A0A077ZCA9_TRITR Loading...

thioredoxin-dependent peroxiredoxin

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively.

AlphaFold DB , UniProt , Accession A0A077ZCA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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
1M47.7Very low54Low243 Ų243162.8 Ų162.8100%1.19787%0.874SS**  0109.80-71.3-178.6-81.200104.9
2E45.2Very low53.7Low197 Ų197158.6 Ų158.692%0.92186%0.864SS**  cis-127.1149.420.4-80.7160112.100110.6
3R44.2Very low53.3Low250 Ų250151.7 Ų151.794%0.94385%0.852SS**  trans-85.9113.8168.1-81.7179170.1-179.9-3.2108.2
4A58.6Low53.6Low98 Ų98152.7 Ų152.781%0.8185%0.852SS**  trans-81.3117.9165.300000109.3L6A4-L6 PolarHBondContact O-N 3.1Å
5Y49.4Very low53.6Low225 Ų225148.7 Ų148.788%0.88285%0.846SS**  trans-82.3104.1176.1-142-94000108.1A7Y5-A7 PolarHBondContact O-N 2.91Å
6L55.9Low53.9Low170 Ų170145.3 Ų145.389%0.8984%0.842SS**  trans-84.4104169.1-82.2163.2000108.3A4 G8A4-L6 PolarHBondContact O-N 3.1Å; L6-G8 PolarHBondContact O-N 3.28Å
7A61.4Low54.2Low81 Ų81141.8 Ų141.867%0.66984%0.835SS**  trans-70.4116.816900000109.2Y5 F9Y5-A7 PolarHBondContact O-N 2.91Å; A7-F9 PolarHBondContact O-N 2.82Å
8G56.4Low54.5Low78 Ų78140.2 Ų140.280%0.80483%0.829SS**  trans-68.7122175.800000111.3L6 S10L6-G8 PolarHBondContact O-N 3.28Å; G8-S10 PolarHBondContact O-N 2.64Å
9F56.8Low54.9Low199 Ų199138.5 Ų138.587%0.87382%0.822SS**  trans-73.4110.5164.8-85.2-91.9000108.9A7 V11A7-F9 PolarHBondContact O-N 2.82Å; F9-V11 PolarHBondContact O-N 3.13Å
10S62.1Low55.7Low116 Ų116134.6 Ų134.681%0.81180%0.8SS**  trans-70.1106.2166.7176.40000108.8G8 C12G8-S10 PolarHBondContact O-N 2.64Å; S10-C12 PolarHBondContact O-N 3.16Å; S10-C12 VanDerWaalsContact O-N 3.12Å
11V55.9Low57.2Low134 Ų134133.4 Ų133.481%0.81279%0.794SS**  trans-71.8103.1168.6-174.80000107.1F9 G13F9-V11 PolarHBondContact O-N 3.13Å; V11-G13 PolarHBondContact O-N 3.19Å
12C51.4Low59.4Low112 Ų112125 Ų12576%0.75775%0.753SS**  trans-64.5106.8170.5-158.30000107.5S10 I14S10-C12 PolarHBondContact O-N 3.16Å; S10-C12 VanDerWaalsContact O-N 3.12Å; C12-I14 PolarHBondContact O-N 3.27Å
13G48.4Very low61.8Low69 Ų69116 Ų11671%0.71171%0.712SS**  trans-63106.1177.400000109.7V11 A15V11-G13 PolarHBondContact O-N 3.19Å; G13-A15 PolarHBondContact O-N 3.49Å; G13-A15 VanDerWaalsContact O-N 3.07Å
14I57.7Low64.3Low166 Ų166111.9 Ų111.985%0.85170%0.697SS**  trans-67.2106.5167.7-56.1172.2000105.5C12 A16C12-I14 PolarHBondContact O-N 3.27Å; I14-A16 PolarHBondContact O-N 3.06Å; I14-A16 VanDerWaalsContact O-N 3.14Å
15A52.6Low66.1Low92 Ų92110.2 Ų110.276%0.7668%0.678SS**PPolyproline II helixtrans-55.9121.2169.500000107.8G13 A17G13-A15 PolarHBondContact O-N 3.49Å; G13-A15 VanDerWaalsContact O-N 3.07Å; A15-A17 PolarHBondContact O-N 3Å
16A58.1Low68.4Low95 Ų95107.7 Ų107.779%0.78567%0.674SS**PPolyproline II helixtrans-57.7130.4174.800000108.4I14I14-A16 PolarHBondContact O-N 3.06Å; I14-A16 VanDerWaalsContact O-N 3.14Å
17A59.6Low70.4Confident86 Ų86102 Ų10271%0.71164%0.644SS**PPolyproline II helixtrans-54.9142172.200000109A15A15-A17 PolarHBondContact O-N 3Å
18P59.3Low72.1Confident112 Ų112104.9 Ų104.973%0.72764%0.644SS**PPolyproline II helixtrans-54.6145.4175.923.8-32.7000109.4
19P62.7Low74.1Confident109 Ų109101.5 Ų101.571%0.70861%0.608SS**PPolyproline II helixtrans-55.3136.7178.624.2-33.1000108.8T21P19-T21 PolarHBondContact O-N 3.31Å; P19-T21 VanDerWaalsContact O-N 3.16Å
20P70.1Confident76.1Confident59 Ų5993.5 Ų93.538%0.38358%0.576SS.*PPolyproline II helixtrans-60.2125.3-176.916.4-23000109.7R130P20-R130 VanDerWaalsContact CB-O 3.31Å; P20-R130 WeakPolarHBondContact CB-O 3.43Å; P20-R130 HydrophobicContact CG-CG 3.37Å; P20-R130 VanDerWaalsContact CG-O 3.26Å; P20-R130 WeakPolarHBondContact CG-O 3.38Å
21T87.1Confident77.8Confident110 Ų11093.4 Ų93.468%0.67557%0.567SS**PPolyproline II helixtrans-88.2152.4177.854.80000109.8P19P19-T21 PolarHBondContact O-N 3.31Å; P19-T21 VanDerWaalsContact O-N 3.16Å
22I95.2Very high79.8Confident66 Ų6687.3 Ų87.334%0.33853%0.529SS..PPolyproline II helixtrans-50.7126.8170.1-65170000109.1R24 G133 F147 V158 V160I22-R24 PolarHBondContact O-N 2.87Å; I22-G133 VanDerWaalsContact CG1-O 3.27Å; I22-G133 WeakPolarHBondContact CG1-O 3.33Å; I22-F147 HydrophobicContact CG2-CE1 3.97Å; I22-F147 HydrophobicContact CG2-CZ 4.31Å; I22-V158 HydrophobicContact CG2-CG1 3.7Å; I22-V158 HydrophobicContact CG2-CG2 4.46Å; I22-V160 HydrophobicContact CD1-CG2 4.02Å
23P95.5Very high82.1Confident8 Ų887.9 Ų87.95%0.05252%0.519CS..PPolyproline II helixtrans-62.7131.6178.926.5-34.7000109.5P30 Y132 F147 V155 V158P23-P30 HydrophobicContact CB-CG 4.12Å; P23-P30 HydrophobicContact CG-CG 4.11Å; P23-Y132 WeakPolarHBondContact CD-O 3.44Å; P23-Y132 HydrophobicContact CG-CD1 4.03Å; P23-Y132 HydrophobicContact CG-CE1 4.5Å; P23-F147 HydrophobicContact CG-CD1 3.97Å; P23-F147 HydrophobicContact CG-CE1 3.6Å; P23-F147 HydrophobicContact CG-CZ 4.48Å; P23-V155 HydrophobicContact CB-CG2 4.21Å; P23-V155 HydrophobicContact CG-CG2 4.37Å; P23-V158 WeakPolarHBondContact O-CG2 3.2Å
24R96Very high84.5Confident164 Ų16486.1 Ų86.162%0.61950%0.495SS*.PPolyproline II helixtrans-83.2154.9-174.5-53.6168.4-59.9164.210.6109.6I22 Q26 D27I22-R24 PolarHBondContact O-N 2.87Å; R24-Q26 PolarHBondContact O-N 3.39Å; R24-D27 VanDerWaalsContact CB-OD2 3.25Å; R24-D27 WeakPolarHBondContact CB-OD2 3.4Å; R24-D27 IonicContact CZ-OD1 3.7Å; R24-D27 IonicContact CZ-OD2 3.81Å; R24-D27 PolarHBondContact N-OD2 3.35Å; R24-D27 IonicContact NE-OD1 3.63Å; R24-D27 IonicContact NE-OD2 3.02Å; R24-D27 PolarHBondContact NE-OD2 3.06Å; R24-D27 IonicContact NH2-OD1 3.32Å; R24-D27 PolarHBondContact NH2-OD1 2.8Å; R24-D27 IonicContact NH2-OD2 2.82Å; R24-D27 WeakPolarHBondContact O-CB 3.25Å; R24-D27 PolarHBondContact O-N 2.86Å
25P97.6Very high86.4Confident63 Ų6381.3 Ų81.341%0.40947%0.469SS..THydrogen-bonded Turntrans-49.7135.4162.5-2635.4000110.5V155P25-V155 CarbonylContact C-O 3.1Å; P25-V155 VanDerWaalsContact CA-O 3.27Å; P25-V155 WeakPolarHBondContact CA-O 3.23Å
26Q97.2Very high88.6Confident172 Ų17276.9 Ų76.980%0.80443%0.433SS*.THydrogen-bonded Turntrans85.6-15-171.3-51.7164.68000116.1R24 V155R24-Q26 PolarHBondContact O-N 3.39Å; Q26-V155 PolarHBondContact N-O 3.03Å
27D97.4Very high90.5Very high50 Ų5072.4 Ų72.427%0.26740%0.396SS..SBendtrans-76.6150.9171.9-61.6-28.6000110.1R24 A29 V155R24-D27 VanDerWaalsContact CB-OD2 3.25Å; R24-D27 WeakPolarHBondContact CB-OD2 3.4Å; R24-D27 IonicContact CZ-OD1 3.7Å; R24-D27 IonicContact CZ-OD2 3.81Å; R24-D27 PolarHBondContact N-OD2 3.35Å; R24-D27 IonicContact NE-OD1 3.63Å; R24-D27 IonicContact NE-OD2 3.02Å; R24-D27 PolarHBondContact NE-OD2 3.06Å; R24-D27 IonicContact NH2-OD1 3.32Å; R24-D27 PolarHBondContact NH2-OD1 2.8Å; R24-D27 IonicContact NH2-OD2 2.82Å; R24-D27 WeakPolarHBondContact O-CB 3.25Å; R24-D27 PolarHBondContact O-N 2.86Å; D27-A29 PolarHBondContact O-N 3.09Å; D27-V155 PolarHBondContact O-N 3.19Å
28H97.9Very high92.4Very high142 Ų14271.1 Ų71.166%0.65738%0.377SS*.BIsolated β-bridgetrans-63135.4165.9-80-80.6000109.6I154H28-I154 WeakPolarHBondContact CE1-CD1 3.24Å; H28-I154 WeakPolarHBondContact ND1-CD1 3.19Å
29A98.3Very high94Very high8 Ų867.6 Ų67.67%0.06636%0.36CS..PPolyproline II helixtrans-60.7131.2175.900000110.2D27 N31 L47 I149 G153 V155D27-A29 PolarHBondContact O-N 3.09Å; A29-N31 PolarHBondContact O-N 2.87Å; A29-L47 HydrophobicContact CB-CD2 4.03Å; A29-I149 HydrophobicContact CB-CD1 3.69Å; A29-I149 HydrophobicContact CB-CG1 3.95Å; A29-I149 HydrophobicContact CB-CG2 3.98Å; A29-G153 PolarHBondContact N-O 2.82Å; A29-V155 HydrophobicContact CB-CG2 3.83Å
30P98.1Very high95.4Very high30 Ų3067.5 Ų67.520%0.19536%0.358CS..PPolyproline II helixtrans-54.6131.2175.4-25.533.5000110.9P23 N131 Y132P23-P30 HydrophobicContact CB-CG 4.12Å; P23-P30 HydrophobicContact CG-CG 4.11Å; P30-N131 HydrophobicContact CB-CB 3.96Å; P30-N131 WeakPolarHBondContact CG-O 3.47Å; P30-Y132 HydrophobicContact CB-CD2 4.24Å; P30-Y132 HydrophobicContact CB-CE2 4Å; P30-Y132 HydrophobicContact CG-CD2 4.4Å; P30-Y132 HydrophobicContact CG-CE2 4.37Å; P30-Y132 WeakPolarHBondContact O-CE2 3.09Å; P30-Y132 PolarHBondContact O-OH 2.99Å
31N98.1Very high96.7Very high114 Ų11467.6 Ų67.661%0.6136%0.36SS*.PPolyproline II helixtrans-63.5144.6-178.7-168.626.9000110.9A29A29-N31 PolarHBondContact O-N 2.87Å
32F98.6Very high97.3Very high6 Ų666 Ų663%0.02634%0.344CS..  trans-138.7152.5174.464.6-103.2000110.9K46 L47 L55 L57 I90 M121 I128 Y132F32-K46 WeakPolarHBondContact O-CA 3.27Å; F32-K46 WeakPolarHBondContact O-CB 3.31Å; F32-L47 HydrophobicContact CD1-CB 3.87Å; F32-L47 HydrophobicContact CD1-CD1 4.45Å; F32-L47 HydrophobicContact CD2-CB 4.5Å; F32-L47 HydrophobicContact CE1-CB 3.7Å; F32-L47 HydrophobicContact CE1-CD1 3.68Å; F32-L47 HydrophobicContact CE1-CG 4.19Å; F32-L47 HydrophobicContact CE2-CB 4.33Å; F32-L47 HydrophobicContact CG-CB 4.28Å; F32-L47 HydrophobicContact CZ-CB 3.93Å; F32-L47 HydrophobicContact CZ-CD1 4.13Å; F32-L47 PolarHBondContact O-N 3.2Å; F32-L55 HydrophobicContact CE1-CD2 4.26Å; F32-L55 HydrophobicContact CZ-CD2 3.99Å; F32-L57 HydrophobicContact CD1-CD2 4.08Å; F32-L57 HydrophobicContact CE1-CD2 3.88Å; F32-I90 HydrophobicContact CE2-CD1 4.11Å; F32-I90 HydrophobicContact CZ-CD1 3.88Å; F32-M121 HydrophobicContact CD2-CE 4.03Å; F32-M121 HydrophobicContact CD2-SD 3.78Å; F32-M121 HydrophobicContact CE2-CE 4.3Å; F32-M121 HydrophobicContact CE2-SD 4.03Å; F32-M121 HydrophobicContact CG-CE 4.42Å; F32-I128 HydrophobicContact CB-CD1 4Å; F32-I128 HydrophobicContact CB-CG1 4.03Å; F32-I128 HydrophobicContact CB-CG2 3.82Å; F32-I128 HydrophobicContact CG-CG2 4.47Å; F32-Y132 HydrophobicContact CD1-CE2 4.07Å; F32-Y132 WeakPolarHBondContact CD1-OH 3.42Å
33K98.5Very high97.4Very high125 Ų12568.2 Ų68.254%0.54335%0.351SS..EExtended strand (participates in β ladder)trans-154.3120.8172.6-177175.286.9114.10108.9E44 V45 K46K33-E44 HydrophobicContact CD-CG 4.37Å; K33-E44 WeakPolarHBondContact CD-OE1 3.49Å; K33-E44 WeakPolarHBondContact CD-OE2 3.32Å; K33-E44 WeakPolarHBondContact CE-OE2 3.28Å; K33-E44 HydrophobicContact CG-CG 3.78Å; K33-E44 IonicContact NZ-OE1 3.5Å; K33-E44 IonicContact NZ-OE2 2.77Å; K33-E44 PolarHBondContact NZ-OE2 2.51Å; K33-V45 VanDerWaalsContact CA-O 3.3Å; K33-V45 WeakPolarHBondContact CA-O 3.45Å; K33-K46 HydrophobicContact CB-CB 4.02Å; K33-K46 HydrophobicContact CG-CB 4.01Å
34S98.5Very high97.6Very high31 Ų3172.3 Ų72.322%0.21737%0.369CS..EExtended strand (participates in β ladder)trans-158.9173177.7-161.50000112.8E44 V45 A122S34-E44 CarbonylContact O-C 3.53Å; S34-E44 WeakPolarHBondContact O-CA 3.5Å; S34-V45 PolarHBondContact N-O 3.47Å; S34-V45 PolarHBondContact O-N 3.18Å; S34-A122 VanDerWaalsContact CB-O 3.25Å; S34-A122 WeakPolarHBondContact CB-O 3.24Å; S34-A122 PolarHBondContact OG-O 2.78Å
35Q98.5Very high97.7Very high65 Ų6564.8 Ų64.830%0.30434%0.341SS..EExtended strand (participates in β ladder)trans-73.2136.1170.4-67.7-63.5-49.200110.5K43 H97 A122Q35-K43 CarbonylContact C-O 3.56Å; Q35-K43 WeakPolarHBondContact CA-O 3.48Å; Q35-H97 HydrophobicContact CB-CB 4.21Å; Q35-A122 PolarHBondContact O-N 2.88Å
36A98.7Very high97.7Very high0 Ų065.5 Ų65.50%034%0.338CS..EExtended strand (participates in β ladder)trans-127.7153.6169.900000110.5K43 V45 P119 V120 M121A36-K43 PolarHBondContact N-O 3.4Å; A36-K43 PolarHBondContact O-N 3.17Å; A36-V45 HydrophobicContact CB-CG1 3.98Å; A36-V45 HydrophobicContact CB-CG2 3.76Å; A36-P119 HydrophobicContact CB-CB 4.1Å; A36-V120 CarbonylContact C-O 3.57Å; A36-V120 WeakPolarHBondContact CA-O 3.31Å; A36-V120 WeakPolarHBondContact CB-O 3.49Å; A36-M121 HydrophobicContact CB-CB 4.03Å; A36-M121 HydrophobicContact CB-CG 4.47Å
37V98.6Very high97.8Very high1 Ų158.5 Ų58.51%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-87.3122.3167-170.90000108.3G39 S41 F42 H97 H100 L101 I104 V120V37-G39 WeakPolarHBondContact CG1-O 3.28Å; V37-S41 WeakPolarHBondContact CA-O 3.33Å; V37-F42 HydrophobicContact CG2-CD1 4.04Å; V37-F42 HydrophobicContact CG2-CE1 4Å; V37-H97 HydrophobicContact CG2-CB 4.33Å; V37-H97 VanDerWaalsContact CG2-O 3.27Å; V37-H97 WeakPolarHBondContact CG2-O 3.45Å; V37-H100 HydrophobicContact CB-CB 4.43Å; V37-H100 HydrophobicContact CG2-CB 3.58Å; V37-L101 HydrophobicContact CG1-CB 4.47Å; V37-L101 HydrophobicContact CG1-CD1 4.1Å; V37-L101 HydrophobicContact CG2-CB 4.22Å; V37-I104 HydrophobicContact CB-CD1 3.75Å; V37-I104 HydrophobicContact CG1-CD1 3.5Å; V37-I104 VanDerWaalsContact CG1-CD1 3.5Å; V37-V120 PolarHBondContact N-O 3.02Å; V37-V120 PolarHBondContact O-N 2.85Å; V37-V120 VanDerWaalsContact O-N 3.11Å
38I97.8Very high97.8Very high59 Ų5959.3 Ų59.330%0.30332%0.316SS..EExtended strand (participates in β ladder)trans-124.9110175.5-57.5-177000107.5T40 S41 K43 V45 P119I38-T40 PolarHBondContact O-N 3.5Å; I38-S41 PolarHBondContact N-O 2.93Å; I38-S41 PolarHBondContact O-N 3.19Å; I38-K43 HydrophobicContact CB-CD 4.36Å; I38-K43 HydrophobicContact CD1-CB 4.13Å; I38-K43 HydrophobicContact CD1-CD 4.15Å; I38-V45 HydrophobicContact CD1-CG1 3.98Å; I38-P119 HydrophobicContact CD1-CB 4.19Å; I38-P119 HydrophobicContact CD1-CG 3.96Å; I38-P119 HydrophobicContact CG1-CB 3.92Å; I38-P119 HydrophobicContact CG1-CG 4.04Å
39G93.8Very high97.8Very high37 Ų3756.4 Ų56.438%0.38131%0.305SS..THydrogen-bonded Turntrans65-115.4-164.700000109.7V37V37-G39 WeakPolarHBondContact CG1-O 3.28Å
40T92.8Very high97.8Very high107 Ų10757.4 Ų57.466%0.65631%0.307SS*.THydrogen-bonded Turntrans-114.111.5176.255.30000113I38I38-T40 PolarHBondContact O-N 3.5Å
41S97.3Very high97.8Very high61 Ų6164.5 Ų64.543%0.42734%0.335SS..EExtended strand (participates in β ladder)trans-112.5148.5-175.8-60.40000112.1V37 I38V37-S41 WeakPolarHBondContact CA-O 3.33Å; I38-S41 PolarHBondContact N-O 2.93Å; I38-S41 PolarHBondContact O-N 3.19Å
42F98.4Very high97.8Very high78 Ų7861.1 Ų61.134%0.34233%0.327SS..EExtended strand (participates in β ladder)trans-84.9129.5169.4-53.3-39.4000110.4V37 H97 F98 L101V37-F42 HydrophobicContact CG2-CD1 4.04Å; V37-F42 HydrophobicContact CG2-CE1 4Å; F42-H97 HydrophobicContact CD1-CB 4.23Å; F42-H97 AromaticContact CD1-CD2 3.82Å; F42-H97 AromaticContact CD2-CD2 3.91Å; F42-H97 HydrophobicContact CE1-CB 4.3Å; F42-H97 AromaticContact CE1-CD2 3.81Å; F42-H97 WeakPolarHBondContact CE1-O 3.43Å; F42-H97 AromaticContact CE2-CD2 3.91Å; F42-H97 AromaticContact CG-CD2 3.87Å; F42-H97 AromaticContact CZ-CD2 3.87Å; F42-F98 HydrophobicContact CE2-CD1 4.04Å; F42-F98 AromaticContact CE2-CE1 3.74Å; F42-F98 HydrophobicContact CE2-CE1 3.74Å; F42-F98 AromaticContact CZ-CD1 3.8Å; F42-F98 HydrophobicContact CZ-CD1 3.8Å; F42-F98 HydrophobicContact CZ-CE1 4.01Å; F42-L101 HydrophobicContact CE1-CB 3.89Å; F42-L101 HydrophobicContact CE1-CD2 3.8Å; F42-L101 HydrophobicContact CE1-CG 4.4Å; F42-L101 HydrophobicContact CZ-CB 4.28Å; F42-L101 HydrophobicContact CZ-CD2 3.59Å
43K98.3Very high97.8Very high112 Ų11264.3 Ų64.349%0.48734%0.341SS..EExtended strand (participates in β ladder)trans-138.7143.5176.7-66.2-173.1177.9179.60110.2Q35 A36 I38Q35-K43 CarbonylContact C-O 3.56Å; Q35-K43 WeakPolarHBondContact CA-O 3.48Å; A36-K43 PolarHBondContact N-O 3.4Å; A36-K43 PolarHBondContact O-N 3.17Å; I38-K43 HydrophobicContact CB-CD 4.36Å; I38-K43 HydrophobicContact CD1-CB 4.13Å; I38-K43 HydrophobicContact CD1-CD 4.15Å
44E98.5Very high97.9Very high94 Ų9458.7 Ų58.744%0.43932%0.316SS..EExtended strand (participates in β ladder)trans-73.4131.8168.4-168.8177.779.800109.1K33 S34K33-E44 HydrophobicContact CD-CG 4.37Å; K33-E44 WeakPolarHBondContact CD-OE1 3.49Å; K33-E44 WeakPolarHBondContact CD-OE2 3.32Å; K33-E44 WeakPolarHBondContact CE-OE2 3.28Å; K33-E44 HydrophobicContact CG-CG 3.78Å; K33-E44 IonicContact NZ-OE1 3.5Å; K33-E44 IonicContact NZ-OE2 2.77Å; K33-E44 PolarHBondContact NZ-OE2 2.51Å; S34-E44 CarbonylContact O-C 3.53Å; S34-E44 WeakPolarHBondContact O-CA 3.5Å
45V98.2Very high97.9Very high5 Ų557.3 Ų57.33%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-120.7142.1170.4-63.20000108.8K33 S34 A36 I38 M121K33-V45 VanDerWaalsContact CA-O 3.3Å; K33-V45 WeakPolarHBondContact CA-O 3.45Å; S34-V45 PolarHBondContact N-O 3.47Å; S34-V45 PolarHBondContact O-N 3.18Å; A36-V45 HydrophobicContact CB-CG1 3.98Å; A36-V45 HydrophobicContact CB-CG2 3.76Å; I38-V45 HydrophobicContact CD1-CG1 3.98Å; V45-M121 HydrophobicContact CG2-CB 4.37Å; V45-M121 HydrophobicContact CG2-CG 3.95Å; V45-M121 HydrophobicContact CG2-SD 3.58Å; V45-M121 VanDerWaalsContact CG2-SD 3.58Å
46K98.6Very high97.9Very high79 Ų7954.2 Ų54.234%0.34329%0.292SS..EExtended strand (participates in β ladder)trans-138.1153.9175.751.1-176.9179.5-169.10110.9F32 K33 S48 D49 Y50F32-K46 WeakPolarHBondContact O-CA 3.27Å; F32-K46 WeakPolarHBondContact O-CB 3.31Å; K33-K46 HydrophobicContact CB-CB 4.02Å; K33-K46 HydrophobicContact CG-CB 4.01Å; K46-S48 WeakPolarHBondContact CD-OG 3.11Å; K46-S48 WeakPolarHBondContact CE-OG 3.27Å; K46-S48 WeakPolarHBondContact CG-OG 3.19Å; K46-S48 PolarHBondContact O-N 3.37Å; K46-S48 VanDerWaalsContact O-N 3.08Å; K46-D49 WeakPolarHBondContact CE-OD1 3.25Å; K46-D49 VanDerWaalsContact CG-OD1 3.24Å; K46-D49 WeakPolarHBondContact CG-OD1 3.23Å; K46-D49 WeakPolarHBondContact CG-OD2 3.4Å; K46-D49 PolarHBondContact N-OD2 3.02Å; K46-D49 WeakPolarHBondContact O-CB 3.44Å; K46-D49 PolarHBondContact O-N 2.92Å; K46-Y50 WeakPolarHBondContact O-CD2 3.4Å
47L98.6Very high97.9Very high25 Ų2554.2 Ų54.213%0.13129%0.292CS..G310 helixtrans-52.4-37.7-179.1177.360.5000112.3A29 F32 D49 Y50 L55 I149A29-L47 HydrophobicContact CB-CD2 4.03Å; F32-L47 HydrophobicContact CD1-CB 3.87Å; F32-L47 HydrophobicContact CD1-CD1 4.45Å; F32-L47 HydrophobicContact CD2-CB 4.5Å; F32-L47 HydrophobicContact CE1-CB 3.7Å; F32-L47 HydrophobicContact CE1-CD1 3.68Å; F32-L47 HydrophobicContact CE1-CG 4.19Å; F32-L47 HydrophobicContact CE2-CB 4.33Å; F32-L47 HydrophobicContact CG-CB 4.28Å; F32-L47 HydrophobicContact CZ-CB 3.93Å; F32-L47 HydrophobicContact CZ-CD1 4.13Å; F32-L47 PolarHBondContact O-N 3.2Å; L47-D49 PolarHBondContact O-N 2.89Å; L47-Y50 PolarHBondContact O-N 2.95Å; L47-Y50 VanDerWaalsContact O-N 3.13Å; L47-L55 HydrophobicContact CD1-CD2 3.94Å; L47-I149 HydrophobicContact CD1-CD1 4.26Å
48S98.3Very high97.9Very high67 Ų6754.2 Ų54.247%0.46929%0.292SS..G310 helixtrans-63.2-21-18062.30000114.6K46 Y50 K51K46-S48 WeakPolarHBondContact CD-OG 3.11Å; K46-S48 WeakPolarHBondContact CE-OG 3.27Å; K46-S48 WeakPolarHBondContact CG-OG 3.19Å; K46-S48 PolarHBondContact O-N 3.37Å; K46-S48 VanDerWaalsContact O-N 3.08Å; S48-Y50 PolarHBondContact O-N 3.31Å; S48-K51 WeakPolarHBondContact O-CB 3.26Å; S48-K51 PolarHBondContact O-N 2.86Å
49D98.3Very high98Very high81 Ų8151.4 Ų51.443%0.43328%0.277SS..G310 helixtrans-68.2-17.8177.7-58.9-25.3000112.1K46 L47K46-D49 WeakPolarHBondContact CE-OD1 3.25Å; K46-D49 VanDerWaalsContact CG-OD1 3.24Å; K46-D49 WeakPolarHBondContact CG-OD1 3.23Å; K46-D49 WeakPolarHBondContact CG-OD2 3.4Å; K46-D49 PolarHBondContact N-OD2 3.02Å; K46-D49 WeakPolarHBondContact O-CB 3.44Å; K46-D49 PolarHBondContact O-N 2.92Å; L47-D49 PolarHBondContact O-N 2.89Å
50Y98.3Very high98.2Very high28 Ų2849.7 Ų49.711%0.1126%0.259CS..G310 helixtrans-102.76.4-177.8-59-86.6000113K46 L47 S48 G52 K53 L55 E88 I90K46-Y50 WeakPolarHBondContact O-CD2 3.4Å; L47-Y50 PolarHBondContact O-N 2.95Å; L47-Y50 VanDerWaalsContact O-N 3.13Å; S48-Y50 PolarHBondContact O-N 3.31Å; Y50-G52 PolarHBondContact O-N 2.87Å; Y50-K53 WeakPolarHBondContact O-CB 3.13Å; Y50-K53 PolarHBondContact O-N 2.97Å; Y50-L55 HydrophobicContact CD1-CD1 3.95Å; Y50-L55 HydrophobicContact CD2-CD2 4.1Å; Y50-L55 HydrophobicContact CE1-CD1 4.14Å; Y50-L55 HydrophobicContact CG-CD1 4.2Å; Y50-L55 HydrophobicContact CG-CD2 4Å; Y50-L55 HydrophobicContact CG-CG 4.49Å; Y50-E88 HydrophobicContact CD1-CB 3.61Å; Y50-E88 HydrophobicContact CD1-CG 3.82Å; Y50-E88 HydrophobicContact CE1-CB 3.63Å; Y50-E88 HydrophobicContact CE1-CG 3.99Å; Y50-I90 HydrophobicContact CD2-CD1 4.13Å; Y50-I90 HydrophobicContact CE1-CD1 4.1Å; Y50-I90 HydrophobicContact CE1-CG1 4.29Å; Y50-I90 HydrophobicContact CE2-CD1 3.36Å; Y50-I90 HydrophobicContact CE2-CG1 4.33Å; Y50-I90 VanDerWaalsContact OH-CD1 3.29Å; Y50-I90 WeakPolarHBondContact OH-CD1 3.49Å; Y50-I90 WeakPolarHBondContact OH-CG1 3.29Å
51K97.8Very high98.4Very high180 Ų18045 Ų4578%0.78323%0.231SC*.THydrogen-bonded Turntrans-56.6134.6175.5-174178.2-179179.90110.4S48 K53S48-K51 WeakPolarHBondContact O-CB 3.26Å; S48-K51 PolarHBondContact O-N 2.86Å; K51-K53 VanDerWaalsContact C-N 3.28Å
52G98.4Very high98.5Very high42 Ų4245.1 Ų45.143%0.43323%0.226SC..THydrogen-bonded Turntrans83.3-0.8-176.300000114.6Y50 N86 P151Y50-G52 PolarHBondContact O-N 2.87Å; G52-N86 PolarHBondContact O-ND2 3.36Å; G52-N86 VanDerWaalsContact O-ND2 3.13Å; G52-P151 PolarHBondContact N-O 3.09Å
53K98.7Very high98.5Very high73 Ų7341.8 Ų41.832%0.31721%0.212SC..SBendtrans-123.4155.5176-55.2-173.2175.1179.30110.8Y50 K51 E88 P151Y50-K53 WeakPolarHBondContact O-CB 3.13Å; Y50-K53 PolarHBondContact O-N 2.97Å; K51-K53 VanDerWaalsContact C-N 3.28Å; K53-E88 HydrophobicContact CD-CG 3.64Å; K53-E88 IonicContact NZ-OE1 3.28Å; K53-E88 PolarHBondContact NZ-OE1 3.45Å; K53-P151 WeakPolarHBondContact O-CA 3.29Å
54W98.8Very high98.4Very high8 Ų841.6 Ų41.63%0.0321%0.212CC..EExtended strand (participates in β ladder)trans-71.3147.1162.4-71.478.6000109.2N86 C87 E88 V148 I149 D150 P151 R156 V176 F179 Q180W54-N86 PolarHBondContact N-O 3.02Å; W54-C87 HydrophobicContact CB-CB 3.77Å; W54-C87 CarbonylContact O-C 3.5Å; W54-C87 WeakPolarHBondContact O-CA 3.49Å; W54-E88 PolarHBondContact O-N 3.19Å; W54-V148 HydrophobicContact CE3-CG1 3.76Å; W54-V148 HydrophobicContact CZ3-CG1 3.85Å; W54-I149 WeakPolarHBondContact CA-O 3.48Å; W54-D150 HydrophobicContact CD2-CB 4.49Å; W54-D150 HydrophobicContact CE3-CB 4.19Å; W54-D150 HydrophobicContact CH2-CB 3.58Å; W54-D150 HydrophobicContact CZ2-CB 3.97Å; W54-D150 HydrophobicContact CZ3-CB 3.74Å; W54-P151 HydrophobicContact CG-CG 4.44Å; W54-R156 HydrophobicContact CH2-CG 3.95Å; W54-R156 HydrophobicContact CZ3-CB 4.24Å; W54-R156 HydrophobicContact CZ3-CG 3.73Å; W54-V176 HydrophobicContact CB-CG1 4.3Å; W54-V176 HydrophobicContact CD2-CG1 4.25Å; W54-V176 HydrophobicContact CE3-CG1 4.34Å; W54-V176 HydrophobicContact CG-CG1 4.23Å; W54-F179 HydrophobicContact CH2-CB 3.34Å; W54-F179 HydrophobicContact CH2-CG 4.15Å; W54-F179 HydrophobicContact CZ2-CB 4.08Å; W54-F179 HydrophobicContact CZ3-CB 3.79Å; W54-F179 HydrophobicContact CZ3-CG 4.35Å; W54-Q180 HydrophobicContact CD2-CG 4.27Å; W54-Q180 HydrophobicContact CG-CG 4.5Å; W54-Q180 HydrophobicContact CZ2-CG 3.98Å
55L98.9Very high98.3Very high2 Ų239.1 Ų39.11%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-135129.1177.1169.964.3000109.7F32 L47 Y50 E88 I90 I149F32-L55 HydrophobicContact CE1-CD2 4.26Å; F32-L55 HydrophobicContact CZ-CD2 3.99Å; L47-L55 HydrophobicContact CD1-CD2 3.94Å; Y50-L55 HydrophobicContact CD1-CD1 3.95Å; Y50-L55 HydrophobicContact CD2-CD2 4.1Å; Y50-L55 HydrophobicContact CE1-CD1 4.14Å; Y50-L55 HydrophobicContact CG-CD1 4.2Å; Y50-L55 HydrophobicContact CG-CD2 4Å; Y50-L55 HydrophobicContact CG-CG 4.49Å; L55-E88 WeakPolarHBondContact CA-O 3.27Å; L55-E88 HydrophobicContact CD1-CB 4.38Å; L55-I90 HydrophobicContact CD1-CB 4.47Å; L55-I90 HydrophobicContact CD1-CD1 3.7Å; L55-I90 HydrophobicContact CD1-CG1 3.77Å; L55-I90 HydrophobicContact CD2-CD1 4.23Å; L55-I149 HydrophobicContact CB-CB 4.28Å; L55-I149 HydrophobicContact CD2-CD1 4.07Å; L55-I149 HydrophobicContact CG-CD1 4.45Å; L55-I149 PolarHBondContact N-O 3.2Å; L55-I149 PolarHBondContact O-N 2.9Å
56I98.9Very high97.9Very high0 Ų047.7 Ų47.70%024%0.24CC..EExtended strand (participates in β ladder)trans-100.2111.3160.4-55.3-173.5000108.3F58 F82 E88 L89 I90 L146 F147 V148 A172 V176I56-F58 HydrophobicContact CG2-CB 4.5Å; I56-F58 HydrophobicContact CG2-CD1 4.38Å; I56-F82 HydrophobicContact CD1-CD1 3.91Å; I56-F82 HydrophobicContact CD1-CE1 3.47Å; I56-F82 VanDerWaalsContact CD1-CE1 3.47Å; I56-F82 HydrophobicContact CD1-CZ 4.37Å; I56-E88 PolarHBondContact N-O 3.45Å; I56-L89 HydrophobicContact CB-CD2 3.65Å; I56-L89 HydrophobicContact CD1-CD2 3.87Å; I56-L89 HydrophobicContact CG1-CD2 3.97Å; I56-L89 HydrophobicContact CG2-CD2 4.4Å; I56-L89 CarbonylContact O-C 3.52Å; I56-L89 WeakPolarHBondContact O-CA 3.38Å; I56-I90 PolarHBondContact O-N 3.01Å; I56-L146 HydrophobicContact CG2-CD1 3.86Å; I56-L146 HydrophobicContact CG2-CD2 3.97Å; I56-L146 HydrophobicContact CG2-CG 3.66Å; I56-F147 WeakPolarHBondContact CA-O 3.22Å; I56-V148 HydrophobicContact CG1-CG2 4.37Å; I56-A172 HydrophobicContact CD1-CB 4.04Å; I56-V176 HydrophobicContact CD1-CG2 3.84Å; I56-V176 HydrophobicContact CG1-CG2 4.11Å
57L98.9Very high97.3Very high0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-97.2119.1166.5175.565.6000107.9F32 F59 I90 C92 M121 Y132 F147 I149F32-L57 HydrophobicContact CD1-CD2 4.08Å; F32-L57 HydrophobicContact CE1-CD2 3.88Å; L57-F59 HydrophobicContact CD2-CE2 3.73Å; L57-F59 HydrophobicContact CD2-CZ 3.8Å; L57-F59 HydrophobicContact CG-CE2 3.88Å; L57-F59 HydrophobicContact CG-CZ 4.23Å; L57-I90 HydrophobicContact CD1-CB 3.92Å; L57-I90 HydrophobicContact CD1-CG2 3.83Å; L57-C92 HydrophobicContact CD1-CB 4.13Å; L57-M121 HydrophobicContact CD1-CE 3.87Å; L57-Y132 HydrophobicContact CD2-CD1 4.3Å; L57-Y132 HydrophobicContact CD2-CD2 4.35Å; L57-Y132 HydrophobicContact CD2-CE1 3.73Å; L57-Y132 HydrophobicContact CD2-CE2 3.79Å; L57-Y132 VanDerWaalsContact CD2-CZ 3.42Å; L57-F147 PolarHBondContact N-O 3.29Å; L57-F147 PolarHBondContact O-N 3.4Å; L57-I149 HydrophobicContact CB-CD1 4.45Å
58F98.8Very high96.8Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-125.8126.5178.370.9-87.9000111.7I56 I72 F75 I90 A91 C92 I118 G145 L146I56-F58 HydrophobicContact CG2-CB 4.5Å; I56-F58 HydrophobicContact CG2-CD1 4.38Å; F58-I72 HydrophobicContact CE2-CG1 4Å; F58-I72 HydrophobicContact CZ-CG1 4.46Å; F58-F75 HydrophobicContact CD1-CD2 4.43Å; F58-F75 HydrophobicContact CE1-CB 4.12Å; F58-F75 HydrophobicContact CE1-CD2 4.07Å; F58-F75 HydrophobicContact CE1-CG 4.04Å; F58-F75 HydrophobicContact CE2-CD2 4.18Å; F58-F75 HydrophobicContact CZ-CB 4.03Å; F58-F75 AromaticContact CZ-CD2 3.92Å; F58-F75 HydrophobicContact CZ-CD2 3.92Å; F58-F75 HydrophobicContact CZ-CG 4.15Å; F58-I90 WeakPolarHBondContact CD1-O 3.07Å; F58-I90 PolarHBondContact N-O 2.92Å; F58-A91 HydrophobicContact CD2-CB 4.41Å; F58-A91 HydrophobicContact CE1-CB 4Å; F58-A91 HydrophobicContact CE2-CB 3.63Å; F58-A91 HydrophobicContact CZ-CB 3.4Å; F58-A91 CarbonylContact O-C 3.6Å; F58-A91 WeakPolarHBondContact O-CA 3.41Å; F58-C92 PolarHBondContact O-N 3.41Å; F58-I118 HydrophobicContact CE1-CD1 3.97Å; F58-I118 HydrophobicContact CZ-CD1 3.8Å; F58-G145 CarbonylContact C-O 3.49Å; F58-G145 WeakPolarHBondContact CA-O 3.15Å; F58-L146 HydrophobicContact CB-CB 4.17Å; F58-L146 HydrophobicContact CB-CD1 4.27Å; F58-L146 HydrophobicContact CB-CG 4.15Å
59F98.8Very high96.7Very high1 Ų141.9 Ų41.90%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-85.8146.8175-63-95.3000110.5L57 C92 I128 A129 Y132 V134 A142 G145 F147 R167L57-F59 HydrophobicContact CD2-CE2 3.73Å; L57-F59 HydrophobicContact CD2-CZ 3.8Å; L57-F59 HydrophobicContact CG-CE2 3.88Å; L57-F59 HydrophobicContact CG-CZ 4.23Å; F59-C92 CarbonylContact C-O 3.5Å; F59-C92 WeakPolarHBondContact CA-O 3.36Å; F59-C92 HydrophobicContact CD1-CB 3.97Å; F59-C92 HydrophobicContact CE1-CB 4.09Å; F59-I128 HydrophobicContact CE1-CB 4.44Å; F59-I128 HydrophobicContact CE1-CG2 3.93Å; F59-I128 HydrophobicContact CZ-CG2 3.77Å; F59-A129 HydrophobicContact CD1-CB 4.15Å; F59-A129 HydrophobicContact CE1-CB 4.06Å; F59-Y132 HydrophobicContact CE2-CD1 4.03Å; F59-Y132 HydrophobicContact CE2-CD2 4.28Å; F59-Y132 AromaticContact CE2-CG 3.77Å; F59-Y132 HydrophobicContact CE2-CG 3.77Å; F59-Y132 HydrophobicContact CZ-CD1 4.44Å; F59-Y132 AromaticContact CZ-CD2 3.88Å; F59-Y132 HydrophobicContact CZ-CD2 3.88Å; F59-Y132 AromaticContact CZ-CG 3.8Å; F59-Y132 HydrophobicContact CZ-CG 3.8Å; F59-V134 HydrophobicContact CB-CG2 4.19Å; F59-V134 HydrophobicContact CD1-CG2 4.05Å; F59-V134 HydrophobicContact CD2-CG2 3.83Å; F59-V134 HydrophobicContact CE1-CG2 4.39Å; F59-V134 HydrophobicContact CE2-CG2 4.2Å; F59-V134 HydrophobicContact CG-CG2 3.75Å; F59-V134 HydrophobicContact CZ-CG2 4.45Å; F59-A142 HydrophobicContact CB-CB 3.84Å; F59-A142 HydrophobicContact CD1-CB 4.19Å; F59-A142 HydrophobicContact CG-CB 4.36Å; F59-G145 PolarHBondContact N-O 3.04Å; F59-F147 HydrophobicContact CD2-CD2 4.07Å; F59-F147 AromaticContact CD2-CE2 3.82Å; F59-F147 HydrophobicContact CD2-CE2 3.82Å; F59-F147 AromaticContact CE2-CD2 3.88Å; F59-F147 HydrophobicContact CE2-CD2 3.88Å; F59-F147 AromaticContact CE2-CE2 3.73Å; F59-F147 HydrophobicContact CE2-CE2 3.73Å; F59-R167 VanDerWaalsContact O-CZ 3.27Å; F59-R167 PolarHBondContact O-NH1 2.88Å; F59-R167 PolarHBondContact O-NH2 2.94Å
60Y98.7Very high96.6Very high0 Ų042 Ų420%021%0.214CC..  trans-134.2155.5168.665.6-84.7000109.8D63 C68 I72 A91 C92 S93 H100 W103 V120Y60-D63 VanDerWaalsContact CE2-OD1 3.22Å; Y60-D63 WeakPolarHBondContact CE2-OD1 3.44Å; Y60-D63 PolarHBondContact OH-OD1 3.28Å; Y60-C68 HydrophobicContact CD2-CB 3.83Å; Y60-C68 HydrophobicContact CG-CB 4.46Å; Y60-I72 HydrophobicContact CD1-CD1 3.78Å; Y60-I72 HydrophobicContact CD1-CG1 4.19Å; Y60-I72 HydrophobicContact CD2-CD1 4.02Å; Y60-I72 HydrophobicContact CE1-CD1 3.6Å; Y60-I72 HydrophobicContact CE1-CG1 4.31Å; Y60-I72 HydrophobicContact CE2-CD1 3.83Å; Y60-I72 HydrophobicContact CG-CD1 3.98Å; Y60-A91 HydrophobicContact CD1-CB 4.32Å; Y60-A91 HydrophobicContact CE1-CB 4Å; Y60-C92 VanDerWaalsContact CD1-O 3.24Å; Y60-C92 WeakPolarHBondContact CD1-O 3.35Å; Y60-C92 VanDerWaalsContact CE1-C 3.5Å; Y60-C92 PolarHBondContact N-O 3.06Å; Y60-S93 VanDerWaalsContact CE2-CB 3.47Å; Y60-S93 VanDerWaalsContact CZ-CB 3.48Å; Y60-S93 WeakPolarHBondContact O-CB 3.37Å; Y60-S93 PolarHBondContact OH-OG 3.14Å; Y60-H100 PolarHBondContact OH-CE1 3.12Å; Y60-H100 PolarHBondContact OH-ND1 3.38Å; Y60-W103 HydrophobicContact CE2-CH2 4.35Å; Y60-W103 AromaticContact CE2-CZ3 3.71Å; Y60-W103 HydrophobicContact CE2-CZ3 3.71Å; Y60-V120 HydrophobicContact CE1-CG1 4.34Å; Y60-V120 WeakPolarHBondContact OH-CG1 3.43Å
61P97.8Very high96.6Very high10 Ų1041 Ų417%0.06521%0.21CC..SBendtrans-59.2-61.3-173.8-29.134.2000115.4C68 I141 A142 R144 L163P61-C68 VanDerWaalsContact CD-SG 3.6Å; P61-I141 HydrophobicContact CB-CD1 4.21Å; P61-A142 VanDerWaalsContact CA-O 3.24Å; P61-A142 WeakPolarHBondContact CA-O 3.44Å; P61-A142 WeakPolarHBondContact CG-O 3.25Å; P61-R144 HydrophobicContact CG-CG 4.36Å; P61-L163 HydrophobicContact CB-CD2 4.19Å; P61-L163 HydrophobicContact CG-CD2 3.53Å
62L97.9Very high96.6Very high62 Ų6232.5 Ų32.533%0.32517%0.173SC..  trans-154.9143.8-168.1-75.8172.7000111.4T65 C68 D95 I141L62-T65 HydrophobicContact CB-CG2 3.68Å; L62-T65 HydrophobicContact CD1-CG2 4.41Å; L62-T65 PolarHBondContact O-OG1 3.23Å; L62-C68 PolarHBondContact O-SG 3.4Å; L62-D95 WeakPolarHBondContact CA-OD2 3.32Å; L62-I141 HydrophobicContact CD1-CG2 3.94Å; L62-I141 HydrophobicContact CD2-CG2 3.66Å; L62-I141 HydrophobicContact CG-CG2 3.63Å
63D98.4Very high96.6Very high8 Ų831.7 Ų31.74%0.04316%0.158CC..THydrogen-bonded Turntrans-60157.7162.4-68.6-7.1000111.2Y60 T65 D95 S99 H100 W103Y60-D63 VanDerWaalsContact CE2-OD1 3.22Å; Y60-D63 WeakPolarHBondContact CE2-OD1 3.44Å; Y60-D63 PolarHBondContact OH-OD1 3.28Å; D63-T65 VanDerWaalsContact C-N 3.27Å; D63-T65 PolarHBondContact O-N 3.46Å; D63-D95 HydrophobicContact CB-CB 4.48Å; D63-D95 PolarHBondContact N-OD2 3.48Å; D63-S99 VanDerWaalsContact OD2-C 3.28Å; D63-S99 WeakPolarHBondContact OD2-CB 3.35Å; D63-S99 PolarHBondContact OD2-OG 3.07Å; D63-H100 IonicContact OD1-CE1 3.35Å; D63-H100 IonicContact OD1-ND1 2.75Å; D63-H100 PolarHBondContact OD1-ND1 3.32Å; D63-H100 VanDerWaalsContact OD1-ND1 3.16Å; D63-H100 IonicContact OD2-CE1 3.07Å; D63-H100 IonicContact OD2-CG 3.82Å; D63-H100 PolarHBondContact OD2-N 3.07Å; D63-H100 IonicContact OD2-ND1 2.8Å; D63-H100 PolarHBondContact OD2-ND1 3.42Å; D63-W103 HydrophobicContact CB-CD2 4.02Å; D63-W103 HydrophobicContact CB-CE3 3.73Å; D63-W103 HydrophobicContact CB-CG 4.44Å; D63-W103 HydrophobicContact CB-CZ3 4.19Å; D63-W103 WeakPolarHBondContact OD1-CZ3 3.35Å
64F97.9Very high96.6Very high109 Ų10929.8 Ų29.848%0.47816%0.156SC..THydrogen-bonded Turntrans56.734.3175.9-56-84000115A102 W103F64-A102 HydrophobicContact CZ-CB 4.14Å; F64-W103 AromaticContact CD1-CD1 3.41Å; F64-W103 VanDerWaalsContact CD1-CD1 3.41Å; F64-W103 HydrophobicContact CD1-CG 4.16Å; F64-W103 AromaticContact CD1-NE1 3.92Å; F64-W103 HydrophobicContact CD2-CB 4.42Å; F64-W103 HydrophobicContact CD2-CG 4.3Å; F64-W103 HydrophobicContact CE1-CB 4.01Å; F64-W103 AromaticContact CE1-CD1 3.38Å; F64-W103 AromaticContact CE1-CG 3.96Å; F64-W103 HydrophobicContact CE1-CG 3.96Å; F64-W103 HydrophobicContact CE2-CB 3.76Å; F64-W103 HydrophobicContact CE2-CG 4.1Å; F64-W103 AromaticContact CG-CD1 3.89Å; F64-W103 HydrophobicContact CG-CG 4.33Å; F64-W103 HydrophobicContact CZ-CB 3.53Å; F64-W103 AromaticContact CZ-CD1 3.83Å; F64-W103 AromaticContact CZ-CG 3.93Å; F64-W103 HydrophobicContact CZ-CG 3.93Å; F64-W103 VanDerWaalsContact N-CE2 3.32Å
65T94.8Very high96.6Very high42 Ų4229.4 Ų29.426%0.25816%0.155SC..SBendtrans-118.3-165174.861.20000111.9L62 D63 C68 P69L62-T65 HydrophobicContact CB-CG2 3.68Å; L62-T65 HydrophobicContact CD1-CG2 4.41Å; L62-T65 PolarHBondContact O-OG1 3.23Å; D63-T65 VanDerWaalsContact C-N 3.27Å; D63-T65 PolarHBondContact O-N 3.46Å; T65-C68 PolarHBondContact OG1-SG 3.08Å; T65-P69 VanDerWaalsContact O-CD 3.24Å; T65-P69 WeakPolarHBondContact O-CD 3.42Å; T65-P69 WeakPolarHBondContact O-CG 3.4Å
66F89.7Confident96.5Very high185 Ų18529.4 Ų29.481%0.81116%0.155SC*.SBendtrans-92.7-60.4-163.3-45.6-67.3000114.4P69F66-P69 WeakPolarHBondContact O-CD 3.47Å; F66-P69 WeakPolarHBondContact O-CG 3.43Å
67V87.1Confident96.5Very high37 Ų3734.3 Ų34.322%0.22418%0.177CC..Hα-helixtrans-80.4-33.9-176.5174.10000111.4T70 E71V67-T70 WeakPolarHBondContact O-CB 3.34Å; V67-T70 PolarHBondContact O-N 3Å; V67-T70 PolarHBondContact O-OG1 3.44Å; V67-E71 HydrophobicContact CG1-CG 4.27Å; V67-E71 PolarHBondContact O-N 2.99Å
68C88.6Confident96.5Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-50.5-49.4-178.2-54.10000114.8Y60 P61 L62 T65 T70 E71 I72 W103Y60-C68 HydrophobicContact CD2-CB 3.83Å; Y60-C68 HydrophobicContact CG-CB 4.46Å; P61-C68 VanDerWaalsContact CD-SG 3.6Å; L62-C68 PolarHBondContact O-SG 3.4Å; T65-C68 PolarHBondContact OG1-SG 3.08Å; C68-T70 VanDerWaalsContact C-N 3.26Å; C68-T70 PolarHBondContact O-N 3.32Å; C68-E71 PolarHBondContact O-N 2.72Å; C68-I72 WeakPolarHBondContact O-CG1 3.22Å; C68-I72 PolarHBondContact O-N 2.69Å; C68-W103 HydrophobicContact CB-CH2 3.87Å
69P95.1Very high96.5Very high11 Ų1137.1 Ų37.17%0.07119%0.189CC..Hα-helixtrans-62.9-35.8179.121.8-29.4000111.7T65 F66 E71 I72 I73 W103 L113T65-P69 VanDerWaalsContact O-CD 3.24Å; T65-P69 WeakPolarHBondContact O-CD 3.42Å; T65-P69 WeakPolarHBondContact O-CG 3.4Å; F66-P69 WeakPolarHBondContact O-CD 3.47Å; F66-P69 WeakPolarHBondContact O-CG 3.43Å; P69-E71 VanDerWaalsContact C-N 3.34Å; P69-E71 PolarHBondContact O-N 3.21Å; P69-I72 PolarHBondContact O-N 3.31Å; P69-I73 HydrophobicContact CB-CD1 4.27Å; P69-I73 WeakPolarHBondContact O-CB 3.27Å; P69-I73 WeakPolarHBondContact O-CD1 3.31Å; P69-I73 WeakPolarHBondContact O-CG1 3.26Å; P69-I73 PolarHBondContact O-N 3.13Å; P69-W103 HydrophobicContact CB-CH2 4.06Å; P69-W103 HydrophobicContact CB-CZ2 3.54Å; P69-W103 HydrophobicContact CG-CH2 4.45Å; P69-W103 HydrophobicContact CG-CZ2 3.83Å; P69-L113 HydrophobicContact CB-CD2 3.94Å
70T96.5Very high96.5Very high85 Ų8540.3 Ų40.352%0.52122%0.215SC..Hα-helixtrans-61.8-41.8-179.674.80000111.9V67 C68 A74V67-T70 WeakPolarHBondContact O-CB 3.34Å; V67-T70 PolarHBondContact O-N 3Å; V67-T70 PolarHBondContact O-OG1 3.44Å; C68-T70 VanDerWaalsContact C-N 3.26Å; C68-T70 PolarHBondContact O-N 3.32Å; T70-A74 VanDerWaalsContact O-CB 3.25Å; T70-A74 WeakPolarHBondContact O-CB 3.27Å; T70-A74 PolarHBondContact O-N 3.16Å
71E97.4Very high96.5Very high7 Ų744.1 Ų44.13%0.03323%0.233CC..Hα-helixtrans-67.7-49.7177.4-62.9-170.6113.600112V67 C68 P69 I73 A74 F75 R144 R167V67-E71 HydrophobicContact CG1-CG 4.27Å; V67-E71 PolarHBondContact O-N 2.99Å; C68-E71 PolarHBondContact O-N 2.72Å; P69-E71 VanDerWaalsContact C-N 3.34Å; P69-E71 PolarHBondContact O-N 3.21Å; E71-I73 VanDerWaalsContact C-N 3.34Å; E71-I73 PolarHBondContact O-N 3.05Å; E71-A74 PolarHBondContact O-N 3.03Å; E71-F75 WeakPolarHBondContact O-CD2 3.38Å; E71-F75 PolarHBondContact O-N 3.07Å; E71-R144 IonicContact OE2-CZ 2.72Å; E71-R144 IonicContact OE2-NH1 3.46Å; E71-R144 PolarHBondContact OE2-NH1 2.84Å; E71-R167 VanDerWaalsContact CD-NH2 3.32Å; E71-R167 WeakPolarHBondContact OE1-CB 3.44Å; E71-R167 IonicContact OE1-CZ 3.58Å; E71-R167 PolarHBondContact OE1-N 2.96Å; E71-R167 IonicContact OE1-NE 3.65Å; E71-R167 PolarHBondContact OE1-NE 3.14Å; E71-R167 IonicContact OE1-NH2 2.87Å; E71-R167 PolarHBondContact OE1-NH2 2.63Å; E71-R167 IonicContact OE2-CZ 3.58Å; E71-R167 IonicContact OE2-NE 3.57Å; E71-R167 IonicContact OE2-NH2 3.84Å; E71-R167 PolarHBondContact OE2-NH2 3.05Å
72I98.1Very high96.5Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-63.4-43.2-176.5-60.7163.6000110.2F58 Y60 C68 P69 S76 A91 W103 L113 M116 I118F58-I72 HydrophobicContact CE2-CG1 4Å; F58-I72 HydrophobicContact CZ-CG1 4.46Å; Y60-I72 HydrophobicContact CD1-CD1 3.78Å; Y60-I72 HydrophobicContact CD1-CG1 4.19Å; Y60-I72 HydrophobicContact CD2-CD1 4.02Å; Y60-I72 HydrophobicContact CE1-CD1 3.6Å; Y60-I72 HydrophobicContact CE1-CG1 4.31Å; Y60-I72 HydrophobicContact CE2-CD1 3.83Å; Y60-I72 HydrophobicContact CG-CD1 3.98Å; C68-I72 WeakPolarHBondContact O-CG1 3.22Å; C68-I72 PolarHBondContact O-N 2.69Å; P69-I72 PolarHBondContact O-N 3.31Å; I72-S76 WeakPolarHBondContact O-CB 3.39Å; I72-S76 PolarHBondContact O-N 3.17Å; I72-A91 HydrophobicContact CG1-CB 4.25Å; I72-A91 HydrophobicContact CG2-CB 4.38Å; I72-W103 HydrophobicContact CD1-CH2 3.79Å; I72-W103 HydrophobicContact CD1-CZ3 3.45Å; I72-W103 VanDerWaalsContact CD1-CZ3 3.45Å; I72-L113 HydrophobicContact CB-CD2 3.97Å; I72-L113 HydrophobicContact CD1-CD1 4.4Å; I72-L113 HydrophobicContact CD1-CD2 4.11Å; I72-L113 HydrophobicContact CG2-CD1 4.07Å; I72-L113 HydrophobicContact CG2-CD2 4Å; I72-M116 HydrophobicContact CG2-SD 3.68Å; I72-I118 HydrophobicContact CG2-CD1 4.39Å
73I98.3Very high96.6Very high25 Ų2545.7 Ų45.713%0.12824%0.237CC..Hα-helixtrans-61.4-48.7175.8-70.6164.7000110.4P69 E71 F75 S76 E77 R108 L113 M116P69-I73 HydrophobicContact CB-CD1 4.27Å; P69-I73 WeakPolarHBondContact O-CB 3.27Å; P69-I73 WeakPolarHBondContact O-CD1 3.31Å; P69-I73 WeakPolarHBondContact O-CG1 3.26Å; P69-I73 PolarHBondContact O-N 3.13Å; E71-I73 VanDerWaalsContact C-N 3.34Å; E71-I73 PolarHBondContact O-N 3.05Å; I73-F75 PolarHBondContact O-N 2.91Å; I73-S76 WeakPolarHBondContact O-CB 3.42Å; I73-S76 PolarHBondContact O-N 3.42Å; I73-S76 VanDerWaalsContact O-N 3.13Å; I73-E77 HydrophobicContact CG2-CG 4.16Å; I73-E77 WeakPolarHBondContact O-CB 3.4Å; I73-E77 WeakPolarHBondContact O-CG 3.49Å; I73-E77 PolarHBondContact O-N 2.91Å; I73-R108 HydrophobicContact CD1-CG 3.9Å; I73-R108 VanDerWaalsContact CG2-CZ 3.49Å; I73-L113 HydrophobicContact CG1-CD2 4.3Å; I73-M116 HydrophobicContact CG1-CE 4.11Å
74A98.5Very high96.6Very high33 Ų3349.5 Ų49.527%0.27327%0.269SS..Hα-helixtrans-61.1-42.5-177.800000112.5T70 E71 R78 V169T70-A74 VanDerWaalsContact O-CB 3.25Å; T70-A74 WeakPolarHBondContact O-CB 3.27Å; T70-A74 PolarHBondContact O-N 3.16Å; E71-A74 PolarHBondContact O-N 3.03Å; A74-R78 WeakPolarHBondContact O-CB 3.36Å; A74-R78 PolarHBondContact O-N 3.49Å; A74-V169 HydrophobicContact CB-CG2 3.69Å
75F98.7Very high96.6Very high1 Ų146.1 Ų46.10%0.00426%0.256CS..Hα-helixtrans-67.2-40.7173.2-84.9-70.3000112.4F58 E71 I73 R78 S79 F82 L89 I118 L146 V169 A172F58-F75 HydrophobicContact CD1-CD2 4.43Å; F58-F75 HydrophobicContact CE1-CB 4.12Å; F58-F75 HydrophobicContact CE1-CD2 4.07Å; F58-F75 HydrophobicContact CE1-CG 4.04Å; F58-F75 HydrophobicContact CE2-CD2 4.18Å; F58-F75 HydrophobicContact CZ-CB 4.03Å; F58-F75 AromaticContact CZ-CD2 3.92Å; F58-F75 HydrophobicContact CZ-CD2 3.92Å; F58-F75 HydrophobicContact CZ-CG 4.15Å; E71-F75 WeakPolarHBondContact O-CD2 3.38Å; E71-F75 PolarHBondContact O-N 3.07Å; I73-F75 PolarHBondContact O-N 2.91Å; F75-R78 CarbonylContact O-C 3.46Å; F75-R78 PolarHBondContact O-N 3.37Å; F75-S79 WeakPolarHBondContact O-CA 3.34Å; F75-S79 PolarHBondContact O-N 2.92Å; F75-F82 HydrophobicContact CD1-CE2 4.09Å; F75-F82 HydrophobicContact CD1-CZ 4.07Å; F75-F82 HydrophobicContact CE1-CE2 4.37Å; F75-F82 AromaticContact CE1-CZ 3.89Å; F75-F82 HydrophobicContact CE1-CZ 3.89Å; F75-L89 HydrophobicContact CB-CD1 4.19Å; F75-L89 HydrophobicContact CD1-CD1 4.07Å; F75-L89 HydrophobicContact CD1-CD2 4.13Å; F75-L89 WeakPolarHBondContact O-CD1 3.43Å; F75-I118 HydrophobicContact CB-CD1 4.2Å; F75-L146 HydrophobicContact CE2-CD1 4.34Å; F75-L146 HydrophobicContact CZ-CD1 3.73Å; F75-V169 HydrophobicContact CD1-CG1 4.04Å; F75-V169 HydrophobicContact CD1-CG2 4.15Å; F75-V169 HydrophobicContact CD2-CG2 4.02Å; F75-V169 HydrophobicContact CE1-CB 4.4Å; F75-V169 HydrophobicContact CE1-CG1 4.07Å; F75-V169 HydrophobicContact CE1-CG2 4.16Å; F75-V169 HydrophobicContact CE2-CG2 4.01Å; F75-V169 HydrophobicContact CG-CG2 4.07Å; F75-V169 HydrophobicContact CZ-CG2 4.08Å; F75-A172 HydrophobicContact CE1-CB 3.81Å; F75-A172 HydrophobicContact CZ-CB 3.86Å
76S98.5Very high96.8Very high1 Ų147.8 Ų47.81%0.00726%0.263CS..Hα-helixtrans-62.6-47.8179.2179.90000111.8I72 I73 R78 S79 K117I72-S76 WeakPolarHBondContact O-CB 3.39Å; I72-S76 PolarHBondContact O-N 3.17Å; I73-S76 WeakPolarHBondContact O-CB 3.42Å; I73-S76 PolarHBondContact O-N 3.42Å; I73-S76 VanDerWaalsContact O-N 3.13Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 2.97Å; S76-S79 VanDerWaalsContact O-CB 3.25Å; S76-S79 WeakPolarHBondContact O-CB 3.47Å; S76-S79 PolarHBondContact O-N 3.18Å; S76-S79 PolarHBondContact O-OG 2.93Å; S76-K117 PolarHBondContact OG-N 2.78Å
77E98.4Very high97.2Very high103 Ų10339 Ų3948%0.48122%0.224SC..Hα-helixtrans-62.3-38.4179.5-73.2-175.5154.300112.6I73 R108I73-E77 HydrophobicContact CG2-CG 4.16Å; I73-E77 WeakPolarHBondContact O-CB 3.4Å; I73-E77 WeakPolarHBondContact O-CG 3.49Å; I73-E77 PolarHBondContact O-N 2.91Å; E77-R108 IonicContact OE1-CZ 3.62Å; E77-R108 IonicContact OE1-NH1 3.55Å; E77-R108 PolarHBondContact OE1-NH1 2.98Å; E77-R108 IonicContact OE1-NH2 3.6Å
78R98.6Very high97.8Very high54 Ų5439.2 Ų39.220%0.20422%0.223CC..THydrogen-bonded Turntrans-92.35.6-179.9-64-175.161.9-174.11.6114.2A74 F75 S76 A80 E81 F82 V169 D170A74-R78 WeakPolarHBondContact O-CB 3.36Å; A74-R78 PolarHBondContact O-N 3.49Å; F75-R78 CarbonylContact O-C 3.46Å; F75-R78 PolarHBondContact O-N 3.37Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 2.97Å; R78-A80 PolarHBondContact O-N 3.49Å; R78-E81 WeakPolarHBondContact CB-OE1 3.45Å; R78-E81 VanDerWaalsContact CG-OE1 3.29Å; R78-E81 WeakPolarHBondContact CG-OE1 3.38Å; R78-E81 IonicContact CZ-OE1 2.69Å; R78-E81 IonicContact CZ-OE2 2.64Å; R78-E81 IonicContact NE-OE1 3.25Å; R78-E81 PolarHBondContact NE-OE1 2.9Å; R78-E81 IonicContact NE-OE2 3.53Å; R78-E81 PolarHBondContact NE-OE2 3.11Å; R78-E81 IonicContact NH2-OE1 3.4Å; R78-E81 IonicContact NH2-OE2 2.75Å; R78-E81 PolarHBondContact NH2-OE2 3.38Å; R78-E81 WeakPolarHBondContact O-CB 3.36Å; R78-E81 PolarHBondContact O-N 3.4Å; R78-F82 HydrophobicContact CB-CE2 4.48Å; R78-F82 WeakPolarHBondContact O-CD2 3.39Å; R78-V169 HydrophobicContact CB-CG1 4.19Å; R78-D170 IonicContact CZ-OD1 3.43Å; R78-D170 IonicContact NH1-OD1 3.7Å; R78-D170 PolarHBondContact NH1-OD1 3.06Å; R78-D170 IonicContact NH1-OD2 2.82Å; R78-D170 PolarHBondContact NH1-OD2 2.91Å; R78-D170 IonicContact NH2-OD1 3.66Å; R78-D170 PolarHBondContact NH2-OD1 3.41Å
79S98.5Very high98.3Very high5 Ų539.4 Ų39.44%0.03522%0.224CC..Hα-helixtrans-56.1-25.7-177.459.70000114.3F75 S76 F82 K83 K117F75-S79 WeakPolarHBondContact O-CA 3.34Å; F75-S79 PolarHBondContact O-N 2.92Å; S76-S79 VanDerWaalsContact O-CB 3.25Å; S76-S79 WeakPolarHBondContact O-CB 3.47Å; S76-S79 PolarHBondContact O-N 3.18Å; S76-S79 PolarHBondContact O-OG 2.93Å; S79-F82 PolarHBondContact O-N 3.25Å; S79-K83 WeakPolarHBondContact O-CG 3.27Å; S79-K83 PolarHBondContact O-N 2.95Å; S79-K117 WeakPolarHBondContact OG-CB 3.19Å
80A98.7Very high98.4Very high68 Ų6838.9 Ų38.956%0.56222%0.221SC*.Hα-helixtrans-65.5-35.6174.400000113.3R78 K83 A84R78-A80 PolarHBondContact O-N 3.49Å; A80-K83 PolarHBondContact O-N 3.19Å; A80-A84 WeakPolarHBondContact O-CB 3.41Å; A80-A84 PolarHBondContact O-N 3Å
81E98.7Very high98.6Very high80 Ų8034.9 Ų34.937%0.37420%0.196SC..Hα-helixtrans-65-41.4176.6-65.8170.5-112.500111.1R78 A84 L173R78-E81 WeakPolarHBondContact CB-OE1 3.45Å; R78-E81 VanDerWaalsContact CG-OE1 3.29Å; R78-E81 WeakPolarHBondContact CG-OE1 3.38Å; R78-E81 IonicContact CZ-OE1 2.69Å; R78-E81 IonicContact CZ-OE2 2.64Å; R78-E81 IonicContact NE-OE1 3.25Å; R78-E81 PolarHBondContact NE-OE1 2.9Å; R78-E81 IonicContact NE-OE2 3.53Å; R78-E81 PolarHBondContact NE-OE2 3.11Å; R78-E81 IonicContact NH2-OE1 3.4Å; R78-E81 IonicContact NH2-OE2 2.75Å; R78-E81 PolarHBondContact NH2-OE2 3.38Å; R78-E81 WeakPolarHBondContact O-CB 3.36Å; R78-E81 PolarHBondContact O-N 3.4Å; E81-A84 PolarHBondContact O-N 3.34Å; E81-L173 HydrophobicContact CB-CD1 4.38Å; E81-L173 HydrophobicContact CB-CD2 4.2Å; E81-L173 WeakPolarHBondContact OE2-CD2 3.48Å
82F98.8Very high98.6Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-67.4-44.3175.6-66.9-88000111.6I56 F75 R78 S79 A84 I85 N86 C87 L89 V169 A172 L173I56-F82 HydrophobicContact CD1-CD1 3.91Å; I56-F82 HydrophobicContact CD1-CE1 3.47Å; I56-F82 VanDerWaalsContact CD1-CE1 3.47Å; I56-F82 HydrophobicContact CD1-CZ 4.37Å; F75-F82 HydrophobicContact CD1-CE2 4.09Å; F75-F82 HydrophobicContact CD1-CZ 4.07Å; F75-F82 HydrophobicContact CE1-CE2 4.37Å; F75-F82 AromaticContact CE1-CZ 3.89Å; F75-F82 HydrophobicContact CE1-CZ 3.89Å; R78-F82 HydrophobicContact CB-CE2 4.48Å; R78-F82 WeakPolarHBondContact O-CD2 3.39Å; S79-F82 PolarHBondContact O-N 3.25Å; F82-A84 VanDerWaalsContact C-N 3.28Å; F82-A84 PolarHBondContact O-N 3.44Å; F82-I85 CarbonylContact O-C 3.6Å; F82-I85 WeakPolarHBondContact O-CG1 3.33Å; F82-I85 PolarHBondContact O-N 2.74Å; F82-I85 VanDerWaalsContact O-N 3.09Å; F82-N86 PolarHBondContact O-N 3.32Å; F82-C87 CarbonylContact C-O 3.51Å; F82-C87 HydrophobicContact CB-CB 4.1Å; F82-C87 WeakPolarHBondContact CB-O 3.37Å; F82-C87 HydrophobicContact CD1-CB 4.43Å; F82-C87 WeakPolarHBondContact O-CA 3.38Å; F82-C87 WeakPolarHBondContact O-CB 3.3Å; F82-C87 PolarHBondContact O-N 2.93Å; F82-C87 VanDerWaalsContact O-O 3.12Å; F82-L89 HydrophobicContact CB-CD1 4.32Å; F82-L89 HydrophobicContact CB-CD2 4.28Å; F82-L89 HydrophobicContact CB-CG 4.22Å; F82-L89 HydrophobicContact CD1-CD2 3.82Å; F82-L89 HydrophobicContact CD2-CD1 3.71Å; F82-L89 HydrophobicContact CD2-CD2 4.15Å; F82-L89 HydrophobicContact CD2-CG 4.31Å; F82-L89 HydrophobicContact CE1-CD2 4.16Å; F82-L89 HydrophobicContact CE2-CD1 4.21Å; F82-L89 HydrophobicContact CE2-CD2 4.47Å; F82-L89 HydrophobicContact CG-CD1 4.03Å; F82-L89 HydrophobicContact CG-CD2 3.81Å; F82-L89 HydrophobicContact CG-CG 4.13Å; F82-L89 HydrophobicContact CZ-CD2 4.47Å; F82-V169 HydrophobicContact CE2-CG1 3.7Å; F82-V169 HydrophobicContact CZ-CG1 3.83Å; F82-A172 HydrophobicContact CE1-CB 4.49Å; F82-A172 HydrophobicContact CZ-CB 4.42Å; F82-L173 HydrophobicContact CD1-CD1 3.85Å; F82-L173 HydrophobicContact CD2-CD1 4.45Å; F82-L173 HydrophobicContact CE1-CB 3.97Å; F82-L173 HydrophobicContact CE1-CD1 3.8Å; F82-L173 HydrophobicContact CE2-CD1 4.43Å; F82-L173 HydrophobicContact CG-CD1 4.19Å; F82-L173 HydrophobicContact CZ-CB 3.87Å; F82-L173 HydrophobicContact CZ-CD1 4.11Å
83K98.6Very high98.7Very high106 Ų10634.6 Ų34.646%0.46120%0.195SC..Hα-helixtrans-60.8-37.2176.6-74.9175.6-177.6172.10112.3S79 A80 I85 N86 C87S79-K83 WeakPolarHBondContact O-CG 3.27Å; S79-K83 PolarHBondContact O-N 2.95Å; A80-K83 PolarHBondContact O-N 3.19Å; K83-I85 PolarHBondContact O-N 3.29Å; K83-N86 PolarHBondContact O-N 3.46Å; K83-C87 PolarHBondContact N-O 3.44Å
84A98.6Very high98.7Very high87 Ų8733.8 Ų33.872%0.71919%0.191SC*.Hα-helixtrans-60.8-25.1177.400000113.2A80 E81 F82A80-A84 WeakPolarHBondContact O-CB 3.41Å; A80-A84 PolarHBondContact O-N 3Å; E81-A84 PolarHBondContact O-N 3.34Å; F82-A84 VanDerWaalsContact C-N 3.28Å; F82-A84 PolarHBondContact O-N 3.44Å
85I98.5Very high98.7Very high39 Ų3933.5 Ų33.520%0.219%0.185CC..THydrogen-bonded Turntrans-105.325.2175.466.1171.1000112.6F82 K83 C87 L173 V176 M177 Q180F82-I85 CarbonylContact O-C 3.6Å; F82-I85 WeakPolarHBondContact O-CG1 3.33Å; F82-I85 PolarHBondContact O-N 2.74Å; F82-I85 VanDerWaalsContact O-N 3.09Å; K83-I85 PolarHBondContact O-N 3.29Å; I85-C87 VanDerWaalsContact C-N 3.27Å; I85-C87 HydrophobicContact CG1-CB 4.1Å; I85-C87 PolarHBondContact O-N 2.91Å; I85-L173 HydrophobicContact CD1-CD1 3.71Å; I85-V176 HydrophobicContact CD1-CB 4.14Å; I85-V176 HydrophobicContact CD1-CG1 3.63Å; I85-V176 HydrophobicContact CG1-CG1 4.44Å; I85-M177 HydrophobicContact CD1-CG 3.78Å; I85-Q180 PolarHBondContact O-NE2 2.95Å
86N98.7Very high98.7Very high76 Ų7634.9 Ų34.941%0.40620%0.195SC..THydrogen-bonded Turntrans55.838.4-179.4-168.341.8000113.6G52 W54 F82 K83G52-N86 PolarHBondContact O-ND2 3.36Å; G52-N86 VanDerWaalsContact O-ND2 3.13Å; W54-N86 PolarHBondContact N-O 3.02Å; F82-N86 PolarHBondContact O-N 3.32Å; K83-N86 PolarHBondContact O-N 3.46Å
87C98.9Very high98.7Very high1 Ų136.9 Ų36.91%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-117.5129.4175.2-172.20000111.1W54 F82 K83 I85 V176W54-C87 HydrophobicContact CB-CB 3.77Å; W54-C87 CarbonylContact O-C 3.5Å; W54-C87 WeakPolarHBondContact O-CA 3.49Å; F82-C87 CarbonylContact C-O 3.51Å; F82-C87 HydrophobicContact CB-CB 4.1Å; F82-C87 WeakPolarHBondContact CB-O 3.37Å; F82-C87 HydrophobicContact CD1-CB 4.43Å; F82-C87 WeakPolarHBondContact O-CA 3.38Å; F82-C87 WeakPolarHBondContact O-CB 3.3Å; F82-C87 PolarHBondContact O-N 2.93Å; F82-C87 VanDerWaalsContact O-O 3.12Å; K83-C87 PolarHBondContact N-O 3.44Å; I85-C87 VanDerWaalsContact C-N 3.27Å; I85-C87 HydrophobicContact CG1-CB 4.1Å; I85-C87 PolarHBondContact O-N 2.91Å; C87-V176 HydrophobicContact CB-CG1 4.1Å
88E98.8Very high98.7Very high41 Ų4138.3 Ų38.319%0.19221%0.209CC..EExtended strand (participates in β ladder)trans-100.4161.6173-59-71.5-179.300110.5Y50 K53 W54 L55 I56Y50-E88 HydrophobicContact CD1-CB 3.61Å; Y50-E88 HydrophobicContact CD1-CG 3.82Å; Y50-E88 HydrophobicContact CE1-CB 3.63Å; Y50-E88 HydrophobicContact CE1-CG 3.99Å; K53-E88 HydrophobicContact CD-CG 3.64Å; K53-E88 IonicContact NZ-OE1 3.28Å; K53-E88 PolarHBondContact NZ-OE1 3.45Å; W54-E88 PolarHBondContact O-N 3.19Å; L55-E88 WeakPolarHBondContact CA-O 3.27Å; L55-E88 HydrophobicContact CD1-CB 4.38Å; I56-E88 PolarHBondContact N-O 3.45Å
89L98.8Very high98.7Very high5 Ų537.1 Ų37.13%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-127.1141.6-178.7-58174.8000109.4I56 F75 F82 I118 P119I56-L89 HydrophobicContact CB-CD2 3.65Å; I56-L89 HydrophobicContact CD1-CD2 3.87Å; I56-L89 HydrophobicContact CG1-CD2 3.97Å; I56-L89 HydrophobicContact CG2-CD2 4.4Å; I56-L89 CarbonylContact O-C 3.52Å; I56-L89 WeakPolarHBondContact O-CA 3.38Å; F75-L89 HydrophobicContact CB-CD1 4.19Å; F75-L89 HydrophobicContact CD1-CD1 4.07Å; F75-L89 HydrophobicContact CD1-CD2 4.13Å; F75-L89 WeakPolarHBondContact O-CD1 3.43Å; F82-L89 HydrophobicContact CB-CD1 4.32Å; F82-L89 HydrophobicContact CB-CD2 4.28Å; F82-L89 HydrophobicContact CB-CG 4.22Å; F82-L89 HydrophobicContact CD1-CD2 3.82Å; F82-L89 HydrophobicContact CD2-CD1 3.71Å; F82-L89 HydrophobicContact CD2-CD2 4.15Å; F82-L89 HydrophobicContact CD2-CG 4.31Å; F82-L89 HydrophobicContact CE1-CD2 4.16Å; F82-L89 HydrophobicContact CE2-CD1 4.21Å; F82-L89 HydrophobicContact CE2-CD2 4.47Å; F82-L89 HydrophobicContact CG-CD1 4.03Å; F82-L89 HydrophobicContact CG-CD2 3.81Å; F82-L89 HydrophobicContact CG-CG 4.13Å; F82-L89 HydrophobicContact CZ-CD2 4.47Å; L89-I118 HydrophobicContact CB-CB 4.31Å; L89-I118 HydrophobicContact CB-CG2 3.76Å; L89-I118 HydrophobicContact CD1-CG2 3.91Å; L89-I118 HydrophobicContact CG-CG2 4.41Å; L89-P119 WeakPolarHBondContact O-CD 3.46Å
90I98.8Very high98.7Very high0 Ų036.9 Ų36.90%021%0.207CC..EExtended strand (participates in β ladder)trans-136.7125.1169.7-58.2170.5000108.8F32 Y50 L55 I56 L57 F58 M121F32-I90 HydrophobicContact CE2-CD1 4.11Å; F32-I90 HydrophobicContact CZ-CD1 3.88Å; Y50-I90 HydrophobicContact CD2-CD1 4.13Å; Y50-I90 HydrophobicContact CE1-CD1 4.1Å; Y50-I90 HydrophobicContact CE1-CG1 4.29Å; Y50-I90 HydrophobicContact CE2-CD1 3.36Å; Y50-I90 HydrophobicContact CE2-CG1 4.33Å; Y50-I90 VanDerWaalsContact OH-CD1 3.29Å; Y50-I90 WeakPolarHBondContact OH-CD1 3.49Å; Y50-I90 WeakPolarHBondContact OH-CG1 3.29Å; L55-I90 HydrophobicContact CD1-CB 4.47Å; L55-I90 HydrophobicContact CD1-CD1 3.7Å; L55-I90 HydrophobicContact CD1-CG1 3.77Å; L55-I90 HydrophobicContact CD2-CD1 4.23Å; I56-I90 PolarHBondContact O-N 3.01Å; L57-I90 HydrophobicContact CD1-CB 3.92Å; L57-I90 HydrophobicContact CD1-CG2 3.83Å; F58-I90 WeakPolarHBondContact CD1-O 3.07Å; F58-I90 PolarHBondContact N-O 2.92Å; I90-M121 HydrophobicContact CG2-CB 3.81Å; I90-M121 HydrophobicContact CG2-CE 4.31Å
91A98.9Very high98.7Very high0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-86.9142.1166.500000109.4F58 Y60 I72 I118 P119 V120 M121F58-A91 HydrophobicContact CD2-CB 4.41Å; F58-A91 HydrophobicContact CE1-CB 4Å; F58-A91 HydrophobicContact CE2-CB 3.63Å; F58-A91 HydrophobicContact CZ-CB 3.4Å; F58-A91 CarbonylContact O-C 3.6Å; F58-A91 WeakPolarHBondContact O-CA 3.41Å; Y60-A91 HydrophobicContact CD1-CB 4.32Å; Y60-A91 HydrophobicContact CE1-CB 4Å; I72-A91 HydrophobicContact CG1-CB 4.25Å; I72-A91 HydrophobicContact CG2-CB 4.38Å; A91-I118 HydrophobicContact CB-CD1 4.35Å; A91-P119 PolarHBondContact N-O 3.4Å; A91-V120 HydrophobicContact CB-CG1 4.46Å; A91-M121 PolarHBondContact O-N 2.89Å
92C98.9Very high98.7Very high0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-141.9137.5177-175.50000112.4L57 F58 F59 Y60 M121L57-C92 HydrophobicContact CD1-CB 4.13Å; F58-C92 PolarHBondContact O-N 3.41Å; F59-C92 CarbonylContact C-O 3.5Å; F59-C92 WeakPolarHBondContact CA-O 3.36Å; F59-C92 HydrophobicContact CD1-CB 3.97Å; F59-C92 HydrophobicContact CE1-CB 4.09Å; Y60-C92 VanDerWaalsContact CD1-O 3.24Å; Y60-C92 WeakPolarHBondContact CD1-O 3.35Å; Y60-C92 VanDerWaalsContact CE1-C 3.5Å; Y60-C92 PolarHBondContact N-O 3.06Å; C92-M121 VanDerWaalsContact CA-O 3.27Å; C92-M121 WeakPolarHBondContact CA-O 3.38Å; C92-M121 HydrophobicContact CB-CB 4.29Å; C92-M121 HydrophobicContact CB-CE 3.82Å; C92-M121 VanDerWaalsContact SG-CE 3.52Å; C92-M121 PolarHBondContact SG-O 3.29Å
93S98.8Very high98.6Very high1 Ų134.1 Ų34.11%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-138.2177.7164.877.90000110.3Y60 D95 H100 M121 D123Y60-S93 VanDerWaalsContact CE2-CB 3.47Å; Y60-S93 VanDerWaalsContact CZ-CB 3.48Å; Y60-S93 WeakPolarHBondContact O-CB 3.37Å; Y60-S93 PolarHBondContact OH-OG 3.14Å; S93-D95 PolarHBondContact O-N 3.36Å; S93-D95 WeakPolarHBondContact OG-CB 3.34Å; S93-D95 PolarHBondContact OG-N 3.41Å; S93-D95 PolarHBondContact OG-OD2 2.88Å; S93-H100 PolarHBondContact OG-CE1 2.8Å; S93-H100 VanDerWaalsContact OG-CE1 3.31Å; S93-M121 PolarHBondContact N-O 2.78Å; S93-D123 WeakPolarHBondContact O-CA 3.14Å; S93-D123 WeakPolarHBondContact O-CB 3.27Å; S93-D123 PolarHBondContact O-N 2.82Å
94T98.7Very high98.6Very high9 Ų929.6 Ų29.66%0.05517%0.172CC..SBendtrans-804.1176.951.90000113.6D123 K126 A129 L135 G140T94-D123 WeakPolarHBondContact CA-O 3.34Å; T94-K126 HydrophobicContact CG2-CB 4.4Å; T94-K126 HydrophobicContact CG2-CG 3.83Å; T94-A129 HydrophobicContact CG2-CB 4.37Å; T94-L135 HydrophobicContact CG2-CD1 4.1Å; T94-G140 PolarHBondContact OG1-O 3.46Å; T94-G140 VanDerWaalsContact OG1-O 3.1Å
95D98.8Very high98.6Very high27 Ų2729.6 Ų29.614%0.14417%0.166CC..SBendtrans-73.6167.9176.2-59.9-72.9000111.6L62 D63 S93 A122L62-D95 WeakPolarHBondContact CA-OD2 3.32Å; D63-D95 HydrophobicContact CB-CB 4.48Å; D63-D95 PolarHBondContact N-OD2 3.48Å; S93-D95 PolarHBondContact O-N 3.36Å; S93-D95 WeakPolarHBondContact OG-CB 3.34Å; S93-D95 PolarHBondContact OG-N 3.41Å; S93-D95 PolarHBondContact OG-OD2 2.88Å; D95-A122 WeakPolarHBondContact O-CA 3.43Å; D95-A122 VanDerWaalsContact O-CB 3.26Å; D95-A122 WeakPolarHBondContact O-CB 3.34Å
96S98.6Very high98.5Very high30 Ų3029.2 Ų29.221%0.2117%0.166CC..  trans-83.2156.1175.773.50000111.6F98 S99 H100S96-F98 PolarHBondContact O-N 3.25Å; S96-F98 VanDerWaalsContact O-N 3.16Å; S96-S99 WeakPolarHBondContact O-CB 3.35Å; S96-S99 PolarHBondContact O-N 2.88Å; S96-S99 PolarHBondContact OG-N 3.43Å; S96-S99 VanDerWaalsContact OG-N 3.17Å; S96-H100 PolarHBondContact O-N 3.41Å
97H98.4Very high98.5Very high43 Ų4328.2 Ų28.220%0.19916%0.163CC..Hα-helixtrans-62-23.2173.754.7-83.7000112.7Q35 V37 F42 L101 A122Q35-H97 HydrophobicContact CB-CB 4.21Å; V37-H97 HydrophobicContact CG2-CB 4.33Å; V37-H97 VanDerWaalsContact CG2-O 3.27Å; V37-H97 WeakPolarHBondContact CG2-O 3.45Å; F42-H97 HydrophobicContact CD1-CB 4.23Å; F42-H97 AromaticContact CD1-CD2 3.82Å; F42-H97 AromaticContact CD2-CD2 3.91Å; F42-H97 HydrophobicContact CE1-CB 4.3Å; F42-H97 AromaticContact CE1-CD2 3.81Å; F42-H97 WeakPolarHBondContact CE1-O 3.43Å; F42-H97 AromaticContact CE2-CD2 3.91Å; F42-H97 AromaticContact CG-CD2 3.87Å; F42-H97 AromaticContact CZ-CD2 3.87Å; H97-L101 PolarHBondContact O-N 2.77Å; H97-L101 VanDerWaalsContact O-N 3.08Å; H97-A122 HydrophobicContact CB-CB 4.05Å
98F98.5Very high98.4Very high133 Ų13332.7 Ų32.758%0.58318%0.18SC*.Hα-helixtrans-69.4-42.4170.5-61-73000112.3F42 S96 L101 A102F42-F98 HydrophobicContact CE2-CD1 4.04Å; F42-F98 AromaticContact CE2-CE1 3.74Å; F42-F98 HydrophobicContact CE2-CE1 3.74Å; F42-F98 AromaticContact CZ-CD1 3.8Å; F42-F98 HydrophobicContact CZ-CD1 3.8Å; F42-F98 HydrophobicContact CZ-CE1 4.01Å; S96-F98 PolarHBondContact O-N 3.25Å; S96-F98 VanDerWaalsContact O-N 3.16Å; F98-L101 PolarHBondContact O-N 3.5Å; F98-A102 PolarHBondContact O-N 2.94Å
99S98.5Very high98.3Very high28 Ų2839.3 Ų39.320%0.19621%0.208CC..Hα-helixtrans-60.2-47.7173.7179.70000110.7D63 S96 L101 A102 W103D63-S99 VanDerWaalsContact OD2-C 3.28Å; D63-S99 WeakPolarHBondContact OD2-CB 3.35Å; D63-S99 PolarHBondContact OD2-OG 3.07Å; S96-S99 WeakPolarHBondContact O-CB 3.35Å; S96-S99 PolarHBondContact O-N 2.88Å; S96-S99 PolarHBondContact OG-N 3.43Å; S96-S99 VanDerWaalsContact OG-N 3.17Å; S99-L101 VanDerWaalsContact C-N 3.32Å; S99-L101 PolarHBondContact O-N 3.16Å; S99-A102 PolarHBondContact O-N 3.28Å; S99-W103 WeakPolarHBondContact O-CB 3.42Å; S99-W103 PolarHBondContact O-N 3.37Å
100H98.6Very high98.2Very high0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-56.1-45.8176.4-63.6-21.4000112.2V37 Y60 D63 S93 S96 W103 I104 V120 M121 A122V37-H100 HydrophobicContact CB-CB 4.43Å; V37-H100 HydrophobicContact CG2-CB 3.58Å; Y60-H100 PolarHBondContact OH-CE1 3.12Å; Y60-H100 PolarHBondContact OH-ND1 3.38Å; D63-H100 IonicContact OD1-CE1 3.35Å; D63-H100 IonicContact OD1-ND1 2.75Å; D63-H100 PolarHBondContact OD1-ND1 3.32Å; D63-H100 VanDerWaalsContact OD1-ND1 3.16Å; D63-H100 IonicContact OD2-CE1 3.07Å; D63-H100 IonicContact OD2-CG 3.82Å; D63-H100 PolarHBondContact OD2-N 3.07Å; D63-H100 IonicContact OD2-ND1 2.8Å; D63-H100 PolarHBondContact OD2-ND1 3.42Å; S93-H100 PolarHBondContact OG-CE1 2.8Å; S93-H100 VanDerWaalsContact OG-CE1 3.31Å; S96-H100 PolarHBondContact O-N 3.41Å; H100-W103 PolarHBondContact O-N 2.75Å; H100-I104 WeakPolarHBondContact O-CB 3.46Å; H100-I104 VanDerWaalsContact O-CG1 3.26Å; H100-I104 WeakPolarHBondContact O-CG1 3.46Å; H100-I104 PolarHBondContact O-N 3.44Å; H100-V120 HydrophobicContact CB-CB 4.45Å; H100-V120 HydrophobicContact CB-CG1 4.09Å; H100-V120 PolarHBondContact CD2-O 3.44Å; H100-M121 PolarHBondContact NE2-O 2.81Å; H100-A122 WeakPolarHBondContact NE2-CA 3.49Å; H100-A122 PolarHBondContact NE2-N 2.93Å
101L98.5Very high98.1Very high41 Ų4146.9 Ų46.922%0.21525%0.254CS..Hα-helixtrans-64.2-43179178.663.2000111.6V37 F42 H97 F98 S99 W103 I104 C105V37-L101 HydrophobicContact CG1-CB 4.47Å; V37-L101 HydrophobicContact CG1-CD1 4.1Å; V37-L101 HydrophobicContact CG2-CB 4.22Å; F42-L101 HydrophobicContact CE1-CB 3.89Å; F42-L101 HydrophobicContact CE1-CD2 3.8Å; F42-L101 HydrophobicContact CE1-CG 4.4Å; F42-L101 HydrophobicContact CZ-CB 4.28Å; F42-L101 HydrophobicContact CZ-CD2 3.59Å; H97-L101 PolarHBondContact O-N 2.77Å; H97-L101 VanDerWaalsContact O-N 3.08Å; F98-L101 PolarHBondContact O-N 3.5Å; S99-L101 VanDerWaalsContact C-N 3.32Å; S99-L101 PolarHBondContact O-N 3.16Å; L101-W103 VanDerWaalsContact C-N 3.28Å; L101-W103 PolarHBondContact O-N 3.1Å; L101-I104 PolarHBondContact O-N 3.16Å; L101-C105 WeakPolarHBondContact O-CB 3.33Å; L101-C105 PolarHBondContact O-N 2.86Å; L101-C105 PolarHBondContact O-SG 3.3Å
102A98.4Very high98.1Very high49 Ų4947 Ų4741%0.40525%0.254SS..Hα-helixtrans-60.1-41175.200000111.5F64 F98 S99 C105 T106F64-A102 HydrophobicContact CZ-CB 4.14Å; F98-A102 PolarHBondContact O-N 2.94Å; S99-A102 PolarHBondContact O-N 3.28Å; A102-C105 PolarHBondContact O-N 3.14Å; A102-T106 PolarHBondContact O-N 3.35Å; A102-T106 PolarHBondContact O-OG1 2.91Å
103W98.3Very high98.1Very high0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-71.3-36.1179.8-160.532.2000113.1Y60 D63 F64 C68 P69 I72 S99 H100 L101 C105 T106 G111 L113Y60-W103 HydrophobicContact CE2-CH2 4.35Å; Y60-W103 AromaticContact CE2-CZ3 3.71Å; Y60-W103 HydrophobicContact CE2-CZ3 3.71Å; D63-W103 HydrophobicContact CB-CD2 4.02Å; D63-W103 HydrophobicContact CB-CE3 3.73Å; D63-W103 HydrophobicContact CB-CG 4.44Å; D63-W103 HydrophobicContact CB-CZ3 4.19Å; D63-W103 WeakPolarHBondContact OD1-CZ3 3.35Å; F64-W103 AromaticContact CD1-CD1 3.41Å; F64-W103 VanDerWaalsContact CD1-CD1 3.41Å; F64-W103 HydrophobicContact CD1-CG 4.16Å; F64-W103 AromaticContact CD1-NE1 3.92Å; F64-W103 HydrophobicContact CD2-CB 4.42Å; F64-W103 HydrophobicContact CD2-CG 4.3Å; F64-W103 HydrophobicContact CE1-CB 4.01Å; F64-W103 AromaticContact CE1-CD1 3.38Å; F64-W103 AromaticContact CE1-CG 3.96Å; F64-W103 HydrophobicContact CE1-CG 3.96Å; F64-W103 HydrophobicContact CE2-CB 3.76Å; F64-W103 HydrophobicContact CE2-CG 4.1Å; F64-W103 AromaticContact CG-CD1 3.89Å; F64-W103 HydrophobicContact CG-CG 4.33Å; F64-W103 HydrophobicContact CZ-CB 3.53Å; F64-W103 AromaticContact CZ-CD1 3.83Å; F64-W103 AromaticContact CZ-CG 3.93Å; F64-W103 HydrophobicContact CZ-CG 3.93Å; F64-W103 VanDerWaalsContact N-CE2 3.32Å; C68-W103 HydrophobicContact CB-CH2 3.87Å; P69-W103 HydrophobicContact CB-CH2 4.06Å; P69-W103 HydrophobicContact CB-CZ2 3.54Å; P69-W103 HydrophobicContact CG-CH2 4.45Å; P69-W103 HydrophobicContact CG-CZ2 3.83Å; I72-W103 HydrophobicContact CD1-CH2 3.79Å; I72-W103 HydrophobicContact CD1-CZ3 3.45Å; I72-W103 VanDerWaalsContact CD1-CZ3 3.45Å; S99-W103 WeakPolarHBondContact O-CB 3.42Å; S99-W103 PolarHBondContact O-N 3.37Å; H100-W103 PolarHBondContact O-N 2.75Å; L101-W103 VanDerWaalsContact C-N 3.28Å; L101-W103 PolarHBondContact O-N 3.1Å; W103-C105 VanDerWaalsContact C-N 3.35Å; W103-T106 WeakPolarHBondContact O-CB 3.24Å; W103-T106 PolarHBondContact O-N 3.28Å; W103-G111 PolarHBondContact NE1-O 3.31Å; W103-L113 HydrophobicContact CD2-CD1 3.9Å; W103-L113 HydrophobicContact CD2-CD2 4.12Å; W103-L113 HydrophobicContact CD2-CG 3.6Å; W103-L113 HydrophobicContact CE3-CD1 3.44Å; W103-L113 VanDerWaalsContact CE3-CD1 3.44Å; W103-L113 HydrophobicContact CE3-CD2 4.01Å; W103-L113 HydrophobicContact CE3-CG 3.62Å; W103-L113 HydrophobicContact CG-CD1 4.46Å; W103-L113 HydrophobicContact CG-CG 4.09Å; W103-L113 HydrophobicContact CH2-CD2 3.8Å; W103-L113 HydrophobicContact CH2-CG 4.32Å; W103-L113 HydrophobicContact CZ2-CD2 3.92Å; W103-L113 HydrophobicContact CZ2-CG 4.31Å; W103-L113 HydrophobicContact CZ3-CD1 3.84Å; W103-L113 HydrophobicContact CZ3-CD2 3.84Å; W103-L113 HydrophobicContact CZ3-CG 3.98Å; W103-L113 PolarHBondContact O-N 2.91Å
104I98.3Very high98Very high11 Ų1147.7 Ų47.76%0.05626%0.262CS..Hα-helixtrans-62.1-42170-73.8167.3000111.1V37 H100 L101 T106 L113 G114 M116 V120V37-I104 HydrophobicContact CB-CD1 3.75Å; V37-I104 HydrophobicContact CG1-CD1 3.5Å; V37-I104 VanDerWaalsContact CG1-CD1 3.5Å; H100-I104 WeakPolarHBondContact O-CB 3.46Å; H100-I104 VanDerWaalsContact O-CG1 3.26Å; H100-I104 WeakPolarHBondContact O-CG1 3.46Å; H100-I104 PolarHBondContact O-N 3.44Å; L101-I104 PolarHBondContact O-N 3.16Å; I104-T106 PolarHBondContact O-N 3.28Å; I104-L113 HydrophobicContact CG1-CB 4.41Å; I104-L113 HydrophobicContact CG1-CD1 4.01Å; I104-G114 CarbonylContact O-C 3.39Å; I104-G114 VanDerWaalsContact O-CA 3.23Å; I104-G114 WeakPolarHBondContact O-CA 3.2Å; I104-G114 PolarHBondContact O-N 2.76Å; I104-M116 HydrophobicContact CD1-CB 4.45Å; I104-M116 HydrophobicContact CD1-CG 4.21Å; I104-M116 HydrophobicContact CG1-CB 4.5Å; I104-M116 HydrophobicContact CG1-CG 3.83Å; I104-V120 HydrophobicContact CD1-CB 4.49Å; I104-V120 HydrophobicContact CD1-CG2 4.11Å
105C97.3Very high97.8Very high87 Ų8754.6 Ų54.659%0.58829%0.294SS*.Hα-helixtrans-73.6-12.3176.7-690000113.5L101 A102 W103L101-C105 WeakPolarHBondContact O-CB 3.33Å; L101-C105 PolarHBondContact O-N 2.86Å; L101-C105 PolarHBondContact O-SG 3.3Å; A102-C105 PolarHBondContact O-N 3.14Å; W103-C105 VanDerWaalsContact C-N 3.35Å
106T97.9Very high97.8Very high32 Ų3253.9 Ų53.920%0.19629%0.289CS..SBendtrans-81.3131.1177.2-57.40000109.9A102 W103 I104 E110 G112 G114A102-T106 PolarHBondContact O-N 3.35Å; A102-T106 PolarHBondContact O-OG1 2.91Å; W103-T106 WeakPolarHBondContact O-CB 3.24Å; W103-T106 PolarHBondContact O-N 3.28Å; I104-T106 PolarHBondContact O-N 3.28Å; T106-E110 HydrophobicContact CG2-CB 4.07Å; T106-G112 WeakPolarHBondContact O-CA 3.45Å; T106-G114 PolarHBondContact O-N 2.93Å
107P97.4Very high97.8Very high54 Ų5457.9 Ų57.935%0.35130%0.303SS..  trans-60.7143.8176.5-2535000112.9K109 E110 G112P107-K109 HydrophobicContact CB-CG 3.79Å; P107-K109 PolarHBondContact O-N 3.05Å; P107-E110 WeakPolarHBondContact O-CA 3.43Å; P107-E110 WeakPolarHBondContact O-CB 3.34Å; P107-E110 PolarHBondContact O-N 3.06Å; P107-G112 PolarHBondContact O-N 2.84Å
108R97.5Very high97.8Very high96 Ų9656.1 Ų56.136%0.36230%0.295SS..G310 helixtrans-57.8-34.8177.9-66.8-178-179.5-179.31.5114.1I73 E77 E110 G111 G112 L113I73-R108 HydrophobicContact CD1-CG 3.9Å; I73-R108 VanDerWaalsContact CG2-CZ 3.49Å; E77-R108 IonicContact OE1-CZ 3.62Å; E77-R108 IonicContact OE1-NH1 3.55Å; E77-R108 PolarHBondContact OE1-NH1 2.98Å; E77-R108 IonicContact OE1-NH2 3.6Å; R108-E110 PolarHBondContact O-N 3.27Å; R108-E110 VanDerWaalsContact O-N 3.16Å; R108-G111 PolarHBondContact O-N 3.29Å; R108-G112 WeakPolarHBondContact CA-O 3.33Å; R108-L113 VanDerWaalsContact CG-O 3.23Å; R108-L113 WeakPolarHBondContact CG-O 3.47Å; R108-L113 PolarHBondContact NE-O 2.87Å
109K97.2Very high97.8Very high180 Ų18050.5 Ų50.578%0.78327%0.272SS*.G310 helixtrans-61.6-1817560.1169.8-168.5174.90113.7P107P107-K109 HydrophobicContact CB-CG 3.79Å; P107-K109 PolarHBondContact O-N 3.05Å
110E97Very high97.8Very high127 Ų12749.2 Ų49.259%0.59326%0.263SS*.G310 helixtrans-106.214177.5-71.4160.5-138.700111.5T106 P107 R108 G112T106-E110 HydrophobicContact CG2-CB 4.07Å; P107-E110 WeakPolarHBondContact O-CA 3.43Å; P107-E110 WeakPolarHBondContact O-CB 3.34Å; P107-E110 PolarHBondContact O-N 3.06Å; R108-E110 PolarHBondContact O-N 3.27Å; R108-E110 VanDerWaalsContact O-N 3.16Å; E110-G112 VanDerWaalsContact C-N 3.33Å
111G96.8Very high97.8Very high37 Ų3749.2 Ų49.238%0.38126%0.263SS..THydrogen-bonded Turntrans81.410.3-177.300000114.4W103 R108W103-G111 PolarHBondContact NE1-O 3.31Å; R108-G111 PolarHBondContact O-N 3.29Å
112G97.9Very high97.8Very high1 Ų147.3 Ų47.31%0.0125%0.253CS..  trans-78.9178.1173.400000114.3T106 P107 R108 E110T106-G112 WeakPolarHBondContact O-CA 3.45Å; P107-G112 PolarHBondContact O-N 2.84Å; R108-G112 WeakPolarHBondContact CA-O 3.33Å; E110-G112 VanDerWaalsContact C-N 3.33Å
113L98Very high97.8Very high0 Ų045.1 Ų45.10%024%0.235CC..  trans-88.8-34.4176-63.2-178.6000112.5P69 I72 I73 W103 I104 R108 M116P69-L113 HydrophobicContact CB-CD2 3.94Å; I72-L113 HydrophobicContact CB-CD2 3.97Å; I72-L113 HydrophobicContact CD1-CD1 4.4Å; I72-L113 HydrophobicContact CD1-CD2 4.11Å; I72-L113 HydrophobicContact CG2-CD1 4.07Å; I72-L113 HydrophobicContact CG2-CD2 4Å; I73-L113 HydrophobicContact CG1-CD2 4.3Å; W103-L113 HydrophobicContact CD2-CD1 3.9Å; W103-L113 HydrophobicContact CD2-CD2 4.12Å; W103-L113 HydrophobicContact CD2-CG 3.6Å; W103-L113 HydrophobicContact CE3-CD1 3.44Å; W103-L113 VanDerWaalsContact CE3-CD1 3.44Å; W103-L113 HydrophobicContact CE3-CD2 4.01Å; W103-L113 HydrophobicContact CE3-CG 3.62Å; W103-L113 HydrophobicContact CG-CD1 4.46Å; W103-L113 HydrophobicContact CG-CG 4.09Å; W103-L113 HydrophobicContact CH2-CD2 3.8Å; W103-L113 HydrophobicContact CH2-CG 4.32Å; W103-L113 HydrophobicContact CZ2-CD2 3.92Å; W103-L113 HydrophobicContact CZ2-CG 4.31Å; W103-L113 HydrophobicContact CZ3-CD1 3.84Å; W103-L113 HydrophobicContact CZ3-CD2 3.84Å; W103-L113 HydrophobicContact CZ3-CG 3.98Å; W103-L113 PolarHBondContact O-N 2.91Å; I104-L113 HydrophobicContact CG1-CB 4.41Å; I104-L113 HydrophobicContact CG1-CD1 4.01Å; R108-L113 VanDerWaalsContact CG-O 3.23Å; R108-L113 WeakPolarHBondContact CG-O 3.47Å; R108-L113 PolarHBondContact NE-O 2.87Å; L113-M116 HydrophobicContact CB-CE 3.74Å; L113-M116 HydrophobicContact CB-CG 4.09Å; L113-M116 HydrophobicContact CB-SD 4Å; L113-M116 HydrophobicContact CD1-CG 4.2Å; L113-M116 HydrophobicContact CD1-SD 4.25Å; L113-M116 WeakPolarHBondContact O-CE 3.43Å
114G97Very high97.8Very high17 Ų1752 Ų5218%0.17527%0.265CS..  trans63.4-156.5-165.200000112.2I104 T106 M116I104-G114 CarbonylContact O-C 3.39Å; I104-G114 VanDerWaalsContact O-CA 3.23Å; I104-G114 WeakPolarHBondContact O-CA 3.2Å; I104-G114 PolarHBondContact O-N 2.76Å; T106-G114 PolarHBondContact O-N 2.93Å; G114-M116 PolarHBondContact O-N 2.82Å
115E96.1Very high97.8Very high153 Ų15354 Ų5472%0.71529%0.288SS*.SBendtrans-58.9124.8-179.3-171.4-168.7158.800112.2
116M97.8Very high97.8Very high12 Ų1252.9 Ų52.96%0.05927%0.274CS..  trans-109132.7178.4-70-61.9102.500112.4I72 I73 I104 L113 G114 V120I72-M116 HydrophobicContact CG2-SD 3.68Å; I73-M116 HydrophobicContact CG1-CE 4.11Å; I104-M116 HydrophobicContact CD1-CB 4.45Å; I104-M116 HydrophobicContact CD1-CG 4.21Å; I104-M116 HydrophobicContact CG1-CB 4.5Å; I104-M116 HydrophobicContact CG1-CG 3.83Å; L113-M116 HydrophobicContact CB-CE 3.74Å; L113-M116 HydrophobicContact CB-CG 4.09Å; L113-M116 HydrophobicContact CB-SD 4Å; L113-M116 HydrophobicContact CD1-CG 4.2Å; L113-M116 HydrophobicContact CD1-SD 4.25Å; L113-M116 WeakPolarHBondContact O-CE 3.43Å; G114-M116 PolarHBondContact O-N 2.82Å; M116-V120 HydrophobicContact CG-CG2 4.39Å
117K97.8Very high97.8Very high114 Ų11455.1 Ų55.150%0.49629%0.287SS..SBendtrans-1001.8178.8-60.8175.8-175.81730113.3S76 S79S76-K117 PolarHBondContact OG-N 2.78Å; S79-K117 WeakPolarHBondContact OG-CB 3.19Å
118I98.5Very high97.8Very high6 Ų652.8 Ų52.83%0.03127%0.272CS..SBendtrans-127.6149.7-179.763.3174.8000109.4F58 I72 F75 L89 A91F58-I118 HydrophobicContact CE1-CD1 3.97Å; F58-I118 HydrophobicContact CZ-CD1 3.8Å; I72-I118 HydrophobicContact CG2-CD1 4.39Å; F75-I118 HydrophobicContact CB-CD1 4.2Å; L89-I118 HydrophobicContact CB-CB 4.31Å; L89-I118 HydrophobicContact CB-CG2 3.76Å; L89-I118 HydrophobicContact CD1-CG2 3.91Å; L89-I118 HydrophobicContact CG-CG2 4.41Å; A91-I118 HydrophobicContact CB-CD1 4.35Å
119P98.6Very high97.8Very high16 Ų1648.2 Ų48.210%0.10425%0.254CS..  trans-61.6137.7170.5-21.833.6000112.3A36 I38 L89 A91A36-P119 HydrophobicContact CB-CB 4.1Å; I38-P119 HydrophobicContact CD1-CB 4.19Å; I38-P119 HydrophobicContact CD1-CG 3.96Å; I38-P119 HydrophobicContact CG1-CB 3.92Å; I38-P119 HydrophobicContact CG1-CG 4.04Å; L89-P119 WeakPolarHBondContact O-CD 3.46Å; A91-P119 PolarHBondContact N-O 3.4Å
120V98.7Very high97.9Very high0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-111.1104.4168.6-170.20000108.2A36 V37 Y60 A91 H100 I104 M116A36-V120 CarbonylContact C-O 3.57Å; A36-V120 WeakPolarHBondContact CA-O 3.31Å; A36-V120 WeakPolarHBondContact CB-O 3.49Å; V37-V120 PolarHBondContact N-O 3.02Å; V37-V120 PolarHBondContact O-N 2.85Å; V37-V120 VanDerWaalsContact O-N 3.11Å; Y60-V120 HydrophobicContact CE1-CG1 4.34Å; Y60-V120 WeakPolarHBondContact OH-CG1 3.43Å; A91-V120 HydrophobicContact CB-CG1 4.46Å; H100-V120 HydrophobicContact CB-CB 4.45Å; H100-V120 HydrophobicContact CB-CG1 4.09Å; H100-V120 PolarHBondContact CD2-O 3.44Å; I104-V120 HydrophobicContact CD1-CB 4.49Å; I104-V120 HydrophobicContact CD1-CG2 4.11Å; M116-V120 HydrophobicContact CG-CG2 4.39Å
121M98.8Very high97.9Very high0 Ų040.4 Ų40.40%022%0.22CC..EExtended strand (participates in β ladder)trans-94.4129.6-169.7-177.5175.866.400112.3F32 A36 V45 L57 I90 A91 C92 S93 H100 I128F32-M121 HydrophobicContact CD2-CE 4.03Å; F32-M121 HydrophobicContact CD2-SD 3.78Å; F32-M121 HydrophobicContact CE2-CE 4.3Å; F32-M121 HydrophobicContact CE2-SD 4.03Å; F32-M121 HydrophobicContact CG-CE 4.42Å; A36-M121 HydrophobicContact CB-CB 4.03Å; A36-M121 HydrophobicContact CB-CG 4.47Å; V45-M121 HydrophobicContact CG2-CB 4.37Å; V45-M121 HydrophobicContact CG2-CG 3.95Å; V45-M121 HydrophobicContact CG2-SD 3.58Å; V45-M121 VanDerWaalsContact CG2-SD 3.58Å; L57-M121 HydrophobicContact CD1-CE 3.87Å; I90-M121 HydrophobicContact CG2-CB 3.81Å; I90-M121 HydrophobicContact CG2-CE 4.31Å; A91-M121 PolarHBondContact O-N 2.89Å; C92-M121 VanDerWaalsContact CA-O 3.27Å; C92-M121 WeakPolarHBondContact CA-O 3.38Å; C92-M121 HydrophobicContact CB-CB 4.29Å; C92-M121 HydrophobicContact CB-CE 3.82Å; C92-M121 VanDerWaalsContact SG-CE 3.52Å; C92-M121 PolarHBondContact SG-O 3.29Å; S93-M121 PolarHBondContact N-O 2.78Å; H100-M121 PolarHBondContact NE2-O 2.81Å; M121-I128 HydrophobicContact CE-CD1 3.81Å; M121-I128 HydrophobicContact CE-CG2 4.25Å; M121-I128 HydrophobicContact SD-CD1 4.06Å
122A98.8Very high98Very high2 Ų238.7 Ų38.72%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-85125.7177.500000111.4S34 Q35 D95 H97 H100S34-A122 VanDerWaalsContact CB-O 3.25Å; S34-A122 WeakPolarHBondContact CB-O 3.24Å; S34-A122 PolarHBondContact OG-O 2.78Å; Q35-A122 PolarHBondContact O-N 2.88Å; D95-A122 WeakPolarHBondContact O-CA 3.43Å; D95-A122 VanDerWaalsContact O-CB 3.26Å; D95-A122 WeakPolarHBondContact O-CB 3.34Å; H97-A122 HydrophobicContact CB-CB 4.05Å; H100-A122 WeakPolarHBondContact NE2-CA 3.49Å; H100-A122 PolarHBondContact NE2-N 2.93Å
123D98.7Very high97.9Very high3 Ų339.7 Ų39.72%0.01621%0.212CC..  trans-110.854.3167.5-177.231.3000110.4S93 T94 G125 K126 T127 I128 A129S93-D123 WeakPolarHBondContact O-CA 3.14Å; S93-D123 WeakPolarHBondContact O-CB 3.27Å; S93-D123 PolarHBondContact O-N 2.82Å; T94-D123 WeakPolarHBondContact CA-O 3.34Å; D123-G125 PolarHBondContact O-N 3.32Å; D123-G125 VanDerWaalsContact O-N 3.13Å; D123-K126 WeakPolarHBondContact O-CA 3.38Å; D123-K126 PolarHBondContact O-N 2.89Å; D123-K126 WeakPolarHBondContact OD1-CA 3.16Å; D123-K126 PolarHBondContact OD1-N 2.91Å; D123-K126 WeakPolarHBondContact OD2-CA 3.42Å; D123-T127 PolarHBondContact OD1-N 2.72Å; D123-T127 PolarHBondContact OD2-N 3.28Å; D123-I128 HydrophobicContact CB-CB 4.11Å; D123-I128 HydrophobicContact CB-CD1 4.18Å; D123-I128 HydrophobicContact CB-CG1 4.34Å; D123-I128 WeakPolarHBondContact OD1-CG1 3.49Å; D123-I128 PolarHBondContact OD1-N 2.88Å; D123-I128 PolarHBondContact OD2-N 2.83Å; D123-I128 VanDerWaalsContact OD2-N 3.12Å; D123-A129 VanDerWaalsContact OD2-CB 3.31Å; D123-A129 WeakPolarHBondContact OD2-CB 3.45Å; D123-A129 PolarHBondContact OD2-N 2.73Å
124F98Very high97.9Very high143 Ų14339.7 Ų39.763%0.62721%0.213SC*.THydrogen-bonded Turntrans-56-35.1-175.7-168-112.6000113K126F124-K126 VanDerWaalsContact C-N 3.29Å; F124-K126 PolarHBondContact O-N 2.73Å; F124-K126 PolarHBondContact O-NZ 2.94Å
125G97.2Very high98Very high53 Ų5339.9 Ų39.955%0.54621%0.209SC..THydrogen-bonded Turntrans-77.5-6175.400000115D123 T127D123-G125 PolarHBondContact O-N 3.32Å; D123-G125 VanDerWaalsContact O-N 3.13Å; G125-T127 PolarHBondContact O-N 2.83Å; G125-T127 VanDerWaalsContact O-N 3.13Å
126K97.8Very high98Very high65 Ų6534.8 Ų34.828%0.28319%0.187SC..SBendtrans60.917.1179.4-50.8172.7-17957.30113.2T94 D123 F124 R130 L135 G140T94-K126 HydrophobicContact CG2-CB 4.4Å; T94-K126 HydrophobicContact CG2-CG 3.83Å; D123-K126 WeakPolarHBondContact O-CA 3.38Å; D123-K126 PolarHBondContact O-N 2.89Å; D123-K126 WeakPolarHBondContact OD1-CA 3.16Å; D123-K126 PolarHBondContact OD1-N 2.91Å; D123-K126 WeakPolarHBondContact OD2-CA 3.42Å; F124-K126 VanDerWaalsContact C-N 3.29Å; F124-K126 PolarHBondContact O-N 2.73Å; F124-K126 PolarHBondContact O-NZ 2.94Å; K126-R130 WeakPolarHBondContact O-CB 3.38Å; K126-R130 PolarHBondContact O-N 2.78Å; K126-R130 PolarHBondContact O-NH1 2.93Å; K126-L135 HydrophobicContact CB-CD1 4.03Å; K126-L135 HydrophobicContact CB-CD2 3.84Å; K126-L135 HydrophobicContact CD-CD1 4.26Å; K126-L135 HydrophobicContact CG-CD1 4.28Å; K126-G140 WeakPolarHBondContact CE-O 3.19Å
127T97.2Very high97.9Very high78 Ų7839.6 Ų39.648%0.47921%0.209SC..Hα-helixtrans-79.6-35.8-17554.60000110.2D123 G125 N131D123-T127 PolarHBondContact OD1-N 2.72Å; D123-T127 PolarHBondContact OD2-N 3.28Å; G125-T127 PolarHBondContact O-N 2.83Å; G125-T127 VanDerWaalsContact O-N 3.13Å; T127-N131 VanDerWaalsContact O-CB 3.29Å; T127-N131 WeakPolarHBondContact O-CB 3.44Å; T127-N131 PolarHBondContact O-N 3.13Å; T127-N131 PolarHBondContact O-ND2 3.43Å; T127-N131 PolarHBondContact O-OD1 2.93Å
128I98.4Very high97.8Very high5 Ų543.5 Ų43.53%0.02623%0.226CC..Hα-helixtrans-72.2-52.9-178.8-52174.2000109.6F32 F59 M121 D123 R130 N131 Y132F32-I128 HydrophobicContact CB-CD1 4Å; F32-I128 HydrophobicContact CB-CG1 4.03Å; F32-I128 HydrophobicContact CB-CG2 3.82Å; F32-I128 HydrophobicContact CG-CG2 4.47Å; F59-I128 HydrophobicContact CE1-CB 4.44Å; F59-I128 HydrophobicContact CE1-CG2 3.93Å; F59-I128 HydrophobicContact CZ-CG2 3.77Å; M121-I128 HydrophobicContact CE-CD1 3.81Å; M121-I128 HydrophobicContact CE-CG2 4.25Å; M121-I128 HydrophobicContact SD-CD1 4.06Å; D123-I128 HydrophobicContact CB-CB 4.11Å; D123-I128 HydrophobicContact CB-CD1 4.18Å; D123-I128 HydrophobicContact CB-CG1 4.34Å; D123-I128 WeakPolarHBondContact OD1-CG1 3.49Å; D123-I128 PolarHBondContact OD1-N 2.88Å; D123-I128 PolarHBondContact OD2-N 2.83Å; D123-I128 VanDerWaalsContact OD2-N 3.12Å; I128-R130 PolarHBondContact O-N 2.82Å; I128-N131 PolarHBondContact O-N 3.35Å; I128-N131 VanDerWaalsContact O-N 3.1Å; I128-Y132 HydrophobicContact CG2-CD2 3.96Å; I128-Y132 HydrophobicContact CG2-CE2 4.08Å; I128-Y132 WeakPolarHBondContact O-CD2 3.42Å; I128-Y132 PolarHBondContact O-N 3.08Å
129A98.3Very high97.7Very high0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-57.4-38.4177.400000111.7F59 T94 D123 G133 V134 L135 A142F59-A129 HydrophobicContact CD1-CB 4.15Å; F59-A129 HydrophobicContact CE1-CB 4.06Å; T94-A129 HydrophobicContact CG2-CB 4.37Å; D123-A129 VanDerWaalsContact OD2-CB 3.31Å; D123-A129 WeakPolarHBondContact OD2-CB 3.45Å; D123-A129 PolarHBondContact OD2-N 2.73Å; A129-G133 PolarHBondContact O-N 3.46Å; A129-G133 VanDerWaalsContact O-N 3.17Å; A129-V134 HydrophobicContact CB-CG2 4.14Å; A129-V134 WeakPolarHBondContact O-CG2 3.16Å; A129-V134 PolarHBondContact O-N 2.82Å; A129-L135 HydrophobicContact CB-CB 4.06Å; A129-L135 HydrophobicContact CB-CD1 4.26Å; A129-L135 PolarHBondContact O-N 2.73Å; A129-A142 HydrophobicContact CB-CB 4.07Å
130R97.7Very high97.7Very high70 Ų7048 Ų4826%0.26425%0.253SS..Hα-helixtrans-65.8-48.5173.7-178.1174.8-62.4103.5-4.9112P20 K126 I128 Y132 G133 L135 E137P20-R130 VanDerWaalsContact CB-O 3.31Å; P20-R130 WeakPolarHBondContact CB-O 3.43Å; P20-R130 HydrophobicContact CG-CG 3.37Å; P20-R130 VanDerWaalsContact CG-O 3.26Å; P20-R130 WeakPolarHBondContact CG-O 3.38Å; K126-R130 WeakPolarHBondContact O-CB 3.38Å; K126-R130 PolarHBondContact O-N 2.78Å; K126-R130 PolarHBondContact O-NH1 2.93Å; I128-R130 PolarHBondContact O-N 2.82Å; R130-Y132 PolarHBondContact O-N 3.43Å; R130-G133 WeakPolarHBondContact O-CA 3.34Å; R130-G133 PolarHBondContact O-N 2.79Å; R130-L135 HydrophobicContact CB-CB 4.34Å; R130-L135 HydrophobicContact CB-CD2 3.96Å; R130-L135 VanDerWaalsContact CZ-CD2 3.44Å; R130-E137 IonicContact CZ-OE1 3.65Å; R130-E137 IonicContact CZ-OE2 2.74Å; R130-E137 IonicContact NE-OE1 3.16Å; R130-E137 PolarHBondContact NE-OE1 3.13Å; R130-E137 IonicContact NE-OE2 3.54Å; R130-E137 IonicContact NH2-OE1 2.81Å; R130-E137 PolarHBondContact NH2-OE1 3.19Å; R130-E137 IonicContact NH2-OE2 2.79Å; R130-E137 PolarHBondContact NH2-OE2 3.03Å
131N97.5Very high97.6Very high74 Ų7449 Ų4940%0.39626%0.258SS..Hα-helixtrans-61.9-31178.5-73.7-9.8000112.9P30 T127 I128 G133P30-N131 HydrophobicContact CB-CB 3.96Å; P30-N131 WeakPolarHBondContact CG-O 3.47Å; T127-N131 VanDerWaalsContact O-CB 3.29Å; T127-N131 WeakPolarHBondContact O-CB 3.44Å; T127-N131 PolarHBondContact O-N 3.13Å; T127-N131 PolarHBondContact O-ND2 3.43Å; T127-N131 PolarHBondContact O-OD1 2.93Å; I128-N131 PolarHBondContact O-N 3.35Å; I128-N131 VanDerWaalsContact O-N 3.1Å; N131-G133 VanDerWaalsContact C-N 3.3Å
132Y98.2Very high97.6Very high0 Ų049 Ų490%026%0.258CS..THydrogen-bonded Turntrans-85.91.6174.1-81.8-98.3000113.4P23 P30 F32 L57 F59 I128 R130 V134 F147P23-Y132 WeakPolarHBondContact CD-O 3.44Å; P23-Y132 HydrophobicContact CG-CD1 4.03Å; P23-Y132 HydrophobicContact CG-CE1 4.5Å; P30-Y132 HydrophobicContact CB-CD2 4.24Å; P30-Y132 HydrophobicContact CB-CE2 4Å; P30-Y132 HydrophobicContact CG-CD2 4.4Å; P30-Y132 HydrophobicContact CG-CE2 4.37Å; P30-Y132 WeakPolarHBondContact O-CE2 3.09Å; P30-Y132 PolarHBondContact O-OH 2.99Å; F32-Y132 HydrophobicContact CD1-CE2 4.07Å; F32-Y132 WeakPolarHBondContact CD1-OH 3.42Å; L57-Y132 HydrophobicContact CD2-CD1 4.3Å; L57-Y132 HydrophobicContact CD2-CD2 4.35Å; L57-Y132 HydrophobicContact CD2-CE1 3.73Å; L57-Y132 HydrophobicContact CD2-CE2 3.79Å; L57-Y132 VanDerWaalsContact CD2-CZ 3.42Å; F59-Y132 HydrophobicContact CE2-CD1 4.03Å; F59-Y132 HydrophobicContact CE2-CD2 4.28Å; F59-Y132 AromaticContact CE2-CG 3.77Å; F59-Y132 HydrophobicContact CE2-CG 3.77Å; F59-Y132 HydrophobicContact CZ-CD1 4.44Å; F59-Y132 AromaticContact CZ-CD2 3.88Å; F59-Y132 HydrophobicContact CZ-CD2 3.88Å; F59-Y132 AromaticContact CZ-CG 3.8Å; F59-Y132 HydrophobicContact CZ-CG 3.8Å; I128-Y132 HydrophobicContact CG2-CD2 3.96Å; I128-Y132 HydrophobicContact CG2-CE2 4.08Å; I128-Y132 WeakPolarHBondContact O-CD2 3.42Å; I128-Y132 PolarHBondContact O-N 3.08Å; R130-Y132 PolarHBondContact O-N 3.43Å; Y132-V134 VanDerWaalsContact C-N 3.3Å; Y132-V134 PolarHBondContact O-N 3.2Å; Y132-F147 AromaticContact CD1-CD1 3.76Å; Y132-F147 HydrophobicContact CD1-CD1 3.76Å; Y132-F147 AromaticContact CD1-CD2 3.58Å; Y132-F147 HydrophobicContact CD1-CD2 3.58Å; Y132-F147 AromaticContact CD1-CE1 3.8Å; Y132-F147 HydrophobicContact CD1-CE1 3.8Å; Y132-F147 AromaticContact CD1-CE2 3.62Å; Y132-F147 HydrophobicContact CD1-CE2 3.62Å; Y132-F147 AromaticContact CD1-CG 3.67Å; Y132-F147 HydrophobicContact CD1-CG 3.67Å; Y132-F147 AromaticContact CD1-CZ 3.74Å; Y132-F147 HydrophobicContact CD1-CZ 3.74Å; Y132-F147 HydrophobicContact CE1-CB 4.26Å; Y132-F147 HydrophobicContact CE1-CD1 4.15Å; Y132-F147 HydrophobicContact CE1-CD2 4.11Å; Y132-F147 AromaticContact CE1-CG 3.89Å; Y132-F147 HydrophobicContact CE1-CG 3.89Å; Y132-F147 HydrophobicContact CG-CE2 4.22Å; Y132-F147 HydrophobicContact CG-CZ 4.34Å; Y132-F147 WeakPolarHBondContact O-CZ 3.42Å
133G97.5Very high97.5Very high22 Ų2250.7 Ų50.723%0.22727%0.267CS..THydrogen-bonded Turntrans68.322.8175.300000114.8I22 A129 R130 N131I22-G133 VanDerWaalsContact CG1-O 3.27Å; I22-G133 WeakPolarHBondContact CG1-O 3.33Å; A129-G133 PolarHBondContact O-N 3.46Å; A129-G133 VanDerWaalsContact O-N 3.17Å; R130-G133 WeakPolarHBondContact O-CA 3.34Å; R130-G133 PolarHBondContact O-N 2.79Å; N131-G133 VanDerWaalsContact C-N 3.3Å
134V98.1Very high97.5Very high1 Ų151 Ų511%0.00627%0.268CS..  trans-112.4-1.3-176-64.40000113.4F59 A129 Y132 A142 L143 F147 V160F59-V134 HydrophobicContact CB-CG2 4.19Å; F59-V134 HydrophobicContact CD1-CG2 4.05Å; F59-V134 HydrophobicContact CD2-CG2 3.83Å; F59-V134 HydrophobicContact CE1-CG2 4.39Å; F59-V134 HydrophobicContact CE2-CG2 4.2Å; F59-V134 HydrophobicContact CG-CG2 3.75Å; F59-V134 HydrophobicContact CZ-CG2 4.45Å; A129-V134 HydrophobicContact CB-CG2 4.14Å; A129-V134 WeakPolarHBondContact O-CG2 3.16Å; A129-V134 PolarHBondContact O-N 2.82Å; Y132-V134 VanDerWaalsContact C-N 3.3Å; Y132-V134 PolarHBondContact O-N 3.2Å; V134-A142 HydrophobicContact CG2-CB 4.2Å; V134-A142 CarbonylContact O-C 3.57Å; V134-A142 WeakPolarHBondContact O-CA 3.24Å; V134-L143 HydrophobicContact CB-CB 4.4Å; V134-L143 PolarHBondContact O-N 3.29Å; V134-F147 HydrophobicContact CG1-CE2 3.95Å; V134-F147 HydrophobicContact CG1-CZ 3.83Å; V134-V160 HydrophobicContact CG1-CG2 4.24Å
135L98.1Very high97.6Very high20 Ų2044.2 Ų44.211%0.10524%0.238CC..EExtended strand (participates in β ladder)trans-74.1126.3177.6-176.469.9000111.5T94 K126 A129 R130 E137T94-L135 HydrophobicContact CG2-CD1 4.1Å; K126-L135 HydrophobicContact CB-CD1 4.03Å; K126-L135 HydrophobicContact CB-CD2 3.84Å; K126-L135 HydrophobicContact CD-CD1 4.26Å; K126-L135 HydrophobicContact CG-CD1 4.28Å; A129-L135 HydrophobicContact CB-CB 4.06Å; A129-L135 HydrophobicContact CB-CD1 4.26Å; A129-L135 PolarHBondContact O-N 2.73Å; R130-L135 HydrophobicContact CB-CB 4.34Å; R130-L135 HydrophobicContact CB-CD2 3.96Å; R130-L135 VanDerWaalsContact CZ-CD2 3.44Å; L135-E137 WeakPolarHBondContact CD2-OE2 3.4Å; L135-E137 PolarHBondContact O-N 3.03Å
136L96.9Very high97.6Very high47 Ų4741.9 Ų41.925%0.24621%0.213CC..EExtended strand (participates in β ladder)trans-81.695.6163-63.9179.5000108.6K138 D139 G140 I141 L143 L163L136-K138 PolarHBondContact O-N 3.4Å; L136-K138 VanDerWaalsContact O-N 3.14Å; L136-D139 HydrophobicContact CB-CB 4.28Å; L136-D139 PolarHBondContact O-N 3.13Å; L136-G140 PolarHBondContact O-N 3.12Å; L136-I141 HydrophobicContact CB-CG1 4.34Å; L136-I141 HydrophobicContact CD1-CD1 4.28Å; L136-I141 HydrophobicContact CD1-CG1 4.18Å; L136-I141 PolarHBondContact N-O 3.34Å; L136-L143 HydrophobicContact CD1-CD2 3.86Å; L136-L143 HydrophobicContact CD1-CG 4.3Å; L136-L143 HydrophobicContact CD2-CD1 4.09Å; L136-L143 HydrophobicContact CD2-CD2 4.02Å; L136-L143 HydrophobicContact CD2-CG 3.9Å; L136-L143 HydrophobicContact CG-CD2 4.05Å; L136-L143 HydrophobicContact CG-CG 3.95Å; L136-L163 HydrophobicContact CD1-CD1 4.41Å
137E95.7Very high97.7Very high113 Ų11338.8 Ų38.853%0.52820%0.2SC..THydrogen-bonded Turntrans-54.2-37.1-172.8-67.6-71-177.900113.5R130 L135R130-E137 IonicContact CZ-OE1 3.65Å; R130-E137 IonicContact CZ-OE2 2.74Å; R130-E137 IonicContact NE-OE1 3.16Å; R130-E137 PolarHBondContact NE-OE1 3.13Å; R130-E137 IonicContact NE-OE2 3.54Å; R130-E137 IonicContact NH2-OE1 2.81Å; R130-E137 PolarHBondContact NH2-OE1 3.19Å; R130-E137 IonicContact NH2-OE2 2.79Å; R130-E137 PolarHBondContact NH2-OE2 3.03Å; L135-E137 WeakPolarHBondContact CD2-OE2 3.4Å; L135-E137 PolarHBondContact O-N 3.03Å
138K95.7Very high97.8Very high196 Ų19635.1 Ų35.185%0.85218%0.177SC*.THydrogen-bonded Turntrans-67-39.8179.6-177.8-177.9172.8-172.70112.7L136L136-K138 PolarHBondContact O-N 3.4Å; L136-K138 VanDerWaalsContact O-N 3.14Å
139D96.2Very high97.8Very high99 Ų9935 Ų3553%0.52918%0.176SC..THydrogen-bonded Turntrans-97.9-16.4-171.2-57.3-44.8000112L136 I141L136-D139 HydrophobicContact CB-CB 4.28Å; L136-D139 PolarHBondContact O-N 3.13Å; D139-I141 VanDerWaalsContact C-N 3.3Å; D139-I141 HydrophobicContact CB-CD1 4.26Å; D139-I141 HydrophobicContact CB-CG1 3.84Å; D139-I141 PolarHBondContact O-N 3.1Å
140G97.2Very high97.8Very high16 Ų1635.1 Ų35.117%0.16518%0.177CC..THydrogen-bonded Turntrans73.219.8178.200000114.4T94 K126 L136T94-G140 PolarHBondContact OG1-O 3.46Å; T94-G140 VanDerWaalsContact OG1-O 3.1Å; K126-G140 WeakPolarHBondContact CE-O 3.19Å; L136-G140 PolarHBondContact O-N 3.12Å
141I97.9Very high97.8Very high22 Ų2233.2 Ų33.211%0.11317%0.174CC..EExtended strand (participates in β ladder)trans-122.4158.1-176.960.9169000111.2P61 L62 L136 D139 L163P61-I141 HydrophobicContact CB-CD1 4.21Å; L62-I141 HydrophobicContact CD1-CG2 3.94Å; L62-I141 HydrophobicContact CD2-CG2 3.66Å; L62-I141 HydrophobicContact CG-CG2 3.63Å; L136-I141 HydrophobicContact CB-CG1 4.34Å; L136-I141 HydrophobicContact CD1-CD1 4.28Å; L136-I141 HydrophobicContact CD1-CG1 4.18Å; L136-I141 PolarHBondContact N-O 3.34Å; D139-I141 VanDerWaalsContact C-N 3.3Å; D139-I141 HydrophobicContact CB-CD1 4.26Å; D139-I141 HydrophobicContact CB-CG1 3.84Å; D139-I141 PolarHBondContact O-N 3.1Å; I141-L163 HydrophobicContact CD1-CD1 4.29Å; I141-L163 HydrophobicContact CD1-CD2 4.36Å
142A98.2Very high97.9Very high0 Ų036.4 Ų36.40%018%0.184CC..EExtended strand (participates in β ladder)trans-87.2144.9173.300000112.2F59 P61 A129 V134F59-A142 HydrophobicContact CB-CB 3.84Å; F59-A142 HydrophobicContact CD1-CB 4.19Å; F59-A142 HydrophobicContact CG-CB 4.36Å; P61-A142 VanDerWaalsContact CA-O 3.24Å; P61-A142 WeakPolarHBondContact CA-O 3.44Å; P61-A142 WeakPolarHBondContact CG-O 3.25Å; A129-A142 HydrophobicContact CB-CB 4.07Å; V134-A142 HydrophobicContact CG2-CB 4.2Å; V134-A142 CarbonylContact O-C 3.57Å; V134-A142 WeakPolarHBondContact O-CA 3.24Å
143L98Very high97.9Very high37 Ų3737.3 Ų37.319%0.19419%0.193CC..  trans-64.2168160.1-71.4172.7000110.6V134 L136 G145 V160 L163V134-L143 HydrophobicContact CB-CB 4.4Å; V134-L143 PolarHBondContact O-N 3.29Å; L136-L143 HydrophobicContact CD1-CD2 3.86Å; L136-L143 HydrophobicContact CD1-CG 4.3Å; L136-L143 HydrophobicContact CD2-CD1 4.09Å; L136-L143 HydrophobicContact CD2-CD2 4.02Å; L136-L143 HydrophobicContact CD2-CG 3.9Å; L136-L143 HydrophobicContact CG-CD2 4.05Å; L136-L143 HydrophobicContact CG-CG 3.95Å; L143-G145 PolarHBondContact O-N 2.88Å; L143-V160 HydrophobicContact CB-CG1 3.84Å; L143-V160 HydrophobicContact CD1-CG1 3.96Å; L143-L163 HydrophobicContact CD2-CD2 4.06Å; L143-L163 HydrophobicContact CD2-CG 4.38Å
144R98.4Very high97.9Very high10 Ų1037.7 Ų37.74%0.03819%0.19CC..EExtended strand (participates in β ladder)trans-76.464.5175.4-64.6-174.5-170.1-62.2-20111.3P61 E71 N161 L163 V165 R167P61-R144 HydrophobicContact CG-CG 4.36Å; E71-R144 IonicContact OE2-CZ 2.72Å; E71-R144 IonicContact OE2-NH1 3.46Å; E71-R144 PolarHBondContact OE2-NH1 2.84Å; R144-N161 HydrophobicContact CB-CB 3.98Å; R144-N161 PolarHBondContact N-O 2.88Å; R144-N161 PolarHBondContact O-N 3.13Å; R144-N161 VanDerWaalsContact O-N 3.11Å; R144-L163 VanDerWaalsContact CZ-O 3.3Å; R144-L163 PolarHBondContact NE-O 2.95Å; R144-L163 PolarHBondContact NH2-O 3.02Å; R144-V165 VanDerWaalsContact CD-O 3.27Å; R144-V165 WeakPolarHBondContact CD-O 3.33Å; R144-R167 VanDerWaalsContact C-NH1 3.27Å; R144-R167 PolarHBondContact O-NH1 2.88Å
145G98.5Very high98Very high0 Ų037.6 Ų37.60%019%0.189CC..EExtended strand (participates in β ladder)trans-85.1130.7177.700000112.8F58 F59 L143 C159 R167F58-G145 CarbonylContact C-O 3.49Å; F58-G145 WeakPolarHBondContact CA-O 3.15Å; F59-G145 PolarHBondContact N-O 3.04Å; L143-G145 PolarHBondContact O-N 2.88Å; G145-C159 CarbonylContact C-O 3.54Å; G145-C159 WeakPolarHBondContact CA-O 3.33Å; G145-R167 PolarHBondContact O-NH1 3.42Å
146L98.8Very high98Very high5 Ų540.5 Ų40.53%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-123.8129.3175.3-180154.1000108.9I56 F58 F75 V148 V158 C159 A172I56-L146 HydrophobicContact CG2-CD1 3.86Å; I56-L146 HydrophobicContact CG2-CD2 3.97Å; I56-L146 HydrophobicContact CG2-CG 3.66Å; F58-L146 HydrophobicContact CB-CB 4.17Å; F58-L146 HydrophobicContact CB-CD1 4.27Å; F58-L146 HydrophobicContact CB-CG 4.15Å; F75-L146 HydrophobicContact CE2-CD1 4.34Å; F75-L146 HydrophobicContact CZ-CD1 3.73Å; L146-V148 HydrophobicContact CD2-CG2 3.92Å; L146-V158 WeakPolarHBondContact O-CA 3.21Å; L146-C159 HydrophobicContact CB-CB 4.46Å; L146-C159 PolarHBondContact N-O 3.26Å; L146-C159 PolarHBondContact O-N 2.89Å; L146-A172 HydrophobicContact CD1-CB 4.2Å
147F98.8Very high98.1Very high0 Ų040.9 Ų40.90%020%0.199CC..EExtended strand (participates in β ladder)trans-122.7122.6-177.7-61.5-92.1000109.4I22 P23 I56 L57 F59 Y132 V134 I149 V155 H157 V158I22-F147 HydrophobicContact CG2-CE1 3.97Å; I22-F147 HydrophobicContact CG2-CZ 4.31Å; P23-F147 HydrophobicContact CG-CD1 3.97Å; P23-F147 HydrophobicContact CG-CE1 3.6Å; P23-F147 HydrophobicContact CG-CZ 4.48Å; I56-F147 WeakPolarHBondContact CA-O 3.22Å; L57-F147 PolarHBondContact N-O 3.29Å; L57-F147 PolarHBondContact O-N 3.4Å; F59-F147 HydrophobicContact CD2-CD2 4.07Å; F59-F147 AromaticContact CD2-CE2 3.82Å; F59-F147 HydrophobicContact CD2-CE2 3.82Å; F59-F147 AromaticContact CE2-CD2 3.88Å; F59-F147 HydrophobicContact CE2-CD2 3.88Å; F59-F147 AromaticContact CE2-CE2 3.73Å; F59-F147 HydrophobicContact CE2-CE2 3.73Å; Y132-F147 AromaticContact CD1-CD1 3.76Å; Y132-F147 HydrophobicContact CD1-CD1 3.76Å; Y132-F147 AromaticContact CD1-CD2 3.58Å; Y132-F147 HydrophobicContact CD1-CD2 3.58Å; Y132-F147 AromaticContact CD1-CE1 3.8Å; Y132-F147 HydrophobicContact CD1-CE1 3.8Å; Y132-F147 AromaticContact CD1-CE2 3.62Å; Y132-F147 HydrophobicContact CD1-CE2 3.62Å; Y132-F147 AromaticContact CD1-CG 3.67Å; Y132-F147 HydrophobicContact CD1-CG 3.67Å; Y132-F147 AromaticContact CD1-CZ 3.74Å; Y132-F147 HydrophobicContact CD1-CZ 3.74Å; Y132-F147 HydrophobicContact CE1-CB 4.26Å; Y132-F147 HydrophobicContact CE1-CD1 4.15Å; Y132-F147 HydrophobicContact CE1-CD2 4.11Å; Y132-F147 AromaticContact CE1-CG 3.89Å; Y132-F147 HydrophobicContact CE1-CG 3.89Å; Y132-F147 HydrophobicContact CG-CE2 4.22Å; Y132-F147 HydrophobicContact CG-CZ 4.34Å; Y132-F147 WeakPolarHBondContact O-CZ 3.42Å; V134-F147 HydrophobicContact CG1-CE2 3.95Å; V134-F147 HydrophobicContact CG1-CZ 3.83Å; F147-I149 HydrophobicContact CB-CG1 4.46Å; F147-V155 HydrophobicContact CD1-CG1 4.42Å; F147-H157 WeakPolarHBondContact CA-O 3.41Å; F147-V158 HydrophobicContact CD1-CB 4.37Å; F147-V158 HydrophobicContact CD1-CG1 4Å; F147-V158 HydrophobicContact CD1-CG2 3.68Å; F147-V158 HydrophobicContact CE1-CB 4.32Å; F147-V158 HydrophobicContact CE1-CG1 3.56Å; F147-V158 HydrophobicContact CE1-CG2 3.81Å; F147-V158 HydrophobicContact CZ-CG1 4.07Å
148V98.8Very high98.2Very high0 Ų037.1 Ų37.10%018%0.184CC..EExtended strand (participates in β ladder)trans-94.5120.2169.7-1780000108.2W54 I56 L146 R156 H157 V175 V176W54-V148 HydrophobicContact CE3-CG1 3.76Å; W54-V148 HydrophobicContact CZ3-CG1 3.85Å; I56-V148 HydrophobicContact CG1-CG2 4.37Å; L146-V148 HydrophobicContact CD2-CG2 3.92Å; V148-R156 PolarHBondContact O-N 3.33Å; V148-H157 HydrophobicContact CB-CB 3.97Å; V148-H157 HydrophobicContact CG2-CB 3.98Å; V148-H157 PolarHBondContact N-O 3.44Å; V148-H157 PolarHBondContact O-N 3.42Å; V148-V175 HydrophobicContact CG2-CG1 4.14Å; V148-V176 HydrophobicContact CG1-CG2 3.85Å; V148-V176 HydrophobicContact CG2-CG2 4.41Å
149I98.9Very high98.3Very high3 Ų329.6 Ų29.62%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-117.9131.1-175.6-56.8165.5000108.3A29 L47 W54 L55 L57 F147 I154 V155A29-I149 HydrophobicContact CB-CD1 3.69Å; A29-I149 HydrophobicContact CB-CG1 3.95Å; A29-I149 HydrophobicContact CB-CG2 3.98Å; L47-I149 HydrophobicContact CD1-CD1 4.26Å; W54-I149 WeakPolarHBondContact CA-O 3.48Å; L55-I149 HydrophobicContact CB-CB 4.28Å; L55-I149 HydrophobicContact CD2-CD1 4.07Å; L55-I149 HydrophobicContact CG-CD1 4.45Å; L55-I149 PolarHBondContact N-O 3.2Å; L55-I149 PolarHBondContact O-N 2.9Å; L57-I149 HydrophobicContact CB-CD1 4.45Å; F147-I149 HydrophobicContact CB-CG1 4.46Å; I149-I154 WeakPolarHBondContact CA-O 3.22Å; I149-V155 HydrophobicContact CG1-CG2 4.47Å
150D98.7Very high98.4Very high3 Ų327.4 Ų27.42%0.01615%0.146CC..  trans-83171.7-178.178.711.5000113.1W54 K152 G153 I154 R156W54-D150 HydrophobicContact CD2-CB 4.49Å; W54-D150 HydrophobicContact CE3-CB 4.19Å; W54-D150 HydrophobicContact CH2-CB 3.58Å; W54-D150 HydrophobicContact CZ2-CB 3.97Å; W54-D150 HydrophobicContact CZ3-CB 3.74Å; D150-K152 PolarHBondContact O-N 3.45Å; D150-K152 WeakPolarHBondContact OD1-CA 3.37Å; D150-K152 WeakPolarHBondContact OD1-CB 3.41Å; D150-K152 PolarHBondContact OD1-N 3.02Å; D150-G153 PolarHBondContact O-N 3.07Å; D150-G153 PolarHBondContact OD1-N 3.35Å; D150-I154 PolarHBondContact N-O 2.83Å; D150-I154 WeakPolarHBondContact OD1-CB 3.3Å; D150-I154 PolarHBondContact OD1-N 3.43Å; D150-R156 HydrophobicContact CB-CG 3.73Å; D150-R156 WeakPolarHBondContact OD2-CD 3.34Å; D150-R156 IonicContact OD2-CZ 3.67Å; D150-R156 IonicContact OD2-NH1 2.89Å; D150-R156 PolarHBondContact OD2-NH1 3.2Å
151P98.6Very high98.5Very high29 Ų2928.5 Ų28.519%0.18815%0.148CC..THydrogen-bonded Turntrans-56.6-17.2179.2-30.839.1000116G52 K53 W54G52-P151 PolarHBondContact N-O 3.09Å; K53-P151 WeakPolarHBondContact O-CA 3.29Å; W54-P151 HydrophobicContact CG-CG 4.44Å
152K98.1Very high98.4Very high142 Ų14232.6 Ų32.662%0.61717%0.17SC*.THydrogen-bonded Turntrans-95.80.4178.9-59.1168.7-171.51560111.8D150 I154 E183D150-K152 PolarHBondContact O-N 3.45Å; D150-K152 WeakPolarHBondContact OD1-CA 3.37Å; D150-K152 WeakPolarHBondContact OD1-CB 3.41Å; D150-K152 PolarHBondContact OD1-N 3.02Å; K152-I154 HydrophobicContact CB-CG1 4.21Å; K152-E183 IonicContact NZ-OE1 3.54Å; K152-E183 PolarHBondContact NZ-OE1 3Å
153G98.3Very high98.3Very high19 Ų1935.2 Ų35.220%0.19618%0.184CC..SBendtrans7922.5-178.600000113.4A29 D150A29-G153 PolarHBondContact N-O 2.82Å; D150-G153 PolarHBondContact O-N 3.07Å; D150-G153 PolarHBondContact OD1-N 3.35Å
154I98.6Very high98.2Very high29 Ų2938 Ų3815%0.14920%0.204CC..BIsolated β-bridgetrans-96133.7178.7-54-62.6000109.7H28 I149 D150 K152 R156H28-I154 WeakPolarHBondContact CE1-CD1 3.24Å; H28-I154 WeakPolarHBondContact ND1-CD1 3.19Å; I149-I154 WeakPolarHBondContact CA-O 3.22Å; D150-I154 PolarHBondContact N-O 2.83Å; D150-I154 WeakPolarHBondContact OD1-CB 3.3Å; D150-I154 PolarHBondContact OD1-N 3.43Å; K152-I154 HydrophobicContact CB-CG1 4.21Å; I154-R156 PolarHBondContact O-N 3.32Å
155V98.7Very high98.1Very high0 Ų041.7 Ų41.70%023%0.227CC..EExtended strand (participates in β ladder)trans-69.2127.1173179.70000109P23 P25 Q26 D27 A29 F147 I149 V158P23-V155 HydrophobicContact CB-CG2 4.21Å; P23-V155 HydrophobicContact CG-CG2 4.37Å; P25-V155 CarbonylContact C-O 3.1Å; P25-V155 VanDerWaalsContact CA-O 3.27Å; P25-V155 WeakPolarHBondContact CA-O 3.23Å; Q26-V155 PolarHBondContact N-O 3.03Å; D27-V155 PolarHBondContact O-N 3.19Å; A29-V155 HydrophobicContact CB-CG2 3.83Å; F147-V155 HydrophobicContact CD1-CG1 4.42Å; I149-V155 HydrophobicContact CG1-CG2 4.47Å; V155-V158 HydrophobicContact CG1-CG2 3.59Å
156R98.6Very high98Very high81 Ų8143.3 Ų43.331%0.30624%0.244SC..EExtended strand (participates in β ladder)trans-108.8-31.5-179.8-53.9-51.6-67.2-124.41.1112.8W54 V148 D150 I154 F179W54-R156 HydrophobicContact CH2-CG 3.95Å; W54-R156 HydrophobicContact CZ3-CB 4.24Å; W54-R156 HydrophobicContact CZ3-CG 3.73Å; V148-R156 PolarHBondContact O-N 3.33Å; D150-R156 HydrophobicContact CB-CG 3.73Å; D150-R156 WeakPolarHBondContact OD2-CD 3.34Å; D150-R156 IonicContact OD2-CZ 3.67Å; D150-R156 IonicContact OD2-NH1 2.89Å; D150-R156 PolarHBondContact OD2-NH1 3.2Å; I154-R156 PolarHBondContact O-N 3.32Å; R156-F179 HydrophobicContact CB-CD1 4.15Å; R156-F179 HydrophobicContact CB-CD2 3.9Å; R156-F179 HydrophobicContact CB-CE1 4.01Å; R156-F179 HydrophobicContact CB-CE2 3.75Å; R156-F179 HydrophobicContact CB-CG 4.11Å; R156-F179 HydrophobicContact CB-CZ 3.82Å; R156-F179 WeakPolarHBondContact O-CZ 3.33Å
157H98.7Very high98Very high54 Ų5444.4 Ų44.425%0.2525%0.248CC..EExtended strand (participates in β ladder)trans-148.2144.6179.5176.779.8000110.7F147 V148 V175 F179F147-H157 WeakPolarHBondContact CA-O 3.41Å; V148-H157 HydrophobicContact CB-CB 3.97Å; V148-H157 HydrophobicContact CG2-CB 3.98Å; V148-H157 PolarHBondContact N-O 3.44Å; V148-H157 PolarHBondContact O-N 3.42Å; H157-V175 HydrophobicContact CB-CG1 3.75Å; H157-F179 HydrophobicContact CB-CE2 3.97Å
158V98.5Very high98Very high35 Ų3547.2 Ų47.221%0.21227%0.268CS..EExtended strand (participates in β ladder)trans-131.8131.5173.7-174.50000108.7I22 P23 L146 F147 V155 V160I22-V158 HydrophobicContact CG2-CG1 3.7Å; I22-V158 HydrophobicContact CG2-CG2 4.46Å; P23-V158 WeakPolarHBondContact O-CG2 3.2Å; L146-V158 WeakPolarHBondContact O-CA 3.21Å; F147-V158 HydrophobicContact CD1-CB 4.37Å; F147-V158 HydrophobicContact CD1-CG1 4Å; F147-V158 HydrophobicContact CD1-CG2 3.68Å; F147-V158 HydrophobicContact CE1-CB 4.32Å; F147-V158 HydrophobicContact CE1-CG1 3.56Å; F147-V158 HydrophobicContact CE1-CG2 3.81Å; F147-V158 HydrophobicContact CZ-CG1 4.07Å; V155-V158 HydrophobicContact CG1-CG2 3.59Å; V158-V160 HydrophobicContact CG1-CG2 3.9Å
159C98.2Very high98Very high38 Ų3847.8 Ų47.826%0.25727%0.271SS..EExtended strand (participates in β ladder)trans-130.1120171.3172.90000107.9G145 L146 N161G145-C159 CarbonylContact C-O 3.54Å; G145-C159 WeakPolarHBondContact CA-O 3.33Å; L146-C159 HydrophobicContact CB-CB 4.46Å; L146-C159 PolarHBondContact N-O 3.26Å; L146-C159 PolarHBondContact O-N 2.89Å; C159-N161 PolarHBondContact SG-OD1 3.01Å
160V98.2Very high98Very high52 Ų5252.4 Ų52.432%0.31530%0.296SS..EExtended strand (participates in β ladder)trans-121.3109.7176-173.60000108.1I22 V134 L143 V158I22-V160 HydrophobicContact CD1-CG2 4.02Å; V134-V160 HydrophobicContact CG1-CG2 4.24Å; L143-V160 HydrophobicContact CB-CG1 3.84Å; L143-V160 HydrophobicContact CD1-CG1 3.96Å; V158-V160 HydrophobicContact CG1-CG2 3.9Å
161N98.2Very high98Very high39 Ų3955.9 Ų55.921%0.20931%0.312CS..EExtended strand (participates in β ladder)trans-90.3149.9172-7313.3000110.2R144 C159 V165 G166R144-N161 HydrophobicContact CB-CB 3.98Å; R144-N161 PolarHBondContact N-O 2.88Å; R144-N161 PolarHBondContact O-N 3.13Å; R144-N161 VanDerWaalsContact O-N 3.11Å; C159-N161 PolarHBondContact SG-OD1 3.01Å; N161-V165 WeakPolarHBondContact CB-O 3.4Å; N161-V165 PolarHBondContact ND2-O 3.46Å; N161-G166 PolarHBondContact ND2-O 3.46Å
162D97Very high98Very high108 Ų10854.8 Ų54.858%0.57831%0.305SS*.  trans-63.9162.7161.9-167.213.8000110.5V165D162-V165 PolarHBondContact O-N 3.46Å
163L95.5Very high98Very high56 Ų5648.8 Ų48.829%0.29328%0.28SS..THydrogen-bonded Turntrans-54-39.3-172.9-57.1180000115.9P61 L136 I141 L143 R144 V165P61-L163 HydrophobicContact CB-CD2 4.19Å; P61-L163 HydrophobicContact CG-CD2 3.53Å; L136-L163 HydrophobicContact CD1-CD1 4.41Å; I141-L163 HydrophobicContact CD1-CD1 4.29Å; I141-L163 HydrophobicContact CD1-CD2 4.36Å; L143-L163 HydrophobicContact CD2-CD2 4.06Å; L143-L163 HydrophobicContact CD2-CG 4.38Å; R144-L163 VanDerWaalsContact CZ-O 3.3Å; R144-L163 PolarHBondContact NE-O 2.95Å; R144-L163 PolarHBondContact NH2-O 3.02Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 3.24Å
164P96.3Very high98Very high96 Ų9650.2 Ų50.262%0.62328%0.279SS*.THydrogen-bonded Turntrans-80.2-8.9-17229.8-32.9000114.5
165V96.7Very high98Very high86 Ų8649.1 Ų49.152%0.52127%0.274SS..  trans-117.4115.1-171.9-175.40000111.8R144 N161 D162 L163R144-V165 VanDerWaalsContact CD-O 3.27Å; R144-V165 WeakPolarHBondContact CD-O 3.33Å; N161-V165 WeakPolarHBondContact CB-O 3.4Å; N161-V165 PolarHBondContact ND2-O 3.46Å; D162-V165 PolarHBondContact O-N 3.46Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 3.24Å
166G96.5Very high98Very high34 Ų3449.1 Ų49.135%0.35127%0.274SS..PPolyproline II helixtrans-68157.7174.400000113.6N161N161-G166 PolarHBondContact ND2-O 3.46Å
167R98.5Very high98Very high28 Ų2847.4 Ų47.411%0.10627%0.27CS..PPolyproline II helixtrans-88.4163.2176.9-68.4161.5-70.8-161.9-4.9111.8F59 E71 R144 G145F59-R167 VanDerWaalsContact O-CZ 3.27Å; F59-R167 PolarHBondContact O-NH1 2.88Å; F59-R167 PolarHBondContact O-NH2 2.94Å; E71-R167 VanDerWaalsContact CD-NH2 3.32Å; E71-R167 WeakPolarHBondContact OE1-CB 3.44Å; E71-R167 IonicContact OE1-CZ 3.58Å; E71-R167 PolarHBondContact OE1-N 2.96Å; E71-R167 IonicContact OE1-NE 3.65Å; E71-R167 PolarHBondContact OE1-NE 3.14Å; E71-R167 IonicContact OE1-NH2 2.87Å; E71-R167 PolarHBondContact OE1-NH2 2.63Å; E71-R167 IonicContact OE2-CZ 3.58Å; E71-R167 IonicContact OE2-NE 3.57Å; E71-R167 IonicContact OE2-NH2 3.84Å; E71-R167 PolarHBondContact OE2-NH2 3.05Å; R144-R167 VanDerWaalsContact C-NH1 3.27Å; R144-R167 PolarHBondContact O-NH1 2.88Å; G145-R167 PolarHBondContact O-NH1 3.42Å
168S98.5Very high98Very high60 Ų6045.4 Ų45.442%0.4226%0.263SS..PPolyproline II helixtrans-98124.6177.2173.70000111.6D170 E171 A172S168-D170 PolarHBondContact OG-N 3.29Å; S168-E171 PolarHBondContact OG-N 3.4Å; S168-E171 VanDerWaalsContact OG-N 3.16Å; S168-A172 PolarHBondContact O-N 3.28Å; S168-A172 VanDerWaalsContact O-N 3.14Å
169V98.6Very high98Very high12 Ų1246.1 Ų46.17%0.07326%0.263CS..Hα-helixtrans-69-35.7173.2-176.50000111A74 F75 R78 F82 A172 L173A74-V169 HydrophobicContact CB-CG2 3.69Å; F75-V169 HydrophobicContact CD1-CG1 4.04Å; F75-V169 HydrophobicContact CD1-CG2 4.15Å; F75-V169 HydrophobicContact CD2-CG2 4.02Å; F75-V169 HydrophobicContact CE1-CB 4.4Å; F75-V169 HydrophobicContact CE1-CG1 4.07Å; F75-V169 HydrophobicContact CE1-CG2 4.16Å; F75-V169 HydrophobicContact CE2-CG2 4.01Å; F75-V169 HydrophobicContact CG-CG2 4.07Å; F75-V169 HydrophobicContact CZ-CG2 4.08Å; R78-V169 HydrophobicContact CB-CG1 4.19Å; F82-V169 HydrophobicContact CE2-CG1 3.7Å; F82-V169 HydrophobicContact CZ-CG1 3.83Å; V169-A172 PolarHBondContact O-N 3.34Å; V169-L173 WeakPolarHBondContact O-CB 3.48Å; V169-L173 PolarHBondContact O-N 3.26Å
170D98.5Very high98Very high99 Ų9946.5 Ų46.553%0.52926%0.261SS..Hα-helixtrans-63.3-42.3176.4-65.7-66.3000112.1R78 S168 L173 R174R78-D170 IonicContact CZ-OD1 3.43Å; R78-D170 IonicContact NH1-OD1 3.7Å; R78-D170 PolarHBondContact NH1-OD1 3.06Å; R78-D170 IonicContact NH1-OD2 2.82Å; R78-D170 PolarHBondContact NH1-OD2 2.91Å; R78-D170 IonicContact NH2-OD1 3.66Å; R78-D170 PolarHBondContact NH2-OD1 3.41Å; S168-D170 PolarHBondContact OG-N 3.29Å; D170-L173 PolarHBondContact O-N 3.13Å; D170-R174 VanDerWaalsContact O-CB 3.3Å; D170-R174 WeakPolarHBondContact O-CB 3.33Å; D170-R174 PolarHBondContact O-N 2.54Å
171E98.7Very high98.1Very high76 Ų7646.3 Ų46.336%0.35526%0.256SS..Hα-helixtrans-67.7-42.2176.9-179.457.5-167.600111.3S168 L173 R174 V175S168-E171 PolarHBondContact OG-N 3.4Å; S168-E171 VanDerWaalsContact OG-N 3.16Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.77Å; E171-R174 PolarHBondContact O-N 2.97Å; E171-R174 IonicContact OE1-CZ 2.73Å; E171-R174 IonicContact OE1-NE 2.78Å; E171-R174 PolarHBondContact OE1-NE 3.3Å; E171-R174 IonicContact OE1-NH2 3.78Å; E171-R174 PolarHBondContact OE1-NH2 3.39Å; E171-R174 IonicContact OE2-CZ 3.71Å; E171-R174 IonicContact OE2-NE 3.74Å; E171-R174 PolarHBondContact OE2-NE 3.06Å; E171-R174 IonicContact OE2-NH2 3.47Å; E171-V175 HydrophobicContact CG-CG2 4.37Å; E171-V175 WeakPolarHBondContact O-CB 3.42Å; E171-V175 VanDerWaalsContact O-CG2 3.27Å; E171-V175 WeakPolarHBondContact O-CG2 3.29Å; E171-V175 PolarHBondContact O-N 2.94Å; E171-V175 WeakPolarHBondContact OE1-CG2 3.43Å
172A98.7Very high98.1Very high6 Ų646.6 Ų46.65%0.0526%0.259CS..Hα-helixtrans-58-45.2175.200000111.6I56 F75 F82 L146 S168 V169 V175 V176I56-A172 HydrophobicContact CD1-CB 4.04Å; F75-A172 HydrophobicContact CE1-CB 3.81Å; F75-A172 HydrophobicContact CZ-CB 3.86Å; F82-A172 HydrophobicContact CE1-CB 4.49Å; F82-A172 HydrophobicContact CZ-CB 4.42Å; L146-A172 HydrophobicContact CD1-CB 4.2Å; S168-A172 PolarHBondContact O-N 3.28Å; S168-A172 VanDerWaalsContact O-N 3.14Å; V169-A172 PolarHBondContact O-N 3.34Å; A172-V175 PolarHBondContact O-N 3.19Å; A172-V176 WeakPolarHBondContact O-CG2 3.42Å; A172-V176 PolarHBondContact O-N 2.9Å
173L98.7Very high98Very high16 Ų1645.9 Ų45.98%0.08425%0.252CS..Hα-helixtrans-64.3-45.2176.2-172.364.9000111.6E81 F82 I85 V169 D170 E171 V175 V176 M177E81-L173 HydrophobicContact CB-CD1 4.38Å; E81-L173 HydrophobicContact CB-CD2 4.2Å; E81-L173 WeakPolarHBondContact OE2-CD2 3.48Å; F82-L173 HydrophobicContact CD1-CD1 3.85Å; F82-L173 HydrophobicContact CD2-CD1 4.45Å; F82-L173 HydrophobicContact CE1-CB 3.97Å; F82-L173 HydrophobicContact CE1-CD1 3.8Å; F82-L173 HydrophobicContact CE2-CD1 4.43Å; F82-L173 HydrophobicContact CG-CD1 4.19Å; F82-L173 HydrophobicContact CZ-CB 3.87Å; F82-L173 HydrophobicContact CZ-CD1 4.11Å; I85-L173 HydrophobicContact CD1-CD1 3.71Å; V169-L173 WeakPolarHBondContact O-CB 3.48Å; V169-L173 PolarHBondContact O-N 3.26Å; D170-L173 PolarHBondContact O-N 3.13Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.77Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-V175 PolarHBondContact O-N 3.35Å; L173-V176 PolarHBondContact O-N 3.3Å; L173-M177 HydrophobicContact CD2-CE 4.49Å; L173-M177 HydrophobicContact CG-CE 4Å; L173-M177 HydrophobicContact CG-SD 4.42Å; L173-M177 WeakPolarHBondContact O-CG 3.25Å; L173-M177 PolarHBondContact O-N 2.77Å
174R98.7Very high98.1Very high50 Ų5051.1 Ų51.119%0.18927%0.273CS..Hα-helixtrans-58.1-44.5177.6-169.1-163.772.671.54.8111.8D170 E171 M177 A178 W193D170-R174 VanDerWaalsContact O-CB 3.3Å; D170-R174 WeakPolarHBondContact O-CB 3.33Å; D170-R174 PolarHBondContact O-N 2.54Å; E171-R174 PolarHBondContact O-N 2.97Å; E171-R174 IonicContact OE1-CZ 2.73Å; E171-R174 IonicContact OE1-NE 2.78Å; E171-R174 PolarHBondContact OE1-NE 3.3Å; E171-R174 IonicContact OE1-NH2 3.78Å; E171-R174 PolarHBondContact OE1-NH2 3.39Å; E171-R174 IonicContact OE2-CZ 3.71Å; E171-R174 IonicContact OE2-NE 3.74Å; E171-R174 PolarHBondContact OE2-NE 3.06Å; E171-R174 IonicContact OE2-NH2 3.47Å; R174-M177 PolarHBondContact O-N 2.74Å; R174-A178 WeakPolarHBondContact O-CB 3.22Å; R174-A178 PolarHBondContact O-N 2.62Å; R174-W193 WeakPolarHBondContact CD-O 3.5Å; R174-W193 VanDerWaalsContact CG-O 3.27Å; R174-W193 WeakPolarHBondContact CG-O 3.26Å; R174-W193 PolarHBondContact NH1-O 2.94Å; R174-W193 VanDerWaalsContact NH1-O 3.08Å
175V98.7Very high98.2Very high6 Ų651 Ų514%0.03626%0.264CS..Hα-helixtrans-63-46.1179.3168.70000111.3V148 H157 E171 A172 L173 A178 F179V148-V175 HydrophobicContact CG2-CG1 4.14Å; H157-V175 HydrophobicContact CB-CG1 3.75Å; E171-V175 HydrophobicContact CG-CG2 4.37Å; E171-V175 WeakPolarHBondContact O-CB 3.42Å; E171-V175 VanDerWaalsContact O-CG2 3.27Å; E171-V175 WeakPolarHBondContact O-CG2 3.29Å; E171-V175 PolarHBondContact O-N 2.94Å; E171-V175 WeakPolarHBondContact OE1-CG2 3.43Å; A172-V175 PolarHBondContact O-N 3.19Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-V175 PolarHBondContact O-N 3.35Å; V175-A178 PolarHBondContact O-N 3.44Å; V175-F179 HydrophobicContact CG1-CD2 3.8Å; V175-F179 HydrophobicContact CG1-CE2 3.64Å; V175-F179 VanDerWaalsContact O-CD2 3.26Å; V175-F179 WeakPolarHBondContact O-CD2 3.32Å; V175-F179 PolarHBondContact O-N 2.81Å
176V98.7Very high98.2Very high0 Ų049.2 Ų49.20%026%0.262CS..Hα-helixtrans-61-48.5176.9176.60000110.8W54 I56 I85 C87 V148 A172 L173 A178 F179 Q180W54-V176 HydrophobicContact CB-CG1 4.3Å; W54-V176 HydrophobicContact CD2-CG1 4.25Å; W54-V176 HydrophobicContact CE3-CG1 4.34Å; W54-V176 HydrophobicContact CG-CG1 4.23Å; I56-V176 HydrophobicContact CD1-CG2 3.84Å; I56-V176 HydrophobicContact CG1-CG2 4.11Å; I85-V176 HydrophobicContact CD1-CB 4.14Å; I85-V176 HydrophobicContact CD1-CG1 3.63Å; I85-V176 HydrophobicContact CG1-CG1 4.44Å; C87-V176 HydrophobicContact CB-CG1 4.1Å; V148-V176 HydrophobicContact CG1-CG2 3.85Å; V148-V176 HydrophobicContact CG2-CG2 4.41Å; A172-V176 WeakPolarHBondContact O-CG2 3.42Å; A172-V176 PolarHBondContact O-N 2.9Å; L173-V176 PolarHBondContact O-N 3.3Å; V176-A178 VanDerWaalsContact C-N 3.28Å; V176-A178 PolarHBondContact O-N 3.31Å; V176-F179 PolarHBondContact O-N 3.5Å; V176-Q180 HydrophobicContact CG1-CG 4.46Å; V176-Q180 WeakPolarHBondContact O-CG 3.14Å; V176-Q180 PolarHBondContact O-N 2.87Å
177M98.6Very high98.3Very high44 Ų4449.7 Ų49.722%0.21726%0.256CS..Hα-helixtrans-59.5-38.8177.9-69.8-173.2-61.900112.2I85 L173 R174 Q180 F181 W193 P195I85-M177 HydrophobicContact CD1-CG 3.78Å; L173-M177 HydrophobicContact CD2-CE 4.49Å; L173-M177 HydrophobicContact CG-CE 4Å; L173-M177 HydrophobicContact CG-SD 4.42Å; L173-M177 WeakPolarHBondContact O-CG 3.25Å; L173-M177 PolarHBondContact O-N 2.77Å; R174-M177 PolarHBondContact O-N 2.74Å; M177-Q180 PolarHBondContact O-N 3.23Å; M177-F181 WeakPolarHBondContact O-CB 3.47Å; M177-F181 PolarHBondContact O-N 2.86Å; M177-W193 HydrophobicContact CB-CH2 4.42Å; M177-W193 HydrophobicContact CB-CZ3 4.12Å; M177-P195 HydrophobicContact CE-CG 3.9Å; M177-P195 HydrophobicContact SD-CG 3.82Å
178A98.7Very high98.2Very high12 Ų1251.2 Ų51.210%0.09927%0.268CS..Hα-helixtrans-64.1-47.217800000111.6R174 V175 V176 Q180 F181 V182 C189 W193R174-A178 WeakPolarHBondContact O-CB 3.22Å; R174-A178 PolarHBondContact O-N 2.62Å; V175-A178 PolarHBondContact O-N 3.44Å; V176-A178 VanDerWaalsContact C-N 3.28Å; V176-A178 PolarHBondContact O-N 3.31Å; A178-Q180 VanDerWaalsContact C-N 3.35Å; A178-Q180 PolarHBondContact O-N 3.12Å; A178-F181 WeakPolarHBondContact O-CB 3.37Å; A178-F181 PolarHBondContact O-N 3.16Å; A178-V182 VanDerWaalsContact O-CG2 3.32Å; A178-V182 WeakPolarHBondContact O-CG2 3.4Å; A178-V182 PolarHBondContact O-N 3.34Å; A178-C189 HydrophobicContact CB-CB 4.34Å; A178-W193 HydrophobicContact CB-CE3 3.63Å; A178-W193 HydrophobicContact CB-CZ3 3.72Å
179F98.7Very high98.2Very high51 Ų5150 Ų5022%0.22426%0.259CS..Hα-helixtrans-65.7-37.4177.8-78.8-67.2000113W54 R156 H157 V175 V176 F181 V182 E183W54-F179 HydrophobicContact CH2-CB 3.34Å; W54-F179 HydrophobicContact CH2-CG 4.15Å; W54-F179 HydrophobicContact CZ2-CB 4.08Å; W54-F179 HydrophobicContact CZ3-CB 3.79Å; W54-F179 HydrophobicContact CZ3-CG 4.35Å; R156-F179 HydrophobicContact CB-CD1 4.15Å; R156-F179 HydrophobicContact CB-CD2 3.9Å; R156-F179 HydrophobicContact CB-CE1 4.01Å; R156-F179 HydrophobicContact CB-CE2 3.75Å; R156-F179 HydrophobicContact CB-CG 4.11Å; R156-F179 HydrophobicContact CB-CZ 3.82Å; R156-F179 WeakPolarHBondContact O-CZ 3.33Å; H157-F179 HydrophobicContact CB-CE2 3.97Å; V175-F179 HydrophobicContact CG1-CD2 3.8Å; V175-F179 HydrophobicContact CG1-CE2 3.64Å; V175-F179 VanDerWaalsContact O-CD2 3.26Å; V175-F179 WeakPolarHBondContact O-CD2 3.32Å; V175-F179 PolarHBondContact O-N 2.81Å; V176-F179 PolarHBondContact O-N 3.5Å; F179-F181 VanDerWaalsContact C-N 3.32Å; F179-V182 PolarHBondContact O-N 2.59Å; F179-E183 PolarHBondContact O-N 3.11Å
180Q98.5Very high98.2Very high45 Ų4550.6 Ų50.621%0.2126%0.263CS..Hα-helixtrans-62.9-39.5173.4-73.4-178.91.400112.3W54 I85 V176 M177 A178 E183 K184W54-Q180 HydrophobicContact CD2-CG 4.27Å; W54-Q180 HydrophobicContact CG-CG 4.5Å; W54-Q180 HydrophobicContact CZ2-CG 3.98Å; I85-Q180 PolarHBondContact O-NE2 2.95Å; V176-Q180 HydrophobicContact CG1-CG 4.46Å; V176-Q180 WeakPolarHBondContact O-CG 3.14Å; V176-Q180 PolarHBondContact O-N 2.87Å; M177-Q180 PolarHBondContact O-N 3.23Å; A178-Q180 VanDerWaalsContact C-N 3.35Å; A178-Q180 PolarHBondContact O-N 3.12Å; Q180-E183 PolarHBondContact O-N 2.85Å; Q180-K184 WeakPolarHBondContact O-CB 3.36Å; Q180-K184 PolarHBondContact O-N 3.16Å
181F98.5Very high98.2Very high49 Ų4950.1 Ų50.122%0.21527%0.273CS..Hα-helixtrans-61.6-49.1174.7-174.1-81.7000111M177 A178 F179 E183 K184 H185 E187 W193 T199M177-F181 WeakPolarHBondContact O-CB 3.47Å; M177-F181 PolarHBondContact O-N 2.86Å; A178-F181 WeakPolarHBondContact O-CB 3.37Å; A178-F181 PolarHBondContact O-N 3.16Å; F179-F181 VanDerWaalsContact C-N 3.32Å; F181-E183 VanDerWaalsContact C-N 3.33Å; F181-E183 PolarHBondContact O-N 2.85Å; F181-K184 PolarHBondContact O-N 2.64Å; F181-H185 HydrophobicContact CD1-CB 4.27Å; F181-H185 AromaticContact CD2-CD2 3.47Å; F181-H185 VanDerWaalsContact CD2-CD2 3.47Å; F181-H185 WeakPolarHBondContact CD2-CD2 3.01Å; F181-H185 AromaticContact CD2-NE2 3.92Å; F181-H185 HydrophobicContact CE1-CB 3.87Å; F181-H185 AromaticContact CE1-CD2 3.95Å; F181-H185 AromaticContact CE2-CD2 3.43Å; F181-H185 VanDerWaalsContact CE2-CD2 3.43Å; F181-H185 WeakPolarHBondContact CE2-CD2 3.37Å; F181-H185 AromaticContact CE2-NE2 3.77Å; F181-H185 AromaticContact CG-CD2 3.77Å; F181-H185 HydrophobicContact CZ-CB 4.14Å; F181-H185 AromaticContact CZ-CD2 3.68Å; F181-H185 AromaticContact CZ-CG 3.87Å; F181-H185 WeakPolarHBondContact O-CB 3.39Å; F181-H185 PolarHBondContact O-CD2 3.02Å; F181-H185 VanDerWaalsContact O-CD2 3.32Å; F181-H185 PolarHBondContact O-N 2.8Å; F181-E187 HydrophobicContact CE1-CB 4.14Å; F181-W193 HydrophobicContact CB-CH2 3.88Å; F181-W193 HydrophobicContact CB-CZ2 3.89Å; F181-W193 HydrophobicContact CD1-CZ2 4.37Å; F181-W193 HydrophobicContact CD2-CH2 4.31Å; F181-W193 AromaticContact CD2-CZ2 3.69Å; F181-W193 HydrophobicContact CD2-CZ2 3.69Å; F181-W193 HydrophobicContact CE2-CZ2 4.34Å; F181-W193 HydrophobicContact CG-CH2 4.21Å; F181-W193 AromaticContact CG-CZ2 3.71Å; F181-W193 HydrophobicContact CG-CZ2 3.71Å; F181-T199 HydrophobicContact CD1-CG2 4.18Å; F181-T199 HydrophobicContact CE1-CG2 3.52Å; F181-T199 HydrophobicContact CZ-CG2 3.85Å
182V98.2Very high98.1Very high45 Ų4553.3 Ų53.327%0.27329%0.292SS..Hα-helixtrans-58.3-44.7178.1175.50000111.1A178 F179 K184 G186 E187A178-V182 VanDerWaalsContact O-CG2 3.32Å; A178-V182 WeakPolarHBondContact O-CG2 3.4Å; A178-V182 PolarHBondContact O-N 3.34Å; F179-V182 PolarHBondContact O-N 2.59Å; V182-K184 VanDerWaalsContact C-N 3.34Å; V182-K184 PolarHBondContact O-N 2.75Å; V182-G186 WeakPolarHBondContact O-CA 3.48Å; V182-G186 PolarHBondContact O-N 2.7Å; V182-E187 WeakPolarHBondContact CA-O 3.25Å; V182-E187 WeakPolarHBondContact CG2-O 3.43Å
183E96.5Very high98Very high93 Ų9353.4 Ų53.444%0.43529%0.291SS..Hα-helixtrans-65-36.3178.9-175.9164-151.100112.5K152 F179 Q180 F181K152-E183 IonicContact NZ-OE1 3.54Å; K152-E183 PolarHBondContact NZ-OE1 3Å; F179-E183 PolarHBondContact O-N 3.11Å; Q180-E183 PolarHBondContact O-N 2.85Å; F181-E183 VanDerWaalsContact C-N 3.33Å; F181-E183 PolarHBondContact O-N 2.85Å
184K97.2Very high98Very high166 Ų16659 Ų5972%0.72232%0.315SS*.Hα-helixtrans-78.3-37.7-179.2-177.6177175.2-173.40113.5Q180 F181 V182Q180-K184 WeakPolarHBondContact O-CB 3.36Å; Q180-K184 PolarHBondContact O-N 3.16Å; F181-K184 PolarHBondContact O-N 2.64Å; V182-K184 VanDerWaalsContact C-N 3.34Å; V182-K184 PolarHBondContact O-N 2.75Å
185H97.6Very high97.8Very high93 Ų9359.6 Ų59.643%0.43133%0.326SS..Hα-helixtrans-109.3-20.1-167.6-65.8-77.6000114.2F181 E187F181-H185 HydrophobicContact CD1-CB 4.27Å; F181-H185 AromaticContact CD2-CD2 3.47Å; F181-H185 VanDerWaalsContact CD2-CD2 3.47Å; F181-H185 WeakPolarHBondContact CD2-CD2 3.01Å; F181-H185 AromaticContact CD2-NE2 3.92Å; F181-H185 HydrophobicContact CE1-CB 3.87Å; F181-H185 AromaticContact CE1-CD2 3.95Å; F181-H185 AromaticContact CE2-CD2 3.43Å; F181-H185 VanDerWaalsContact CE2-CD2 3.43Å; F181-H185 WeakPolarHBondContact CE2-CD2 3.37Å; F181-H185 AromaticContact CE2-NE2 3.77Å; F181-H185 AromaticContact CG-CD2 3.77Å; F181-H185 HydrophobicContact CZ-CB 4.14Å; F181-H185 AromaticContact CZ-CD2 3.68Å; F181-H185 AromaticContact CZ-CG 3.87Å; F181-H185 WeakPolarHBondContact O-CB 3.39Å; F181-H185 PolarHBondContact O-CD2 3.02Å; F181-H185 VanDerWaalsContact O-CD2 3.32Å; F181-H185 PolarHBondContact O-N 2.8Å; H185-E187 PolarHBondContact O-N 2.85Å
186G97.1Very high97.6Very high48 Ų4867.4 Ų67.450%0.49537%0.367SS..SBendtrans70.63.1-175.200000114.5V182 P202V182-G186 WeakPolarHBondContact O-CA 3.48Å; V182-G186 PolarHBondContact O-N 2.7Å; G186-P202 WeakPolarHBondContact O-CD 3.48Å; G186-P202 WeakPolarHBondContact O-CG 3.21Å
187E97.6Very high97.5Very high44 Ų4469.3 Ų69.321%0.20638%0.381CS..  trans-88.9161.5170.6-62.1-172.8-154.800110.8F181 V182 H185 T199 I200 K201F181-E187 HydrophobicContact CE1-CB 4.14Å; V182-E187 WeakPolarHBondContact CA-O 3.25Å; V182-E187 WeakPolarHBondContact CG2-O 3.43Å; H185-E187 PolarHBondContact O-N 2.85Å; E187-T199 WeakPolarHBondContact OE2-CB 3.49Å; E187-T199 PolarHBondContact OE2-OG1 3.17Å; E187-I200 WeakPolarHBondContact CA-O 3.48Å; E187-K201 HydrophobicContact CG-CG 3.9Å
188V98.2Very high97.4Very high60 Ų6069.8 Ų69.836%0.36439%0.387SS..BIsolated β-bridgetrans-106.2145.4177.3-56.10000112.1I200 P202V188-I200 HydrophobicContact CG2-CB 3.71Å; V188-I200 HydrophobicContact CG2-CD1 4.44Å; V188-I200 HydrophobicContact CG2-CG2 4.28Å; V188-I200 WeakPolarHBondContact CG2-O 3.47Å; V188-I200 PolarHBondContact N-O 3.08Å; V188-I200 PolarHBondContact O-N 3.18Å; V188-P202 HydrophobicContact CG1-CB 4.13Å; V188-P202 HydrophobicContact CG1-CG 4.44Å
189C98.3Very high97.4Very high35 Ų3570.5 Ų70.524%0.23639%0.39CS..  trans-89.2122.5-179.5-64.50000110.8A178 W193A178-C189 HydrophobicContact CB-CB 4.34Å; C189-W193 HydrophobicContact CB-CB 3.76Å; C189-W193 HydrophobicContact CB-CD2 3.96Å; C189-W193 HydrophobicContact CB-CE3 4.46Å; C189-W193 HydrophobicContact CB-CG 3.63Å; C189-W193 VanDerWaalsContact SG-CD2 3.59Å
190P98Very high97.4Very high25 Ų2569.3 Ų69.316%0.16239%0.386CS..  trans-69.4175.4175.129.7-37000112.8N192 W193 P198 I200 Y210P190-N192 PolarHBondContact O-N 3.16Å; P190-W193 HydrophobicContact CG-CB 4.35Å; P190-W193 VanDerWaalsContact O-CB 3.23Å; P190-W193 WeakPolarHBondContact O-CB 3.39Å; P190-W193 PolarHBondContact O-N 2.99Å; P190-W193 VanDerWaalsContact O-N 3.17Å; P190-P198 WeakPolarHBondContact CD-O 3.5Å; P190-P198 VanDerWaalsContact CG-O 3.28Å; P190-P198 WeakPolarHBondContact CG-O 2.88Å; P190-I200 HydrophobicContact CB-CD1 4.28Å; P190-Y210 HydrophobicContact CB-CE2 4.35Å; P190-Y210 VanDerWaalsContact CB-OH 3.32Å; P190-Y210 WeakPolarHBondContact CB-OH 3.48Å; P190-Y210 HydrophobicContact CG-CE2 3.96Å
191A97.6Very high97.4Very high89 Ų8970.2 Ų70.274%0.73639%0.389SS*.THydrogen-bonded Turntrans-53.9139171.800000111.1W193A191-W193 PolarHBondContact O-N 3.38Å
192N96.6Very high97.3Very high142 Ų14272.2 Ų72.276%0.75941%0.407SS*.THydrogen-bonded Turntrans60.118-178.5-50.8-45.5000115.3P190 K194P190-N192 PolarHBondContact O-N 3.16Å; N192-K194 PolarHBondContact O-N 3.03Å
193W98.4Very high97.2Very high8 Ų871.6 Ų71.63%0.0341%0.405CS..  trans-55.6134.5176.5178.292.6000111.7R174 M177 A178 F181 C189 P190 A191 S197R174-W193 WeakPolarHBondContact CD-O 3.5Å; R174-W193 VanDerWaalsContact CG-O 3.27Å; R174-W193 WeakPolarHBondContact CG-O 3.26Å; R174-W193 PolarHBondContact NH1-O 2.94Å; R174-W193 VanDerWaalsContact NH1-O 3.08Å; M177-W193 HydrophobicContact CB-CH2 4.42Å; M177-W193 HydrophobicContact CB-CZ3 4.12Å; A178-W193 HydrophobicContact CB-CE3 3.63Å; A178-W193 HydrophobicContact CB-CZ3 3.72Å; F181-W193 HydrophobicContact CB-CH2 3.88Å; F181-W193 HydrophobicContact CB-CZ2 3.89Å; F181-W193 HydrophobicContact CD1-CZ2 4.37Å; F181-W193 HydrophobicContact CD2-CH2 4.31Å; F181-W193 AromaticContact CD2-CZ2 3.69Å; F181-W193 HydrophobicContact CD2-CZ2 3.69Å; F181-W193 HydrophobicContact CE2-CZ2 4.34Å; F181-W193 HydrophobicContact CG-CH2 4.21Å; F181-W193 AromaticContact CG-CZ2 3.71Å; F181-W193 HydrophobicContact CG-CZ2 3.71Å; C189-W193 HydrophobicContact CB-CB 3.76Å; C189-W193 HydrophobicContact CB-CD2 3.96Å; C189-W193 HydrophobicContact CB-CE3 4.46Å; C189-W193 HydrophobicContact CB-CG 3.63Å; C189-W193 VanDerWaalsContact SG-CD2 3.59Å; P190-W193 HydrophobicContact CG-CB 4.35Å; P190-W193 VanDerWaalsContact O-CB 3.23Å; P190-W193 WeakPolarHBondContact O-CB 3.39Å; P190-W193 PolarHBondContact O-N 2.99Å; P190-W193 VanDerWaalsContact O-N 3.17Å; A191-W193 PolarHBondContact O-N 3.38Å; W193-S197 PolarHBondContact NE1-O 3.17Å
194K97Very high97.3Very high133 Ų13373 Ų7358%0.57842%0.422SS*.  trans-127.7166.1170.6-68.2-177.6-179.3-177.40108.7N192 D196 S197N192-K194 PolarHBondContact O-N 3.03Å; K194-D196 PolarHBondContact O-N 2.86Å; K194-S197 PolarHBondContact N-OG 2.89Å; K194-S197 WeakPolarHBondContact O-CB 3.33Å; K194-S197 PolarHBondContact O-N 2.94Å; K194-S197 PolarHBondContact O-OG 3.34Å
195P95.2Very high97.3Very high63 Ų6368.6 Ų68.641%0.40942%0.416SS..THydrogen-bonded Turntrans-45.5141.4167.8-28.636.4000111.5M177 S197M177-P195 HydrophobicContact CE-CG 3.9Å; M177-P195 HydrophobicContact SD-CG 3.82Å; P195-S197 PolarHBondContact O-N 2.72Å; P195-S197 VanDerWaalsContact O-N 3.13Å
196D94.5Very high97.3Very high171 Ų17168.8 Ų68.891%0.91442%0.417SS*.THydrogen-bonded Turntrans663.1-176.8-45.9-46.9000116.2K194K194-D196 PolarHBondContact O-N 2.86Å
197S96.6Very high97.3Very high40 Ų4067.1 Ų67.128%0.2840%0.399SS..  trans-75.4149.1172.4-59.40000111.8W193 K194 P195W193-S197 PolarHBondContact NE1-O 3.17Å; K194-S197 PolarHBondContact N-OG 2.89Å; K194-S197 WeakPolarHBondContact O-CB 3.33Å; K194-S197 PolarHBondContact O-N 2.94Å; K194-S197 PolarHBondContact O-OG 3.34Å; P195-S197 PolarHBondContact O-N 2.72Å; P195-S197 VanDerWaalsContact O-N 3.13Å
198P96.9Very high97.3Very high53 Ų5371.9 Ų71.934%0.34442%0.419SS..  trans-57.8143.6173.9-21.332.1000112.5P190 Y210P190-P198 WeakPolarHBondContact CD-O 3.5Å; P190-P198 VanDerWaalsContact CG-O 3.28Å; P190-P198 WeakPolarHBondContact CG-O 2.88Å; P198-Y210 HydrophobicContact CB-CD2 3.94Å; P198-Y210 HydrophobicContact CB-CE2 3.91Å
199T98.2Very high97.2Very high27 Ų2774.6 Ų74.617%0.16643%0.428CS..  trans-122.7169.9-178.7420000110.9F181 E187 Y210F181-T199 HydrophobicContact CD1-CG2 4.18Å; F181-T199 HydrophobicContact CE1-CG2 3.52Å; F181-T199 HydrophobicContact CZ-CG2 3.85Å; E187-T199 WeakPolarHBondContact OE2-CB 3.49Å; E187-T199 PolarHBondContact OE2-OG1 3.17Å; T199-Y210 VanDerWaalsContact O-CD2 3.31Å; T199-Y210 WeakPolarHBondContact O-CD2 3.41Å
200I98.3Very high97.2Very high26 Ų2675 Ų7513%0.13342%0.424CS..BIsolated β-bridgetrans-118.7122.3-175-54.1164.5000108.8E187 V188 P190 A207 Y210E187-I200 WeakPolarHBondContact CA-O 3.48Å; V188-I200 HydrophobicContact CG2-CB 3.71Å; V188-I200 HydrophobicContact CG2-CD1 4.44Å; V188-I200 HydrophobicContact CG2-CG2 4.28Å; V188-I200 WeakPolarHBondContact CG2-O 3.47Å; V188-I200 PolarHBondContact N-O 3.08Å; V188-I200 PolarHBondContact O-N 3.18Å; P190-I200 HydrophobicContact CB-CD1 4.28Å; I200-A207 HydrophobicContact CG2-CB 3.67Å; I200-Y210 HydrophobicContact CB-CG 4.5Å; I200-Y210 HydrophobicContact CD1-CD1 3.87Å; I200-Y210 HydrophobicContact CD1-CE1 3.8Å; I200-Y210 HydrophobicContact CD1-CG 4.29Å; I200-Y210 HydrophobicContact CG1-CD1 3.54Å; I200-Y210 HydrophobicContact CG1-CD2 3.7Å; I200-Y210 HydrophobicContact CG1-CE1 3.88Å; I200-Y210 HydrophobicContact CG1-CE2 4.02Å; I200-Y210 HydrophobicContact CG1-CG 3.45Å; I200-Y210 VanDerWaalsContact CG1-CG 3.45Å
201K98Very high97.2Very high64 Ų6478.9 Ų78.928%0.27844%0.439SS..  trans-70.1122.4165.9-68.8168-173158.30108.7E187 S203 E206 E209E187-K201 HydrophobicContact CG-CG 3.9Å; K201-S203 PolarHBondContact O-N 2.86Å; K201-E206 HydrophobicContact CB-CB 3.59Å; K201-E206 HydrophobicContact CD-CB 3.92Å; K201-E206 HydrophobicContact CD-CG 4.4Å; K201-E206 HydrophobicContact CG-CB 4.41Å; K201-E209 IonicContact NZ-OE2 2.87Å; K201-E209 PolarHBondContact NZ-OE2 3.35Å
202P97Very high97.1Very high92 Ų9279 Ų7960%0.59743%0.434SS*.SBendtrans-80.452.7-167.533.6-37.6000113.2G186 V188G186-P202 WeakPolarHBondContact O-CD 3.48Å; G186-P202 WeakPolarHBondContact O-CG 3.21Å; V188-P202 HydrophobicContact CG1-CB 4.13Å; V188-P202 HydrophobicContact CG1-CG 4.44Å
203S97.2Very high97Very high32 Ų3279.7 Ų79.722%0.22443%0.43CS..SBendtrans-129.8144.5169.2810000110.3K201 A205 E206 A207K201-S203 PolarHBondContact O-N 2.86Å; S203-A205 PolarHBondContact O-N 3.41Å; S203-A205 VanDerWaalsContact O-N 3.1Å; S203-E206 WeakPolarHBondContact CB-OE2 3.36Å; S203-E206 PolarHBondContact O-N 3.25Å; S203-E206 VanDerWaalsContact OG-CB 3.25Å; S203-E206 WeakPolarHBondContact OG-CB 3.42Å; S203-E206 VanDerWaalsContact OG-CG 3.23Å; S203-E206 WeakPolarHBondContact OG-CG 3.44Å; S203-E206 PolarHBondContact OG-N 3.21Å; S203-E206 VanDerWaalsContact OG-N 3.16Å; S203-E206 PolarHBondContact OG-OE2 2.99Å; S203-A207 WeakPolarHBondContact O-CB 3.26Å; S203-A207 PolarHBondContact O-N 3.37Å
204P96.9Very high96.9Very high122 Ų12282.4 Ų82.479%0.79245%0.448SS*.THydrogen-bonded Turntrans-57-28.6-178.8-27.935.3000114.6
205A97.5Very high96.8Very high73 Ų7381 Ų8160%0.60345%0.447SS*.THydrogen-bonded Turntrans-79.5-49.5178.400000111.7S203 K208S203-A205 PolarHBondContact O-N 3.41Å; S203-A205 VanDerWaalsContact O-N 3.1Å; A205-K208 WeakPolarHBondContact O-CB 3.33Å; A205-K208 PolarHBondContact O-N 2.91Å
206E97.3Very high96.2Very high98 Ų9891.6 Ų91.646%0.45849%0.486SS..THydrogen-bonded Turntrans-77.2-29.7-174.3-61.6169.8106.100112.6K201 S203 K208 E209K201-E206 HydrophobicContact CB-CB 3.59Å; K201-E206 HydrophobicContact CD-CB 3.92Å; K201-E206 HydrophobicContact CD-CG 4.4Å; K201-E206 HydrophobicContact CG-CB 4.41Å; S203-E206 WeakPolarHBondContact CB-OE2 3.36Å; S203-E206 PolarHBondContact O-N 3.25Å; S203-E206 VanDerWaalsContact OG-CB 3.25Å; S203-E206 WeakPolarHBondContact OG-CB 3.42Å; S203-E206 VanDerWaalsContact OG-CG 3.23Å; S203-E206 WeakPolarHBondContact OG-CG 3.44Å; S203-E206 PolarHBondContact OG-N 3.21Å; S203-E206 VanDerWaalsContact OG-N 3.16Å; S203-E206 PolarHBondContact OG-OE2 2.99Å; E206-K208 PolarHBondContact O-N 3.2Å; E206-E209 VanDerWaalsContact O-CB 3.27Å; E206-E209 WeakPolarHBondContact O-CB 3.27Å; E206-E209 PolarHBondContact O-N 3.27Å
207A97.8Very high96.3Very high12 Ų1287.6 Ų87.610%0.09947%0.465CS..Hα-helixtrans-58.8-23.5176.500000112.9I200 S203 E209 Y210 F211I200-A207 HydrophobicContact CG2-CB 3.67Å; S203-A207 WeakPolarHBondContact O-CB 3.26Å; S203-A207 PolarHBondContact O-N 3.37Å; A207-E209 PolarHBondContact O-N 3.05Å; A207-Y210 PolarHBondContact O-N 3.2Å; A207-F211 HydrophobicContact CB-CD2 4.21Å; A207-F211 HydrophobicContact CB-CE2 3.85Å; A207-F211 WeakPolarHBondContact O-CD2 3.44Å; A207-F211 PolarHBondContact O-N 3.31Å; A207-F211 VanDerWaalsContact O-N 3.13Å
208K97.2Very high96.3Very high145 Ų14590.1 Ų90.163%0.6347%0.474SS*.Hα-helixtrans-60-29.5175.1-63.9-180-178.7-179.90112.6A205 E206 F211 S212A205-K208 WeakPolarHBondContact O-CB 3.33Å; A205-K208 PolarHBondContact O-N 2.91Å; E206-K208 PolarHBondContact O-N 3.2Å; K208-F211 PolarHBondContact O-N 3.27Å; K208-S212 VanDerWaalsContact O-CB 3.28Å; K208-S212 WeakPolarHBondContact O-CB 3.23Å; K208-S212 PolarHBondContact O-N 3.29Å; K208-S212 PolarHBondContact O-OG 2.93Å; K208-S212 VanDerWaalsContact O-OG 3.09Å
209E97Very high96.2Very high117 Ų11792.2 Ų92.255%0.54748%0.482SS..Hα-helixtrans-56.4-52.5174.4-174.1-175.216700110.1K201 E206 A207 S212 K213K201-E209 IonicContact NZ-OE2 2.87Å; K201-E209 PolarHBondContact NZ-OE2 3.35Å; E206-E209 VanDerWaalsContact O-CB 3.27Å; E206-E209 WeakPolarHBondContact O-CB 3.27Å; E206-E209 PolarHBondContact O-N 3.27Å; A207-E209 PolarHBondContact O-N 3.05Å; E209-S212 PolarHBondContact O-OG 3.05Å; E209-K213 WeakPolarHBondContact O-CB 3.23Å; E209-K213 PolarHBondContact O-N 2.94Å
210Y97.9Very high96.1Very high44 Ų4496 Ų9617%0.17350%0.5CS..Hα-helixtrans-60.8-52.3176.4172.7-92.1000111.8P190 P198 T199 I200 A207 S212 K213 V214P190-Y210 HydrophobicContact CB-CE2 4.35Å; P190-Y210 VanDerWaalsContact CB-OH 3.32Å; P190-Y210 WeakPolarHBondContact CB-OH 3.48Å; P190-Y210 HydrophobicContact CG-CE2 3.96Å; P198-Y210 HydrophobicContact CB-CD2 3.94Å; P198-Y210 HydrophobicContact CB-CE2 3.91Å; T199-Y210 VanDerWaalsContact O-CD2 3.31Å; T199-Y210 WeakPolarHBondContact O-CD2 3.41Å; I200-Y210 HydrophobicContact CB-CG 4.5Å; I200-Y210 HydrophobicContact CD1-CD1 3.87Å; I200-Y210 HydrophobicContact CD1-CE1 3.8Å; I200-Y210 HydrophobicContact CD1-CG 4.29Å; I200-Y210 HydrophobicContact CG1-CD1 3.54Å; I200-Y210 HydrophobicContact CG1-CD2 3.7Å; I200-Y210 HydrophobicContact CG1-CE1 3.88Å; I200-Y210 HydrophobicContact CG1-CE2 4.02Å; I200-Y210 HydrophobicContact CG1-CG 3.45Å; I200-Y210 VanDerWaalsContact CG1-CG 3.45Å; A207-Y210 PolarHBondContact O-N 3.2Å; Y210-S212 VanDerWaalsContact C-N 3.29Å; Y210-S212 PolarHBondContact O-N 3.32Å; Y210-K213 WeakPolarHBondContact O-CB 3.49Å; Y210-K213 PolarHBondContact O-N 3.01Å; Y210-V214 HydrophobicContact CD1-CG2 4.04Å; Y210-V214 HydrophobicContact CD2-CG1 4.11Å; Y210-V214 HydrophobicContact CE1-CG1 4.39Å; Y210-V214 HydrophobicContact CE1-CG2 3.62Å; Y210-V214 HydrophobicContact CE2-CG1 3.78Å; Y210-V214 WeakPolarHBondContact O-CG2 3.47Å; Y210-V214 PolarHBondContact O-N 3.22Å
211F97.4Very high96Very high106 Ų106100.4 Ų100.447%0.46552%0.523SS..Hα-helixtrans-63.1-34.9-175.2-67.2-59.6000112.8A207 K208 K213 N215A207-F211 HydrophobicContact CB-CD2 4.21Å; A207-F211 HydrophobicContact CB-CE2 3.85Å; A207-F211 WeakPolarHBondContact O-CD2 3.44Å; A207-F211 PolarHBondContact O-N 3.31Å; A207-F211 VanDerWaalsContact O-N 3.13Å; K208-F211 PolarHBondContact O-N 3.27Å; F211-K213 VanDerWaalsContact C-N 3.34Å; F211-N215 WeakPolarHBondContact O-CB 3.43Å; F211-N215 PolarHBondContact O-N 2.78Å; F211-N215 PolarHBondContact O-ND2 3.36Å
212S96.5Very high95.9Very high90 Ų90102.8 Ų102.863%0.62954%0.539SS*.Hα-helixtrans-68.7-32.3174.269.80000113K208 E209 Y210K208-S212 VanDerWaalsContact O-CB 3.28Å; K208-S212 WeakPolarHBondContact O-CB 3.23Å; K208-S212 PolarHBondContact O-N 3.29Å; K208-S212 PolarHBondContact O-OG 2.93Å; K208-S212 VanDerWaalsContact O-OG 3.09Å; E209-S212 PolarHBondContact O-OG 3.05Å; Y210-S212 VanDerWaalsContact C-N 3.29Å; Y210-S212 PolarHBondContact O-N 3.32Å
213K95.1Very high95.8Very high157 Ų157103.6 Ų103.668%0.68354%0.535SS*.Hα-helixtrans-76.5-36.4-178.6-176.4178179.6178.30112.9E209 Y210 F211E209-K213 WeakPolarHBondContact O-CB 3.23Å; E209-K213 PolarHBondContact O-N 2.94Å; Y210-K213 WeakPolarHBondContact O-CB 3.49Å; Y210-K213 PolarHBondContact O-N 3.01Å; F211-K213 VanDerWaalsContact C-N 3.34Å
214V95.7Very high95.7Very high66 Ų66109.1 Ų109.140%0.456%0.559SS.*Hα-helixtrans-98-7.8-172-54.60000114.4Y210Y210-V214 HydrophobicContact CD1-CG2 4.04Å; Y210-V214 HydrophobicContact CD2-CG1 4.11Å; Y210-V214 HydrophobicContact CE1-CG1 4.39Å; Y210-V214 HydrophobicContact CE1-CG2 3.62Å; Y210-V214 HydrophobicContact CE2-CG1 3.78Å; Y210-V214 WeakPolarHBondContact O-CG2 3.47Å; Y210-V214 PolarHBondContact O-N 3.22Å
215N95.1Very high95.6Very high104 Ų104108 Ų10856%0.55654%0.54SS*.  trans-112.5159.3177.4-63.1-74.2000110.9F211F211-N215 WeakPolarHBondContact O-CB 3.43Å; F211-N215 PolarHBondContact O-N 2.78Å; F211-N215 PolarHBondContact O-ND2 3.36Å
216K82.2Confident95.4Very high284 Ų284111.2 Ų111.2100%1.23553%0.534SS*.  trans-880174.2-67.7-176.8-179.6179.60111.4

Retrieved 216 of 216 residues in 499.9 ms (Link to these results)

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