A0A077Z7S1_TRITR Loading...

PID 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7S1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 309 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M54.1Low66.9Low223 Ų223175.1 Ų175.1100%1.09985%0.852SS**  0110.30-67.5-67.6-179.100108.2L3M1-L3 PolarHBondContact O-N 3.27Å
2P52.5Low67.6Low131 Ų131170.1 Ų170.185%0.85184%0.839SS**  trans-76.2110.5179.930.6-28.6000109.3F4P2-F4 PolarHBondContact O-N 3.49Å
3L65.8Low68.4Low155 Ų155166.1 Ų166.181%0.81282%0.823SS**  trans-79.820.1-174-93.7160.5000114.9M1M1-L3 PolarHBondContact O-N 3.27Å
4F66.1Low69.4Low193 Ų193165 Ų16585%0.84681%0.814SS**  trans-125.385.8-178.8-59.7-69.6000110.5P2 R6P2-F4 PolarHBondContact O-N 3.49Å; F4-R6 PolarHBondContact O-N 3.39Å
5G64.3Low70.5Confident71 Ų71161.6 Ų161.673%0.73281%0.81SS**  trans-55.1135.3168.900000111R7G5-R7 PolarHBondContact O-N 3.45Å
6R66.9Low71.8Confident246 Ų246155.7 Ų155.793%0.92878%0.781SS**  trans-55.2108-178.7-158.6178-164.5-164.14.2110.1F4 R8F4-R6 PolarHBondContact O-N 3.39Å; R6-R8 PolarHBondContact O-N 2.67Å
7R69.6Low73.1Confident240 Ų240148.8 Ų148.891%0.90675%0.75SS**PPolyproline II helixtrans-54.4120.4173-83.2-178.2173.1179.3-1.7109.4G5G5-R7 PolarHBondContact O-N 3.45Å
8R75.2Confident74.3Confident249 Ų249143.3 Ų143.394%0.9473%0.732SS**PPolyproline II helixtrans-84.9123.5169.6-70.2-177.7179.9171.80.1108.6R6R6-R8 PolarHBondContact O-N 2.67Å
9T74Confident75.5Confident140 Ų140138 Ų13886%0.85970%0.702SS**PPolyproline II helixtrans-97.2135.817247.80000109.1
10F73.4Confident76.5Confident176 Ų176139.8 Ų139.877%0.77271%0.707SS**  trans-124.2131.5173.6178.7-99.8000109.2V12F10-V12 HydrophobicContact CD1-CG2 4.24Å; F10-V12 PolarHBondContact O-N 3.11Å
11T74.1Confident77.5Confident102 Ų102133.3 Ų133.363%0.62668%0.675SS**  trans-87.5103.8177.9-56.10000109N13T11-N13 VanDerWaalsContact C-N 3.3Å; T11-N13 VanDerWaalsContact CG2-O 3.26Å; T11-N13 WeakPolarHBondContact CG2-O 3.33Å; T11-N13 PolarHBondContact O-N 3.14Å
12V75Confident79.5Confident115 Ų115124.4 Ų124.470%0.69763%0.631SS**SBendtrans-62-37.1-176.81790000112.3F10F10-V12 HydrophobicContact CD1-CG2 4.24Å; F10-V12 PolarHBondContact O-N 3.11Å
13N78.4Confident81.6Confident118 Ų118119.6 Ų119.663%0.63160%0.596SS**SBendtrans-135.1126.3178.1-67.7-55.5000109.8T11T11-N13 VanDerWaalsContact C-N 3.3Å; T11-N13 VanDerWaalsContact CG2-O 3.26Å; T11-N13 WeakPolarHBondContact CG2-O 3.33Å; T11-N13 PolarHBondContact O-N 3.14Å
14E81.9Confident83Confident151 Ų151112.6 Ų112.671%0.70656%0.56SS**PPolyproline II helixtrans-58.4139.9168.9-65.6179.1170.900110
15P87Confident84.4Confident114 Ų114104 Ų10474%0.7453%0.526SS*.PPolyproline II helixtrans-62.3142176.727.1-34000110.4
16D90.9Very high85.9Confident67 Ų67103.5 Ų103.536%0.35851%0.506SS..PPolyproline II helixtrans-60.6128.2178-74.2-28.3000110.4A18 V62 V63 T64D16-A18 PolarHBondContact O-N 3.43Å; D16-V62 HydrophobicContact CB-CG1 3.65Å; D16-V63 WeakPolarHBondContact CB-O 3.35Å; D16-T64 WeakPolarHBondContact OD2-CA 3.43Å; D16-T64 WeakPolarHBondContact OD2-CB 3.49Å; D16-T64 WeakPolarHBondContact OD2-CG2 3.45Å
17P92.9Very high87.3Confident39 Ų3993.1 Ų93.125%0.25347%0.47SS..PPolyproline II helixtrans-67.5128.1-174.727.8-35.4000110.7Y19 V62 V63P17-Y19 HydrophobicContact CB-CE2 3.79Å; P17-Y19 HydrophobicContact CG-CE2 4.24Å; P17-V62 WeakPolarHBondContact O-CA 3.41Å; P17-V63 HydrophobicContact CG-CB 4.29Å; P17-V63 PolarHBondContact O-N 3.48Å
18A94.8Very high88.5Confident50 Ų5085.5 Ų85.541%0.41345%0.451SS..EExtended strand (participates in β ladder)trans-109.1140.6179.100000111.3D16 F61 V62D16-A18 PolarHBondContact O-N 3.43Å; A18-F61 CarbonylContact C-O 3.56Å; A18-F61 WeakPolarHBondContact CA-O 3.1Å; A18-V62 HydrophobicContact CB-CG2 3.88Å
19Y96.7Very high89.5Confident42 Ų4274 Ų7417%0.16541%0.409CS..EExtended strand (participates in β ladder)trans-134.5144.3-178.4-55.3-85.7000110.4P17 F61 F120 V129P17-Y19 HydrophobicContact CB-CE2 3.79Å; P17-Y19 HydrophobicContact CG-CE2 4.24Å; Y19-F61 PolarHBondContact N-O 3.04Å; Y19-F61 PolarHBondContact O-N 2.81Å; Y19-F120 HydrophobicContact CD1-CE1 4.13Å; Y19-F120 HydrophobicContact CD2-CE1 4.19Å; Y19-F120 AromaticContact CG-CE1 3.75Å; Y19-F120 HydrophobicContact CG-CE1 3.75Å; Y19-V129 HydrophobicContact CD2-CG2 3.8Å; Y19-V129 HydrophobicContact CE1-CG2 4.37Å; Y19-V129 HydrophobicContact CE2-CG2 3.38Å; Y19-V129 HydrophobicContact CG-CG2 4.44Å
20E96.7Very high90.4Very high174 Ų17472.9 Ų72.981%0.81340%0.404SS*.EExtended strand (participates in β ladder)trans-90.5123.5166.6-68.9178.6178.400109.1
21V97Very high91.3Very high4 Ų468.4 Ų68.42%0.02439%0.387CS..EExtended strand (participates in β ladder)trans-136.1161.8-176.4-55.70000110.7M59 F61 V118 L119 F120V21-M59 HydrophobicContact CG2-CB 4.14Å; V21-M59 HydrophobicContact CG2-CE 3.79Å; V21-M59 PolarHBondContact N-O 2.99Å; V21-M59 PolarHBondContact O-N 2.95Å; V21-F61 HydrophobicContact CG1-CB 4.09Å; V21-F61 HydrophobicContact CG2-CB 3.62Å; V21-F61 HydrophobicContact CG2-CD2 4.4Å; V21-F61 HydrophobicContact CG2-CG 4.23Å; V21-V118 HydrophobicContact CB-CB 4.29Å; V21-V118 HydrophobicContact CG2-CB 3.98Å; V21-V118 HydrophobicContact CG2-CG1 4.08Å; V21-L119 WeakPolarHBondContact CA-O 3.44Å; V21-L119 WeakPolarHBondContact CB-O 3.45Å; V21-F120 HydrophobicContact CG1-CD1 3.61Å; V21-F120 HydrophobicContact CG1-CD2 4.19Å; V21-F120 HydrophobicContact CG1-CE1 3.47Å; V21-F120 VanDerWaalsContact CG1-CE1 3.47Å; V21-F120 HydrophobicContact CG1-CE2 4.05Å; V21-F120 HydrophobicContact CG1-CG 3.97Å; V21-F120 HydrophobicContact CG1-CZ 3.7Å
22I96.1Very high92.2Very high35 Ų3565.2 Ų65.218%0.17937%0.371CS..EExtended strand (participates in β ladder)trans-98.7124.6170.1-60.7168.2000108L24 Y49 C56 I57 V118 L119I22-L24 HydrophobicContact CG2-CD2 4.5Å; I22-L24 PolarHBondContact O-N 3.45Å; I22-Y49 HydrophobicContact CG2-CE2 4.42Å; I22-C56 HydrophobicContact CD1-CB 4.48Å; I22-C56 HydrophobicContact CG2-CB 3.79Å; I22-I57 CarbonylContact C-O 3.58Å; I22-I57 WeakPolarHBondContact CA-O 3.33Å; I22-V118 CarbonylContact O-C 3.49Å; I22-V118 WeakPolarHBondContact O-CA 3.43Å; I22-L119 HydrophobicContact CB-CB 4.32Å; I22-L119 PolarHBondContact N-O 3.14Å; I22-L119 PolarHBondContact O-N 2.84Å
23Y96.4Very high93.1Very high31 Ų3169.3 Ų69.312%0.12237%0.373CS..EExtended strand (participates in β ladder)trans-77121.4173.1-177.1-127000110.2G25 N26 I57 M59 H116 A117 V118Y23-G25 WeakPolarHBondContact CE2-O 3.39Å; Y23-N26 PolarHBondContact OH-ND2 2.88Å; Y23-N26 VanDerWaalsContact OH-ND2 3.16Å; Y23-I57 HydrophobicContact CD1-CD1 4.49Å; Y23-I57 PolarHBondContact N-O 3.39Å; Y23-M59 HydrophobicContact CD2-CE 4.15Å; Y23-M59 HydrophobicContact CD2-SD 4.27Å; Y23-M59 HydrophobicContact CG-CE 4.42Å; Y23-M59 HydrophobicContact CG-SD 4.07Å; Y23-H116 PolarHBondContact OH-ND1 2.94Å; Y23-A117 WeakPolarHBondContact CD2-O 3.47Å; Y23-V118 HydrophobicContact CD2-CG1 3.98Å
24L95.8Very high93.6Very high8 Ų865.6 Ų65.64%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-86.5-30-177.9-57.9-179.1000112I22 I45 W46 Y49 V97 A117 L119I22-L24 HydrophobicContact CG2-CD2 4.5Å; I22-L24 PolarHBondContact O-N 3.45Å; L24-I45 HydrophobicContact CB-CG2 3.41Å; L24-I45 VanDerWaalsContact CB-CG2 3.41Å; L24-I45 HydrophobicContact CD1-CG2 4.42Å; L24-W46 HydrophobicContact CD1-CE3 4.35Å; L24-W46 HydrophobicContact CD1-CZ3 4.48Å; L24-Y49 HydrophobicContact CD2-CD1 4.05Å; L24-Y49 HydrophobicContact CD2-CD2 3.37Å; L24-Y49 HydrophobicContact CD2-CE1 4.39Å; L24-Y49 HydrophobicContact CD2-CE2 3.76Å; L24-Y49 HydrophobicContact CD2-CG 3.53Å; L24-V97 HydrophobicContact CD1-CG1 4.3Å; L24-V97 HydrophobicContact CD1-CG2 4.15Å; L24-A117 HydrophobicContact CB-CB 4.3Å; L24-A117 WeakPolarHBondContact CB-O 3.39Å; L24-A117 HydrophobicContact CD1-CB 4.11Å; L24-A117 PolarHBondContact N-O 3.36Å; L24-L119 HydrophobicContact CD1-CB 4.22Å; L24-L119 HydrophobicContact CD2-CB 3.87Å; L24-L119 HydrophobicContact CG-CB 4.13Å
25G94.6Very high93.9Very high13 Ų1367.9 Ų67.913%0.13437%0.373CS..EExtended strand (participates in β ladder)trans131.4-165.4178.800000113Y23 A117Y23-G25 WeakPolarHBondContact CE2-O 3.39Å; G25-A117 PolarHBondContact O-N 2.91Å; G25-A117 VanDerWaalsContact O-N 3.13Å
26N95.6Very high94.1Very high59 Ų5963.8 Ų63.832%0.31635%0.352SS..EExtended strand (participates in β ladder)trans-140.8151.7177.166.396.1000111.7Y23 R114 C115Y23-N26 PolarHBondContact OH-ND2 2.88Å; Y23-N26 VanDerWaalsContact OH-ND2 3.16Å; N26-R114 PolarHBondContact OD1-NH1 3.22Å; N26-C115 CarbonylContact C-O 3.56Å; N26-C115 WeakPolarHBondContact CA-O 3.35Å; N26-C115 WeakPolarHBondContact CB-O 3.31Å
27V96.6Very high94.2Very high29 Ų2960.6 Ų60.618%0.17634%0.335CS..EExtended strand (participates in β ladder)trans-140137.6178.5168.40000108.9P41 L44 I45 R114 C115V27-P41 HydrophobicContact CB-CB 4.18Å; V27-P41 HydrophobicContact CG1-CB 4.02Å; V27-L44 HydrophobicContact CG1-CD1 3.89Å; V27-L44 HydrophobicContact CG2-CB 4.17Å; V27-I45 HydrophobicContact CB-CD1 4.28Å; V27-I45 HydrophobicContact CB-CG1 4.13Å; V27-I45 HydrophobicContact CG2-CD1 4.19Å; V27-I45 HydrophobicContact CG2-CG1 3.51Å; V27-R114 WeakPolarHBondContact O-CA 3.26Å; V27-C115 PolarHBondContact N-O 2.95Å; V27-C115 PolarHBondContact O-N 3.32Å
28P95.5Very high94.3Very high79 Ų7959.1 Ų59.151%0.51333%0.325SS..EExtended strand (participates in β ladder)trans-60.9139.5173.425.5-34.7000111.4E112 L113P28-E112 WeakPolarHBondContact CB-OE1 3.43Å; P28-L113 WeakPolarHBondContact CA-O 3.4Å
29T95.4Very high94.3Very high9 Ų961.3 Ų61.36%0.05533%0.33CS..  trans-131136.6178.8-176.90000110.4M31 I101 L113 C115T29-M31 VanDerWaalsContact C-N 3.29Å; T29-M31 PolarHBondContact OG1-N 2.98Å; T29-I101 HydrophobicContact CG2-CD1 4.15Å; T29-I101 HydrophobicContact CG2-CG1 4.34Å; T29-I101 HydrophobicContact CG2-CG2 3.81Å; T29-L113 HydrophobicContact CG2-CB 3.99Å; T29-L113 PolarHBondContact N-O 3.17Å; T29-L113 VanDerWaalsContact O-CB 3.24Å; T29-L113 WeakPolarHBondContact O-CB 3.4Å; T29-C115 HydrophobicContact CG2-CB 4.27Å
30P92.9Very high94.2Very high115 Ų11568.9 Ų68.975%0.74736%0.358SS*.SBendtrans-76.1-18.817730.2-34.2000113
31M93.7Very high94.2Very high83 Ų8360.9 Ų60.941%0.40932%0.321SS..  trans-104130.6-172.8-68.7177.6-81.900111.1T29 C37 I101T29-M31 VanDerWaalsContact C-N 3.29Å; T29-M31 PolarHBondContact OG1-N 2.98Å; M31-C37 HydrophobicContact CB-CB 3.71Å; M31-C37 HydrophobicContact SD-CB 4.31Å; M31-I101 WeakPolarHBondContact O-CD1 3.32Å
32A92.8Very high94.2Very high35 Ų3560.7 Ų60.729%0.28932%0.32SS..SBendtrans-83-30.9178.900000113.5T86 Y87 L113A32-T86 HydrophobicContact CB-CG2 4.35Å; A32-T86 VanDerWaalsContact O-CB 3.3Å; A32-T86 WeakPolarHBondContact O-CB 3.34Å; A32-T86 PolarHBondContact O-OG1 2.99Å; A32-Y87 WeakPolarHBondContact O-CB 3Å; A32-L113 HydrophobicContact CB-CD1 3.7Å; A32-L113 HydrophobicContact CB-CD2 4.37Å
33R92.9Very high94.2Very high201 Ų20159.7 Ų59.776%0.75832%0.318SS*.SBendtrans-163.9170.7-175.764.5179.9-175.8175.71.4109.4Y87R33-Y87 HydrophobicContact CB-CD2 4.32Å
34G88.9Confident94.2Very high39 Ų3961.4 Ų61.440%0.40233%0.329SS..SBendtrans116.2170.5176.200000112.2C37G34-C37 WeakPolarHBondContact O-CB 3.48Å; G34-C37 PolarHBondContact O-N 3.37Å; G34-C37 PolarHBondContact O-SG 3.18Å
35E88.4Confident94.2Very high200 Ų20061.2 Ų61.294%0.93533%0.328SS*.THydrogen-bonded Turntrans-63.9138.4175.5-168.4171.1-174.700110.4C37E35-C37 PolarHBondContact O-N 3.29Å; E35-C37 VanDerWaalsContact O-N 3.11Å
36G91Very high94.3Very high28 Ų2863.7 Ų63.729%0.28933%0.333SS..THydrogen-bonded Turntrans70.4-0.6-179.200000116.6V38 D39G36-V38 PolarHBondContact O-N 3.27Å; G36-D39 WeakPolarHBondContact CA-OD2 3.45Å; G36-D39 PolarHBondContact O-N 3.12Å; G36-D39 VanDerWaalsContact O-N 3.14Å
37C93.6Very high94.2Very high0 Ų068 Ų680%035%0.345CS..THydrogen-bonded Turntrans-61.6-21-17769.10000114.2M31 G34 E35 Y87 I101M31-C37 HydrophobicContact CB-CB 3.71Å; M31-C37 HydrophobicContact SD-CB 4.31Å; G34-C37 WeakPolarHBondContact O-CB 3.48Å; G34-C37 PolarHBondContact O-N 3.37Å; G34-C37 PolarHBondContact O-SG 3.18Å; E35-C37 PolarHBondContact O-N 3.29Å; E35-C37 VanDerWaalsContact O-N 3.11Å; C37-Y87 WeakPolarHBondContact SG-CD1 3.41Å; C37-Y87 VanDerWaalsContact SG-CE1 3.51Å; C37-I101 HydrophobicContact CB-CD1 4.35Å
38V95.1Very high94.1Very high8 Ų868.2 Ų68.25%0.04835%0.348CS..THydrogen-bonded Turntrans-102.8-13.2179.6-64.90000113.9G36 P41 L42 Y87 V89 I101G36-V38 PolarHBondContact O-N 3.27Å; V38-P41 VanDerWaalsContact O-CD 3.32Å; V38-P41 WeakPolarHBondContact O-CD 3.48Å; V38-P41 WeakPolarHBondContact O-CG 3.5Å; V38-L42 WeakPolarHBondContact O-CB 3.23Å; V38-L42 PolarHBondContact O-N 3.37Å; V38-Y87 HydrophobicContact CG1-CD1 3.87Å; V38-Y87 HydrophobicContact CG1-CE1 3.9Å; V38-V89 HydrophobicContact CG1-CG1 4.14Å; V38-V89 HydrophobicContact CG2-CG1 3.92Å; V38-I101 HydrophobicContact CG1-CD1 4.13Å; V38-I101 HydrophobicContact CG1-CG1 4.34Å
39D94.7Very high94Very high95 Ų9566.3 Ų66.351%0.50833%0.331SS..Hα-helixtrans-67-51-167.9-66.9-14.3000112.2G36 G43G36-D39 WeakPolarHBondContact CA-OD2 3.45Å; G36-D39 PolarHBondContact O-N 3.12Å; G36-D39 VanDerWaalsContact O-N 3.14Å; D39-G43 PolarHBondContact O-N 3.44Å
40R95.1Very high93.9Very high202 Ų20268.8 Ų68.876%0.76235%0.346SS*.Hα-helixtrans-60.5-54.3176.1-177.2-179.9-180120.4-1.1112.9L42 G43 L44R40-L42 VanDerWaalsContact C-N 3.32Å; R40-L42 PolarHBondContact O-N 3.49Å; R40-G43 PolarHBondContact O-N 2.8Å; R40-L44 PolarHBondContact O-N 3.44Å
41P96.5Very high93.9Very high5 Ų570.6 Ų70.63%0.03235%0.345CS..Hα-helixtrans-65.6-36.1-179.124.4-33.6000112.1V27 V38 L44 I45 C115V27-P41 HydrophobicContact CB-CB 4.18Å; V27-P41 HydrophobicContact CG1-CB 4.02Å; V38-P41 VanDerWaalsContact O-CD 3.32Å; V38-P41 WeakPolarHBondContact O-CD 3.48Å; V38-P41 WeakPolarHBondContact O-CG 3.5Å; P41-L44 WeakPolarHBondContact O-CB 3.44Å; P41-L44 PolarHBondContact O-N 2.98Å; P41-I45 VanDerWaalsContact O-CG1 3.31Å; P41-I45 WeakPolarHBondContact O-CG1 3.44Å; P41-I45 PolarHBondContact O-N 3.07Å; P41-C115 HydrophobicContact CB-CB 3.68Å; P41-C115 HydrophobicContact CG-CB 3.85Å
42L96.4Very high93.6Very high0 Ų073.3 Ų73.30%035%0.35CS..Hα-helixtrans-68.9-38.2178.7-176.555000112.1V38 R40 L44 I45 W46 P91 Y94 V97 A117V38-L42 WeakPolarHBondContact O-CB 3.23Å; V38-L42 PolarHBondContact O-N 3.37Å; R40-L42 VanDerWaalsContact C-N 3.32Å; R40-L42 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 3.27Å; L42-I45 PolarHBondContact O-N 3.28Å; L42-W46 VanDerWaalsContact O-CB 3.23Å; L42-W46 WeakPolarHBondContact O-CB 3.44Å; L42-W46 PolarHBondContact O-N 3.15Å; L42-P91 HydrophobicContact CD2-CB 4.3Å; L42-P91 HydrophobicContact CD2-CG 3.36Å; L42-Y94 HydrophobicContact CB-CE2 4.36Å; L42-Y94 HydrophobicContact CD2-CD2 3.21Å; L42-Y94 HydrophobicContact CD2-CE2 3.66Å; L42-Y94 HydrophobicContact CD2-CG 3.81Å; L42-Y94 HydrophobicContact CG-CD2 3.71Å; L42-Y94 HydrophobicContact CG-CE2 3.75Å; L42-Y94 HydrophobicContact CG-CG 4.14Å; L42-V97 HydrophobicContact CD1-CG1 3.8Å; L42-V97 HydrophobicContact CD2-CG1 4.29Å; L42-A117 HydrophobicContact CD1-CB 3.89Å
43G95.9Very high93Very high14 Ų1479 Ų7914%0.14436%0.364CS..Hα-helixtrans-61.5-33.7172.600000113.4D39 R40 R47 Y94D39-G43 PolarHBondContact O-N 3.44Å; R40-G43 PolarHBondContact O-N 2.8Å; G43-R47 WeakPolarHBondContact O-CG 3.39Å; G43-R47 PolarHBondContact O-N 3.12Å; G43-R47 PolarHBondContact O-NE 3.21Å; G43-Y94 WeakPolarHBondContact CA-OH 3.35Å
44L96.5Very high92.4Very high67 Ų6779.2 Ų79.235%0.35137%0.371SS..Hα-helixtrans-69.3-48173-73.1165000111.9V27 R40 P41 L42 W46 R47 S48V27-L44 HydrophobicContact CG1-CD1 3.89Å; V27-L44 HydrophobicContact CG2-CB 4.17Å; R40-L44 PolarHBondContact O-N 3.44Å; P41-L44 WeakPolarHBondContact O-CB 3.44Å; P41-L44 PolarHBondContact O-N 2.98Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 3.27Å; L44-W46 VanDerWaalsContact C-N 3.31Å; L44-W46 PolarHBondContact O-N 3.18Å; L44-R47 PolarHBondContact O-N 2.95Å; L44-S48 WeakPolarHBondContact O-CB 3.35Å; L44-S48 PolarHBondContact O-N 3.27Å; L44-S48 VanDerWaalsContact O-N 3.12Å
45I96.6Very high92.3Very high5 Ų583.6 Ų83.63%0.02639%0.385CS..Hα-helixtrans-61.4-43178.3-66.1166.2000110.5L24 V27 P41 L42 S48 Y49 A117L24-I45 HydrophobicContact CB-CG2 3.41Å; L24-I45 VanDerWaalsContact CB-CG2 3.41Å; L24-I45 HydrophobicContact CD1-CG2 4.42Å; V27-I45 HydrophobicContact CB-CD1 4.28Å; V27-I45 HydrophobicContact CB-CG1 4.13Å; V27-I45 HydrophobicContact CG2-CD1 4.19Å; V27-I45 HydrophobicContact CG2-CG1 3.51Å; P41-I45 VanDerWaalsContact O-CG1 3.31Å; P41-I45 WeakPolarHBondContact O-CG1 3.44Å; P41-I45 PolarHBondContact O-N 3.07Å; L42-I45 PolarHBondContact O-N 3.28Å; I45-S48 PolarHBondContact O-N 3.12Å; I45-Y49 PolarHBondContact O-N 2.92Å; I45-A117 HydrophobicContact CD1-CB 4.1Å; I45-A117 HydrophobicContact CG2-CB 4.08Å
46W95.7Very high92.4Very high64 Ų6476 Ų7624%0.24235%0.354CS..Hα-helixtrans-64.8-46.1-178.8-172.2-104.4000112.5L24 L42 L44 S48 Y49 V50 Y94 V97 L119L24-W46 HydrophobicContact CD1-CE3 4.35Å; L24-W46 HydrophobicContact CD1-CZ3 4.48Å; L42-W46 VanDerWaalsContact O-CB 3.23Å; L42-W46 WeakPolarHBondContact O-CB 3.44Å; L42-W46 PolarHBondContact O-N 3.15Å; L44-W46 VanDerWaalsContact C-N 3.31Å; L44-W46 PolarHBondContact O-N 3.18Å; W46-S48 VanDerWaalsContact C-N 3.33Å; W46-S48 PolarHBondContact O-N 3.3Å; W46-Y49 HydrophobicContact CE3-CD1 4.25Å; W46-Y49 HydrophobicContact CH2-CD1 4.48Å; W46-Y49 HydrophobicContact CH2-CE1 4.41Å; W46-Y49 HydrophobicContact CZ3-CD1 4.15Å; W46-Y49 HydrophobicContact CZ3-CE1 4.35Å; W46-Y49 WeakPolarHBondContact O-CB 3.43Å; W46-Y49 PolarHBondContact O-N 3.22Å; W46-V50 WeakPolarHBondContact O-CG2 3.48Å; W46-V50 PolarHBondContact O-N 2.84Å; W46-Y94 HydrophobicContact CB-CD1 4.25Å; W46-Y94 HydrophobicContact CB-CE1 3.78Å; W46-Y94 AromaticContact CD1-CE1 3.73Å; W46-Y94 AromaticContact CD2-CD1 3.77Å; W46-Y94 HydrophobicContact CD2-CD1 3.77Å; W46-Y94 HydrophobicContact CD2-CE1 4.04Å; W46-Y94 HydrophobicContact CE3-CD1 4.12Å; W46-Y94 AromaticContact CG-CD1 3.81Å; W46-Y94 HydrophobicContact CG-CD1 3.81Å; W46-Y94 AromaticContact CG-CE1 3.56Å; W46-Y94 HydrophobicContact CG-CE1 3.56Å; W46-V97 HydrophobicContact CE3-CG2 4.05Å; W46-V97 HydrophobicContact CZ3-CG2 3.63Å; W46-L119 HydrophobicContact CZ3-CD1 4.24Å
47R95.1Very high92.5Very high149 Ų14977.9 Ų77.956%0.56236%0.356SS*.Hα-helixtrans-56.9-48.2174.1-77.4-175.3-72.7159.5-12.5111.6G43 L44 Y49 V50 E51G43-R47 WeakPolarHBondContact O-CG 3.39Å; G43-R47 PolarHBondContact O-N 3.12Å; G43-R47 PolarHBondContact O-NE 3.21Å; L44-R47 PolarHBondContact O-N 2.95Å; R47-Y49 VanDerWaalsContact C-N 3.25Å; R47-Y49 PolarHBondContact O-N 3.29Å; R47-V50 PolarHBondContact O-N 3.09Å; R47-V50 VanDerWaalsContact O-N 3.12Å; R47-E51 WeakPolarHBondContact O-CG 3.31Å; R47-E51 PolarHBondContact O-N 3.43Å
48S94.2Very high92.5Very high35 Ų3583.8 Ų83.825%0.24538%0.384CS..Hα-helixtrans-62-32.4178.5-168.60000113.3L44 I45 W46 R52L44-S48 WeakPolarHBondContact O-CB 3.35Å; L44-S48 PolarHBondContact O-N 3.27Å; L44-S48 VanDerWaalsContact O-N 3.12Å; I45-S48 PolarHBondContact O-N 3.12Å; W46-S48 VanDerWaalsContact C-N 3.33Å; W46-S48 PolarHBondContact O-N 3.3Å; S48-R52 WeakPolarHBondContact O-CB 3.41Å; S48-R52 WeakPolarHBondContact O-CG 3.32Å; S48-R52 PolarHBondContact O-N 3.4Å; S48-R52 VanDerWaalsContact O-N 3.15Å; S48-R52 PolarHBondContact O-NE 3.39Å; S48-R52 VanDerWaalsContact OG-CZ 3.25Å; S48-R52 PolarHBondContact OG-NE 3.16Å; S48-R52 PolarHBondContact OG-NH2 3.43Å
49Y93.5Very high92.6Very high39 Ų3984 Ų8415%0.15338%0.384CS..Hα-helixtrans-70.5-42.7173.8168.5-109.4000112.4I22 L24 I45 W46 R47 E51 R52 R53 L119I22-Y49 HydrophobicContact CG2-CE2 4.42Å; L24-Y49 HydrophobicContact CD2-CD1 4.05Å; L24-Y49 HydrophobicContact CD2-CD2 3.37Å; L24-Y49 HydrophobicContact CD2-CE1 4.39Å; L24-Y49 HydrophobicContact CD2-CE2 3.76Å; L24-Y49 HydrophobicContact CD2-CG 3.53Å; I45-Y49 PolarHBondContact O-N 2.92Å; W46-Y49 HydrophobicContact CE3-CD1 4.25Å; W46-Y49 HydrophobicContact CH2-CD1 4.48Å; W46-Y49 HydrophobicContact CH2-CE1 4.41Å; W46-Y49 HydrophobicContact CZ3-CD1 4.15Å; W46-Y49 HydrophobicContact CZ3-CE1 4.35Å; W46-Y49 WeakPolarHBondContact O-CB 3.43Å; W46-Y49 PolarHBondContact O-N 3.22Å; R47-Y49 VanDerWaalsContact C-N 3.25Å; R47-Y49 PolarHBondContact O-N 3.29Å; Y49-E51 VanDerWaalsContact C-N 3.29Å; Y49-E51 PolarHBondContact O-N 3.03Å; Y49-R52 CarbonylContact O-C 3.58Å; Y49-R52 PolarHBondContact O-N 3.5Å; Y49-R53 WeakPolarHBondContact O-CG 3.27Å; Y49-R53 PolarHBondContact O-N 3.32Å; Y49-L119 HydrophobicContact CE1-CD2 4.11Å; Y49-L119 WeakPolarHBondContact OH-CD2 3.45Å
50V92.5Very high92.7Very high61 Ų6186.7 Ų86.737%0.3739%0.387SS..Hα-helixtrans-62-38.6178.2173.30000111.2W46 R47 R53W46-V50 WeakPolarHBondContact O-CG2 3.48Å; W46-V50 PolarHBondContact O-N 2.84Å; R47-V50 PolarHBondContact O-N 3.09Å; R47-V50 VanDerWaalsContact O-N 3.12Å; V50-R53 WeakPolarHBondContact O-CG 3.45Å
51E92.2Very high92.8Very high152 Ų15277 Ų7771%0.7135%0.351SS*.Hα-helixtrans-70.2-38.6176-69.3164.1-169.200112.6R47 Y49R47-E51 WeakPolarHBondContact O-CG 3.31Å; R47-E51 PolarHBondContact O-N 3.43Å; Y49-E51 VanDerWaalsContact C-N 3.29Å; Y49-E51 PolarHBondContact O-N 3.03Å
52R87.7Confident92.8Very high141 Ų14177.5 Ų77.553%0.53235%0.354SS..THydrogen-bonded Turntrans-102.527.6-172.7-62.7-175.4-66.9156-1114.6S48 Y49 K54 N55S48-R52 WeakPolarHBondContact O-CB 3.41Å; S48-R52 WeakPolarHBondContact O-CG 3.32Å; S48-R52 PolarHBondContact O-N 3.4Å; S48-R52 VanDerWaalsContact O-N 3.15Å; S48-R52 PolarHBondContact O-NE 3.39Å; S48-R52 VanDerWaalsContact OG-CZ 3.25Å; S48-R52 PolarHBondContact OG-NE 3.16Å; S48-R52 PolarHBondContact OG-NH2 3.43Å; Y49-R52 CarbonylContact O-C 3.58Å; Y49-R52 PolarHBondContact O-N 3.5Å; R52-K54 PolarHBondContact O-N 2.93Å; R52-N55 PolarHBondContact O-N 3.06Å
53R80.4Confident92.8Very high153 Ų15377.6 Ų77.658%0.57735%0.354SS*.G310 helixtrans-51.5-27.8-173.6-77.9-178173.2179.52.3115.2Y49 V50 N55 C56Y49-R53 WeakPolarHBondContact O-CG 3.27Å; Y49-R53 PolarHBondContact O-N 3.32Å; V50-R53 WeakPolarHBondContact O-CG 3.45Å; R53-N55 VanDerWaalsContact C-N 3.3Å; R53-N55 PolarHBondContact O-N 2.79Å; R53-C56 PolarHBondContact O-SG 3.06Å
54K80.8Confident92.7Very high207 Ų20777.5 Ų77.590%0.935%0.351SS*.G310 helixtrans-71.7-19179.1-64-176.2179.8-179.50113.9R52R52-K54 PolarHBondContact O-N 2.93Å
55N86.9Confident92.4Very high130 Ų13078.1 Ų78.170%0.69535%0.349SS*.G310 helixtrans-115.845.4-171.1-6362.6000111.8R52 R53R52-N55 PolarHBondContact O-N 3.06Å; R53-N55 VanDerWaalsContact C-N 3.3Å; R53-N55 PolarHBondContact O-N 2.79Å
56C89.4Confident92.1Very high41 Ų4179.3 Ų79.328%0.27736%0.357SS..  trans-66.1132.8178.9-69.10000111.4I22 R53I22-C56 HydrophobicContact CD1-CB 4.48Å; I22-C56 HydrophobicContact CG2-CB 3.79Å; R53-C56 PolarHBondContact O-SG 3.06Å
57I93.5Very high92.1Very high67 Ų6776.3 Ų76.334%0.34435%0.346SS..EExtended strand (participates in β ladder)trans-96.4111175.7-60.8173.6000108.2I22 Y23 T72I22-I57 CarbonylContact C-O 3.58Å; I22-I57 WeakPolarHBondContact CA-O 3.33Å; Y23-I57 HydrophobicContact CD1-CD1 4.49Å; Y23-I57 PolarHBondContact N-O 3.39Å; I57-T72 HydrophobicContact CG2-CG2 3.45Å; I57-T72 VanDerWaalsContact CG2-CG2 3.45Å
58H94.9Very high92.2Very high124 Ų12469.3 Ų69.357%0.57432%0.319SS*.EExtended strand (participates in β ladder)trans-78.7145.1174.8-66.190.5000110.9
59M95.5Very high92.3Very high12 Ų1271.4 Ų71.46%0.05932%0.324CS..EExtended strand (participates in β ladder)trans-152.3134-169.3-166.2169.180.800111V21 Y23 F61 V70 T71 T72 V118V21-M59 HydrophobicContact CG2-CB 4.14Å; V21-M59 HydrophobicContact CG2-CE 3.79Å; V21-M59 PolarHBondContact N-O 2.99Å; V21-M59 PolarHBondContact O-N 2.95Å; Y23-M59 HydrophobicContact CD2-CE 4.15Å; Y23-M59 HydrophobicContact CD2-SD 4.27Å; Y23-M59 HydrophobicContact CG-CE 4.42Å; Y23-M59 HydrophobicContact CG-SD 4.07Å; M59-F61 HydrophobicContact CE-CD2 3.87Å; M59-V70 HydrophobicContact CE-CG1 3.36Å; M59-V70 HydrophobicContact CE-CG2 4.49Å; M59-V70 HydrophobicContact CG-CG1 3.29Å; M59-V70 HydrophobicContact SD-CB 4.44Å; M59-V70 HydrophobicContact SD-CG1 2.96Å; M59-V70 WeakPolarHBondContact SD-CG1 3.38Å; M59-T71 CarbonylContact C-O 3.56Å; M59-T71 WeakPolarHBondContact CA-O 3.41Å; M59-T71 WeakPolarHBondContact CG-O 3.17Å; M59-T72 WeakPolarHBondContact CG-OG1 3.44Å; M59-V118 HydrophobicContact CE-CG1 3.44Å; M59-V118 VanDerWaalsContact CE-CG1 3.44Å
60R96.9Very high92.4Very high152 Ų15269.7 Ų69.757%0.57432%0.318SS*.EExtended strand (participates in β ladder)trans-84.2117.5168.4179.9177.4169173-1.5108.4V62 V70 T71R60-V62 HydrophobicContact CG-CG2 4.19Å; R60-V70 CarbonylContact O-C 3.56Å; R60-V70 WeakPolarHBondContact O-CA 3.23Å; R60-T71 PolarHBondContact N-O 2.91Å; R60-T71 PolarHBondContact O-N 2.99Å
61F97.1Very high92.6Very high0 Ų069.1 Ų69.10%031%0.314CS..EExtended strand (participates in β ladder)trans-112.5119.6-174.5-171.6-89.8000110A18 Y19 V21 M59 V63 L68 V70 F98 W100 V118 F120 V129A18-F61 CarbonylContact C-O 3.56Å; A18-F61 WeakPolarHBondContact CA-O 3.1Å; Y19-F61 PolarHBondContact N-O 3.04Å; Y19-F61 PolarHBondContact O-N 2.81Å; V21-F61 HydrophobicContact CG1-CB 4.09Å; V21-F61 HydrophobicContact CG2-CB 3.62Å; V21-F61 HydrophobicContact CG2-CD2 4.4Å; V21-F61 HydrophobicContact CG2-CG 4.23Å; M59-F61 HydrophobicContact CE-CD2 3.87Å; F61-V63 HydrophobicContact CE1-CG2 4.06Å; F61-L68 HydrophobicContact CE1-CD2 3.75Å; F61-L68 HydrophobicContact CE2-CD1 4.11Å; F61-L68 HydrophobicContact CE2-CD2 4.36Å; F61-L68 HydrophobicContact CZ-CD1 3.7Å; F61-L68 HydrophobicContact CZ-CD2 3.47Å; F61-L68 VanDerWaalsContact CZ-CD2 3.47Å; F61-L68 HydrophobicContact CZ-CG 4.08Å; F61-V70 HydrophobicContact CD2-CG2 3.73Å; F61-V70 HydrophobicContact CE2-CG2 3.93Å; F61-F98 HydrophobicContact CE1-CD1 4.42Å; F61-F98 HydrophobicContact CE1-CE1 4.3Å; F61-F98 AromaticContact CZ-CD1 3.98Å; F61-F98 HydrophobicContact CZ-CD1 3.98Å; F61-F98 AromaticContact CZ-CE1 3.71Å; F61-F98 HydrophobicContact CZ-CE1 3.71Å; F61-W100 AromaticContact CE2-CH2 3.75Å; F61-W100 HydrophobicContact CE2-CH2 3.75Å; F61-W100 HydrophobicContact CE2-CZ2 4.48Å; F61-W100 AromaticContact CE2-CZ3 3.77Å; F61-W100 HydrophobicContact CE2-CZ3 3.77Å; F61-W100 HydrophobicContact CZ-CZ3 4.23Å; F61-V118 HydrophobicContact CD2-CG1 4.41Å; F61-V118 HydrophobicContact CE2-CG1 4.49Å; F61-F120 HydrophobicContact CD1-CZ 4.05Å; F61-F120 HydrophobicContact CE1-CZ 4.31Å; F61-V129 HydrophobicContact CD1-CG1 4.46Å; F61-V129 HydrophobicContact CE1-CG1 3.67Å; F61-V129 HydrophobicContact CZ-CG1 4.48Å
62V97.1Very high92.8Very high15 Ų1562.2 Ų62.29%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-124.1127.5-174.5-174.50000109.4D16 P17 A18 R60 T64 K69D16-V62 HydrophobicContact CB-CG1 3.65Å; P17-V62 WeakPolarHBondContact O-CA 3.41Å; A18-V62 HydrophobicContact CB-CG2 3.88Å; R60-V62 HydrophobicContact CG-CG2 4.19Å; V62-T64 HydrophobicContact CG1-CG2 4.08Å; V62-K69 WeakPolarHBondContact CA-O 3.46Å; V62-K69 HydrophobicContact CB-CB 4.29Å; V62-K69 WeakPolarHBondContact CB-O 3.42Å; V62-K69 PolarHBondContact N-O 3.5Å; V62-K69 PolarHBondContact O-N 2.99Å
63V96.2Very high92.9Very high1 Ų164.4 Ų64.41%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-91109.5174.2-176.10000108.2D16 P17 F61 L68 V129 K132 L133D16-V63 WeakPolarHBondContact CB-O 3.35Å; P17-V63 HydrophobicContact CG-CB 4.29Å; P17-V63 PolarHBondContact O-N 3.48Å; F61-V63 HydrophobicContact CE1-CG2 4.06Å; V63-L68 HydrophobicContact CB-CD2 4.4Å; V63-L68 HydrophobicContact CG1-CD2 4.43Å; V63-L68 HydrophobicContact CG2-CD2 3.99Å; V63-V129 HydrophobicContact CG2-CG1 3.87Å; V63-V129 HydrophobicContact CG2-CG2 4.38Å; V63-K132 HydrophobicContact CG1-CG 4.36Å; V63-L133 HydrophobicContact CG1-CB 4.2Å; V63-L133 HydrophobicContact CG1-CD1 4.18Å
64T93.9Very high93.3Very high13 Ų1365.9 Ų65.98%0.0831%0.31CS..EExtended strand (participates in β ladder)trans-99.8166.8-17867.50000111D16 V62 S66 G67 K69D16-T64 WeakPolarHBondContact OD2-CA 3.43Å; D16-T64 WeakPolarHBondContact OD2-CB 3.49Å; D16-T64 WeakPolarHBondContact OD2-CG2 3.45Å; V62-T64 HydrophobicContact CG1-CG2 4.08Å; T64-S66 PolarHBondContact O-N 3Å; T64-S66 PolarHBondContact OG1-N 3.29Å; T64-S66 PolarHBondContact OG1-OG 3.44Å; T64-S66 VanDerWaalsContact OG1-OG 3.06Å; T64-G67 PolarHBondContact N-O 3.41Å; T64-G67 PolarHBondContact O-N 2.92Å; T64-G67 VanDerWaalsContact O-O 3.12Å; T64-G67 PolarHBondContact OG1-N 2.97Å; T64-G67 VanDerWaalsContact OG1-N 3.09Å; T64-G67 PolarHBondContact OG1-O 2.88Å; T64-K69 HydrophobicContact CG2-CB 3.75Å
65R91.3Very high93.7Very high80 Ų8062.7 Ų62.730%0.30230%0.298SS..THydrogen-bonded Turntrans-62.8-26.3170.5-169176.2-179.2169.2-1.2112.8D143 N176R65-D143 IonicContact CZ-OD2 2.61Å; R65-D143 IonicContact NE-OD2 3.75Å; R65-D143 IonicContact NH2-OD2 3.39Å; R65-D143 PolarHBondContact NH2-OD2 3.34Å; R65-N176 HydrophobicContact CG-CB 4.31Å; R65-N176 PolarHBondContact NE-ND2 3.15Å
66S90.4Very high94Very high30 Ų3058.1 Ų58.121%0.2128%0.281CS..THydrogen-bonded Turntrans-91.2-7-179.759.50000114.7T64 S82 N176T64-S66 PolarHBondContact O-N 3Å; T64-S66 PolarHBondContact OG1-N 3.29Å; T64-S66 PolarHBondContact OG1-OG 3.44Å; T64-S66 VanDerWaalsContact OG1-OG 3.06Å; S66-S82 WeakPolarHBondContact O-CB 3.42Å; S66-S82 PolarHBondContact O-N 2.95Å; S66-S82 PolarHBondContact O-OG 2.98Å; S66-N176 WeakPolarHBondContact CA-O 3.33Å; S66-N176 WeakPolarHBondContact CB-O 3.33Å
67G94.6Very high94.3Very high0 Ų060.1 Ų60.10%029%0.292CS..EExtended strand (participates in β ladder)trans143.1-122.418000000112T64 Y80 S82T64-G67 PolarHBondContact N-O 3.41Å; T64-G67 PolarHBondContact O-N 2.92Å; T64-G67 VanDerWaalsContact O-O 3.12Å; T64-G67 PolarHBondContact OG1-N 2.97Å; T64-G67 VanDerWaalsContact OG1-N 3.09Å; T64-G67 PolarHBondContact OG1-O 2.88Å; G67-Y80 WeakPolarHBondContact CA-O 3.39Å; G67-S82 PolarHBondContact N-OG 3.16Å
68L97Very high94.3Very high2 Ų259 Ų591%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-123.3135.8178.4-58.7169.3000110.5F61 V63 V70 E79 Y80 I85 F98 W100 L133F61-L68 HydrophobicContact CE1-CD2 3.75Å; F61-L68 HydrophobicContact CE2-CD1 4.11Å; F61-L68 HydrophobicContact CE2-CD2 4.36Å; F61-L68 HydrophobicContact CZ-CD1 3.7Å; F61-L68 HydrophobicContact CZ-CD2 3.47Å; F61-L68 VanDerWaalsContact CZ-CD2 3.47Å; F61-L68 HydrophobicContact CZ-CG 4.08Å; V63-L68 HydrophobicContact CB-CD2 4.4Å; V63-L68 HydrophobicContact CG1-CD2 4.43Å; V63-L68 HydrophobicContact CG2-CD2 3.99Å; L68-V70 HydrophobicContact CB-CG2 4.44Å; L68-E79 WeakPolarHBondContact O-CA 3.21Å; L68-Y80 HydrophobicContact CB-CD2 4.27Å; L68-Y80 PolarHBondContact N-O 3.37Å; L68-Y80 PolarHBondContact O-N 2.87Å; L68-I85 HydrophobicContact CD1-CD1 4.29Å; L68-I85 HydrophobicContact CG-CD1 4.25Å; L68-F98 HydrophobicContact CD1-CE1 4.46Å; L68-W100 HydrophobicContact CD1-CD2 3.92Å; L68-W100 HydrophobicContact CD1-CE3 4.32Å; L68-W100 HydrophobicContact CD1-CG 4.15Å; L68-W100 HydrophobicContact CD1-CZ2 4.49Å; L68-L133 HydrophobicContact CD1-CD2 3.89Å; L68-L133 HydrophobicContact CD2-CD1 3.78Å; L68-L133 HydrophobicContact CD2-CD2 3.93Å; L68-L133 HydrophobicContact CD2-CG 4.35Å; L68-L133 HydrophobicContact CG-CD1 3.99Å; L68-L133 HydrophobicContact CG-CD2 4Å
69K96.2Very high94.3Very high79 Ų7956.1 Ų56.134%0.34328%0.275SS..EExtended strand (participates in β ladder)trans-117.1128.3170.7-177.2174.2-172.7170.20109.2V62 T64 V77 E79V62-K69 WeakPolarHBondContact CA-O 3.46Å; V62-K69 HydrophobicContact CB-CB 4.29Å; V62-K69 WeakPolarHBondContact CB-O 3.42Å; V62-K69 PolarHBondContact N-O 3.5Å; V62-K69 PolarHBondContact O-N 2.99Å; T64-K69 HydrophobicContact CG2-CB 3.75Å; K69-V77 HydrophobicContact CD-CG1 4.35Å; K69-V77 VanDerWaalsContact CE-CG1 3.41Å; K69-V77 HydrophobicContact CG-CG1 4.03Å; K69-E79 HydrophobicContact CG-CG 4.25Å; K69-E79 IonicContact NZ-OE1 3.17Å
70V96.7Very high94.3Very high3 Ų356.4 Ų56.42%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-132.9128-166.7177.80000108.7M59 R60 F61 L68 V77 T78 Y80M59-V70 HydrophobicContact CE-CG1 3.36Å; M59-V70 HydrophobicContact CE-CG2 4.49Å; M59-V70 HydrophobicContact CG-CG1 3.29Å; M59-V70 HydrophobicContact SD-CB 4.44Å; M59-V70 HydrophobicContact SD-CG1 2.96Å; M59-V70 WeakPolarHBondContact SD-CG1 3.38Å; R60-V70 CarbonylContact O-C 3.56Å; R60-V70 WeakPolarHBondContact O-CA 3.23Å; F61-V70 HydrophobicContact CD2-CG2 3.73Å; F61-V70 HydrophobicContact CE2-CG2 3.93Å; L68-V70 HydrophobicContact CB-CG2 4.44Å; V70-V77 CarbonylContact O-C 3.43Å; V70-V77 WeakPolarHBondContact O-CA 3.47Å; V70-T78 PolarHBondContact N-O 2.95Å; V70-T78 PolarHBondContact O-N 3.49Å; V70-Y80 HydrophobicContact CB-CE2 4.33Å; V70-Y80 HydrophobicContact CG2-CD2 4.01Å; V70-Y80 HydrophobicContact CG2-CE2 3.93Å
71T96.8Very high94.2Very high49 Ų4950.9 Ų50.930%0.30126%0.255SS..EExtended strand (participates in β ladder)trans-123.6125-179.2-50.70000110.4M59 R60 G76 V77M59-T71 CarbonylContact C-O 3.56Å; M59-T71 WeakPolarHBondContact CA-O 3.41Å; M59-T71 WeakPolarHBondContact CG-O 3.17Å; R60-T71 PolarHBondContact N-O 2.91Å; R60-T71 PolarHBondContact O-N 2.99Å; T71-G76 WeakPolarHBondContact CA-O 3.24Å; T71-V77 HydrophobicContact CG2-CG2 4.1Å
72T94.6Very high94.1Very high8 Ų851 Ų515%0.04926%0.256CS..EExtended strand (participates in β ladder)trans-123.3145.1175.7-57.50000109.1I57 M59 K74 Q75 G76I57-T72 HydrophobicContact CG2-CG2 3.45Å; I57-T72 VanDerWaalsContact CG2-CG2 3.45Å; M59-T72 WeakPolarHBondContact CG-OG1 3.44Å; T72-K74 PolarHBondContact O-N 3.34Å; T72-Q75 PolarHBondContact O-N 2.88Å; T72-G76 PolarHBondContact N-O 3.21Å; T72-G76 WeakPolarHBondContact O-CA 3.39Å; T72-G76 PolarHBondContact O-N 2.74Å
73E91.1Very high93.9Very high186 Ų18652.6 Ų52.687%0.86926%0.262SS*.THydrogen-bonded Turntrans-55.5-39.2178.7-65.1175.7173.500112.9
74K89.3Confident93.8Very high184 Ų18455.7 Ų55.780%0.827%0.274SS*.THydrogen-bonded Turntrans-84.3-30.8-175.2-61.4-174.3178.3-176.40114.9T72T72-K74 PolarHBondContact O-N 3.34Å
75Q88.8Confident94Very high141 Ų14155.8 Ų55.866%0.65927%0.274SS*.THydrogen-bonded Turntrans-110.2-8.4-172.2-69.3-176.5-23.300113T72T72-Q75 PolarHBondContact O-N 2.88Å
76G93.6Very high94.2Very high33 Ų3354.5 Ų54.534%0.3428%0.275SS..EExtended strand (participates in β ladder)trans69.9-142.9-172.900000111.8T71 T72T71-G76 WeakPolarHBondContact CA-O 3.24Å; T72-G76 PolarHBondContact N-O 3.21Å; T72-G76 WeakPolarHBondContact O-CA 3.39Å; T72-G76 PolarHBondContact O-N 2.74Å
77V94Very high94.5Very high83 Ų8356.6 Ų56.650%0.50328%0.279SS..EExtended strand (participates in β ladder)trans-92.7123.5-175.5-179.80000110.3K69 V70 T71 E79K69-V77 HydrophobicContact CD-CG1 4.35Å; K69-V77 VanDerWaalsContact CE-CG1 3.41Å; K69-V77 HydrophobicContact CG-CG1 4.03Å; V70-V77 CarbonylContact O-C 3.43Å; V70-V77 WeakPolarHBondContact O-CA 3.47Å; T71-V77 HydrophobicContact CG2-CG2 4.1Å; V77-E79 HydrophobicContact CG1-CG 4.34Å
78T94.3Very high94.5Very high43 Ų4357.3 Ų57.326%0.26428%0.283SS..EExtended strand (participates in β ladder)trans-116128.8172.7-580000109.7V70 Y80V70-T78 PolarHBondContact N-O 2.95Å; V70-T78 PolarHBondContact O-N 3.49Å; T78-Y80 HydrophobicContact CG2-CD2 4.47Å; T78-Y80 HydrophobicContact CG2-CE2 3.88Å
79E94.5Very high94.5Very high64 Ų6458.8 Ų58.830%0.29929%0.292SS..EExtended strand (participates in β ladder)trans-111.2124.8178.8-66-177.2171.100110.2L68 K69 V77 W81 R183L68-E79 WeakPolarHBondContact O-CA 3.21Å; K69-E79 HydrophobicContact CG-CG 4.25Å; K69-E79 IonicContact NZ-OE1 3.17Å; V77-E79 HydrophobicContact CG1-CG 4.34Å; E79-W81 WeakPolarHBondContact OE2-CZ2 3.38Å; E79-R183 IonicContact OE2-NH1 3.98Å; E79-R183 PolarHBondContact OE2-NH1 2.83Å; E79-R183 VanDerWaalsContact OE2-NH1 3.08Å
80Y95.6Very high94.5Very high19 Ų1956 Ų568%0.07528%0.284CS..EExtended strand (participates in β ladder)trans-102.1112.3171-60.5-89.3000108.8G67 L68 V70 T78 W100 Y102 H116G67-Y80 WeakPolarHBondContact CA-O 3.39Å; L68-Y80 HydrophobicContact CB-CD2 4.27Å; L68-Y80 PolarHBondContact N-O 3.37Å; L68-Y80 PolarHBondContact O-N 2.87Å; V70-Y80 HydrophobicContact CB-CE2 4.33Å; V70-Y80 HydrophobicContact CG2-CD2 4.01Å; V70-Y80 HydrophobicContact CG2-CE2 3.93Å; T78-Y80 HydrophobicContact CG2-CD2 4.47Å; T78-Y80 HydrophobicContact CG2-CE2 3.88Å; Y80-W100 AromaticContact CD1-NE1 3.63Å; Y80-W100 HydrophobicContact CD2-CZ2 4.15Å; Y80-W100 HydrophobicContact CE1-CZ2 4.36Å; Y80-W100 AromaticContact CE1-NE1 3.77Å; Y80-W100 AromaticContact CE2-CZ2 3.74Å; Y80-W100 HydrophobicContact CE2-CZ2 3.74Å; Y80-W100 AromaticContact CG-NE1 3.85Å; Y80-W100 AromaticContact CZ-CZ2 3.85Å; Y80-Y102 AromaticContact CD1-CD1 3.84Å; Y80-Y102 HydrophobicContact CD1-CD1 3.84Å; Y80-Y102 AromaticContact CD1-CD2 3.57Å; Y80-Y102 HydrophobicContact CD1-CD2 3.57Å; Y80-Y102 AromaticContact CD1-CE1 3.97Å; Y80-Y102 HydrophobicContact CD1-CE1 3.97Å; Y80-Y102 AromaticContact CD1-CE2 3.73Å; Y80-Y102 HydrophobicContact CD1-CE2 3.73Å; Y80-Y102 AromaticContact CD1-CG 3.6Å; Y80-Y102 HydrophobicContact CD1-CG 3.6Å; Y80-Y102 AromaticContact CD1-CZ 3.9Å; Y80-Y102 HydrophobicContact CE1-CD1 4.25Å; Y80-Y102 HydrophobicContact CE1-CG 4.21Å; Y80-Y102 HydrophobicContact CG-CD2 4.24Å; Y80-Y102 HydrophobicContact CG-CE2 4.17Å; Y80-H116 AromaticContact CE1-CE1 3.78Å; Y80-H116 AromaticContact CE1-NE2 3.77Å; Y80-H116 AromaticContact CZ-CE1 3.99Å; Y80-H116 PolarHBondContact OH-CE1 3.45Å; Y80-H116 PolarHBondContact OH-ND1 2.84Å
81W94.4Very high94.4Very high35 Ų3556.8 Ų56.813%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-81.5145.4-175.4-65.587.6000112.9E79 H83 R84 I85 Y102 P179E79-W81 WeakPolarHBondContact OE2-CZ2 3.38Å; W81-H83 VanDerWaalsContact C-N 3.35Å; W81-H83 VanDerWaalsContact CB-CE1 3.45Å; W81-H83 WeakPolarHBondContact CB-CE1 3.34Å; W81-H83 WeakPolarHBondContact CB-ND1 3.3Å; W81-H83 PolarHBondContact O-N 2.81Å; W81-R84 PolarHBondContact O-N 3.13Å; W81-I85 PolarHBondContact O-N 2.82Å; W81-Y102 PolarHBondContact N-OH 2.78Å; W81-P179 HydrophobicContact CD2-CB 3.97Å; W81-P179 HydrophobicContact CD2-CG 3.54Å; W81-P179 HydrophobicContact CE3-CB 4.08Å; W81-P179 HydrophobicContact CE3-CG 3.93Å; W81-P179 HydrophobicContact CG-CG 3.84Å; W81-P179 HydrophobicContact CH2-CB 3.82Å; W81-P179 HydrophobicContact CH2-CG 4.47Å; W81-P179 HydrophobicContact CZ2-CB 3.71Å; W81-P179 HydrophobicContact CZ2-CG 4.13Å; W81-P179 HydrophobicContact CZ3-CB 4Å; W81-P179 HydrophobicContact CZ3-CG 4.37Å
82S94.9Very high94.2Very high3 Ų361.3 Ų61.32%0.02132%0.317CS..G310 helixtrans-52.8-46.3-177.9-66.90000113.5S66 G67 R84 I85 L137S66-S82 WeakPolarHBondContact O-CB 3.42Å; S66-S82 PolarHBondContact O-N 2.95Å; S66-S82 PolarHBondContact O-OG 2.98Å; G67-S82 PolarHBondContact N-OG 3.16Å; S82-R84 PolarHBondContact O-N 2.82Å; S82-I85 PolarHBondContact O-N 3.39Å; S82-I85 VanDerWaalsContact O-N 3.17Å; S82-L137 WeakPolarHBondContact OG-CD2 3.47Å
83H93.4Very high94Very high49 Ų4964.1 Ų64.123%0.22735%0.348CS..G310 helixtrans-64.3-11.8179.773.2-70000115.3W81 F177 R178 P179W81-H83 VanDerWaalsContact C-N 3.35Å; W81-H83 VanDerWaalsContact CB-CE1 3.45Å; W81-H83 WeakPolarHBondContact CB-CE1 3.34Å; W81-H83 WeakPolarHBondContact CB-ND1 3.3Å; W81-H83 PolarHBondContact O-N 2.81Å; H83-F177 HydrophobicContact CB-CD1 3.95Å; H83-F177 HydrophobicContact CB-CD2 4.44Å; H83-F177 HydrophobicContact CB-CE1 3.61Å; H83-F177 HydrophobicContact CB-CE2 4.13Å; H83-F177 HydrophobicContact CB-CG 4.34Å; H83-F177 HydrophobicContact CB-CZ 3.7Å; H83-F177 VanDerWaalsContact CB-O 3.28Å; H83-F177 WeakPolarHBondContact CB-O 3.1Å; H83-F177 PolarHBondContact N-O 3Å; H83-F177 VanDerWaalsContact N-O 3.15Å; H83-F177 PolarHBondContact ND1-O 2.82Å; H83-R178 HydrophobicContact CB-CG 4.19Å; H83-P179 WeakPolarHBondContact CE1-CD 3.49Å
84R95.2Very high94.1Very high66 Ų6658.1 Ų58.125%0.24932%0.317CS..G310 helixtrans-107.8-11.6178.2-76.3174.2-179.3-137.41.4113W81 S82 T86 Y102 K103 D105W81-R84 PolarHBondContact O-N 3.13Å; S82-R84 PolarHBondContact O-N 2.82Å; R84-T86 PolarHBondContact O-N 3.18Å; R84-Y102 HydrophobicContact CB-CD2 3.77Å; R84-Y102 HydrophobicContact CB-CE1 4.08Å; R84-Y102 HydrophobicContact CB-CE2 3.22Å; R84-Y102 HydrophobicContact CB-CG 4.41Å; R84-Y102 VanDerWaalsContact CB-CZ 3.43Å; R84-Y102 VanDerWaalsContact CD-OH 3.26Å; R84-Y102 WeakPolarHBondContact CD-OH 3.47Å; R84-Y102 HydrophobicContact CG-CE2 4.39Å; R84-Y102 CarbonylContact O-C 3.58Å; R84-Y102 WeakPolarHBondContact O-CA 3.4Å; R84-K103 HydrophobicContact CB-CB 4.37Å; R84-K103 HydrophobicContact CG-CB 4.48Å; R84-K103 PolarHBondContact O-N 2.9Å; R84-D105 IonicContact CZ-OD1 3.37Å; R84-D105 IonicContact CZ-OD2 3.8Å; R84-D105 VanDerWaalsContact CZ-OD2 3.23Å; R84-D105 IonicContact NH1-OD1 2.87Å; R84-D105 IonicContact NH1-OD2 3.44Å; R84-D105 PolarHBondContact NH1-OD2 3.09Å; R84-D105 IonicContact NH2-OD1 3.08Å; R84-D105 IonicContact NH2-OD2 2.68Å; R84-D105 PolarHBondContact NH2-OD2 3.37Å
85I96.7Very high94.3Very high15 Ų1556.3 Ų56.38%0.07731%0.312CS..EExtended strand (participates in β ladder)trans-82.1113.6173.5-62.7165.8000107.6L68 W81 S82 W100 I101 Y102 L137L68-I85 HydrophobicContact CD1-CD1 4.29Å; L68-I85 HydrophobicContact CG-CD1 4.25Å; W81-I85 PolarHBondContact O-N 2.82Å; S82-I85 PolarHBondContact O-N 3.39Å; S82-I85 VanDerWaalsContact O-N 3.17Å; I85-W100 HydrophobicContact CG2-CB 4.48Å; I85-I101 WeakPolarHBondContact CA-O 3.21Å; I85-Y102 HydrophobicContact CG1-CD2 3.72Å; I85-Y102 HydrophobicContact CG1-CE2 4.09Å; I85-L137 HydrophobicContact CB-CD1 4.4Å; I85-L137 HydrophobicContact CB-CD2 4.35Å; I85-L137 HydrophobicContact CD1-CD2 4.26Å; I85-L137 HydrophobicContact CG2-CD1 3.9Å
86T95.7Very high94.6Very high53 Ų5355 Ų5533%0.32530%0.301SS..EExtended strand (participates in β ladder)trans-93.8-27.2-176.960.90000112.7A32 R84 I101 L113A32-T86 HydrophobicContact CB-CG2 4.35Å; A32-T86 VanDerWaalsContact O-CB 3.3Å; A32-T86 WeakPolarHBondContact O-CB 3.34Å; A32-T86 PolarHBondContact O-OG1 2.99Å; R84-T86 PolarHBondContact O-N 3.18Å; T86-I101 PolarHBondContact N-O 3.43Å; T86-I101 WeakPolarHBondContact OG1-CB 3.46Å; T86-I101 WeakPolarHBondContact OG1-CG2 3.48Å; T86-I101 PolarHBondContact OG1-O 3.39Å; T86-L113 HydrophobicContact CG2-CD2 4.03Å
87Y96.2Very high94.8Very high74 Ų7453.5 Ų53.529%0.2929%0.285SS..EExtended strand (participates in β ladder)trans-157147.5-179-171.1-115000110.7A32 R33 C37 V38 V89 W100 I101A32-Y87 WeakPolarHBondContact O-CB 3Å; R33-Y87 HydrophobicContact CB-CD2 4.32Å; C37-Y87 WeakPolarHBondContact SG-CD1 3.41Å; C37-Y87 VanDerWaalsContact SG-CE1 3.51Å; V38-Y87 HydrophobicContact CG1-CD1 3.87Å; V38-Y87 HydrophobicContact CG1-CE1 3.9Å; Y87-V89 HydrophobicContact CD1-CG1 4.28Å; Y87-V89 HydrophobicContact CE1-CB 3.87Å; Y87-V89 HydrophobicContact CE1-CG1 3.53Å; Y87-W100 CarbonylContact O-C 3.6Å; Y87-W100 WeakPolarHBondContact O-CA 3.3Å; Y87-W100 WeakPolarHBondContact O-CB 3.46Å; Y87-I101 HydrophobicContact CD1-CD1 4.24Å; Y87-I101 PolarHBondContact O-N 3.49Å
88C96.5Very high94.9Very high14 Ų1449.5 Ų49.510%0.09526%0.261CS..EExtended strand (participates in β ladder)trans-147.1138.1173.161.70000110.5F98 C99 W100 L133C88-F98 HydrophobicContact CB-CE2 4.06Å; C88-F98 HydrophobicContact CB-CZ 3.94Å; C88-C99 WeakPolarHBondContact CA-O 3.21Å; C88-W100 HydrophobicContact CB-CB 4.05Å; C88-L133 HydrophobicContact CB-CD2 3.82Å
89V96.4Very high95.1Very high34 Ų3447.5 Ų47.521%0.20625%0.248CC..EExtended strand (participates in β ladder)trans-157152.2-177.766.80000111.5V38 Y87 P91 F98 C99V38-V89 HydrophobicContact CG1-CG1 4.14Å; V38-V89 HydrophobicContact CG2-CG1 3.92Å; Y87-V89 HydrophobicContact CD1-CG1 4.28Å; Y87-V89 HydrophobicContact CE1-CB 3.87Å; Y87-V89 HydrophobicContact CE1-CG1 3.53Å; V89-P91 WeakPolarHBondContact O-CD 3.39Å; V89-F98 WeakPolarHBondContact O-CD2 3.5Å; V89-C99 VanDerWaalsContact CG1-SG 3.57Å; V89-C99 PolarHBondContact N-O 2.83Å; V89-C99 PolarHBondContact O-N 2.98Å
90A96.4Very high95.2Very high20 Ų2044.4 Ų44.417%0.16523%0.234CC..  trans-106.793.7165.500000108.2A126 R127 A130A90-A126 HydrophobicContact CB-CB 4.31Å; A90-R127 HydrophobicContact CB-CG 4.08Å; A90-A130 HydrophobicContact CB-CB 3.94Å
91P94.5Very high95.3Very high20 Ų2043.5 Ų43.513%0.1323%0.231CC..  trans-67141.5-171.923.7-29.2000111.7L42 V89 G93 Y94L42-P91 HydrophobicContact CD2-CB 4.3Å; L42-P91 HydrophobicContact CD2-CG 3.36Å; V89-P91 WeakPolarHBondContact O-CD 3.39Å; P91-G93 VanDerWaalsContact C-N 3.33Å; P91-G93 PolarHBondContact O-N 2.85Å; P91-Y94 HydrophobicContact CG-CD2 4.35Å; P91-Y94 PolarHBondContact O-N 2.99Å
92T91.5Very high95.5Very high144 Ų14442.5 Ų42.588%0.88323%0.227SC*.THydrogen-bonded Turntrans-69-31.5-179.650.20000112.6Y94T92-Y94 VanDerWaalsContact C-N 3.3Å; T92-Y94 PolarHBondContact O-N 3.42Å
93G91.3Very high95.5Very high67 Ų6746.8 Ų46.869%0.69125%0.245SC*.THydrogen-bonded Turntrans-67.8-23178.300000114.7P91P91-G93 VanDerWaalsContact C-N 3.33Å; P91-G93 PolarHBondContact O-N 2.85Å
94Y92.8Very high95.5Very high60 Ų6046.7 Ų46.724%0.23524%0.244CC..SBendtrans-122.990.2-179.6-61.1-86.6000110.8L42 G43 W46 P91 T92 R96 V97L42-Y94 HydrophobicContact CB-CE2 4.36Å; L42-Y94 HydrophobicContact CD2-CD2 3.21Å; L42-Y94 HydrophobicContact CD2-CE2 3.66Å; L42-Y94 HydrophobicContact CD2-CG 3.81Å; L42-Y94 HydrophobicContact CG-CD2 3.71Å; L42-Y94 HydrophobicContact CG-CE2 3.75Å; L42-Y94 HydrophobicContact CG-CG 4.14Å; G43-Y94 WeakPolarHBondContact CA-OH 3.35Å; W46-Y94 HydrophobicContact CB-CD1 4.25Å; W46-Y94 HydrophobicContact CB-CE1 3.78Å; W46-Y94 AromaticContact CD1-CE1 3.73Å; W46-Y94 AromaticContact CD2-CD1 3.77Å; W46-Y94 HydrophobicContact CD2-CD1 3.77Å; W46-Y94 HydrophobicContact CD2-CE1 4.04Å; W46-Y94 HydrophobicContact CE3-CD1 4.12Å; W46-Y94 AromaticContact CG-CD1 3.81Å; W46-Y94 HydrophobicContact CG-CD1 3.81Å; W46-Y94 AromaticContact CG-CE1 3.56Å; W46-Y94 HydrophobicContact CG-CE1 3.56Å; P91-Y94 HydrophobicContact CG-CD2 4.35Å; P91-Y94 PolarHBondContact O-N 2.99Å; T92-Y94 VanDerWaalsContact C-N 3.3Å; T92-Y94 PolarHBondContact O-N 3.42Å; Y94-R96 PolarHBondContact O-N 3.45Å; Y94-V97 WeakPolarHBondContact O-CB 3.41Å; Y94-V97 PolarHBondContact O-N 3.35Å; Y94-V97 VanDerWaalsContact O-N 3.12Å
95Q92.8Very high95.3Very high145 Ų14547.6 Ų47.668%0.67825%0.254SS*.THydrogen-bonded Turntrans-59.7136.6-177.9-61.2-169.713.600111.9V97Q95-V97 PolarHBondContact O-N 2.95Å
96R96.1Very high94.7Very high114 Ų11447.8 Ų47.843%0.4326%0.26SS..THydrogen-bonded Turntrans71.6-0.3-178.2-44.6171.9-73-171.5-2.3114.9Y94 L119 F120Y94-R96 PolarHBondContact O-N 3.45Å; R96-L119 HydrophobicContact CB-CD1 3.82Å; R96-F120 VanDerWaalsContact CB-O 3.32Å; R96-F120 WeakPolarHBondContact CB-O 3.46Å; R96-F120 PolarHBondContact O-N 2.9Å
97V97.3Very high94.2Very high1 Ų156.3 Ų56.31%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-87.2139175.2-179.60000110.1L24 L42 W46 Y94 Q95 A117 V118 L119L24-V97 HydrophobicContact CD1-CG1 4.3Å; L24-V97 HydrophobicContact CD1-CG2 4.15Å; L42-V97 HydrophobicContact CD1-CG1 3.8Å; L42-V97 HydrophobicContact CD2-CG1 4.29Å; W46-V97 HydrophobicContact CE3-CG2 4.05Å; W46-V97 HydrophobicContact CZ3-CG2 3.63Å; Y94-V97 WeakPolarHBondContact O-CB 3.41Å; Y94-V97 PolarHBondContact O-N 3.35Å; Y94-V97 VanDerWaalsContact O-N 3.12Å; Q95-V97 PolarHBondContact O-N 2.95Å; V97-A117 HydrophobicContact CG1-CB 4.17Å; V97-V118 WeakPolarHBondContact CA-O 3.37Å; V97-L119 HydrophobicContact CG2-CD1 3.88Å
98F97.6Very high93.7Very high0 Ų064.8 Ų64.80%032%0.318CS..EExtended strand (participates in β ladder)trans-123.1136.4165.6171.1-109.7000107.8F61 L68 C88 V89 W100 A117 V118 F120 A126 V129 A130 L133F61-F98 HydrophobicContact CE1-CD1 4.42Å; F61-F98 HydrophobicContact CE1-CE1 4.3Å; F61-F98 AromaticContact CZ-CD1 3.98Å; F61-F98 HydrophobicContact CZ-CD1 3.98Å; F61-F98 AromaticContact CZ-CE1 3.71Å; F61-F98 HydrophobicContact CZ-CE1 3.71Å; L68-F98 HydrophobicContact CD1-CE1 4.46Å; C88-F98 HydrophobicContact CB-CE2 4.06Å; C88-F98 HydrophobicContact CB-CZ 3.94Å; V89-F98 WeakPolarHBondContact O-CD2 3.5Å; F98-W100 AromaticContact CD1-CE3 3.82Å; F98-W100 HydrophobicContact CD1-CE3 3.82Å; F98-W100 HydrophobicContact CD1-CZ3 4.06Å; F98-W100 HydrophobicContact CE1-CD2 4.35Å; F98-W100 AromaticContact CE1-CE3 3.5Å; F98-W100 HydrophobicContact CE1-CE3 3.5Å; F98-W100 HydrophobicContact CE1-CZ3 4.08Å; F98-W100 HydrophobicContact CZ-CB 4.49Å; F98-W100 HydrophobicContact CZ-CE3 4.42Å; F98-A117 WeakPolarHBondContact O-CA 3.43Å; F98-V118 HydrophobicContact CB-CG2 3.94Å; F98-V118 HydrophobicContact CD1-CG2 3.87Å; F98-V118 HydrophobicContact CG-CG2 4.42Å; F98-V118 PolarHBondContact N-O 3Å; F98-V118 PolarHBondContact O-N 2.9Å; F98-F120 HydrophobicContact CB-CD2 4Å; F98-F120 HydrophobicContact CB-CE2 3.55Å; F98-F120 HydrophobicContact CD1-CE2 4.31Å; F98-F120 HydrophobicContact CG-CE2 4.2Å; F98-A126 HydrophobicContact CB-CB 4.21Å; F98-V129 HydrophobicContact CD1-CG1 4.07Å; F98-V129 HydrophobicContact CD2-CG1 4.41Å; F98-V129 HydrophobicContact CE1-CG1 4.07Å; F98-V129 HydrophobicContact CE2-CG1 4.41Å; F98-V129 HydrophobicContact CG-CG1 4.25Å; F98-V129 HydrophobicContact CZ-CG1 4.23Å; F98-A130 HydrophobicContact CD2-CB 3.79Å; F98-A130 HydrophobicContact CE2-CB 3.66Å; F98-L133 HydrophobicContact CE1-CD2 4.45Å; F98-L133 HydrophobicContact CZ-CD2 3.74Å
99C97.3Very high93.1Very high0 Ų071.6 Ų71.60%035%0.35CS..EExtended strand (participates in β ladder)trans-132.7154.717762.40000112C88 V89 H116 A117C88-C99 WeakPolarHBondContact CA-O 3.21Å; V89-C99 VanDerWaalsContact CG1-SG 3.57Å; V89-C99 PolarHBondContact N-O 2.83Å; V89-C99 PolarHBondContact O-N 2.98Å; C99-H116 CarbonylContact C-O 3.51Å; C99-H116 WeakPolarHBondContact CA-O 3.48Å; C99-H116 WeakPolarHBondContact CB-O 3.35Å; C99-A117 HydrophobicContact CB-CB 4.13Å
100W97.7Very high92.8Very high0 Ų077.3 Ų77.30%037%0.372CS..EExtended strand (participates in β ladder)trans-143.2150.717468.297.6000110.4F61 L68 Y80 I85 Y87 C88 F98 C115 H116 V118F61-W100 AromaticContact CE2-CH2 3.75Å; F61-W100 HydrophobicContact CE2-CH2 3.75Å; F61-W100 HydrophobicContact CE2-CZ2 4.48Å; F61-W100 AromaticContact CE2-CZ3 3.77Å; F61-W100 HydrophobicContact CE2-CZ3 3.77Å; F61-W100 HydrophobicContact CZ-CZ3 4.23Å; L68-W100 HydrophobicContact CD1-CD2 3.92Å; L68-W100 HydrophobicContact CD1-CE3 4.32Å; L68-W100 HydrophobicContact CD1-CG 4.15Å; L68-W100 HydrophobicContact CD1-CZ2 4.49Å; Y80-W100 AromaticContact CD1-NE1 3.63Å; Y80-W100 HydrophobicContact CD2-CZ2 4.15Å; Y80-W100 HydrophobicContact CE1-CZ2 4.36Å; Y80-W100 AromaticContact CE1-NE1 3.77Å; Y80-W100 AromaticContact CE2-CZ2 3.74Å; Y80-W100 HydrophobicContact CE2-CZ2 3.74Å; Y80-W100 AromaticContact CG-NE1 3.85Å; Y80-W100 AromaticContact CZ-CZ2 3.85Å; I85-W100 HydrophobicContact CG2-CB 4.48Å; Y87-W100 CarbonylContact O-C 3.6Å; Y87-W100 WeakPolarHBondContact O-CA 3.3Å; Y87-W100 WeakPolarHBondContact O-CB 3.46Å; C88-W100 HydrophobicContact CB-CB 4.05Å; F98-W100 AromaticContact CD1-CE3 3.82Å; F98-W100 HydrophobicContact CD1-CE3 3.82Å; F98-W100 HydrophobicContact CD1-CZ3 4.06Å; F98-W100 HydrophobicContact CE1-CD2 4.35Å; F98-W100 AromaticContact CE1-CE3 3.5Å; F98-W100 HydrophobicContact CE1-CE3 3.5Å; F98-W100 HydrophobicContact CE1-CZ3 4.08Å; F98-W100 HydrophobicContact CZ-CB 4.49Å; F98-W100 HydrophobicContact CZ-CE3 4.42Å; W100-C115 WeakPolarHBondContact O-CA 2.96Å; W100-H116 HydrophobicContact CD2-CB 3.74Å; W100-H116 AromaticContact CE2-CG 3.81Å; W100-H116 HydrophobicContact CE3-CB 4.1Å; W100-H116 HydrophobicContact CG-CB 4.37Å; W100-H116 HydrophobicContact CH2-CB 3.76Å; W100-H116 HydrophobicContact CZ2-CB 3.36Å; W100-H116 AromaticContact CZ2-CG 3.82Å; W100-H116 HydrophobicContact CZ3-CB 4.11Å; W100-H116 PolarHBondContact N-O 2.81Å; W100-H116 AromaticContact NE1-CD2 3.72Å; W100-H116 AromaticContact NE1-CG 3.81Å; W100-H116 PolarHBondContact O-N 3.44Å; W100-V118 HydrophobicContact CH2-CG1 3.73Å; W100-V118 HydrophobicContact CZ3-CB 4.44Å; W100-V118 HydrophobicContact CZ3-CG1 3.71Å; W100-V118 HydrophobicContact CZ3-CG2 4.03Å
101I97.4Very high92.5Very high0 Ų080.2 Ų80.20%039%0.389CS..EExtended strand (participates in β ladder)trans-102.3128174.4-57.4179.6000107.7T29 M31 C37 V38 I85 T86 Y87 L113 R114 C115T29-I101 HydrophobicContact CG2-CD1 4.15Å; T29-I101 HydrophobicContact CG2-CG1 4.34Å; T29-I101 HydrophobicContact CG2-CG2 3.81Å; M31-I101 WeakPolarHBondContact O-CD1 3.32Å; C37-I101 HydrophobicContact CB-CD1 4.35Å; V38-I101 HydrophobicContact CG1-CD1 4.13Å; V38-I101 HydrophobicContact CG1-CG1 4.34Å; I85-I101 WeakPolarHBondContact CA-O 3.21Å; T86-I101 PolarHBondContact N-O 3.43Å; T86-I101 WeakPolarHBondContact OG1-CB 3.46Å; T86-I101 WeakPolarHBondContact OG1-CG2 3.48Å; T86-I101 PolarHBondContact OG1-O 3.39Å; Y87-I101 HydrophobicContact CD1-CD1 4.24Å; Y87-I101 PolarHBondContact O-N 3.49Å; I101-L113 HydrophobicContact CG2-CB 4.24Å; I101-L113 HydrophobicContact CG2-CD2 4.13Å; I101-R114 WeakPolarHBondContact CA-O 3.38Å; I101-C115 HydrophobicContact CG1-CB 4.44Å
102Y97.1Very high92.5Very high13 Ų1381.8 Ų81.85%0.05140%0.395CS..EExtended strand (participates in β ladder)trans-124135.9-178.4-166.2-103.2000111.1Y80 W81 R84 I85 H104 R114Y80-Y102 AromaticContact CD1-CD1 3.84Å; Y80-Y102 HydrophobicContact CD1-CD1 3.84Å; Y80-Y102 AromaticContact CD1-CD2 3.57Å; Y80-Y102 HydrophobicContact CD1-CD2 3.57Å; Y80-Y102 AromaticContact CD1-CE1 3.97Å; Y80-Y102 HydrophobicContact CD1-CE1 3.97Å; Y80-Y102 AromaticContact CD1-CE2 3.73Å; Y80-Y102 HydrophobicContact CD1-CE2 3.73Å; Y80-Y102 AromaticContact CD1-CG 3.6Å; Y80-Y102 HydrophobicContact CD1-CG 3.6Å; Y80-Y102 AromaticContact CD1-CZ 3.9Å; Y80-Y102 HydrophobicContact CE1-CD1 4.25Å; Y80-Y102 HydrophobicContact CE1-CG 4.21Å; Y80-Y102 HydrophobicContact CG-CD2 4.24Å; Y80-Y102 HydrophobicContact CG-CE2 4.17Å; W81-Y102 PolarHBondContact N-OH 2.78Å; R84-Y102 HydrophobicContact CB-CD2 3.77Å; R84-Y102 HydrophobicContact CB-CE1 4.08Å; R84-Y102 HydrophobicContact CB-CE2 3.22Å; R84-Y102 HydrophobicContact CB-CG 4.41Å; R84-Y102 VanDerWaalsContact CB-CZ 3.43Å; R84-Y102 VanDerWaalsContact CD-OH 3.26Å; R84-Y102 WeakPolarHBondContact CD-OH 3.47Å; R84-Y102 HydrophobicContact CG-CE2 4.39Å; R84-Y102 CarbonylContact O-C 3.58Å; R84-Y102 WeakPolarHBondContact O-CA 3.4Å; I85-Y102 HydrophobicContact CG1-CD2 3.72Å; I85-Y102 HydrophobicContact CG1-CE2 4.09Å; Y102-H104 AromaticContact CD1-CD2 3.65Å; Y102-H104 AromaticContact CD1-CE1 3.49Å; Y102-H104 VanDerWaalsContact CD1-CE1 3.49Å; Y102-H104 WeakPolarHBondContact CD1-CE1 3.49Å; Y102-H104 AromaticContact CD1-CG 3.92Å; Y102-H104 AromaticContact CD1-ND1 3.81Å; Y102-H104 AromaticContact CD1-NE2 3.4Å; Y102-H104 WeakPolarHBondContact CD1-NE2 3.5Å; Y102-H104 AromaticContact CE1-CE1 3.98Å; Y102-H104 PolarHBondContact O-CD2 2.79Å; Y102-H104 PolarHBondContact O-N 3.09Å; Y102-R114 PolarHBondContact N-O 3.38Å; Y102-R114 PolarHBondContact O-N 3.37Å
103K95.7Very high92.7Very high94 Ų9476.8 Ų76.841%0.40936%0.363SS..EExtended strand (participates in β ladder)trans-80.7107.2171.3-172.3179.8-179.8179.80109.7R84 P111 L113R84-K103 HydrophobicContact CB-CB 4.37Å; R84-K103 HydrophobicContact CG-CB 4.48Å; R84-K103 PolarHBondContact O-N 2.9Å; K103-P111 HydrophobicContact CG-CB 4.49Å; K103-L113 HydrophobicContact CB-CD2 4.16Å
104H93.5Very high93Very high46 Ų4677 Ų7721%0.21334%0.343CS..EExtended strand (participates in β ladder)trans-92.9154.6171.7-71-84.4000111.2Y102 E112 R114 H116Y102-H104 AromaticContact CD1-CD2 3.65Å; Y102-H104 AromaticContact CD1-CE1 3.49Å; Y102-H104 VanDerWaalsContact CD1-CE1 3.49Å; Y102-H104 WeakPolarHBondContact CD1-CE1 3.49Å; Y102-H104 AromaticContact CD1-CG 3.92Å; Y102-H104 AromaticContact CD1-ND1 3.81Å; Y102-H104 AromaticContact CD1-NE2 3.4Å; Y102-H104 WeakPolarHBondContact CD1-NE2 3.5Å; Y102-H104 AromaticContact CE1-CE1 3.98Å; Y102-H104 PolarHBondContact O-CD2 2.79Å; Y102-H104 PolarHBondContact O-N 3.09Å; H104-E112 PolarHBondContact N-O 3.28Å; H104-E112 PolarHBondContact O-N 2.94Å; H104-R114 VanDerWaalsContact CD2-CD 3.5Å; H104-R114 WeakPolarHBondContact CD2-CD 3.4Å; H104-H116 AromaticContact CD2-NE2 3.86Å; H104-H116 AromaticContact CE1-NE2 3.69Å; H104-H116 AromaticContact NE2-CE1 3.51Å; H104-H116 AromaticContact NE2-NE2 2.82Å; H104-H116 PolarHBondContact NE2-NE2 3.09Å
105D90.4Very high93.2Very high85 Ų8574.2 Ų74.246%0.45533%0.332SS..EExtended strand (participates in β ladder)trans-88.3107.9166.5-53-43000106.4R84 M109R84-D105 IonicContact CZ-OD1 3.37Å; R84-D105 IonicContact CZ-OD2 3.8Å; R84-D105 VanDerWaalsContact CZ-OD2 3.23Å; R84-D105 IonicContact NH1-OD1 2.87Å; R84-D105 IonicContact NH1-OD2 3.44Å; R84-D105 PolarHBondContact NH1-OD2 3.09Å; R84-D105 IonicContact NH2-OD1 3.08Å; R84-D105 IonicContact NH2-OD2 2.68Å; R84-D105 PolarHBondContact NH2-OD2 3.37Å; D105-M109 HydrophobicContact CB-SD 4.46Å
106G83.9Confident93.4Very high20 Ų2067.5 Ų67.521%0.20630%0.3CS..  trans-78.1-164.7-178.300000112.7R108 M109 K110G106-R108 PolarHBondContact O-N 3.44Å; G106-M109 PolarHBondContact O-N 2.85Å; G106-K110 VanDerWaalsContact CA-O 3.25Å; G106-K110 WeakPolarHBondContact CA-O 3.48Å; G106-K110 PolarHBondContact N-O 3.46Å
107R85.2Confident93.5Very high232 Ų23262 Ų6288%0.87528%0.28SS*.G310 helixtrans-60.9139.4173.4-66.6-176.2-177.1-104.22.2109.7M109 K110R107-M109 VanDerWaalsContact C-N 3.26Å; R107-M109 PolarHBondContact O-N 3.05Å; R107-K110 WeakPolarHBondContact O-CB 3.44Å; R107-K110 PolarHBondContact O-N 3.46Å
108R87.3Confident93.5Very high252 Ų25262 Ų6295%0.95128%0.279SS*.G310 helixtrans58.334.4-178.3-46-179.590.2-176.86.2113.3G106 K110G106-R108 PolarHBondContact O-N 3.44Å; R108-K110 PolarHBondContact O-N 2.82Å
109M84.1Confident93.5Very high157 Ų15762.4 Ų62.477%0.77328%0.282SS*.G310 helixtrans58.815-178.4-59-62.2173.900114.6D105 G106 R107D105-M109 HydrophobicContact CB-SD 4.46Å; G106-M109 PolarHBondContact O-N 2.85Å; R107-M109 VanDerWaalsContact C-N 3.26Å; R107-M109 PolarHBondContact O-N 3.05Å
110K89.5Confident93.5Very high154 Ų15462.6 Ų62.667%0.6728%0.282SS*.  trans-69.5126.8176.6-174.6174.9-179.1173.60109.4G106 R107 R108 E112G106-K110 VanDerWaalsContact CA-O 3.25Å; G106-K110 WeakPolarHBondContact CA-O 3.48Å; G106-K110 PolarHBondContact N-O 3.46Å; R107-K110 WeakPolarHBondContact O-CB 3.44Å; R107-K110 PolarHBondContact O-N 3.46Å; R108-K110 PolarHBondContact O-N 2.82Å; K110-E112 PolarHBondContact O-N 3.41Å
111P90.4Very high93.4Very high80 Ų8071.3 Ų71.352%0.51932%0.315SS..EExtended strand (participates in β ladder)trans-63.9130.1177.826.1-34.1000110.8K103K103-P111 HydrophobicContact CG-CB 4.49Å
112E94.6Very high93.3Very high54 Ų5477.8 Ų77.825%0.25234%0.34SS..EExtended strand (participates in β ladder)trans-126.6135.2177.2-174.5-173.5-174.300109.6P28 H104 K110 R114P28-E112 WeakPolarHBondContact CB-OE1 3.43Å; H104-E112 PolarHBondContact N-O 3.28Å; H104-E112 PolarHBondContact O-N 2.94Å; K110-E112 PolarHBondContact O-N 3.41Å; E112-R114 VanDerWaalsContact CD-NH2 3.33Å; E112-R114 HydrophobicContact CG-CG 4.31Å; E112-R114 IonicContact OE1-CZ 3.36Å; E112-R114 IonicContact OE1-NE 3.05Å; E112-R114 PolarHBondContact OE1-NE 3.42Å; E112-R114 IonicContact OE1-NH2 2.79Å; E112-R114 PolarHBondContact OE1-NH2 3.34Å; E112-R114 VanDerWaalsContact OE1-NH2 3.09Å; E112-R114 IonicContact OE2-CZ 2.83Å; E112-R114 IonicContact OE2-NE 3.09Å; E112-R114 PolarHBondContact OE2-NE 2.96Å; E112-R114 IonicContact OE2-NH2 3.5Å; E112-R114 PolarHBondContact OE2-NH2 3.5Å
113L95.6Very high93.2Very high38 Ų3878.8 Ų78.820%0.19935%0.348CS..EExtended strand (participates in β ladder)trans-94.9129.5173.8-67.7168.6000109.4P28 T29 A32 T86 I101 K103P28-L113 WeakPolarHBondContact CA-O 3.4Å; T29-L113 HydrophobicContact CG2-CB 3.99Å; T29-L113 PolarHBondContact N-O 3.17Å; T29-L113 VanDerWaalsContact O-CB 3.24Å; T29-L113 WeakPolarHBondContact O-CB 3.4Å; A32-L113 HydrophobicContact CB-CD1 3.7Å; A32-L113 HydrophobicContact CB-CD2 4.37Å; T86-L113 HydrophobicContact CG2-CD2 4.03Å; I101-L113 HydrophobicContact CG2-CB 4.24Å; I101-L113 HydrophobicContact CG2-CD2 4.13Å; K103-L113 HydrophobicContact CB-CD2 4.16Å
114R96.2Very high93.3Very high73 Ų7379 Ų7928%0.27535%0.354SS..EExtended strand (participates in β ladder)trans-125.5132.9175.6-60.2-176.9172.2-119.1-6.3110.4N26 V27 I101 Y102 H104 E112N26-R114 PolarHBondContact OD1-NH1 3.22Å; V27-R114 WeakPolarHBondContact O-CA 3.26Å; I101-R114 WeakPolarHBondContact CA-O 3.38Å; Y102-R114 PolarHBondContact N-O 3.38Å; Y102-R114 PolarHBondContact O-N 3.37Å; H104-R114 VanDerWaalsContact CD2-CD 3.5Å; H104-R114 WeakPolarHBondContact CD2-CD 3.4Å; E112-R114 VanDerWaalsContact CD-NH2 3.33Å; E112-R114 HydrophobicContact CG-CG 4.31Å; E112-R114 IonicContact OE1-CZ 3.36Å; E112-R114 IonicContact OE1-NE 3.05Å; E112-R114 PolarHBondContact OE1-NE 3.42Å; E112-R114 IonicContact OE1-NH2 2.79Å; E112-R114 PolarHBondContact OE1-NH2 3.34Å; E112-R114 VanDerWaalsContact OE1-NH2 3.09Å; E112-R114 IonicContact OE2-CZ 2.83Å; E112-R114 IonicContact OE2-NE 3.09Å; E112-R114 PolarHBondContact OE2-NE 2.96Å; E112-R114 IonicContact OE2-NH2 3.5Å; E112-R114 PolarHBondContact OE2-NH2 3.5Å
115C97.3Very high93.4Very high0 Ų078.8 Ų78.80%035%0.353CS..EExtended strand (participates in β ladder)trans-85.2125.6168.5-177.90000108.5N26 V27 T29 P41 W100 I101N26-C115 CarbonylContact C-O 3.56Å; N26-C115 WeakPolarHBondContact CA-O 3.35Å; N26-C115 WeakPolarHBondContact CB-O 3.31Å; V27-C115 PolarHBondContact N-O 2.95Å; V27-C115 PolarHBondContact O-N 3.32Å; T29-C115 HydrophobicContact CG2-CB 4.27Å; P41-C115 HydrophobicContact CB-CB 3.68Å; P41-C115 HydrophobicContact CG-CB 3.85Å; W100-C115 WeakPolarHBondContact O-CA 2.96Å; I101-C115 HydrophobicContact CG1-CB 4.44Å
116H97.6Very high93.7Very high4 Ų474.8 Ų74.82%0.01933%0.332CS..EExtended strand (participates in β ladder)trans-108.1145.1172.6-65.3-96.9000109.3Y23 Y80 C99 W100 H104Y23-H116 PolarHBondContact OH-ND1 2.94Å; Y80-H116 AromaticContact CE1-CE1 3.78Å; Y80-H116 AromaticContact CE1-NE2 3.77Å; Y80-H116 AromaticContact CZ-CE1 3.99Å; Y80-H116 PolarHBondContact OH-CE1 3.45Å; Y80-H116 PolarHBondContact OH-ND1 2.84Å; C99-H116 CarbonylContact C-O 3.51Å; C99-H116 WeakPolarHBondContact CA-O 3.48Å; C99-H116 WeakPolarHBondContact CB-O 3.35Å; W100-H116 HydrophobicContact CD2-CB 3.74Å; W100-H116 AromaticContact CE2-CG 3.81Å; W100-H116 HydrophobicContact CE3-CB 4.1Å; W100-H116 HydrophobicContact CG-CB 4.37Å; W100-H116 HydrophobicContact CH2-CB 3.76Å; W100-H116 HydrophobicContact CZ2-CB 3.36Å; W100-H116 AromaticContact CZ2-CG 3.82Å; W100-H116 HydrophobicContact CZ3-CB 4.11Å; W100-H116 PolarHBondContact N-O 2.81Å; W100-H116 AromaticContact NE1-CD2 3.72Å; W100-H116 AromaticContact NE1-CG 3.81Å; W100-H116 PolarHBondContact O-N 3.44Å; H104-H116 AromaticContact CD2-NE2 3.86Å; H104-H116 AromaticContact CE1-NE2 3.69Å; H104-H116 AromaticContact NE2-CE1 3.51Å; H104-H116 AromaticContact NE2-NE2 2.82Å; H104-H116 PolarHBondContact NE2-NE2 3.09Å
117A97.7Very high94.3Very high0 Ų080.2 Ų80.20%035%0.346CS..EExtended strand (participates in β ladder)trans-136.2144.9174.900000112.5Y23 L24 G25 L42 I45 V97 F98 C99Y23-A117 WeakPolarHBondContact CD2-O 3.47Å; L24-A117 HydrophobicContact CB-CB 4.3Å; L24-A117 WeakPolarHBondContact CB-O 3.39Å; L24-A117 HydrophobicContact CD1-CB 4.11Å; L24-A117 PolarHBondContact N-O 3.36Å; G25-A117 PolarHBondContact O-N 2.91Å; G25-A117 VanDerWaalsContact O-N 3.13Å; L42-A117 HydrophobicContact CD1-CB 3.89Å; I45-A117 HydrophobicContact CD1-CB 4.1Å; I45-A117 HydrophobicContact CG2-CB 4.08Å; V97-A117 HydrophobicContact CG1-CB 4.17Å; F98-A117 WeakPolarHBondContact O-CA 3.43Å; C99-A117 HydrophobicContact CB-CB 4.13Å
118V97.5Very high94.9Very high0 Ų077.5 Ų77.50%034%0.336CS..EExtended strand (participates in β ladder)trans-131152.3175.3-63.40000110.1V21 I22 Y23 M59 F61 V97 F98 W100 F120V21-V118 HydrophobicContact CB-CB 4.29Å; V21-V118 HydrophobicContact CG2-CB 3.98Å; V21-V118 HydrophobicContact CG2-CG1 4.08Å; I22-V118 CarbonylContact O-C 3.49Å; I22-V118 WeakPolarHBondContact O-CA 3.43Å; Y23-V118 HydrophobicContact CD2-CG1 3.98Å; M59-V118 HydrophobicContact CE-CG1 3.44Å; M59-V118 VanDerWaalsContact CE-CG1 3.44Å; F61-V118 HydrophobicContact CD2-CG1 4.41Å; F61-V118 HydrophobicContact CE2-CG1 4.49Å; V97-V118 WeakPolarHBondContact CA-O 3.37Å; F98-V118 HydrophobicContact CB-CG2 3.94Å; F98-V118 HydrophobicContact CD1-CG2 3.87Å; F98-V118 HydrophobicContact CG-CG2 4.42Å; F98-V118 PolarHBondContact N-O 3Å; F98-V118 PolarHBondContact O-N 2.9Å; W100-V118 HydrophobicContact CH2-CG1 3.73Å; W100-V118 HydrophobicContact CZ3-CB 4.44Å; W100-V118 HydrophobicContact CZ3-CG1 3.71Å; W100-V118 HydrophobicContact CZ3-CG2 4.03Å; V118-F120 HydrophobicContact CG2-CD2 4.17Å; V118-F120 HydrophobicContact CG2-CE2 3.6Å; V118-F120 HydrophobicContact CG2-CZ 4.4Å
119L97Very high95.3Very high9 Ų965.5 Ų65.55%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-111.4121.1177.9-175.970.8000110.2V21 I22 L24 W46 Y49 R96 V97V21-L119 WeakPolarHBondContact CA-O 3.44Å; V21-L119 WeakPolarHBondContact CB-O 3.45Å; I22-L119 HydrophobicContact CB-CB 4.32Å; I22-L119 PolarHBondContact N-O 3.14Å; I22-L119 PolarHBondContact O-N 2.84Å; L24-L119 HydrophobicContact CD1-CB 4.22Å; L24-L119 HydrophobicContact CD2-CB 3.87Å; L24-L119 HydrophobicContact CG-CB 4.13Å; W46-L119 HydrophobicContact CZ3-CD1 4.24Å; Y49-L119 HydrophobicContact CE1-CD2 4.11Å; Y49-L119 WeakPolarHBondContact OH-CD2 3.45Å; R96-L119 HydrophobicContact CB-CD1 3.82Å; V97-L119 HydrophobicContact CG2-CD1 3.88Å
120F97.3Very high95.9Very high4 Ų458.5 Ų58.52%0.01826%0.258CS..  trans-87.4161.9175.3-76.9-95.5000111.9Y19 V21 F61 R96 F98 V118 Q125 A126 V129Y19-F120 HydrophobicContact CD1-CE1 4.13Å; Y19-F120 HydrophobicContact CD2-CE1 4.19Å; Y19-F120 AromaticContact CG-CE1 3.75Å; Y19-F120 HydrophobicContact CG-CE1 3.75Å; V21-F120 HydrophobicContact CG1-CD1 3.61Å; V21-F120 HydrophobicContact CG1-CD2 4.19Å; V21-F120 HydrophobicContact CG1-CE1 3.47Å; V21-F120 VanDerWaalsContact CG1-CE1 3.47Å; V21-F120 HydrophobicContact CG1-CE2 4.05Å; V21-F120 HydrophobicContact CG1-CG 3.97Å; V21-F120 HydrophobicContact CG1-CZ 3.7Å; F61-F120 HydrophobicContact CD1-CZ 4.05Å; F61-F120 HydrophobicContact CE1-CZ 4.31Å; R96-F120 VanDerWaalsContact CB-O 3.32Å; R96-F120 WeakPolarHBondContact CB-O 3.46Å; R96-F120 PolarHBondContact O-N 2.9Å; F98-F120 HydrophobicContact CB-CD2 4Å; F98-F120 HydrophobicContact CB-CE2 3.55Å; F98-F120 HydrophobicContact CD1-CE2 4.31Å; F98-F120 HydrophobicContact CG-CE2 4.2Å; V118-F120 HydrophobicContact CG2-CD2 4.17Å; V118-F120 HydrophobicContact CG2-CE2 3.6Å; V118-F120 HydrophobicContact CG2-CZ 4.4Å; F120-Q125 HydrophobicContact CB-CB 4.31Å; F120-Q125 HydrophobicContact CD1-CB 3.68Å; F120-Q125 HydrophobicContact CE1-CB 4.38Å; F120-Q125 HydrophobicContact CG-CB 4.23Å; F120-A126 HydrophobicContact CB-CB 4.32Å; F120-A126 HydrophobicContact CD2-CB 3.71Å; F120-A126 HydrophobicContact CE2-CB 4.36Å; F120-A126 HydrophobicContact CG-CB 4.14Å; F120-V129 HydrophobicContact CE1-CG2 3.77Å; F120-V129 HydrophobicContact CE2-CG1 4.48Å; F120-V129 HydrophobicContact CZ-CB 3.98Å; F120-V129 HydrophobicContact CZ-CG1 3.95Å; F120-V129 HydrophobicContact CZ-CG2 3.67Å
121R95.4Very high96.3Very high182 Ų18254 Ų5469%0.68725%0.249SC*.SBendtrans-66.7-37.5171.8-175.3176134.598.5-1.9112.4
122R96.1Very high96.5Very high137 Ų13752.9 Ų52.952%0.51724%0.236SC..SBendtrans-128143.2-177.2-62.3-178.2179.9132.7-3.8111.1N124 Q125 A126R122-N124 VanDerWaalsContact C-N 3.32Å; R122-N124 PolarHBondContact O-N 2.8Å; R122-Q125 HydrophobicContact CB-CG 4.16Å; R122-Q125 WeakPolarHBondContact O-CB 3.48Å; R122-Q125 PolarHBondContact O-N 2.84Å; R122-Q125 VanDerWaalsContact O-N 3.09Å; R122-A126 PolarHBondContact O-N 2.77Å
123S95.6Very high96.7Very high33 Ų3350.3 Ų50.323%0.23122%0.224CC..Hα-helixtrans-64.7-36.7179.955.10000112.4Q125 A126 R127S123-Q125 VanDerWaalsContact C-N 3.26Å; S123-Q125 PolarHBondContact O-N 2.91Å; S123-A126 PolarHBondContact O-N 3.24Å; S123-R127 PolarHBondContact O-N 3.28Å
124N96.3Very high96.7Very high99 Ų9954.1 Ų54.153%0.52924%0.241SC..Hα-helixtrans-59.1-33.7173.2-76.7-36.7000113.1R122 R127 R128R122-N124 VanDerWaalsContact C-N 3.32Å; R122-N124 PolarHBondContact O-N 2.8Å; N124-R127 PolarHBondContact OD1-NH2 3.33Å; N124-R128 WeakPolarHBondContact O-CB 3.25Å; N124-R128 VanDerWaalsContact O-CG 3.27Å; N124-R128 WeakPolarHBondContact O-CG 3.46Å; N124-R128 PolarHBondContact O-N 2.87Å
125Q96.4Very high96.6Very high41 Ų4154.8 Ų54.819%0.19225%0.247CC..Hα-helixtrans-68.3-45.7178-70.7178.111.100111.1F120 R122 S123 R127 R128 V129F120-Q125 HydrophobicContact CB-CB 4.31Å; F120-Q125 HydrophobicContact CD1-CB 3.68Å; F120-Q125 HydrophobicContact CE1-CB 4.38Å; F120-Q125 HydrophobicContact CG-CB 4.23Å; R122-Q125 HydrophobicContact CB-CG 4.16Å; R122-Q125 WeakPolarHBondContact O-CB 3.48Å; R122-Q125 PolarHBondContact O-N 2.84Å; R122-Q125 VanDerWaalsContact O-N 3.09Å; S123-Q125 VanDerWaalsContact C-N 3.26Å; S123-Q125 PolarHBondContact O-N 2.91Å; Q125-R127 VanDerWaalsContact C-N 3.32Å; Q125-R127 PolarHBondContact O-N 2.84Å; Q125-R128 PolarHBondContact O-N 3.35Å; Q125-V129 WeakPolarHBondContact O-CB 3.41Å; Q125-V129 WeakPolarHBondContact O-CG2 3.46Å; Q125-V129 PolarHBondContact O-N 2.77Å
126A97Very high96.5Very high1 Ų156.9 Ų56.91%0.00826%0.255CS..Hα-helixtrans-57.2-44.6177.500000112A90 F98 F120 R122 S123 V129 A130A90-A126 HydrophobicContact CB-CB 4.31Å; F98-A126 HydrophobicContact CB-CB 4.21Å; F120-A126 HydrophobicContact CB-CB 4.32Å; F120-A126 HydrophobicContact CD2-CB 3.71Å; F120-A126 HydrophobicContact CE2-CB 4.36Å; F120-A126 HydrophobicContact CG-CB 4.14Å; R122-A126 PolarHBondContact O-N 2.77Å; S123-A126 PolarHBondContact O-N 3.24Å; A126-V129 PolarHBondContact O-N 3.35Å; A126-A130 PolarHBondContact O-N 3.02Å
127R96.7Very high96.4Very high134 Ų13458.1 Ų58.151%0.50626%0.262SS..Hα-helixtrans-64.3-44.7176-72.8-168.4-69-96.46.2113.1A90 S123 N124 Q125 V129 A130 A131A90-R127 HydrophobicContact CB-CG 4.08Å; S123-R127 PolarHBondContact O-N 3.28Å; N124-R127 PolarHBondContact OD1-NH2 3.33Å; Q125-R127 VanDerWaalsContact C-N 3.32Å; Q125-R127 PolarHBondContact O-N 2.84Å; R127-V129 VanDerWaalsContact C-N 3.3Å; R127-V129 PolarHBondContact O-N 2.99Å; R127-A130 PolarHBondContact O-N 3.17Å; R127-A131 PolarHBondContact O-N 3.27Å
128R96.4Very high96.2Very high175 Ų17561.8 Ų61.866%0.6628%0.284SS*.Hα-helixtrans-60.4-41.6176.7-76.8176.965173.80.9111.6N124 Q125 K132N124-R128 WeakPolarHBondContact O-CB 3.25Å; N124-R128 VanDerWaalsContact O-CG 3.27Å; N124-R128 WeakPolarHBondContact O-CG 3.46Å; N124-R128 PolarHBondContact O-N 2.87Å; Q125-R128 PolarHBondContact O-N 3.35Å; R128-K132 VanDerWaalsContact O-CB 3.23Å; R128-K132 WeakPolarHBondContact O-CB 3.26Å; R128-K132 PolarHBondContact O-N 3.37Å
129V97.1Very high96Very high0 Ų064.1 Ų64.10%030%0.296CS..Hα-helixtrans-64.7-44.6176.7164.10000111.3Y19 F61 V63 F98 F120 Q125 A126 R127 K132 L133Y19-V129 HydrophobicContact CD2-CG2 3.8Å; Y19-V129 HydrophobicContact CE1-CG2 4.37Å; Y19-V129 HydrophobicContact CE2-CG2 3.38Å; Y19-V129 HydrophobicContact CG-CG2 4.44Å; F61-V129 HydrophobicContact CD1-CG1 4.46Å; F61-V129 HydrophobicContact CE1-CG1 3.67Å; F61-V129 HydrophobicContact CZ-CG1 4.48Å; V63-V129 HydrophobicContact CG2-CG1 3.87Å; V63-V129 HydrophobicContact CG2-CG2 4.38Å; F98-V129 HydrophobicContact CD1-CG1 4.07Å; F98-V129 HydrophobicContact CD2-CG1 4.41Å; F98-V129 HydrophobicContact CE1-CG1 4.07Å; F98-V129 HydrophobicContact CE2-CG1 4.41Å; F98-V129 HydrophobicContact CG-CG1 4.25Å; F98-V129 HydrophobicContact CZ-CG1 4.23Å; F120-V129 HydrophobicContact CE1-CG2 3.77Å; F120-V129 HydrophobicContact CE2-CG1 4.48Å; F120-V129 HydrophobicContact CZ-CB 3.98Å; F120-V129 HydrophobicContact CZ-CG1 3.95Å; F120-V129 HydrophobicContact CZ-CG2 3.67Å; Q125-V129 WeakPolarHBondContact O-CB 3.41Å; Q125-V129 WeakPolarHBondContact O-CG2 3.46Å; Q125-V129 PolarHBondContact O-N 2.77Å; A126-V129 PolarHBondContact O-N 3.35Å; R127-V129 VanDerWaalsContact C-N 3.3Å; R127-V129 PolarHBondContact O-N 2.99Å; V129-K132 PolarHBondContact O-N 2.96Å; V129-L133 WeakPolarHBondContact O-CB 3.45Å; V129-L133 PolarHBondContact O-N 3.11Å
130A96.7Very high95.8Very high10 Ų1063.7 Ų63.78%0.08329%0.294CS..Hα-helixtrans-59.3-50.7176.900000112A90 F98 A126 R127 K132 L133 Q134A90-A130 HydrophobicContact CB-CB 3.94Å; F98-A130 HydrophobicContact CD2-CB 3.79Å; F98-A130 HydrophobicContact CE2-CB 3.66Å; A126-A130 PolarHBondContact O-N 3.02Å; R127-A130 PolarHBondContact O-N 3.17Å; A130-K132 VanDerWaalsContact C-N 3.35Å; A130-K132 PolarHBondContact O-N 3.46Å; A130-L133 PolarHBondContact O-N 2.76Å; A130-Q134 WeakPolarHBondContact O-CB 3.43Å; A130-Q134 PolarHBondContact O-N 2.96Å
131A96.6Very high95.6Very high60 Ų6066.5 Ų66.550%0.49631%0.309SS..Hα-helixtrans-61-43.7177.800000111.7R127 Q134 E135R127-A131 PolarHBondContact O-N 3.27Å; A131-Q134 PolarHBondContact O-N 3.45Å; A131-E135 WeakPolarHBondContact O-CB 3.48Å; A131-E135 PolarHBondContact O-N 2.98Å
132K95.9Very high95.5Very high56 Ų5660.9 Ų60.924%0.24329%0.292CS..Hα-helixtrans-66.4-42.7-179.6-169.156.6172.7179.10112.1V63 R128 V129 A130 E135 R136V63-K132 HydrophobicContact CG1-CG 4.36Å; R128-K132 VanDerWaalsContact O-CB 3.23Å; R128-K132 WeakPolarHBondContact O-CB 3.26Å; R128-K132 PolarHBondContact O-N 3.37Å; V129-K132 PolarHBondContact O-N 2.96Å; A130-K132 VanDerWaalsContact C-N 3.35Å; A130-K132 PolarHBondContact O-N 3.46Å; K132-E135 WeakPolarHBondContact CD-OE2 3.32Å; K132-E135 IonicContact NZ-OE1 3.5Å; K132-E135 PolarHBondContact NZ-OE1 3.31Å; K132-E135 IonicContact NZ-OE2 2.78Å; K132-E135 PolarHBondContact NZ-OE2 3.17Å; K132-E135 WeakPolarHBondContact O-CB 3.37Å; K132-E135 PolarHBondContact O-N 3.15Å; K132-R136 VanDerWaalsContact O-CG 3.3Å; K132-R136 WeakPolarHBondContact O-CG 3.28Å; K132-R136 PolarHBondContact O-N 3.41Å
133L97Very high95.2Very high0 Ų055 Ų550%027%0.271CS..Hα-helixtrans-63.1-45.7176.5-18063.2000110.5V63 L68 C88 F98 V129 A130 E135 R136 L137V63-L133 HydrophobicContact CG1-CB 4.2Å; V63-L133 HydrophobicContact CG1-CD1 4.18Å; L68-L133 HydrophobicContact CD1-CD2 3.89Å; L68-L133 HydrophobicContact CD2-CD1 3.78Å; L68-L133 HydrophobicContact CD2-CD2 3.93Å; L68-L133 HydrophobicContact CD2-CG 4.35Å; L68-L133 HydrophobicContact CG-CD1 3.99Å; L68-L133 HydrophobicContact CG-CD2 4Å; C88-L133 HydrophobicContact CB-CD2 3.82Å; F98-L133 HydrophobicContact CE1-CD2 4.45Å; F98-L133 HydrophobicContact CZ-CD2 3.74Å; V129-L133 WeakPolarHBondContact O-CB 3.45Å; V129-L133 PolarHBondContact O-N 3.11Å; A130-L133 PolarHBondContact O-N 2.76Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 3.27Å; L133-R136 PolarHBondContact O-N 3.22Å; L133-R136 VanDerWaalsContact O-N 3.14Å; L133-L137 HydrophobicContact CD1-CD1 4.39Å; L133-L137 HydrophobicContact CD1-CD2 4.37Å; L133-L137 HydrophobicContact CD1-CG 4.1Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.15Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 2.96Å
134Q96.2Very high94.9Very high118 Ų11855.1 Ų55.155%0.55127%0.267SS*.Hα-helixtrans-57.7-45.2177.6-175.7175.4-11.300111.9A130 A131 L137 V138A130-Q134 WeakPolarHBondContact O-CB 3.43Å; A130-Q134 PolarHBondContact O-N 2.96Å; A131-Q134 PolarHBondContact O-N 3.45Å; Q134-L137 PolarHBondContact O-N 3.13Å; Q134-V138 WeakPolarHBondContact O-CG2 3.39Å; Q134-V138 PolarHBondContact O-N 3.07Å; Q134-V138 VanDerWaalsContact O-N 3.09Å
135E95.5Very high94.7Very high87 Ų8755.8 Ų55.841%0.40727%0.265SS..Hα-helixtrans-56.6-50173.3-173.6-157.1149.600111.4A131 K132 L133 L137 V138 I139A131-E135 WeakPolarHBondContact O-CB 3.48Å; A131-E135 PolarHBondContact O-N 2.98Å; K132-E135 WeakPolarHBondContact CD-OE2 3.32Å; K132-E135 IonicContact NZ-OE1 3.5Å; K132-E135 PolarHBondContact NZ-OE1 3.31Å; K132-E135 IonicContact NZ-OE2 2.78Å; K132-E135 PolarHBondContact NZ-OE2 3.17Å; K132-E135 WeakPolarHBondContact O-CB 3.37Å; K132-E135 PolarHBondContact O-N 3.15Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 3.27Å; E135-L137 PolarHBondContact O-N 3.25Å; E135-V138 PolarHBondContact O-N 2.95Å; E135-I139 HydrophobicContact CG-CD1 4.01Å; E135-I139 VanDerWaalsContact O-CG1 3.31Å; E135-I139 WeakPolarHBondContact O-CG1 3.48Å; E135-I139 PolarHBondContact O-N 3.45Å
136R94.1Very high94.3Very high44 Ų4460.2 Ų60.217%0.16628%0.28CS..Hα-helixtrans-63-39.8179.5-68.2-60.7-165.1-168.51.6112.6K132 L133 I139 A140K132-R136 VanDerWaalsContact O-CG 3.3Å; K132-R136 WeakPolarHBondContact O-CG 3.28Å; K132-R136 PolarHBondContact O-N 3.41Å; L133-R136 PolarHBondContact O-N 3.22Å; L133-R136 VanDerWaalsContact O-N 3.14Å; R136-I139 PolarHBondContact O-N 2.67Å; R136-A140 VanDerWaalsContact O-CB 3.32Å; R136-A140 WeakPolarHBondContact O-CB 3.45Å; R136-A140 PolarHBondContact O-N 2.86Å
137L95Very high93.7Very high30 Ų3060.4 Ų60.416%0.15728%0.281CS..Hα-helixtrans-63-42.5177.6-70175.5000111.5S82 I85 L133 Q134 E135 A140 L141S82-L137 WeakPolarHBondContact OG-CD2 3.47Å; I85-L137 HydrophobicContact CB-CD1 4.4Å; I85-L137 HydrophobicContact CB-CD2 4.35Å; I85-L137 HydrophobicContact CD1-CD2 4.26Å; I85-L137 HydrophobicContact CG2-CD1 3.9Å; L133-L137 HydrophobicContact CD1-CD1 4.39Å; L133-L137 HydrophobicContact CD1-CD2 4.37Å; L133-L137 HydrophobicContact CD1-CG 4.1Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.15Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 2.96Å; Q134-L137 PolarHBondContact O-N 3.13Å; E135-L137 PolarHBondContact O-N 3.25Å; L137-A140 PolarHBondContact O-N 3.41Å; L137-L141 WeakPolarHBondContact O-CB 3.4Å; L137-L141 PolarHBondContact O-N 3.23Å
138V94.6Very high93.1Very high78 Ų7859.2 Ų59.247%0.47328%0.279SS..Hα-helixtrans-64.5-45.6176172.70000110.8Q134 E135 A140 L141 N142Q134-V138 WeakPolarHBondContact O-CG2 3.39Å; Q134-V138 PolarHBondContact O-N 3.07Å; Q134-V138 VanDerWaalsContact O-N 3.09Å; E135-V138 PolarHBondContact O-N 2.95Å; V138-A140 PolarHBondContact O-N 3.32Å; V138-L141 PolarHBondContact O-N 3.4Å; V138-N142 WeakPolarHBondContact O-CB 3.43Å; V138-N142 PolarHBondContact O-N 2.97Å; V138-N142 PolarHBondContact O-ND2 3.31Å
139I92.7Very high92.6Very high49 Ų4955.2 Ų55.225%0.25127%0.27SS..Hα-helixtrans-59.2-48.6176-67.7165.7000110.5E135 R136 L141 N142 D143E135-I139 HydrophobicContact CG-CD1 4.01Å; E135-I139 VanDerWaalsContact O-CG1 3.31Å; E135-I139 WeakPolarHBondContact O-CG1 3.48Å; E135-I139 PolarHBondContact O-N 3.45Å; R136-I139 PolarHBondContact O-N 2.67Å; I139-L141 VanDerWaalsContact C-N 3.33Å; I139-L141 PolarHBondContact O-N 2.81Å; I139-N142 PolarHBondContact O-N 2.9Å; I139-D143 WeakPolarHBondContact O-CB 3.46Å; I139-D143 VanDerWaalsContact O-CG 3.28Å; I139-D143 PolarHBondContact O-N 3.39Å
140A92.4Very high91.9Very high0 Ų057.8 Ų57.80%029%0.285CS..Hα-helixtrans-60.8-41.1179.600000112.1R136 L137 V138 Y144 N176 F177R136-A140 VanDerWaalsContact O-CB 3.32Å; R136-A140 WeakPolarHBondContact O-CB 3.45Å; R136-A140 PolarHBondContact O-N 2.86Å; L137-A140 PolarHBondContact O-N 3.41Å; V138-A140 PolarHBondContact O-N 3.32Å; A140-Y144 WeakPolarHBondContact O-CB 3.45Å; A140-Y144 PolarHBondContact O-N 2.87Å; A140-N176 HydrophobicContact CB-CB 4.27Å; A140-F177 HydrophobicContact CB-CB 4.45Å; A140-F177 HydrophobicContact CB-CD2 4.35Å
141L93.1Very high91Very high63 Ų6362.8 Ų62.833%0.3330%0.302SS..Hα-helixtrans-64.3-43.9175.9178.662.3000112L137 V138 I139 Y144 K145 F177L137-L141 WeakPolarHBondContact O-CB 3.4Å; L137-L141 PolarHBondContact O-N 3.23Å; V138-L141 PolarHBondContact O-N 3.4Å; I139-L141 VanDerWaalsContact C-N 3.33Å; I139-L141 PolarHBondContact O-N 2.81Å; L141-Y144 WeakPolarHBondContact O-CB 3.38Å; L141-Y144 PolarHBondContact O-N 2.85Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 2.74Å; L141-F177 HydrophobicContact CB-CD2 4.35Å; L141-F177 HydrophobicContact CB-CE2 4.15Å; L141-F177 HydrophobicContact CD1-CD2 4.5Å; L141-F177 HydrophobicContact CD1-CE1 4.34Å; L141-F177 HydrophobicContact CD1-CE2 3.86Å; L141-F177 HydrophobicContact CD1-CZ 3.77Å
142N93Very high90.4Very high63 Ų6365.8 Ų65.834%0.33731%0.306SS..Hα-helixtrans-66.2-42.9178.6-73.2-21.3000111.5V138 I139 Y144 K145 R146V138-N142 WeakPolarHBondContact O-CB 3.43Å; V138-N142 PolarHBondContact O-N 2.97Å; V138-N142 PolarHBondContact O-ND2 3.31Å; I139-N142 PolarHBondContact O-N 2.9Å; N142-Y144 VanDerWaalsContact C-N 3.29Å; N142-Y144 PolarHBondContact O-N 3.42Å; N142-K145 PolarHBondContact O-N 3.38Å; N142-R146 WeakPolarHBondContact O-CG 3.4Å; N142-R146 PolarHBondContact O-N 2.68Å
143D90.6Very high89.7Confident13 Ų1369.9 Ų69.97%0.0732%0.32CS..Hα-helixtrans-58.1-43.8173.8-72-8.7000110.7R65 I139 R146 D147R65-D143 IonicContact CZ-OD2 2.61Å; R65-D143 IonicContact NE-OD2 3.75Å; R65-D143 IonicContact NH2-OD2 3.39Å; R65-D143 PolarHBondContact NH2-OD2 3.34Å; I139-D143 WeakPolarHBondContact O-CB 3.46Å; I139-D143 VanDerWaalsContact O-CG 3.28Å; I139-D143 PolarHBondContact O-N 3.39Å; D143-R146 PolarHBondContact O-N 3.16Å; D143-R146 IonicContact OD1-CZ 3.17Å; D143-R146 IonicContact OD1-NH1 2.76Å; D143-R146 PolarHBondContact OD1-NH1 3.42Å; D143-D147 WeakPolarHBondContact O-CB 3.26Å; D143-D147 PolarHBondContact O-N 3Å
144Y90.1Very high88.7Confident37 Ų3773.4 Ų73.415%0.14534%0.338CS..Hα-helixtrans-63.4-41.2176177.9-104.1000113.7A140 L141 N142 D147 K148 F177 R178A140-Y144 WeakPolarHBondContact O-CB 3.45Å; A140-Y144 PolarHBondContact O-N 2.87Å; L141-Y144 WeakPolarHBondContact O-CB 3.38Å; L141-Y144 PolarHBondContact O-N 2.85Å; N142-Y144 VanDerWaalsContact C-N 3.29Å; N142-Y144 PolarHBondContact O-N 3.42Å; Y144-D147 PolarHBondContact O-N 3.09Å; Y144-K148 HydrophobicContact CD1-CG 4.45Å; Y144-K148 HydrophobicContact CE1-CG 4.05Å; Y144-K148 HydrophobicContact CE2-CG 4.19Å; Y144-K148 VanDerWaalsContact CZ-CE 3.49Å; Y144-K148 WeakPolarHBondContact O-CB 3.4Å; Y144-K148 WeakPolarHBondContact O-CG 3.42Å; Y144-K148 PolarHBondContact O-N 3.06Å; Y144-K148 WeakPolarHBondContact OH-CE 3.43Å; Y144-F177 AromaticContact CD1-CD1 3.59Å; Y144-F177 HydrophobicContact CD1-CD1 3.59Å; Y144-F177 AromaticContact CD1-CE1 3.9Å; Y144-F177 HydrophobicContact CD1-CE1 3.9Å; Y144-F177 HydrophobicContact CD1-CG 4.39Å; Y144-F177 HydrophobicContact CD2-CB 4.11Å; Y144-F177 AromaticContact CD2-CD1 3.77Å; Y144-F177 HydrophobicContact CD2-CD1 3.77Å; Y144-F177 HydrophobicContact CD2-CG 4.35Å; Y144-F177 HydrophobicContact CE1-CD1 4.03Å; Y144-F177 HydrophobicContact CE1-CE1 4.11Å; Y144-F177 HydrophobicContact CE2-CD1 4.19Å; Y144-F177 HydrophobicContact CG-CB 3.97Å; Y144-F177 AromaticContact CG-CD1 3.44Å; Y144-F177 HydrophobicContact CG-CD1 3.44Å; Y144-F177 VanDerWaalsContact CG-CD1 3.44Å; Y144-F177 HydrophobicContact CG-CE1 4.23Å; Y144-F177 AromaticContact CG-CG 3.94Å; Y144-F177 HydrophobicContact CG-CG 3.94Å; Y144-R178 HydrophobicContact CE2-CG 4.28Å; Y144-R178 PolarHBondContact OH-NE 2.99Å; Y144-R178 VanDerWaalsContact OH-NE 3.11Å
145K90.5Very high87.8Confident113 Ų11378.5 Ų78.549%0.49135%0.352SS..Hα-helixtrans-64-47.4176.1-73.9178.1177.8-175.50111.3L141 N142 D147 K148 I149L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 2.74Å; N142-K145 PolarHBondContact O-N 3.38Å; K145-D147 VanDerWaalsContact C-N 3.31Å; K145-D147 PolarHBondContact O-N 3.23Å; K145-K148 PolarHBondContact O-N 3.31Å; K145-I149 WeakPolarHBondContact O-CG1 3.21Å; K145-I149 PolarHBondContact O-N 3.48Å; K145-I149 VanDerWaalsContact O-N 3.1Å
146R88.4Confident86.9Confident134 Ų13478.7 Ų78.751%0.50636%0.359SS..Hα-helixtrans-58.8-45.3176.7-68.4-168.8-141.4103.8-1.1111N142 D143 K148 I149 V150N142-R146 WeakPolarHBondContact O-CG 3.4Å; N142-R146 PolarHBondContact O-N 2.68Å; D143-R146 PolarHBondContact O-N 3.16Å; D143-R146 IonicContact OD1-CZ 3.17Å; D143-R146 IonicContact OD1-NH1 2.76Å; D143-R146 PolarHBondContact OD1-NH1 3.42Å; R146-K148 PolarHBondContact O-N 3.14Å; R146-I149 PolarHBondContact O-N 3.26Å; R146-V150 VanDerWaalsContact O-CG2 3.32Å; R146-V150 WeakPolarHBondContact O-CG2 3.18Å; R146-V150 PolarHBondContact O-N 3.11Å
147D84.4Confident85.9Confident5 Ų578.8 Ų78.83%0.02737%0.367CS..Hα-helixtrans-60.3-42.8177.5-178.844.3000112.9D143 Y144 K145 I149 V150 R151 Y171 G174D143-D147 WeakPolarHBondContact O-CB 3.26Å; D143-D147 PolarHBondContact O-N 3Å; Y144-D147 PolarHBondContact O-N 3.09Å; K145-D147 VanDerWaalsContact C-N 3.31Å; K145-D147 PolarHBondContact O-N 3.23Å; D147-I149 PolarHBondContact O-N 3.43Å; D147-V150 PolarHBondContact O-N 3.02Å; D147-R151 WeakPolarHBondContact O-CG 3.38Å; D147-R151 PolarHBondContact O-N 2.87Å; D147-R151 IonicContact OD1-CZ 2.97Å; D147-R151 IonicContact OD1-NE 3.03Å; D147-R151 IonicContact OD1-NH1 3.86Å; D147-R151 PolarHBondContact OD1-NH1 3.26Å; D147-R151 IonicContact OD1-NH2 2.71Å; D147-R151 PolarHBondContact OD1-NH2 3.37Å; D147-R151 IonicContact OD2-CZ 3.55Å; D147-R151 IonicContact OD2-NH1 3.61Å; D147-R151 PolarHBondContact OD2-NH1 3.44Å; D147-R151 IonicContact OD2-NH2 3.23Å; D147-R151 PolarHBondContact OD2-NH2 3.49Å; D147-Y171 WeakPolarHBondContact CA-OH 3.41Å; D147-Y171 HydrophobicContact CB-CE1 3.58Å; D147-Y171 PolarHBondContact N-OH 2.78Å; D147-Y171 WeakPolarHBondContact OD1-CE1 3.47Å; D147-G174 WeakPolarHBondContact OD2-CA 3.23Å
148K84.4Confident84.2Confident109 Ų10983.1 Ų83.147%0.47440%0.4SS..Hα-helixtrans-60.7-43.4175-81-69.5-171.8175.40112.4Y144 K145 R146 H152Y144-K148 HydrophobicContact CD1-CG 4.45Å; Y144-K148 HydrophobicContact CE1-CG 4.05Å; Y144-K148 HydrophobicContact CE2-CG 4.19Å; Y144-K148 VanDerWaalsContact CZ-CE 3.49Å; Y144-K148 WeakPolarHBondContact O-CB 3.4Å; Y144-K148 WeakPolarHBondContact O-CG 3.42Å; Y144-K148 PolarHBondContact O-N 3.06Å; Y144-K148 WeakPolarHBondContact OH-CE 3.43Å; K145-K148 PolarHBondContact O-N 3.31Å; R146-K148 PolarHBondContact O-N 3.14Å; K148-H152 WeakPolarHBondContact O-CB 3.44Å; K148-H152 PolarHBondContact O-N 3.1Å
149I86.3Confident82.6Confident90 Ų9082.7 Ų82.746%0.46240%0.4SS..Hα-helixtrans-65.4-45176.8-65164.8000110.7K145 R146 D147 H152 R153K145-I149 WeakPolarHBondContact O-CG1 3.21Å; K145-I149 PolarHBondContact O-N 3.48Å; K145-I149 VanDerWaalsContact O-N 3.1Å; R146-I149 PolarHBondContact O-N 3.26Å; D147-I149 PolarHBondContact O-N 3.43Å; I149-H152 PolarHBondContact O-N 2.94Å; I149-R153 HydrophobicContact CG2-CG 4.48Å; I149-R153 WeakPolarHBondContact O-CG 3.05Å; I149-R153 PolarHBondContact O-N 3.47Å
150V81.2Confident80.9Confident54 Ų5486.1 Ų86.133%0.32742%0.423SS..Hα-helixtrans-62-46.7178.9170.60000111.1R146 D147 H152 R153 L154R146-V150 VanDerWaalsContact O-CG2 3.32Å; R146-V150 WeakPolarHBondContact O-CG2 3.18Å; R146-V150 PolarHBondContact O-N 3.11Å; D147-V150 PolarHBondContact O-N 3.02Å; V150-H152 VanDerWaalsContact C-N 3.33Å; V150-H152 PolarHBondContact O-N 3.37Å; V150-R153 PolarHBondContact O-N 2.75Å; V150-L154 HydrophobicContact CG1-CD1 3.97Å; V150-L154 HydrophobicContact CG1-CG 4.44Å; V150-L154 WeakPolarHBondContact O-CB 3.39Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.49Å
151R79.2Confident79.2Confident116 Ų11693 Ų9344%0.43846%0.46SS..Hα-helixtrans-63.2-38.7176.5-71.2-156.7-162.587.87.2112.9D147 R155D147-R151 WeakPolarHBondContact O-CG 3.38Å; D147-R151 PolarHBondContact O-N 2.87Å; D147-R151 IonicContact OD1-CZ 2.97Å; D147-R151 IonicContact OD1-NE 3.03Å; D147-R151 IonicContact OD1-NH1 3.86Å; D147-R151 PolarHBondContact OD1-NH1 3.26Å; D147-R151 IonicContact OD1-NH2 2.71Å; D147-R151 PolarHBondContact OD1-NH2 3.37Å; D147-R151 IonicContact OD2-CZ 3.55Å; D147-R151 IonicContact OD2-NH1 3.61Å; D147-R151 PolarHBondContact OD2-NH1 3.44Å; D147-R151 IonicContact OD2-NH2 3.23Å; D147-R151 PolarHBondContact OD2-NH2 3.49Å; R151-R155 WeakPolarHBondContact O-CG 3.17Å; R151-R155 PolarHBondContact O-N 2.93Å; R151-R155 VanDerWaalsContact O-N 3.17Å
152H82.9Confident77.7Confident122 Ų12293.8 Ų93.857%0.56547%0.471SS*.Hα-helixtrans-60.9-50.8173.9179.1-82.5000110.6K148 I149 V150 L154 R155 T156K148-H152 WeakPolarHBondContact O-CB 3.44Å; K148-H152 PolarHBondContact O-N 3.1Å; I149-H152 PolarHBondContact O-N 2.94Å; V150-H152 VanDerWaalsContact C-N 3.33Å; V150-H152 PolarHBondContact O-N 3.37Å; H152-L154 VanDerWaalsContact C-N 3.31Å; H152-L154 PolarHBondContact O-N 3.08Å; H152-R155 PolarHBondContact O-N 3.31Å; H152-T156 PolarHBondContact O-N 3.49Å; H152-T156 PolarHBondContact O-OG1 3.31Å
153R81.9Confident76.2Confident143 Ų14394.2 Ų94.254%0.5447%0.471SS..Hα-helixtrans-56.8-42.9178.1-74.1178.3-177.8177.80.4112.7I149 V150 R155 T156 S157I149-R153 HydrophobicContact CG2-CG 4.48Å; I149-R153 WeakPolarHBondContact O-CG 3.05Å; I149-R153 PolarHBondContact O-N 3.47Å; V150-R153 PolarHBondContact O-N 2.75Å; R153-R155 VanDerWaalsContact C-N 3.3Å; R153-R155 PolarHBondContact O-N 3.38Å; R153-T156 WeakPolarHBondContact CA-OG1 3.37Å; R153-T156 PolarHBondContact O-N 3.42Å; R153-T156 PolarHBondContact O-OG1 2.91Å; R153-S157 VanDerWaalsContact O-CB 3.23Å; R153-S157 WeakPolarHBondContact O-CB 3.33Å; R153-S157 PolarHBondContact O-N 3.18Å; R153-S157 PolarHBondContact O-OG 3.05Å
154L76.3Confident75.2Confident73 Ų7397.7 Ų97.738%0.38249%0.494SS..Hα-helixtrans-60.7-36.4176.2-77.6168.6000113.1V150 H152 S157 Q163V150-L154 HydrophobicContact CG1-CD1 3.97Å; V150-L154 HydrophobicContact CG1-CG 4.44Å; V150-L154 WeakPolarHBondContact O-CB 3.39Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.49Å; H152-L154 VanDerWaalsContact C-N 3.31Å; H152-L154 PolarHBondContact O-N 3.08Å; L154-S157 PolarHBondContact O-OG 3.43Å; L154-Q163 HydrophobicContact CD2-CB 4.49Å; L154-Q163 HydrophobicContact CD2-CG 3.94Å
155R76.4Confident74.2Confident225 Ų225102.1 Ų102.185%0.84952%0.519SS*.Hα-helixtrans-76.8-33.2178.4-69.3173.971.887.5-0.2112.5R151 H152 R153R151-R155 WeakPolarHBondContact O-CG 3.17Å; R151-R155 PolarHBondContact O-N 2.93Å; R151-R155 VanDerWaalsContact O-N 3.17Å; H152-R155 PolarHBondContact O-N 3.31Å; R153-R155 VanDerWaalsContact C-N 3.3Å; R153-R155 PolarHBondContact O-N 3.38Å
156T78Confident73.2Confident91 Ų91105.9 Ų105.956%0.55853%0.531SS*.Hα-helixtrans-88.1-21.5-179.655.90000113.3H152 R153 S158H152-T156 PolarHBondContact O-N 3.49Å; H152-T156 PolarHBondContact O-OG1 3.31Å; R153-T156 WeakPolarHBondContact CA-OG1 3.37Å; R153-T156 PolarHBondContact O-N 3.42Å; R153-T156 PolarHBondContact O-OG1 2.91Å; T156-S158 PolarHBondContact O-N 3.26Å
157S72.7Confident72.3Confident46 Ų46106.9 Ų106.932%0.32253%0.534SS..  trans-76.4113.3175.860.10000109.4R153 L154 S159R153-S157 VanDerWaalsContact O-CB 3.23Å; R153-S157 WeakPolarHBondContact O-CB 3.33Å; R153-S157 PolarHBondContact O-N 3.18Å; R153-S157 PolarHBondContact O-OG 3.05Å; L154-S157 PolarHBondContact O-OG 3.43Å; S157-S159 PolarHBondContact O-N 3.32Å
158S60.1Low71.4Confident122 Ų122112.6 Ų112.685%0.85356%0.561SS**SBendtrans-61.8-6.2172.633.80000114.1T156 V160T156-S158 PolarHBondContact O-N 3.26Å; S158-V160 PolarHBondContact O-N 3.01Å
159S59.6Low70.5Confident68 Ų68115 Ų11548%0.47658%0.575SS.*  trans-86.983.1168.5-172.70000110.2S157 N161S157-S159 PolarHBondContact O-N 3.32Å; S159-N161 PolarHBondContact O-N 3.48Å
160V58Low69.7Low122 Ų122116 Ų11674%0.73958%0.581SS**THydrogen-bonded Turntrans-61.5-2.9-179.3-710000115.1S158S158-V160 PolarHBondContact O-N 3.01Å
161N56.4Low69Low145 Ų145117.2 Ų117.278%0.77558%0.581SS**THydrogen-bonded Turntrans-133.19.8-165.6-69.3-27.6000116.7S159S159-N161 PolarHBondContact O-N 3.48Å
162S60.4Low68.5Low79 Ų79115.2 Ų115.255%0.55258%0.582SS**  trans-92-10.3-168.864.90000116.6
163Q62.6Low67.5Low72 Ų72109.8 Ų109.834%0.33656%0.558SS.*SBendtrans-97.4125.9178-71.3-91.6-58.700110L154 L165L154-Q163 HydrophobicContact CD2-CB 4.49Å; L154-Q163 HydrophobicContact CD2-CG 3.94Å; Q163-L165 PolarHBondContact O-N 3.48Å
164P69.5Low67Low85 Ų85103.3 Ų103.355%0.55254%0.536SS*.  trans-55.9127.2175.5-23.431.6000110.3R166 R167 Q168P164-R166 PolarHBondContact O-N 2.61Å; P164-R167 WeakPolarHBondContact O-CA 3.35Å; P164-R167 VanDerWaalsContact O-CB 3.32Å; P164-R167 WeakPolarHBondContact O-CB 3.12Å; P164-R167 PolarHBondContact O-N 2.97Å; P164-Q168 PolarHBondContact O-N 3.36Å
165L68.9Low66.9Low130 Ų130104.8 Ų104.868%0.68154%0.541SS*.Hα-helixtrans-47.5-37.6177.8-74.5166.5000112.1Q163 R167 Q168 M169Q163-L165 PolarHBondContact O-N 3.48Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 3.13Å; L165-Q168 WeakPolarHBondContact O-CB 3.48Å; L165-Q168 PolarHBondContact O-N 3.03Å; L165-Q168 VanDerWaalsContact O-N 3.09Å; L165-M169 WeakPolarHBondContact O-CG 3.32Å; L165-M169 PolarHBondContact O-N 3.15Å
166R70Confident67.1Low193 Ų19395.2 Ų95.273%0.72851%0.507SS*.Hα-helixtrans-55-43.5174.7-173.7-179.2-177.5115.70.8112.6P164 Q168 M169 L170P164-R166 PolarHBondContact O-N 2.61Å; R166-Q168 VanDerWaalsContact C-N 3.32Å; R166-M169 PolarHBondContact O-N 3.39Å; R166-L170 HydrophobicContact CG-CD1 3.71Å; R166-L170 HydrophobicContact CG-CG 4.31Å; R166-L170 WeakPolarHBondContact O-CB 3.08Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 2.95Å
167R69.4Low67.3Low154 Ų15492.3 Ų92.358%0.58149%0.486SS*.Hα-helixtrans-66-38.6178.6-170.4177.5-176.9-1805.2110.9P164 L165 Y171P164-R167 WeakPolarHBondContact O-CA 3.35Å; P164-R167 VanDerWaalsContact O-CB 3.32Å; P164-R167 WeakPolarHBondContact O-CB 3.12Å; P164-R167 PolarHBondContact O-N 2.97Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 3.13Å; R167-Y171 WeakPolarHBondContact O-CB 3.47Å; R167-Y171 PolarHBondContact O-N 2.92Å
168Q65.7Low67.8Low125 Ų12594.7 Ų94.758%0.58449%0.488SS*.Hα-helixtrans-66.7-44.6176.3-173.1175.2-400111.8P164 L165 R166 Y171P164-Q168 PolarHBondContact O-N 3.36Å; L165-Q168 WeakPolarHBondContact O-CB 3.48Å; L165-Q168 PolarHBondContact O-N 3.03Å; L165-Q168 VanDerWaalsContact O-N 3.09Å; R166-Q168 VanDerWaalsContact C-N 3.32Å; Q168-Y171 PolarHBondContact O-N 2.9Å
169M65.7Low68.5Low159 Ų15989.9 Ų89.978%0.78345%0.454SS*.Hα-helixtrans-67.8-35.4179.7-68.8-179.379.400113.3L165 R166 Y171L165-M169 WeakPolarHBondContact O-CG 3.32Å; L165-M169 PolarHBondContact O-N 3.15Å; R166-M169 PolarHBondContact O-N 3.39Å; M169-Y171 VanDerWaalsContact C-N 3.29Å; M169-Y171 PolarHBondContact O-N 3.36Å
170L68.9Low68.9Low112 Ų11288.4 Ų88.459%0.58644%0.443SS*.THydrogen-bonded Turntrans-83.5-4.8-179.3-64.3177.4000113.3R166 T172R166-L170 HydrophobicContact CG-CD1 3.71Å; R166-L170 HydrophobicContact CG-CG 4.31Å; R166-L170 WeakPolarHBondContact O-CB 3.08Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 2.95Å; L170-T172 PolarHBondContact O-N 3.28Å
171Y66.8Low69.1Low79 Ų7988.6 Ų88.631%0.3144%0.439SS..  trans-77.396-177.3-163.7-86.1000111.4D147 R167 Q168 M169D147-Y171 WeakPolarHBondContact CA-OH 3.41Å; D147-Y171 HydrophobicContact CB-CE1 3.58Å; D147-Y171 PolarHBondContact N-OH 2.78Å; D147-Y171 WeakPolarHBondContact OD1-CE1 3.47Å; R167-Y171 WeakPolarHBondContact O-CB 3.47Å; R167-Y171 PolarHBondContact O-N 2.92Å; Q168-Y171 PolarHBondContact O-N 2.9Å; M169-Y171 VanDerWaalsContact C-N 3.29Å; M169-Y171 PolarHBondContact O-N 3.36Å
172T67.3Low69.1Low75 Ų7589.3 Ų89.346%0.4644%0.443SS..  trans-94.7-5.1-178.853.80000114.1L170 G174 Q175 N176L170-T172 PolarHBondContact O-N 3.28Å; T172-G174 PolarHBondContact O-N 2.71Å; T172-Q175 PolarHBondContact O-N 3.07Å; T172-Q175 VanDerWaalsContact O-N 3.15Å; T172-N176 PolarHBondContact O-ND2 3.16Å
173G63.5Low69.1Low7 Ų792.7 Ų92.77%0.07244%0.443CS..Hα-helixtrans-56.6-46-167.100000114.2Q175G173-Q175 VanDerWaalsContact C-N 3.31Å; G173-Q175 PolarHBondContact O-N 2.92Å
174G70.2Confident68.9Low7 Ų793.2 Ų93.27%0.07244%0.442CS..Hα-helixtrans-66.9-28.2-178.700000115.3D147 T172 N176 F177D147-G174 WeakPolarHBondContact OD2-CA 3.23Å; T172-G174 PolarHBondContact O-N 2.71Å; G174-N176 VanDerWaalsContact C-N 3.26Å; G174-N176 PolarHBondContact O-N 3.06Å; G174-F177 PolarHBondContact O-N 3.18Å
175Q75.5Confident68.5Low104 Ų10499.7 Ų99.749%0.48646%0.462SS..Hα-helixtrans-76.1-15.1-173.3-56.8-174.915.500112.8T172 G173 R178T172-Q175 PolarHBondContact O-N 3.07Å; T172-Q175 VanDerWaalsContact O-N 3.15Å; G173-Q175 VanDerWaalsContact C-N 3.31Å; G173-Q175 PolarHBondContact O-N 2.92Å; Q175-R178 CarbonylContact C-O 3.58Å
176N79.6Confident67.9Low24 Ų2498.5 Ų98.513%0.12846%0.464CS..Hα-helixtrans-78.6-32.5178.1-64.2-57.1000112.2R65 S66 A140 T172 G174R65-N176 HydrophobicContact CG-CB 4.31Å; R65-N176 PolarHBondContact NE-ND2 3.15Å; S66-N176 WeakPolarHBondContact CA-O 3.33Å; S66-N176 WeakPolarHBondContact CB-O 3.33Å; A140-N176 HydrophobicContact CB-CB 4.27Å; T172-N176 PolarHBondContact O-ND2 3.16Å; G174-N176 VanDerWaalsContact C-N 3.26Å; G174-N176 PolarHBondContact O-N 3.06Å
177F82.9Confident67.2Low30 Ų3091.7 Ų91.713%0.13245%0.449CS..Hα-helixtrans-82.4-45.2-178.2-170.9-112000112.3H83 A140 L141 Y144 G174H83-F177 HydrophobicContact CB-CD1 3.95Å; H83-F177 HydrophobicContact CB-CD2 4.44Å; H83-F177 HydrophobicContact CB-CE1 3.61Å; H83-F177 HydrophobicContact CB-CE2 4.13Å; H83-F177 HydrophobicContact CB-CG 4.34Å; H83-F177 HydrophobicContact CB-CZ 3.7Å; H83-F177 VanDerWaalsContact CB-O 3.28Å; H83-F177 WeakPolarHBondContact CB-O 3.1Å; H83-F177 PolarHBondContact N-O 3Å; H83-F177 VanDerWaalsContact N-O 3.15Å; H83-F177 PolarHBondContact ND1-O 2.82Å; A140-F177 HydrophobicContact CB-CB 4.45Å; A140-F177 HydrophobicContact CB-CD2 4.35Å; L141-F177 HydrophobicContact CB-CD2 4.35Å; L141-F177 HydrophobicContact CB-CE2 4.15Å; L141-F177 HydrophobicContact CD1-CD2 4.5Å; L141-F177 HydrophobicContact CD1-CE1 4.34Å; L141-F177 HydrophobicContact CD1-CE2 3.86Å; L141-F177 HydrophobicContact CD1-CZ 3.77Å; Y144-F177 AromaticContact CD1-CD1 3.59Å; Y144-F177 HydrophobicContact CD1-CD1 3.59Å; Y144-F177 AromaticContact CD1-CE1 3.9Å; Y144-F177 HydrophobicContact CD1-CE1 3.9Å; Y144-F177 HydrophobicContact CD1-CG 4.39Å; Y144-F177 HydrophobicContact CD2-CB 4.11Å; Y144-F177 AromaticContact CD2-CD1 3.77Å; Y144-F177 HydrophobicContact CD2-CD1 3.77Å; Y144-F177 HydrophobicContact CD2-CG 4.35Å; Y144-F177 HydrophobicContact CE1-CD1 4.03Å; Y144-F177 HydrophobicContact CE1-CE1 4.11Å; Y144-F177 HydrophobicContact CE2-CD1 4.19Å; Y144-F177 HydrophobicContact CG-CB 3.97Å; Y144-F177 AromaticContact CG-CD1 3.44Å; Y144-F177 HydrophobicContact CG-CD1 3.44Å; Y144-F177 VanDerWaalsContact CG-CD1 3.44Å; Y144-F177 HydrophobicContact CG-CE1 4.23Å; Y144-F177 AromaticContact CG-CG 3.94Å; Y144-F177 HydrophobicContact CG-CG 3.94Å; G174-F177 PolarHBondContact O-N 3.18Å
178R81.7Confident66.6Low97 Ų9789.5 Ų89.537%0.36646%0.455SS..SBendtrans-117.3140.6178.1-72.1-179.4179.9-126.7-3.2109.8H83 Y144 Q175H83-R178 HydrophobicContact CB-CG 4.19Å; Y144-R178 HydrophobicContact CE2-CG 4.28Å; Y144-R178 PolarHBondContact OH-NE 2.99Å; Y144-R178 VanDerWaalsContact OH-NE 3.11Å; Q175-R178 CarbonylContact C-O 3.58Å
179P75.4Confident66.5Low20 Ų2091.9 Ų91.913%0.1346%0.463CS..  trans-52.4145.5171.7-7.46.2000110.8W81 H83 R183W81-P179 HydrophobicContact CD2-CB 3.97Å; W81-P179 HydrophobicContact CD2-CG 3.54Å; W81-P179 HydrophobicContact CE3-CB 4.08Å; W81-P179 HydrophobicContact CE3-CG 3.93Å; W81-P179 HydrophobicContact CG-CG 3.84Å; W81-P179 HydrophobicContact CH2-CB 3.82Å; W81-P179 HydrophobicContact CH2-CG 4.47Å; W81-P179 HydrophobicContact CZ2-CB 3.71Å; W81-P179 HydrophobicContact CZ2-CG 4.13Å; W81-P179 HydrophobicContact CZ3-CB 4Å; W81-P179 HydrophobicContact CZ3-CG 4.37Å; H83-P179 WeakPolarHBondContact CE1-CD 3.49Å; P179-R183 HydrophobicContact CB-CB 4.41Å
180P69Low66.4Low38 Ų3892.3 Ų92.325%0.24747%0.468CS..  trans-47.3141.8168.9-27.535000110.9D182 R183P180-D182 PolarHBondContact O-N 3.32Å; P180-D182 VanDerWaalsContact O-N 3.13Å; P180-R183 PolarHBondContact O-N 3.42Å
181L62.4Low66.4Low125 Ų12596 Ų9665%0.65448%0.475SS*.G310 helixtrans-54.8-34.7-175.7-71.3174.9000111.7R183 R184L181-R183 PolarHBondContact O-N 3.26Å; L181-R184 WeakPolarHBondContact O-CB 3.32Å; L181-R184 PolarHBondContact O-N 3.01Å
182D56.6Low66.9Low160 Ų16097.8 Ų97.886%0.85650%0.5SS*.G310 helixtrans-60.1-19.9178.3-48.2-36.1000114.4P180P180-D182 PolarHBondContact O-N 3.32Å; P180-D182 VanDerWaalsContact O-N 3.13Å
183R60Low67.1Low150 Ų150101.8 Ų101.857%0.56652%0.517SS*.G310 helixtrans-92.7-6.2177.3-66.4-171.2180-175.90.4113.4E79 P179 P180 L181 K185E79-R183 IonicContact OE2-NH1 3.98Å; E79-R183 PolarHBondContact OE2-NH1 2.83Å; E79-R183 VanDerWaalsContact OE2-NH1 3.08Å; P179-R183 HydrophobicContact CB-CB 4.41Å; P180-R183 PolarHBondContact O-N 3.42Å; L181-R183 PolarHBondContact O-N 3.26Å; R183-K185 PolarHBondContact O-N 3.06Å
184R58.9Low67.6Low84 Ų84110.3 Ų110.332%0.31756%0.555SS.*  trans-76.3116.1178-66.9-172.9171.1-137.5-12.1108.5L181 S186 A187L181-R184 WeakPolarHBondContact O-CB 3.32Å; L181-R184 PolarHBondContact O-N 3.01Å; R184-S186 PolarHBondContact O-N 3.34Å; R184-A187 HydrophobicContact CB-CB 4.44Å; R184-A187 PolarHBondContact O-N 3.45Å
185K59.2Low67.7Low221 Ų221118.6 Ų118.696%0.96159%0.592SS**THydrogen-bonded Turntrans-55.1-15.7176.4-64.1-170.8176.2-159.30114.1R183R183-K185 PolarHBondContact O-N 3.06Å
186S56.3Low67.1Low105 Ų105118.8 Ų118.873%0.73460%0.604SS**THydrogen-bonded Turntrans-97.8-5.5-177.849.70000114.7R184R184-S186 PolarHBondContact O-N 3.34Å
187A57.4Low66.4Low50 Ų50125.5 Ų125.541%0.41364%0.638SS.*SBendtrans-99.9117.5177.400000109.5R184R184-A187 HydrophobicContact CB-CB 4.44Å; R184-A187 PolarHBondContact O-N 3.45Å
188P55Low65.3Low107 Ų107132.8 Ų132.870%0.69567%0.673SS**  trans-55142.2169-20.331.5000110L190P188-L190 PolarHBondContact O-N 3.17Å
189K63.4Low64Low175 Ų175135.8 Ų135.876%0.76169%0.691SS**  trans-62.5108.2171.5-72.6179.2-178.7174.80107.5Y191K189-Y191 HydrophobicContact CB-CE2 4.28Å; K189-Y191 WeakPolarHBondContact O-CD2 3.45Å; K189-Y191 PolarHBondContact O-N 3.07Å
190L63.8Low62.6Low169 Ų169142.4 Ų142.489%0.88573%0.725SS**PPolyproline II helixtrans-69.6119.7173.4-61.1176.7000107.8P188P188-L190 PolarHBondContact O-N 3.17Å
191Y68.8Low61.4Low188 Ų188148.5 Ų148.574%0.73775%0.75SS**PPolyproline II helixtrans-86.3160.9167.5-69.3-90.5000109K189 I193K189-Y191 HydrophobicContact CB-CE2 4.28Å; K189-Y191 WeakPolarHBondContact O-CD2 3.45Å; K189-Y191 PolarHBondContact O-N 3.07Å; Y191-I193 PolarHBondContact O-N 2.91Å
192S78.2Confident60.3Low118 Ų118151 Ų15183%0.82576%0.758SS**PPolyproline II helixtrans-58.3128173.647.60000109.7E194S192-E194 PolarHBondContact O-N 3.39Å
193I71.1Confident59.6Low159 Ų159149.1 Ų149.182%0.81575%0.753SS**PPolyproline II helixtrans-76.2121.9168.9-58.5171.6000105.9Y191 E195Y191-I193 PolarHBondContact O-N 2.91Å; I193-E195 PolarHBondContact O-N 3.09Å
194E73.8Confident58.8Low185 Ų185148 Ų14886%0.86476%0.759SS**PPolyproline II helixtrans-74.8117.7169.4-169.8164.9-161.400107.1S192 S196S192-E194 PolarHBondContact O-N 3.39Å; E194-S196 PolarHBondContact O-N 3.38Å; E194-S196 VanDerWaalsContact O-N 3.16Å
195E72.3Confident58.3Low182 Ų182147.4 Ų147.485%0.8577%0.771SS**  trans-67.8109.8173.7-70.5174.4-156.300107.4I193 I197I193-E195 PolarHBondContact O-N 3.09Å; E195-I197 PolarHBondContact O-N 3.35Å
196S64.3Low57.8Low107 Ų107143.2 Ų143.275%0.74876%0.759SS**  trans-67.8113.9165.953.60000107.5E194 E198E194-S196 PolarHBondContact O-N 3.38Å; E194-S196 VanDerWaalsContact O-N 3.16Å; S196-E198 PolarHBondContact O-N 3.32Å; S196-E198 VanDerWaalsContact O-N 3.14Å
197I63.2Low57.6Low165 Ų165143.6 Ų143.685%0.84675%0.752SS**PPolyproline II helixtrans-51.4117.6162.710.6172.9000107.2E195 E199E195-I197 PolarHBondContact O-N 3.35Å; I197-E199 PolarHBondContact O-N 2.77Å
198E60.2Low57.6Low183 Ų183145.7 Ų145.786%0.85576%0.759SS**PPolyproline II helixtrans-53.7121.6171.3-68.6176167.800107.5S196 D200S196-E198 PolarHBondContact O-N 3.32Å; S196-E198 VanDerWaalsContact O-N 3.14Å; E198-D200 PolarHBondContact O-N 3.46Å
199E54.3Low57.5Low161 Ų161145 Ų14575%0.75275%0.75SS**PPolyproline II helixtrans-62.8121167.3-73.5-179.6163.200106.9I197 H201I197-E199 PolarHBondContact O-N 2.77Å; E199-H201 VanDerWaalsContact C-N 3.32Å; E199-H201 PolarHBondContact O-N 3.01Å
200D45.6Very low57.2Low159 Ų159143.8 Ų143.885%0.8575%0.747SS**  trans-51.595.1172.9-77.3-43.6000109.3E198 Q202E198-D200 PolarHBondContact O-N 3.46Å; D200-Q202 PolarHBondContact O-N 3.5Å
201H43.7Very low56.9Low166 Ų166140.2 Ų140.277%0.76973%0.732SS**  trans-71.887.2164.7-75.8-42.9000107.9E199 T203E199-H201 VanDerWaalsContact C-N 3.32Å; E199-H201 PolarHBondContact O-N 3.01Å; H201-T203 PolarHBondContact O-N 2.86Å
202Q41.2Very low56.3Low176 Ų176136.4 Ų136.482%0.82272%0.724SS**  trans-35.189.6155.6-16992.242.800112D200D200-Q202 PolarHBondContact O-N 3.5Å
203T41.6Very low55.1Low121 Ų121136 Ų13674%0.74271%0.712SS**  trans16477.2150.447.80000111.7H201H201-T203 PolarHBondContact O-N 2.86Å
204D43.2Very low54.3Low128 Ų128133.7 Ų133.768%0.68471%0.709SS**  trans-140.316.4165.2-83.5-37.6000112.5D206D204-D206 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 3.24Å
205A47.7Very low53.5Low70 Ų70131.4 Ų131.458%0.57970%0.702SS**SBendtrans-82.2-5.9-179.100000114.4
206D48Very low52.5Low134 Ų134128.2 Ų128.272%0.71770%0.695SS**SBendtrans-97.7-15.8-175.6-67.1-26.5000113.3D204D204-D206 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 3.24Å
207I53.2Low51.9Low112 Ų112131.8 Ų131.857%0.57470%0.7SS**Hα-helixtrans-83.9-22.4-175.6-56.5173.2000111.8
208T57.5Low51.2Low94 Ų94132.1 Ų132.158%0.57770%0.698SS**Hα-helixtrans-87.2-25.5-176.453.60000113.6L212T208-L212 WeakPolarHBondContact O-CB 3.19Å; T208-L212 PolarHBondContact O-N 2.99Å
209N53.5Low50.6Low92 Ų92132.6 Ų132.649%0.49270%0.7SS.*Hα-helixtrans-80.8-29.7178-77.4-59.3000112.9N213N209-N213 VanDerWaalsContact O-CB 3.3Å; N209-N213 WeakPolarHBondContact O-CB 3.36Å; N209-N213 PolarHBondContact O-N 3.33Å; N209-N213 PolarHBondContact O-ND2 3.05Å
210E55.8Low50.2Low151 Ų151133.8 Ų133.871%0.70671%0.706SS**Hα-helixtrans-74.3-32.7178.9-155.3169.5-164.700112
211V57.5Low50.2Low94 Ų94134.9 Ų134.957%0.5771%0.705SS**Hα-helixtrans-81.4-30.5175.2-178.60000112.2
212L56.4Low50.3Low107 Ų107131.4 Ų131.456%0.5671%0.705SS**Hα-helixtrans-78.2-30.9178.7-161.371.3000112.4T208 C214 L215 V216T208-L212 WeakPolarHBondContact O-CB 3.19Å; T208-L212 PolarHBondContact O-N 2.99Å; L212-C214 VanDerWaalsContact C-N 3.31Å; L212-C214 PolarHBondContact O-N 3.27Å; L212-L215 PolarHBondContact O-N 2.97Å; L212-V216 WeakPolarHBondContact O-CG2 3.43Å
213N54.1Low50.3Low110 Ų110130.4 Ų130.459%0.58871%0.706SS**G310 helixtrans-74-17.6175.9-74.3-17.7000113.7N209 L215N209-N213 VanDerWaalsContact O-CB 3.3Å; N209-N213 WeakPolarHBondContact O-CB 3.36Å; N209-N213 PolarHBondContact O-N 3.33Å; N209-N213 PolarHBondContact O-ND2 3.05Å; N213-L215 VanDerWaalsContact C-N 3.34Å
214C54Low50.7Low111 Ų111132.8 Ų132.875%0.7571%0.712SS**G310 helixtrans-81.9-6.4174-77.20000114.5L212L212-C214 VanDerWaalsContact C-N 3.31Å; L212-C214 PolarHBondContact O-N 3.27Å
215L56.5Low50.6Low137 Ų137131.4 Ų131.472%0.71771%0.712SS**G310 helixtrans-110.76.9-175-72167.3000113.7L212 N213L212-L215 PolarHBondContact O-N 2.97Å; N213-L215 VanDerWaalsContact C-N 3.34Å
216V51.8Low50.4Low114 Ų114135.2 Ų135.269%0.69172%0.723SS**SBendtrans-118.53.5-170.5-174.90000112.8L212L212-V216 WeakPolarHBondContact O-CG2 3.43Å
217E50Low50.4Low182 Ų182132.4 Ų132.485%0.8571%0.714SS**SBendtrans-100.37-178.4-66.8-163.8158.800115.5
218E48.5Very low50.2Low173 Ų173132.9 Ų132.981%0.80872%0.717SS**SBendtrans-132.5134.3178.1-64.2-175162.400110.9
219E47.9Very low50.1Low193 Ų193138.8 Ų138.890%0.90273%0.73SS**  trans103.576.3165.3-52.3-173.3170.700117.2
220E46.3Very low49.8Very low186 Ų186137.9 Ų137.987%0.86974%0.743SS**  trans-68.5146.1153.4-80.9179.815300112.6
221E46.6Very low49.2Very low181 Ų181138.9 Ų138.985%0.84675%0.753SS**  trans80.5114.2149.5-73.9-165.117500122.4
222A45.6Very low48.6Very low93 Ų93137.3 Ų137.377%0.76976%0.756SS**  117.3110120.500000117.7
223D39.5Very low48.2Very low156 Ų156137.9 Ų137.983%0.83477%0.766SS**  trans-49.5143.5160.8-76.1-49.8000113.3
224I50Low47.8Very low171 Ų171137.8 Ų137.888%0.87777%0.774SS**  trans-157131.1139.2-86.7130.7000109.2
225S41.9Very low47.4Very low98 Ų98136.9 Ų136.969%0.68577%0.769SS**  trans-76.8168.5178.154.80000114.9
226D44.5Very low47Very low151 Ų151137.1 Ų137.181%0.80777%0.771SS**  trans79.3140.8150-137.251.2000114.4
227S46.2Very low46.6Very low74 Ų74137.4 Ų137.452%0.51777%0.773SS.*  cis-178178.9-11.747.60000106.1
228L50.9Low46.1Very low122 Ų122135.2 Ų135.264%0.63977%0.767SS**  trans87.8121.3153.5-93.970.5000122.3
229Y54.8Low45.9Very low218 Ų218133.5 Ų133.586%0.85576%0.763SS**  trans58.2143145.6-53.2-53.5000118.6
230G46.4Very low45.8Very low74 Ų74132.2 Ų132.276%0.76376%0.755SS**  cis-177.1-179.410.600000102.9
231D43.3Very low45.8Very low171 Ų171131.2 Ų131.291%0.91476%0.756SS**  cis-167166.113.2-152.6-9.4000104.5
232G44.4Very low45.9Very low62 Ų62130.3 Ų130.364%0.63976%0.756SS**  trans-68.6-153.5-174.100000115.8
233P49.3Very low46.4Very low118 Ų118129.1 Ų129.177%0.76674%0.739SS**  cis-149.1177.217.240.3-17.6000117.1
234S46.2Very low47.3Very low108 Ų108127 Ų12776%0.75573%0.732SS**  trans41.2149.1134.669.20000120.5
235S44.7Very low47.8Very low93 Ų93127.3 Ų127.365%0.6573%0.729SS**  cis167.3170.310162.10000104.9
236L48.5Very low48.6Very low142 Ų142130 Ų13074%0.74373%0.731SS**  trans96105164.4-51.5174.3000114.8
237T42.7Very low49.2Very low120 Ų120127.1 Ų127.174%0.73671%0.712SS**  53.513678.568.90000111.6
238D40.3Very low49.8Very low136 Ų136127.1 Ų127.173%0.72771%0.706SS**  cis-167.5172.17.4-143.9-17.1000104.9
239D43.4Very low50.4Low136 Ų136123.7 Ų123.773%0.72770%0.695SS**  trans72.9159.3159.5-64-49.4000120.9
240F46.2Very low50.9Low166 Ų166121.3 Ų121.373%0.72869%0.689SS**  trans108.457.8172.4-65.8-83.6000118.6L242 T243F240-L242 PolarHBondContact O-N 3.2Å; F240-T243 HydrophobicContact CD1-CG2 4.16Å
241D45.5Very low51.5Low166 Ų166126.7 Ų126.789%0.88869%0.687SS**SBendtrans-81.382.1145.5-166.916.9000108.1
242L49.2Very low52.2Low162 Ų162123.5 Ų123.585%0.84867%0.669SS**SBendtrans177.448.3170.9-97.3172.8000112.8F240F240-L242 PolarHBondContact O-N 3.2Å
243T56.5Low52.6Low68 Ų68128.9 Ų128.942%0.41768%0.677SS.*  trans-143.3-10-175.555.10000118.3F240 E245 H246 E247F240-T243 HydrophobicContact CD1-CG2 4.16Å; T243-E245 VanDerWaalsContact C-N 3.31Å; T243-E245 PolarHBondContact O-N 3.01Å; T243-H246 PolarHBondContact O-N 3.34Å; T243-E247 WeakPolarHBondContact O-CB 3.35Å; T243-E247 PolarHBondContact O-N 3.24Å
244V58.8Low52.5Low112 Ų112129.3 Ų129.368%0.67967%0.672SS**Hα-helixtrans-63.5-33.6-172.3-176.80000113.4L248V244-L248 HydrophobicContact CG1-CD1 4.24Å; V244-L248 WeakPolarHBondContact O-CB 3.34Å; V244-L248 PolarHBondContact O-N 3.16Å; V244-L248 VanDerWaalsContact O-N 3.14Å
245E60Low52.6Low176 Ų176134.5 Ų134.582%0.82268%0.675SS**Hα-helixtrans-75.5-33.5179.7-132.1167.9-172.600112.3T243 A249T243-E245 VanDerWaalsContact C-N 3.31Å; T243-E245 PolarHBondContact O-N 3.01Å; E245-A249 PolarHBondContact O-N 3.14Å; E245-A249 VanDerWaalsContact O-N 3.13Å
246H59.3Low52.6Low155 Ų155135.2 Ų135.272%0.71868%0.678SS**Hα-helixtrans-76-37.4177.7-136156.2000111.3T243 A249 K250T243-H246 PolarHBondContact O-N 3.34Å; H246-A249 PolarHBondContact O-N 3.32Å; H246-K250 WeakPolarHBondContact O-CB 3.37Å; H246-K250 PolarHBondContact O-N 3.22Å; H246-K250 VanDerWaalsContact O-N 3.11Å
247E57.1Low52.2Low91 Ų91134.1 Ų134.143%0.42568%0.682SS.*Hα-helixtrans-64.9-39173.9-168.978-165.500111.3T243 K250 R251T243-E247 WeakPolarHBondContact O-CB 3.35Å; T243-E247 PolarHBondContact O-N 3.24Å; E247-K250 PolarHBondContact O-N 3.25Å; E247-R251 WeakPolarHBondContact O-CG 3.17Å; E247-R251 PolarHBondContact O-N 3.19Å; E247-R251 IonicContact OE1-CZ 3.63Å; E247-R251 IonicContact OE1-NE 3.73Å; E247-R251 PolarHBondContact OE1-NE 3.45Å; E247-R251 IonicContact OE1-NH2 2.75Å; E247-R251 PolarHBondContact OE1-NH2 3.5Å
248L58Low52.2Low74 Ų74133.1 Ų133.139%0.38768%0.68SS.*Hα-helixtrans-68.8-39.6175.8-91.7163.1000113.1V244 K250 R251 L252V244-L248 HydrophobicContact CG1-CD1 4.24Å; V244-L248 WeakPolarHBondContact O-CB 3.34Å; V244-L248 PolarHBondContact O-N 3.16Å; V244-L248 VanDerWaalsContact O-N 3.14Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.77Å; L248-R251 PolarHBondContact O-N 3.46Å; L248-L252 HydrophobicContact CD2-CD1 4.35Å; L248-L252 WeakPolarHBondContact O-CB 3.3Å; L248-L252 PolarHBondContact O-N 3.42Å; L248-L252 VanDerWaalsContact O-N 3.16Å
249A64.3Low52.3Low49 Ų49133.6 Ų133.641%0.40569%0.688SS.*Hα-helixtrans-63.5-36.9174.700000111.6E245 H246E245-A249 PolarHBondContact O-N 3.14Å; E245-A249 VanDerWaalsContact O-N 3.13Å; H246-A249 PolarHBondContact O-N 3.32Å
250K64.9Low52.1Low169 Ų169130.5 Ų130.574%0.73569%0.688SS**Hα-helixtrans-71.8-36.7178.2-148.6173.9-174.5-178.20112.7H246 E247 L248H246-K250 WeakPolarHBondContact O-CB 3.37Å; H246-K250 PolarHBondContact O-N 3.22Å; H246-K250 VanDerWaalsContact O-N 3.11Å; E247-K250 PolarHBondContact O-N 3.25Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.77Å
251R58.8Low51.8Low187 Ų187127.4 Ų127.471%0.70669%0.687SS**Hα-helixtrans-78.3-17.3178-72.2-172-171.4-173.34.2114.8E247 L248E247-R251 WeakPolarHBondContact O-CG 3.17Å; E247-R251 PolarHBondContact O-N 3.19Å; E247-R251 IonicContact OE1-CZ 3.63Å; E247-R251 IonicContact OE1-NE 3.73Å; E247-R251 PolarHBondContact OE1-NE 3.45Å; E247-R251 IonicContact OE1-NH2 2.75Å; E247-R251 PolarHBondContact OE1-NH2 3.5Å; L248-R251 PolarHBondContact O-N 3.46Å
252L58.8Low51.9Low104 Ų104128.4 Ų128.455%0.54569%0.687SS.*THydrogen-bonded Turntrans-97.33-178.8-84159.8000114.3L248 L254L248-L252 HydrophobicContact CD2-CD1 4.35Å; L248-L252 WeakPolarHBondContact O-CB 3.3Å; L248-L252 PolarHBondContact O-N 3.42Å; L248-L252 VanDerWaalsContact O-N 3.16Å; L252-L254 HydrophobicContact CB-CD1 3.77Å; L252-L254 HydrophobicContact CB-CG 3.88Å; L252-L254 HydrophobicContact CD1-CD1 4.28Å; L252-L254 PolarHBondContact O-N 3.06Å
253H51.4Low51.7Low175 Ų175124.9 Ų124.981%0.8168%0.681SS**THydrogen-bonded Turntrans46.929.7-175.8-69.9-72.1000113.7R255H253-R255 PolarHBondContact O-N 3.22Å; H253-R255 VanDerWaalsContact O-N 3.09Å
254L48Very low51.5Low127 Ų127129.5 Ų129.567%0.66570%0.703SS**  trans-83.596.8-178-71.3169.4000108.8L252L252-L254 HydrophobicContact CB-CD1 3.77Å; L252-L254 HydrophobicContact CB-CG 3.88Å; L252-L254 HydrophobicContact CD1-CD1 4.28Å; L252-L254 PolarHBondContact O-N 3.06Å
255R47.3Very low50.8Low216 Ų216130.9 Ų130.982%0.81571%0.712SS**  trans-59.4130.7171.7-168175.8172.3147.3-1.4109.7H253 S257H253-R255 PolarHBondContact O-N 3.22Å; H253-R255 VanDerWaalsContact O-N 3.09Å; R255-S257 PolarHBondContact O-N 3.49Å
256P44.7Very low50.6Low108 Ų108130.4 Ų130.470%0.70171%0.713SS**  trans-72.5123.5176.724.4-23.7000109.8
257S40.1Very low50.4Low120 Ų120127.9 Ų127.984%0.83971%0.713SS**  trans38.396.8156.555.10000117.6R255R255-S257 PolarHBondContact O-N 3.49Å
258S44Very low50Low99 Ų99131.3 Ų131.369%0.69273%0.734SS**  trans-127.5125.3148.760.80000109.6
259T42.9Very low50.1Low145 Ų145136.8 Ų136.889%0.8976%0.758SS**  trans-47.7139.9166.750.50000112
260G38.8Very low49Very low71 Ų71138.7 Ų138.773%0.73277%0.768SS**  trans137.5137164.100000112.6
261S39.8Very low48.4Very low102 Ų102134.6 Ų134.671%0.71377%0.774SS**  trans-44.7141.6176.250.90000113.8
262E48.1Very low47.7Very low187 Ų187135.1 Ų135.187%0.87478%0.777SS**  -177.9157.5116.1-93.1159.7-179.300110.2
263A43.6Very low47.4Very low88 Ų88137.3 Ų137.373%0.72779%0.788SS**  trans-86.6123.2-161.900000112T265A263-T265 PolarHBondContact O-N 2.91Å
264D52Low47.1Very low164 Ų164137 Ų13788%0.87779%0.787SS**  trans-97.793.5169-80.1-25.1000111I266D264-I266 PolarHBondContact O-N 2.86Å
265T45.7Very low46.9Very low141 Ų141140.1 Ų140.187%0.86580%0.798SS**  trans-51.3110.9152.98.40000110A263A263-T265 PolarHBondContact O-N 2.91Å
266I54.6Low47Very low166 Ų166139.2 Ų139.285%0.85180%0.803SS**  trans-101.4116.7161.6-158.4159.8000109.2D264D264-I266 PolarHBondContact O-N 2.86Å
267S55.3Low46.8Very low102 Ų102139.7 Ų139.771%0.71380%0.804SS**  trans-58.2129.2-174.9-171.40000112.8
268D48.9Very low47.2Very low163 Ų163141 Ų14187%0.87280%0.802SS**  trans-88.1107.7159.2-79.6-34.8000106.9S270D268-S270 PolarHBondContact O-N 3.25Å
269E60.1Low47.4Very low190 Ų190142.5 Ų142.589%0.88881%0.806SS**  trans-69.6120.5175.8-171.1169.297.900110.1
270S41.6Very low47.6Very low89 Ų89140.7 Ų140.762%0.62280%0.8SS**  trans-80.4137.9177.7510000112.1D268D268-S270 PolarHBondContact O-N 3.25Å
271G52.3Low48.5Very low83 Ų83142.9 Ų142.986%0.85680%0.801SS**  trans-112.7122.8160.100000110.2
272Y44.1Very low48.8Very low197 Ų197143.4 Ų143.477%0.77381%0.805SS**  trans-84.2177.5-176-91.6-101.7000113.8
273I51.6Low48.9Very low150 Ų150140.1 Ų140.177%0.76980%0.803SS**  trans112.692.1157.9-54.6156.6000112.7
274E46.8Very low49Very low169 Ų169139.5 Ų139.579%0.7980%0.797SS**  73.8101.286.1-69.3-177.3-174.800113.1
275E43Very low49Very low193 Ų193142 Ų14290%0.90279%0.794SS**  53.6108.897.7-85.4-163171.400115.5
276E49.9Very low49.1Very low197 Ų197143.3 Ų143.392%0.92179%0.788SS**  trans-159.2132.6137.6-114.4176-17500111.4
277T40.8Very low48.9Very low118 Ų118140.4 Ų140.472%0.72478%0.783SS**  trans-72.9151.3174.941.60000111.7
278D47.8Very low48.7Very low147 Ų147140.9 Ų140.979%0.78679%0.786SS**  -178.2126.9122.6-93-16.3000116.6
279V48.5Very low49Very low130 Ų130138.9 Ų138.979%0.78878%0.781SS**  trans80.7127.7132-173.90000122
280S47.2Very low48.6Very low108 Ų108135.6 Ų135.676%0.75578%0.777SS**  trans-88.8-148.5-169.7-47.40000114.7
281P57Low48.9Very low117 Ų117139 Ų13976%0.7679%0.787SS**  -130.2-178.5-79.234.9-15.6000113.2
282S46.8Very low48.9Very low113 Ų113140.1 Ų140.179%0.7978%0.779SS**  172.3143.8129.857.60000116.4
283S49.8Very low49.4Very low118 Ų118138.5 Ų138.583%0.82578%0.781SS**  trans64.9136.4149.4-102.30000120.4
284A45.8Very low49.4Very low74 Ų74140.6 Ų140.661%0.61279%0.785SS**  cis-167.1145.11400000112.2
285R50.6Low49.4Very low216 Ų216135.5 Ų135.582%0.81578%0.777SS**  trans59.6137.4133.7-66.4174.4-176.5-148.5-3.3118.8
286K48.8Very low49.8Very low170 Ų170131.3 Ų131.374%0.73977%0.769SS**  cis-174.2141.324.7-121.1167.8-178.4-1720110.9
287S49.3Very low49.8Very low105 Ų105129.3 Ų129.373%0.73477%0.765SS**  trans49137.2143.659.10000121.6
288S52.5Low50.1Low111 Ų111128.3 Ų128.378%0.77677%0.769SS**  cis179.7150.410.533.10000110.4
289P55.1Low50.5Low121 Ų121126.4 Ų126.479%0.78677%0.774SS**  trans-111.2-165.316741.6-29.8000111.1
290P50.2Low50.4Low122 Ų122129.1 Ų129.179%0.79278%0.778SS**  cis-143.2-169.310.238.7-13.5000118.1
291L48Very low50.7Low161 Ų161129.1 Ų129.184%0.84378%0.775SS**  trans-52.7-164.6-176.7-59.8165.1000119.1
292P53.4Low50.5Low106 Ų106129.7 Ų129.769%0.68878%0.777SS**  -130.3166.1-67.938.2-21.6000113
293M54.2Low50.9Low163 Ų163131.2 Ų131.280%0.80378%0.775SS**  trans-151.2131.9167.3-76.1-65.7-78.700113.7
294F52.4Low50.9Low193 Ų193130.5 Ų130.585%0.84677%0.769SS**  trans20.1143.9141.4-65.4-99.4000119.5
295G45.8Very low51Low62 Ų62138 Ų13864%0.63978%0.782SS**  cis142.1149.317.700000109.2
296S52.2Low51.5Low105 Ų105132 Ų13273%0.73478%0.779SS**  trans91137.3149.1-210000122.1
297N49.8Very low51.8Low155 Ų155132.4 Ų132.483%0.82978%0.783SS**  trans92104.3149.6-60.1-15.3000117.8
298A47.6Very low52.4Low98 Ų98132.8 Ų132.881%0.8179%0.786SS**  79.7106.362.800000113.5
299A55.7Low52.6Low107 Ų107140.5 Ų140.588%0.88481%0.809SS**  trans-165.1110153.500000111.3
300Q47.1Very low52.5Low187 Ų187141.5 Ų141.587%0.87481%0.811SS**  trans-116.8-179.6151-88.7-159.5-1200106.2
301P53.5Low52.6Low107 Ų107142.5 Ų142.570%0.69581%0.812SS**  cis-120.9-164.8-44.429.6-9.7000108.8
302T51.7Low52.9Low129 Ų129141.4 Ų141.479%0.79181%0.81SS**  trans160.2145.5132.3-47.60000111.5
303I55.5Low52.8Low146 Ų146143.5 Ų143.575%0.74982%0.817SS**  trans115.790.3148.1-53.1-176.4000117.7
304S50.7Low52.7Low102 Ų102142.3 Ų142.371%0.71382%0.818SS**  trans27.7129.4131.862.60000125.3
305R47.1Very low52.8Low232 Ų232138.9 Ų138.988%0.87582%0.816SS**  75.8115.4117.7-166.7178.3177.5161-0.1121.5
306A62Low53.3Low91 Ų91144.4 Ų144.475%0.75283%0.829SS**  trans-167.4110.2139.100000108.6
307Q54.4Low53.3Low177 Ų177147.5 Ų147.583%0.82784%0.836SS**  52.4113.6105.6-79.2-167.3-18.100116.9
308S61.8Low53.6Low113 Ų113146.8 Ų146.879%0.7984%0.836SS**  166.3138113.460.40000112.2
309E56.8Low54.2Low273 Ų273151.3 Ų151.3100%1.27684%0.839SS**  trans79.30172-57.5-171.4150.300119

Retrieved 309 of 309 residues in 270.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).