-CB 3.31Å; K201-D278 WeakPolarHBondContact O-CB 3.4Å; K201-E279 HydrophobicContact CB-CG 3.86Å; K201-E279 HydrophobicContact CD-CG 4.46Å; K201-E279 WeakPolarHBondContact CD-OE1 3.43Å; K201-E279 WeakPolarHBondContact CD-OE2 3.08Å; K201-E279 IonicContact NZ-OE1 3.9Å; K201-E279 IonicContact NZ-OE2 3.47Å; K201-E279 PolarHBondContact NZ-OE2 2.96Å; K201-E279 PolarHBondContact O-N 2.89Å; K201-E279 VanDerWaalsContact O-N 3.15Å
202I90.3Very high94.1Very high6 Ų641.5 Ų41.53%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-82130.7176.9-57.4171.9000108.1L172 I174 F195 V198 I200 G236 P238 L276L172-I202 HydrophobicContact CD1-CD1 4.05Å; I174-I202 HydrophobicContact CD1-CD1 3.72Å; F195-I202 HydrophobicContact CE1-CD1 4.31Å; V198-I202 HydrophobicContact CG1-CD1 4.28Å; I200-I202 PolarHBondContact O-N 2.71Å; I202-G236 CarbonylContact O-C 3.35Å; I202-P238 HydrophobicContact CD1-CG 3.78Å; I202-L276 HydrophobicContact CD1-CD2 4.12Å
203K91.6Very high94.2Very high96 Ų9638.3 Ų38.342%0.41717%0.169SC..EExtended strand (participates in β ladder)trans-91-51.3175.4-177.1-174.2179-168.50110.4G236 I277 E281K203-G236 PolarHBondContact O-N 2.81Å; K203-I277 WeakPolarHBondContact CA-O 3.34Å; K203-I277 WeakPolarHBondContact CB-O 3.32Å; K203-I277 PolarHBondContact N-O 2.91Å; K203-E281 IonicContact NZ-OE1 2.58Å; K203-E281 PolarHBondContact NZ-OE1 2.91Å; K203-E281 IonicContact NZ-OE2 3.6Å
204H91.9Very high94.3Very high29 Ų2939.9 Ų39.913%0.13418%0.179CC..EExtended strand (participates in β ladder)trans-138.7143.6-174.2-177.271.8000111.1E206 D235 I277H204-E206 IonicContact CD2-OE2 3.13Å; H204-E206 IonicContact CE1-OE2 3.77Å; H204-E206 IonicContact NE2-OE2 2.72Å; H204-E206 PolarHBondContact NE2-OE2 2.9Å; H204-D235 IonicContact ND1-OD1 2.84Å; H204-I277 HydrophobicContact CB-CB 4.15Å; H204-I277 HydrophobicContact CB-CD1 4.39Å; H204-I277 HydrophobicContact CB-CG1 4.38Å; H204-I277 PolarHBondContact N-O 2.8Å; H204-I277 PolarHBondContact O-N 2.89Å
205M93.4Very high94.4Very high0 Ų036.7 Ų36.70%017%0.167CC..EExtended strand (participates in β ladder)trans-140.5133.9171.6-173.517662.500111.1I193 F195 I233 M234 I244 L274 V275 L276I193-M205 HydrophobicContact CD1-CE 3.76Å; I193-M205 HydrophobicContact CD1-SD 4.2Å; I193-M205 HydrophobicContact CG2-CE 4.38Å; I193-M205 HydrophobicContact CG2-SD 4.49Å; F195-M205 HydrophobicContact CE1-CE 4.31Å; F195-M205 HydrophobicContact CE1-SD 4.3Å; F195-M205 HydrophobicContact CZ-CE 3.67Å; F195-M205 HydrophobicContact CZ-SD 4.24Å; M205-I233 HydrophobicContact CE-CB 3.83Å; M205-I233 HydrophobicContact CE-CD1 3.95Å; M205-I233 HydrophobicContact CE-CG2 3.46Å; M205-I233 VanDerWaalsContact CE-CG2 3.46Å; M205-I233 HydrophobicContact CG-CD1 4.08Å; M205-I233 PolarHBondContact O-N 3.05Å; M205-I233 HydrophobicContact SD-CD1 4.48Å; M205-M234 HydrophobicContact CB-CG 4.05Å; M205-M234 HydrophobicContact CE-CG 4.12Å; M205-M234 HydrophobicContact CE-SD 3.72Å; M205-M234 PolarHBondContact N-O 3.14Å; M205-I244 HydrophobicContact CE-CD1 4.31Å; M205-L274 HydrophobicContact CG-CD1 4.14Å; M205-L274 HydrophobicContact SD-CD1 4.24Å; M205-V275 WeakPolarHBondContact CA-O 3.48Å; M205-L276 HydrophobicContact CG-CD2 4.14Å; M205-L276 HydrophobicContact CG-CG 4.11Å; M205-L276 HydrophobicContact SD-CD2 3.85Å; M205-L276 HydrophobicContact SD-CG 4.39Å
206E95.1Very high94.1Very high15 Ų1537.2 Ų37.27%0.0717%0.172CC..EExtended strand (participates in β ladder)trans-141.6156.8178.663.8-171.9-167.900112.2H204 Y231 V275H204-E206 IonicContact CD2-OE2 3.13Å; H204-E206 IonicContact CE1-OE2 3.77Å; H204-E206 IonicContact NE2-OE2 2.72Å; H204-E206 PolarHBondContact NE2-OE2 2.9Å; E206-Y231 CarbonylContact C-O 3.58Å; E206-Y231 VanDerWaalsContact CA-O 3.23Å; E206-Y231 WeakPolarHBondContact CA-O 3.46Å; E206-Y231 WeakPolarHBondContact CB-O 3.47Å; E206-V275 HydrophobicContact CG-CB 3.71Å; E206-V275 HydrophobicContact CG-CG1 4.26Å; E206-V275 HydrophobicContact CG-CG2 4.31Å; E206-V275 PolarHBondContact N-O 2.79Å; E206-V275 PolarHBondContact O-N 2.71Å
207I96Very high93.4Very high1 Ų137 Ų371%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-114.5123.3165.7-70.2164.3000108.4F176 I193 Y231 I233 I246 L248 L272 N273 L274F176-I207 HydrophobicContact CD1-CD1 4.21Å; F176-I207 HydrophobicContact CD2-CD1 4.32Å; F176-I207 HydrophobicContact CE1-CD1 3.81Å; F176-I207 HydrophobicContact CE2-CD1 3.93Å; F176-I207 HydrophobicContact CG-CD1 4.46Å; F176-I207 HydrophobicContact CZ-CD1 3.67Å; I193-I207 HydrophobicContact CD1-CD1 4.19Å; I207-Y231 PolarHBondContact N-O 3.08Å; I207-Y231 WeakPolarHBondContact O-CB 3.43Å; I207-Y231 PolarHBondContact O-N 3.49Å; I207-I233 HydrophobicContact CB-CD1 4.37Å; I207-I233 HydrophobicContact CD1-CD1 3.71Å; I207-I233 HydrophobicContact CG1-CD1 3.63Å; I207-I246 HydrophobicContact CD1-CG1 4.3Å; I207-I246 HydrophobicContact CD1-CG2 4.21Å; I207-L248 HydrophobicContact CG2-CD1 3.89Å; I207-L272 HydrophobicContact CG2-CD2 4.18Å; I207-N273 WeakPolarHBondContact CA-O 3.49Å; I207-L274 HydrophobicContact CG1-CD1 3.85Å
208D97.4Very high92.7Very high8 Ų838.2 Ų38.24%0.04320%0.196CC..EExtended strand (participates in β ladder)trans-100.6148.3174-49-40.3000111.7I210 T227 A229 K230 L272 N273D208-I210 HydrophobicContact CB-CD1 4.47Å; D208-I210 HydrophobicContact CB-CG1 3.98Å; D208-T227 HydrophobicContact CB-CG2 4.05Å; D208-A229 CarbonylContact C-O 3.59Å; D208-A229 WeakPolarHBondContact CA-O 3.36Å; D208-K230 WeakPolarHBondContact OD1-CG 3.28Å; D208-L272 WeakPolarHBondContact O-CA 3.5Å; D208-N273 HydrophobicContact CB-CB 4.18Å; D208-N273 PolarHBondContact N-O 3.32Å; D208-N273 PolarHBondContact O-N 3.43Å; D208-N273 PolarHBondContact OD2-ND2 2.84Å
209I97.9Very high92.1Very high2 Ų243.2 Ų43.21%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-99.3109.4159.9-58.9176.3000107.1I228 A229 L250 Y253 L255 Y270 Y271 L272I209-I228 HydrophobicContact CB-CB 4.43Å; I209-I228 HydrophobicContact CG2-CB 4.29Å; I209-I228 WeakPolarHBondContact O-CB 3.36Å; I209-I228 PolarHBondContact O-N 3.01Å; I209-A229 HydrophobicContact CB-CB 3.98Å; I209-A229 HydrophobicContact CD1-CB 4Å; I209-A229 HydrophobicContact CG1-CB 4.05Å; I209-A229 PolarHBondContact N-O 3.45Å; I209-A229 PolarHBondContact O-N 2.96Å; I209-L250 HydrophobicContact CD1-CD2 3.61Å; I209-Y253 HydrophobicContact CD1-CD2 4.42Å; I209-Y253 HydrophobicContact CD1-CE2 4.45Å; I209-L255 HydrophobicContact CG2-CD2 4.5Å; I209-Y270 HydrophobicContact CG2-CD1 4.24Å; I209-Y271 WeakPolarHBondContact CA-O 3.29Å; I209-L272 HydrophobicContact CG1-CD2 4.01Å
210I98.2Very high91.8Very high20 Ų2037.8 Ų37.810%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-103123.8179.2-56.8-178.9000109.3D208 N225 D226 Y270 Y271 N273D208-I210 HydrophobicContact CB-CD1 4.47Å; D208-I210 HydrophobicContact CB-CG1 3.98Å; I210-N225 HydrophobicContact CG2-CB 4.24Å; I210-D226 CarbonylContact C-O 3.54Å; I210-D226 WeakPolarHBondContact CA-O 3.25Å; I210-Y270 CarbonylContact O-C 3.58Å; I210-Y270 WeakPolarHBondContact O-CA 3.49Å; I210-Y271 PolarHBondContact N-O 2.9Å; I210-Y271 PolarHBondContact O-N 2.81Å; I210-N273 HydrophobicContact CD1-CB 3.53Å; I210-N273 HydrophobicContact CG1-CB 4.04Å
211K98.4Very high92Very high31 Ų3139.5 Ų39.514%0.13523%0.228CC..EExtended strand (participates in β ladder)trans-90.8123.6167177.8-172.4174.4-168.40108.3Y119 N225 D226 I228 V268 R269 Y270Y119-K211 WeakPolarHBondContact OH-CE 3.43Å; Y119-K211 PolarHBondContact OH-NZ 3.17Å; K211-N225 CarbonylContact O-C 3.53Å; K211-N225 WeakPolarHBondContact O-CA 3.42Å; K211-D226 HydrophobicContact CB-CB 4.37Å; K211-D226 PolarHBondContact N-O 3.02Å; K211-D226 PolarHBondContact O-N 3.16Å; K211-I228 HydrophobicContact CB-CD1 3.78Å; K211-I228 HydrophobicContact CB-CG1 3.65Å; K211-I228 HydrophobicContact CD-CD1 4.06Å; K211-V268 HydrophobicContact CD-CG1 4.31Å; K211-V268 HydrophobicContact CG-CG1 3.96Å; K211-R269 CarbonylContact C-O 3.5Å; K211-R269 WeakPolarHBondContact CA-O 3.32Å; K211-Y270 HydrophobicContact CB-CD1 4.09Å; K211-Y270 HydrophobicContact CB-CE1 3.75Å; K211-Y270 HydrophobicContact CD-CE1 4.3Å; K211-Y270 HydrophobicContact CG-CE1 3.89Å
212R98.3Very high92.2Very high60 Ų6038.4 Ų38.423%0.22622%0.222CC..EExtended strand (participates in β ladder)trans-109.9117.1171.8-174.3174.8-63.316211.8109.7E224 N225 V268 R269 Y271R212-E224 CarbonylContact C-O 3.5Å; R212-E224 WeakPolarHBondContact CA-O 3.49Å; R212-N225 WeakPolarHBondContact CG-OD1 3.46Å; R212-N225 PolarHBondContact NE-OD1 3.03Å; R212-V268 WeakPolarHBondContact O-CA 3.44Å; R212-R269 PolarHBondContact N-O 2.79Å; R212-R269 PolarHBondContact O-N 3.08Å; R212-Y271 HydrophobicContact CB-CD2 4.3Å; R212-Y271 HydrophobicContact CB-CE2 3.84Å
213E98.3Very high92.4Very high6 Ų643.3 Ų43.33%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-96.7123.3168.4-179.3-175.5119.700108.7Y119 G121 Q122 N123 V124 T215 H223 E224 S267Y119-E213 WeakPolarHBondContact CE1-OE2 3.44Å; Y119-E213 PolarHBondContact OH-OE2 2.81Å; G121-E213 WeakPolarHBondContact CA-OE2 3.47Å; Q122-E213 PolarHBondContact N-OE1 2.89Å; Q122-E213 PolarHBondContact N-OE2 2.87Å; N123-E213 WeakPolarHBondContact CA-OE1 3.39Å; N123-E213 WeakPolarHBondContact CB-OE1 3.41Å; N123-E213 PolarHBondContact N-OE1 2.81Å; V124-E213 HydrophobicContact CG1-CG 4.28Å; E213-T215 PolarHBondContact OE1-OG1 3.44Å; E213-H223 WeakPolarHBondContact O-CA 3.31Å; E213-E224 HydrophobicContact CB-CB 4.3Å; E213-E224 PolarHBondContact N-O 3.36Å; E213-E224 PolarHBondContact O-N 3.06Å; E213-S267 WeakPolarHBondContact CA-O 3.41Å
214T97.5Very high92.7Very high33 Ų3342.4 Ų42.420%0.20224%0.241CC..EExtended strand (participates in β ladder)trans-115.1125.7173.2-620000107.9V221 Y222 H223 F266 S267T214-V221 HydrophobicContact CG2-CG1 3.54Å; T214-Y222 CarbonylContact C-O 3.5Å; T214-Y222 VanDerWaalsContact CA-O 3.32Å; T214-Y222 WeakPolarHBondContact CA-O 2.93Å; T214-H223 VanDerWaalsContact CG2-CE1 3.43Å; T214-H223 WeakPolarHBondContact CG2-CE1 3.43Å; T214-H223 PolarHBondContact OG1-ND1 2.95Å; T214-F266 CarbonylContact O-C 3.57Å; T214-F266 WeakPolarHBondContact O-CA 3.47Å; T214-F266 VanDerWaalsContact O-CB 3.29Å; T214-F266 WeakPolarHBondContact O-CB 3.49Å; T214-S267 PolarHBondContact N-O 3.28Å; T214-S267 PolarHBondContact O-N 3Å
215T96.1Very high92.9Very high0 Ų045.4 Ų45.40%026%0.259CS..EExtended strand (participates in β ladder)trans-131141.9-174.5-56.60000110.2L76 Y78 N123 V124 E213 V221 Y222 F266L76-T215 HydrophobicContact CD2-CG2 3.39Å; Y78-T215 HydrophobicContact CE1-CG2 4.04Å; N123-T215 HydrophobicContact CB-CG2 4.39Å; V124-T215 HydrophobicContact CB-CG2 3.89Å; V124-T215 HydrophobicContact CG1-CG2 4.49Å; E213-T215 PolarHBondContact OE1-OG1 3.44Å; T215-V221 WeakPolarHBondContact O-CA 3.35Å; T215-Y222 PolarHBondContact N-O 3.01Å; T215-Y222 PolarHBondContact O-N 2.93Å; T215-F266 HydrophobicContact CG2-CB 4.35Å
216G88.9Confident93Very high12 Ų1249.7 Ų49.712%0.12428%0.281CS..EExtended strand (participates in β ladder)trans108.1174.8175.300000114.3Y78 S220 K265Y78-G216 WeakPolarHBondContact OH-CA 3.34Å; G216-S220 WeakPolarHBondContact CA-O 3.35Å; G216-K265 PolarHBondContact N-O 3.01Å
217T78.9Confident93.1Very high66 Ų6651.9 Ų51.941%0.40530%0.296SS..EExtended strand (participates in β ladder)trans-136.6140.1-174.349.60000111.5K264 K265T217-K264 WeakPolarHBondContact CG2-O 3.23Å; T217-K265 HydrophobicContact CG2-CD 4.28Å
218G77.3Confident93.1Very high64 Ų6453.5 Ų53.566%0.6630%0.304SS*.THydrogen-bonded Turntrans69.6-128.6175.400000112.2S220 V221G218-S220 VanDerWaalsContact C-N 3.27Å; G218-S220 PolarHBondContact O-N 3.43Å; G218-V221 WeakPolarHBondContact O-CG2 3.45Å
219P78.6Confident93Very high138 Ų13853.4 Ų53.490%0.89631%0.305SS*.THydrogen-bonded Turntrans-74.6-12.8-175.830.2-34.3000114.2
220S85.7Confident92.9Very high56 Ų5659.4 Ų59.439%0.39233%0.331SS..EExtended strand (participates in β ladder)trans-109.769.8-176.2-57.30000110.7G216 G218G216-S220 WeakPolarHBondContact CA-O 3.35Å; G218-S220 VanDerWaalsContact C-N 3.27Å; G218-S220 PolarHBondContact O-N 3.43Å
221V92.8Very high92.7Very high62 Ų6262.6 Ų62.638%0.37634%0.342SS..EExtended strand (participates in β ladder)trans-103.7128.4175.8-179.80000109.5T214 T215 G218T214-V221 HydrophobicContact CG2-CG1 3.54Å; T215-V221 WeakPolarHBondContact O-CA 3.35Å; G218-V221 WeakPolarHBondContact O-CG2 3.45Å
222Y93.6Very high92.5Very high101 Ų10167.6 Ų67.640%0.39637%0.366SS..EExtended strand (participates in β ladder)trans-111.9143178.5-58.2-88.4000109.5Y78 T214 T215Y78-Y222 AromaticContact CD1-CD2 3.82Å; Y78-Y222 HydrophobicContact CD1-CD2 3.82Å; Y78-Y222 AromaticContact CD1-CE2 3.66Å; Y78-Y222 HydrophobicContact CD1-CE2 3.66Å; Y78-Y222 HydrophobicContact CD2-CE2 4.26Å; Y78-Y222 HydrophobicContact CE1-CD2 4.08Å; Y78-Y222 HydrophobicContact CE1-CE2 4.04Å; Y78-Y222 HydrophobicContact CG-CD2 4.39Å; Y78-Y222 AromaticContact CG-CE2 3.77Å; Y78-Y222 HydrophobicContact CG-CE2 3.77Å; T214-Y222 CarbonylContact C-O 3.5Å; T214-Y222 VanDerWaalsContact CA-O 3.32Å; T214-Y222 WeakPolarHBondContact CA-O 2.93Å; T215-Y222 PolarHBondContact N-O 3.01Å; T215-Y222 PolarHBondContact O-N 2.93Å
223H94.8Very high92.1Very high109 Ų10966.1 Ų66.151%0.50536%0.362SS..EExtended strand (participates in β ladder)trans-127.7124.5179.8-62.4-68.6000110.1E213 T214E213-H223 WeakPolarHBondContact O-CA 3.31Å; T214-H223 VanDerWaalsContact CG2-CE1 3.43Å; T214-H223 WeakPolarHBondContact CG2-CE1 3.43Å; T214-H223 PolarHBondContact OG1-ND1 2.95Å
224E96.8Very high91.3Very high77 Ų7767.5 Ų67.536%0.3637%0.369SS..EExtended strand (participates in β ladder)trans-116.7130.7172.4-62.3-63.6160.200108.9Q122 N123 R212 E213Q122-E224 HydrophobicContact CB-CB 4.31Å; Q122-E224 HydrophobicContact CB-CG 3.98Å; Q122-E224 HydrophobicContact CG-CB 4.46Å; Q122-E224 HydrophobicContact CG-CG 3.83Å; N123-E224 WeakPolarHBondContact ND2-CG 3.29Å; N123-E224 PolarHBondContact ND2-OE1 2.83Å; R212-E224 CarbonylContact C-O 3.5Å; R212-E224 WeakPolarHBondContact CA-O 3.49Å; E213-E224 HydrophobicContact CB-CB 4.3Å; E213-E224 PolarHBondContact N-O 3.36Å; E213-E224 PolarHBondContact O-N 3.06Å
225N96.4Very high90.2Very high93 Ų9372.5 Ų72.550%0.49740%0.395SS..EExtended strand (participates in β ladder)trans-113.8128.2173.6-61.5-65000108.6I210 K211 R212I210-N225 HydrophobicContact CG2-CB 4.24Å; K211-N225 CarbonylContact O-C 3.53Å; K211-N225 WeakPolarHBondContact O-CA 3.42Å; R212-N225 WeakPolarHBondContact CG-OD1 3.46Å; R212-N225 PolarHBondContact NE-OD1 3.03Å
226D96.3Very high89.1Confident89 Ų8974 Ų7448%0.47641%0.41SS..EExtended strand (participates in β ladder)trans-120.3127.7175.3-175.912.9000109.1I210 K211 I228I210-D226 CarbonylContact C-O 3.54Å; I210-D226 WeakPolarHBondContact CA-O 3.25Å; K211-D226 HydrophobicContact CB-CB 4.37Å; K211-D226 PolarHBondContact N-O 3.02Å; K211-D226 PolarHBondContact O-N 3.16Å; D226-I228 HydrophobicContact CB-CD1 4.23Å; D226-I228 PolarHBondContact O-N 2.89Å; D226-I228 VanDerWaalsContact OD2-CD1 3.3Å; D226-I228 WeakPolarHBondContact OD2-CD1 3.3Å
227T97.1Very high88.6Confident62 Ų6276.5 Ų76.538%0.3843%0.43SS..EExtended strand (participates in β ladder)trans-90.296.3178-54.60000108.4D208 K230D208-T227 HydrophobicContact CB-CG2 4.05Å; T227-K230 HydrophobicContact CG2-CD 4.34Å; T227-K230 HydrophobicContact CG2-CG 3.66Å
228I96.5Very high89.1Confident34 Ų3473.6 Ų73.617%0.17441%0.412CS..EExtended strand (participates in β ladder)trans-71.4-38.3-172.5-55.2-59.8000111.9I209 K211 D226 Y253 L255 Y270I209-I228 HydrophobicContact CB-CB 4.43Å; I209-I228 HydrophobicContact CG2-CB 4.29Å; I209-I228 WeakPolarHBondContact O-CB 3.36Å; I209-I228 PolarHBondContact O-N 3.01Å; K211-I228 HydrophobicContact CB-CD1 3.78Å; K211-I228 HydrophobicContact CB-CG1 3.65Å; K211-I228 HydrophobicContact CD-CD1 4.06Å; D226-I228 HydrophobicContact CB-CD1 4.23Å; D226-I228 PolarHBondContact O-N 2.89Å; D226-I228 VanDerWaalsContact OD2-CD1 3.3Å; D226-I228 WeakPolarHBondContact OD2-CD1 3.3Å; I228-Y253 HydrophobicContact CG2-CD1 4.31Å; I228-Y253 HydrophobicContact CG2-CG 4.24Å; I228-L255 HydrophobicContact CG2-CD2 3.83Å; I228-Y270 HydrophobicContact CG1-CE1 4.47Å
229A95.6Very high89.6Confident7 Ų774.6 Ų74.66%0.05841%0.405CS..EExtended strand (participates in β ladder)trans-143143.1-178.900000109.2D208 I209 Y253D208-A229 CarbonylContact C-O 3.59Å; D208-A229 WeakPolarHBondContact CA-O 3.36Å; I209-A229 HydrophobicContact CB-CB 3.98Å; I209-A229 HydrophobicContact CD1-CB 4Å; I209-A229 HydrophobicContact CG1-CB 4.05Å; I209-A229 PolarHBondContact N-O 3.45Å; I209-A229 PolarHBondContact O-N 2.96Å; A229-Y253 HydrophobicContact CB-CD1 3.86Å; A229-Y253 HydrophobicContact CB-CD2 4.27Å; A229-Y253 HydrophobicContact CB-CE1 3.36Å; A229-Y253 HydrophobicContact CB-CE2 3.81Å; A229-Y253 HydrophobicContact CB-CG 4.29Å
230K95.9Very high90.2Very high128 Ų12877.2 Ų77.256%0.55740%0.397SS*.EExtended strand (participates in β ladder)trans-122.8120.6166.2-60.7-167.9174.8-168.70108D208 T227D208-K230 WeakPolarHBondContact OD1-CG 3.28Å; T227-K230 HydrophobicContact CG2-CD 4.34Å; T227-K230 HydrophobicContact CG2-CG 3.66Å
231Y93.9Very high90.4Very high86 Ų8677.7 Ų77.734%0.33741%0.411SS..EExtended strand (participates in β ladder)trans-112.298.2177.2-171.6-92.1000108.7E206 I207 I233 I246 L248E206-Y231 CarbonylContact C-O 3.58Å; E206-Y231 VanDerWaalsContact CA-O 3.23Å; E206-Y231 WeakPolarHBondContact CA-O 3.46Å; E206-Y231 WeakPolarHBondContact CB-O 3.47Å; I207-Y231 PolarHBondContact N-O 3.08Å; I207-Y231 WeakPolarHBondContact O-CB 3.43Å; I207-Y231 PolarHBondContact O-N 3.49Å; Y231-I233 HydrophobicContact CD1-CG1 3.79Å; Y231-I233 HydrophobicContact CE1-CG1 4.1Å; Y231-I233 PolarHBondContact O-N 2.76Å; Y231-I246 HydrophobicContact CE1-CD1 4.13Å; Y231-L248 HydrophobicContact CD1-CD2 3.62Å; Y231-L248 HydrophobicContact CD2-CD2 3.21Å; Y231-L248 HydrophobicContact CE1-CD2 4.07Å; Y231-L248 HydrophobicContact CE2-CD2 3.68Å; Y231-L248 HydrophobicContact CG-CD2 3.16Å
232E93.1Very high90.4Very high136 Ų13679 Ų7964%0.63641%0.413SS*.EExtended strand (participates in β ladder)trans-69.3125.4175.2-60.7178.6177.200108.8
233I89.3Confident90.4Very high29 Ų2976.5 Ų76.515%0.14941%0.41CS..EExtended strand (participates in β ladder)trans-100.2-47.8-172.7-63.1158.4000110.6I193 M205 I207 Y231 I244 I246I193-I233 HydrophobicContact CD1-CD1 3.42Å; I193-I233 VanDerWaalsContact CD1-CD1 3.42Å; I193-I233 HydrophobicContact CD1-CG1 4.44Å; I193-I233 HydrophobicContact CD1-CG2 4.33Å; M205-I233 HydrophobicContact CE-CB 3.83Å; M205-I233 HydrophobicContact CE-CD1 3.95Å; M205-I233 HydrophobicContact CE-CG2 3.46Å; M205-I233 VanDerWaalsContact CE-CG2 3.46Å; M205-I233 HydrophobicContact CG-CD1 4.08Å; M205-I233 PolarHBondContact O-N 3.05Å; M205-I233 HydrophobicContact SD-CD1 4.48Å; I207-I233 HydrophobicContact CB-CD1 4.37Å; I207-I233 HydrophobicContact CD1-CD1 3.71Å; I207-I233 HydrophobicContact CG1-CD1 3.63Å; Y231-I233 HydrophobicContact CD1-CG1 3.79Å; Y231-I233 HydrophobicContact CE1-CG1 4.1Å; Y231-I233 PolarHBondContact O-N 2.76Å; I233-I244 HydrophobicContact CG2-CB 4.49Å; I233-I244 HydrophobicContact CG2-CD1 3.85Å; I233-I244 HydrophobicContact CG2-CG2 3.89Å; I233-I246 HydrophobicContact CD1-CD1 4.24Å; I233-I246 HydrophobicContact CG1-CD1 4.01Å; I233-I246 HydrophobicContact CG2-CD1 4.16Å
234M82.6Confident90.4Very high35 Ų3573.3 Ų73.317%0.17240%0.397CS..EExtended strand (participates in β ladder)trans-154.3147.1-175.980.7-169.7-63.200113.1F195 M205 G236 P238 I244F195-M234 HydrophobicContact CE1-SD 4.39Å; F195-M234 HydrophobicContact CZ-SD 3.79Å; M205-M234 HydrophobicContact CB-CG 4.05Å; M205-M234 HydrophobicContact CE-CG 4.12Å; M205-M234 HydrophobicContact CE-SD 3.72Å; M205-M234 PolarHBondContact N-O 3.14Å; M234-G236 VanDerWaalsContact CE-O 3.29Å; M234-G236 WeakPolarHBondContact CE-O 3.45Å; M234-P238 HydrophobicContact CE-CB 3.58Å; M234-P238 HydrophobicContact CE-CG 3.74Å; M234-P238 HydrophobicContact SD-CB 4.14Å; M234-P238 HydrophobicContact SD-CG 3.86Å; M234-I244 HydrophobicContact SD-CD1 4.08Å
235D74.5Confident90.3Very high138 Ų13874.3 Ų74.374%0.73841%0.41SS*.EExtended strand (participates in β ladder)trans-109.3116.5157.8-84.3-37.9000108H204H204-D235 IonicContact ND1-OD1 2.84Å
236G73.4Confident90.3Very high32 Ų3270 Ų7033%0.3339%0.386SS..SBendtrans126.9175.7175.900000115.4I202 K203 M234 P238I202-G236 CarbonylContact O-C 3.35Å; K203-G236 PolarHBondContact O-N 2.81Å; M234-G236 VanDerWaalsContact CE-O 3.29Å; M234-G236 WeakPolarHBondContact CE-O 3.45Å; G236-P238 WeakPolarHBondContact O-CD 3.3Å
237A78.2Confident90.3Very high64 Ų6473.8 Ų73.853%0.52939%0.394SS..  trans-92.4107.5-171.900000111.7
238P88.3Confident90.2Very high6 Ų671.1 Ų71.14%0.03938%0.377CS..PPolyproline II helixtrans-70.4154.8175.926.8-24.9000110.4F195 V198 I202 M234 G236 E242F195-P238 HydrophobicContact CD1-CB 3.73Å; F195-P238 HydrophobicContact CD1-CG 3.43Å; F195-P238 VanDerWaalsContact CD1-CG 3.43Å; F195-P238 HydrophobicContact CD2-CB 3.84Å; F195-P238 HydrophobicContact CD2-CG 4.44Å; F195-P238 HydrophobicContact CE1-CB 3.69Å; F195-P238 HydrophobicContact CE1-CG 3.22Å; F195-P238 HydrophobicContact CE2-CB 3.78Å; F195-P238 HydrophobicContact CE2-CG 4.25Å; F195-P238 HydrophobicContact CG-CB 3.81Å; F195-P238 HydrophobicContact CG-CG 4.06Å; F195-P238 HydrophobicContact CZ-CB 3.7Å; F195-P238 HydrophobicContact CZ-CG 3.65Å; V198-P238 HydrophobicContact CG1-CG 4.42Å; V198-P238 HydrophobicContact CG2-CG 4.43Å; I202-P238 HydrophobicContact CD1-CG 3.78Å; M234-P238 HydrophobicContact CE-CB 3.58Å; M234-P238 HydrophobicContact CE-CG 3.74Å; M234-P238 HydrophobicContact SD-CB 4.14Å; M234-P238 HydrophobicContact SD-CG 3.86Å; G236-P238 WeakPolarHBondContact O-CD 3.3Å; P238-E242 WeakPolarHBondContact CA-OE2 2.9Å
239V88.8Confident90.2Very high85 Ų8575.9 Ų75.952%0.51540%0.397SS..PPolyproline II helixtrans-103.2155.5173.9-55.60000112.1G241 E242V239-G241 PolarHBondContact O-N 3.15Å; V239-E242 VanDerWaalsContact CG2-CD 3.48Å; V239-E242 HydrophobicContact CG2-CG 3.63Å; V239-E242 WeakPolarHBondContact CG2-OE1 3.43Å; V239-E242 PolarHBondContact N-OE2 2.89Å; V239-E242 WeakPolarHBondContact O-CB 3.18Å; V239-E242 PolarHBondContact O-N 2.95Å; V239-E242 VanDerWaalsContact O-N 3.12Å
240R90.9Very high90.3Very high192 Ų19275.6 Ų75.673%0.72540%0.395SS*.THydrogen-bonded Turntrans-54.9131.6176.6176174.3-177.1-160.5-2.1110.9F195 L196F195-R240 WeakPolarHBondContact O-CA 3.36Å; L196-R240 WeakPolarHBondContact O-CD 3.41Å; L196-R240 WeakPolarHBondContact O-CG 3.34Å; L196-R240 PolarHBondContact O-NE 2.8Å; L196-R240 VanDerWaalsContact O-NE 3.14Å
241G89.4Confident90.3Very high66 Ų6672.7 Ų72.768%0.6840%0.395SS*.THydrogen-bonded Turntrans91.5-9.1179.900000114.2F195 V239F195-G241 PolarHBondContact O-N 3.34Å; V239-G241 PolarHBondContact O-N 3.15Å
242E92.5Very high90.2Very high90 Ų9072 Ų7242%0.42141%0.414SS..  trans-67.8157171.7-74.2-177.1158.300111.8F195 P238 V239F195-E242 HydrophobicContact CD2-CB 4.03Å; F195-E242 WeakPolarHBondContact CD2-O 3.07Å; F195-E242 PolarHBondContact N-O 3Å; F195-E242 VanDerWaalsContact N-O 3.11Å; P238-E242 WeakPolarHBondContact CA-OE2 2.9Å; V239-E242 VanDerWaalsContact CG2-CD 3.48Å; V239-E242 HydrophobicContact CG2-CG 3.63Å; V239-E242 WeakPolarHBondContact CG2-OE1 3.43Å; V239-E242 PolarHBondContact N-OE2 2.89Å; V239-E242 WeakPolarHBondContact O-CB 3.18Å; V239-E242 PolarHBondContact O-N 2.95Å; V239-E242 VanDerWaalsContact O-N 3.12Å
243S93.9Very high90.2Very high48 Ų4869.4 Ų69.434%0.33640%0.399SS..EExtended strand (participates in β ladder)trans-147.9142.4173.264.30000112.2K192 I193K192-S243 WeakPolarHBondContact CE-OG 3.39Å; K192-S243 PolarHBondContact NZ-OG 2.97Å; I193-S243 CarbonylContact O-C 3.58Å; I193-S243 WeakPolarHBondContact O-CA 3.16Å; I193-S243 VanDerWaalsContact O-CB 3.23Å; I193-S243 WeakPolarHBondContact O-CB 3.23Å
244I94.6Very high90.4Very high43 Ų4372.5 Ų72.522%0.22142%0.416CS..EExtended strand (participates in β ladder)trans-118.3119.3-177.1-59172.4000108.7K192 I193 F195 M205 I233 M234 I246K192-I244 WeakPolarHBondContact CA-O 3.06Å; I193-I244 PolarHBondContact N-O 2.81Å; I193-I244 PolarHBondContact O-N 2.88Å; F195-I244 HydrophobicContact CE2-CD1 3.75Å; F195-I244 HydrophobicContact CE2-CG1 4.03Å; F195-I244 HydrophobicContact CZ-CD1 4.03Å; M205-I244 HydrophobicContact CE-CD1 4.31Å; I233-I244 HydrophobicContact CG2-CB 4.49Å; I233-I244 HydrophobicContact CG2-CD1 3.85Å; I233-I244 HydrophobicContact CG2-CG2 3.89Å; M234-I244 HydrophobicContact SD-CD1 4.08Å; I244-I246 HydrophobicContact CG2-CD1 4.11Å
245P96.3Very high91Very high98 Ų9871.4 Ų71.464%0.63641%0.411SS*.EExtended strand (participates in β ladder)trans-73.8138.1174.130.7-33.1000110.7
246I96.2Very high92.1Very high1 Ų166 Ų661%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-117.5133.6-178.3-57.5-60.2000109.8F176 V190 G191 I193 I207 Y231 I233 I244 L248F176-I246 HydrophobicContact CE2-CB 4.33Å; F176-I246 HydrophobicContact CE2-CG1 4.22Å; V190-I246 WeakPolarHBondContact CA-O 3.42Å; G191-I246 PolarHBondContact N-O 2.5Å; G191-I246 PolarHBondContact O-N 2.97Å; I193-I246 HydrophobicContact CD1-CD1 4.05Å; I193-I246 HydrophobicContact CD1-CG1 4.1Å; I193-I246 HydrophobicContact CG1-CD1 4.47Å; I193-I246 HydrophobicContact CG1-CG1 4.05Å; I207-I246 HydrophobicContact CD1-CG1 4.3Å; I207-I246 HydrophobicContact CD1-CG2 4.21Å; Y231-I246 HydrophobicContact CE1-CD1 4.13Å; I233-I246 HydrophobicContact CD1-CD1 4.24Å; I233-I246 HydrophobicContact CG1-CD1 4.01Å; I233-I246 HydrophobicContact CG2-CD1 4.16Å; I244-I246 HydrophobicContact CG2-CD1 4.11Å; I246-L248 HydrophobicContact CG2-CD1 4.25Å; I246-L248 HydrophobicContact CG2-CD2 3.99Å; I246-L248 HydrophobicContact CG2-CG 3.78Å
247R95.9Very high93.2Very high169 Ų16965.1 Ų65.164%0.63837%0.371SS*.EExtended strand (participates in β ladder)trans-138102.2172.2-70.2-175.4-179169.40.8110.1V188 I189 F249V188-R247 HydrophobicContact CG1-CB 4.33Å; I189-R247 WeakPolarHBondContact O-CA 3.32Å; R247-F249 HydrophobicContact CB-CE2 4.37Å
248L95.4Very high94.1Very high6 Ų663.1 Ų63.13%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-103.8116.1178.8-49176.1000109.9V188 I189 I207 Y231 I246V188-L248 CarbonylContact C-O 3.59Å; V188-L248 WeakPolarHBondContact CA-O 3.31Å; V188-L248 WeakPolarHBondContact CG1-O 3.21Å; I189-L248 HydrophobicContact CB-CB 4.13Å; I189-L248 PolarHBondContact N-O 2.89Å; I189-L248 PolarHBondContact O-N 3.37Å; I207-L248 HydrophobicContact CG2-CD1 3.89Å; Y231-L248 HydrophobicContact CD1-CD2 3.62Å; Y231-L248 HydrophobicContact CD2-CD2 3.21Å; Y231-L248 HydrophobicContact CE1-CD2 4.07Å; Y231-L248 HydrophobicContact CE2-CD2 3.68Å; Y231-L248 HydrophobicContact CG-CD2 3.16Å; I246-L248 HydrophobicContact CG2-CD1 4.25Å; I246-L248 HydrophobicContact CG2-CD2 3.99Å; I246-L248 HydrophobicContact CG2-CG 3.78Å
249F96.5Very high94.6Very high135 Ų13563.3 Ų63.359%0.59235%0.353SS*.EExtended strand (participates in β ladder)trans-86.5113.2-179.7-67.4-94.6000110.6V188 R247 A251 Y253V188-F249 HydrophobicContact CG1-CD1 4.3Å; V188-F249 HydrophobicContact CG1-CE1 4.34Å; V188-F249 HydrophobicContact CG1-CG 4.46Å; V188-F249 HydrophobicContact CG2-CD1 3.45Å; V188-F249 VanDerWaalsContact CG2-CD1 3.45Å; V188-F249 HydrophobicContact CG2-CE1 3.7Å; V188-F249 HydrophobicContact CG2-CG 4.22Å; R247-F249 HydrophobicContact CB-CE2 4.37Å; F249-A251 VanDerWaalsContact C-N 3.33Å; F249-A251 PolarHBondContact O-N 2.81Å; F249-Y253 WeakPolarHBondContact O-CE2 3.43Å
250L96.8Very high94.9Very high1 Ų164.6 Ų64.61%0.00535%0.348CS..G310 helixtrans-73.6-25.5-176.2-61.8-178000113.3Y183 L185 D187 I189 I209 G252 Y253 L255 L292Y183-L250 HydrophobicContact CG-CD1 4.2Å; L185-L250 CarbonylContact O-C 3.55Å; D187-L250 HydrophobicContact CB-CD1 4.31Å; D187-L250 VanDerWaalsContact O-CB 3.29Å; D187-L250 WeakPolarHBondContact O-CB 3.21Å; D187-L250 WeakPolarHBondContact O-CG 3.38Å; D187-L250 PolarHBondContact O-N 2.89Å; I189-L250 HydrophobicContact CD1-CD2 3.92Å; I189-L250 HydrophobicContact CG1-CD1 4.29Å; I189-L250 HydrophobicContact CG1-CD2 4.15Å; I189-L250 HydrophobicContact CG1-CG 4.29Å; I209-L250 HydrophobicContact CD1-CD2 3.61Å; L250-G252 PolarHBondContact O-N 3.31Å; L250-G252 VanDerWaalsContact O-N 3.08Å; L250-Y253 PolarHBondContact O-N 2.97Å; L250-Y253 VanDerWaalsContact O-N 3.08Å; L250-L255 HydrophobicContact CB-CD1 3.8Å; L250-L255 HydrophobicContact CD2-CD1 4.03Å; L250-L255 HydrophobicContact CG-CD1 4.36Å; L250-L292 HydrophobicContact CD1-CD2 4.07Å
251A94.9Very high95.2Very high67 Ų6761 Ų6155%0.55434%0.343SS*.G310 helixtrans-62.3-18.8-175.200000114.7K186 F249 Y253K186-A251 HydrophobicContact CB-CB 4.07Å; K186-A251 HydrophobicContact CG-CB 4.18Å; F249-A251 VanDerWaalsContact C-N 3.33Å; F249-A251 PolarHBondContact O-N 2.81Å; A251-Y253 VanDerWaalsContact C-N 3.35Å
252G92.3Very high95.5Very high72 Ų7258.7 Ų58.774%0.74232%0.315SS*.G310 helixtrans-83.3-8.1177.900000114.5L250L250-G252 PolarHBondContact O-N 3.31Å; L250-G252 VanDerWaalsContact O-N 3.08Å
253Y94.4Very high95.7Very high80 Ų8057.5 Ų57.531%0.31431%0.312SS..SBendtrans-110.4150-175.4-57.3-68.2000111.9I209 I228 A229 F249 L250 A251 L255I209-Y253 HydrophobicContact CD1-CD2 4.42Å; I209-Y253 HydrophobicContact CD1-CE2 4.45Å; I228-Y253 HydrophobicContact CG2-CD1 4.31Å; I228-Y253 HydrophobicContact CG2-CG 4.24Å; A229-Y253 HydrophobicContact CB-CD1 3.86Å; A229-Y253 HydrophobicContact CB-CD2 4.27Å; A229-Y253 HydrophobicContact CB-CE1 3.36Å; A229-Y253 HydrophobicContact CB-CE2 3.81Å; A229-Y253 HydrophobicContact CB-CG 4.29Å; F249-Y253 WeakPolarHBondContact O-CE2 3.43Å; L250-Y253 PolarHBondContact O-N 2.97Å; L250-Y253 VanDerWaalsContact O-N 3.08Å; A251-Y253 VanDerWaalsContact C-N 3.35Å; Y253-L255 PolarHBondContact O-N 2.65Å
254D91.7Very high95.7Very high95 Ų9563.4 Ų63.451%0.50833%0.331SS..  trans-81.585.2177-156.3-4.4000110K34K34-D254 VanDerWaalsContact CE-OD2 3.25Å; K34-D254 WeakPolarHBondContact CE-OD2 3.45Å; K34-D254 IonicContact NZ-OD1 3.93Å; K34-D254 IonicContact NZ-OD2 3Å; K34-D254 PolarHBondContact NZ-OD2 3.05Å
255L96Very high95.7Very high12 Ų1263.3 Ų63.36%0.06333%0.329CS..  trans-108.1143.3-174.1-61.9168.9000111.5L185 I209 I228 L250 Y253 Y270 L292L185-L255 HydrophobicContact CD2-CB 4.06Å; I209-L255 HydrophobicContact CG2-CD2 4.5Å; I228-L255 HydrophobicContact CG2-CD2 3.83Å; L250-L255 HydrophobicContact CB-CD1 3.8Å; L250-L255 HydrophobicContact CD2-CD1 4.03Å; L250-L255 HydrophobicContact CG-CD1 4.36Å; Y253-L255 PolarHBondContact O-N 2.65Å; L255-Y270 HydrophobicContact CD2-CD1 4.12Å; L255-Y270 HydrophobicContact CD2-CE1 3.58Å; L255-L292 HydrophobicContact CB-CD1 4.1Å; L255-L292 HydrophobicContact CD1-CD1 4.04Å; L255-L292 HydrophobicContact CD2-CD1 3.87Å; L255-L292 HydrophobicContact CG-CD1 4.23Å
256T96.9Very high95.8Very high25 Ų2558.9 Ų58.915%0.15330%0.3CS..  trans-109.3162.2167.767.50000109.5Y119 L185 Y270Y119-T256 HydrophobicContact CD2-CG2 4.2Å; Y119-T256 HydrophobicContact CE2-CG2 4.31Å; L185-T256 WeakPolarHBondContact CD2-O 3Å; T256-Y270 PolarHBondContact N-OH 3.48Å; T256-Y270 WeakPolarHBondContact O-CE2 3.49Å; T256-Y270 PolarHBondContact O-OH 2.8Å; T256-Y270 PolarHBondContact OG1-OH 2.94Å
257P97.4Very high95.9Very high13 Ų1359.3 Ų59.38%0.08430%0.303CS..  trans-57.7155.2167.9-25.638000111.3E117 L185 M259 L292 R294E117-P257 WeakPolarHBondContact OE1-CD 3.48Å; E117-P257 WeakPolarHBondContact OE1-CG 3.32Å; L185-P257 HydrophobicContact CD1-CG 4.27Å; P257-M259 PolarHBondContact O-N 2.79Å; P257-L292 CarbonylContact C-O 3.48Å; P257-L292 WeakPolarHBondContact CA-O 3.31Å; P257-R294 HydrophobicContact CG-CB 3.9Å
258T97.8Very high96Very high21 Ų2151.2 Ų51.213%0.12927%0.273CS..  trans-64.9124.6166.9-63.20000108.8R260 V268 R269 T291 L292T258-R260 HydrophobicContact CG2-CG 4.02Å; T258-V268 CarbonylContact C-O 3.35Å; T258-V268 WeakPolarHBondContact CA-O 3.49Å; T258-R269 HydrophobicContact CG2-CG 4.44Å; T258-T291 HydrophobicContact CG2-CG2 4.44Å; T258-T291 WeakPolarHBondContact OG1-CA 3.49Å; T258-L292 PolarHBondContact N-O 2.86Å; T258-L292 PolarHBondContact OG1-N 3.12Å
259M97.9Very high96.1Very high11 Ų1155 Ų555%0.05429%0.287CS..EExtended strand (participates in β ladder)trans-111.7116.7179.7-67.7172.7-174.500107.8E117 Y119 P257 I262 F266 S267 V268E117-M259 HydrophobicContact CB-CE 4.03Å; E117-M259 HydrophobicContact CG-CE 3.98Å; Y119-M259 HydrophobicContact CD2-CE 4.01Å; Y119-M259 HydrophobicContact CD2-SD 3.98Å; Y119-M259 HydrophobicContact CG-CE 4.23Å; Y119-M259 HydrophobicContact CG-SD 3.92Å; P257-M259 PolarHBondContact O-N 2.79Å; M259-I262 HydrophobicContact CB-CD1 3.91Å; M259-I262 HydrophobicContact CB-CG1 3.65Å; M259-I262 HydrophobicContact CG-CD1 4.4Å; M259-I262 HydrophobicContact CG-CG1 4.35Å; M259-F266 HydrophobicContact SD-CE2 3.92Å; M259-F266 HydrophobicContact SD-CZ 4.28Å; M259-S267 CarbonylContact O-C 3.52Å; M259-S267 VanDerWaalsContact O-CA 3.26Å; M259-S267 WeakPolarHBondContact O-CA 3.39Å; M259-V268 HydrophobicContact CB-CB 4.03Å; M259-V268 HydrophobicContact CB-CG2 4.27Å; M259-V268 PolarHBondContact N-O 3.37Å; M259-V268 PolarHBondContact O-N 2.9Å; M259-V268 HydrophobicContact SD-CB 4.47Å; M259-V268 HydrophobicContact SD-CG2 4.1Å
260R96.1Very high96.2Very high111 Ų11148.6 Ų48.642%0.41926%0.258SS..EExtended strand (participates in β ladder)trans-109.4121.4-177.5-60.7-175.8-174.3-75.2-6.4109.7T258 I262 E289 T291T258-R260 HydrophobicContact CG2-CG 4.02Å; R260-I262 VanDerWaalsContact C-N 3.26Å; R260-I262 PolarHBondContact O-N 2.58Å; R260-I262 VanDerWaalsContact O-N 3.16Å; R260-E289 IonicContact CZ-OE1 2.73Å; R260-E289 IonicContact NH1-OE1 2.8Å; R260-E289 PolarHBondContact NH1-OE1 2.98Å; R260-E289 IonicContact NH1-OE2 2.87Å; R260-E289 IonicContact NH2-OE1 3.84Å; R260-E289 PolarHBondContact NH2-OE1 2.78Å; R260-E289 IonicContact NH2-OE2 3.27Å; R260-T291 PolarHBondContact NH2-OG1 3.11Å
261D95.4Very high96.3Very high116 Ų11649.2 Ų49.262%0.6226%0.261SS*.EExtended strand (participates in β ladder)trans46.347.2172.2-57.4-41.8000113.5N263 K264 F266 S267D261-N263 PolarHBondContact O-N 3.32Å; D261-K264 PolarHBondContact O-N 3.43Å; D261-F266 CarbonylContact C-O 3.59Å; D261-S267 PolarHBondContact N-OG 3.2Å; D261-S267 PolarHBondContact OD1-OG 2.81Å
262I97.3Very high96.4Very high18 Ų1846 Ų469%0.09223%0.234CC..EExtended strand (participates in β ladder)trans-60.7112.5-176.2-58.6-57.8000109.4I74 Y116 L126 M259 R260 K264 K265 F266I74-I262 HydrophobicContact CD1-CG2 4.17Å; Y116-I262 HydrophobicContact CD1-CD1 3.96Å; Y116-I262 HydrophobicContact CD1-CG2 3.77Å; Y116-I262 HydrophobicContact CD2-CG2 3.97Å; Y116-I262 HydrophobicContact CE1-CD1 4.41Å; Y116-I262 HydrophobicContact CE1-CG2 4.09Å; Y116-I262 HydrophobicContact CE2-CG2 4.29Å; Y116-I262 HydrophobicContact CG-CG2 3.7Å; L126-I262 HydrophobicContact CD1-CG2 3.59Å; M259-I262 HydrophobicContact CB-CD1 3.91Å; M259-I262 HydrophobicContact CB-CG1 3.65Å; M259-I262 HydrophobicContact CG-CD1 4.4Å; M259-I262 HydrophobicContact CG-CG1 4.35Å; R260-I262 VanDerWaalsContact C-N 3.26Å; R260-I262 PolarHBondContact O-N 2.58Å; R260-I262 VanDerWaalsContact O-N 3.16Å; I262-K264 PolarHBondContact O-N 2.89Å; I262-K265 PolarHBondContact O-N 3.43Å; I262-F266 HydrophobicContact CB-CD1 3.96Å; I262-F266 HydrophobicContact CB-CE1 3.59Å; I262-F266 HydrophobicContact CB-CE2 4.44Å; I262-F266 HydrophobicContact CB-CZ 3.85Å; I262-F266 HydrophobicContact CG1-CE1 4.22Å; I262-F266 HydrophobicContact CG1-CE2 4.23Å; I262-F266 HydrophobicContact CG1-CZ 3.95Å; I262-F266 HydrophobicContact CG2-CD1 4.29Å; I262-F266 HydrophobicContact CG2-CE1 3.53Å; I262-F266 HydrophobicContact CG2-CZ 3.88Å; I262-F266 PolarHBondContact N-O 2.82Å
263N95.1Very high96.6Very high65 Ų6543.2 Ų43.235%0.34820%0.202SC..THydrogen-bonded Turntrans46.929.8-171.5-158.323.2000113.7I74 Y116 D261 K265I74-N263 HydrophobicContact CD1-CB 3.74Å; Y116-N263 HydrophobicContact CE2-CB 4.12Å; D261-N263 PolarHBondContact O-N 3.32Å; N263-K265 HydrophobicContact CB-CG 4.49Å; N263-K265 PolarHBondContact O-N 3.21Å; N263-K265 VanDerWaalsContact O-N 3.16Å
264K94.6Very high96.7Very high173 Ų17339.4 Ų39.475%0.75219%0.188SC*.THydrogen-bonded Turntrans55.223.9-171.6-53.3177.3-179.7176.40114.3T217 D261 I262T217-K264 WeakPolarHBondContact CG2-O 3.23Å; D261-K264 PolarHBondContact O-N 3.43Å; I262-K264 PolarHBondContact O-N 2.89Å
265K95.3Very high96.8Very high40 Ų4035 Ų3517%0.17416%0.164CC..THydrogen-bonded Turntrans-106.2-37.7-177.9-66.4-58.7-174.2161.90113.6I74 L76 H84 G216 T217 I262 N263I74-K265 HydrophobicContact CD1-CB 4.16Å; I74-K265 HydrophobicContact CD1-CG 4.17Å; I74-K265 HydrophobicContact CG2-CB 4.34Å; L76-K265 HydrophobicContact CD1-CD 4.23Å; H84-K265 PolarHBondContact CD2-NZ 2.87Å; H84-K265 PolarHBondContact CE1-NZ 2.9Å; H84-K265 PolarHBondContact NE2-NZ 2.93Å; G216-K265 PolarHBondContact N-O 3.01Å; T217-K265 HydrophobicContact CG2-CD 4.28Å; I262-K265 PolarHBondContact O-N 3.43Å; N263-K265 HydrophobicContact CB-CG 4.49Å; N263-K265 PolarHBondContact O-N 3.21Å; N263-K265 VanDerWaalsContact O-N 3.16Å
266F97.6Very high96.6Very high5 Ų534.4 Ų34.42%0.02216%0.161CC..EExtended strand (participates in β ladder)trans-154164.1179.875.8-80.2000112.6I74 Y119 V124 L126 T214 T215 M259 D261 I262 V268I74-F266 HydrophobicContact CD1-CD1 4.4Å; I74-F266 HydrophobicContact CD1-CE1 4.09Å; I74-F266 HydrophobicContact CG1-CE1 4.41Å; I74-F266 HydrophobicContact CG2-CD1 4.3Å; I74-F266 HydrophobicContact CG2-CE1 4.37Å; Y119-F266 HydrophobicContact CD1-CD2 4.36Å; Y119-F266 AromaticContact CD1-CE2 3.63Å; Y119-F266 HydrophobicContact CD1-CE2 3.63Å; Y119-F266 HydrophobicContact CD1-CZ 4.14Å; Y119-F266 HydrophobicContact CE1-CD2 4.46Å; Y119-F266 HydrophobicContact CE1-CE2 4.11Å; Y119-F266 HydrophobicContact CG-CE2 4.23Å; V124-F266 HydrophobicContact CB-CB 4.48Å; V124-F266 HydrophobicContact CB-CG 4.37Å; V124-F266 HydrophobicContact CG1-CB 4.03Å; V124-F266 HydrophobicContact CG1-CD1 4.31Å; V124-F266 HydrophobicContact CG1-CD2 3.7Å; V124-F266 HydrophobicContact CG1-CE2 4.21Å; V124-F266 HydrophobicContact CG1-CG 3.76Å; V124-F266 HydrophobicContact CG2-CB 4.31Å; V124-F266 HydrophobicContact CG2-CD1 3.67Å; V124-F266 HydrophobicContact CG2-CE1 4.06Å; V124-F266 HydrophobicContact CG2-CG 3.93Å; L126-F266 HydrophobicContact CB-CE1 4.31Å; L126-F266 HydrophobicContact CB-CZ 4.16Å; L126-F266 HydrophobicContact CD1-CE1 3.99Å; L126-F266 HydrophobicContact CD1-CZ 4.02Å; T214-F266 CarbonylContact O-C 3.57Å; T214-F266 WeakPolarHBondContact O-CA 3.47Å; T214-F266 VanDerWaalsContact O-CB 3.29Å; T214-F266 WeakPolarHBondContact O-CB 3.49Å; T215-F266 HydrophobicContact CG2-CB 4.35Å; M259-F266 HydrophobicContact SD-CE2 3.92Å; M259-F266 HydrophobicContact SD-CZ 4.28Å; D261-F266 CarbonylContact C-O 3.59Å; I262-F266 HydrophobicContact CB-CD1 3.96Å; I262-F266 HydrophobicContact CB-CE1 3.59Å; I262-F266 HydrophobicContact CB-CE2 4.44Å; I262-F266 HydrophobicContact CB-CZ 3.85Å; I262-F266 HydrophobicContact CG1-CE1 4.22Å; I262-F266 HydrophobicContact CG1-CE2 4.23Å; I262-F266 HydrophobicContact CG1-CZ 3.95Å; I262-F266 HydrophobicContact CG2-CD1 4.29Å; I262-F266 HydrophobicContact CG2-CE1 3.53Å; I262-F266 HydrophobicContact CG2-CZ 3.88Å; I262-F266 PolarHBondContact N-O 2.82Å; F266-V268 HydrophobicContact CD2-CG2 3.99Å; F266-V268 HydrophobicContact CE2-CG2 3.91Å
267S98.2Very high96.4Very high10 Ų1034.6 Ų34.67%0.0716%0.161CC..EExtended strand (participates in β ladder)trans-136.2144.7173.6-80.90000110.1E213 T214 M259 D261E213-S267 WeakPolarHBondContact CA-O 3.41Å; T214-S267 PolarHBondContact N-O 3.28Å; T214-S267 PolarHBondContact O-N 3Å; M259-S267 CarbonylContact O-C 3.52Å; M259-S267 VanDerWaalsContact O-CA 3.26Å; M259-S267 WeakPolarHBondContact O-CA 3.39Å; D261-S267 PolarHBondContact N-OG 3.2Å; D261-S267 PolarHBondContact OD1-OG 2.81Å
268V98.5Very high96.2Very high0 Ų034.1 Ų34.10%016%0.157CC..EExtended strand (participates in β ladder)trans-124.4111.1170.9-175.20000107.8Y119 K211 R212 T258 M259 F266 Y270Y119-V268 HydrophobicContact CD1-CG2 4.27Å; Y119-V268 HydrophobicContact CD2-CG2 4.32Å; Y119-V268 HydrophobicContact CE1-CG2 3.71Å; Y119-V268 HydrophobicContact CE2-CG1 4.3Å; Y119-V268 HydrophobicContact CE2-CG2 3.77Å; Y119-V268 VanDerWaalsContact CZ-CG2 3.45Å; K211-V268 HydrophobicContact CD-CG1 4.31Å; K211-V268 HydrophobicContact CG-CG1 3.96Å; R212-V268 WeakPolarHBondContact O-CA 3.44Å; T258-V268 CarbonylContact C-O 3.35Å; T258-V268 WeakPolarHBondContact CA-O 3.49Å; M259-V268 HydrophobicContact CB-CB 4.03Å; M259-V268 HydrophobicContact CB-CG2 4.27Å; M259-V268 PolarHBondContact N-O 3.37Å; M259-V268 PolarHBondContact O-N 2.9Å; M259-V268 HydrophobicContact SD-CB 4.47Å; M259-V268 HydrophobicContact SD-CG2 4.1Å; F266-V268 HydrophobicContact CD2-CG2 3.99Å; F266-V268 HydrophobicContact CE2-CG2 3.91Å; V268-Y270 HydrophobicContact CG1-CE2 4Å
269R98.4Very high95.9Very high86 Ų8638.8 Ų38.833%0.32518%0.178SC..EExtended strand (participates in β ladder)trans-121.5150.7-175.6-65.6173.573-174.60.8110.5K211 R212 T258 Y271 E289K211-R269 CarbonylContact C-O 3.5Å; K211-R269 WeakPolarHBondContact CA-O 3.32Å; R212-R269 PolarHBondContact N-O 2.79Å; R212-R269 PolarHBondContact O-N 3.08Å; T258-R269 HydrophobicContact CG2-CG 4.44Å; R269-Y271 HydrophobicContact CB-CE2 3.66Å; R269-Y271 PolarHBondContact NE-OH 2.92Å; R269-Y271 PolarHBondContact NH1-OH 2.93Å; R269-E289 IonicContact CZ-OE1 3Å; R269-E289 IonicContact CZ-OE2 3.86Å; R269-E289 VanDerWaalsContact NE-CD 3.31Å; R269-E289 IonicContact NE-OE1 2.8Å; R269-E289 PolarHBondContact NE-OE1 2.92Å; R269-E289 IonicContact NE-OE2 3.18Å; R269-E289 PolarHBondContact NE-OE2 3.36Å; R269-E289 VanDerWaalsContact NH2-CD 3.29Å; R269-E289 IonicContact NH2-OE1 3.87Å; R269-E289 IonicContact NH2-OE2 3.96Å; R269-E289 PolarHBondContact NH2-OE2 2.83Å
270Y98.4Very high95.6Very high0 Ų044.6 Ų44.60%021%0.205CC..EExtended strand (participates in β ladder)trans-119.5138.6-177.9-70.3-89.9000110.1I209 I210 K211 I228 L255 T256 V268 E289 I290 L292I209-Y270 HydrophobicContact CG2-CD1 4.24Å; I210-Y270 CarbonylContact O-C 3.58Å; I210-Y270 WeakPolarHBondContact O-CA 3.49Å; K211-Y270 HydrophobicContact CB-CD1 4.09Å; K211-Y270 HydrophobicContact CB-CE1 3.75Å; K211-Y270 HydrophobicContact CD-CE1 4.3Å; K211-Y270 HydrophobicContact CG-CE1 3.89Å; I228-Y270 HydrophobicContact CG1-CE1 4.47Å; L255-Y270 HydrophobicContact CD2-CD1 4.12Å; L255-Y270 HydrophobicContact CD2-CE1 3.58Å; T256-Y270 PolarHBondContact N-OH 3.48Å; T256-Y270 WeakPolarHBondContact O-CE2 3.49Å; T256-Y270 PolarHBondContact O-OH 2.8Å; T256-Y270 PolarHBondContact OG1-OH 2.94Å; V268-Y270 HydrophobicContact CG1-CE2 4Å; Y270-E289 WeakPolarHBondContact O-CA 3.07Å; Y270-E289 WeakPolarHBondContact O-CG 3.19Å; Y270-I290 PolarHBondContact O-N 2.91Å; Y270-I290 VanDerWaalsContact O-O 3.08Å; Y270-L292 HydrophobicContact CD1-CD1 3.61Å; Y270-L292 HydrophobicContact CD1-CG 4.47Å; Y270-L292 HydrophobicContact CD2-CB 4.16Å; Y270-L292 HydrophobicContact CD2-CD1 3.61Å; Y270-L292 HydrophobicContact CD2-CG 3.84Å; Y270-L292 HydrophobicContact CE1-CD1 3.85Å; Y270-L292 HydrophobicContact CE2-CB 4.48Å; Y270-L292 HydrophobicContact CE2-CD1 3.86Å; Y270-L292 HydrophobicContact CE2-CG 4.43Å; Y270-L292 HydrophobicContact CG-CD1 3.48Å; Y270-L292 VanDerWaalsContact CG-CD1 3.48Å; Y270-L292 HydrophobicContact CG-CG 3.87Å
271Y98Very high95.5Very high14 Ų1444.7 Ų44.76%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-130.7137.8-177.1-61.3-94.8000109.7I209 I210 R212 R269 Q288 E289I209-Y271 WeakPolarHBondContact CA-O 3.29Å; I210-Y271 PolarHBondContact N-O 2.9Å; I210-Y271 PolarHBondContact O-N 2.81Å; R212-Y271 HydrophobicContact CB-CD2 4.3Å; R212-Y271 HydrophobicContact CB-CE2 3.84Å; R269-Y271 HydrophobicContact CB-CE2 3.66Å; R269-Y271 PolarHBondContact NE-OH 2.92Å; R269-Y271 PolarHBondContact NH1-OH 2.93Å; Y271-Q288 WeakPolarHBondContact CA-O 3.47Å; Y271-E289 HydrophobicContact CD1-CB 3.89Å; Y271-E289 HydrophobicContact CD1-CG 4.45Å; Y271-E289 HydrophobicContact CE1-CB 3.73Å; Y271-E289 HydrophobicContact CE1-CG 4.17Å
272L97.5Very high95.3Very high0 Ų043.8 Ų43.80%020%0.198CC..EExtended strand (participates in β ladder)trans-83.9124158.1-67178.8000107.7F176 Y178 I189 I207 D208 I209 Q287 Q288 I290F176-L272 HydrophobicContact CE1-CD1 4.13Å; Y178-L272 HydrophobicContact CD1-CD1 4.12Å; Y178-L272 HydrophobicContact CD2-CD1 4.33Å; Y178-L272 HydrophobicContact CE1-CD1 3.98Å; Y178-L272 HydrophobicContact CE2-CD1 4.16Å; Y178-L272 HydrophobicContact CG-CD1 4.27Å; I189-L272 HydrophobicContact CD1-CD1 4.15Å; I189-L272 HydrophobicContact CD1-CD2 3.76Å; I189-L272 HydrophobicContact CD1-CG 4.4Å; I189-L272 HydrophobicContact CG2-CD1 4.22Å; I207-L272 HydrophobicContact CG2-CD2 4.18Å; D208-L272 WeakPolarHBondContact O-CA 3.5Å; I209-L272 HydrophobicContact CG1-CD2 4.01Å; L272-Q287 CarbonylContact O-C 3.58Å; L272-Q287 VanDerWaalsContact O-CA 3.28Å; L272-Q287 WeakPolarHBondContact O-CA 3.35Å; L272-Q288 PolarHBondContact N-O 2.84Å; L272-Q288 PolarHBondContact O-N 2.93Å; L272-I290 HydrophobicContact CD1-CG2 3.79Å; L272-I290 HydrophobicContact CD2-CD1 4.1Å; L272-I290 HydrophobicContact CG-CD1 4.02Å; L272-I290 HydrophobicContact CG-CG1 4.4Å; L272-I290 HydrophobicContact CG-CG2 3.82Å
273N96.9Very high95.1Very high13 Ų1350.9 Ų50.97%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-117.4107.1179.4-178.754.6000108.7I207 D208 I210 V275 K286I207-N273 WeakPolarHBondContact CA-O 3.49Å; D208-N273 HydrophobicContact CB-CB 4.18Å; D208-N273 PolarHBondContact N-O 3.32Å; D208-N273 PolarHBondContact O-N 3.43Å; D208-N273 PolarHBondContact OD2-ND2 2.84Å; I210-N273 HydrophobicContact CD1-CB 3.53Å; I210-N273 HydrophobicContact CG1-CB 4.04Å; N273-V275 WeakPolarHBondContact ND2-CG2 3.39Å; N273-K286 WeakPolarHBondContact CA-O 3.33Å
274L95.2Very high95Very high0 Ų050 Ų500%022%0.216CC..EExtended strand (participates in β ladder)trans-81.9122.2172.8175.964.8000108.1M164 V166 F176 I193 M205 I207 L276 F285 K286M164-L274 HydrophobicContact CE-CB 3.6Å; V166-L274 HydrophobicContact CG2-CD2 3.84Å; V166-L274 HydrophobicContact CG2-CG 4.46Å; F176-L274 HydrophobicContact CB-CD2 4.13Å; I193-L274 HydrophobicContact CD1-CD1 4.49Å; M205-L274 HydrophobicContact CG-CD1 4.14Å; M205-L274 HydrophobicContact SD-CD1 4.24Å; I207-L274 HydrophobicContact CG1-CD1 3.85Å; L274-L276 HydrophobicContact CD2-CD1 4.31Å; L274-L276 HydrophobicContact CG-CD1 4.03Å; L274-F285 WeakPolarHBondContact O-CA 3.29Å; L274-K286 PolarHBondContact N-O 2.97Å; L274-K286 PolarHBondContact O-N 2.74Å
275V94.4Very high94.9Very high1 Ų148.4 Ų48.41%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-118.8133.3-178.3-179.20000109.4M205 E206 N273 I277 F285M205-V275 WeakPolarHBondContact CA-O 3.48Å; E206-V275 HydrophobicContact CG-CB 3.71Å; E206-V275 HydrophobicContact CG-CG1 4.26Å; E206-V275 HydrophobicContact CG-CG2 4.31Å; E206-V275 PolarHBondContact N-O 2.79Å; E206-V275 PolarHBondContact O-N 2.71Å; N273-V275 WeakPolarHBondContact ND2-CG2 3.39Å; V275-I277 HydrophobicContact CG1-CG1 4.44Å; V275-F285 HydrophobicContact CG2-CB 4.42Å
276L92.1Very high94.8Very high1 Ų151.3 Ų51.31%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-128.4139.3173.9-54.2103000109.9V166 I174 I202 M205 L274 R283 Y284V166-L276 HydrophobicContact CB-CD1 4.16Å; V166-L276 HydrophobicContact CG1-CD1 3.97Å; V166-L276 HydrophobicContact CG2-CD1 3.96Å; I174-L276 HydrophobicContact CD1-CD2 3.31Å; I202-L276 HydrophobicContact CD1-CD2 4.12Å; M205-L276 HydrophobicContact CG-CD2 4.14Å; M205-L276 HydrophobicContact CG-CG 4.11Å; M205-L276 HydrophobicContact SD-CD2 3.85Å; M205-L276 HydrophobicContact SD-CG 4.39Å; L274-L276 HydrophobicContact CD2-CD1 4.31Å; L274-L276 HydrophobicContact CG-CD1 4.03Å; L276-R283 WeakPolarHBondContact O-CA 3.41Å; L276-Y284 HydrophobicContact CB-CD2 4.45Å; L276-Y284 PolarHBondContact N-O 2.83Å; L276-Y284 PolarHBondContact O-N 2.8Å
277I92.9Very high94.8Very high29 Ų2954.7 Ų54.715%0.14924%0.237CC..EExtended strand (participates in β ladder)trans-126.2128.5175-46.8-177.6000107.6K203 H204 V275 R282 R283K203-I277 WeakPolarHBondContact CA-O 3.34Å; K203-I277 WeakPolarHBondContact CB-O 3.32Å; K203-I277 PolarHBondContact N-O 2.91Å; H204-I277 HydrophobicContact CB-CB 4.15Å; H204-I277 HydrophobicContact CB-CD1 4.39Å; H204-I277 HydrophobicContact CB-CG1 4.38Å; H204-I277 PolarHBondContact N-O 2.8Å; H204-I277 PolarHBondContact O-N 2.89Å; V275-I277 HydrophobicContact CG1-CG1 4.44Å; I277-R282 WeakPolarHBondContact CA-O 3.34Å; I277-R283 HydrophobicContact CG1-CG 4.28Å
278D91.8Very high94.7Very high3 Ų357.8 Ų57.82%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-92.1175.4175.667.719.4000112.9I200 K201 E280 E281 R282 Y284I200-D278 HydrophobicContact CG2-CB 3.59Å; K201-D278 WeakPolarHBondContact O-CA 3.37Å; K201-D278 VanDerWaalsContact O-CB 3.31Å; K201-D278 WeakPolarHBondContact O-CB 3.4Å; D278-E280 PolarHBondContact O-N 2.85Å; D278-E280 VanDerWaalsContact O-N 3.17Å; D278-E280 WeakPolarHBondContact OD1-CA 3.31Å; D278-E280 WeakPolarHBondContact OD1-CB 3.39Å; D278-E280 PolarHBondContact OD1-N 2.82Å; D278-E281 PolarHBondContact O-N 2.81Å; D278-E281 PolarHBondContact OD1-N 2.83Å; D278-R282 PolarHBondContact N-O 2.88Å; D278-R282 VanDerWaalsContact N-O 3.16Å; D278-R282 WeakPolarHBondContact OD1-CB 3.19Å; D278-R282 PolarHBondContact OD1-N 2.83Å; D278-R282 IonicContact OD1-NE 3.93Å; D278-R282 IonicContact OD2-CZ 2.97Å; D278-R282 IonicContact OD2-NE 2.98Å; D278-R282 PolarHBondContact OD2-NE 2.77Å; D278-R282 IonicContact OD2-NH2 2.78Å; D278-R282 PolarHBondContact OD2-NH2 2.94Å; D278-Y284 HydrophobicContact CB-CE2 4.36Å; D278-Y284 PolarHBondContact OD2-OH 2.92Å; D278-Y284 VanDerWaalsContact OD2-OH 3.05Å
279E91.7Very high94.6Very high119 Ų11959.7 Ų59.756%0.55626%0.259SS*.THydrogen-bonded Turntrans-62-17.4177.9-72.7-172.217100113.8K201 E281K201-E279 HydrophobicContact CB-CG 3.86Å; K201-E279 HydrophobicContact CD-CG 4.46Å; K201-E279 WeakPolarHBondContact CD-OE1 3.43Å; K201-E279 WeakPolarHBondContact CD-OE2 3.08Å; K201-E279 IonicContact NZ-OE1 3.9Å; K201-E279 IonicContact NZ-OE2 3.47Å; K201-E279 PolarHBondContact NZ-OE2 2.96Å; K201-E279 PolarHBondContact O-N 2.89Å; K201-E279 VanDerWaalsContact O-N 3.15Å; E279-E281 VanDerWaalsContact C-N 3.32Å
280E93Very high94.4Very high132 Ų13255.6 Ų55.662%0.61724%0.244SC*.THydrogen-bonded Turntrans-92.610.8176.6-66.4173-145.800112.2D278 R282D278-E280 PolarHBondContact O-N 2.85Å; D278-E280 VanDerWaalsContact O-N 3.17Å; D278-E280 WeakPolarHBondContact OD1-CA 3.31Å; D278-E280 WeakPolarHBondContact OD1-CB 3.39Å; D278-E280 PolarHBondContact OD1-N 2.82Å; E280-R282 HydrophobicContact CB-CG 4.25Å; E280-R282 PolarHBondContact O-N 2.98Å; E280-R282 IonicContact OE1-CZ 3.56Å; E280-R282 IonicContact OE1-NH1 3.84Å; E280-R282 IonicContact OE1-NH2 3.35Å; E280-R282 PolarHBondContact OE1-NH2 2.85Å; E280-R282 IonicContact OE2-CZ 3.91Å; E280-R282 IonicContact OE2-NE 3.24Å; E280-R282 IonicContact OE2-NH1 2.79Å; E280-R282 PolarHBondContact OE2-NH1 3.32Å; E280-R282 IonicContact OE2-NH2 3.72Å; E280-R282 PolarHBondContact OE2-NH2 3.47Å
281E92.8Very high94.3Very high113 Ų11357.3 Ų57.353%0.52826%0.255SS..  trans61.118.9-175.7-56.1-65152.700114.1K203 D278 E279K203-E281 IonicContact NZ-OE1 2.58Å; K203-E281 PolarHBondContact NZ-OE1 2.91Å; K203-E281 IonicContact NZ-OE2 3.6Å; D278-E281 PolarHBondContact O-N 2.81Å; D278-E281 PolarHBondContact OD1-N 2.83Å; E279-E281 VanDerWaalsContact C-N 3.32Å
282R92.2Very high94.3Very high97 Ų9756.8 Ų56.837%0.36625%0.253SS..  trans-77134.7172.9-57.7-179.7-64.5-142.5-10.3109.3I277 D278 E280 Y284I277-R282 WeakPolarHBondContact CA-O 3.34Å; D278-R282 PolarHBondContact N-O 2.88Å; D278-R282 VanDerWaalsContact N-O 3.16Å; D278-R282 WeakPolarHBondContact OD1-CB 3.19Å; D278-R282 PolarHBondContact OD1-N 2.83Å; D278-R282 IonicContact OD1-NE 3.93Å; D278-R282 IonicContact OD2-CZ 2.97Å; D278-R282 IonicContact OD2-NE 2.98Å; D278-R282 PolarHBondContact OD2-NE 2.77Å; D278-R282 IonicContact OD2-NH2 2.78Å; D278-R282 PolarHBondContact OD2-NH2 2.94Å; E280-R282 HydrophobicContact CB-CG 4.25Å; E280-R282 PolarHBondContact O-N 2.98Å; E280-R282 IonicContact OE1-CZ 3.56Å; E280-R282 IonicContact OE1-NH1 3.84Å; E280-R282 IonicContact OE1-NH2 3.35Å; E280-R282 PolarHBondContact OE1-NH2 2.85Å; E280-R282 IonicContact OE2-CZ 3.91Å; E280-R282 IonicContact OE2-NE 3.24Å; E280-R282 IonicContact OE2-NH1 2.79Å; E280-R282 PolarHBondContact OE2-NH1 3.32Å; E280-R282 IonicContact OE2-NH2 3.72Å; E280-R282 PolarHBondContact OE2-NH2 3.47Å; R282-Y284 HydrophobicContact CB-CE2 4.12Å; R282-Y284 PolarHBondContact NE-OH 2.88Å
283R93Very high94.2Very high167 Ų16757.3 Ų57.363%0.6326%0.255SS*.EExtended strand (participates in β ladder)trans-106.1125-177.2-60.3-17869-167.82.2110.9L276 I277L276-R283 WeakPolarHBondContact O-CA 3.41Å; I277-R283 HydrophobicContact CG1-CG 4.28Å
284Y91.6Very high94.1Very high48 Ų4859.1 Ų59.119%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-113.7134.9172.2-48.1-82000108.3I168 L276 D278 R282I168-Y284 HydrophobicContact CD1-CD1 3.62Å; I168-Y284 HydrophobicContact CD1-CE1 3.19Å; I168-Y284 HydrophobicContact CD1-CE2 4.27Å; I168-Y284 HydrophobicContact CD1-CG 4.3Å; I168-Y284 HydrophobicContact CG1-CD1 4.35Å; I168-Y284 HydrophobicContact CG1-CE1 4.24Å; L276-Y284 HydrophobicContact CB-CD2 4.45Å; L276-Y284 PolarHBondContact N-O 2.83Å; L276-Y284 PolarHBondContact O-N 2.8Å; D278-Y284 HydrophobicContact CB-CE2 4.36Å; D278-Y284 PolarHBondContact OD2-OH 2.92Å; D278-Y284 VanDerWaalsContact OD2-OH 3.05Å; R282-Y284 HydrophobicContact CB-CE2 4.12Å; R282-Y284 PolarHBondContact NE-OH 2.88Å
285F92.7Very high93.9Very high138 Ų13863.1 Ų63.161%0.60528%0.278SS*.EExtended strand (participates in β ladder)trans-143.9146.2178.361.7-84.8000111.6L274 V275L274-F285 WeakPolarHBondContact O-CA 3.29Å; V275-F285 HydrophobicContact CG2-CB 4.42Å
286K94.9Very high93.5Very high102 Ų10264 Ų6444%0.44329%0.287SS..EExtended strand (participates in β ladder)trans-136.3129.6170.8-171.975.8171.5-167.20108.2M164 V166 N273 L274M164-K286 HydrophobicContact CG-CB 4.06Å; M164-K286 HydrophobicContact CG-CG 3.43Å; M164-K286 VanDerWaalsContact CG-CG 3.43Å; M164-K286 HydrophobicContact SD-CB 3.93Å; M164-K286 HydrophobicContact SD-CG 3.6Å; M164-K286 VanDerWaalsContact SD-CG 3.6Å; V166-K286 HydrophobicContact CG2-CB 3.58Å; N273-K286 WeakPolarHBondContact CA-O 3.33Å; L274-K286 PolarHBondContact N-O 2.97Å; L274-K286 PolarHBondContact O-N 2.74Å
287Q95.6Very high92.5Very high75 Ų7568.8 Ų68.835%0.3531%0.313SS..EExtended strand (participates in β ladder)trans-112.1138.7178.864.1-174.2-19.800110.1L272L272-Q287 CarbonylContact O-C 3.58Å; L272-Q287 VanDerWaalsContact O-CA 3.28Å; L272-Q287 WeakPolarHBondContact O-CA 3.35Å
288Q96.2Very high90.5Very high76 Ų7673.5 Ų73.536%0.35534%0.343SS..EExtended strand (participates in β ladder)trans-134.1133.7172.5-172.861.640.600109.3I162 M164 Y178 Y271 L272I162-Q288 HydrophobicContact CG2-CG 4.1Å; M164-Q288 HydrophobicContact SD-CB 3.67Å; Y178-Q288 WeakPolarHBondContact OH-CG 2.97Å; Y271-Q288 WeakPolarHBondContact CA-O 3.47Å; L272-Q288 PolarHBondContact N-O 2.84Å; L272-Q288 PolarHBondContact O-N 2.93Å
289E96.3Very high88.3Confident39 Ų3979.3 Ų79.318%0.18238%0.378CS..EExtended strand (participates in β ladder)trans-70.4136.9179.8-172.4-177.4-167.500111.2R260 R269 Y270 Y271R260-E289 IonicContact CZ-OE1 2.73Å; R260-E289 IonicContact NH1-OE1 2.8Å; R260-E289 PolarHBondContact NH1-OE1 2.98Å; R260-E289 IonicContact NH1-OE2 2.87Å; R260-E289 IonicContact NH2-OE1 3.84Å; R260-E289 PolarHBondContact NH2-OE1 2.78Å; R260-E289 IonicContact NH2-OE2 3.27Å; R269-E289 IonicContact CZ-OE1 3Å; R269-E289 IonicContact CZ-OE2 3.86Å; R269-E289 VanDerWaalsContact NE-CD 3.31Å; R269-E289 IonicContact NE-OE1 2.8Å; R269-E289 PolarHBondContact NE-OE1 2.92Å; R269-E289 IonicContact NE-OE2 3.18Å; R269-E289 PolarHBondContact NE-OE2 3.36Å; R269-E289 VanDerWaalsContact NH2-CD 3.29Å; R269-E289 IonicContact NH2-OE1 3.87Å; R269-E289 IonicContact NH2-OE2 3.96Å; R269-E289 PolarHBondContact NH2-OE2 2.83Å; Y270-E289 WeakPolarHBondContact O-CA 3.07Å; Y270-E289 WeakPolarHBondContact O-CG 3.19Å; Y271-E289 HydrophobicContact CD1-CB 3.89Å; Y271-E289 HydrophobicContact CD1-CG 4.45Å; Y271-E289 HydrophobicContact CE1-CB 3.73Å; Y271-E289 HydrophobicContact CE1-CG 4.17Å
290I96.2Very high85.9Confident0 Ų084.1 Ų84.10%039%0.391CS..EExtended strand (participates in β ladder)trans-115.1143.4165.457.9167.9000109.5Y178 Y183 I189 Y270 L272 L292Y178-I290 HydrophobicContact CE2-CG2 4.09Å; Y183-I290 HydrophobicContact CD2-CB 4.37Å; Y183-I290 HydrophobicContact CD2-CD1 4.48Å; Y183-I290 HydrophobicContact CD2-CG2 4.5Å; Y183-I290 HydrophobicContact CE2-CG2 4.18Å; I189-I290 HydrophobicContact CD1-CD1 3.94Å; Y270-I290 PolarHBondContact O-N 2.91Å; Y270-I290 VanDerWaalsContact O-O 3.08Å; L272-I290 HydrophobicContact CD1-CG2 3.79Å; L272-I290 HydrophobicContact CD2-CD1 4.1Å; L272-I290 HydrophobicContact CG-CD1 4.02Å; L272-I290 HydrophobicContact CG-CG1 4.4Å; L272-I290 HydrophobicContact CG-CG2 3.82Å; I290-L292 HydrophobicContact CD1-CD2 3.99Å; I290-L292 HydrophobicContact CG1-CD2 4.48Å
291T95.9Very high83.3Confident37 Ų3787.3 Ų87.323%0.22740%0.403CS..EExtended strand (participates in β ladder)trans-95.9120.7174.8-57.40000109.7S181 K182 Y183 T258 R260S181-T291 PolarHBondContact O-N 3.35Å; K182-T291 CarbonylContact C-O 3.1Å; K182-T291 VanDerWaalsContact CA-O 3.24Å; K182-T291 WeakPolarHBondContact CA-O 3.29Å; Y183-T291 PolarHBondContact N-O 3.19Å; T258-T291 HydrophobicContact CG2-CG2 4.44Å; T258-T291 WeakPolarHBondContact OG1-CA 3.49Å; R260-T291 PolarHBondContact NH2-OG1 3.11Å
292L96.8Very high80.9Confident3 Ų387.2 Ų87.22%0.01642%0.415CS..EExtended strand (participates in β ladder)trans-93.6138.6172.5-60.4-169.2000110.4Y183 L185 L250 L255 P257 T258 Y270 I290Y183-L292 CarbonylContact O-C 3.58Å; Y183-L292 VanDerWaalsContact O-CA 3.3Å; Y183-L292 WeakPolarHBondContact O-CA 3.17Å; L185-L292 HydrophobicContact CD2-CB 3.98Å; L185-L292 HydrophobicContact CD2-CD1 4.48Å; L250-L292 HydrophobicContact CD1-CD2 4.07Å; L255-L292 HydrophobicContact CB-CD1 4.1Å; L255-L292 HydrophobicContact CD1-CD1 4.04Å; L255-L292 HydrophobicContact CD2-CD1 3.87Å; L255-L292 HydrophobicContact CG-CD1 4.23Å; P257-L292 CarbonylContact C-O 3.48Å; P257-L292 WeakPolarHBondContact CA-O 3.31Å; T258-L292 PolarHBondContact N-O 2.86Å; T258-L292 PolarHBondContact OG1-N 3.12Å; Y270-L292 HydrophobicContact CD1-CD1 3.61Å; Y270-L292 HydrophobicContact CD1-CG 4.47Å; Y270-L292 HydrophobicContact CD2-CB 4.16Å; Y270-L292 HydrophobicContact CD2-CD1 3.61Å; Y270-L292 HydrophobicContact CD2-CG 3.84Å; Y270-L292 HydrophobicContact CE1-CD1 3.85Å; Y270-L292 HydrophobicContact CE2-CB 4.48Å; Y270-L292 HydrophobicContact CE2-CD1 3.86Å; Y270-L292 HydrophobicContact CE2-CG 4.43Å; Y270-L292 HydrophobicContact CG-CD1 3.48Å; Y270-L292 VanDerWaalsContact CG-CD1 3.48Å; Y270-L292 HydrophobicContact CG-CG 3.87Å; I290-L292 HydrophobicContact CD1-CD2 3.99Å; I290-L292 HydrophobicContact CG1-CD2 4.48Å
293W95.6Very high78.5Confident11 Ų1190.6 Ų90.64%0.04244%0.437CS..EExtended strand (participates in β ladder)trans-139.3154.817960.5-82.3000112.1S153 Y155 Y183 H184 L185 K295S153-W293 WeakPolarHBondContact O-CZ3 3.42Å; Y155-W293 HydrophobicContact CD1-CH2 4.09Å; Y155-W293 AromaticContact CD1-CZ2 3.84Å; Y155-W293 HydrophobicContact CD1-CZ2 3.84Å; Y155-W293 AromaticContact CD2-CH2 3.89Å; Y155-W293 HydrophobicContact CD2-CH2 3.89Å; Y155-W293 HydrophobicContact CD2-CZ2 4.47Å; Y155-W293 HydrophobicContact CE1-CH2 4.17Å; Y155-W293 AromaticContact CE1-CZ2 3.89Å; Y155-W293 HydrophobicContact CE1-CZ2 3.89Å; Y155-W293 AromaticContact CE2-CH2 3.99Å; Y155-W293 HydrophobicContact CE2-CH2 3.99Å; Y155-W293 AromaticContact CG-CH2 3.94Å; Y155-W293 HydrophobicContact CG-CH2 3.94Å; Y155-W293 HydrophobicContact CG-CZ2 4.14Å; Y183-W293 PolarHBondContact O-N 3.46Å; Y183-W293 PolarHBondContact O-NE1 2.83Å; H184-W293 CarbonylContact C-O 3.59Å; H184-W293 WeakPolarHBondContact CA-O 3.09Å; H184-W293 HydrophobicContact CB-CD2 4.01Å; H184-W293 HydrophobicContact CB-CE3 4.28Å; H184-W293 HydrophobicContact CB-CH2 4.14Å; H184-W293 HydrophobicContact CB-CZ2 3.83Å; H184-W293 HydrophobicContact CB-CZ3 4.36Å; L185-W293 WeakPolarHBondContact CG-O 3.37Å; L185-W293 PolarHBondContact N-O 3.3Å; W293-K295 HydrophobicContact CE3-CB 4.16Å; W293-K295 HydrophobicContact CH2-CB 3.99Å; W293-K295 HydrophobicContact CH2-CD 4.26Å; W293-K295 HydrophobicContact CH2-CG 4.04Å; W293-K295 VanDerWaalsContact CZ3-CA 3.46Å; W293-K295 HydrophobicContact CZ3-CB 3.55Å; W293-K295 HydrophobicContact CZ3-CG 3.87Å
294R94.8Very high76.4Confident50 Ų5086.3 Ų86.319%0.18943%0.433CS..  trans-93.5113.6178-172176.3-66.5-77.21.4109.9E117 T151 L152 S153 L185 P257E117-R294 IonicContact OE1-CZ 3.49Å; E117-R294 VanDerWaalsContact OE1-CZ 3.24Å; E117-R294 IonicContact OE1-NE 3.79Å; E117-R294 PolarHBondContact OE1-NE 3.32Å; E117-R294 IonicContact OE1-NH2 2.83Å; E117-R294 PolarHBondContact OE1-NH2 3.5Å; E117-R294 IonicContact OE2-NE 3.19Å; E117-R294 PolarHBondContact OE2-NE 2.99Å; T151-R294 WeakPolarHBondContact O-CB 3.45Å; L152-R294 HydrophobicContact CD2-CG 4Å; S153-R294 PolarHBondContact N-O 2.94Å; L185-R294 HydrophobicContact CD1-CB 4.18Å; L185-R294 HydrophobicContact CD1-CG 4.29Å; L185-R294 VanDerWaalsContact CD1-CZ 3.49Å; P257-R294 HydrophobicContact CG-CB 3.9Å
295K92.1Very high74.1Confident84 Ų8491.3 Ų91.337%0.36546%0.457SS..BIsolated β-bridgetrans-72.1129.7173.1-174.1173.5179173.90109.7Y155 H184 W293Y155-K295 HydrophobicContact CE2-CD 4.42Å; Y155-K295 PolarHBondContact OH-NZ 2.89Å; Y155-K295 VanDerWaalsContact OH-NZ 3.16Å; H184-K295 HydrophobicContact CB-CB 3.87Å; W293-K295 HydrophobicContact CE3-CB 4.16Å; W293-K295 HydrophobicContact CH2-CB 3.99Å; W293-K295 HydrophobicContact CH2-CD 4.26Å; W293-K295 HydrophobicContact CH2-CG 4.04Å; W293-K295 VanDerWaalsContact CZ3-CA 3.46Å; W293-K295 HydrophobicContact CZ3-CB 3.55Å; W293-K295 HydrophobicContact CZ3-CG 3.87Å
296G84.9Confident72Confident20 Ų2092.4 Ų92.421%0.20646%0.464CS..PPolyproline II helixtrans-61.8140.8170.400000111.4V298G296-V298 PolarHBondContact O-N 3.14Å
297D72.1Confident69.8Low101 Ų10190.8 Ų90.854%0.5447%0.47SS..PPolyproline II helixtrans-60.4127.7167.3-67.4-33.5000107K23 V299K23-D297 IonicContact NZ-OD2 3.58Å; K23-D297 PolarHBondContact NZ-OD2 2.97Å; D297-V299 HydrophobicContact CB-CG2 4.49Å; D297-V299 PolarHBondContact O-N 3.06Å
298V51.5Low67.4Low128 Ų12889.2 Ų89.278%0.77647%0.47SS*.  trans-72.275.9177.9-175.70000108.3G296G296-V298 PolarHBondContact O-N 3.14Å
299V44.7Very low65.3Low125 Ų12589.2 Ų89.276%0.75847%0.471SS*.  trans-113.174.2163.8-171.50000106.4D297 K301D297-V299 HydrophobicContact CB-CG2 4.49Å; D297-V299 PolarHBondContact O-N 3.06Å; V299-K301 PolarHBondContact O-N 2.89Å
300R40.4Very low63Low221 Ų22190.3 Ų90.383%0.83449%0.487SS*.  trans-70106.3163.4-94.6-174.5175.9175.7-1.1108.3
301K38.5Very low60.8Low198 Ų19893.5 Ų93.586%0.86151%0.509SS*.SBendtrans170.789.6141.8-94.5171.5-176.9-1750104V299V299-K301 PolarHBondContact O-N 2.89Å
302S42.4Very low58.4Low111 Ų11198.2 Ų98.278%0.77653%0.529SS*.SBend-176.529.783.158.20000114
303M43.3Very low56.1Low168 Ų168107.6 Ų107.683%0.82856%0.564SS**SBendtrans-121.225.1-174.1-75.7-71.4-74.300114.7
304S48.9Very low53.8Low78 Ų78115 Ų11555%0.54560%0.597SS.*  trans-109.616179.771.20000114.9A308S304-A308 WeakPolarHBondContact O-CB 3.39Å
305H43.4Very low51.7Low153 Ų153119.6 Ų119.671%0.70862%0.62SS**Hα-helixtrans-83.3-36.5175.1-137.249.2000112I309H305-I309 VanDerWaalsContact O-CD1 3.28Å; H305-I309 WeakPolarHBondContact O-CD1 3.42Å; H305-I309 WeakPolarHBondContact O-CG1 3.47Å; H305-I309 PolarHBondContact O-N 2.87Å
306Q47.4Very low49.5Very low161 Ų161117.8 Ų117.875%0.75263%0.626SS**Hα-helixtrans-75.6-36.5178.7-76.5179.5-9.700113.6A308 I309 A310Q306-A308 PolarHBondContact O-N 2.95Å; Q306-I309 PolarHBondContact O-N 3.01Å; Q306-A310 PolarHBondContact O-N 3.26Å
307A48.4Very low47.9Very low68 Ų68119.3 Ų119.356%0.56263%0.633SS**Hα-helixtrans-67.2-35.2176.600000112.9A310 S311A307-A310 PolarHBondContact O-N 2.77Å; A307-S311 PolarHBondContact O-N 2.79Å; A307-S311 VanDerWaalsContact O-N 3.16Å; A307-S311 PolarHBondContact O-OG 2.92Å
308A46.8Very low47Very low41 Ų41117.1 Ų117.134%0.33963%0.629SS.*Hα-helixtrans-70.5-34175.600000112.6S304 Q306 S311 Q312S304-A308 WeakPolarHBondContact O-CB 3.39Å; Q306-A308 PolarHBondContact O-N 2.95Å; A308-S311 PolarHBondContact O-OG 3.28Å; A308-Q312 WeakPolarHBondContact O-CG 3.38Å; A308-Q312 PolarHBondContact O-N 2.85Å; A308-Q312 VanDerWaalsContact O-N 3.17Å
309I50.2Low47.1Very low76 Ų76113.9 Ų113.939%0.3962%0.616SS.*Hα-helixtrans-71.4-34.9175.6-66.5165.1000110.7H305 Q306 R313H305-I309 VanDerWaalsContact O-CD1 3.28Å; H305-I309 WeakPolarHBondContact O-CD1 3.42Å; H305-I309 WeakPolarHBondContact O-CG1 3.47Å; H305-I309 PolarHBondContact O-N 2.87Å; Q306-I309 PolarHBondContact O-N 3.01Å; I309-R313 PolarHBondContact O-N 2.87Å
310A49.2Very low47.5Very low63 Ų63110.8 Ų110.852%0.52160%0.6SS.*Hα-helixtrans-68.1-39176.100000112.5Q306 A307Q306-A310 PolarHBondContact O-N 3.26Å; A307-A310 PolarHBondContact O-N 2.77Å
311S48.9Very low48.2Very low66 Ų66106.8 Ų106.846%0.46259%0.591SS.*Hα-helixtrans-69.9-37176.360.30000112.7A307 A308 R313 F314 E315A307-S311 PolarHBondContact O-N 2.79Å; A307-S311 VanDerWaalsContact O-N 3.16Å; A307-S311 PolarHBondContact O-OG 2.92Å; A308-S311 PolarHBondContact O-OG 3.28Å; S311-R313 VanDerWaalsContact C-N 3.33Å; S311-R313 PolarHBondContact O-N 2.84Å; S311-F314 PolarHBondContact O-N 3.04Å; S311-E315 PolarHBondContact O-N 3.06Å
312Q46.8Very low49.2Very low137 Ų137100.2 Ų100.264%0.6457%0.57SS**Hα-helixtrans-69.8-26.9177.8-75.6-179.4-15.700113.5A308 F314 G316A308-Q312 WeakPolarHBondContact O-CG 3.38Å; A308-Q312 PolarHBondContact O-N 2.85Å; A308-Q312 VanDerWaalsContact O-N 3.17Å; Q312-F314 VanDerWaalsContact C-N 3.34Å; Q312-G316 PolarHBondContact O-N 3.32Å
313R48.4Very low50Low199 Ų19997.7 Ų97.775%0.75156%0.555SS**Hα-helixtrans-71.8-27.6174.1-81.3-176.5177.2-177.2-0.8113.3I309 S311I309-R313 PolarHBondContact O-N 2.87Å; S311-R313 VanDerWaalsContact C-N 3.33Å; S311-R313 PolarHBondContact O-N 2.84Å
314F47.1Very low50.6Low166 Ų16695.7 Ų95.773%0.72855%0.547SS*.Hα-helixtrans-82.2-32.2-178.1-151.1-94.2000112.6S311 Q312 S317S311-F314 PolarHBondContact O-N 3.04Å; Q312-F314 VanDerWaalsContact C-N 3.34Å; F314-S317 PolarHBondContact O-OG 3.4Å; F314-S317 VanDerWaalsContact O-OG 3.06Å
315E50.1Low51.1Low147 Ų14798.5 Ų98.569%0.68755%0.552SS**Hα-helixtrans-71.6-33.4173.6-72.6179.2161.600112.3S311 S317 A319S311-E315 PolarHBondContact O-N 3.06Å; E315-S317 PolarHBondContact O-N 2.86Å; E315-A319 PolarHBondContact O-N 2.77Å
316G45.4Very low51.9Low47 Ų4798 Ų9849%0.48555%0.55SS.*Hα-helixtrans-67.2-32178.500000114.3Q312 S320Q312-G316 PolarHBondContact O-N 3.32Å; G316-S320 PolarHBondContact O-N 3.37Å
317S51.9Low52.6Low51 Ų5192.9 Ų92.936%0.35754%0.535SS..Hα-helixtrans-75.5-39.8178.554.30000112.4F314 E315 A319 S320 E321F314-S317 PolarHBondContact O-OG 3.4Å; F314-S317 VanDerWaalsContact O-OG 3.06Å; E315-S317 PolarHBondContact O-N 2.86Å; S317-A319 VanDerWaalsContact C-N 3.33Å; S317-A319 PolarHBondContact O-N 2.82Å; S317-S320 PolarHBondContact O-N 3.16Å; S317-S320 VanDerWaalsContact O-N 3.16Å; S317-S320 PolarHBondContact O-OG 2.79Å; S317-E321 PolarHBondContact O-N 2.86Å; S317-E321 VanDerWaalsContact O-N 3.11Å
318A52.7Low53.1Low55 Ų5592.7 Ų92.746%0.45553%0.533SS..Hα-helixtrans-67.1-32.617900000112.9S320 S322A318-S320 VanDerWaalsContact C-N 3.34Å; A318-S322 PolarHBondContact O-N 3.06Å; A318-S322 PolarHBondContact O-OG 3.15Å
319A53.4Low53.8Low60 Ų6098.3 Ų98.350%0.49655%0.55SS.*Hα-helixtrans-70.3-30.7174.200000112.4E315 S317 S322 A323E315-A319 PolarHBondContact O-N 2.77Å; S317-A319 VanDerWaalsContact C-N 3.33Å; S317-A319 PolarHBondContact O-N 2.82Å; A319-S322 PolarHBondContact O-OG 3.06Å; A319-A323 PolarHBondContact O-N 3.17Å
320S54.4Low54.3Low61 Ų61102.7 Ų102.743%0.42757%0.569SS.*Hα-helixtrans-77.2-35.4177.263.80000113.3G316 S317 A318 L324G316-S320 PolarHBondContact O-N 3.37Å; S317-S320 PolarHBondContact O-N 3.16Å; S317-S320 VanDerWaalsContact O-N 3.16Å; S317-S320 PolarHBondContact O-OG 2.79Å; A318-S320 VanDerWaalsContact C-N 3.34Å; S320-L324 WeakPolarHBondContact O-CD1 3.06Å; S320-L324 PolarHBondContact O-N 3.05Å
321E53.8Low54.6Low136 Ų136108.3 Ų108.364%0.63659%0.585SS**Hα-helixtrans-70.7-39.2177.6-74.8179159.300112.3S317 A323 L324 E325S317-E321 PolarHBondContact O-N 2.86Å; S317-E321 VanDerWaalsContact O-N 3.11Å; E321-A323 PolarHBondContact O-N 3.04Å; E321-L324 PolarHBondContact O-N 2.8Å; E321-E325 PolarHBondContact O-N 3.38Å; E321-E325 VanDerWaalsContact O-N 3.09Å
322S59.6Low54.9Low61 Ų61109.9 Ų109.943%0.42760%0.596SS.*Hα-helixtrans-68.5-32.217750.90000113.4A318 A319 Q326A318-S322 PolarHBondContact O-N 3.06Å; A318-S322 PolarHBondContact O-OG 3.15Å; A319-S322 PolarHBondContact O-OG 3.06Å; S322-Q326 PolarHBondContact O-N 2.72Å
323A59.3Low54.8Low57 Ų57109.9 Ų109.947%0.47163%0.632SS.*Hα-helixtrans-71.4-35.9174.800000112.8A319 E321 A327A319-A323 PolarHBondContact O-N 3.17Å; E321-A323 PolarHBondContact O-N 3.04Å; A323-A327 PolarHBondContact O-N 3.22Å
324L57.6Low55.2Low126 Ų126105.5 Ų105.566%0.6663%0.626SS**Hα-helixtrans-70.8-36175.9-81.2158.7000112.2S320 E321 A328S320-L324 WeakPolarHBondContact O-CD1 3.06Å; S320-L324 PolarHBondContact O-N 3.05Å; E321-L324 PolarHBondContact O-N 2.8Å; L324-A328 PolarHBondContact O-N 3.3Å
325E57.9Low55.6Low137 Ų137102.3 Ų102.364%0.6462%0.621SS**Hα-helixtrans-69.9-30.7175.4-101-172.1154.300113.7E321E321-E325 PolarHBondContact O-N 3.38Å; E321-E325 VanDerWaalsContact O-N 3.09Å
326Q61Low55.9Low144 Ų14499.8 Ų99.867%0.67362%0.617SS**Hα-helixtrans-73.8-40.4174.7-79.5-179.2-17.300111.9S322 A328 K329 E330S322-Q326 PolarHBondContact O-N 2.72Å; Q326-A328 PolarHBondContact O-N 3.02Å; Q326-K329 PolarHBondContact O-N 3.28Å; Q326-E330 PolarHBondContact O-N 2.88Å
327A61.2Low56.5Low53 Ų53102.9 Ų102.944%0.43863%0.625SS.*Hα-helixtrans-64.2-37.5176.500000112.7A323 K329 E330A323-A327 PolarHBondContact O-N 3.22Å; A327-K329 VanDerWaalsContact C-N 3.27Å; A327-K329 PolarHBondContact O-N 2.58Å; A327-E330 PolarHBondContact O-N 2.79Å
328A60.3Low56.8Low63 Ų63106.1 Ų106.152%0.52164%0.642SS.*Hα-helixtrans-69.3-21.7178.200000114L324 Q326 S332L324-A328 PolarHBondContact O-N 3.3Å; Q326-A328 PolarHBondContact O-N 3.02Å; A328-S332 PolarHBondContact O-OG 3.47Å
329K61.2Low57.1Low159 Ų159109.5 Ų109.569%0.69166%0.655SS**Hα-helixtrans-83.9-23.7176.4-80.9177.3178.4168.30113.3Q326 A327Q326-K329 PolarHBondContact O-N 3.28Å; A327-K329 VanDerWaalsContact C-N 3.27Å; A327-K329 PolarHBondContact O-N 2.58Å
330E60.3Low57.3Low169 Ų169113.1 Ų113.179%0.7967%0.666SS**Hα-helixtrans-80.1-24.1176-75.6-176.1155.500113Q326 A327Q326-E330 PolarHBondContact O-N 2.88Å; A327-E330 PolarHBondContact O-N 2.79Å
331E55.9Low57.6Low181 Ų181117.1 Ų117.185%0.84668%0.684SS**THydrogen-bonded Turntrans-85.3-5177-75.4-170.1153.500114.8
332S53.8Low57.9Low99 Ų99115.5 Ų115.569%0.69269%0.688SS**THydrogen-bonded Turntrans-111.714.8-17952.90000114.6A328A328-S332 PolarHBondContact O-OG 3.47Å
333G46.5Very low57.7Low137 Ų137120.5 Ų120.5100%1.41271%0.712SS**  trans-96.30174.800000113.9

Retrieved 333 of 333 residues in 94.5 ms (Link to these results)

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