A0A3Q0KT09_SCHMA Loading...

Putative immunoglobulin domain superfamily (Sensory guidance protein)

AlphaFold DB , UniProt , Accession A0A3Q0KT09, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 806 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
1M39.3Very low34Very low229 Ų229149.3 Ų149.3100%1.12876%0.76SS**  090.60-75.9170.872.500107.6L3M1-L3 PolarHBondContact O-N 3.5Å
2L37.6Very low33.5Very low167 Ų167151.1 Ų151.187%0.87476%0.759SS**  trans-81.7106179.7-83.195.7000108.9V4L2-V4 PolarHBondContact O-N 3.03Å; L2-V4 VanDerWaalsContact O-N 3.1Å
3L37.9Very low32.9Very low151 Ų151143.5 Ų143.579%0.79174%0.743SS**  trans-69.796.6167.6-105.392000108.3M1 L5M1-L3 PolarHBondContact O-N 3.5Å; L3-L5 PolarHBondContact O-N 3.44Å
4V40.1Very low32.4Very low110 Ų110141.5 Ų141.567%0.66774%0.74SS**  trans-81.198.7166.6179.80000106.6L2 W6L2-V4 PolarHBondContact O-N 3.03Å; L2-V4 VanDerWaalsContact O-N 3.1Å; V4-W6 PolarHBondContact O-N 3.43Å
5L36.9Very low32.3Very low139 Ų139138.8 Ų138.873%0.72874%0.735SS**  trans-62.1100.3171.5-92.7103.4000109.2L3 L7L3-L5 PolarHBondContact O-N 3.44Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.23Å
6W34Very low32.4Very low210 Ų210142.4 Ų142.480%0.79574%0.737SS**  trans-69.293.1162.6-90.360.9000108.6V4 I8V4-W6 PolarHBondContact O-N 3.43Å; W6-I8 HydrophobicContact CB-CG1 4.39Å; W6-I8 HydrophobicContact CE3-CD1 4.17Å; W6-I8 HydrophobicContact CE3-CG1 3.93Å; W6-I8 PolarHBondContact O-N 3.26Å
7L30Very low32.5Very low148 Ų148138 Ų13878%0.77573%0.734SS**  trans-68.381.1160.9-101131.1000108L5 V9L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.23Å; L7-V9 VanDerWaalsContact C-N 3.27Å; L7-V9 PolarHBondContact O-N 3.22Å
8I31.7Very low32.7Very low104 Ų104135.4 Ų135.453%0.53374%0.736SS.*  trans-70.994.7162.9-62.6173.6000105.4W6 F10W6-I8 HydrophobicContact CB-CG1 4.39Å; W6-I8 HydrophobicContact CE3-CD1 4.17Å; W6-I8 HydrophobicContact CE3-CG1 3.93Å; W6-I8 PolarHBondContact O-N 3.26Å; I8-F10 HydrophobicContact CB-CD2 4.42Å; I8-F10 HydrophobicContact CB-CE2 4.35Å; I8-F10 HydrophobicContact CG2-CD2 3.7Å; I8-F10 HydrophobicContact CG2-CE2 3.65Å; I8-F10 HydrophobicContact CG2-CG 4.32Å; I8-F10 HydrophobicContact CG2-CZ 4.24Å; I8-F10 PolarHBondContact O-N 3.45Å
9V30Very low33.4Very low107 Ų107133.2 Ų133.265%0.64873%0.731SS**  trans-64.293163.4179.10000105.7L7 V11L7-V9 VanDerWaalsContact C-N 3.27Å; L7-V9 PolarHBondContact O-N 3.22Å; V9-V11 HydrophobicContact CG1-CG2 3.96Å; V9-V11 PolarHBondContact O-N 3.06Å
10F28.2Very low34.5Very low154 Ų154129.2 Ų129.268%0.67571%0.711SS**  trans-62.790.6161.9-85-86.2000106.6I8 F12I8-F10 HydrophobicContact CB-CD2 4.42Å; I8-F10 HydrophobicContact CB-CE2 4.35Å; I8-F10 HydrophobicContact CG2-CD2 3.7Å; I8-F10 HydrophobicContact CG2-CE2 3.65Å; I8-F10 HydrophobicContact CG2-CG 4.32Å; I8-F10 HydrophobicContact CG2-CZ 4.24Å; I8-F10 PolarHBondContact O-N 3.45Å; F10-F12 HydrophobicContact CB-CD2 4.15Å; F10-F12 HydrophobicContact CB-CE2 4.04Å; F10-F12 PolarHBondContact O-N 3.15Å
11V28.3Very low36.3Very low123 Ų123130.3 Ų130.375%0.74570%0.704SS**  trans-64.689.7158.2-1790000104.7V9 G13V9-V11 HydrophobicContact CG1-CG2 3.96Å; V9-V11 PolarHBondContact O-N 3.06Å; V11-G13 PolarHBondContact O-N 2.92Å
12F28.6Very low38.2Very low171 Ų171120.9 Ų120.975%0.7566%0.658SS**  trans-62.577.5154.3-75.1-83.8000106.1F10 T14F10-F12 HydrophobicContact CB-CD2 4.15Å; F10-F12 HydrophobicContact CB-CE2 4.04Å; F10-F12 PolarHBondContact O-N 3.15Å; F12-T14 PolarHBondContact O-N 3.45Å
13G25Very low40.5Very low53 Ų53115.5 Ų115.555%0.54663%0.628SS.*  trans-65.293.8148.900000103.3V11 P15V11-G13 PolarHBondContact O-N 2.92Å; G13-P15 VanDerWaalsContact C-N 3.34Å; G13-P15 WeakPolarHBondContact O-CD 3.38Å; G13-P15 WeakPolarHBondContact O-CG 3.39Å
14T25.7Very low42.7Very low115 Ų115109 Ų10971%0.70659%0.593SS**  trans-57.4101.1167.534.60000106F12 Y16F12-T14 PolarHBondContact O-N 3.45Å; T14-Y16 PolarHBondContact O-N 3.15Å
15P30.9Very low45.1Very low101 Ų101104 Ų10466%0.65656%0.563SS**SBendtrans-74.9132.3169.66.415.7000103.9G13G13-P15 VanDerWaalsContact C-N 3.34Å; G13-P15 WeakPolarHBondContact O-CD 3.38Å; G13-P15 WeakPolarHBondContact O-CG 3.39Å
16Y34.9Very low47.7Very low197 Ų19799.6 Ų99.677%0.77354%0.538SS*.SBendtrans75.5115.6-174.9-50.9-83000113.2T14T14-Y16 PolarHBondContact O-N 3.15Å
17G34.3Very low50.6Low67 Ų6790.6 Ų90.669%0.69151%0.505SS*.SBendtrans-47.3145.2162.100000109.8S19G17-S19 PolarHBondContact O-N 3.5Å
18A35.9Very low53.5Low92 Ų9286.3 Ų86.376%0.7648%0.482SS*.SBendtrans-27.5120.6175.800000110.6T20A18-T20 VanDerWaalsContact C-N 3.32Å; A18-T20 WeakPolarHBondContact O-CG2 3.42Å; A18-T20 PolarHBondContact O-N 3.12Å
19S45.5Very low56.5Low93 Ų9385.2 Ų85.265%0.6548%0.481SS*.  trans-5694.1-16475.80000111G17 R21G17-S19 PolarHBondContact O-N 3.5Å; S19-R21 PolarHBondContact O-N 3.3Å
20T56.4Low59.5Low52 Ų5281.8 Ų81.832%0.31946%0.461SS..  trans-72.9103.7173.140.50000104.3A18 E22 Q560A18-T20 VanDerWaalsContact C-N 3.32Å; A18-T20 WeakPolarHBondContact O-CG2 3.42Å; A18-T20 PolarHBondContact O-N 3.12Å; T20-E22 PolarHBondContact O-N 3.27Å; T20-Q560 HydrophobicContact CG2-CB 3.52Å; T20-Q560 WeakPolarHBondContact CG2-O 3.38Å
21R71.6Confident62.5Low153 Ų15381.5 Ų81.558%0.57747%0.466SS*.  trans-63.7125.3-179.3-66.2-168.1-177.7177.5-4.6107.3S19 P81 D83S19-R21 PolarHBondContact O-N 3.3Å; R21-P81 CarbonylContact C-O 3.51Å; R21-P81 WeakPolarHBondContact CA-O 3.45Å; R21-D83 HydrophobicContact CB-CB 3.66Å
22E79.6Confident65.2Low32 Ų3279.4 Ų79.415%0.1547%0.47CS..BIsolated β-bridgetrans-82155.7-175.4-71.4-66.3-178.800111.1T20 A80 P81 L82 D83 R522 S561T20-E22 PolarHBondContact O-N 3.27Å; E22-A80 HydrophobicContact CB-CB 4.23Å; E22-A80 HydrophobicContact CG-CB 3.93Å; E22-P81 PolarHBondContact N-O 3.13Å; E22-L82 CarbonylContact O-C 3.59Å; E22-L82 VanDerWaalsContact O-CA 3.23Å; E22-L82 WeakPolarHBondContact O-CA 3.46Å; E22-D83 PolarHBondContact O-N 3.43Å; E22-R522 IonicContact OE1-NH1 2.66Å; E22-R522 PolarHBondContact OE1-NH1 2.84Å; E22-R522 IonicContact OE2-CZ 2.67Å; E22-R522 IonicContact OE2-NH1 3.28Å; E22-R522 PolarHBondContact OE2-NH1 3.08Å; E22-S561 WeakPolarHBondContact OE1-CB 3.21Å
23Q85.5Confident68.1Low53 Ų5371.9 Ų71.925%0.24844%0.438CS..SBendtrans-104.1-13.4175.3-67.8-179.7-13.100111.4D83 H86 N153 N155Q23-D83 WeakPolarHBondContact CG-OD2 3.48Å; Q23-D83 PolarHBondContact NE2-OD2 3.37Å; Q23-D83 VanDerWaalsContact NE2-OD2 3.1Å; Q23-H86 HydrophobicContact CB-CB 4.48Å; Q23-N153 PolarHBondContact O-ND2 3.13Å; Q23-N153 VanDerWaalsContact O-ND2 3.15Å; Q23-N155 PolarHBondContact O-ND2 2.83Å
24Y84.4Confident70.9Confident14 Ų1477.5 Ų77.56%0.05544%0.442CS..SBendtrans-110.7142.7-167.9-50.8-76.9000110.9Q26 I498 T501 L520Y24-Q26 PolarHBondContact O-N 2.87Å; Y24-I498 HydrophobicContact CE1-CG2 3.3Å; Y24-I498 WeakPolarHBondContact OH-CG2 3.21Å; Y24-I498 PolarHBondContact OH-O 2.87Å; Y24-T501 HydrophobicContact CD1-CG2 3.49Å; Y24-T501 VanDerWaalsContact CD1-CG2 3.49Å; Y24-T501 HydrophobicContact CD2-CG2 4.36Å; Y24-T501 VanDerWaalsContact CE1-CB 3.48Å; Y24-T501 HydrophobicContact CE1-CG2 3.04Å; Y24-T501 HydrophobicContact CE2-CG2 4.02Å; Y24-T501 HydrophobicContact CG-CG2 4.11Å; Y24-T501 WeakPolarHBondContact OH-CB 3.42Å; Y24-T501 PolarHBondContact OH-OG1 3.17Å; Y24-L520 HydrophobicContact CD1-CD1 4.36Å; Y24-L520 HydrophobicContact CG-CD1 4.16Å; Y24-L520 HydrophobicContact CG-CD2 4.33Å
25L89.3Confident73.6Confident7 Ų775.2 Ų75.24%0.03742%0.423CS..  trans-76.1115.1173.9-62.7-174.2000110.1L82 L88 Y151 N153 G156 L158L25-L82 HydrophobicContact CD2-CD1 3.85Å; L25-L82 HydrophobicContact CD2-CD2 4.28Å; L25-L88 HydrophobicContact CD1-CD2 4.19Å; L25-L88 HydrophobicContact CD2-CD2 3.48Å; L25-L88 VanDerWaalsContact CD2-CD2 3.48Å; L25-L88 HydrophobicContact CD2-CG 4.47Å; L25-Y151 WeakPolarHBondContact CD1-O 2.97Å; L25-N153 HydrophobicContact CD1-CB 4.35Å; L25-N153 HydrophobicContact CD2-CB 4.14Å; L25-N153 HydrophobicContact CG-CB 4.32Å; L25-G156 WeakPolarHBondContact CD1-O 3.5Å; L25-L158 HydrophobicContact CB-CB 4.03Å; L25-L158 HydrophobicContact CB-CD2 4.34Å; L25-L158 HydrophobicContact CD1-CB 4.33Å
26Q91.7Very high76Confident45 Ų4575.4 Ų75.421%0.2142%0.419CS..  trans-139.3123.8169.4-170.8177.33400108.2Y24 V79 A80 P419Y24-Q26 PolarHBondContact O-N 2.87Å; Q26-V79 CarbonylContact O-C 3.58Å; Q26-V79 WeakPolarHBondContact O-CA 3.48Å; Q26-V79 WeakPolarHBondContact O-CB 3.42Å; Q26-A80 PolarHBondContact O-N 2.85Å; Q26-P419 PolarHBondContact NE2-O 2.87Å; Q26-P419 VanDerWaalsContact NE2-O 3.11Å
27F94.5Very high78.4Confident22 Ų2267.8 Ų67.810%0.09639%0.393CS..BIsolated β-bridgetrans-68.1137.9170.3-67.7-52000109.6A53 T54 C77 I78 V79 C149 Y151 L158F27-A53 HydrophobicContact CB-CB 4.04Å; F27-A53 HydrophobicContact CD1-CB 3.65Å; F27-A53 HydrophobicContact CD2-CB 3.58Å; F27-A53 HydrophobicContact CE1-CB 3.94Å; F27-A53 HydrophobicContact CE2-CB 3.87Å; F27-A53 HydrophobicContact CG-CB 3.49Å; F27-A53 VanDerWaalsContact CG-CB 3.49Å; F27-A53 HydrophobicContact CZ-CB 4.05Å; F27-T54 HydrophobicContact CB-CG2 3.83Å; F27-T54 WeakPolarHBondContact O-CG2 3.34Å; F27-C77 HydrophobicContact CE1-CB 4.32Å; F27-I78 VanDerWaalsContact CA-O 3.31Å; F27-I78 WeakPolarHBondContact CA-O 3.48Å; F27-V79 HydrophobicContact CD1-CG1 3.66Å; F27-V79 HydrophobicContact CE1-CG1 3.89Å; F27-C149 HydrophobicContact CZ-CB 4.36Å; F27-Y151 AromaticContact CE1-CD2 3.91Å; F27-Y151 HydrophobicContact CE1-CD2 3.91Å; F27-Y151 HydrophobicContact CE1-CE2 4.23Å; F27-Y151 HydrophobicContact CE1-CG 4.27Å; F27-Y151 HydrophobicContact CZ-CG 4.48Å; F27-L158 HydrophobicContact CB-CD2 4.26Å; F27-L158 HydrophobicContact CD1-CD2 4.08Å; F27-L158 HydrophobicContact CD2-CD2 3.28Å; F27-L158 HydrophobicContact CD2-CG 3.73Å; F27-L158 HydrophobicContact CE1-CD2 4.24Å; F27-L158 HydrophobicContact CE2-CB 4.3Å; F27-L158 HydrophobicContact CE2-CD2 3.47Å; F27-L158 VanDerWaalsContact CE2-CD2 3.47Å; F27-L158 HydrophobicContact CE2-CG 3.48Å; F27-L158 VanDerWaalsContact CE2-CG 3.48Å; F27-L158 HydrophobicContact CG-CD2 3.59Å; F27-L158 HydrophobicContact CG-CG 4.49Å; F27-L158 HydrophobicContact CZ-CB 4.44Å; F27-L158 HydrophobicContact CZ-CD2 3.95Å; F27-L158 HydrophobicContact CZ-CG 4.06Å
28I92.7Very high81Confident57 Ų5768.5 Ų68.529%0.29238%0.375SS..  trans-113.4144.3178.759.9170000110.8T54 I78 A80I28-T54 WeakPolarHBondContact O-CG2 3.28Å; I28-I78 HydrophobicContact CD1-CG2 3.8Å; I28-I78 HydrophobicContact CG1-CB 4.2Å; I28-I78 HydrophobicContact CG1-CG2 3.72Å; I28-I78 PolarHBondContact N-O 2.88Å; I28-A80 HydrophobicContact CG2-CB 3.95Å
29P93.5Very high83.5Confident81 Ų8165.9 Ų65.953%0.52635%0.347SS..PPolyproline II helixtrans-66.6144.3-179.628.4-35.6000110H35 T54P29-H35 WeakPolarHBondContact CB-NE2 3.32Å; P29-T54 HydrophobicContact CB-CG2 4.46Å
30V93.7Very high85.5Confident35 Ų3563.5 Ų63.521%0.21232%0.324CS..PPolyproline II helixtrans-96.6128.1176.6178.50000110G32 V33 D52 H76 I78V30-G32 PolarHBondContact O-N 3.05Å; V30-V33 HydrophobicContact CB-CB 4.43Å; V30-V33 HydrophobicContact CB-CG2 3.81Å; V30-V33 HydrophobicContact CG1-CG2 3.91Å; V30-V33 WeakPolarHBondContact O-CB 3.3Å; V30-V33 PolarHBondContact O-N 2.68Å; V30-V33 VanDerWaalsContact O-N 3.08Å; V30-D52 HydrophobicContact CB-CB 4.46Å; V30-D52 HydrophobicContact CG2-CB 4.23Å; V30-D52 PolarHBondContact N-OD2 3.33Å; V30-D52 VanDerWaalsContact N-OD2 3.13Å; V30-H76 HydrophobicContact CB-CB 4.5Å; V30-H76 HydrophobicContact CG2-CB 3.71Å; V30-I78 HydrophobicContact CG2-CB 4.34Å; V30-I78 HydrophobicContact CG2-CG1 3.92Å
31N90.3Very high86.7Confident148 Ų14862.8 Ų62.879%0.79132%0.317SS*.THydrogen-bonded Turntrans-56.3129.3178.8-76.1-24.2000111.4V33N31-V33 VanDerWaalsContact C-N 3.34Å
32G86.3Confident86.4Confident79 Ų7956.6 Ų56.681%0.81430%0.295SS*.THydrogen-bonded Turntrans90.9-14.7-179.400000114.7V30V30-G32 PolarHBondContact O-N 3.05Å
33V88.3Confident85.1Confident13 Ų1358.4 Ų58.48%0.07931%0.309CS..  trans-80.7134.2176.1-177.60000110.1V30 N31 H35 E50 D52V30-V33 HydrophobicContact CB-CB 4.43Å; V30-V33 HydrophobicContact CB-CG2 3.81Å; V30-V33 HydrophobicContact CG1-CG2 3.91Å; V30-V33 WeakPolarHBondContact O-CB 3.3Å; V30-V33 PolarHBondContact O-N 2.68Å; V30-V33 VanDerWaalsContact O-N 3.08Å; N31-V33 VanDerWaalsContact C-N 3.34Å; V33-H35 PolarHBondContact O-CE1 3.21Å; V33-H35 VanDerWaalsContact O-CE1 3.24Å; V33-H35 PolarHBondContact O-ND1 3.1Å; V33-E50 HydrophobicContact CG1-CB 4.47Å; V33-E50 HydrophobicContact CG2-CB 4.1Å; V33-D52 HydrophobicContact CG1-CB 4.28Å
34R84.9Confident83.6Confident171 Ų17157.3 Ų57.365%0.64531%0.312SS*.  trans-84133.1177.6-73.5-171.3179.1-136.72.5110.7
35H81.7Confident82.1Confident67 Ų6763 Ų6331%0.3134%0.343SS..SBendtrans-106.10.1-176.2-61.768.5000113P29 V33 Y38 D52 T54 I55P29-H35 WeakPolarHBondContact CB-NE2 3.32Å; V33-H35 PolarHBondContact O-CE1 3.21Å; V33-H35 VanDerWaalsContact O-CE1 3.24Å; V33-H35 PolarHBondContact O-ND1 3.1Å; H35-Y38 PolarHBondContact O-OH 3.31Å; H35-D52 IonicContact CD2-OD1 3.29Å; H35-D52 IonicContact CD2-OD2 3.65Å; H35-D52 IonicContact CE1-OD2 3.27Å; H35-D52 PolarHBondContact CE1-OD2 3.33Å; H35-D52 IonicContact NE2-OD1 3.9Å; H35-D52 PolarHBondContact NE2-OD1 3.25Å; H35-D52 IonicContact NE2-OD2 2.88Å; H35-D52 PolarHBondContact NE2-OD2 3.16Å; H35-T54 PolarHBondContact CD2-OG1 3.43Å; H35-T54 PolarHBondContact NE2-OG1 3.42Å; H35-I55 WeakPolarHBondContact O-CD1 3.44Å
36D81.8Confident80.4Confident106 Ų10673.2 Ų73.257%0.56738%0.381SS*.SBendtrans-105.1-6.6179.660.8-31.7000113Y38D36-Y38 WeakPolarHBondContact O-CD2 3.37Å; D36-Y38 PolarHBondContact O-N 3.2Å
37T85.2Confident79.1Confident36 Ų3676.6 Ų76.622%0.22140%0.4CS..  trans-91103.6179.1-51.60000110.8F39 Y40T37-F39 WeakPolarHBondContact CG2-O 3.46Å; T37-Y40 HydrophobicContact CG2-CD1 4.4Å; T37-Y40 HydrophobicContact CG2-CD2 4.19Å; T37-Y40 HydrophobicContact CG2-CE1 3.94Å; T37-Y40 HydrophobicContact CG2-CE2 3.65Å
38Y88.4Confident78.6Confident82 Ų8278.2 Ų78.232%0.32241%0.41SS..  trans-100-2.4177.5-53.2-68000114H35 D36 I55 Q57 V59 R60H35-Y38 PolarHBondContact O-OH 3.31Å; D36-Y38 WeakPolarHBondContact O-CD2 3.37Å; D36-Y38 PolarHBondContact O-N 3.2Å; Y38-I55 HydrophobicContact CD1-CD1 3.94Å; Y38-I55 HydrophobicContact CD1-CG1 4.11Å; Y38-I55 HydrophobicContact CE1-CD1 3.45Å; Y38-I55 VanDerWaalsContact CE1-CD1 3.45Å; Y38-I55 HydrophobicContact CE1-CG1 3.85Å; Y38-Q57 HydrophobicContact CD1-CG 3.4Å; Y38-Q57 VanDerWaalsContact CD1-CG 3.4Å; Y38-Q57 HydrophobicContact CE1-CG 3.28Å; Y38-Q57 VanDerWaalsContact CE2-NE2 3.33Å; Y38-Q57 HydrophobicContact CG-CG 4.12Å; Y38-Q57 VanDerWaalsContact CG-NE2 3.26Å; Y38-V59 CarbonylContact O-C 3.6Å; Y38-V59 WeakPolarHBondContact O-CA 3.36Å; Y38-R60 PolarHBondContact O-N 3.19Å
39F88.9Confident78.5Confident37 Ų3775.6 Ų75.616%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-142.9132.8-178.6-177.1-90.2000111.9T37 E41 R60 R62 P334T37-F39 WeakPolarHBondContact CG2-O 3.46Å; F39-E41 HydrophobicContact CD1-CB 4.39Å; F39-E41 HydrophobicContact CE1-CB 3.46Å; F39-E41 VanDerWaalsContact CE1-CB 3.46Å; F39-E41 HydrophobicContact CE1-CG 4.38Å; F39-E41 VanDerWaalsContact CE1-OE2 3.31Å; F39-E41 WeakPolarHBondContact CE1-OE2 3.26Å; F39-E41 HydrophobicContact CZ-CB 3.93Å; F39-R60 CarbonylContact C-O 3.58Å; F39-R60 VanDerWaalsContact CA-O 3.25Å; F39-R60 WeakPolarHBondContact CA-O 3.42Å; F39-R60 HydrophobicContact CD2-CB 4.04Å; F39-R60 HydrophobicContact CD2-CG 4.14Å; F39-R60 HydrophobicContact CE2-CG 4.26Å; F39-R62 HydrophobicContact CE2-CB 4.19Å; F39-R62 HydrophobicContact CZ-CB 4.01Å; F39-P334 HydrophobicContact CB-CG 4.21Å; F39-P334 HydrophobicContact CD1-CG 3.09Å; F39-P334 HydrophobicContact CD2-CG 4.39Å; F39-P334 HydrophobicContact CE1-CG 3.33Å; F39-P334 HydrophobicContact CG-CG 3.66Å; F39-P334 HydrophobicContact CZ-CG 4.12Å
40Y87.8Confident78.4Confident43 Ų4374.3 Ų74.317%0.16938%0.383CS..EExtended strand (participates in β ladder)trans-125.5136.7174.6-63.7-100.1000109.4T37 I49 E50 I51 V59 R60 I61 R62T37-Y40 HydrophobicContact CG2-CD1 4.4Å; T37-Y40 HydrophobicContact CG2-CD2 4.19Å; T37-Y40 HydrophobicContact CG2-CE1 3.94Å; T37-Y40 HydrophobicContact CG2-CE2 3.65Å; Y40-I49 HydrophobicContact CD1-CG2 3.84Å; Y40-I49 HydrophobicContact CD2-CG2 4.18Å; Y40-I49 HydrophobicContact CE1-CG2 3.88Å; Y40-I49 HydrophobicContact CE2-CG2 4.25Å; Y40-I49 HydrophobicContact CG-CG2 3.99Å; Y40-E50 PolarHBondContact OH-O 3.07Å; Y40-I51 HydrophobicContact CE2-CD1 4.19Å; Y40-I51 HydrophobicContact CE2-CG1 4.06Å; Y40-V59 HydrophobicContact CD2-CG1 3.78Å; Y40-V59 HydrophobicContact CE2-CG1 3.68Å; Y40-R60 PolarHBondContact N-O 2.79Å; Y40-I61 HydrophobicContact CD2-CG1 4.24Å; Y40-I61 CarbonylContact O-C 3.57Å; Y40-I61 WeakPolarHBondContact O-CA 3.34Å; Y40-R62 PolarHBondContact O-N 3.44Å
41E80.8Confident78.5Confident37 Ų3772.9 Ų72.917%0.17337%0.374CS..EExtended strand (participates in β ladder)trans-134.5138.4176.9-179.9159.5-143.900111.2F39 P43 R62 V64 Q335F39-E41 HydrophobicContact CD1-CB 4.39Å; F39-E41 HydrophobicContact CE1-CB 3.46Å; F39-E41 VanDerWaalsContact CE1-CB 3.46Å; F39-E41 HydrophobicContact CE1-CG 4.38Å; F39-E41 VanDerWaalsContact CE1-OE2 3.31Å; F39-E41 WeakPolarHBondContact CE1-OE2 3.26Å; F39-E41 HydrophobicContact CZ-CB 3.93Å; E41-P43 VanDerWaalsContact C-CD 3.45Å; E41-P43 WeakPolarHBondContact O-CD 3.5Å; E41-R62 VanDerWaalsContact CA-O 3.31Å; E41-R62 WeakPolarHBondContact CA-O 3.5Å; E41-R62 IonicContact OE1-NH1 3.59Å; E41-V64 HydrophobicContact CG-CG1 4.06Å; E41-V64 HydrophobicContact CG-CG2 3.96Å; E41-Q335 WeakPolarHBondContact OE2-CB 3.29Å; E41-Q335 WeakPolarHBondContact OE2-CG 3.39Å; E41-Q335 PolarHBondContact OE2-OE1 3.16Å
42H66Low78.7Confident23 Ų2366 Ų6611%0.10634%0.338CS..EExtended strand (participates in β ladder)trans-114.383.3-170-7154000114.4I49 R62 V64 E65H42-I49 WeakPolarHBondContact CE1-CD1 3.37Å; H42-I49 VanDerWaalsContact NE2-CD1 3.3Å; H42-I49 WeakPolarHBondContact NE2-CD1 3.32Å; H42-R62 PolarHBondContact N-O 3.34Å; H42-V64 WeakPolarHBondContact O-CG2 3.23Å; H42-E65 WeakPolarHBondContact O-CB 3.43Å; H42-E65 PolarHBondContact O-N 2.83Å
43P52.4Low79.2Confident70 Ų7062.7 Ų62.746%0.45530%0.303SS..SBendtrans-102.516165.622.1-6.7000113.8E41 V64 E65E41-P43 VanDerWaalsContact C-CD 3.45Å; E41-P43 WeakPolarHBondContact O-CD 3.5Å; P43-V64 HydrophobicContact CB-CG2 3.82Å; P43-V64 HydrophobicContact CG-CG2 4.06Å; P43-E65 VanDerWaalsContact O-OE2 3.1Å
44G53.2Low79.5Confident30 Ų3063.8 Ų63.831%0.30931%0.309SS..SBendtrans142.852.6162.600000120L67G44-L67 WeakPolarHBondContact O-CD1 3.45Å
45L53.6Low79.9Confident133 Ų13356 Ų5670%0.69628%0.28SS*.  trans-134.8144-172.7-98.5144.9000117.9N47L45-N47 PolarHBondContact O-N 3.08Å
46R52.3Low80.3Confident223 Ų22358.2 Ų58.284%0.84229%0.289SS*.  trans-6623.3174.1-70.6-179166.7-173.1-3.3115.2
47N65.9Low80.8Confident115 Ų11554.1 Ų54.162%0.61527%0.267SS*.  trans-108.2124.4-176.2-70.4-12.7000110.6L45L45-N47 PolarHBondContact O-N 3.08Å
48L82.7Confident81.2Confident57 Ų5752.8 Ų52.830%0.29826%0.258SS..  trans-58.7129.5168-176.567.2000110E50 V72 R74L48-E50 HydrophobicContact CB-CG 4.38Å; L48-E50 HydrophobicContact CD2-CG 3.46Å; L48-E50 VanDerWaalsContact CD2-CG 3.46Å; L48-E50 WeakPolarHBondContact CD2-OE1 3.46Å; L48-E50 HydrophobicContact CG-CG 3.55Å; L48-E50 PolarHBondContact O-N 3.13Å; L48-V72 HydrophobicContact CD1-CB 3.46Å; L48-V72 VanDerWaalsContact CD1-CB 3.46Å; L48-V72 HydrophobicContact CD1-CG1 3.26Å; L48-R74 HydrophobicContact CD1-CG 3.82Å; L48-R74 HydrophobicContact CD2-CG 4.35Å; L48-R74 HydrophobicContact CG-CG 4.3Å
49I89.9Confident81.5Confident2 Ų249 Ų491%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-83.4106.2171.6-47.3169.4000107.1Y40 H42 I51 I61 V72 L73 R74Y40-I49 HydrophobicContact CD1-CG2 3.84Å; Y40-I49 HydrophobicContact CD2-CG2 4.18Å; Y40-I49 HydrophobicContact CE1-CG2 3.88Å; Y40-I49 HydrophobicContact CE2-CG2 4.25Å; Y40-I49 HydrophobicContact CG-CG2 3.99Å; H42-I49 WeakPolarHBondContact CE1-CD1 3.37Å; H42-I49 VanDerWaalsContact NE2-CD1 3.3Å; H42-I49 WeakPolarHBondContact NE2-CD1 3.32Å; I49-I51 HydrophobicContact CG2-CD1 4.04Å; I49-I51 HydrophobicContact CG2-CG1 4.24Å; I49-I61 HydrophobicContact CD1-CD1 4.11Å; I49-I61 HydrophobicContact CD1-CG2 3.81Å; I49-I61 HydrophobicContact CG2-CD1 3.92Å; I49-I61 HydrophobicContact CG2-CG1 4.37Å; I49-V72 PolarHBondContact N-O 3.34Å; I49-L73 HydrophobicContact CB-CD1 3.97Å; I49-L73 HydrophobicContact CG2-CD1 3.79Å; I49-R74 PolarHBondContact O-N 2.83Å
50E92.8Very high81.6Confident54 Ų5447.9 Ų47.925%0.25224%0.238SC..EExtended strand (participates in β ladder)trans-109.9125.2174.8-59.5-167.3118.800109.6V33 Y40 L48 R74 H76V33-E50 HydrophobicContact CG1-CB 4.47Å; V33-E50 HydrophobicContact CG2-CB 4.1Å; Y40-E50 PolarHBondContact OH-O 3.07Å; L48-E50 HydrophobicContact CB-CG 4.38Å; L48-E50 HydrophobicContact CD2-CG 3.46Å; L48-E50 VanDerWaalsContact CD2-CG 3.46Å; L48-E50 WeakPolarHBondContact CD2-OE1 3.46Å; L48-E50 HydrophobicContact CG-CG 3.55Å; L48-E50 PolarHBondContact O-N 3.13Å; E50-R74 HydrophobicContact CG-CB 4.23Å; E50-R74 WeakPolarHBondContact OE1-CD 3.37Å; E50-R74 IonicContact OE1-CZ 3.53Å; E50-R74 IonicContact OE1-NH1 3.8Å; E50-R74 PolarHBondContact OE1-NH1 2.85Å; E50-H76 IonicContact OE1-CE1 3.72Å; E50-H76 IonicContact OE1-NE2 3.85Å; E50-H76 PolarHBondContact OE1-NE2 3.18Å
51I95.3Very high81.8Confident4 Ų445.9 Ų45.92%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-133.4134.5176.9-59.1162.7000106.9Y40 I49 I55 V59 I61 L73 R74 I75 H76 I163Y40-I51 HydrophobicContact CE2-CD1 4.19Å; Y40-I51 HydrophobicContact CE2-CG1 4.06Å; I49-I51 HydrophobicContact CG2-CD1 4.04Å; I49-I51 HydrophobicContact CG2-CG1 4.24Å; I51-I55 HydrophobicContact CG2-CG2 4.36Å; I51-V59 HydrophobicContact CD1-CB 4.17Å; I51-V59 HydrophobicContact CD1-CG1 3.61Å; I51-V59 HydrophobicContact CG1-CG1 4.26Å; I51-V59 HydrophobicContact CG2-CG2 4.11Å; I51-I61 HydrophobicContact CD1-CD1 3.97Å; I51-I61 HydrophobicContact CD1-CG1 4.44Å; I51-L73 HydrophobicContact CD1-CD1 4.27Å; I51-R74 PolarHBondContact N-O 3.26Å; I51-I75 CarbonylContact O-C 3.32Å; I51-I75 WeakPolarHBondContact O-CA 3.22Å; I51-H76 PolarHBondContact O-CD2 2.99Å; I51-H76 PolarHBondContact O-N 2.97Å; I51-I163 HydrophobicContact CB-CD1 4.05Å; I51-I163 HydrophobicContact CD1-CD1 3.93Å; I51-I163 HydrophobicContact CD1-CG1 4.07Å; I51-I163 HydrophobicContact CD1-CG2 3.74Å; I51-I163 HydrophobicContact CG2-CD1 3.82Å; I51-I163 HydrophobicContact CG2-CG1 4.15Å
52D95.4Very high82.1Confident5 Ų544.6 Ų44.63%0.02722%0.223CC..EExtended strand (participates in β ladder)trans-111.1160.817375.345.8000113.1V30 V33 H35 T54 I55 H76V30-D52 HydrophobicContact CB-CB 4.46Å; V30-D52 HydrophobicContact CG2-CB 4.23Å; V30-D52 PolarHBondContact N-OD2 3.33Å; V30-D52 VanDerWaalsContact N-OD2 3.13Å; V33-D52 HydrophobicContact CG1-CB 4.28Å; H35-D52 IonicContact CD2-OD1 3.29Å; H35-D52 IonicContact CD2-OD2 3.65Å; H35-D52 IonicContact CE1-OD2 3.27Å; H35-D52 PolarHBondContact CE1-OD2 3.33Å; H35-D52 IonicContact NE2-OD1 3.9Å; H35-D52 PolarHBondContact NE2-OD1 3.25Å; H35-D52 IonicContact NE2-OD2 2.88Å; H35-D52 PolarHBondContact NE2-OD2 3.16Å; D52-T54 PolarHBondContact O-N 3.15Å; D52-T54 VanDerWaalsContact O-N 3.16Å; D52-T54 WeakPolarHBondContact OD1-CA 3.43Å; D52-T54 WeakPolarHBondContact OD1-CB 3.4Å; D52-T54 PolarHBondContact OD1-N 3.22Å; D52-T54 PolarHBondContact OD1-OG1 2.93Å; D52-I55 WeakPolarHBondContact O-CG2 3.27Å; D52-I55 PolarHBondContact O-N 2.88Å; D52-H76 CarbonylContact C-O 3.55Å; D52-H76 VanDerWaalsContact CA-O 3.28Å; D52-H76 WeakPolarHBondContact CA-O 3.44Å; D52-H76 HydrophobicContact CB-CB 3.75Å
53A96.2Very high83.2Confident9 Ų943.6 Ų43.67%0.07422%0.219CC..THydrogen-bonded Turntrans-71.4-4.6-173.400000114.2F27 I55 H76 C77F27-A53 HydrophobicContact CB-CB 4.04Å; F27-A53 HydrophobicContact CD1-CB 3.65Å; F27-A53 HydrophobicContact CD2-CB 3.58Å; F27-A53 HydrophobicContact CE1-CB 3.94Å; F27-A53 HydrophobicContact CE2-CB 3.87Å; F27-A53 HydrophobicContact CG-CB 3.49Å; F27-A53 VanDerWaalsContact CG-CB 3.49Å; F27-A53 HydrophobicContact CZ-CB 4.05Å; A53-I55 VanDerWaalsContact C-N 3.32Å; A53-H76 PolarHBondContact N-O 2.92Å; A53-C77 HydrophobicContact CB-CB 4.39Å
54T94.1Very high84.6Confident35 Ų3541.4 Ų41.422%0.21520%0.204CC..THydrogen-bonded Turntrans-87-4.9175.874.40000113.3F27 I28 P29 H35 D52 K56F27-T54 HydrophobicContact CB-CG2 3.83Å; F27-T54 WeakPolarHBondContact O-CG2 3.34Å; I28-T54 WeakPolarHBondContact O-CG2 3.28Å; P29-T54 HydrophobicContact CB-CG2 4.46Å; H35-T54 PolarHBondContact CD2-OG1 3.43Å; H35-T54 PolarHBondContact NE2-OG1 3.42Å; D52-T54 PolarHBondContact O-N 3.15Å; D52-T54 VanDerWaalsContact O-N 3.16Å; D52-T54 WeakPolarHBondContact OD1-CA 3.43Å; D52-T54 WeakPolarHBondContact OD1-CB 3.4Å; D52-T54 PolarHBondContact OD1-N 3.22Å; D52-T54 PolarHBondContact OD1-OG1 2.93Å; T54-K56 PolarHBondContact O-N 3.36Å
55I93.9Very high85.7Confident9 Ų944 Ų445%0.04621%0.208CC..  trans-54.1132172.5-162.367000110.4H35 Y38 I51 D52 A53 Q57 V59 N161H35-I55 WeakPolarHBondContact O-CD1 3.44Å; Y38-I55 HydrophobicContact CD1-CD1 3.94Å; Y38-I55 HydrophobicContact CD1-CG1 4.11Å; Y38-I55 HydrophobicContact CE1-CD1 3.45Å; Y38-I55 VanDerWaalsContact CE1-CD1 3.45Å; Y38-I55 HydrophobicContact CE1-CG1 3.85Å; I51-I55 HydrophobicContact CG2-CG2 4.36Å; D52-I55 WeakPolarHBondContact O-CG2 3.27Å; D52-I55 PolarHBondContact O-N 2.88Å; A53-I55 VanDerWaalsContact C-N 3.32Å; I55-Q57 VanDerWaalsContact C-N 3.35Å; I55-Q57 PolarHBondContact O-N 3.34Å; I55-V59 HydrophobicContact CG1-CG2 3.73Å; I55-V59 HydrophobicContact CG2-CG2 4.28Å; I55-N161 HydrophobicContact CG2-CB 4.06Å; I55-N161 PolarHBondContact O-ND2 2.85Å
56K90.8Very high86.3Confident113 Ų11339 Ų3949%0.49118%0.181SC..SBendtrans-82.9-13.2-168.2-66.3172.7175.7-179.40113.7T54 N161 V413 A416T54-K56 PolarHBondContact O-N 3.36Å; K56-N161 PolarHBondContact O-ND2 3.12Å; K56-V413 WeakPolarHBondContact O-CG2 3.39Å; K56-A416 HydrophobicContact CD-CB 3.78Å
57Q90.8Very high86.8Confident20 Ų2032.3 Ų32.39%0.09316%0.162CC..SBendtrans-150173.3-17962.8-174.924.500111.2Y38 I55 N161 V413 A515Y38-Q57 HydrophobicContact CD1-CG 3.4Å; Y38-Q57 VanDerWaalsContact CD1-CG 3.4Å; Y38-Q57 HydrophobicContact CE1-CG 3.28Å; Y38-Q57 VanDerWaalsContact CE2-NE2 3.33Å; Y38-Q57 HydrophobicContact CG-CG 4.12Å; Y38-Q57 VanDerWaalsContact CG-NE2 3.26Å; I55-Q57 VanDerWaalsContact C-N 3.35Å; I55-Q57 PolarHBondContact O-N 3.34Å; Q57-N161 PolarHBondContact N-ND2 2.98Å; Q57-V413 HydrophobicContact CB-CG2 4.14Å; Q57-A515 HydrophobicContact CB-CB 4.48Å
58Q94Very high86.8Confident8 Ų835 Ų354%0.03718%0.176CC..  trans-59.6135.1180179171.2-44.200112.2F162 E164 P410 Y512 G513Q58-F162 CarbonylContact C-O 3.53Å; Q58-F162 VanDerWaalsContact CA-O 3.27Å; Q58-F162 WeakPolarHBondContact CA-O 3.37Å; Q58-F162 HydrophobicContact CG-CB 3.99Å; Q58-F162 WeakPolarHBondContact CG-O 3.4Å; Q58-E164 HydrophobicContact CG-CB 4.49Å; Q58-E164 PolarHBondContact NE2-OE2 2.94Å; Q58-P410 HydrophobicContact CB-CB 4.26Å; Q58-P410 HydrophobicContact CB-CG 4.25Å; Q58-P410 HydrophobicContact CG-CG 4.47Å; Q58-Y512 PolarHBondContact NE2-O 3.25Å; Q58-G513 VanDerWaalsContact OE1-CA 3.22Å
59V94Very high86.5Confident1 Ų139.2 Ų39.21%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-101.9142.1172.7179.50000108.8Y38 Y40 I51 I55 F162 I163 E164Y38-V59 CarbonylContact O-C 3.6Å; Y38-V59 WeakPolarHBondContact O-CA 3.36Å; Y40-V59 HydrophobicContact CD2-CG1 3.78Å; Y40-V59 HydrophobicContact CE2-CG1 3.68Å; I51-V59 HydrophobicContact CD1-CB 4.17Å; I51-V59 HydrophobicContact CD1-CG1 3.61Å; I51-V59 HydrophobicContact CG1-CG1 4.26Å; I51-V59 HydrophobicContact CG2-CG2 4.11Å; I55-V59 HydrophobicContact CG1-CG2 3.73Å; I55-V59 HydrophobicContact CG2-CG2 4.28Å; V59-F162 PolarHBondContact N-O 3.28Å; V59-I163 CarbonylContact O-C 3.48Å; V59-I163 WeakPolarHBondContact O-CA 3.49Å; V59-E164 PolarHBondContact O-N 3.05Å
60R92Very high86.1Confident15 Ų1542.2 Ų42.26%0.05721%0.21CC..EExtended strand (participates in β ladder)trans-117.1133.8175.5-175.6-173.2-64.8151.515111.2Y38 F39 Y40 E164 Q166 I332Y38-R60 PolarHBondContact O-N 3.19Å; F39-R60 CarbonylContact C-O 3.58Å; F39-R60 VanDerWaalsContact CA-O 3.25Å; F39-R60 WeakPolarHBondContact CA-O 3.42Å; F39-R60 HydrophobicContact CD2-CB 4.04Å; F39-R60 HydrophobicContact CD2-CG 4.14Å; F39-R60 HydrophobicContact CE2-CG 4.26Å; Y40-R60 PolarHBondContact N-O 2.79Å; R60-E164 CarbonylContact C-O 3.54Å; R60-E164 WeakPolarHBondContact CA-O 3.46Å; R60-E164 HydrophobicContact CB-CB 4.48Å; R60-E164 HydrophobicContact CG-CB 4.42Å; R60-E164 HydrophobicContact CG-CG 4.37Å; R60-E164 IonicContact CZ-OE2 2.73Å; R60-E164 IonicContact NE-OE1 3.41Å; R60-E164 IonicContact NE-OE2 2.69Å; R60-E164 PolarHBondContact NE-OE2 3.21Å; R60-E164 IonicContact NH2-OE2 3.87Å; R60-Q166 HydrophobicContact CG-CG 4.32Å; R60-I332 PolarHBondContact NH1-O 3.12Å
61I91.3Very high85.8Confident0 Ų040.6 Ų40.60%020%0.204CC..EExtended strand (participates in β ladder)trans-117.6117.9174.7-57.7169.2000107.4Y40 I49 I51 I63 L73 I163 E164 I165 Q166Y40-I61 HydrophobicContact CD2-CG1 4.24Å; Y40-I61 CarbonylContact O-C 3.57Å; Y40-I61 WeakPolarHBondContact O-CA 3.34Å; I49-I61 HydrophobicContact CD1-CD1 4.11Å; I49-I61 HydrophobicContact CD1-CG2 3.81Å; I49-I61 HydrophobicContact CG2-CD1 3.92Å; I49-I61 HydrophobicContact CG2-CG1 4.37Å; I51-I61 HydrophobicContact CD1-CD1 3.97Å; I51-I61 HydrophobicContact CD1-CG1 4.44Å; I61-I63 HydrophobicContact CG2-CG1 4.45Å; I61-L73 HydrophobicContact CD1-CD1 3.71Å; I61-L73 HydrophobicContact CD1-CD2 4.27Å; I61-I163 HydrophobicContact CD1-CG2 3.59Å; I61-I163 HydrophobicContact CG1-CG2 4.24Å; I61-E164 PolarHBondContact N-O 3.13Å; I61-I165 HydrophobicContact CB-CG1 4.45Å; I61-I165 HydrophobicContact CD1-CG1 4.36Å; I61-I165 CarbonylContact O-C 3.43Å; I61-I165 WeakPolarHBondContact O-CA 3.5Å; I61-Q166 PolarHBondContact O-N 3.06Å
62R88.7Confident85.5Confident11 Ų1142.4 Ų42.44%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-106.5119.9175-169.4-177.1-75.8172.2-8.6110.6F39 Y40 E41 H42 V64 Q166 A168F39-R62 HydrophobicContact CE2-CB 4.19Å; F39-R62 HydrophobicContact CZ-CB 4.01Å; Y40-R62 PolarHBondContact O-N 3.44Å; E41-R62 VanDerWaalsContact CA-O 3.31Å; E41-R62 WeakPolarHBondContact CA-O 3.5Å; E41-R62 IonicContact OE1-NH1 3.59Å; H42-R62 PolarHBondContact N-O 3.34Å; R62-V64 HydrophobicContact CG-CG1 3.76Å; R62-Q166 WeakPolarHBondContact CA-O 3.23Å; R62-Q166 HydrophobicContact CG-CB 4.33Å; R62-A168 HydrophobicContact CG-CB 4.45Å
63I88.1Confident85.4Confident1 Ų142.2 Ų42.21%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-95.6104.1177.7-54.7173.9000107.3I61 L136 V138 L143 I165 Q166 A168 Y169I61-I63 HydrophobicContact CG2-CG1 4.45Å; I63-L136 HydrophobicContact CD1-CD1 4.1Å; I63-V138 HydrophobicContact CD1-CG2 4.13Å; I63-V138 HydrophobicContact CG2-CG1 3.81Å; I63-V138 HydrophobicContact CG2-CG2 3.96Å; I63-L143 HydrophobicContact CD1-CD1 3.68Å; I63-I165 HydrophobicContact CD1-CG2 3.84Å; I63-I165 HydrophobicContact CG1-CG2 4.43Å; I63-Q166 PolarHBondContact N-O 3.26Å; I63-A168 WeakPolarHBondContact O-CA 3.49Å; I63-A168 WeakPolarHBondContact O-CB 3.32Å; I63-A168 PolarHBondContact O-N 2.82Å; I63-Y169 PolarHBondContact O-N 2.82Å
64V81.9Confident85.4Confident25 Ų2546.2 Ų46.215%0.15223%0.227CC..  trans-103-21.3-177.4-61.70000113.1E41 H42 P43 R62 A168E41-V64 HydrophobicContact CG-CG1 4.06Å; E41-V64 HydrophobicContact CG-CG2 3.96Å; H42-V64 WeakPolarHBondContact O-CG2 3.23Å; P43-V64 HydrophobicContact CB-CG2 3.82Å; P43-V64 HydrophobicContact CG-CG2 4.06Å; R62-V64 HydrophobicContact CG-CG1 3.76Å; V64-A168 HydrophobicContact CG1-CB 4.29Å
65E75.5Confident85.5Confident85 Ų8544.6 Ų44.640%0.39722%0.218SC..  trans-144.7160.3179.5-163.9172.1-178.200111.7H42 P43H42-E65 WeakPolarHBondContact O-CB 3.43Å; H42-E65 PolarHBondContact O-N 2.83Å; P43-E65 VanDerWaalsContact O-OE2 3.1Å
66H66.8Low85.7Confident28 Ų2844.8 Ų44.813%0.1322%0.218CC..  trans-118.9114.4166.9178.463000109.9L70 V138 K139 Y169H66-L70 WeakPolarHBondContact CE1-CD2 3.35Å; H66-V138 HydrophobicContact CB-CG1 4.21Å; H66-K139 WeakPolarHBondContact CD2-CE 3.47Å; H66-K139 WeakPolarHBondContact NE2-CE 3.29Å; H66-K139 PolarHBondContact NE2-NZ 2.75Å; H66-Y169 HydrophobicContact CB-CD1 4.25Å; H66-Y169 HydrophobicContact CB-CD2 4.43Å; H66-Y169 HydrophobicContact CB-CE1 3.68Å; H66-Y169 HydrophobicContact CB-CE2 3.91Å
67L62Low86.1Confident81 Ų8139.4 Ų39.442%0.42420%0.195SC..  trans-85.4171.1164.2-68.1-174.4000110.7G44 E69G44-L67 WeakPolarHBondContact O-CD1 3.45Å; L67-E69 PolarHBondContact O-N 3.34Å
68N66.5Low86.4Confident171 Ų17140.1 Ų40.191%0.91420%0.199SC*.SBendtrans-48-27.3179.8-67.8-24.6000114.9
69E76.3Confident86.4Confident146 Ų14639.8 Ų39.868%0.68220%0.197SC*.SBendtrans-104.4135.9176.7-66.3179.4-175.100111.4L67L67-E69 PolarHBondContact O-N 3.34Å
70L81.4Confident86.3Confident66 Ų6640.1 Ų40.135%0.34620%0.2SC..  trans-72.5139.4176.3-65.1169.9000110.7H66 R135 L136H66-L70 WeakPolarHBondContact CE1-CD2 3.35Å; L70-R135 HydrophobicContact CB-CB 4.44Å; L70-L136 WeakPolarHBondContact CD2-O 3.4Å
71P85.8Confident86.2Confident20 Ų2042.8 Ų42.813%0.1322%0.22CC..  trans-65.5141.6177.626.4-30.8000110.9L136 V138P71-L136 HydrophobicContact CG-CB 4.19Å; P71-L136 HydrophobicContact CG-CD1 4.41Å; P71-L136 PolarHBondContact O-N 3.36Å; P71-V138 HydrophobicContact CG-CG2 3.92Å
72V89.8Confident86.2Confident42 Ų4243 Ų4326%0.25522%0.221SC..EExtended strand (participates in β ladder)trans-105.2122.3179.8-171.90000108.7L48 I49 S134 R135L48-V72 HydrophobicContact CD1-CB 3.46Å; L48-V72 VanDerWaalsContact CD1-CB 3.46Å; L48-V72 HydrophobicContact CD1-CG1 3.26Å; I49-V72 PolarHBondContact N-O 3.34Å; V72-S134 WeakPolarHBondContact CA-O 3.46Å; V72-R135 HydrophobicContact CG2-CG 4.13Å
73L93.1Very high86.2Confident0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-105.9126.7174.4174.760.3000109.8I49 I51 I61 I75 F120 S133 S134 L136 I165I49-L73 HydrophobicContact CB-CD1 3.97Å; I49-L73 HydrophobicContact CG2-CD1 3.79Å; I51-L73 HydrophobicContact CD1-CD1 4.27Å; I61-L73 HydrophobicContact CD1-CD1 3.71Å; I61-L73 HydrophobicContact CD1-CD2 4.27Å; L73-I75 HydrophobicContact CD1-CG1 4.27Å; L73-I75 HydrophobicContact CD2-CD1 4.19Å; L73-I75 HydrophobicContact CD2-CG1 4.31Å; L73-I75 HydrophobicContact CG-CD1 4.47Å; L73-I75 HydrophobicContact CG-CG1 4.06Å; L73-F120 HydrophobicContact CD2-CE1 4.37Å; L73-F120 HydrophobicContact CD2-CZ 4.37Å; L73-S133 CarbonylContact O-C 3.56Å; L73-S133 WeakPolarHBondContact O-CA 3.38Å; L73-S134 PolarHBondContact N-O 3.39Å; L73-S134 PolarHBondContact O-N 3.48Å; L73-L136 HydrophobicContact CB-CD1 4.24Å; L73-L136 HydrophobicContact CB-CD2 4.24Å; L73-L136 HydrophobicContact CB-CG 4.25Å; L73-L136 HydrophobicContact CD2-CD2 4.33Å; L73-I165 HydrophobicContact CD2-CD1 3.89Å
74R95.7Very high86.2Confident93 Ų9347.3 Ų47.335%0.35125%0.251SS..EExtended strand (participates in β ladder)trans-116.9126.7168.2-60.5-166.3-175.6153-1.9111L48 I49 E50 I51 T131 F132 S133L48-R74 HydrophobicContact CD1-CG 3.82Å; L48-R74 HydrophobicContact CD2-CG 4.35Å; L48-R74 HydrophobicContact CG-CG 4.3Å; I49-R74 PolarHBondContact O-N 2.83Å; E50-R74 HydrophobicContact CG-CB 4.23Å; E50-R74 WeakPolarHBondContact OE1-CD 3.37Å; E50-R74 IonicContact OE1-CZ 3.53Å; E50-R74 IonicContact OE1-NH1 3.8Å; E50-R74 PolarHBondContact OE1-NH1 2.85Å; I51-R74 PolarHBondContact N-O 3.26Å; R74-T131 HydrophobicContact CB-CG2 4.38Å; R74-F132 CarbonylContact C-O 3.52Å; R74-F132 VanDerWaalsContact CA-O 3.29Å; R74-F132 WeakPolarHBondContact CA-O 3.1Å; R74-S133 WeakPolarHBondContact CG-OG 3.31Å
75I97.6Very high86.5Confident2 Ų250 Ų501%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-112.7107.7176.4-51.3174.9000107I51 L73 L93 F120 T131 F132 I163I51-I75 CarbonylContact O-C 3.32Å; I51-I75 WeakPolarHBondContact O-CA 3.22Å; L73-I75 HydrophobicContact CD1-CG1 4.27Å; L73-I75 HydrophobicContact CD2-CD1 4.19Å; L73-I75 HydrophobicContact CD2-CG1 4.31Å; L73-I75 HydrophobicContact CG-CD1 4.47Å; L73-I75 HydrophobicContact CG-CG1 4.06Å; I75-L93 HydrophobicContact CD1-CD1 4.02Å; I75-F120 HydrophobicContact CD1-CE1 3.96Å; I75-F120 HydrophobicContact CD1-CZ 4.32Å; I75-T131 WeakPolarHBondContact O-CA 3.42Å; I75-F132 HydrophobicContact CB-CB 4.4Å; I75-F132 PolarHBondContact N-O 3.43Å; I75-F132 PolarHBondContact O-N 2.94Å; I75-I163 HydrophobicContact CB-CD1 4.36Å; I75-I163 HydrophobicContact CD1-CD1 3.94Å; I75-I163 HydrophobicContact CG1-CD1 3.79Å; I75-I163 HydrophobicContact CG2-CD1 3.78Å
76H98.1Very high87.3Confident12 Ų1247.2 Ų47.26%0.05625%0.254CS..EExtended strand (participates in β ladder)trans-91.6106.6-178.8-57.4-84.8000110.5V30 E50 I51 D52 A53 I78 T131V30-H76 HydrophobicContact CB-CB 4.5Å; V30-H76 HydrophobicContact CG2-CB 3.71Å; E50-H76 IonicContact OE1-CE1 3.72Å; E50-H76 IonicContact OE1-NE2 3.85Å; E50-H76 PolarHBondContact OE1-NE2 3.18Å; I51-H76 PolarHBondContact O-CD2 2.99Å; I51-H76 PolarHBondContact O-N 2.97Å; D52-H76 CarbonylContact C-O 3.55Å; D52-H76 VanDerWaalsContact CA-O 3.28Å; D52-H76 WeakPolarHBondContact CA-O 3.44Å; D52-H76 HydrophobicContact CB-CB 3.75Å; A53-H76 PolarHBondContact N-O 2.92Å; H76-I78 HydrophobicContact CB-CG1 4.37Å; H76-T131 VanDerWaalsContact ND1-CG2 3.27Å; H76-T131 WeakPolarHBondContact ND1-CG2 3.4Å; H76-T131 PolarHBondContact ND1-OG1 3.08Å
77C98.2Very high88.6Confident0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-113.768.7178.1-63.10000108.5F27 A53 Y130 F132 C149 Y151F27-C77 HydrophobicContact CE1-CB 4.32Å; A53-C77 HydrophobicContact CB-CB 4.39Å; C77-Y130 CarbonylContact C-O 3.51Å; C77-Y130 WeakPolarHBondContact CA-O 3.32Å; C77-Y130 PolarHBondContact N-O 3.35Å; C77-Y130 PolarHBondContact O-N 3.47Å; C77-F132 HydrophobicContact CB-CE2 4.41Å; C77-C149 HydrophobicContact CB-CB 3.58Å; C77-C149 WeakPolarHBondContact CB-SG 3.35Å; C77-C149 WeakPolarHBondContact SG-CB 3.5Å; C77-C149 CovalentContact SG-SG 1.99Å; C77-C149 PolarHBondContact SG-SG 3.36Å; C77-Y151 HydrophobicContact CB-CE1 4.18Å; C77-Y151 HydrophobicContact CB-CE2 4.17Å; C77-Y151 WeakPolarHBondContact CB-OH 3.39Å; C77-Y151 WeakPolarHBondContact O-CE2 2.95Å; C77-Y151 PolarHBondContact O-OH 2.64Å
78I97.5Very high90.2Very high35 Ų3545.9 Ų45.918%0.17925%0.246CC..EExtended strand (participates in β ladder)trans-97.9133.9-176.8-53-54.3000108.6F27 I28 V30 H76 A128F27-I78 VanDerWaalsContact CA-O 3.31Å; F27-I78 WeakPolarHBondContact CA-O 3.48Å; I28-I78 HydrophobicContact CD1-CG2 3.8Å; I28-I78 HydrophobicContact CG1-CB 4.2Å; I28-I78 HydrophobicContact CG1-CG2 3.72Å; I28-I78 PolarHBondContact N-O 2.88Å; V30-I78 HydrophobicContact CG2-CB 4.34Å; V30-I78 HydrophobicContact CG2-CG1 3.92Å; H76-I78 HydrophobicContact CB-CG1 4.37Å; I78-A128 WeakPolarHBondContact CA-O 3.06Å; I78-A128 WeakPolarHBondContact CG2-O 3.43Å
79V95.2Very high91.6Very high1 Ų142 Ų421%0.00623%0.229CC..BIsolated β-bridgetrans-111.1159.9177-65.20000110.7Q26 F27 L82 L88 A128 Y151Q26-V79 CarbonylContact O-C 3.58Å; Q26-V79 WeakPolarHBondContact O-CA 3.48Å; Q26-V79 WeakPolarHBondContact O-CB 3.42Å; F27-V79 HydrophobicContact CD1-CG1 3.66Å; F27-V79 HydrophobicContact CE1-CG1 3.89Å; V79-L82 HydrophobicContact CG2-CD1 4.1Å; V79-L82 HydrophobicContact CG2-CG 4.32Å; V79-L88 HydrophobicContact CG2-CD1 4.38Å; V79-A128 PolarHBondContact N-O 2.81Å; V79-Y151 HydrophobicContact CG1-CD2 3.94Å; V79-Y151 HydrophobicContact CG1-CE2 4.33Å
80A90.4Very high92.6Very high9 Ų935.5 Ų35.57%0.07420%0.199CC..SBendtrans-53.1137.2169.100000109.8E22 Q26 I28 L82E22-A80 HydrophobicContact CB-CB 4.23Å; E22-A80 HydrophobicContact CG-CB 3.93Å; Q26-A80 PolarHBondContact O-N 2.85Å; I28-A80 HydrophobicContact CG2-CB 3.95Å; A80-L82 PolarHBondContact O-N 3.23Å; A80-L82 VanDerWaalsContact O-N 3.09Å
81P90.3Very high93.4Very high71 Ų7132.4 Ų32.446%0.46118%0.183SC..PPolyproline II helixtrans-56.1117.3-173.4-26.934.6000112.4R21 E22R21-P81 CarbonylContact C-O 3.51Å; R21-P81 WeakPolarHBondContact CA-O 3.45Å; E22-P81 PolarHBondContact N-O 3.13Å
82L92Very high94Very high4 Ų435.2 Ų35.22%0.02119%0.192CC..BIsolated β-bridgetrans-84.4150.7-175.4-61.1169.1000112E22 L25 V79 A80 L88 S127E22-L82 CarbonylContact O-C 3.59Å; E22-L82 VanDerWaalsContact O-CA 3.23Å; E22-L82 WeakPolarHBondContact O-CA 3.46Å; L25-L82 HydrophobicContact CD2-CD1 3.85Å; L25-L82 HydrophobicContact CD2-CD2 4.28Å; V79-L82 HydrophobicContact CG2-CD1 4.1Å; V79-L82 HydrophobicContact CG2-CG 4.32Å; A80-L82 PolarHBondContact O-N 3.23Å; A80-L82 VanDerWaalsContact O-N 3.09Å; L82-L88 HydrophobicContact CD1-CD2 4.37Å; L82-L88 HydrophobicContact CD1-CG 3.95Å; L82-S127 WeakPolarHBondContact CB-O 3.5Å; L82-S127 PolarHBondContact N-O 2.98Å
83D88.4Confident94.4Very high20 Ų2033.2 Ų33.211%0.10718%0.18CC..PPolyproline II helixtrans-72.2160169.982.246.8000112.3R21 E22 Q23 T85 H86 E87R21-D83 HydrophobicContact CB-CB 3.66Å; E22-D83 PolarHBondContact O-N 3.43Å; Q23-D83 WeakPolarHBondContact CG-OD2 3.48Å; Q23-D83 PolarHBondContact NE2-OD2 3.37Å; Q23-D83 VanDerWaalsContact NE2-OD2 3.1Å; D83-T85 PolarHBondContact O-N 3Å; D83-T85 VanDerWaalsContact O-N 3.08Å; D83-T85 VanDerWaalsContact OD1-CA 3.29Å; D83-T85 WeakPolarHBondContact OD1-CA 3.29Å; D83-T85 WeakPolarHBondContact OD1-CB 3.28Å; D83-T85 PolarHBondContact OD1-N 3.42Å; D83-T85 PolarHBondContact OD1-OG1 3.31Å; D83-H86 CarbonylContact O-C 3.5Å; D83-H86 PolarHBondContact O-N 2.92Å; D83-H86 VanDerWaalsContact O-N 3.09Å; D83-H86 IonicContact OD1-CE1 2.78Å; D83-H86 IonicContact OD1-CG 3.31Å; D83-H86 PolarHBondContact OD1-N 3.27Å; D83-H86 IonicContact OD1-ND1 3.62Å; D83-H86 PolarHBondContact OD1-ND1 2.94Å; D83-H86 IonicContact OD2-CE1 3.39Å; D83-H86 IonicContact OD2-CG 3.12Å; D83-H86 IonicContact OD2-ND1 3.63Å; D83-H86 PolarHBondContact OD2-ND1 3.48Å; D83-E87 WeakPolarHBondContact O-CG 3.22Å; D83-E87 PolarHBondContact O-N 3.41Å
84S88.4Confident94.7Very high82 Ų8233.2 Ų33.257%0.57318%0.18SC*.THydrogen-bonded Turntrans-65.4-14.4-174.550.60000114.2
85T88.2Confident94.7Very high82 Ų8230.1 Ų30.150%0.50317%0.168SC..THydrogen-bonded Turntrans-96.9-14177.961.70000113.3D83D83-T85 PolarHBondContact O-N 3Å; D83-T85 VanDerWaalsContact O-N 3.08Å; D83-T85 VanDerWaalsContact OD1-CA 3.29Å; D83-T85 WeakPolarHBondContact OD1-CA 3.29Å; D83-T85 WeakPolarHBondContact OD1-CB 3.28Å; D83-T85 PolarHBondContact OD1-N 3.42Å; D83-T85 PolarHBondContact OD1-OG1 3.31Å
86H91Very high94.6Very high26 Ų2632.5 Ų32.512%0.1218%0.177CC..SBendtrans-122.820.1-177.5-6094.7000113.6Q23 D83 N153 N155Q23-H86 HydrophobicContact CB-CB 4.48Å; D83-H86 CarbonylContact O-C 3.5Å; D83-H86 PolarHBondContact O-N 2.92Å; D83-H86 VanDerWaalsContact O-N 3.09Å; D83-H86 IonicContact OD1-CE1 2.78Å; D83-H86 IonicContact OD1-CG 3.31Å; D83-H86 PolarHBondContact OD1-N 3.27Å; D83-H86 IonicContact OD1-ND1 3.62Å; D83-H86 PolarHBondContact OD1-ND1 2.94Å; D83-H86 IonicContact OD2-CE1 3.39Å; D83-H86 IonicContact OD2-CG 3.12Å; D83-H86 IonicContact OD2-ND1 3.63Å; D83-H86 PolarHBondContact OD2-ND1 3.48Å; H86-N153 PolarHBondContact O-ND2 3.27Å; H86-N155 PolarHBondContact CD2-ND2 2.85Å
87E94.3Very high94.2Very high75 Ų7538.6 Ų38.635%0.3520%0.203SC..  trans-55.6158.5173.1-58.6-168155.900112.4D83 V89 R126 S127D83-E87 WeakPolarHBondContact O-CG 3.22Å; D83-E87 PolarHBondContact O-N 3.41Å; E87-V89 PolarHBondContact O-N 3.22Å; E87-R126 HydrophobicContact CB-CB 4.07Å; E87-S127 PolarHBondContact OE1-OG 3.47Å
88L96.5Very high93.6Very high7 Ų740.6 Ų40.64%0.03722%0.217CC..  trans-58.1122.5176.5-68.1167.8000111.1L25 V79 L82 A91 R126 Y151 H152L25-L88 HydrophobicContact CD1-CD2 4.19Å; L25-L88 HydrophobicContact CD2-CD2 3.48Å; L25-L88 VanDerWaalsContact CD2-CD2 3.48Å; L25-L88 HydrophobicContact CD2-CG 4.47Å; V79-L88 HydrophobicContact CG2-CD1 4.38Å; L82-L88 HydrophobicContact CD1-CD2 4.37Å; L82-L88 HydrophobicContact CD1-CG 3.95Å; L88-A91 HydrophobicContact CD1-CB 4.1Å; L88-R126 HydrophobicContact CB-CB 4.28Å; L88-R126 VanDerWaalsContact CB-O 3.32Å; L88-R126 WeakPolarHBondContact CB-O 3.02Å; L88-R126 VanDerWaalsContact CG-O 3.28Å; L88-R126 WeakPolarHBondContact CG-O 3.32Å; L88-R126 PolarHBondContact N-O 2.96Å; L88-R126 VanDerWaalsContact O-CD 3.28Å; L88-R126 WeakPolarHBondContact O-CD 3.43Å; L88-Y151 HydrophobicContact CD1-CD2 3.51Å; L88-Y151 HydrophobicContact CD1-CE2 3.69Å; L88-Y151 HydrophobicContact CD1-CG 4.28Å; L88-Y151 HydrophobicContact CD2-CD2 3.84Å; L88-Y151 HydrophobicContact CD2-CG 4.1Å; L88-Y151 HydrophobicContact CG-CD2 4.36Å; L88-H152 CarbonylContact C-O 3.34Å
89V96.2Very high92.9Very high89 Ų8940.2 Ų40.254%0.53922%0.216SC..SBendtrans-74-44.4169.3175.90000109E87 R126 H152E87-V89 PolarHBondContact O-N 3.22Å; V89-R126 PolarHBondContact O-NH2 3.27Å; V89-H152 PolarHBondContact N-O 2.71Å
90S96.8Very high92.3Very high10 Ų1047.3 Ų47.37%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-134.6152172.574.10000112.2Y92 D107 H152S90-Y92 WeakPolarHBondContact OG-CE2 3.44Å; S90-D107 VanDerWaalsContact CA-OD2 3.29Å; S90-D107 WeakPolarHBondContact CA-OD2 2.96Å; S90-H152 PolarHBondContact N-O 3.05Å; S90-H152 VanDerWaalsContact N-O 3.15Å; S90-H152 PolarHBondContact O-N 3.1Å; S90-H152 WeakPolarHBondContact OG-CB 3.38Å
91A97.8Very high92.2Very high0 Ų050.4 Ų50.40%026%0.264CS..EExtended strand (participates in β ladder)trans-146.967.2-174.400000109L88 D107 P108 Y130 Y151L88-A91 HydrophobicContact CD1-CB 4.1Å; A91-D107 PolarHBondContact N-OD2 3.17Å; A91-P108 WeakPolarHBondContact O-CD 3.43Å; A91-Y130 HydrophobicContact CB-CD2 3.79Å; A91-Y130 HydrophobicContact CB-CE2 3.7Å; A91-Y151 VanDerWaalsContact CA-CD1 3.41Å; A91-Y151 HydrophobicContact CB-CD1 3.9Å; A91-Y151 HydrophobicContact CB-CE1 3.65Å; A91-Y151 HydrophobicContact CB-CE2 4.39Å; A91-Y151 HydrophobicContact CB-CG 4.36Å
92Y98.5Very high92.3Very high80 Ų8052.1 Ų52.131%0.31428%0.278SS..EExtended strand (participates in β ladder)trans-77.7136.7-173.2-61.2-71.7000111.2S90 C105 I106 D107 C149 K150S90-Y92 WeakPolarHBondContact OG-CE2 3.44Å; Y92-C105 HydrophobicContact CD1-CB 3.91Å; Y92-C105 HydrophobicContact CG-CB 3.9Å; Y92-I106 WeakPolarHBondContact CA-O 3.31Å; Y92-D107 HydrophobicContact CD1-CB 3.67Å; Y92-D107 HydrophobicContact CE1-CB 3.57Å; Y92-C149 WeakPolarHBondContact O-CA 3.36Å; Y92-K150 WeakPolarHBondContact CB-O 3.46Å; Y92-K150 PolarHBondContact N-O 2.98Å; Y92-K150 PolarHBondContact O-N 2.88Å
93L98.7Very high92.4Very high0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-88.6132.1147.4-175.364.9000106.8I75 C105 I106 V113 F115 F120 F132I75-L93 HydrophobicContact CD1-CD1 4.02Å; L93-C105 WeakPolarHBondContact O-CA 3.34Å; L93-I106 PolarHBondContact N-O 3.03Å; L93-I106 PolarHBondContact O-N 3.21Å; L93-V113 HydrophobicContact CB-CG1 3.99Å; L93-V113 HydrophobicContact CD2-CG1 3.77Å; L93-V113 HydrophobicContact CG-CG1 4.38Å; L93-F115 HydrophobicContact CD2-CE2 3.98Å; L93-F115 HydrophobicContact CG-CE2 4.04Å; L93-F115 WeakPolarHBondContact O-CZ 3.38Å; L93-F120 HydrophobicContact CD2-CB 4.2Å; L93-F120 HydrophobicContact CD2-CD1 3.89Å; L93-F120 HydrophobicContact CD2-CD2 3.75Å; L93-F120 HydrophobicContact CD2-CE1 4.16Å; L93-F120 HydrophobicContact CD2-CE2 4.03Å; L93-F120 HydrophobicContact CD2-CG 3.68Å; L93-F120 HydrophobicContact CD2-CZ 4.23Å; L93-F132 HydrophobicContact CB-CD1 4.1Å; L93-F132 HydrophobicContact CB-CD2 4.26Å; L93-F132 HydrophobicContact CB-CE1 3.93Å; L93-F132 HydrophobicContact CB-CE2 4.1Å; L93-F132 HydrophobicContact CB-CG 4.26Å; L93-F132 HydrophobicContact CB-CZ 3.93Å; L93-F132 HydrophobicContact CD1-CD2 4.2Å; L93-F132 HydrophobicContact CD1-CG 4.45Å; L93-F132 HydrophobicContact CD2-CB 3.98Å; L93-F132 HydrophobicContact CD2-CD1 4.05Å; L93-F132 HydrophobicContact CD2-CD2 4.45Å; L93-F132 HydrophobicContact CD2-CG 3.91Å; L93-F132 HydrophobicContact CG-CG 4.44Å
94C98.4Very high92.8Very high0 Ų057.3 Ų57.30%030%0.303CS..EExtended strand (participates in β ladder)trans-118.2148.1-179.5-59.90000110.7E104 C105 Y147 F148C94-E104 CarbonylContact C-O 3.59Å; C94-E104 VanDerWaalsContact CA-O 3.23Å; C94-E104 WeakPolarHBondContact CA-O 3.32Å; C94-C105 HydrophobicContact CB-CB 4.16Å; C94-C105 WeakPolarHBondContact CB-SG 3.37Å; C94-C105 WeakPolarHBondContact SG-CB 3.27Å; C94-C105 CovalentContact SG-SG 2.05Å; C94-C105 PolarHBondContact SG-SG 2.8Å; C94-Y147 WeakPolarHBondContact O-CA 3.46Å; C94-F148 HydrophobicContact CB-CD1 4.24Å; C94-F148 HydrophobicContact CB-CD2 3.99Å; C94-F148 HydrophobicContact CB-CE1 3.79Å; C94-F148 HydrophobicContact CB-CE2 3.53Å; C94-F148 HydrophobicContact CB-CG 4.33Å; C94-F148 HydrophobicContact CB-CZ 3.42Å; C94-F148 VanDerWaalsContact CB-CZ 3.42Å; C94-F148 PolarHBondContact N-O 3.45Å; C94-F148 PolarHBondContact O-N 2.93Å; C94-F148 VanDerWaalsContact O-N 3.07Å
95R97.3Very high93.3Very high28 Ų2855.2 Ų55.211%0.10629%0.289CS..EExtended strand (participates in β ladder)trans-123139.1171.1-176.5-175.568.4171.2-1.4109.9E104 F115 F146 Y147R95-E104 IonicContact CZ-OE2 3.11Å; R95-E104 PolarHBondContact N-O 3.09Å; R95-E104 IonicContact NE-OE2 2.81Å; R95-E104 PolarHBondContact NE-OE2 3.18Å; R95-E104 IonicContact NH2-OE1 2.9Å; R95-E104 IonicContact NH2-OE2 3.36Å; R95-E104 PolarHBondContact NH2-OE2 3.24Å; R95-E104 PolarHBondContact O-N 2.99Å; R95-F115 HydrophobicContact CB-CD1 3.69Å; R95-F115 HydrophobicContact CB-CD2 4.22Å; R95-F115 HydrophobicContact CB-CE1 3.72Å; R95-F115 HydrophobicContact CB-CE2 4.24Å; R95-F115 HydrophobicContact CB-CG 3.94Å; R95-F115 HydrophobicContact CB-CZ 4Å; R95-F115 PolarHBondContact NH1-O 3.33Å; R95-F146 CarbonylContact C-O 3.55Å; R95-F146 VanDerWaalsContact CA-O 3.28Å; R95-F146 WeakPolarHBondContact CA-O 3.48Å; R95-Y147 HydrophobicContact CB-CD1 4.19Å; R95-Y147 HydrophobicContact CB-CE1 4.05Å; R95-Y147 HydrophobicContact CG-CD1 4.27Å; R95-Y147 HydrophobicContact CG-CE1 3.83Å
96R94.1Very high93.8Very high51 Ų5151.6 Ų51.619%0.19227%0.266CS..EExtended strand (participates in β ladder)trans-126.3133168.2-163.8-172.9-73.5-154.9-10.9109.7S98 T99 D101 D103 G145 F146 F148R96-S98 WeakPolarHBondContact CD-O 3.33Å; R96-S98 WeakPolarHBondContact CG-O 3.29Å; R96-T99 PolarHBondContact NH1-O 3.01Å; R96-D101 WeakPolarHBondContact CD-O 3.25Å; R96-D101 HydrophobicContact CG-CB 4.07Å; R96-D101 WeakPolarHBondContact CG-O 3.37Å; R96-D101 PolarHBondContact NE-O 3.46Å; R96-D103 IonicContact CZ-OD1 3.38Å; R96-D103 IonicContact NE-OD1 3.76Å; R96-D103 PolarHBondContact NE-OD1 2.93Å; R96-D103 IonicContact NH2-OD1 3.76Å; R96-D103 PolarHBondContact NH2-OD1 3.04Å; R96-D103 IonicContact NH2-OD2 3.34Å; R96-D103 PolarHBondContact NH2-OD2 3.46Å; R96-G145 CarbonylContact O-C 3.59Å; R96-G145 WeakPolarHBondContact O-CA 3.45Å; R96-F146 HydrophobicContact CB-CB 4.3Å; R96-F146 PolarHBondContact N-O 3.08Å; R96-F146 PolarHBondContact O-N 3.35Å; R96-F148 HydrophobicContact CB-CE1 4.46Å
97K89.8Confident94.1Very high141 Ų14150.5 Ų50.561%0.61326%0.261SS*.SBendtrans-75.8-41.9-176.5-68.9177.9-177.9177.40112.6D101K97-D101 VanDerWaalsContact CB-OD2 3.29Å; K97-D101 WeakPolarHBondContact CB-OD2 3.21Å
98S86.1Confident94.3Very high41 Ų4148.3 Ų48.329%0.28725%0.254SS..SBendtrans-133.9163.4175.1-179.20000110.4R96 H100 D101R96-S98 WeakPolarHBondContact CD-O 3.33Å; R96-S98 WeakPolarHBondContact CG-O 3.29Å; S98-H100 PolarHBondContact O-N 3Å; S98-D101 WeakPolarHBondContact CB-OD2 3.46Å; S98-D101 PolarHBondContact N-OD2 3.3Å; S98-D101 PolarHBondContact O-N 3.46Å; S98-D101 VanDerWaalsContact O-N 3.1Å
99T81.8Confident94.2Very high27 Ų2755.2 Ų55.217%0.16628%0.283CS..THydrogen-bonded Turntrans-55.4-26.2177.446.30000113.6R96 F146 E511R96-T99 PolarHBondContact NH1-O 3.01Å; T99-F146 HydrophobicContact CG2-CE1 4.33Å; T99-F146 HydrophobicContact CG2-CE2 3.97Å; T99-F146 HydrophobicContact CG2-CZ 3.69Å; T99-E511 PolarHBondContact OG1-O 3.5Å
100H83.6Confident94Very high151 Ų15155.9 Ų55.970%0.69929%0.288SS*.THydrogen-bonded Turntrans-96.6-8.2-177.1-56.286.7000114.6S98S98-H100 PolarHBondContact O-N 3Å
101D88.3Confident93.9Very high74 Ų7462.3 Ų62.340%0.39631%0.31SS..SBendtrans-82.5164-177.4-66.9-34.7000112.1R96 K97 S98R96-D101 WeakPolarHBondContact CD-O 3.25Å; R96-D101 HydrophobicContact CG-CB 4.07Å; R96-D101 WeakPolarHBondContact CG-O 3.37Å; R96-D101 PolarHBondContact NE-O 3.46Å; K97-D101 VanDerWaalsContact CB-OD2 3.29Å; K97-D101 WeakPolarHBondContact CB-OD2 3.21Å; S98-D101 WeakPolarHBondContact CB-OD2 3.46Å; S98-D101 PolarHBondContact N-OD2 3.3Å; S98-D101 PolarHBondContact O-N 3.46Å; S98-D101 VanDerWaalsContact O-N 3.1Å
102S92.4Very high93.8Very high107 Ų10767.7 Ų67.775%0.74834%0.339SS*.PPolyproline II helixtrans-73.4156.5173.159.60000112.5
103D94.9Very high93.8Very high63 Ų6364 Ų6434%0.33733%0.325SS..PPolyproline II helixtrans-78.3130.8177.9-60.9-34.3000112.2R96 F148R96-D103 IonicContact CZ-OD1 3.38Å; R96-D103 IonicContact NE-OD1 3.76Å; R96-D103 PolarHBondContact NE-OD1 2.93Å; R96-D103 IonicContact NH2-OD1 3.76Å; R96-D103 PolarHBondContact NH2-OD1 3.04Å; R96-D103 IonicContact NH2-OD2 3.34Å; R96-D103 PolarHBondContact NH2-OD2 3.46Å; D103-F148 HydrophobicContact CB-CZ 4.31Å; D103-F148 WeakPolarHBondContact OD1-CZ 3.41Å
104E96.5Very high93.7Very high69 Ų6967.1 Ų67.132%0.32234%0.341SS..EExtended strand (participates in β ladder)trans-101.6108.1166.9-173.4-173.617800108.5C94 R95 F115C94-E104 CarbonylContact C-O 3.59Å; C94-E104 VanDerWaalsContact CA-O 3.23Å; C94-E104 WeakPolarHBondContact CA-O 3.32Å; R95-E104 IonicContact CZ-OE2 3.11Å; R95-E104 PolarHBondContact N-O 3.09Å; R95-E104 IonicContact NE-OE2 2.81Å; R95-E104 PolarHBondContact NE-OE2 3.18Å; R95-E104 IonicContact NH2-OE1 2.9Å; R95-E104 IonicContact NH2-OE2 3.36Å; R95-E104 PolarHBondContact NH2-OE2 3.24Å; R95-E104 PolarHBondContact O-N 2.99Å; E104-F115 HydrophobicContact CB-CE1 4.27Å; E104-F115 HydrophobicContact CG-CD1 4.11Å; E104-F115 HydrophobicContact CG-CE1 3.91Å; E104-F115 VanDerWaalsContact O-CE1 3.25Å; E104-F115 WeakPolarHBondContact O-CE1 3.44Å
105C98Very high93.5Very high39 Ų3967.1 Ų67.126%0.26434%0.341SS..EExtended strand (participates in β ladder)trans-115.6135.9-173.4-660000111.8Y92 L93 C94Y92-C105 HydrophobicContact CD1-CB 3.91Å; Y92-C105 HydrophobicContact CG-CB 3.9Å; L93-C105 WeakPolarHBondContact O-CA 3.34Å; C94-C105 HydrophobicContact CB-CB 4.16Å; C94-C105 WeakPolarHBondContact CB-SG 3.37Å; C94-C105 WeakPolarHBondContact SG-CB 3.27Å; C94-C105 CovalentContact SG-SG 2.05Å; C94-C105 PolarHBondContact SG-SG 2.8Å
106I98.5Very high93.1Very high5 Ų568 Ų683%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-131127.4-180-51.6-178.5000110.2Y92 L93 R111 V113 I114 F115Y92-I106 WeakPolarHBondContact CA-O 3.31Å; L93-I106 PolarHBondContact N-O 3.03Å; L93-I106 PolarHBondContact O-N 3.21Å; I106-R111 HydrophobicContact CG2-CG 3.54Å; I106-V113 HydrophobicContact CB-CG1 4.31Å; I106-V113 HydrophobicContact CB-CG2 4.45Å; I106-V113 HydrophobicContact CG2-CB 4.42Å; I106-V113 HydrophobicContact CG2-CG2 4.08Å; I106-I114 WeakPolarHBondContact CD1-O 3.46Å; I106-F115 HydrophobicContact CB-CZ 4.46Å; I106-F115 HydrophobicContact CD1-CD1 4.07Å; I106-F115 HydrophobicContact CD1-CE1 3.72Å; I106-F115 HydrophobicContact CD1-CZ 4.1Å; I106-F115 HydrophobicContact CG1-CE1 3.82Å; I106-F115 HydrophobicContact CG1-CZ 4.04Å
107D98.1Very high93Very high3 Ų373 Ų732%0.01638%0.377CS..  trans-95.9123.7176.7-171.5-57.6000109.6S90 A91 Y92 K109 T110 R111 R126S90-D107 VanDerWaalsContact CA-OD2 3.29Å; S90-D107 WeakPolarHBondContact CA-OD2 2.96Å; A91-D107 PolarHBondContact N-OD2 3.17Å; Y92-D107 HydrophobicContact CD1-CB 3.67Å; Y92-D107 HydrophobicContact CE1-CB 3.57Å; D107-K109 PolarHBondContact O-N 3.14Å; D107-K109 VanDerWaalsContact O-N 3.13Å; D107-K109 VanDerWaalsContact OD1-CB 3.28Å; D107-K109 WeakPolarHBondContact OD1-CB 3.47Å; D107-K109 PolarHBondContact OD1-N 2.9Å; D107-T110 HydrophobicContact CB-CG2 4.08Å; D107-T110 PolarHBondContact O-N 2.82Å; D107-T110 PolarHBondContact O-OG1 2.93Å; D107-R111 PolarHBondContact O-N 2.71Å; D107-R126 IonicContact OD1-CZ 3.9Å; D107-R126 IonicContact OD1-NH1 4Å; D107-R126 PolarHBondContact OD1-NH1 3.24Å; D107-R126 IonicContact OD1-NH2 2.98Å; D107-R126 PolarHBondContact OD1-NH2 3.13Å; D107-R126 IonicContact OD2-CZ 2.92Å; D107-R126 VanDerWaalsContact OD2-CZ 3.23Å; D107-R126 IonicContact OD2-NH1 3.98Å; D107-R126 PolarHBondContact OD2-NH1 3.06Å; D107-R126 IonicContact OD2-NH2 3.96Å; D107-R126 PolarHBondContact OD2-NH2 3.17Å
108P97.3Very high93.1Very high30 Ų3066.4 Ų66.420%0.19535%0.349CS..THydrogen-bonded Turntrans-64.5-19.4-174.227.5-35.5000113.8A91 T110 V113 A122 Y130 F132A91-P108 WeakPolarHBondContact O-CD 3.43Å; P108-T110 VanDerWaalsContact C-N 3.31Å; P108-V113 HydrophobicContact CB-CG2 3.87Å; P108-A122 HydrophobicContact CB-CB 3.42Å; P108-A122 VanDerWaalsContact CB-CB 3.42Å; P108-A122 HydrophobicContact CG-CB 3.99Å; P108-Y130 HydrophobicContact CG-CD1 4.14Å; P108-Y130 HydrophobicContact CG-CD2 4.15Å; P108-Y130 HydrophobicContact CG-CE1 4.09Å; P108-Y130 HydrophobicContact CG-CE2 4.11Å; P108-Y130 HydrophobicContact CG-CG 4.18Å; P108-F132 HydrophobicContact CB-CE1 4.28Å; P108-F132 HydrophobicContact CG-CE1 3.93Å; P108-F132 HydrophobicContact CG-CZ 4.19Å
109K94.3Very high93.6Very high151 Ų15169.6 Ų69.666%0.65736%0.359SS*.THydrogen-bonded Turntrans-74.7-25174.3-169.7176.5176.2-178.30112.2D107 R126D107-K109 PolarHBondContact O-N 3.14Å; D107-K109 VanDerWaalsContact O-N 3.13Å; D107-K109 VanDerWaalsContact OD1-CB 3.28Å; D107-K109 WeakPolarHBondContact OD1-CB 3.47Å; D107-K109 PolarHBondContact OD1-N 2.9Å; K109-R126 VanDerWaalsContact CB-NH2 3.32Å
110T93.3Very high94.3Very high104 Ų10468.6 Ų68.664%0.63835%0.352SS*.THydrogen-bonded Turntrans-91.9-40.6-17563.80000112.6D107 P108D107-T110 HydrophobicContact CB-CG2 4.08Å; D107-T110 PolarHBondContact O-N 2.82Å; D107-T110 PolarHBondContact O-OG1 2.93Å; P108-T110 VanDerWaalsContact C-N 3.31Å
111R94.1Very high95Very high144 Ų14465 Ų6554%0.54334%0.344SS..SBendtrans-161.8165.4179.763.1-179.3-177.5169.80.7110.6I106 D107 V113I106-R111 HydrophobicContact CG2-CG 3.54Å; D107-R111 PolarHBondContact O-N 2.71Å; R111-V113 PolarHBondContact O-N 3.03Å
112N96.1Very high95.5Very high114 Ų11463.4 Ų63.461%0.6134%0.341SS*.  trans-58.2137.7172.9-65.1-2.8000110.7I114N112-I114 HydrophobicContact CB-CD1 3.94Å; N112-I114 HydrophobicContact CB-CG1 4.1Å; N112-I114 PolarHBondContact O-N 3.23Å; N112-I114 VanDerWaalsContact O-N 3.11Å
113V97.7Very high95.7Very high2 Ų264.5 Ų64.51%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-83.890.2-176.6-177.30000108.9L93 I106 P108 R111 F115 F120 F132L93-V113 HydrophobicContact CB-CG1 3.99Å; L93-V113 HydrophobicContact CD2-CG1 3.77Å; L93-V113 HydrophobicContact CG-CG1 4.38Å; I106-V113 HydrophobicContact CB-CG1 4.31Å; I106-V113 HydrophobicContact CB-CG2 4.45Å; I106-V113 HydrophobicContact CG2-CB 4.42Å; I106-V113 HydrophobicContact CG2-CG2 4.08Å; P108-V113 HydrophobicContact CB-CG2 3.87Å; R111-V113 PolarHBondContact O-N 3.03Å; V113-F115 HydrophobicContact CG1-CE2 3.85Å; V113-F115 HydrophobicContact CG1-CZ 4.38Å; V113-F120 HydrophobicContact CB-CB 4.06Å; V113-F120 HydrophobicContact CG1-CB 3.94Å; V113-F120 HydrophobicContact CG1-CD2 4.4Å; V113-F120 HydrophobicContact CG1-CG 4.5Å; V113-F120 PolarHBondContact O-N 3.25Å; V113-F132 HydrophobicContact CG2-CD1 4.42Å; V113-F132 HydrophobicContact CG2-CE1 4.09Å
114I96.6Very high95.8Very high66 Ų6663.3 Ų63.334%0.33834%0.342SS..EExtended strand (participates in β ladder)trans-125123.6-175.9-57.7173.3000109.6I106 N112 G116 V118 E119I106-I114 WeakPolarHBondContact CD1-O 3.46Å; N112-I114 HydrophobicContact CB-CD1 3.94Å; N112-I114 HydrophobicContact CB-CG1 4.1Å; N112-I114 PolarHBondContact O-N 3.23Å; N112-I114 VanDerWaalsContact O-N 3.11Å; I114-G116 WeakPolarHBondContact CG2-O 3.45Å; I114-V118 WeakPolarHBondContact CA-O 3.41Å; I114-E119 HydrophobicContact CD1-CG 4.43Å; I114-E119 HydrophobicContact CG1-CB 4.16Å; I114-E119 HydrophobicContact CG1-CG 3.95Å
115F94.5Very high95.7Very high0 Ų063.8 Ų63.80%035%0.346CS..EExtended strand (participates in β ladder)trans-11593.4176-66.9-63.5000109.6L93 R95 E104 I106 V113 R117 V118 F120 Y147L93-F115 HydrophobicContact CD2-CE2 3.98Å; L93-F115 HydrophobicContact CG-CE2 4.04Å; L93-F115 WeakPolarHBondContact O-CZ 3.38Å; R95-F115 HydrophobicContact CB-CD1 3.69Å; R95-F115 HydrophobicContact CB-CD2 4.22Å; R95-F115 HydrophobicContact CB-CE1 3.72Å; R95-F115 HydrophobicContact CB-CE2 4.24Å; R95-F115 HydrophobicContact CB-CG 3.94Å; R95-F115 HydrophobicContact CB-CZ 4Å; R95-F115 PolarHBondContact NH1-O 3.33Å; E104-F115 HydrophobicContact CB-CE1 4.27Å; E104-F115 HydrophobicContact CG-CD1 4.11Å; E104-F115 HydrophobicContact CG-CE1 3.91Å; E104-F115 VanDerWaalsContact O-CE1 3.25Å; E104-F115 WeakPolarHBondContact O-CE1 3.44Å; I106-F115 HydrophobicContact CB-CZ 4.46Å; I106-F115 HydrophobicContact CD1-CD1 4.07Å; I106-F115 HydrophobicContact CD1-CE1 3.72Å; I106-F115 HydrophobicContact CD1-CZ 4.1Å; I106-F115 HydrophobicContact CG1-CE1 3.82Å; I106-F115 HydrophobicContact CG1-CZ 4.04Å; V113-F115 HydrophobicContact CG1-CE2 3.85Å; V113-F115 HydrophobicContact CG1-CZ 4.38Å; F115-R117 PolarHBondContact O-N 2.62Å; F115-V118 PolarHBondContact N-O 3.27Å; F115-V118 PolarHBondContact O-N 3Å; F115-V118 VanDerWaalsContact O-N 3.11Å; F115-F120 HydrophobicContact CD2-CD2 4.21Å; F115-F120 HydrophobicContact CD2-CE2 4.16Å; F115-Y147 HydrophobicContact CD2-CD1 4.4Å; F115-Y147 AromaticContact CD2-CE1 3.93Å; F115-Y147 HydrophobicContact CD2-CE1 3.93Å; F115-Y147 HydrophobicContact CE2-CE1 4.48Å; F115-Y147 HydrophobicContact CG-CE1 4.48Å
116G90.2Very high95.6Very high45 Ų4563 Ų6346%0.46434%0.338SS..THydrogen-bonded Turntrans69.4-111.8-169.400000110.8I114 E141I114-G116 WeakPolarHBondContact CG2-O 3.45Å; G116-E141 VanDerWaalsContact CA-OE1 3.23Å; G116-E141 WeakPolarHBondContact CA-OE1 3.29Å
117R90.5Very high95.4Very high158 Ų15864.2 Ų64.260%0.59635%0.347SS*.THydrogen-bonded Turntrans-103.1-3.7171-50.7-173.7175.7-161.40.2113.3F115 E119 P137 E141F115-R117 PolarHBondContact O-N 2.62Å; R117-E119 PolarHBondContact O-N 3.06Å; R117-P137 HydrophobicContact CB-CG 4.33Å; R117-E141 WeakPolarHBondContact CA-OE2 3.47Å; R117-E141 WeakPolarHBondContact CB-OE2 3.26Å; R117-E141 HydrophobicContact CG-CB 4.49Å; R117-E141 VanDerWaalsContact N-CD 3.32Å; R117-E141 PolarHBondContact N-OE1 3.28Å; R117-E141 PolarHBondContact N-OE2 3.37Å
118V92.9Very high95.2Very high1 Ų165.7 Ų65.71%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-79.1103.7175.9-168.80000109.5I114 F115 F120 L136 P137 L143I114-V118 WeakPolarHBondContact CA-O 3.41Å; F115-V118 PolarHBondContact N-O 3.27Å; F115-V118 PolarHBondContact O-N 3Å; F115-V118 VanDerWaalsContact O-N 3.11Å; V118-F120 HydrophobicContact CB-CE2 4.49Å; V118-F120 HydrophobicContact CG1-CD2 4.14Å; V118-F120 HydrophobicContact CG1-CE2 3.5Å; V118-F120 HydrophobicContact CG1-CZ 4.09Å; V118-L136 HydrophobicContact CG1-CD2 4.01Å; V118-P137 HydrophobicContact CG2-CG 4.11Å; V118-L143 HydrophobicContact CG2-CD2 3.41Å; V118-L143 VanDerWaalsContact CG2-CD2 3.41Å
119E95.1Very high95.2Very high109 Ų10964.3 Ų64.351%0.50935%0.351SS..EExtended strand (participates in β ladder)trans-98.3125.9178.6179.9169.5-152.700111.3I114 R117 S134I114-E119 HydrophobicContact CD1-CG 4.43Å; I114-E119 HydrophobicContact CG1-CB 4.16Å; I114-E119 HydrophobicContact CG1-CG 3.95Å; R117-E119 PolarHBondContact O-N 3.06Å; E119-S134 WeakPolarHBondContact O-CB 3.47Å; E119-S134 PolarHBondContact O-OG 3.35Å
120F97.8Very high95.4Very high6 Ų658.2 Ų58.23%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-105.6121.8173.3-72.2-94.2000110.5L73 I75 L93 V113 F115 V118 F132 S133 S134 Y147L73-F120 HydrophobicContact CD2-CE1 4.37Å; L73-F120 HydrophobicContact CD2-CZ 4.37Å; I75-F120 HydrophobicContact CD1-CE1 3.96Å; I75-F120 HydrophobicContact CD1-CZ 4.32Å; L93-F120 HydrophobicContact CD2-CB 4.2Å; L93-F120 HydrophobicContact CD2-CD1 3.89Å; L93-F120 HydrophobicContact CD2-CD2 3.75Å; L93-F120 HydrophobicContact CD2-CE1 4.16Å; L93-F120 HydrophobicContact CD2-CE2 4.03Å; L93-F120 HydrophobicContact CD2-CG 3.68Å; L93-F120 HydrophobicContact CD2-CZ 4.23Å; V113-F120 HydrophobicContact CB-CB 4.06Å; V113-F120 HydrophobicContact CG1-CB 3.94Å; V113-F120 HydrophobicContact CG1-CD2 4.4Å; V113-F120 HydrophobicContact CG1-CG 4.5Å; V113-F120 PolarHBondContact O-N 3.25Å; F115-F120 HydrophobicContact CD2-CD2 4.21Å; F115-F120 HydrophobicContact CD2-CE2 4.16Å; V118-F120 HydrophobicContact CB-CE2 4.49Å; V118-F120 HydrophobicContact CG1-CD2 4.14Å; V118-F120 HydrophobicContact CG1-CE2 3.5Å; V118-F120 HydrophobicContact CG1-CZ 4.09Å; F120-F132 HydrophobicContact CB-CB 4.31Å; F120-F132 HydrophobicContact CD1-CB 3.82Å; F120-F132 HydrophobicContact CG-CB 4.39Å; F120-S133 WeakPolarHBondContact CA-O 3.2Å; F120-S134 VanDerWaalsContact CD1-CB 3.5Å; F120-Y147 HydrophobicContact CE2-CD1 4.2Å; F120-Y147 AromaticContact CE2-CE1 3.95Å; F120-Y147 HydrophobicContact CE2-CE1 3.95Å; F120-Y147 HydrophobicContact CZ-CD1 4.21Å; F120-Y147 HydrophobicContact CZ-CE1 4.23Å
121S97.9Very high95.6Very high75 Ų7554.4 Ų54.452%0.52430%0.3SS..EExtended strand (participates in β ladder)trans-74.6134.5161.5600000109.4F132 S133S121-F132 CarbonylContact O-C 3.59Å; S121-F132 VanDerWaalsContact O-CA 3.32Å; S121-F132 WeakPolarHBondContact O-CA 3.46Å; S121-S133 PolarHBondContact N-O 2.83Å; S121-S133 PolarHBondContact O-N 3.32Å; S121-S133 PolarHBondContact OG-O 3.28Å
122A98.1Very high95.8Very high40 Ų4047.5 Ų47.533%0.33127%0.274SS..EExtended strand (participates in β ladder)trans-110.9118.617800000109.8P108 Y130 F132P108-A122 HydrophobicContact CB-CB 3.42Å; P108-A122 VanDerWaalsContact CB-CB 3.42Å; P108-A122 HydrophobicContact CG-CB 3.99Å; A122-Y130 HydrophobicContact CB-CD1 4.13Å; A122-F132 HydrophobicContact CB-CD1 3.79Å; A122-F132 HydrophobicContact CB-CE1 3.74Å
123N97.7Very high95.9Very high130 Ų13043.3 Ų43.370%0.69525%0.254SS*.EExtended strand (participates in β ladder)trans-111.9122.5175.1-176.218.3000109.8Y130 T131N123-Y130 CarbonylContact O-C 3.57Å; N123-Y130 WeakPolarHBondContact O-CA 3.22Å; N123-T131 PolarHBondContact N-O 2.88Å; N123-T131 PolarHBondContact O-N 2.74Å
124G96.1Very high95.7Very high39 Ų3943.4 Ų43.440%0.40226%0.255SS..EExtended strand (participates in β ladder)trans146-164-176.900000113G129 Y130G124-G129 CarbonylContact C-O 3.54Å; G124-G129 VanDerWaalsContact CA-O 3.29Å; G124-G129 WeakPolarHBondContact CA-O 3.33Å; G124-Y130 VanDerWaalsContact O-CE1 3.26Å; G124-Y130 WeakPolarHBondContact O-CE1 3.43Å
125N95.5Very high95.4Very high78 Ų7849.2 Ų49.242%0.41727%0.272SS..EExtended strand (participates in β ladder)trans-152.4178.4-178.263.944.4000111.9S127 A128 G129N125-S127 VanDerWaalsContact C-N 3.28Å; N125-S127 PolarHBondContact O-N 2.86Å; N125-S127 PolarHBondContact OD1-N 2.83Å; N125-A128 PolarHBondContact OD1-N 3.15Å; N125-G129 PolarHBondContact N-O 2.93Å; N125-G129 CarbonylContact O-C 3.54Å; N125-G129 WeakPolarHBondContact O-CA 3.49Å; N125-G129 PolarHBondContact O-N 3.46Å; N125-G129 VanDerWaalsContact O-O 3.1Å
126R95.3Very high95.2Very high22 Ų2249.2 Ų49.28%0.08327%0.272CS..THydrogen-bonded Turntrans-71.1-19.7-178.2-64.1-57.2-162.9167.54.2114.4E87 L88 V89 D107 K109E87-R126 HydrophobicContact CB-CB 4.07Å; L88-R126 HydrophobicContact CB-CB 4.28Å; L88-R126 VanDerWaalsContact CB-O 3.32Å; L88-R126 WeakPolarHBondContact CB-O 3.02Å; L88-R126 VanDerWaalsContact CG-O 3.28Å; L88-R126 WeakPolarHBondContact CG-O 3.32Å; L88-R126 PolarHBondContact N-O 2.96Å; L88-R126 VanDerWaalsContact O-CD 3.28Å; L88-R126 WeakPolarHBondContact O-CD 3.43Å; V89-R126 PolarHBondContact O-NH2 3.27Å; D107-R126 IonicContact OD1-CZ 3.9Å; D107-R126 IonicContact OD1-NH1 4Å; D107-R126 PolarHBondContact OD1-NH1 3.24Å; D107-R126 IonicContact OD1-NH2 2.98Å; D107-R126 PolarHBondContact OD1-NH2 3.13Å; D107-R126 IonicContact OD2-CZ 2.92Å; D107-R126 VanDerWaalsContact OD2-CZ 3.23Å; D107-R126 IonicContact OD2-NH1 3.98Å; D107-R126 PolarHBondContact OD2-NH1 3.06Å; D107-R126 IonicContact OD2-NH2 3.96Å; D107-R126 PolarHBondContact OD2-NH2 3.17Å; K109-R126 VanDerWaalsContact CB-NH2 3.32Å
127S94.7Very high95.1Very high31 Ų3148 Ų4822%0.21726%0.256CS..THydrogen-bonded Turntrans-89.9-23.4-177.2-22.20000112.2L82 E87 N125L82-S127 WeakPolarHBondContact CB-O 3.5Å; L82-S127 PolarHBondContact N-O 2.98Å; E87-S127 PolarHBondContact OE1-OG 3.47Å; N125-S127 VanDerWaalsContact C-N 3.28Å; N125-S127 PolarHBondContact O-N 2.86Å; N125-S127 PolarHBondContact OD1-N 2.83Å
128A94.1Very high94.8Very high35 Ų3540.5 Ų40.529%0.28923%0.228SC..THydrogen-bonded Turntrans-122.3-10.2-17800000114.4I78 V79 N125I78-A128 WeakPolarHBondContact CA-O 3.06Å; I78-A128 WeakPolarHBondContact CG2-O 3.43Å; V79-A128 PolarHBondContact N-O 2.81Å; N125-A128 PolarHBondContact OD1-N 3.15Å
129G96.6Very high93.8Very high1 Ų146.1 Ų46.11%0.0125%0.252CS..EExtended strand (participates in β ladder)trans87.3-166.8-17200000112.8G124 N125G124-G129 CarbonylContact C-O 3.54Å; G124-G129 VanDerWaalsContact CA-O 3.29Å; G124-G129 WeakPolarHBondContact CA-O 3.33Å; N125-G129 PolarHBondContact N-O 2.93Å; N125-G129 CarbonylContact O-C 3.54Å; N125-G129 WeakPolarHBondContact O-CA 3.49Å; N125-G129 PolarHBondContact O-N 3.46Å; N125-G129 VanDerWaalsContact O-O 3.1Å
130Y98.3Very high92.7Very high22 Ų2245.9 Ų45.99%0.08625%0.254CS..EExtended strand (participates in β ladder)trans-136.7145.6-168.8-64.3-90000111.7C77 A91 P108 A122 N123 G124 F132 Y151C77-Y130 CarbonylContact C-O 3.51Å; C77-Y130 WeakPolarHBondContact CA-O 3.32Å; C77-Y130 PolarHBondContact N-O 3.35Å; C77-Y130 PolarHBondContact O-N 3.47Å; A91-Y130 HydrophobicContact CB-CD2 3.79Å; A91-Y130 HydrophobicContact CB-CE2 3.7Å; P108-Y130 HydrophobicContact CG-CD1 4.14Å; P108-Y130 HydrophobicContact CG-CD2 4.15Å; P108-Y130 HydrophobicContact CG-CE1 4.09Å; P108-Y130 HydrophobicContact CG-CE2 4.11Å; P108-Y130 HydrophobicContact CG-CG 4.18Å; A122-Y130 HydrophobicContact CB-CD1 4.13Å; N123-Y130 CarbonylContact O-C 3.57Å; N123-Y130 WeakPolarHBondContact O-CA 3.22Å; G124-Y130 VanDerWaalsContact O-CE1 3.26Å; G124-Y130 WeakPolarHBondContact O-CE1 3.43Å; Y130-F132 HydrophobicContact CG-CZ 4.45Å; Y130-Y151 PolarHBondContact N-OH 3.04Å; Y130-Y151 VanDerWaalsContact N-OH 3.14Å
131T98.3Very high92Very high24 Ų2447.6 Ų47.615%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-99.9120.6160.7-64.40000108.7R74 I75 H76 N123R74-T131 HydrophobicContact CB-CG2 4.38Å; I75-T131 WeakPolarHBondContact O-CA 3.42Å; H76-T131 VanDerWaalsContact ND1-CG2 3.27Å; H76-T131 WeakPolarHBondContact ND1-CG2 3.4Å; H76-T131 PolarHBondContact ND1-OG1 3.08Å; N123-T131 PolarHBondContact N-O 2.88Å; N123-T131 PolarHBondContact O-N 2.74Å
132F98.5Very high91.5Very high0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-95.2122.9176-60.5-83.2000109.7R74 I75 C77 L93 P108 V113 F120 S121 A122 Y130 Y151R74-F132 CarbonylContact C-O 3.52Å; R74-F132 VanDerWaalsContact CA-O 3.29Å; R74-F132 WeakPolarHBondContact CA-O 3.1Å; I75-F132 HydrophobicContact CB-CB 4.4Å; I75-F132 PolarHBondContact N-O 3.43Å; I75-F132 PolarHBondContact O-N 2.94Å; C77-F132 HydrophobicContact CB-CE2 4.41Å; L93-F132 HydrophobicContact CB-CD1 4.1Å; L93-F132 HydrophobicContact CB-CD2 4.26Å; L93-F132 HydrophobicContact CB-CE1 3.93Å; L93-F132 HydrophobicContact CB-CE2 4.1Å; L93-F132 HydrophobicContact CB-CG 4.26Å; L93-F132 HydrophobicContact CB-CZ 3.93Å; L93-F132 HydrophobicContact CD1-CD2 4.2Å; L93-F132 HydrophobicContact CD1-CG 4.45Å; L93-F132 HydrophobicContact CD2-CB 3.98Å; L93-F132 HydrophobicContact CD2-CD1 4.05Å; L93-F132 HydrophobicContact CD2-CD2 4.45Å; L93-F132 HydrophobicContact CD2-CG 3.91Å; L93-F132 HydrophobicContact CG-CG 4.44Å; P108-F132 HydrophobicContact CB-CE1 4.28Å; P108-F132 HydrophobicContact CG-CE1 3.93Å; P108-F132 HydrophobicContact CG-CZ 4.19Å; V113-F132 HydrophobicContact CG2-CD1 4.42Å; V113-F132 HydrophobicContact CG2-CE1 4.09Å; F120-F132 HydrophobicContact CB-CB 4.31Å; F120-F132 HydrophobicContact CD1-CB 3.82Å; F120-F132 HydrophobicContact CG-CB 4.39Å; S121-F132 CarbonylContact O-C 3.59Å; S121-F132 VanDerWaalsContact O-CA 3.32Å; S121-F132 WeakPolarHBondContact O-CA 3.46Å; A122-F132 HydrophobicContact CB-CD1 3.79Å; A122-F132 HydrophobicContact CB-CE1 3.74Å; Y130-F132 HydrophobicContact CG-CZ 4.45Å; F132-Y151 HydrophobicContact CE2-CE1 4.46Å
133S97.5Very high91.2Very high25 Ų2545.4 Ų45.418%0.17524%0.239CC..EExtended strand (participates in β ladder)trans-123.9127.5-178.1-560000111.1L73 R74 F120 S121L73-S133 CarbonylContact O-C 3.56Å; L73-S133 WeakPolarHBondContact O-CA 3.38Å; R74-S133 WeakPolarHBondContact CG-OG 3.31Å; F120-S133 WeakPolarHBondContact CA-O 3.2Å; S121-S133 PolarHBondContact N-O 2.83Å; S121-S133 PolarHBondContact O-N 3.32Å; S121-S133 PolarHBondContact OG-O 3.28Å
134S93.9Very high91Very high4 Ų440.4 Ų40.43%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-132.5142.7177-172.80000111.8V72 L73 E119 F120V72-S134 WeakPolarHBondContact CA-O 3.46Å; L73-S134 PolarHBondContact N-O 3.39Å; L73-S134 PolarHBondContact O-N 3.48Å; E119-S134 WeakPolarHBondContact O-CB 3.47Å; E119-S134 PolarHBondContact O-OG 3.35Å; F120-S134 VanDerWaalsContact CD1-CB 3.5Å
135R90.6Very high90.8Very high189 Ų18938.7 Ų38.771%0.71320%0.195SC*.EExtended strand (participates in β ladder)trans-90.8109.6162-72.7-173.7-179.293.4-1.3107.1L70 V72 P137L70-R135 HydrophobicContact CB-CB 4.44Å; V72-R135 HydrophobicContact CG2-CG 4.13Å; R135-P137 WeakPolarHBondContact O-CD 3.43Å
136L89.9Confident90.8Very high0 Ų035.8 Ų35.80%018%0.179CC..  trans-70.4125.6-169.9-58.9178.8000111I63 L70 P71 L73 V118 V138 L143 I165I63-L136 HydrophobicContact CD1-CD1 4.1Å; L70-L136 WeakPolarHBondContact CD2-O 3.4Å; P71-L136 HydrophobicContact CG-CB 4.19Å; P71-L136 HydrophobicContact CG-CD1 4.41Å; P71-L136 PolarHBondContact O-N 3.36Å; L73-L136 HydrophobicContact CB-CD1 4.24Å; L73-L136 HydrophobicContact CB-CD2 4.24Å; L73-L136 HydrophobicContact CB-CG 4.25Å; L73-L136 HydrophobicContact CD2-CD2 4.33Å; V118-L136 HydrophobicContact CG1-CD2 4.01Å; L136-V138 VanDerWaalsContact C-N 3.28Å; L136-V138 HydrophobicContact CB-CG2 4.36Å; L136-V138 PolarHBondContact O-N 2.8Å; L136-L143 HydrophobicContact CB-CD1 3.92Å; L136-I165 HydrophobicContact CD1-CD1 4.26Å; L136-I165 HydrophobicContact CD2-CD1 4.45Å
137P88.4Confident90.9Very high19 Ų1934.8 Ų34.812%0.12318%0.175CC..  trans-83.562.3-17534.9-37000112.7R117 V118 R135 K139 D140 L143R117-P137 HydrophobicContact CB-CG 4.33Å; V118-P137 HydrophobicContact CG2-CG 4.11Å; R135-P137 WeakPolarHBondContact O-CD 3.43Å; P137-K139 PolarHBondContact O-N 2.03Å; P137-D140 PolarHBondContact O-N 2.86Å; P137-L143 HydrophobicContact CG-CD2 4.01Å
138V82.5Confident91.1Very high1 Ų133.5 Ų33.51%0.00617%0.165CC..THydrogen-bonded Turntrans-51.9-17.8-174.8178.50000114.7I63 H66 P71 L136 L143 Y169 K173I63-V138 HydrophobicContact CD1-CG2 4.13Å; I63-V138 HydrophobicContact CG2-CG1 3.81Å; I63-V138 HydrophobicContact CG2-CG2 3.96Å; H66-V138 HydrophobicContact CB-CG1 4.21Å; P71-V138 HydrophobicContact CG-CG2 3.92Å; L136-V138 VanDerWaalsContact C-N 3.28Å; L136-V138 HydrophobicContact CB-CG2 4.36Å; L136-V138 PolarHBondContact O-N 2.8Å; V138-L143 HydrophobicContact CB-CD1 4.4Å; V138-L143 HydrophobicContact CG2-CD1 3.81Å; V138-Y169 HydrophobicContact CG1-CD1 3.27Å; V138-Y169 HydrophobicContact CG1-CE1 3.82Å; V138-Y169 HydrophobicContact CG1-CG 4.03Å; V138-K173 PolarHBondContact O-NZ 2.97Å
139K73.7Confident91.3Very high118 Ų11831.9 Ų31.951%0.51315%0.152SC..THydrogen-bonded Turntrans-79.5-41-178.8-75.4-175179.2162.30114.4H66 P137 K173H66-K139 WeakPolarHBondContact CD2-CE 3.47Å; H66-K139 WeakPolarHBondContact NE2-CE 3.29Å; H66-K139 PolarHBondContact NE2-NZ 2.75Å; P137-K139 PolarHBondContact O-N 2.03Å; K139-K173 VanDerWaalsContact C-NZ 3.34Å; K139-K173 VanDerWaalsContact CA-NZ 3.28Å; K139-K173 PolarHBondContact O-NZ 3.43Å
140D70.3Confident91.3Very high104 Ų10434.3 Ų34.356%0.55616%0.162SC*.THydrogen-bonded Turntrans-113.8-13.8-151.8-61.1-43.5000114.4P137P137-D140 PolarHBondContact O-N 2.86Å
141E83Confident91.3Very high42 Ų4233.2 Ų33.220%0.19616%0.158CC..SBendtrans-146.5149.5-173.4-171174.1-149.700110.4G116 R117 L143G116-E141 VanDerWaalsContact CA-OE1 3.23Å; G116-E141 WeakPolarHBondContact CA-OE1 3.29Å; R117-E141 WeakPolarHBondContact CA-OE2 3.47Å; R117-E141 WeakPolarHBondContact CB-OE2 3.26Å; R117-E141 HydrophobicContact CG-CB 4.49Å; R117-E141 VanDerWaalsContact N-CD 3.32Å; R117-E141 PolarHBondContact N-OE1 3.28Å; R117-E141 PolarHBondContact N-OE2 3.37Å; E141-L143 PolarHBondContact O-N 3.14Å
142L89.3Confident91.2Very high67 Ų6734.5 Ų34.535%0.35116%0.162SC..  trans-72.8118170.8175.663.7000109.2D144 D167 Y170 Y171L142-D144 HydrophobicContact CD1-CB 4.03Å; L142-D144 HydrophobicContact CD2-CB 4.34Å; L142-D144 HydrophobicContact CG-CB 4Å; L142-D167 HydrophobicContact CD1-CB 4.2Å; L142-Y170 HydrophobicContact CB-CD1 4.37Å; L142-Y170 HydrophobicContact CB-CD2 4.28Å; L142-Y170 HydrophobicContact CB-CE1 4.2Å; L142-Y170 HydrophobicContact CB-CE2 4.13Å; L142-Y170 HydrophobicContact CB-CG 4.42Å; L142-Y170 HydrophobicContact CD1-CD1 3.64Å; L142-Y170 HydrophobicContact CD1-CE1 4.09Å; L142-Y170 HydrophobicContact CD1-CG 3.93Å; L142-Y171 HydrophobicContact CD1-CE2 3.82Å
143L91.7Very high91Very high2 Ų234.5 Ų34.51%0.0116%0.162CC..  trans-89.1-2.2-176.4-57.1177.9000114.6I63 V118 L136 P137 V138 E141 G145 I165 D167I63-L143 HydrophobicContact CD1-CD1 3.68Å; V118-L143 HydrophobicContact CG2-CD2 3.41Å; V118-L143 VanDerWaalsContact CG2-CD2 3.41Å; L136-L143 HydrophobicContact CB-CD1 3.92Å; P137-L143 HydrophobicContact CG-CD2 4.01Å; V138-L143 HydrophobicContact CB-CD1 4.4Å; V138-L143 HydrophobicContact CG2-CD1 3.81Å; E141-L143 PolarHBondContact O-N 3.14Å; L143-G145 PolarHBondContact O-N 3.46Å; L143-I165 HydrophobicContact CB-CG2 4.05Å; L143-D167 HydrophobicContact CB-CB 4.14Å; L143-D167 WeakPolarHBondContact CG-OD2 3.4Å; L143-D167 PolarHBondContact N-OD2 2.81Å
144D91.8Very high90.6Very high26 Ų2641.6 Ų41.614%0.13919%0.185CC..  trans-51.7132.1-179.6-76.52000111.9L142 I165 D167 Y171 W212L142-D144 HydrophobicContact CD1-CB 4.03Å; L142-D144 HydrophobicContact CD2-CB 4.34Å; L142-D144 HydrophobicContact CG-CB 4Å; D144-I165 WeakPolarHBondContact CA-O 3.39Å; D144-D167 PolarHBondContact OD1-N 2.84Å; D144-Y171 WeakPolarHBondContact OD2-CE2 3.36Å; D144-Y171 PolarHBondContact OD2-OH 3.47Å; D144-W212 PolarHBondContact OD2-NE1 2.78Å
145G93.5Very high90.4Very high3 Ų342.1 Ų42.13%0.03119%0.187CC..EExtended strand (participates in β ladder)trans157.2177.8174.200000113.9R96 L143 E164 I165R96-G145 CarbonylContact O-C 3.59Å; R96-G145 WeakPolarHBondContact O-CA 3.45Å; L143-G145 PolarHBondContact O-N 3.46Å; G145-E164 CarbonylContact O-C 3.48Å; G145-E164 WeakPolarHBondContact O-CA 3.47Å; G145-I165 PolarHBondContact N-O 3.35Å; G145-I165 PolarHBondContact O-N 3.26Å
146F95.6Very high90.4Very high17 Ų1733.3 Ų33.38%0.07516%0.156CC..EExtended strand (participates in β ladder)trans-112.1125.4179.5-56.9-91.2000109.4R95 R96 T99 F162 I163 E164R95-F146 CarbonylContact C-O 3.55Å; R95-F146 VanDerWaalsContact CA-O 3.28Å; R95-F146 WeakPolarHBondContact CA-O 3.48Å; R96-F146 HydrophobicContact CB-CB 4.3Å; R96-F146 PolarHBondContact N-O 3.08Å; R96-F146 PolarHBondContact O-N 3.35Å; T99-F146 HydrophobicContact CG2-CE1 4.33Å; T99-F146 HydrophobicContact CG2-CE2 3.97Å; T99-F146 HydrophobicContact CG2-CZ 3.69Å; F146-F162 HydrophobicContact CB-CB 4.34Å; F146-F162 HydrophobicContact CB-CD2 4.04Å; F146-F162 HydrophobicContact CB-CE2 4.47Å; F146-F162 HydrophobicContact CB-CG 4.13Å; F146-F162 HydrophobicContact CD1-CB 4.06Å; F146-F162 AromaticContact CD1-CD2 3.73Å; F146-F162 HydrophobicContact CD1-CD2 3.73Å; F146-F162 HydrophobicContact CD1-CG 4.23Å; F146-F162 HydrophobicContact CG-CD2 4.04Å; F146-I163 CarbonylContact C-O 3.53Å; F146-I163 WeakPolarHBondContact CA-O 3.27Å; F146-E164 HydrophobicContact CD1-CB 3.85Å; F146-E164 HydrophobicContact CD1-CG 4.17Å; F146-E164 HydrophobicContact CE1-CB 3.75Å; F146-E164 HydrophobicContact CE1-CG 3.65Å; F146-E164 HydrophobicContact CZ-CG 4.13Å
147Y97.6Very high90.6Very high1 Ų135.1 Ų35.10%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-112.5141.4177.4-61.8-97000110.2C94 R95 F115 F120 I163 I165C94-Y147 WeakPolarHBondContact O-CA 3.46Å; R95-Y147 HydrophobicContact CB-CD1 4.19Å; R95-Y147 HydrophobicContact CB-CE1 4.05Å; R95-Y147 HydrophobicContact CG-CD1 4.27Å; R95-Y147 HydrophobicContact CG-CE1 3.83Å; F115-Y147 HydrophobicContact CD2-CD1 4.4Å; F115-Y147 AromaticContact CD2-CE1 3.93Å; F115-Y147 HydrophobicContact CD2-CE1 3.93Å; F115-Y147 HydrophobicContact CE2-CE1 4.48Å; F115-Y147 HydrophobicContact CG-CE1 4.48Å; F120-Y147 HydrophobicContact CE2-CD1 4.2Å; F120-Y147 AromaticContact CE2-CE1 3.95Å; F120-Y147 HydrophobicContact CE2-CE1 3.95Å; F120-Y147 HydrophobicContact CZ-CD1 4.21Å; F120-Y147 HydrophobicContact CZ-CE1 4.23Å; Y147-I163 PolarHBondContact N-O 3.01Å; Y147-I163 PolarHBondContact O-N 3.08Å; Y147-I165 HydrophobicContact CD2-CD1 3.81Å; Y147-I165 HydrophobicContact CD2-CG1 4.02Å; Y147-I165 HydrophobicContact CE2-CB 4.41Å; Y147-I165 HydrophobicContact CE2-CD1 3.52Å; Y147-I165 HydrophobicContact CE2-CG1 3.94Å
148F97.6Very high90.9Very high4 Ų434.5 Ų34.52%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-162.916017959.5-83.1000111.3C94 R96 D103 K150 I159 S160 F162C94-F148 HydrophobicContact CB-CD1 4.24Å; C94-F148 HydrophobicContact CB-CD2 3.99Å; C94-F148 HydrophobicContact CB-CE1 3.79Å; C94-F148 HydrophobicContact CB-CE2 3.53Å; C94-F148 HydrophobicContact CB-CG 4.33Å; C94-F148 HydrophobicContact CB-CZ 3.42Å; C94-F148 VanDerWaalsContact CB-CZ 3.42Å; C94-F148 PolarHBondContact N-O 3.45Å; C94-F148 PolarHBondContact O-N 2.93Å; C94-F148 VanDerWaalsContact O-N 3.07Å; R96-F148 HydrophobicContact CB-CE1 4.46Å; D103-F148 HydrophobicContact CB-CZ 4.31Å; D103-F148 WeakPolarHBondContact OD1-CZ 3.41Å; F148-K150 HydrophobicContact CE2-CB 4.45Å; F148-I159 HydrophobicContact CD2-CG2 3.67Å; F148-I159 HydrophobicContact CE2-CG2 4.01Å; F148-S160 WeakPolarHBondContact CA-OG 3.48Å; F148-S160 WeakPolarHBondContact CB-OG 3.47Å; F148-F162 HydrophobicContact CB-CD1 3.84Å; F148-F162 HydrophobicContact CB-CE1 4.32Å; F148-F162 AromaticContact CD1-CD1 3.44Å; F148-F162 HydrophobicContact CD1-CD1 3.44Å; F148-F162 VanDerWaalsContact CD1-CD1 3.44Å; F148-F162 AromaticContact CD1-CE1 3.28Å; F148-F162 HydrophobicContact CD1-CE1 3.28Å; F148-F162 HydrophobicContact CD1-CZ 4.29Å; F148-F162 HydrophobicContact CD2-CE1 4.25Å; F148-F162 HydrophobicContact CE1-CD1 4.13Å; F148-F162 AromaticContact CE1-CE1 3.5Å; F148-F162 HydrophobicContact CE1-CE1 3.5Å; F148-F162 VanDerWaalsContact CE1-CE1 3.5Å; F148-F162 HydrophobicContact CE1-CZ 4.17Å; F148-F162 HydrophobicContact CE2-CE1 4.41Å; F148-F162 AromaticContact CG-CD1 3.71Å; F148-F162 HydrophobicContact CG-CD1 3.71Å; F148-F162 AromaticContact CG-CE1 3.69Å; F148-F162 HydrophobicContact CG-CE1 3.69Å; F148-F162 HydrophobicContact CZ-CE1 4.06Å
149C98.5Very high91.5Very high0 Ų035.6 Ų35.60%017%0.165CC..EExtended strand (participates in β ladder)trans-96.6141.4177.1-68.50000111.3F27 C77 Y92 Y151 I159 S160F27-C149 HydrophobicContact CZ-CB 4.36Å; C77-C149 HydrophobicContact CB-CB 3.58Å; C77-C149 WeakPolarHBondContact CB-SG 3.35Å; C77-C149 WeakPolarHBondContact SG-CB 3.5Å; C77-C149 CovalentContact SG-SG 1.99Å; C77-C149 PolarHBondContact SG-SG 3.36Å; Y92-C149 WeakPolarHBondContact O-CA 3.36Å; C149-Y151 HydrophobicContact CB-CD1 4.34Å; C149-Y151 HydrophobicContact CB-CE1 4.12Å; C149-I159 CarbonylContact O-C 3.55Å; C149-I159 VanDerWaalsContact O-CA 3.3Å; C149-I159 WeakPolarHBondContact O-CA 3.24Å; C149-S160 PolarHBondContact N-OG 2.86Å; C149-S160 PolarHBondContact O-N 3.5Å
150K97.5Very high92.6Very high52 Ų5230.2 Ų30.223%0.22614%0.142CC..EExtended strand (participates in β ladder)trans-135.6102.7179.4176172.6-174.3171.70109.4Y92 F148 E157 I159Y92-K150 WeakPolarHBondContact CB-O 3.46Å; Y92-K150 PolarHBondContact N-O 2.98Å; Y92-K150 PolarHBondContact O-N 2.88Å; F148-K150 HydrophobicContact CE2-CB 4.45Å; K150-E157 WeakPolarHBondContact CE-OE1 3.46Å; K150-E157 WeakPolarHBondContact CE-OE2 3.46Å; K150-E157 HydrophobicContact CG-CG 4.41Å; K150-E157 IonicContact NZ-OE1 3.7Å; K150-E157 PolarHBondContact NZ-OE1 3.13Å; K150-E157 IonicContact NZ-OE2 3.82Å; K150-I159 HydrophobicContact CB-CG1 4.46Å; K150-I159 HydrophobicContact CD-CD1 4.33Å; K150-I159 HydrophobicContact CG-CD1 4.36Å; K150-I159 HydrophobicContact CG-CG1 4.12Å
151Y97.7Very high93.8Very high0 Ų025.5 Ų25.50%012%0.117CC..EExtended strand (participates in β ladder)trans-115.1139.4-169.5-82.122.6000110.4L25 F27 C77 V79 L88 A91 Y130 F132 C149 E157 L158L25-Y151 WeakPolarHBondContact CD1-O 2.97Å; F27-Y151 AromaticContact CE1-CD2 3.91Å; F27-Y151 HydrophobicContact CE1-CD2 3.91Å; F27-Y151 HydrophobicContact CE1-CE2 4.23Å; F27-Y151 HydrophobicContact CE1-CG 4.27Å; F27-Y151 HydrophobicContact CZ-CG 4.48Å; C77-Y151 HydrophobicContact CB-CE1 4.18Å; C77-Y151 HydrophobicContact CB-CE2 4.17Å; C77-Y151 WeakPolarHBondContact CB-OH 3.39Å; C77-Y151 WeakPolarHBondContact O-CE2 2.95Å; C77-Y151 PolarHBondContact O-OH 2.64Å; V79-Y151 HydrophobicContact CG1-CD2 3.94Å; V79-Y151 HydrophobicContact CG1-CE2 4.33Å; L88-Y151 HydrophobicContact CD1-CD2 3.51Å; L88-Y151 HydrophobicContact CD1-CE2 3.69Å; L88-Y151 HydrophobicContact CD1-CG 4.28Å; L88-Y151 HydrophobicContact CD2-CD2 3.84Å; L88-Y151 HydrophobicContact CD2-CG 4.1Å; L88-Y151 HydrophobicContact CG-CD2 4.36Å; A91-Y151 VanDerWaalsContact CA-CD1 3.41Å; A91-Y151 HydrophobicContact CB-CD1 3.9Å; A91-Y151 HydrophobicContact CB-CE1 3.65Å; A91-Y151 HydrophobicContact CB-CE2 4.39Å; A91-Y151 HydrophobicContact CB-CG 4.36Å; Y130-Y151 PolarHBondContact N-OH 3.04Å; Y130-Y151 VanDerWaalsContact N-OH 3.14Å; F132-Y151 HydrophobicContact CE2-CE1 4.46Å; C149-Y151 HydrophobicContact CB-CD1 4.34Å; C149-Y151 HydrophobicContact CB-CE1 4.12Å; Y151-E157 CarbonylContact O-C 3.53Å; Y151-E157 VanDerWaalsContact O-CA 3.23Å; Y151-E157 WeakPolarHBondContact O-CA 3.22Å; Y151-E157 WeakPolarHBondContact O-CG 3.36Å; Y151-L158 PolarHBondContact N-O 3.01Å; Y151-L158 PolarHBondContact O-N 3.16Å
152H95.8Very high94.4Very high50 Ų5023.9 Ų23.923%0.23111%0.11CC..EExtended strand (participates in β ladder)trans-138138-177.9175.672.4000111.3L88 V89 S90 G156 E157L88-H152 CarbonylContact C-O 3.34Å; V89-H152 PolarHBondContact N-O 2.71Å; S90-H152 PolarHBondContact N-O 3.05Å; S90-H152 VanDerWaalsContact N-O 3.15Å; S90-H152 PolarHBondContact O-N 3.1Å; S90-H152 WeakPolarHBondContact OG-CB 3.38Å; H152-G156 WeakPolarHBondContact CA-O 3.3Å; H152-G156 PolarHBondContact ND1-O 3.34Å; H152-G156 VanDerWaalsContact ND1-O 3.13Å; H152-E157 HydrophobicContact CB-CB 4.34Å
153N94Very high94.7Very high0 Ų020.9 Ų20.90%09%0.094CC..EExtended strand (participates in β ladder)trans-133.7-175.9167.181.1-8.4000109.8Q23 L25 H86 N155 G156Q23-N153 PolarHBondContact O-ND2 3.13Å; Q23-N153 VanDerWaalsContact O-ND2 3.15Å; L25-N153 HydrophobicContact CD1-CB 4.35Å; L25-N153 HydrophobicContact CD2-CB 4.14Å; L25-N153 HydrophobicContact CG-CB 4.32Å; H86-N153 PolarHBondContact O-ND2 3.27Å; N153-N155 PolarHBondContact O-N 3.46Å; N153-N155 WeakPolarHBondContact OD1-CA 3.3Å; N153-N155 PolarHBondContact OD1-N 2.92Å; N153-G156 PolarHBondContact N-O 2.75Å; N153-G156 PolarHBondContact O-N 2.81Å; N153-G156 PolarHBondContact OD1-N 2.89Å
154R90.3Very high94.9Very high175 Ų17521.2 Ų21.266%0.6610%0.095SC*.THydrogen-bonded Turntrans-58.3-23.1-178.7-66.4-178.9176.8-175.5-1114.6
155N89.6Confident94.9Very high14 Ų1420 Ų208%0.0759%0.089CC..THydrogen-bonded Turntrans-101.3-8-173.8-64-21.6000113Q23 H86 N153 N446 Y467Q23-N155 PolarHBondContact O-ND2 2.83Å; H86-N155 PolarHBondContact CD2-ND2 2.85Å; N153-N155 PolarHBondContact O-N 3.46Å; N153-N155 WeakPolarHBondContact OD1-CA 3.3Å; N153-N155 PolarHBondContact OD1-N 2.92Å; N155-N446 PolarHBondContact O-ND2 3.06Å; N155-Y467 PolarHBondContact O-OH 3.1Å
156G91.1Very high94.8Very high5 Ų519.9 Ų19.95%0.0529%0.088CC..EExtended strand (participates in β ladder)trans160-177176.600000115L25 H152 N153L25-G156 WeakPolarHBondContact CD1-O 3.5Å; H152-G156 WeakPolarHBondContact CA-O 3.3Å; H152-G156 PolarHBondContact ND1-O 3.34Å; H152-G156 VanDerWaalsContact ND1-O 3.13Å; N153-G156 PolarHBondContact N-O 2.75Å; N153-G156 PolarHBondContact O-N 2.81Å; N153-G156 PolarHBondContact OD1-N 2.89Å
157E93.9Very high94.5Very high37 Ų3719.1 Ų19.117%0.1738%0.084CC..EExtended strand (participates in β ladder)trans-120.8142.6174175.8174.5101.600110.7K150 Y151 H152 I159 N446 G447K150-E157 WeakPolarHBondContact CE-OE1 3.46Å; K150-E157 WeakPolarHBondContact CE-OE2 3.46Å; K150-E157 HydrophobicContact CG-CG 4.41Å; K150-E157 IonicContact NZ-OE1 3.7Å; K150-E157 PolarHBondContact NZ-OE1 3.13Å; K150-E157 IonicContact NZ-OE2 3.82Å; Y151-E157 CarbonylContact O-C 3.53Å; Y151-E157 VanDerWaalsContact O-CA 3.23Å; Y151-E157 WeakPolarHBondContact O-CA 3.22Å; Y151-E157 WeakPolarHBondContact O-CG 3.36Å; H152-E157 HydrophobicContact CB-CB 4.34Å; E157-I159 HydrophobicContact CG-CG1 4.27Å; E157-N446 PolarHBondContact N-O 3.07Å; E157-N446 CarbonylContact O-C 3.6Å; E157-G447 PolarHBondContact O-N 2.72Å
158L94Very high94.1Very high7 Ų719 Ų194%0.0378%0.084CC..EExtended strand (participates in β ladder)trans-131130.7178-169.969.4000109.9L25 F27 Y151 T503L25-L158 HydrophobicContact CB-CB 4.03Å; L25-L158 HydrophobicContact CB-CD2 4.34Å; L25-L158 HydrophobicContact CD1-CB 4.33Å; F27-L158 HydrophobicContact CB-CD2 4.26Å; F27-L158 HydrophobicContact CD1-CD2 4.08Å; F27-L158 HydrophobicContact CD2-CD2 3.28Å; F27-L158 HydrophobicContact CD2-CG 3.73Å; F27-L158 HydrophobicContact CE1-CD2 4.24Å; F27-L158 HydrophobicContact CE2-CB 4.3Å; F27-L158 HydrophobicContact CE2-CD2 3.47Å; F27-L158 VanDerWaalsContact CE2-CD2 3.47Å; F27-L158 HydrophobicContact CE2-CG 3.48Å; F27-L158 VanDerWaalsContact CE2-CG 3.48Å; F27-L158 HydrophobicContact CG-CD2 3.59Å; F27-L158 HydrophobicContact CG-CG 4.49Å; F27-L158 HydrophobicContact CZ-CB 4.44Å; F27-L158 HydrophobicContact CZ-CD2 3.95Å; F27-L158 HydrophobicContact CZ-CG 4.06Å; Y151-L158 PolarHBondContact N-O 3.01Å; Y151-L158 PolarHBondContact O-N 3.16Å; L158-T503 HydrophobicContact CD1-CG2 3.97Å
159I96Very high93.6Very high23 Ų2320.1 Ų20.112%0.1189%0.088CC..EExtended strand (participates in β ladder)trans-120.6134.2-177.1-52.7-176.6000108.9F148 C149 K150 E157 R516F148-I159 HydrophobicContact CD2-CG2 3.67Å; F148-I159 HydrophobicContact CE2-CG2 4.01Å; C149-I159 CarbonylContact O-C 3.55Å; C149-I159 VanDerWaalsContact O-CA 3.3Å; C149-I159 WeakPolarHBondContact O-CA 3.24Å; K150-I159 HydrophobicContact CB-CG1 4.46Å; K150-I159 HydrophobicContact CD-CD1 4.33Å; K150-I159 HydrophobicContact CG-CD1 4.36Å; K150-I159 HydrophobicContact CG-CG1 4.12Å; E157-I159 HydrophobicContact CG-CG1 4.27Å; I159-R516 WeakPolarHBondContact O-CD 3.45Å
160S96.2Very high93.1Very high5 Ų522.7 Ų22.74%0.03510%0.098CC..PPolyproline II helixtrans-79.4169176.276.20000112F148 C149F148-S160 WeakPolarHBondContact CA-OG 3.48Å; F148-S160 WeakPolarHBondContact CB-OG 3.47Å; C149-S160 PolarHBondContact N-OG 2.86Å; C149-S160 PolarHBondContact O-N 3.5Å
161N95.6Very high92.7Very high6 Ų621.3 Ų21.33%0.0329%0.092CC..PPolyproline II helixtrans-66.2163.1164.7-82.6-71000111.8I55 K56 Q57 R516I55-N161 HydrophobicContact CG2-CB 4.06Å; I55-N161 PolarHBondContact O-ND2 2.85Å; K56-N161 PolarHBondContact O-ND2 3.12Å; Q57-N161 PolarHBondContact N-ND2 2.98Å; N161-R516 PolarHBondContact ND2-O 2.74Å; N161-R516 PolarHBondContact OD1-N 2.92Å
162F95.6Very high92.3Very high8 Ų821.9 Ų21.94%0.0359%0.094CC..PPolyproline II helixtrans-77.1145.8179.1-70.7-8.5000112.6Q58 V59 F146 F148 L514Q58-F162 CarbonylContact C-O 3.53Å; Q58-F162 VanDerWaalsContact CA-O 3.27Å; Q58-F162 WeakPolarHBondContact CA-O 3.37Å; Q58-F162 HydrophobicContact CG-CB 3.99Å; Q58-F162 WeakPolarHBondContact CG-O 3.4Å; V59-F162 PolarHBondContact N-O 3.28Å; F146-F162 HydrophobicContact CB-CB 4.34Å; F146-F162 HydrophobicContact CB-CD2 4.04Å; F146-F162 HydrophobicContact CB-CE2 4.47Å; F146-F162 HydrophobicContact CB-CG 4.13Å; F146-F162 HydrophobicContact CD1-CB 4.06Å; F146-F162 AromaticContact CD1-CD2 3.73Å; F146-F162 HydrophobicContact CD1-CD2 3.73Å; F146-F162 HydrophobicContact CD1-CG 4.23Å; F146-F162 HydrophobicContact CG-CD2 4.04Å; F148-F162 HydrophobicContact CB-CD1 3.84Å; F148-F162 HydrophobicContact CB-CE1 4.32Å; F148-F162 AromaticContact CD1-CD1 3.44Å; F148-F162 HydrophobicContact CD1-CD1 3.44Å; F148-F162 VanDerWaalsContact CD1-CD1 3.44Å; F148-F162 AromaticContact CD1-CE1 3.28Å; F148-F162 HydrophobicContact CD1-CE1 3.28Å; F148-F162 HydrophobicContact CD1-CZ 4.29Å; F148-F162 HydrophobicContact CD2-CE1 4.25Å; F148-F162 HydrophobicContact CE1-CD1 4.13Å; F148-F162 AromaticContact CE1-CE1 3.5Å; F148-F162 HydrophobicContact CE1-CE1 3.5Å; F148-F162 VanDerWaalsContact CE1-CE1 3.5Å; F148-F162 HydrophobicContact CE1-CZ 4.17Å; F148-F162 HydrophobicContact CE2-CE1 4.41Å; F148-F162 AromaticContact CG-CD1 3.71Å; F148-F162 HydrophobicContact CG-CD1 3.71Å; F148-F162 AromaticContact CG-CE1 3.69Å; F148-F162 HydrophobicContact CG-CE1 3.69Å; F148-F162 HydrophobicContact CZ-CE1 4.06Å; F162-L514 HydrophobicContact CD1-CD2 4.45Å; F162-L514 HydrophobicContact CD2-CD2 4.04Å; F162-L514 HydrophobicContact CD2-CG 3.91Å; F162-L514 HydrophobicContact CE1-CD2 3.97Å; F162-L514 HydrophobicContact CE2-CD2 3.5Å; F162-L514 VanDerWaalsContact CE2-CD2 3.5Å; F162-L514 HydrophobicContact CE2-CG 3.88Å; F162-L514 HydrophobicContact CG-CG 4.29Å; F162-L514 HydrophobicContact CZ-CD2 3.48Å; F162-L514 VanDerWaalsContact CZ-CD2 3.48Å; F162-L514 HydrophobicContact CZ-CG 4.25Å
163I95.9Very high91.9Very high4 Ų421 Ų212%0.0219%0.089CC..EExtended strand (participates in β ladder)trans-112.4103.1166.6-58169.3000106.5I51 V59 I61 I75 F146 Y147I51-I163 HydrophobicContact CB-CD1 4.05Å; I51-I163 HydrophobicContact CD1-CD1 3.93Å; I51-I163 HydrophobicContact CD1-CG1 4.07Å; I51-I163 HydrophobicContact CD1-CG2 3.74Å; I51-I163 HydrophobicContact CG2-CD1 3.82Å; I51-I163 HydrophobicContact CG2-CG1 4.15Å; V59-I163 CarbonylContact O-C 3.48Å; V59-I163 WeakPolarHBondContact O-CA 3.49Å; I61-I163 HydrophobicContact CD1-CG2 3.59Å; I61-I163 HydrophobicContact CG1-CG2 4.24Å; I75-I163 HydrophobicContact CB-CD1 4.36Å; I75-I163 HydrophobicContact CD1-CD1 3.94Å; I75-I163 HydrophobicContact CG1-CD1 3.79Å; I75-I163 HydrophobicContact CG2-CD1 3.78Å; F146-I163 CarbonylContact C-O 3.53Å; F146-I163 WeakPolarHBondContact CA-O 3.27Å; Y147-I163 PolarHBondContact N-O 3.01Å; Y147-I163 PolarHBondContact O-N 3.08Å
164E94.3Very high91.5Very high8 Ų825.2 Ų25.24%0.03711%0.106CC..EExtended strand (participates in β ladder)trans-82.7116.9178.6-179.5-173.4-17100109.4Q58 V59 R60 I61 G145 F146 Q166 R331Q58-E164 HydrophobicContact CG-CB 4.49Å; Q58-E164 PolarHBondContact NE2-OE2 2.94Å; V59-E164 PolarHBondContact O-N 3.05Å; R60-E164 CarbonylContact C-O 3.54Å; R60-E164 WeakPolarHBondContact CA-O 3.46Å; R60-E164 HydrophobicContact CB-CB 4.48Å; R60-E164 HydrophobicContact CG-CB 4.42Å; R60-E164 HydrophobicContact CG-CG 4.37Å; R60-E164 IonicContact CZ-OE2 2.73Å; R60-E164 IonicContact NE-OE1 3.41Å; R60-E164 IonicContact NE-OE2 2.69Å; R60-E164 PolarHBondContact NE-OE2 3.21Å; R60-E164 IonicContact NH2-OE2 3.87Å; I61-E164 PolarHBondContact N-O 3.13Å; G145-E164 CarbonylContact O-C 3.48Å; G145-E164 WeakPolarHBondContact O-CA 3.47Å; F146-E164 HydrophobicContact CD1-CB 3.85Å; F146-E164 HydrophobicContact CD1-CG 4.17Å; F146-E164 HydrophobicContact CE1-CB 3.75Å; F146-E164 HydrophobicContact CE1-CG 3.65Å; F146-E164 HydrophobicContact CZ-CG 4.13Å; E164-Q166 HydrophobicContact CG-CG 4.18Å; E164-Q166 PolarHBondContact OE1-NE2 3.22Å; E164-R331 IonicContact OE1-NH2 3.01Å; E164-R331 PolarHBondContact OE1-NH2 2.82Å; E164-R331 IonicContact OE2-NH2 2.72Å; E164-R331 PolarHBondContact OE2-NH2 2.89Å
165I93.1Very high91.3Very high2 Ų218.6 Ų18.61%0.018%0.083CC..EExtended strand (participates in β ladder)trans-96.7131.3169.5-56.6-174.8000108.7I61 I63 L73 L136 L143 D144 G145 Y147I61-I165 HydrophobicContact CB-CG1 4.45Å; I61-I165 HydrophobicContact CD1-CG1 4.36Å; I61-I165 CarbonylContact O-C 3.43Å; I61-I165 WeakPolarHBondContact O-CA 3.5Å; I63-I165 HydrophobicContact CD1-CG2 3.84Å; I63-I165 HydrophobicContact CG1-CG2 4.43Å; L73-I165 HydrophobicContact CD2-CD1 3.89Å; L136-I165 HydrophobicContact CD1-CD1 4.26Å; L136-I165 HydrophobicContact CD2-CD1 4.45Å; L143-I165 HydrophobicContact CB-CG2 4.05Å; D144-I165 WeakPolarHBondContact CA-O 3.39Å; G145-I165 PolarHBondContact N-O 3.35Å; G145-I165 PolarHBondContact O-N 3.26Å; Y147-I165 HydrophobicContact CD2-CD1 3.81Å; Y147-I165 HydrophobicContact CD2-CG1 4.02Å; Y147-I165 HydrophobicContact CE2-CB 4.41Å; Y147-I165 HydrophobicContact CE2-CD1 3.52Å; Y147-I165 HydrophobicContact CE2-CG1 3.94Å
166Q90Very high91.3Very high0 Ų018.4 Ų18.40%08%0.082CC..EExtended strand (participates in β ladder)trans-121.3108.6176.2-65.5-177.1-11.200109.3R60 I61 R62 I63 E164 A168 W212R60-Q166 HydrophobicContact CG-CG 4.32Å; I61-Q166 PolarHBondContact O-N 3.06Å; R62-Q166 WeakPolarHBondContact CA-O 3.23Å; R62-Q166 HydrophobicContact CG-CB 4.33Å; I63-Q166 PolarHBondContact N-O 3.26Å; E164-Q166 HydrophobicContact CG-CG 4.18Å; E164-Q166 PolarHBondContact OE1-NE2 3.22Å; Q166-A168 PolarHBondContact O-N 2.84Å; Q166-W212 HydrophobicContact CB-CD2 4.01Å; Q166-W212 HydrophobicContact CB-CE3 4.07Å; Q166-W212 HydrophobicContact CB-CH2 3.89Å; Q166-W212 HydrophobicContact CB-CZ2 3.77Å; Q166-W212 HydrophobicContact CB-CZ3 4.04Å; Q166-W212 HydrophobicContact CG-CD2 3.75Å; Q166-W212 HydrophobicContact CG-CE3 4.06Å; Q166-W212 HydrophobicContact CG-CG 4.02Å; Q166-W212 HydrophobicContact CG-CZ2 4.37Å
167D89.9Confident91.1Very high0 Ų027.7 Ų27.70%012%0.115CC..  trans-92.368.4-174.8-164.9-11.8000111.9L142 L143 D144 Y169 Y170 Y171L142-D167 HydrophobicContact CD1-CB 4.2Å; L143-D167 HydrophobicContact CB-CB 4.14Å; L143-D167 WeakPolarHBondContact CG-OD2 3.4Å; L143-D167 PolarHBondContact N-OD2 2.81Å; D144-D167 PolarHBondContact OD1-N 2.84Å; D167-Y169 PolarHBondContact O-N 3.13Å; D167-Y170 WeakPolarHBondContact O-CB 3.38Å; D167-Y170 PolarHBondContact O-N 3.39Å; D167-Y170 WeakPolarHBondContact OD1-CB 3.44Å; D167-Y170 PolarHBondContact OD1-N 2.88Å; D167-Y170 WeakPolarHBondContact OD2-CB 3.37Å; D167-Y171 WeakPolarHBondContact O-CD2 3.46Å
168A88.5Confident90.8Very high0 Ų027.3 Ų27.30%011%0.112CC..Hα-helixtrans-58.6-35.9178.300000112.1R62 I63 V64 Q166 Y170 Y171 H172 W212 F217R62-A168 HydrophobicContact CG-CB 4.45Å; I63-A168 WeakPolarHBondContact O-CA 3.49Å; I63-A168 WeakPolarHBondContact O-CB 3.32Å; I63-A168 PolarHBondContact O-N 2.82Å; V64-A168 HydrophobicContact CG1-CB 4.29Å; Q166-A168 PolarHBondContact O-N 2.84Å; A168-Y170 PolarHBondContact O-N 2.8Å; A168-Y171 PolarHBondContact O-N 2.82Å; A168-H172 PolarHBondContact O-N 2.92Å; A168-W212 HydrophobicContact CB-CH2 3.98Å; A168-W212 HydrophobicContact CB-CZ3 4.44Å; A168-F217 HydrophobicContact CB-CE2 4Å; A168-F217 HydrophobicContact CB-CZ 4.06Å
169Y88.2Confident90.6Very high26 Ų2629.2 Ų29.210%0.10213%0.125CC..Hα-helixtrans-60.4-40176.8-178.9-100.2000113.1I63 H66 V138 D167 Y171 H172 K173 L285I63-Y169 PolarHBondContact O-N 2.82Å; H66-Y169 HydrophobicContact CB-CD1 4.25Å; H66-Y169 HydrophobicContact CB-CD2 4.43Å; H66-Y169 HydrophobicContact CB-CE1 3.68Å; H66-Y169 HydrophobicContact CB-CE2 3.91Å; V138-Y169 HydrophobicContact CG1-CD1 3.27Å; V138-Y169 HydrophobicContact CG1-CE1 3.82Å; V138-Y169 HydrophobicContact CG1-CG 4.03Å; D167-Y169 PolarHBondContact O-N 3.13Å; Y169-Y171 VanDerWaalsContact C-N 3.33Å; Y169-Y171 PolarHBondContact O-N 2.84Å; Y169-H172 PolarHBondContact O-N 3.06Å; Y169-K173 HydrophobicContact CD1-CD 4.04Å; Y169-K173 HydrophobicContact CD1-CG 4.33Å; Y169-K173 HydrophobicContact CE1-CD 3.38Å; Y169-K173 HydrophobicContact CE1-CG 3.87Å; Y169-K173 HydrophobicContact CE2-CG 4.42Å; Y169-K173 PolarHBondContact O-N 2.93Å; Y169-L285 HydrophobicContact CD2-CD2 4.27Å; Y169-L285 HydrophobicContact CE2-CD2 3.55Å
170Y88.7Confident90.4Very high55 Ų5532 Ų3222%0.21614%0.143CC..Hα-helixtrans-56.6-46.5173.8177.8-85.9000111.8L142 D167 A168 R174L142-Y170 HydrophobicContact CB-CD1 4.37Å; L142-Y170 HydrophobicContact CB-CD2 4.28Å; L142-Y170 HydrophobicContact CB-CE1 4.2Å; L142-Y170 HydrophobicContact CB-CE2 4.13Å; L142-Y170 HydrophobicContact CB-CG 4.42Å; L142-Y170 HydrophobicContact CD1-CD1 3.64Å; L142-Y170 HydrophobicContact CD1-CE1 4.09Å; L142-Y170 HydrophobicContact CD1-CG 3.93Å; D167-Y170 WeakPolarHBondContact O-CB 3.38Å; D167-Y170 PolarHBondContact O-N 3.39Å; D167-Y170 WeakPolarHBondContact OD1-CB 3.44Å; D167-Y170 PolarHBondContact OD1-N 2.88Å; D167-Y170 WeakPolarHBondContact OD2-CB 3.37Å; A168-Y170 PolarHBondContact O-N 2.8Å; Y170-R174 VanDerWaalsContact CE1-CD 3.48Å; Y170-R174 HydrophobicContact CE1-CG 4.43Å; Y170-R174 PolarHBondContact O-N 2.88Å
171Y88.2Confident90.1Very high23 Ų2333.6 Ų33.69%0.0915%0.149CC..Hα-helixtrans-68.8-39.8178-62.6-78000111.9L142 D144 D167 A168 Y169 K173 R174 M175 L209 P210 W212L142-Y171 HydrophobicContact CD1-CE2 3.82Å; D144-Y171 WeakPolarHBondContact OD2-CE2 3.36Å; D144-Y171 PolarHBondContact OD2-OH 3.47Å; D167-Y171 WeakPolarHBondContact O-CD2 3.46Å; A168-Y171 PolarHBondContact O-N 2.82Å; Y169-Y171 VanDerWaalsContact C-N 3.33Å; Y169-Y171 PolarHBondContact O-N 2.84Å; Y171-K173 PolarHBondContact O-N 2.77Å; Y171-R174 PolarHBondContact O-N 3.19Å; Y171-R174 VanDerWaalsContact O-N 3.08Å; Y171-M175 WeakPolarHBondContact O-CG 3.49Å; Y171-M175 PolarHBondContact O-N 3.39Å; Y171-L209 HydrophobicContact CD1-CD2 4.4Å; Y171-P210 HydrophobicContact CD2-CG 4.28Å; Y171-P210 HydrophobicContact CE1-CG 4.15Å; Y171-P210 HydrophobicContact CE2-CB 4.5Å; Y171-P210 HydrophobicContact CE2-CG 3.63Å; Y171-W212 HydrophobicContact CD2-CH2 4.27Å; Y171-W212 HydrophobicContact CD2-CZ2 4.07Å; Y171-W212 HydrophobicContact CE2-CH2 4.33Å; Y171-W212 AromaticContact CE2-CZ2 3.68Å; Y171-W212 HydrophobicContact CE2-CZ2 3.68Å
172H88.5Confident89.9Confident11 Ų1141.4 Ų41.45%0.05119%0.186CC..Hα-helixtrans-58.2-45.7175.2-69.9164.5000112.7A168 Y169 R174 M175 V176 F217 P218 P220 L285A168-H172 PolarHBondContact O-N 2.92Å; Y169-H172 PolarHBondContact O-N 3.06Å; H172-R174 PolarHBondContact O-N 3.36Å; H172-M175 WeakPolarHBondContact O-CB 3.38Å; H172-M175 PolarHBondContact O-N 3.04Å; H172-V176 WeakPolarHBondContact O-CG2 3.38Å; H172-V176 PolarHBondContact O-N 3.23Å; H172-F217 AromaticContact CD2-CE1 3.55Å; H172-F217 AromaticContact CD2-CZ 3.99Å; H172-F217 AromaticContact NE2-CE1 3.42Å; H172-F217 WeakPolarHBondContact NE2-CE1 3.42Å; H172-F217 AromaticContact NE2-CZ 3.85Å; H172-P218 PolarHBondContact NE2-O 3.24Å; H172-P220 HydrophobicContact CB-CB 3.81Å; H172-P220 HydrophobicContact CB-CG 4.06Å; H172-L285 HydrophobicContact CB-CD1 3.54Å
173K87.7Confident89.8Confident31 Ų3143.1 Ų43.114%0.13520%0.197CC..Hα-helixtrans-57.4-34.3174.4-80.2-175.1-62.5-1740113V138 K139 Y169 Y171 V176 R177V138-K173 PolarHBondContact O-NZ 2.97Å; K139-K173 VanDerWaalsContact C-NZ 3.34Å; K139-K173 VanDerWaalsContact CA-NZ 3.28Å; K139-K173 PolarHBondContact O-NZ 3.43Å; Y169-K173 HydrophobicContact CD1-CD 4.04Å; Y169-K173 HydrophobicContact CD1-CG 4.33Å; Y169-K173 HydrophobicContact CE1-CD 3.38Å; Y169-K173 HydrophobicContact CE1-CG 3.87Å; Y169-K173 HydrophobicContact CE2-CG 4.42Å; Y169-K173 PolarHBondContact O-N 2.93Å; Y171-K173 PolarHBondContact O-N 2.77Å; K173-V176 WeakPolarHBondContact O-CG2 3.1Å; K173-R177 WeakPolarHBondContact O-CG 3.14Å
174R85.9Confident89.8Confident90 Ų9046.2 Ų46.234%0.3421%0.211SC..Hα-helixtrans-75.1-42.4176.9-69.3179.264.8168.62.2111.5Y170 Y171 H172 V176 R177 E207Y170-R174 VanDerWaalsContact CE1-CD 3.48Å; Y170-R174 HydrophobicContact CE1-CG 4.43Å; Y170-R174 PolarHBondContact O-N 2.88Å; Y171-R174 PolarHBondContact O-N 3.19Å; Y171-R174 VanDerWaalsContact O-N 3.08Å; H172-R174 PolarHBondContact O-N 3.36Å; R174-V176 VanDerWaalsContact C-N 3.26Å; R174-V176 PolarHBondContact O-N 3.32Å; R174-R177 WeakPolarHBondContact O-CB 3.26Å; R174-R177 PolarHBondContact O-N 2.88Å; R174-R177 VanDerWaalsContact O-N 3.08Å; R174-E207 VanDerWaalsContact CB-OE2 3.29Å; R174-E207 WeakPolarHBondContact CB-OE2 3.3Å; R174-E207 IonicContact CZ-OE1 3.35Å; R174-E207 VanDerWaalsContact CZ-OE1 3.29Å; R174-E207 IonicContact CZ-OE2 2.75Å; R174-E207 VanDerWaalsContact CZ-OE2 3.27Å; R174-E207 VanDerWaalsContact NE-CD 3.31Å; R174-E207 IonicContact NE-OE1 3.12Å; R174-E207 PolarHBondContact NE-OE1 3.09Å; R174-E207 VanDerWaalsContact NE-OE1 3.11Å; R174-E207 IonicContact NE-OE2 3.46Å; R174-E207 PolarHBondContact NE-OE2 3.34Å; R174-E207 IonicContact NH2-OE1 3.45Å; R174-E207 PolarHBondContact NH2-OE1 2.99Å; R174-E207 IonicContact NH2-OE2 3.84Å; R174-E207 PolarHBondContact NH2-OE2 3.41Å
175M86.8Confident89.8Confident36 Ų3648.9 Ų48.918%0.17722%0.221CC..Hα-helixtrans-56.5-41.2175.8-67.4179.9-17900111.9Y171 H172 R177 R178 L209 F217 P220 F221Y171-M175 WeakPolarHBondContact O-CG 3.49Å; Y171-M175 PolarHBondContact O-N 3.39Å; H172-M175 WeakPolarHBondContact O-CB 3.38Å; H172-M175 PolarHBondContact O-N 3.04Å; M175-R177 VanDerWaalsContact C-N 3.31Å; M175-R177 PolarHBondContact O-N 3.46Å; M175-R178 WeakPolarHBondContact O-CB 3.33Å; M175-R178 WeakPolarHBondContact O-CD 3.18Å; M175-R178 WeakPolarHBondContact O-CG 3.4Å; M175-R178 PolarHBondContact O-N 3.03Å; M175-L209 HydrophobicContact CE-CD1 4.23Å; M175-L209 HydrophobicContact CE-CD2 3.47Å; M175-L209 VanDerWaalsContact CE-CD2 3.47Å; M175-L209 HydrophobicContact CE-CG 4.38Å; M175-F217 HydrophobicContact CE-CD1 3.98Å; M175-F217 HydrophobicContact CE-CE1 3.55Å; M175-F217 HydrophobicContact CE-CZ 4.49Å; M175-F217 HydrophobicContact SD-CE1 4.37Å; M175-P220 HydrophobicContact CB-CG 4.15Å; M175-P220 HydrophobicContact SD-CG 3.99Å; M175-F221 HydrophobicContact CB-CE2 3.94Å; M175-F221 HydrophobicContact CB-CZ 4.16Å
176V89Confident89.9Confident10 Ų1050 Ų506%0.06123%0.227CC..Hα-helixtrans-74.1-15.1-179.8-61.20000113.8H172 K173 R174 R178 P220 F221 L285 Y291H172-V176 WeakPolarHBondContact O-CG2 3.38Å; H172-V176 PolarHBondContact O-N 3.23Å; K173-V176 WeakPolarHBondContact O-CG2 3.1Å; R174-V176 VanDerWaalsContact C-N 3.26Å; R174-V176 PolarHBondContact O-N 3.32Å; V176-R178 PolarHBondContact O-N 2.78Å; V176-R178 VanDerWaalsContact O-N 3.07Å; V176-P220 HydrophobicContact CG1-CB 4.19Å; V176-P220 HydrophobicContact CG1-CG 4.15Å; V176-F221 HydrophobicContact CB-CZ 4.38Å; V176-F221 HydrophobicContact CG1-CE1 3.88Å; V176-F221 HydrophobicContact CG1-CE2 4.47Å; V176-F221 HydrophobicContact CG1-CZ 3.72Å; V176-L285 HydrophobicContact CG1-CB 4.22Å; V176-L285 HydrophobicContact CG1-CD1 4.29Å; V176-L285 HydrophobicContact CG2-CB 4.13Å; V176-Y291 VanDerWaalsContact CB-OH 3.29Å; V176-Y291 WeakPolarHBondContact CB-OH 3.29Å; V176-Y291 VanDerWaalsContact O-CE1 3.26Å; V176-Y291 WeakPolarHBondContact O-CE1 3.17Å; V176-Y291 PolarHBondContact O-OH 2.95Å
177R86.9Confident90.1Very high199 Ų19954 Ų5475%0.75125%0.253SS*.THydrogen-bonded Turntrans-73.48.3173-73.4172.6-178.5-177.40.2113.8K173 R174 M175K173-R177 WeakPolarHBondContact O-CG 3.14Å; R174-R177 WeakPolarHBondContact O-CB 3.26Å; R174-R177 PolarHBondContact O-N 2.88Å; R174-R177 VanDerWaalsContact O-N 3.08Å; M175-R177 VanDerWaalsContact C-N 3.31Å; M175-R177 PolarHBondContact O-N 3.46Å
178R87.6Confident90.2Very high30 Ų3057.8 Ų57.811%0.11328%0.278CS..SBendtrans-75150.7178.167.8-175.6162.3-177.31.3112.5M175 V176 C200 T203 N261 Y291M175-R178 WeakPolarHBondContact O-CB 3.33Å; M175-R178 WeakPolarHBondContact O-CD 3.18Å; M175-R178 WeakPolarHBondContact O-CG 3.4Å; M175-R178 PolarHBondContact O-N 3.03Å; V176-R178 PolarHBondContact O-N 2.78Å; V176-R178 VanDerWaalsContact O-N 3.07Å; R178-C200 PolarHBondContact NE-O 3.11Å; R178-C200 VanDerWaalsContact NE-O 3.16Å; R178-C200 PolarHBondContact NH1-O 3.12Å; R178-C200 VanDerWaalsContact NH1-O 3.15Å; R178-C200 PolarHBondContact NH2-O 2.9Å; R178-T203 VanDerWaalsContact NH1-CG2 3.34Å; R178-N261 PolarHBondContact NH1-O 3.12Å; R178-N261 PolarHBondContact NH2-O 2.8Å; R178-Y291 HydrophobicContact CG-CD1 4Å; R178-Y291 HydrophobicContact CG-CE1 3.98Å
179P90.3Very high90.4Very high47 Ų4758.1 Ų58.131%0.30528%0.28SS..PPolyproline II helixtrans-63.5148.3177.5-19.331.4000112.6G201 Q202 K204P179-G201 WeakPolarHBondContact O-CA 3.43Å; P179-Q202 HydrophobicContact CB-CB 4.24Å; P179-Q202 PolarHBondContact O-N 3.42Å; P179-K204 HydrophobicContact CG-CD 3.83Å; P179-K204 HydrophobicContact CG-CG 4.32Å
180V91Very high90.7Very high82 Ų8257.4 Ų57.450%0.49728%0.278SS..PPolyproline II helixtrans-67.1143169.7-59.10000110.4A289 V290V180-A289 HydrophobicContact CG1-CB 4.39Å; V180-V290 WeakPolarHBondContact CG1-O 3.4Å
181K91.2Very high90.8Very high38 Ų3857 Ų5717%0.16528%0.28CS..PPolyproline II helixtrans-89.8143.4173.1-165.9174.5-179.1-173.70108.9E184 E199 Q202 Y291 S292K181-E184 WeakPolarHBondContact CE-OE1 3.4Å; K181-E184 IonicContact NZ-OE1 2.72Å; K181-E184 PolarHBondContact NZ-OE1 3.1Å; K181-E184 IonicContact NZ-OE2 3.69Å; K181-E199 IonicContact NZ-OE2 3.35Å; K181-E199 PolarHBondContact NZ-OE2 3.17Å; K181-Q202 HydrophobicContact CB-CG 4.28Å; K181-Q202 HydrophobicContact CG-CG 4.41Å; K181-Y291 WeakPolarHBondContact CB-O 3.34Å; K181-Y291 PolarHBondContact N-O 3.46Å; K181-S292 WeakPolarHBondContact CB-OG 3.43Å
182Q91Very high91.1Very high170 Ų17057.2 Ų57.279%0.79428%0.282SS*.PPolyproline II helixtrans-62.8152173.8-71.1-176.8-5.100110.5E184Q182-E184 PolarHBondContact O-N 2.84Å
183T93.4Very high91.3Very high44 Ų4459 Ų5927%0.2729%0.292SS..PPolyproline II helixtrans-55.7129.3176.4-56.90000110.3Y185 S236 T293 F295T183-Y185 HydrophobicContact CG2-CE1 4.4Å; T183-Y185 HydrophobicContact CG2-CE2 4.06Å; T183-S236 PolarHBondContact OG1-OG 3.29Å; T183-S236 VanDerWaalsContact OG1-OG 3.11Å; T183-T293 WeakPolarHBondContact CA-O 3.37Å; T183-F295 HydrophobicContact CG2-CD2 3.62Å; T183-F295 HydrophobicContact CG2-CE2 4.22Å
184E94.8Very high91.6Very high69 Ų6958.1 Ų58.132%0.32229%0.288SS..EExtended strand (participates in β ladder)trans-103.9143.9174.8-73.7-168.5-177.600111.1K181 Q182 T293 Y294 F295K181-E184 WeakPolarHBondContact CE-OE1 3.4Å; K181-E184 IonicContact NZ-OE1 2.72Å; K181-E184 PolarHBondContact NZ-OE1 3.1Å; K181-E184 IonicContact NZ-OE2 3.69Å; Q182-E184 PolarHBondContact O-N 2.84Å; E184-T293 PolarHBondContact N-O 2.78Å; E184-Y294 HydrophobicContact CB-CD1 3.78Å; E184-Y294 HydrophobicContact CB-CE1 3.84Å; E184-Y294 HydrophobicContact CG-CE1 4.33Å; E184-Y294 WeakPolarHBondContact O-CA 3.21Å; E184-Y294 VanDerWaalsContact OE2-CE1 3.22Å; E184-Y294 WeakPolarHBondContact OE2-CE1 3.46Å; E184-F295 PolarHBondContact O-N 3.01Å
185Y94.9Very high92.1Very high64 Ų6454.2 Ų54.225%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-112.2115.3179.6-63.7-84.9000109.3T183 F295 G296 G297 S298 N299 P302T183-Y185 HydrophobicContact CG2-CE1 4.4Å; T183-Y185 HydrophobicContact CG2-CE2 4.06Å; Y185-F295 CarbonylContact C-O 3.59Å; Y185-F295 VanDerWaalsContact CA-O 3.27Å; Y185-F295 WeakPolarHBondContact CA-O 3.34Å; Y185-F295 HydrophobicContact CD1-CB 4.02Å; Y185-F295 HydrophobicContact CE1-CB 4.02Å; Y185-G296 WeakPolarHBondContact CD1-O 3.43Å; Y185-G297 WeakPolarHBondContact CB-O 3.36Å; Y185-S298 WeakPolarHBondContact CE1-O 3.24Å; Y185-N299 HydrophobicContact CD2-CB 4.38Å; Y185-N299 HydrophobicContact CE2-CB 3.81Å; Y185-P302 HydrophobicContact CE1-CB 3.91Å; Y185-P302 HydrophobicContact CE1-CG 4.1Å
186L95.4Very high92.5Very high25 Ų2554 Ų5413%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-96.9147.3-179-57.4179.6000110.5L189 L196 L198 Y294 F295 G296 L305L186-L189 HydrophobicContact CB-CD2 4.46Å; L186-L189 HydrophobicContact CD1-CD2 4.42Å; L186-L196 HydrophobicContact CD1-CD2 4.27Å; L186-L198 HydrophobicContact CD1-CD2 4.04Å; L186-Y294 HydrophobicContact CD1-CD1 3.95Å; L186-Y294 HydrophobicContact CD1-CG 4.49Å; L186-Y294 HydrophobicContact CD2-CD1 4.28Å; L186-Y294 HydrophobicContact CG-CD1 4.14Å; L186-F295 PolarHBondContact N-O 3.22Å; L186-G296 WeakPolarHBondContact O-CA 3.46Å; L186-L305 HydrophobicContact CB-CD2 3.78Å; L186-L305 HydrophobicContact CD1-CD2 3.99Å; L186-L305 HydrophobicContact CG-CD2 4.2Å
187P93.2Very high92.8Very high83 Ų8356.1 Ų56.154%0.53929%0.289SS..PPolyproline II helixtrans-63.9166.5167.130.3-35.2000110.8L189P187-L189 PolarHBondContact O-N 3.03Å; P187-L189 VanDerWaalsContact O-N 3.11Å
188P92.5Very high93.2Very high80 Ų8047 Ų4752%0.51926%0.255SS..PPolyproline II helixtrans-48.9121.4167.2-2736.1000110.3T306P188-T306 WeakPolarHBondContact CA-OG1 3.32Å; P188-T306 VanDerWaalsContact CB-OG1 3.29Å; P188-T306 WeakPolarHBondContact CB-OG1 3.41Å
189L94Very high93.6Very high8 Ų849.9 Ų49.94%0.04227%0.27CS..BIsolated β-bridgetrans-75.2144.9-177.5-61.5-178.8000109.6L186 P187 L196 T306 Y307 D308L186-L189 HydrophobicContact CB-CD2 4.46Å; L186-L189 HydrophobicContact CD1-CD2 4.42Å; P187-L189 PolarHBondContact O-N 3.03Å; P187-L189 VanDerWaalsContact O-N 3.11Å; L189-L196 HydrophobicContact CD1-CD2 4.24Å; L189-L196 HydrophobicContact CD2-CD2 3.8Å; L189-T306 PolarHBondContact N-O 2.88Å; L189-Y307 HydrophobicContact CB-CD2 3.82Å; L189-Y307 HydrophobicContact CB-CE2 4.49Å; L189-Y307 CarbonylContact O-C 3.49Å; L189-Y307 VanDerWaalsContact O-CA 3.26Å; L189-Y307 WeakPolarHBondContact O-CA 3.45Å; L189-D308 PolarHBondContact O-N 3.44Å
190S93.8Very high93.7Very high10 Ų1047.7 Ų47.77%0.0726%0.256CS..  trans-134176.3174.5730000110.2N192 D193S190-N192 PolarHBondContact O-N 3.42Å; S190-N192 PolarHBondContact OG-N 3.18Å; S190-D193 PolarHBondContact N-OD2 2.82Å; S190-D193 PolarHBondContact O-N 2.8Å; S190-D193 PolarHBondContact OG-OD2 2.86Å
191I91.8Very high93.8Very high48 Ų4843.8 Ų43.825%0.24623%0.233CC..THydrogen-bonded Turntrans-60.5-25175.1-162164.4000113D193 L194 Y307 F313 P348I191-D193 VanDerWaalsContact C-N 3.31Å; I191-D193 PolarHBondContact O-N 2.03Å; I191-L194 PolarHBondContact O-N 3.09Å; I191-Y307 PolarHBondContact N-OH 2.93Å; I191-F313 HydrophobicContact CG1-CD2 4.48Å; I191-F313 HydrophobicContact CG2-CB 4.03Å; I191-F313 HydrophobicContact CG2-CD2 4.34Å; I191-P348 HydrophobicContact CD1-CG 3.75Å
192N92.8Very high93.6Very high26 Ų2645.9 Ų45.914%0.13924%0.243CC..THydrogen-bonded Turntrans-75.3-20-178.4-63.6-62.4000113.5S190 P312 F313 I314 R345S190-N192 PolarHBondContact O-N 3.42Å; S190-N192 PolarHBondContact OG-N 3.18Å; N192-P312 PolarHBondContact ND2-O 2.72Å; N192-F313 WeakPolarHBondContact OD1-CA 3.18Å; N192-I314 PolarHBondContact OD1-N 2.99Å; N192-R345 VanDerWaalsContact O-CZ 3.27Å; N192-R345 PolarHBondContact O-NE 3.27Å
193D93.5Very high92.7Very high50 Ų5041.5 Ų41.527%0.26723%0.228SC..THydrogen-bonded Turntrans-81.8-24.1178.8-57.4-64.3000111.6S190 I191 P195 R345S190-D193 PolarHBondContact N-OD2 2.82Å; S190-D193 PolarHBondContact O-N 2.8Å; S190-D193 PolarHBondContact OG-OD2 2.86Å; I191-D193 VanDerWaalsContact C-N 3.31Å; I191-D193 PolarHBondContact O-N 2.03Å; D193-P195 CarbonylContact O-C 3.38Å; D193-R345 PolarHBondContact O-NH2 2.88Å
194L94.2Very high91.1Very high11 Ų1146.8 Ų46.86%0.05825%0.247CC..PPolyproline II helixtrans-79.8147-177.7-56.4-179.1000111.9I191 L196 F254 L266 Y267 Y307 R345I191-L194 PolarHBondContact O-N 3.09Å; L194-L196 HydrophobicContact CD2-CB 4.05Å; L194-F254 HydrophobicContact CD1-CD1 4.48Å; L194-F254 HydrophobicContact CD1-CE1 4.09Å; L194-F254 HydrophobicContact CD2-CE1 4.29Å; L194-L266 HydrophobicContact CD2-CB 4.03Å; L194-Y267 WeakPolarHBondContact CB-O 3.5Å; L194-Y307 HydrophobicContact CD1-CE2 4.26Å; L194-R345 WeakPolarHBondContact O-CD 3.45Å; L194-R345 VanDerWaalsContact O-CG 3.25Å; L194-R345 WeakPolarHBondContact O-CG 3.47Å; L194-R345 PolarHBondContact O-NE 2.86Å
195P95.2Very high89.1Confident8 Ų849.3 Ų49.35%0.05227%0.267CS..SBendcis-71132.8-6.729.1-33.6000111.8D193 V265 L266 Y267 L321 K343 Y344D193-P195 CarbonylContact O-C 3.38Å; P195-V265 HydrophobicContact CB-CG1 4.09Å; P195-L266 CarbonylContact C-O 3.44Å; P195-L266 WeakPolarHBondContact CA-O 3.17Å; P195-Y267 HydrophobicContact CB-CD1 3.68Å; P195-Y267 HydrophobicContact CB-CE1 4.05Å; P195-Y267 HydrophobicContact CB-CG 4.48Å; P195-Y267 HydrophobicContact CG-CD1 4.45Å; P195-L321 HydrophobicContact CG-CD1 4Å; P195-K343 HydrophobicContact CG-CB 4.01Å; P195-K343 HydrophobicContact CG-CG 4.42Å; P195-Y344 WeakPolarHBondContact CD-O 3.2Å
196L95.7Very high87.5Confident33 Ų3351.6 Ų51.617%0.17329%0.292CS..EExtended strand (participates in β ladder)trans-103.5127-177.7179.563.3000109.7L186 L189 L194 L198 V265 L266L186-L196 HydrophobicContact CD1-CD2 4.27Å; L189-L196 HydrophobicContact CD1-CD2 4.24Å; L189-L196 HydrophobicContact CD2-CD2 3.8Å; L194-L196 HydrophobicContact CD2-CB 4.05Å; L196-L198 HydrophobicContact CD1-CD2 4.32Å; L196-L198 HydrophobicContact CD2-CD1 4.49Å; L196-L198 HydrophobicContact CD2-CD2 3.97Å; L196-L198 HydrophobicContact CD2-CG 4.38Å; L196-L198 HydrophobicContact CG-CD2 3.9Å; L196-L198 HydrophobicContact CG-CG 4.2Å; L196-V265 CarbonylContact O-C 3.47Å; L196-V265 WeakPolarHBondContact O-CA 3.42Å; L196-L266 HydrophobicContact CB-CB 4.5Å; L196-L266 PolarHBondContact N-O 2.91Å; L196-L266 PolarHBondContact O-N 2.99Å
197S95.6Very high86Confident53 Ų5354.2 Ų54.237%0.37130%0.304SS..EExtended strand (participates in β ladder)trans-102.5128.1176.7-59.50000110.3L264S197-L264 CarbonylContact C-O 3.55Å; S197-L264 WeakPolarHBondContact CA-O 3.26Å
198L96.2Very high85Confident7 Ų754.9 Ų54.94%0.03732%0.316CS..EExtended strand (participates in β ladder)trans-124.4125.5-178-57.5176.2000109.6L186 L196 W223 T263 L264 L266 L279 Y294L186-L198 HydrophobicContact CD1-CD2 4.04Å; L196-L198 HydrophobicContact CD1-CD2 4.32Å; L196-L198 HydrophobicContact CD2-CD1 4.49Å; L196-L198 HydrophobicContact CD2-CD2 3.97Å; L196-L198 HydrophobicContact CD2-CG 4.38Å; L196-L198 HydrophobicContact CG-CD2 3.9Å; L196-L198 HydrophobicContact CG-CG 4.2Å; L198-W223 HydrophobicContact CB-CH2 3.78Å; L198-W223 HydrophobicContact CB-CZ2 4.41Å; L198-W223 HydrophobicContact CB-CZ3 4.35Å; L198-W223 WeakPolarHBondContact O-CZ2 3.26Å; L198-T263 CarbonylContact O-C 3.51Å; L198-T263 WeakPolarHBondContact O-CA 3.45Å; L198-T263 WeakPolarHBondContact O-CG2 3.09Å; L198-L264 HydrophobicContact CB-CB 4.5Å; L198-L264 HydrophobicContact CD1-CD2 4.47Å; L198-L264 PolarHBondContact N-O 3.39Å; L198-L264 PolarHBondContact O-N 3.03Å; L198-L266 HydrophobicContact CD1-CD1 4.27Å; L198-L279 HydrophobicContact CD1-CD2 3.39Å; L198-Y294 HydrophobicContact CB-CE1 4.29Å; L198-Y294 HydrophobicContact CB-CE2 4.16Å; L198-Y294 HydrophobicContact CD1-CG 4.46Å; L198-Y294 HydrophobicContact CD2-CD1 3.88Å; L198-Y294 HydrophobicContact CD2-CE1 3.65Å; L198-Y294 HydrophobicContact CG-CE1 4.44Å
199E94.4Very high84.4Confident91 Ų9154.2 Ų54.243%0.42531%0.308SS..  trans-80.8149.2-177.4-63.4178.8153.700111.5K181 W223 S292 Y294K181-E199 IonicContact NZ-OE2 3.35Å; K181-E199 PolarHBondContact NZ-OE2 3.17Å; E199-W223 WeakPolarHBondContact O-CH2 3.5Å; E199-S292 WeakPolarHBondContact O-CB 3.28Å; E199-S292 PolarHBondContact O-OG 2.86Å; E199-Y294 PolarHBondContact N-OH 2.78Å; E199-Y294 PolarHBondContact O-OH 3.32Å
200C93.8Very high83.7Confident2 Ų254.9 Ų54.91%0.01431%0.313CS..  trans-111.7108.8173.6-177.60000110.4R178 F221 W223 G262 C281 Y291R178-C200 PolarHBondContact NE-O 3.11Å; R178-C200 VanDerWaalsContact NE-O 3.16Å; R178-C200 PolarHBondContact NH1-O 3.12Å; R178-C200 VanDerWaalsContact NH1-O 3.15Å; R178-C200 PolarHBondContact NH2-O 2.9Å; C200-F221 WeakPolarHBondContact SG-CD1 3.27Å; C200-W223 HydrophobicContact CB-CZ2 3.73Å; C200-G262 WeakPolarHBondContact CB-O 3.35Å; C200-C281 HydrophobicContact CB-CB 3.75Å; C200-C281 WeakPolarHBondContact CB-SG 3.37Å; C200-C281 WeakPolarHBondContact SG-CB 3.42Å; C200-C281 CovalentContact SG-SG 2.01Å; C200-C281 PolarHBondContact SG-SG 3.48Å; C200-Y291 WeakPolarHBondContact SG-CB 3.48Å
201G91.8Very high82.9Confident0 Ų060.1 Ų60.10%035%0.349CS..SBendtrans70.5179.4-176.200000113P179 Y291 S292P179-G201 WeakPolarHBondContact O-CA 3.43Å; G201-Y291 VanDerWaalsContact CA-O 3.31Å; G201-Y291 WeakPolarHBondContact CA-O 3.33Å; G201-Y291 PolarHBondContact N-O 2.92Å; G201-S292 PolarHBondContact N-OG 3.26Å
202Q87.4Confident82.2Confident82 Ų8258.8 Ų58.838%0.38334%0.341SS..  trans-90107.6173.2-65.1-175.2-20.600109.7P179 K181 K204P179-Q202 HydrophobicContact CB-CB 4.24Å; P179-Q202 PolarHBondContact O-N 3.42Å; K181-Q202 HydrophobicContact CB-CG 4.28Å; K181-Q202 HydrophobicContact CG-CG 4.41Å; Q202-K204 PolarHBondContact O-N 3.04Å
203T71.6Confident81.5Confident77 Ų7758.4 Ų58.447%0.47234%0.342SS..  trans-72.789.6172.230.60000110.3R178R178-T203 VanDerWaalsContact NH1-CG2 3.34Å
204K61.2Low80.4Confident156 Ų15657.1 Ų57.168%0.67834%0.335SS*.  trans-71.7-29.9-175.6-79.4-168.5171.2175.90114.5P179 Q202P179-K204 HydrophobicContact CG-CD 3.83Å; P179-K204 HydrophobicContact CG-CG 4.32Å; Q202-K204 PolarHBondContact O-N 3.04Å
205V53.2Low79.5Confident121 Ų12158.6 Ų58.673%0.73335%0.349SS*.  trans-159.4135.8169.8179.80000105.9E207V205-E207 PolarHBondContact O-N 2.96Å
206S60.9Low78.6Confident112 Ų11258.7 Ų58.778%0.78335%0.35SS*.  trans-67.1102.1166.1-175.80000107.2A208S206-A208 PolarHBondContact O-N 3.46Å
207E62.6Low78Confident80 Ų8057.5 Ų57.537%0.37434%0.344SS..  trans-56.4136.4169.6-68.8-173.9155.300108.7R174 V205 L209R174-E207 VanDerWaalsContact CB-OE2 3.29Å; R174-E207 WeakPolarHBondContact CB-OE2 3.3Å; R174-E207 IonicContact CZ-OE1 3.35Å; R174-E207 VanDerWaalsContact CZ-OE1 3.29Å; R174-E207 IonicContact CZ-OE2 2.75Å; R174-E207 VanDerWaalsContact CZ-OE2 3.27Å; R174-E207 VanDerWaalsContact NE-CD 3.31Å; R174-E207 IonicContact NE-OE1 3.12Å; R174-E207 PolarHBondContact NE-OE1 3.09Å; R174-E207 VanDerWaalsContact NE-OE1 3.11Å; R174-E207 IonicContact NE-OE2 3.46Å; R174-E207 PolarHBondContact NE-OE2 3.34Å; R174-E207 IonicContact NH2-OE1 3.45Å; R174-E207 PolarHBondContact NH2-OE1 2.99Å; R174-E207 IonicContact NH2-OE2 3.84Å; R174-E207 PolarHBondContact NH2-OE2 3.41Å; V205-E207 PolarHBondContact O-N 2.96Å; E207-L209 PolarHBondContact O-N 3.03Å
208A73.2Confident77.3Confident98 Ų9857.5 Ų57.581%0.8134%0.342SS*.  trans-65.1109178.800000108.4S206S206-A208 PolarHBondContact O-N 3.46Å
209L78.7Confident76.9Confident65 Ų6558.7 Ų58.734%0.3435%0.351SS..  trans-65.5149.9172.4-69.7173.2000109.7Y171 M175 E207 A213 F217Y171-L209 HydrophobicContact CD1-CD2 4.4Å; M175-L209 HydrophobicContact CE-CD1 4.23Å; M175-L209 HydrophobicContact CE-CD2 3.47Å; M175-L209 VanDerWaalsContact CE-CD2 3.47Å; M175-L209 HydrophobicContact CE-CG 4.38Å; E207-L209 PolarHBondContact O-N 3.03Å; L209-A213 HydrophobicContact CB-CB 3.76Å; L209-A213 HydrophobicContact CD1-CB 4.42Å; L209-A213 HydrophobicContact CG-CB 4.48Å; L209-F217 HydrophobicContact CD2-CE1 4.45Å
210P80.2Confident76.7Confident23 Ų2355 Ų5515%0.14934%0.336CS..  trans-64.2159.5179.629.5-36.1000110.2Y171 W212 A213Y171-P210 HydrophobicContact CD2-CG 4.28Å; Y171-P210 HydrophobicContact CE1-CG 4.15Å; Y171-P210 HydrophobicContact CE2-CB 4.5Å; Y171-P210 HydrophobicContact CE2-CG 3.63Å; P210-W212 HydrophobicContact CB-CD2 4.4Å; P210-W212 HydrophobicContact CB-CG 4.29Å; P210-W212 HydrophobicContact CG-CD2 3.83Å; P210-W212 HydrophobicContact CG-CE3 4.49Å; P210-W212 HydrophobicContact CG-CG 4.22Å; P210-W212 HydrophobicContact CG-CH2 4.28Å; P210-W212 HydrophobicContact CG-CZ2 3.61Å; P210-W212 PolarHBondContact O-N 3.15Å; P210-W212 VanDerWaalsContact O-N 3.07Å; P210-A213 HydrophobicContact CG-CB 3.83Å; P210-A213 WeakPolarHBondContact O-CB 3.47Å; P210-A213 PolarHBondContact O-N 2.91Å
211S76.7Confident76.7Confident119 Ų11955.2 Ų55.283%0.83234%0.336SS*.THydrogen-bonded Turntrans-59.8-24.8-177.857.90000114
212W78.1Confident76.8Confident21 Ų2158.4 Ų58.48%0.0835%0.352CS..THydrogen-bonded Turntrans-80.4-17.6176.563.7-106.8000113.4D144 Q166 A168 Y171 P210 D214 F217D144-W212 PolarHBondContact OD2-NE1 2.78Å; Q166-W212 HydrophobicContact CB-CD2 4.01Å; Q166-W212 HydrophobicContact CB-CE3 4.07Å; Q166-W212 HydrophobicContact CB-CH2 3.89Å; Q166-W212 HydrophobicContact CB-CZ2 3.77Å; Q166-W212 HydrophobicContact CB-CZ3 4.04Å; Q166-W212 HydrophobicContact CG-CD2 3.75Å; Q166-W212 HydrophobicContact CG-CE3 4.06Å; Q166-W212 HydrophobicContact CG-CG 4.02Å; Q166-W212 HydrophobicContact CG-CZ2 4.37Å; A168-W212 HydrophobicContact CB-CH2 3.98Å; A168-W212 HydrophobicContact CB-CZ3 4.44Å; Y171-W212 HydrophobicContact CD2-CH2 4.27Å; Y171-W212 HydrophobicContact CD2-CZ2 4.07Å; Y171-W212 HydrophobicContact CE2-CH2 4.33Å; Y171-W212 AromaticContact CE2-CZ2 3.68Å; Y171-W212 HydrophobicContact CE2-CZ2 3.68Å; P210-W212 HydrophobicContact CB-CD2 4.4Å; P210-W212 HydrophobicContact CB-CG 4.29Å; P210-W212 HydrophobicContact CG-CD2 3.83Å; P210-W212 HydrophobicContact CG-CE3 4.49Å; P210-W212 HydrophobicContact CG-CG 4.22Å; P210-W212 HydrophobicContact CG-CH2 4.28Å; P210-W212 HydrophobicContact CG-CZ2 3.61Å; P210-W212 PolarHBondContact O-N 3.15Å; P210-W212 VanDerWaalsContact O-N 3.07Å; W212-D214 PolarHBondContact O-N 3.45Å; W212-F217 AromaticContact CH2-CE2 3.75Å; W212-F217 HydrophobicContact CH2-CE2 3.75Å; W212-F217 AromaticContact CZ3-CD2 4Å; W212-F217 HydrophobicContact CZ3-CD2 4Å; W212-F217 AromaticContact CZ3-CE2 3.63Å; W212-F217 HydrophobicContact CZ3-CE2 3.63Å
213A78.3Confident77.2Confident18 Ų1855.2 Ų55.215%0.14934%0.336CS..  trans-74.197.617500000108.7L209 P210 F217L209-A213 HydrophobicContact CB-CB 3.76Å; L209-A213 HydrophobicContact CD1-CB 4.42Å; L209-A213 HydrophobicContact CG-CB 4.48Å; P210-A213 HydrophobicContact CG-CB 3.83Å; P210-A213 WeakPolarHBondContact O-CB 3.47Å; P210-A213 PolarHBondContact O-N 2.91Å; A213-F217 HydrophobicContact CB-CB 4.47Å; A213-F217 HydrophobicContact CB-CD2 3.46Å; A213-F217 VanDerWaalsContact CB-CD2 3.46Å; A213-F217 HydrophobicContact CB-CE2 3.94Å; A213-F217 HydrophobicContact CB-CG 4.14Å
214D70.4Confident78.4Confident22 Ų2251.6 Ų51.612%0.11831%0.314CS..  trans-87.1-176-173.857.823.7000112.7W212 A216 F217 T329 R331W212-D214 PolarHBondContact O-N 3.45Å; D214-A216 PolarHBondContact O-N 2.95Å; D214-A216 WeakPolarHBondContact OD1-CA 3.47Å; D214-A216 WeakPolarHBondContact OD1-CB 3.24Å; D214-A216 PolarHBondContact OD1-N 3.36Å; D214-F217 WeakPolarHBondContact O-CB 3.34Å; D214-F217 PolarHBondContact O-N 3.24Å; D214-F217 PolarHBondContact OD1-N 3.36Å; D214-T329 WeakPolarHBondContact CB-O 3.41Å; D214-R331 WeakPolarHBondContact OD2-CB 3.46Å; D214-R331 PolarHBondContact OD2-N 3.3Å
215A73.8Confident80.1Confident43 Ų4344.2 Ų44.236%0.35528%0.282SS..THydrogen-bonded Turntrans-60.2-7.417600000113.9I328 T329 L338A215-I328 HydrophobicContact CB-CG2 3.76Å; A215-T329 PolarHBondContact N-O 3.23Å; A215-L338 HydrophobicContact CB-CD1 4.11Å
216A76.4Confident81.9Confident10 Ų1038.5 Ų38.58%0.08325%0.248CC..THydrogen-bonded Turntrans-106.68.9-177.900000112D214 V330 T336 L338D214-A216 PolarHBondContact O-N 2.95Å; D214-A216 WeakPolarHBondContact OD1-CA 3.47Å; D214-A216 WeakPolarHBondContact OD1-CB 3.24Å; D214-A216 PolarHBondContact OD1-N 3.36Å; A216-V330 HydrophobicContact CB-CG2 4.15Å; A216-T336 WeakPolarHBondContact CB-O 3.29Å; A216-L338 HydrophobicContact CB-CB 3.96Å; A216-L338 HydrophobicContact CB-CD1 4.14Å
217F83.8Confident83.1Confident8 Ų834.5 Ų34.54%0.03522%0.217CC..PPolyproline II helixtrans-57.8122.2179.3-165.9-92.7000111.4A168 H172 M175 L209 W212 A213 D214 P260A168-F217 HydrophobicContact CB-CE2 4Å; A168-F217 HydrophobicContact CB-CZ 4.06Å; H172-F217 AromaticContact CD2-CE1 3.55Å; H172-F217 AromaticContact CD2-CZ 3.99Å; H172-F217 AromaticContact NE2-CE1 3.42Å; H172-F217 WeakPolarHBondContact NE2-CE1 3.42Å; H172-F217 AromaticContact NE2-CZ 3.85Å; M175-F217 HydrophobicContact CE-CD1 3.98Å; M175-F217 HydrophobicContact CE-CE1 3.55Å; M175-F217 HydrophobicContact CE-CZ 4.49Å; M175-F217 HydrophobicContact SD-CE1 4.37Å; L209-F217 HydrophobicContact CD2-CE1 4.45Å; W212-F217 AromaticContact CH2-CE2 3.75Å; W212-F217 HydrophobicContact CH2-CE2 3.75Å; W212-F217 AromaticContact CZ3-CD2 4Å; W212-F217 HydrophobicContact CZ3-CD2 4Å; W212-F217 AromaticContact CZ3-CE2 3.63Å; W212-F217 HydrophobicContact CZ3-CE2 3.63Å; A213-F217 HydrophobicContact CB-CB 4.47Å; A213-F217 HydrophobicContact CB-CD2 3.46Å; A213-F217 VanDerWaalsContact CB-CD2 3.46Å; A213-F217 HydrophobicContact CB-CE2 3.94Å; A213-F217 HydrophobicContact CB-CG 4.14Å; D214-F217 WeakPolarHBondContact O-CB 3.34Å; D214-F217 PolarHBondContact O-N 3.24Å; D214-F217 PolarHBondContact OD1-N 3.36Å; F217-P260 HydrophobicContact CB-CB 4.44Å; F217-P260 WeakPolarHBondContact O-CB 3.37Å; F217-P260 VanDerWaalsContact O-CG 3.31Å; F217-P260 WeakPolarHBondContact O-CG 3.36Å
218P81.7Confident84Confident52 Ų5231.1 Ų31.134%0.33820%0.202SC..PPolyproline II helixtrans-67.2142.1-174.524.7-32.5000111.6H172H172-P218 PolarHBondContact NE2-O 3.24Å
219S87.8Confident83.8Confident32 Ų3231 Ų3122%0.22419%0.188CC..PPolyproline II helixtrans-80.8131.8172.91710000110.4F221 S259S219-F221 PolarHBondContact O-N 2.9Å; S219-F221 PolarHBondContact OG-N 2.66Å; S219-F221 VanDerWaalsContact OG-N 3.08Å; S219-F221 PolarHBondContact OG-O 2.67Å; S219-S259 WeakPolarHBondContact CB-O 3.49Å
220P89.4Confident82.7Confident15 Ų1532.6 Ų32.610%0.09720%0.204CC..SBendtrans-79.1-1.5171.633-33.4000112.9H172 M175 V176 S283 L285H172-P220 HydrophobicContact CB-CB 3.81Å; H172-P220 HydrophobicContact CB-CG 4.06Å; M175-P220 HydrophobicContact CB-CG 4.15Å; M175-P220 HydrophobicContact SD-CG 3.99Å; V176-P220 HydrophobicContact CG1-CB 4.19Å; V176-P220 HydrophobicContact CG1-CG 4.15Å; P220-S283 VanDerWaalsContact O-CB 3.31Å; P220-S283 WeakPolarHBondContact O-CB 3.4Å; P220-S283 PolarHBondContact O-OG 2.93Å; P220-L285 HydrophobicContact CB-CD1 3.91Å
221F92.9Very high81.4Confident6 Ų637.5 Ų37.53%0.02624%0.236CC..  trans-99.1139.7-178.9-57.5-82.8000111.6M175 V176 C200 S219 W282 Y291M175-F221 HydrophobicContact CB-CE2 3.94Å; M175-F221 HydrophobicContact CB-CZ 4.16Å; V176-F221 HydrophobicContact CB-CZ 4.38Å; V176-F221 HydrophobicContact CG1-CE1 3.88Å; V176-F221 HydrophobicContact CG1-CE2 4.47Å; V176-F221 HydrophobicContact CG1-CZ 3.72Å; C200-F221 WeakPolarHBondContact SG-CD1 3.27Å; S219-F221 PolarHBondContact O-N 2.9Å; S219-F221 PolarHBondContact OG-N 2.66Å; S219-F221 VanDerWaalsContact OG-N 3.08Å; S219-F221 PolarHBondContact OG-O 2.67Å; F221-W282 WeakPolarHBondContact CA-O 3.48Å; F221-Y291 AromaticContact CD1-CD2 3.87Å; F221-Y291 HydrophobicContact CD1-CD2 3.87Å; F221-Y291 HydrophobicContact CD1-CE2 4.12Å; F221-Y291 HydrophobicContact CD1-CG 4.28Å; F221-Y291 HydrophobicContact CE1-CD1 4.16Å; F221-Y291 AromaticContact CE1-CD2 3.81Å; F221-Y291 HydrophobicContact CE1-CD2 3.81Å; F221-Y291 HydrophobicContact CE1-CE1 4.11Å; F221-Y291 AromaticContact CE1-CE2 3.76Å; F221-Y291 HydrophobicContact CE1-CE2 3.76Å; F221-Y291 HydrophobicContact CE1-CG 4.03Å; F221-Y291 AromaticContact CE1-CZ 3.93Å
222M94.1Very high80.5Confident67 Ų6734.7 Ų34.733%0.3321%0.212SC..EExtended strand (participates in β ladder)trans-121.6150.1179.2-63.4179.670.500109.7C281 W282 H284M222-C281 WeakPolarHBondContact O-CA 3.37Å; M222-W282 HydrophobicContact CB-CD2 4.26Å; M222-W282 HydrophobicContact CB-CZ2 4.02Å; M222-W282 HydrophobicContact CE-CH2 4.14Å; M222-W282 HydrophobicContact CE-CZ2 3.98Å; M222-W282 PolarHBondContact N-O 3.08Å; M222-W282 PolarHBondContact O-N 2.81Å; M222-W282 HydrophobicContact SD-CH2 3.86Å; M222-W282 HydrophobicContact SD-CZ2 4.03Å; M222-W282 HydrophobicContact SD-CZ3 4.34Å; M222-H284 PolarHBondContact SD-CD2 3.12Å; M222-H284 PolarHBondContact SD-NE2 3.31Å
223W97.3Very high80.2Confident14 Ų1435.3 Ų35.35%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-122.3137.8178.2-71.383000110L198 E199 C200 V250 V258 G262 L264 L279 V280 C281 Y294L198-W223 HydrophobicContact CB-CH2 3.78Å; L198-W223 HydrophobicContact CB-CZ2 4.41Å; L198-W223 HydrophobicContact CB-CZ3 4.35Å; L198-W223 WeakPolarHBondContact O-CZ2 3.26Å; E199-W223 WeakPolarHBondContact O-CH2 3.5Å; C200-W223 HydrophobicContact CB-CZ2 3.73Å; W223-V250 HydrophobicContact CB-CG2 3.73Å; W223-V258 HydrophobicContact CG-CG2 4.5Å; W223-G262 PolarHBondContact NE1-O 2.98Å; W223-L264 HydrophobicContact CB-CD2 4Å; W223-L264 HydrophobicContact CD2-CB 3.73Å; W223-L264 HydrophobicContact CD2-CD2 3.59Å; W223-L264 HydrophobicContact CD2-CG 4.25Å; W223-L264 VanDerWaalsContact CE2-CB 3.42Å; W223-L264 HydrophobicContact CE3-CB 4.35Å; W223-L264 HydrophobicContact CE3-CD2 3.63Å; W223-L264 HydrophobicContact CG-CB 3.96Å; W223-L264 HydrophobicContact CG-CD1 4.41Å; W223-L264 HydrophobicContact CG-CD2 3.79Å; W223-L264 HydrophobicContact CG-CG 4.29Å; W223-L264 HydrophobicContact CH2-CB 4.31Å; W223-L264 HydrophobicContact CZ2-CB 3.74Å; W223-L264 HydrophobicContact CZ3-CD2 4.18Å; W223-L279 HydrophobicContact CE3-CD1 3.94Å; W223-L279 HydrophobicContact CE3-CD2 4.22Å; W223-L279 HydrophobicContact CE3-CG 3.79Å; W223-L279 HydrophobicContact CZ3-CD2 4.17Å; W223-L279 HydrophobicContact CZ3-CG 3.96Å; W223-V280 WeakPolarHBondContact CA-O 3.49Å; W223-C281 HydrophobicContact CD2-CB 3.73Å; W223-C281 HydrophobicContact CE3-CB 3.86Å; W223-C281 HydrophobicContact CG-CB 4.48Å; W223-C281 HydrophobicContact CH2-CB 3.89Å; W223-C281 HydrophobicContact CZ2-CB 3.7Å; W223-C281 HydrophobicContact CZ3-CB 3.94Å; W223-Y294 HydrophobicContact CH2-CD2 4.06Å; W223-Y294 AromaticContact CH2-CE2 3.48Å; W223-Y294 HydrophobicContact CH2-CE2 3.48Å; W223-Y294 VanDerWaalsContact CH2-CE2 3.48Å; W223-Y294 AromaticContact CZ3-CD2 3.77Å; W223-Y294 HydrophobicContact CZ3-CD2 3.77Å; W223-Y294 AromaticContact CZ3-CE2 3.7Å; W223-Y294 HydrophobicContact CZ3-CE2 3.7Å
224S96.5Very high80.5Confident1 Ų136.5 Ų36.51%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-142.2145.4-180-57.90000110.6S247 I248 V280 W282S224-S247 PolarHBondContact OG-OG 2.79Å; S224-I248 CarbonylContact C-O 3.48Å; S224-I248 VanDerWaalsContact CA-O 3.29Å; S224-I248 WeakPolarHBondContact CA-O 3.49Å; S224-V280 PolarHBondContact N-O 3.25Å; S224-V280 WeakPolarHBondContact O-CG1 3.49Å; S224-V280 PolarHBondContact O-N 3.44Å; S224-W282 PolarHBondContact OG-NE1 3.25Å
225F95.3Very high81.3Confident2 Ų241.2 Ų41.21%0.00925%0.25CC..EExtended strand (participates in β ladder)trans-80.2156.8164-71.9-66.5000110.6I248 V250 Y253 F254 W274 M277 G278 L279F225-I248 HydrophobicContact CB-CB 3.99Å; F225-I248 HydrophobicContact CB-CG2 3.93Å; F225-I248 PolarHBondContact N-O 3.28Å; F225-I248 WeakPolarHBondContact O-CB 3.33Å; F225-V250 HydrophobicContact CD2-CB 4.48Å; F225-V250 HydrophobicContact CD2-CG2 4.28Å; F225-V250 HydrophobicContact CE2-CB 4.1Å; F225-V250 HydrophobicContact CE2-CG1 3.89Å; F225-V250 HydrophobicContact CE2-CG2 4.16Å; F225-V250 HydrophobicContact CZ-CG1 4.25Å; F225-Y253 AromaticContact CD2-CD2 3.87Å; F225-Y253 HydrophobicContact CD2-CD2 3.87Å; F225-Y253 HydrophobicContact CD2-CG 4.49Å; F225-Y253 HydrophobicContact CE2-CD2 4.14Å; F225-Y253 HydrophobicContact CE2-CG 4.36Å; F225-F254 HydrophobicContact CE2-CD2 4.14Å; F225-F254 AromaticContact CZ-CD2 3.8Å; F225-F254 HydrophobicContact CZ-CD2 3.8Å; F225-F254 AromaticContact CZ-CE2 3.95Å; F225-F254 HydrophobicContact CZ-CE2 3.95Å; F225-W274 AromaticContact CE1-CH2 3.82Å; F225-W274 HydrophobicContact CE1-CH2 3.82Å; F225-W274 HydrophobicContact CE1-CZ3 4.43Å; F225-W274 AromaticContact CZ-CH2 3.92Å; F225-W274 HydrophobicContact CZ-CH2 3.92Å; F225-W274 HydrophobicContact CZ-CZ3 4.12Å; F225-M277 HydrophobicContact CB-CB 4.22Å; F225-M277 HydrophobicContact CB-CE 3.88Å; F225-M277 HydrophobicContact CB-SD 3.71Å; F225-M277 HydrophobicContact CD1-CB 4.16Å; F225-M277 HydrophobicContact CD1-CE 4.26Å; F225-M277 HydrophobicContact CD2-CE 4.18Å; F225-M277 HydrophobicContact CG-CE 3.86Å; F225-M277 HydrophobicContact CG-SD 4.35Å; F225-G278 CarbonylContact C-O 3.57Å; F225-G278 VanDerWaalsContact CA-O 3.26Å; F225-G278 WeakPolarHBondContact CA-O 3.41Å; F225-G278 WeakPolarHBondContact CD1-O 3.19Å; F225-L279 HydrophobicContact CD1-CB 4.07Å; F225-L279 HydrophobicContact CD1-CD1 3.9Å; F225-L279 HydrophobicContact CE1-CB 3.99Å; F225-L279 HydrophobicContact CE1-CD1 3.79Å; F225-L279 HydrophobicContact CE1-CD2 4.35Å; F225-L279 HydrophobicContact CE1-CG 4.26Å; F225-L279 HydrophobicContact CG-CD1 4.4Å; F225-L279 HydrophobicContact CZ-CD1 4.21Å
226C92.1Very high82.1Confident1 Ų140.5 Ų40.51%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-140.9130.7176.660.70000110.5V228 C239 R242 V243 M277 G278C226-V228 HydrophobicContact CB-CG2 4.36Å; C226-C239 HydrophobicContact CB-CB 3.98Å; C226-C239 WeakPolarHBondContact CB-SG 3.36Å; C226-C239 VanDerWaalsContact SG-CA 3.58Å; C226-C239 WeakPolarHBondContact SG-CB 3.37Å; C226-C239 CovalentContact SG-SG 2.01Å; C226-C239 PolarHBondContact SG-SG 3.29Å; C226-R242 HydrophobicContact CB-CB 4.21Å; C226-V243 HydrophobicContact CB-CG2 3.99Å; C226-M277 WeakPolarHBondContact O-CA 3.25Å; C226-M277 WeakPolarHBondContact O-CB 3.26Å; C226-G278 PolarHBondContact N-O 3.22Å; C226-G278 PolarHBondContact O-N 3.18Å; C226-G278 VanDerWaalsContact SG-C 3.56Å; C226-G278 VanDerWaalsContact SG-CA 3.56Å; C226-G278 PolarHBondContact SG-O 3.2Å; C226-G278 VanDerWaalsContact SG-O 3.42Å
227D86.6Confident82.6Confident27 Ų2742.9 Ų42.914%0.14426%0.262CS..  trans-90.9105.1170.969.7-19.7000110D229 R242 K275 M277D227-D229 PolarHBondContact O-N 2.82Å; D227-R242 PolarHBondContact O-NE 2.85Å; D227-R242 VanDerWaalsContact O-NE 3.09Å; D227-R242 IonicContact OD1-CZ 2.75Å; D227-R242 IonicContact OD1-NE 3.88Å; D227-R242 PolarHBondContact OD1-NE 2.88Å; D227-R242 VanDerWaalsContact OD1-NE 3.12Å; D227-R242 IonicContact OD1-NH2 3.78Å; D227-R242 PolarHBondContact OD1-NH2 3.16Å; D227-R242 IonicContact OD2-NH2 2.74Å; D227-R242 PolarHBondContact OD2-NH2 2.92Å; D227-K275 HydrophobicContact CB-CD 4.41Å; D227-K275 IonicContact OD2-NZ 3.12Å; D227-K275 PolarHBondContact OD2-NZ 2.82Å; D227-M277 HydrophobicContact CB-CG 4.38Å
228V80.9Confident82.8Confident10 Ų1042.6 Ų42.66%0.06126%0.261CS..  trans-100.389.8-177.7-170.70000108.6C226 G233 C239 L304C226-V228 HydrophobicContact CB-CG2 4.36Å; V228-G233 VanDerWaalsContact CG1-O 3.28Å; V228-G233 WeakPolarHBondContact CG1-O 3.49Å; V228-C239 HydrophobicContact CG2-CB 4.08Å; V228-L304 HydrophobicContact CB-CD2 4.23Å
229D68.2Low83.2Confident95 Ų9540.1 Ų40.151%0.50825%0.245SC..  trans-116.3108.4175.6-60.9-36000108.6D227 K275D227-D229 PolarHBondContact O-N 2.82Å; D229-K275 IonicContact OD2-NZ 3.86Å
230S55.3Low83.4Confident98 Ų9839 Ų3969%0.68524%0.237SC*.SBendtrans78.1175.3178.489.60000117.7D232S230-D232 PolarHBondContact O-N 3.4Å
231P52.8Low83.4Confident127 Ų12743.7 Ų43.783%0.82525%0.252SS*.SBend-65.2-0.9-93.237.1-31.6000114.8G233P231-G233 PolarHBondContact O-N 3.48Å; P231-G233 VanDerWaalsContact O-N 3.15Å
232D59.7Low83.2Confident59 Ų5947.2 Ų47.232%0.31627%0.266SS..SBendtrans-62.7-19.8-178.7-73.1-32.7000113.4S230 R241S230-D232 PolarHBondContact O-N 3.4Å; D232-R241 IonicContact OD1-CZ 2.97Å; D232-R241 IonicContact OD1-NH1 2.71Å; D232-R241 PolarHBondContact OD1-NH1 2.78Å; D232-R241 IonicContact OD2-CZ 3.06Å; D232-R241 IonicContact OD2-NH1 3.85Å; D232-R241 PolarHBondContact OD2-NH1 2.72Å
233G71.3Confident83Confident35 Ų3544.3 Ų44.336%0.36125%0.252SS..  trans70.8162.5-172.400000112.1V228 P231 Q235V228-G233 VanDerWaalsContact CG1-O 3.28Å; V228-G233 WeakPolarHBondContact CG1-O 3.49Å; P231-G233 PolarHBondContact O-N 3.48Å; P231-G233 VanDerWaalsContact O-N 3.15Å; G233-Q235 VanDerWaalsContact C-N 3.25Å; G233-Q235 PolarHBondContact O-N 3.1Å
234I84Confident82.6Confident42 Ų4251.4 Ų51.422%0.21528%0.278CS..SBendtrans-75.583.9178.7-61.4174.4000108.1F295 P302 L304I234-F295 HydrophobicContact CG2-CB 4.19Å; I234-F295 HydrophobicContact CG2-CD1 3.42Å; I234-F295 VanDerWaalsContact CG2-CD1 3.42Å; I234-F295 HydrophobicContact CG2-CD2 3.81Å; I234-F295 HydrophobicContact CG2-CE1 3.58Å; I234-F295 HydrophobicContact CG2-CE2 3.95Å; I234-F295 HydrophobicContact CG2-CG 3.55Å; I234-F295 HydrophobicContact CG2-CZ 3.85Å; I234-P302 HydrophobicContact CB-CB 3.81Å; I234-P302 WeakPolarHBondContact CD1-O 3.44Å; I234-P302 HydrophobicContact CG2-CB 3.77Å; I234-L304 HydrophobicContact CD1-CD2 4.34Å; I234-L304 HydrophobicContact CD1-CG 4.15Å; I234-L304 HydrophobicContact CG1-CD2 4.34Å; I234-L304 HydrophobicContact CG2-CD2 4.49Å
235Q87.9Confident82.2Confident121 Ų12157.1 Ų57.157%0.56531%0.305SS*.SBendtrans-139.4154.3-175.7-62.1-174.82.400111G233 A237 G238 C239G233-Q235 VanDerWaalsContact C-N 3.25Å; G233-Q235 PolarHBondContact O-N 3.1Å; Q235-A237 VanDerWaalsContact C-N 3.31Å; Q235-A237 PolarHBondContact O-N 3.35Å; Q235-G238 PolarHBondContact O-N 2.82Å; Q235-C239 PolarHBondContact O-N 2.91Å
236S89.5Confident81.9Confident28 Ų2861.5 Ų61.520%0.19633%0.332CS..Hα-helixtrans-55.2-42.3-178.9-56.90000113.4T183 C239 M240 T293T183-S236 PolarHBondContact OG1-OG 3.29Å; T183-S236 VanDerWaalsContact OG1-OG 3.11Å; S236-C239 PolarHBondContact O-N 3.47Å; S236-M240 PolarHBondContact O-N 3.42Å; S236-T293 VanDerWaalsContact CB-OG1 3.23Å; S236-T293 WeakPolarHBondContact CB-OG1 3.34Å; S236-T293 WeakPolarHBondContact OG-CB 3.39Å; S236-T293 PolarHBondContact OG-OG1 3.01Å
237A87.9Confident81.7Confident60 Ų6063.6 Ų63.650%0.49635%0.346SS..Hα-helixtrans-66.6-42.1-179.800000112.5Q235 M240 R241Q235-A237 VanDerWaalsContact C-N 3.31Å; Q235-A237 PolarHBondContact O-N 3.35Å; A237-M240 PolarHBondContact O-N 3.32Å; A237-R241 PolarHBondContact O-N 2.92Å
238G88.1Confident82Confident2 Ų263.6 Ų63.62%0.02135%0.346CS..Hα-helixtrans-63.1-46.3176.200000111.6Q235 M240 R241 R242Q235-G238 PolarHBondContact O-N 2.82Å; G238-M240 PolarHBondContact O-N 2.92Å; G238-R241 WeakPolarHBondContact O-CB 3.23Å; G238-R241 PolarHBondContact O-N 3.18Å; G238-R242 WeakPolarHBondContact O-CG 3.47Å; G238-R242 PolarHBondContact O-N 3.1Å; G238-R242 VanDerWaalsContact O-N 3.1Å
239C90.4Very high82.6Confident0 Ų067.7 Ų67.70%036%0.364CS..Hα-helixtrans-57.2-48.4175-179.90000112.4C226 V228 Q235 S236 R241 R242 V243 F295C226-C239 HydrophobicContact CB-CB 3.98Å; C226-C239 WeakPolarHBondContact CB-SG 3.36Å; C226-C239 VanDerWaalsContact SG-CA 3.58Å; C226-C239 WeakPolarHBondContact SG-CB 3.37Å; C226-C239 CovalentContact SG-SG 2.01Å; C226-C239 PolarHBondContact SG-SG 3.29Å; V228-C239 HydrophobicContact CG2-CB 4.08Å; Q235-C239 PolarHBondContact O-N 2.91Å; S236-C239 PolarHBondContact O-N 3.47Å; C239-R241 VanDerWaalsContact C-N 3.32Å; C239-R241 PolarHBondContact O-N 3.44Å; C239-R242 WeakPolarHBondContact O-CB 3.5Å; C239-R242 PolarHBondContact O-N 3.35Å; C239-R242 VanDerWaalsContact O-N 3.17Å; C239-V243 WeakPolarHBondContact O-CG2 3.48Å; C239-V243 PolarHBondContact O-N 3.01Å; C239-F295 HydrophobicContact CB-CZ 4.07Å
240M90.6Very high83.9Confident10 Ų1063.5 Ų63.55%0.04934%0.342CS..Hα-helixtrans-65-35.5179.4-167.864.5-124.500112.5S236 A237 G238 R242 V243 R244 V280 W282 V290S236-M240 PolarHBondContact O-N 3.42Å; A237-M240 PolarHBondContact O-N 3.32Å; G238-M240 PolarHBondContact O-N 2.92Å; M240-R242 VanDerWaalsContact C-N 3.33Å; M240-R242 PolarHBondContact O-N 2.93Å; M240-V243 HydrophobicContact CE-CB 3.83Å; M240-V243 HydrophobicContact CE-CG1 3.64Å; M240-V243 PolarHBondContact O-N 3.01Å; M240-R244 HydrophobicContact CE-CG 3.85Å; M240-R244 WeakPolarHBondContact O-CG 3.44Å; M240-R244 PolarHBondContact O-N 3.07Å; M240-V280 HydrophobicContact SD-CG2 4.46Å; M240-W282 HydrophobicContact CE-CB 4.16Å; M240-W282 HydrophobicContact CE-CD2 3.95Å; M240-W282 HydrophobicContact CE-CE3 4.21Å; M240-W282 HydrophobicContact CE-CG 3.93Å; M240-W282 HydrophobicContact SD-CB 3.71Å; M240-W282 HydrophobicContact SD-CG 3.99Å; M240-V290 HydrophobicContact CB-CG2 3.67Å; M240-V290 HydrophobicContact CG-CG2 3.73Å; M240-V290 HydrophobicContact SD-CG2 4.3Å
241R89.5Confident85.7Confident113 Ų11362.9 Ų62.943%0.42634%0.335SS..Hα-helixtrans-60.1-43.8173.6-172.7-176.8-64.8118.7-5.2111.3D232 A237 G238 C239 R244 Q245D232-R241 IonicContact OD1-CZ 2.97Å; D232-R241 IonicContact OD1-NH1 2.71Å; D232-R241 PolarHBondContact OD1-NH1 2.78Å; D232-R241 IonicContact OD2-CZ 3.06Å; D232-R241 IonicContact OD2-NH1 3.85Å; D232-R241 PolarHBondContact OD2-NH1 2.72Å; A237-R241 PolarHBondContact O-N 2.92Å; G238-R241 WeakPolarHBondContact O-CB 3.23Å; G238-R241 PolarHBondContact O-N 3.18Å; C239-R241 VanDerWaalsContact C-N 3.32Å; C239-R241 PolarHBondContact O-N 3.44Å; R241-R244 PolarHBondContact O-N 2.98Å; R241-Q245 WeakPolarHBondContact O-CG 3.19Å; R241-Q245 PolarHBondContact O-N 3.07Å
242R89Confident87.7Confident80 Ų8060.6 Ų60.630%0.30232%0.315SS..Hα-helixtrans-62.6-45.6175.2-64.6-66.7-69.5-176-4.1111.7C226 D227 G238 C239 M240 R244 Q245 T246C226-R242 HydrophobicContact CB-CB 4.21Å; D227-R242 PolarHBondContact O-NE 2.85Å; D227-R242 VanDerWaalsContact O-NE 3.09Å; D227-R242 IonicContact OD1-CZ 2.75Å; D227-R242 IonicContact OD1-NE 3.88Å; D227-R242 PolarHBondContact OD1-NE 2.88Å; D227-R242 VanDerWaalsContact OD1-NE 3.12Å; D227-R242 IonicContact OD1-NH2 3.78Å; D227-R242 PolarHBondContact OD1-NH2 3.16Å; D227-R242 IonicContact OD2-NH2 2.74Å; D227-R242 PolarHBondContact OD2-NH2 2.92Å; G238-R242 WeakPolarHBondContact O-CG 3.47Å; G238-R242 PolarHBondContact O-N 3.1Å; G238-R242 VanDerWaalsContact O-N 3.1Å; C239-R242 WeakPolarHBondContact O-CB 3.5Å; C239-R242 PolarHBondContact O-N 3.35Å; C239-R242 VanDerWaalsContact O-N 3.17Å; M240-R242 VanDerWaalsContact C-N 3.33Å; M240-R242 PolarHBondContact O-N 2.93Å; R242-R244 VanDerWaalsContact C-N 3.26Å; R242-R244 PolarHBondContact O-N 3Å; R242-Q245 WeakPolarHBondContact O-CB 3.43Å; R242-Q245 PolarHBondContact O-N 3.47Å; R242-T246 PolarHBondContact O-N 3.15Å
243V90.7Very high89.3Confident6 Ų659.7 Ų59.74%0.03631%0.308CS..Hα-helixtrans-58.8-37.6177.4172.20000112.4C226 C239 M240 Q245 T246 S247 V280 W282C226-V243 HydrophobicContact CB-CG2 3.99Å; C239-V243 WeakPolarHBondContact O-CG2 3.48Å; C239-V243 PolarHBondContact O-N 3.01Å; M240-V243 HydrophobicContact CE-CB 3.83Å; M240-V243 HydrophobicContact CE-CG1 3.64Å; M240-V243 PolarHBondContact O-N 3.01Å; V243-Q245 VanDerWaalsContact C-N 3.3Å; V243-Q245 PolarHBondContact O-N 3.27Å; V243-T246 CarbonylContact O-C 3.58Å; V243-S247 WeakPolarHBondContact O-CA 3.29Å; V243-S247 PolarHBondContact O-N 3.4Å; V243-V280 HydrophobicContact CG2-CG1 3.62Å; V243-W282 HydrophobicContact CG1-CZ2 4.21Å
244R88.5Confident90.4Very high163 Ų16358 Ų5862%0.61529%0.291SS*.Hα-helixtrans-67.5-28.7175.6-70.5177.9-175.3162.73.2113.4M240 R241 R242 S287M240-R244 HydrophobicContact CE-CG 3.85Å; M240-R244 WeakPolarHBondContact O-CG 3.44Å; M240-R244 PolarHBondContact O-N 3.07Å; R241-R244 PolarHBondContact O-N 2.98Å; R242-R244 VanDerWaalsContact C-N 3.26Å; R242-R244 PolarHBondContact O-N 3Å; R244-S287 PolarHBondContact NH2-O 2.88Å
245Q88.4Confident90.8Very high121 Ų12158.7 Ų58.757%0.56529%0.293SS*.Hα-helixtrans-83-44.1176.2-68.6173.1-1600111.5R241 R242 V243R241-Q245 WeakPolarHBondContact O-CG 3.19Å; R241-Q245 PolarHBondContact O-N 3.07Å; R242-Q245 WeakPolarHBondContact O-CB 3.43Å; R242-Q245 PolarHBondContact O-N 3.47Å; V243-Q245 VanDerWaalsContact C-N 3.3Å; V243-Q245 PolarHBondContact O-N 3.27Å
246T87.5Confident91Very high93 Ų9354 Ų5457%0.57127%0.273SS*.SBendtrans-149.2102.4-177.4-50.70000108.5R242 V243 I248R242-T246 PolarHBondContact O-N 3.15Å; V243-T246 CarbonylContact O-C 3.58Å; T246-I248 PolarHBondContact O-N 3.41Å
247S88.7Confident91.1Very high45 Ų4554.1 Ų54.132%0.31527%0.27SS..  trans-80.2116.4178.3-169.70000110.1S224 V243S224-S247 PolarHBondContact OG-OG 2.79Å; V243-S247 WeakPolarHBondContact O-CA 3.29Å; V243-S247 PolarHBondContact O-N 3.4Å
248I93.2Very high91.3Very high28 Ų2853.3 Ų53.314%0.14426%0.258CS..EExtended strand (participates in β ladder)trans-95.1112.4175.9-55.2174.1000108.1S224 F225 T246 Y253 M277S224-I248 CarbonylContact C-O 3.48Å; S224-I248 VanDerWaalsContact CA-O 3.29Å; S224-I248 WeakPolarHBondContact CA-O 3.49Å; F225-I248 HydrophobicContact CB-CB 3.99Å; F225-I248 HydrophobicContact CB-CG2 3.93Å; F225-I248 PolarHBondContact N-O 3.28Å; F225-I248 WeakPolarHBondContact O-CB 3.33Å; T246-I248 PolarHBondContact O-N 3.41Å; I248-Y253 HydrophobicContact CG2-CD2 4.25Å; I248-Y253 HydrophobicContact CG2-CE2 3.58Å; I248-M277 HydrophobicContact CD1-SD 3.84Å; I248-M277 HydrophobicContact CG2-SD 4.4Å
249H94Very high91.3Very high95 Ų9554.1 Ų54.144%0.4426%0.264SS..EExtended strand (participates in β ladder)trans-68.9135.8-178.6-65.4-82.6000111.7T251 N252H249-T251 PolarHBondContact O-N 3.38Å; H249-N252 VanDerWaalsContact O-CB 3.31Å; H249-N252 WeakPolarHBondContact O-CB 3.34Å; H249-N252 PolarHBondContact O-N 3.23Å
250V95.4Very high90.9Very high7 Ų755.6 Ų55.64%0.04227%0.274CS..G310 helixtrans-58-34.7176.8-1800000111.7W223 F225 N252 Y253 F254 L264 L266 L279W223-V250 HydrophobicContact CB-CG2 3.73Å; F225-V250 HydrophobicContact CD2-CB 4.48Å; F225-V250 HydrophobicContact CD2-CG2 4.28Å; F225-V250 HydrophobicContact CE2-CB 4.1Å; F225-V250 HydrophobicContact CE2-CG1 3.89Å; F225-V250 HydrophobicContact CE2-CG2 4.16Å; F225-V250 HydrophobicContact CZ-CG1 4.25Å; V250-N252 PolarHBondContact O-N 3.02Å; V250-N252 VanDerWaalsContact O-N 3.1Å; V250-Y253 PolarHBondContact O-N 3.34Å; V250-F254 HydrophobicContact CG1-CB 4.39Å; V250-F254 PolarHBondContact O-N 2.86Å; V250-L264 HydrophobicContact CG1-CD1 4.24Å; V250-L264 HydrophobicContact CG1-CD2 4.26Å; V250-L264 HydrophobicContact CG2-CD2 4.33Å; V250-L266 HydrophobicContact CG1-CD2 3.49Å; V250-L266 VanDerWaalsContact CG1-CD2 3.49Å; V250-L279 HydrophobicContact CG2-CD1 3.68Å
251T93.1Very high90.7Very high86 Ų8659 Ų5953%0.52829%0.292SS..G310 helixtrans-61.4-16.4177.851.10000114.4H249 Y253 F254H249-T251 PolarHBondContact O-N 3.38Å; T251-Y253 VanDerWaalsContact C-N 3.29Å; T251-F254 VanDerWaalsContact CA-O 3.32Å; T251-F254 WeakPolarHBondContact CA-O 3.11Å
252N93.6Very high90.7Very high79 Ų7953.6 Ų53.642%0.42227%0.271SS..G310 helixtrans-74.2-22.7176.1-64.6-1.5000112.4H249 V250 T270 S272H249-N252 VanDerWaalsContact O-CB 3.31Å; H249-N252 WeakPolarHBondContact O-CB 3.34Å; H249-N252 PolarHBondContact O-N 3.23Å; V250-N252 PolarHBondContact O-N 3.02Å; V250-N252 VanDerWaalsContact O-N 3.1Å; N252-T270 PolarHBondContact O-OG1 3Å; N252-S272 WeakPolarHBondContact O-CB 3.35Å; N252-S272 PolarHBondContact O-OG 3.13Å
253Y93.9Very high90.8Very high39 Ų3951 Ų5115%0.15327%0.265CS..THydrogen-bonded Turntrans-120-30.8-175.8-65.3-88.8000112.8F225 I248 V250 T251 R269 T270 A273 W274 M277F225-Y253 AromaticContact CD2-CD2 3.87Å; F225-Y253 HydrophobicContact CD2-CD2 3.87Å; F225-Y253 HydrophobicContact CD2-CG 4.49Å; F225-Y253 HydrophobicContact CE2-CD2 4.14Å; F225-Y253 HydrophobicContact CE2-CG 4.36Å; I248-Y253 HydrophobicContact CG2-CD2 4.25Å; I248-Y253 HydrophobicContact CG2-CE2 3.58Å; V250-Y253 PolarHBondContact O-N 3.34Å; T251-Y253 VanDerWaalsContact C-N 3.29Å; Y253-R269 CarbonylContact O-C 3.5Å; Y253-R269 WeakPolarHBondContact O-CA 3.18Å; Y253-R269 WeakPolarHBondContact O-CG 3.45Å; Y253-T270 WeakPolarHBondContact CA-OG1 3.31Å; Y253-T270 PolarHBondContact O-N 2.85Å; Y253-T270 PolarHBondContact O-OG1 3.3Å; Y253-T270 VanDerWaalsContact O-OG1 3.09Å; Y253-A273 WeakPolarHBondContact CE1-O 3.46Å; Y253-W274 AromaticContact CD1-CE3 3.9Å; Y253-W274 HydrophobicContact CD1-CE3 3.9Å; Y253-W274 HydrophobicContact CD1-CZ3 4.18Å; Y253-W274 HydrophobicContact CG-CE3 4.33Å; Y253-W274 HydrophobicContact CG-CZ3 4.16Å; Y253-M277 HydrophobicContact CD1-CE 4.19Å; Y253-M277 HydrophobicContact CD2-CE 3.86Å; Y253-M277 HydrophobicContact CE1-CE 3.9Å; Y253-M277 HydrophobicContact CE2-CE 3.58Å; Y253-M277 HydrophobicContact CE2-SD 4.44Å; Y253-M277 HydrophobicContact CG-CE 4.16Å
254F93.7Very high91.1Very high1 Ų150.8 Ų50.80%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-131.5135.8177.9-71.1-86.8000112.5L194 F225 V250 T251 S256 L266 K268 R269 W274 Y307L194-F254 HydrophobicContact CD1-CD1 4.48Å; L194-F254 HydrophobicContact CD1-CE1 4.09Å; L194-F254 HydrophobicContact CD2-CE1 4.29Å; F225-F254 HydrophobicContact CE2-CD2 4.14Å; F225-F254 AromaticContact CZ-CD2 3.8Å; F225-F254 HydrophobicContact CZ-CD2 3.8Å; F225-F254 AromaticContact CZ-CE2 3.95Å; F225-F254 HydrophobicContact CZ-CE2 3.95Å; V250-F254 HydrophobicContact CG1-CB 4.39Å; V250-F254 PolarHBondContact O-N 2.86Å; T251-F254 VanDerWaalsContact CA-O 3.32Å; T251-F254 WeakPolarHBondContact CA-O 3.11Å; F254-S256 PolarHBondContact O-N 3.12Å; F254-S256 VanDerWaalsContact O-N 3.12Å; F254-S256 PolarHBondContact O-OG 3.42Å; F254-S256 VanDerWaalsContact O-OG 3.06Å; F254-L266 HydrophobicContact CB-CD2 3.84Å; F254-L266 HydrophobicContact CD1-CB 4.21Å; F254-L266 HydrophobicContact CD2-CD1 4.33Å; F254-L266 HydrophobicContact CD2-CD2 4.24Å; F254-L266 HydrophobicContact CE2-CD1 4.37Å; F254-L266 HydrophobicContact CG-CB 4.36Å; F254-L266 HydrophobicContact CG-CD1 4.46Å; F254-L266 HydrophobicContact CG-CD2 4.05Å; F254-K268 CarbonylContact C-O 3.52Å; F254-K268 VanDerWaalsContact CA-O 3.27Å; F254-K268 WeakPolarHBondContact CA-O 3.25Å; F254-R269 HydrophobicContact CD1-CB 4.38Å; F254-R269 HydrophobicContact CE1-CB 4.17Å; F254-R269 HydrophobicContact CE1-CG 4.32Å; F254-W274 HydrophobicContact CD2-CZ3 4.13Å; F254-W274 HydrophobicContact CE2-CE3 4.2Å; F254-W274 AromaticContact CE2-CH2 3.72Å; F254-W274 HydrophobicContact CE2-CH2 3.72Å; F254-W274 AromaticContact CE2-CZ3 3.33Å; F254-W274 HydrophobicContact CE2-CZ3 3.33Å; F254-W274 HydrophobicContact CZ-CH2 4.42Å; F254-W274 HydrophobicContact CZ-CZ3 4.08Å; F254-Y307 HydrophobicContact CE1-CD2 4.32Å; F254-Y307 HydrophobicContact CE1-CE2 4.22Å; F254-Y307 AromaticContact CZ-CD2 4Å; F254-Y307 HydrophobicContact CZ-CD2 4Å; F254-Y307 HydrophobicContact CZ-CE2 4.36Å
255E92.6Very high91.4Very high56 Ų5643.3 Ų43.326%0.26224%0.236SC..EExtended strand (participates in β ladder)trans-58.2116.3155.5-67.4-174.4-142.900108.2Y267 K268 N370E255-Y267 WeakPolarHBondContact O-CB 3.46Å; E255-Y267 PolarHBondContact O-N 3.08Å; E255-K268 HydrophobicContact CB-CB 4.37Å; E255-K268 PolarHBondContact N-O 3.02Å; E255-N370 WeakPolarHBondContact OE2-CB 3.45Å; E255-N370 VanDerWaalsContact OE2-CG 3.27Å; E255-N370 PolarHBondContact OE2-ND2 2.98Å
256S93.6Very high91.8Very high22 Ų2237.7 Ų37.715%0.15421%0.209CC..EExtended strand (participates in β ladder)trans-148.1162.7-167.154.50000112.5F254 V265F254-S256 PolarHBondContact O-N 3.12Å; F254-S256 VanDerWaalsContact O-N 3.12Å; F254-S256 PolarHBondContact O-OG 3.42Å; F254-S256 VanDerWaalsContact O-OG 3.06Å; S256-V265 WeakPolarHBondContact CA-O 3.44Å; S256-V265 WeakPolarHBondContact CB-O 3.44Å
257Y90.9Very high92.1Very high31 Ų3133.4 Ų33.412%0.12218%0.183CC..EExtended strand (participates in β ladder)trans-146.6144.3177.2169.1-96.7000110.7L264 V265 K339 M341Y257-L264 CarbonylContact O-C 3.6Å; Y257-L264 WeakPolarHBondContact O-CA 3.49Å; Y257-V265 PolarHBondContact N-O 3.41Å; Y257-V265 PolarHBondContact O-N 3.49Å; Y257-K339 HydrophobicContact CD2-CD 3.83Å; Y257-K339 HydrophobicContact CE2-CD 3.95Å; Y257-M341 HydrophobicContact CD1-CE 3.37Å; Y257-M341 HydrophobicContact CD1-SD 3.34Å; Y257-M341 WeakPolarHBondContact CD1-SD 3.3Å; Y257-M341 HydrophobicContact CD2-SD 3.87Å; Y257-M341 HydrophobicContact CE1-CE 3.18Å; Y257-M341 HydrophobicContact CE1-SD 3.1Å; Y257-M341 WeakPolarHBondContact CE1-SD 3.1Å; Y257-M341 HydrophobicContact CE2-SD 3.68Å; Y257-M341 HydrophobicContact CG-CE 4.26Å; Y257-M341 HydrophobicContact CG-SD 3.69Å
258V91.5Very high92.2Very high42 Ų4234.7 Ų34.726%0.25518%0.183SC..EExtended strand (participates in β ladder)trans-110.9117173-174.70000108.1W223 T263 L264W223-V258 HydrophobicContact CG-CG2 4.5Å; V258-T263 WeakPolarHBondContact CA-O 2.99Å; V258-L264 HydrophobicContact CG2-CD1 4.03Å
259S87.5Confident92.1Very high20 Ų2036.9 Ų36.914%0.1419%0.189CC..  trans-71.5161.6176.961.30000112.3S219 N261 G262 T263S219-S259 WeakPolarHBondContact CB-O 3.49Å; S259-N261 PolarHBondContact O-N 3.45Å; S259-N261 PolarHBondContact OG-OD1 3.07Å; S259-G262 WeakPolarHBondContact O-CA 3.31Å; S259-G262 PolarHBondContact O-N 2.98Å; S259-T263 PolarHBondContact N-O 2.96Å; S259-T263 VanDerWaalsContact OG-CB 3.28Å; S259-T263 WeakPolarHBondContact OG-CB 3.33Å; S259-T263 PolarHBondContact OG-N 3.28Å; S259-T263 PolarHBondContact OG-O 2.79Å; S259-T263 VanDerWaalsContact OG-O 3.04Å
260P83.5Confident92Very high31 Ų3134 Ų3420%0.20118%0.178CC..THydrogen-bonded Turntrans-55.2-29.9-178.4-27.135.5000113.9F217 G262F217-P260 HydrophobicContact CB-CB 4.44Å; F217-P260 WeakPolarHBondContact O-CB 3.37Å; F217-P260 VanDerWaalsContact O-CG 3.31Å; F217-P260 WeakPolarHBondContact O-CG 3.36Å; P260-G262 PolarHBondContact O-N 3Å
261N84.8Confident91.6Very high80 Ų8038.7 Ų38.743%0.42822%0.218SC..THydrogen-bonded Turntrans-80.51.4176.475.710.4000113.7R178 S259 T263R178-N261 PolarHBondContact NH1-O 3.12Å; R178-N261 PolarHBondContact NH2-O 2.8Å; S259-N261 PolarHBondContact O-N 3.45Å; S259-N261 PolarHBondContact OG-OD1 3.07Å; N261-T263 VanDerWaalsContact OD1-CB 3.3Å; N261-T263 WeakPolarHBondContact OD1-CB 3.21Å; N261-T263 PolarHBondContact OD1-N 2.99Å; N261-T263 PolarHBondContact OD1-OG1 3.4Å
262G90.2Very high91.4Very high0 Ų037.1 Ų37.10%021%0.211CC..  trans87.7-0.1-179.300000115.6C200 W223 S259 P260 L264C200-G262 WeakPolarHBondContact CB-O 3.35Å; W223-G262 PolarHBondContact NE1-O 2.98Å; S259-G262 WeakPolarHBondContact O-CA 3.31Å; S259-G262 PolarHBondContact O-N 2.98Å; P260-G262 PolarHBondContact O-N 3Å; G262-L264 PolarHBondContact O-N 3.2Å
263T92.4Very high91.1Very high26 Ų2637.5 Ų37.516%0.1623%0.225CC..  trans-66.7124.6176.8-52.60000109.7L198 V258 S259 N261L198-T263 CarbonylContact O-C 3.51Å; L198-T263 WeakPolarHBondContact O-CA 3.45Å; L198-T263 WeakPolarHBondContact O-CG2 3.09Å; V258-T263 WeakPolarHBondContact CA-O 2.99Å; S259-T263 PolarHBondContact N-O 2.96Å; S259-T263 VanDerWaalsContact OG-CB 3.28Å; S259-T263 WeakPolarHBondContact OG-CB 3.33Å; S259-T263 PolarHBondContact OG-N 3.28Å; S259-T263 PolarHBondContact OG-O 2.79Å; S259-T263 VanDerWaalsContact OG-O 3.04Å; N261-T263 VanDerWaalsContact OD1-CB 3.3Å; N261-T263 WeakPolarHBondContact OD1-CB 3.21Å; N261-T263 PolarHBondContact OD1-N 2.99Å; N261-T263 PolarHBondContact OD1-OG1 3.4Å
264L95.9Very high90.7Very high1 Ų137.7 Ų37.71%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-86.5132.4173.117366.1000109.5S197 L198 W223 V250 Y257 V258 G262 L266 L279S197-L264 CarbonylContact C-O 3.55Å; S197-L264 WeakPolarHBondContact CA-O 3.26Å; L198-L264 HydrophobicContact CB-CB 4.5Å; L198-L264 HydrophobicContact CD1-CD2 4.47Å; L198-L264 PolarHBondContact N-O 3.39Å; L198-L264 PolarHBondContact O-N 3.03Å; W223-L264 HydrophobicContact CB-CD2 4Å; W223-L264 HydrophobicContact CD2-CB 3.73Å; W223-L264 HydrophobicContact CD2-CD2 3.59Å; W223-L264 HydrophobicContact CD2-CG 4.25Å; W223-L264 VanDerWaalsContact CE2-CB 3.42Å; W223-L264 HydrophobicContact CE3-CB 4.35Å; W223-L264 HydrophobicContact CE3-CD2 3.63Å; W223-L264 HydrophobicContact CG-CB 3.96Å; W223-L264 HydrophobicContact CG-CD1 4.41Å; W223-L264 HydrophobicContact CG-CD2 3.79Å; W223-L264 HydrophobicContact CG-CG 4.29Å; W223-L264 HydrophobicContact CH2-CB 4.31Å; W223-L264 HydrophobicContact CZ2-CB 3.74Å; W223-L264 HydrophobicContact CZ3-CD2 4.18Å; V250-L264 HydrophobicContact CG1-CD1 4.24Å; V250-L264 HydrophobicContact CG1-CD2 4.26Å; V250-L264 HydrophobicContact CG2-CD2 4.33Å; Y257-L264 CarbonylContact O-C 3.6Å; Y257-L264 WeakPolarHBondContact O-CA 3.49Å; V258-L264 HydrophobicContact CG2-CD1 4.03Å; G262-L264 PolarHBondContact O-N 3.2Å; L264-L266 HydrophobicContact CD1-CD2 4.12Å; L264-L266 HydrophobicContact CD2-CD2 3.88Å; L264-L266 HydrophobicContact CD2-CG 4.42Å; L264-L266 HydrophobicContact CG-CD2 3.95Å; L264-L266 HydrophobicContact CG-CG 4.39Å; L264-L279 HydrophobicContact CD2-CD1 4.19Å; L264-L279 HydrophobicContact CD2-CD2 3.87Å; L264-L279 HydrophobicContact CD2-CG 4.47Å
265V95.9Very high90.3Very high7 Ų741.5 Ų41.54%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-114.9121.6170.6-172.30000108.3P195 L196 S256 Y257 Y267 K343P195-V265 HydrophobicContact CB-CG1 4.09Å; L196-V265 CarbonylContact O-C 3.47Å; L196-V265 WeakPolarHBondContact O-CA 3.42Å; S256-V265 WeakPolarHBondContact CA-O 3.44Å; S256-V265 WeakPolarHBondContact CB-O 3.44Å; Y257-V265 PolarHBondContact N-O 3.41Å; Y257-V265 PolarHBondContact O-N 3.49Å; V265-Y267 HydrophobicContact CB-CE2 4.01Å; V265-Y267 HydrophobicContact CG1-CD1 4.22Å; V265-Y267 HydrophobicContact CG1-CD2 4.24Å; V265-Y267 HydrophobicContact CG1-CE1 3.74Å; V265-Y267 HydrophobicContact CG1-CE2 3.79Å; V265-Y267 HydrophobicContact CG1-CG 4.44Å; V265-K343 HydrophobicContact CG1-CD 4.25Å; V265-K343 HydrophobicContact CG1-CG 4.45Å
266L96Very high90.2Very high2 Ų242.2 Ų42.21%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-95.9118.6172.2-56.6-178.8000108.1L194 P195 L196 L198 V250 F254 L264L194-L266 HydrophobicContact CD2-CB 4.03Å; P195-L266 CarbonylContact C-O 3.44Å; P195-L266 WeakPolarHBondContact CA-O 3.17Å; L196-L266 HydrophobicContact CB-CB 4.5Å; L196-L266 PolarHBondContact N-O 2.91Å; L196-L266 PolarHBondContact O-N 2.99Å; L198-L266 HydrophobicContact CD1-CD1 4.27Å; V250-L266 HydrophobicContact CG1-CD2 3.49Å; V250-L266 VanDerWaalsContact CG1-CD2 3.49Å; F254-L266 HydrophobicContact CB-CD2 3.84Å; F254-L266 HydrophobicContact CD1-CB 4.21Å; F254-L266 HydrophobicContact CD2-CD1 4.33Å; F254-L266 HydrophobicContact CD2-CD2 4.24Å; F254-L266 HydrophobicContact CE2-CD1 4.37Å; F254-L266 HydrophobicContact CG-CB 4.36Å; F254-L266 HydrophobicContact CG-CD1 4.46Å; F254-L266 HydrophobicContact CG-CD2 4.05Å; L264-L266 HydrophobicContact CD1-CD2 4.12Å; L264-L266 HydrophobicContact CD2-CD2 3.88Å; L264-L266 HydrophobicContact CD2-CG 4.42Å; L264-L266 HydrophobicContact CG-CD2 3.95Å; L264-L266 HydrophobicContact CG-CG 4.39Å
267Y93.6Very high90.1Very high3 Ų341.2 Ų41.21%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-98.3-51.4-176.1-71.1-77.1000113.2L194 P195 E255 V265 T342 K343 Y372L194-Y267 WeakPolarHBondContact CB-O 3.5Å; P195-Y267 HydrophobicContact CB-CD1 3.68Å; P195-Y267 HydrophobicContact CB-CE1 4.05Å; P195-Y267 HydrophobicContact CB-CG 4.48Å; P195-Y267 HydrophobicContact CG-CD1 4.45Å; E255-Y267 WeakPolarHBondContact O-CB 3.46Å; E255-Y267 PolarHBondContact O-N 3.08Å; V265-Y267 HydrophobicContact CB-CE2 4.01Å; V265-Y267 HydrophobicContact CG1-CD1 4.22Å; V265-Y267 HydrophobicContact CG1-CD2 4.24Å; V265-Y267 HydrophobicContact CG1-CE1 3.74Å; V265-Y267 HydrophobicContact CG1-CE2 3.79Å; V265-Y267 HydrophobicContact CG1-CG 4.44Å; Y267-T342 WeakPolarHBondContact CE1-O 3.36Å; Y267-K343 HydrophobicContact CE1-CG 4.06Å; Y267-Y372 AromaticContact CD1-CD1 3.57Å; Y267-Y372 HydrophobicContact CD1-CD1 3.57Å; Y267-Y372 HydrophobicContact CD1-CD2 4.1Å; Y267-Y372 HydrophobicContact CD1-CE1 4.29Å; Y267-Y372 AromaticContact CD1-CG 3.45Å; Y267-Y372 HydrophobicContact CD1-CG 3.45Å; Y267-Y372 VanDerWaalsContact CD1-CG 3.45Å; Y267-Y372 HydrophobicContact CE1-CD1 4.19Å; Y267-Y372 HydrophobicContact CE1-CG 4.14Å; Y267-Y372 HydrophobicContact CG-CD1 4.36Å; Y267-Y372 HydrophobicContact CG-CD2 4.07Å; Y267-Y372 AromaticContact CG-CG 3.84Å; Y267-Y372 HydrophobicContact CG-CG 3.84Å
268K90.7Very high90.2Very high73 Ų7339.7 Ų39.732%0.31723%0.234SC..EExtended strand (participates in β ladder)trans-152142.8-172.3-175.4179.4178.5178.90110.4F254 E255 Y372F254-K268 CarbonylContact C-O 3.52Å; F254-K268 VanDerWaalsContact CA-O 3.27Å; F254-K268 WeakPolarHBondContact CA-O 3.25Å; E255-K268 HydrophobicContact CB-CB 4.37Å; E255-K268 PolarHBondContact N-O 3.02Å; K268-Y372 HydrophobicContact CB-CE2 4.18Å
269R91.5Very high90.5Very high73 Ų7337.8 Ų37.828%0.27522%0.223SC..EExtended strand (participates in β ladder)trans-71.6138.3173.6-156.7-172.176.1170.8-1.3110.4Y253 F254Y253-R269 CarbonylContact O-C 3.5Å; Y253-R269 WeakPolarHBondContact O-CA 3.18Å; Y253-R269 WeakPolarHBondContact O-CG 3.45Å; F254-R269 HydrophobicContact CD1-CB 4.38Å; F254-R269 HydrophobicContact CE1-CB 4.17Å; F254-R269 HydrophobicContact CE1-CG 4.32Å
270T91.2Very high90.8Very high34 Ų3436.9 Ų36.921%0.20922%0.216CC..  trans-73.3176169.6670000110.9N252 Y253 S272N252-T270 PolarHBondContact O-OG1 3Å; Y253-T270 WeakPolarHBondContact CA-OG1 3.31Å; Y253-T270 PolarHBondContact O-N 2.85Å; Y253-T270 PolarHBondContact O-OG1 3.3Å; Y253-T270 VanDerWaalsContact O-OG1 3.09Å; T270-S272 PolarHBondContact O-N 2.65Å; T270-S272 WeakPolarHBondContact OG1-CB 3.38Å; T270-S272 PolarHBondContact OG1-N 3.19Å; T270-S272 PolarHBondContact OG1-OG 2.77Å
271A88Confident91.5Very high107 Ų10735.4 Ų35.488%0.88421%0.207SC*.SBendtrans-72.3-9.6175.200000113.8A273A271-A273 PolarHBondContact O-N 2.96Å
272S89.4Confident91.9Very high53 Ų5332.8 Ų32.837%0.37119%0.191SC..SBendtrans-59.2135178.5-58.20000111N252 T270 W274N252-S272 WeakPolarHBondContact O-CB 3.35Å; N252-S272 PolarHBondContact O-OG 3.13Å; T270-S272 PolarHBondContact O-N 2.65Å; T270-S272 WeakPolarHBondContact OG1-CB 3.38Å; T270-S272 PolarHBondContact OG1-N 3.19Å; T270-S272 PolarHBondContact OG1-OG 2.77Å; S272-W274 PolarHBondContact O-N 3.26Å
273A87Confident92Very high87 Ų8732.9 Ų32.972%0.71919%0.192SC*.PPolyproline II helixtrans-60125.9173.600000109.6Y253 A271 K275Y253-A273 WeakPolarHBondContact CE1-O 3.46Å; A271-A273 PolarHBondContact O-N 2.96Å; A273-K275 PolarHBondContact O-N 3Å
274W84Confident91.8Very high43 Ų4337.9 Ų37.916%0.16321%0.213CC..PPolyproline II helixtrans-66.8133.4-178.3-178.6-104.5000110.4F225 Y253 F254 S272 D276 M277 L305F225-W274 AromaticContact CE1-CH2 3.82Å; F225-W274 HydrophobicContact CE1-CH2 3.82Å; F225-W274 HydrophobicContact CE1-CZ3 4.43Å; F225-W274 AromaticContact CZ-CH2 3.92Å; F225-W274 HydrophobicContact CZ-CH2 3.92Å; F225-W274 HydrophobicContact CZ-CZ3 4.12Å; Y253-W274 AromaticContact CD1-CE3 3.9Å; Y253-W274 HydrophobicContact CD1-CE3 3.9Å; Y253-W274 HydrophobicContact CD1-CZ3 4.18Å; Y253-W274 HydrophobicContact CG-CE3 4.33Å; Y253-W274 HydrophobicContact CG-CZ3 4.16Å; F254-W274 HydrophobicContact CD2-CZ3 4.13Å; F254-W274 HydrophobicContact CE2-CE3 4.2Å; F254-W274 AromaticContact CE2-CH2 3.72Å; F254-W274 HydrophobicContact CE2-CH2 3.72Å; F254-W274 AromaticContact CE2-CZ3 3.33Å; F254-W274 HydrophobicContact CE2-CZ3 3.33Å; F254-W274 HydrophobicContact CZ-CH2 4.42Å; F254-W274 HydrophobicContact CZ-CZ3 4.08Å; S272-W274 PolarHBondContact O-N 3.26Å; W274-D276 PolarHBondContact NE1-OD1 3.03Å; W274-M277 HydrophobicContact CZ3-CE 4.46Å; W274-L305 HydrophobicContact CZ2-CB 4.43Å; W274-L305 WeakPolarHBondContact CZ2-O 3.47Å; W274-L305 PolarHBondContact NE1-O 2.84Å
275K86.4Confident91.4Very high80 Ų8040.8 Ų40.835%0.34823%0.228SC..  trans-113.6130.7167.1-178179178.3176.70106.7D227 D229 A273 M277D227-K275 HydrophobicContact CB-CD 4.41Å; D227-K275 IonicContact OD2-NZ 3.12Å; D227-K275 PolarHBondContact OD2-NZ 2.82Å; D229-K275 IonicContact OD2-NZ 3.86Å; A273-K275 PolarHBondContact O-N 3Å; K275-M277 HydrophobicContact CB-CE 4.3Å; K275-M277 HydrophobicContact CB-CG 4.37Å; K275-M277 HydrophobicContact CB-SD 4.42Å; K275-M277 HydrophobicContact CD-CG 4.49Å; K275-M277 HydrophobicContact CG-CG 4.19Å; K275-M277 VanDerWaalsContact O-CE 3.28Å; K275-M277 WeakPolarHBondContact O-CE 3.45Å; K275-M277 WeakPolarHBondContact O-CG 3.31Å; K275-M277 PolarHBondContact O-N 3.25Å
276D89.7Confident91.1Very high72 Ų7242.8 Ų42.839%0.38524%0.238SC..  trans-62.7126174.9-63.6-21.2000109.2W274 L304 L305W274-D276 PolarHBondContact NE1-OD1 3.03Å; D276-L304 HydrophobicContact CB-CB 3.77Å; D276-L304 HydrophobicContact CB-CD1 4.4Å; D276-L304 WeakPolarHBondContact O-CD1 3.24Å; D276-L305 WeakPolarHBondContact CA-O 3.22Å
277M92.6Very high90.5Very high0 Ų046.9 Ų46.90%027%0.267CS..BIsolated β-bridgetrans-147.2162.6-172.4-71179.9-67.600111F225 C226 D227 I248 Y253 W274 K275 L305F225-M277 HydrophobicContact CB-CB 4.22Å; F225-M277 HydrophobicContact CB-CE 3.88Å; F225-M277 HydrophobicContact CB-SD 3.71Å; F225-M277 HydrophobicContact CD1-CB 4.16Å; F225-M277 HydrophobicContact CD1-CE 4.26Å; F225-M277 HydrophobicContact CD2-CE 4.18Å; F225-M277 HydrophobicContact CG-CE 3.86Å; F225-M277 HydrophobicContact CG-SD 4.35Å; C226-M277 WeakPolarHBondContact O-CA 3.25Å; C226-M277 WeakPolarHBondContact O-CB 3.26Å; D227-M277 HydrophobicContact CB-CG 4.38Å; I248-M277 HydrophobicContact CD1-SD 3.84Å; I248-M277 HydrophobicContact CG2-SD 4.4Å; Y253-M277 HydrophobicContact CD1-CE 4.19Å; Y253-M277 HydrophobicContact CD2-CE 3.86Å; Y253-M277 HydrophobicContact CE1-CE 3.9Å; Y253-M277 HydrophobicContact CE2-CE 3.58Å; Y253-M277 HydrophobicContact CE2-SD 4.44Å; Y253-M277 HydrophobicContact CG-CE 4.16Å; W274-M277 HydrophobicContact CZ3-CE 4.46Å; K275-M277 HydrophobicContact CB-CE 4.3Å; K275-M277 HydrophobicContact CB-CG 4.37Å; K275-M277 HydrophobicContact CB-SD 4.42Å; K275-M277 HydrophobicContact CD-CG 4.49Å; K275-M277 HydrophobicContact CG-CG 4.19Å; K275-M277 VanDerWaalsContact O-CE 3.28Å; K275-M277 WeakPolarHBondContact O-CE 3.45Å; K275-M277 WeakPolarHBondContact O-CG 3.31Å; K275-M277 PolarHBondContact O-N 3.25Å; M277-L305 VanDerWaalsContact O-CB 3.25Å; M277-L305 WeakPolarHBondContact O-CB 3.37Å; M277-L305 PolarHBondContact O-N 2.83Å
278G93.4Very high90.2Very high0 Ų051.5 Ų51.50%030%0.3CS..EExtended strand (participates in β ladder)trans-85.9158.8163.300000110.9F225 C226F225-G278 CarbonylContact C-O 3.57Å; F225-G278 VanDerWaalsContact CA-O 3.26Å; F225-G278 WeakPolarHBondContact CA-O 3.41Å; F225-G278 WeakPolarHBondContact CD1-O 3.19Å; C226-G278 PolarHBondContact N-O 3.22Å; C226-G278 PolarHBondContact O-N 3.18Å; C226-G278 VanDerWaalsContact SG-C 3.56Å; C226-G278 VanDerWaalsContact SG-CA 3.56Å; C226-G278 PolarHBondContact SG-O 3.2Å; C226-G278 VanDerWaalsContact SG-O 3.42Å
279L96.1Very high90.1Very high2 Ų248.7 Ų48.71%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-123.8129.3176.1177.664.1000109.5L198 W223 F225 V250 L264 T293 Y294 L305L198-L279 HydrophobicContact CD1-CD2 3.39Å; W223-L279 HydrophobicContact CE3-CD1 3.94Å; W223-L279 HydrophobicContact CE3-CD2 4.22Å; W223-L279 HydrophobicContact CE3-CG 3.79Å; W223-L279 HydrophobicContact CZ3-CD2 4.17Å; W223-L279 HydrophobicContact CZ3-CG 3.96Å; F225-L279 HydrophobicContact CD1-CB 4.07Å; F225-L279 HydrophobicContact CD1-CD1 3.9Å; F225-L279 HydrophobicContact CE1-CB 3.99Å; F225-L279 HydrophobicContact CE1-CD1 3.79Å; F225-L279 HydrophobicContact CE1-CD2 4.35Å; F225-L279 HydrophobicContact CE1-CG 4.26Å; F225-L279 HydrophobicContact CG-CD1 4.4Å; F225-L279 HydrophobicContact CZ-CD1 4.21Å; V250-L279 HydrophobicContact CG2-CD1 3.68Å; L264-L279 HydrophobicContact CD2-CD1 4.19Å; L264-L279 HydrophobicContact CD2-CD2 3.87Å; L264-L279 HydrophobicContact CD2-CG 4.47Å; L279-T293 CarbonylContact O-C 3.53Å; L279-T293 WeakPolarHBondContact O-CA 3.35Å; L279-Y294 PolarHBondContact N-O 3.34Å; L279-Y294 PolarHBondContact O-N 3.34Å; L279-L305 HydrophobicContact CB-CD1 3.79Å
280V95.7Very high90.2Very high0 Ų046.6 Ų46.60%029%0.286CS..EExtended strand (participates in β ladder)trans-131.8140.6-174.166.20000112W223 S224 M240 V243 V290 S292W223-V280 WeakPolarHBondContact CA-O 3.49Å; S224-V280 PolarHBondContact N-O 3.25Å; S224-V280 WeakPolarHBondContact O-CG1 3.49Å; S224-V280 PolarHBondContact O-N 3.44Å; M240-V280 HydrophobicContact SD-CG2 4.46Å; V243-V280 HydrophobicContact CG2-CG1 3.62Å; V280-V290 HydrophobicContact CG2-CG1 3.31Å; V280-S292 WeakPolarHBondContact CA-O 3.36Å; V280-S292 WeakPolarHBondContact CG2-O 3.25Å
281C96.5Very high90.3Very high0 Ų045 Ų450%028%0.276CS..EExtended strand (participates in β ladder)trans-102.9131.3169.3-169.20000111.3C200 M222 W223 Y291 S292C200-C281 HydrophobicContact CB-CB 3.75Å; C200-C281 WeakPolarHBondContact CB-SG 3.37Å; C200-C281 WeakPolarHBondContact SG-CB 3.42Å; C200-C281 CovalentContact SG-SG 2.01Å; C200-C281 PolarHBondContact SG-SG 3.48Å; M222-C281 WeakPolarHBondContact O-CA 3.37Å; W223-C281 HydrophobicContact CD2-CB 3.73Å; W223-C281 HydrophobicContact CE3-CB 3.86Å; W223-C281 HydrophobicContact CG-CB 4.48Å; W223-C281 HydrophobicContact CH2-CB 3.89Å; W223-C281 HydrophobicContact CZ2-CB 3.7Å; W223-C281 HydrophobicContact CZ3-CB 3.94Å; C281-Y291 PolarHBondContact O-N 3.25Å; C281-S292 PolarHBondContact N-O 2.91Å
282W94.7Very high90.7Very high26 Ų2640 Ų4010%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-147.7173.1-175.562.6-79.7000110.9F221 M222 S224 M240 V243 H284F221-W282 WeakPolarHBondContact CA-O 3.48Å; M222-W282 HydrophobicContact CB-CD2 4.26Å; M222-W282 HydrophobicContact CB-CZ2 4.02Å; M222-W282 HydrophobicContact CE-CH2 4.14Å; M222-W282 HydrophobicContact CE-CZ2 3.98Å; M222-W282 PolarHBondContact N-O 3.08Å; M222-W282 PolarHBondContact O-N 2.81Å; M222-W282 HydrophobicContact SD-CH2 3.86Å; M222-W282 HydrophobicContact SD-CZ2 4.03Å; M222-W282 HydrophobicContact SD-CZ3 4.34Å; S224-W282 PolarHBondContact OG-NE1 3.25Å; M240-W282 HydrophobicContact CE-CB 4.16Å; M240-W282 HydrophobicContact CE-CD2 3.95Å; M240-W282 HydrophobicContact CE-CE3 4.21Å; M240-W282 HydrophobicContact CE-CG 3.93Å; M240-W282 HydrophobicContact SD-CB 3.71Å; M240-W282 HydrophobicContact SD-CG 3.99Å; V243-W282 HydrophobicContact CG1-CZ2 4.21Å; W282-H284 AromaticContact CH2-CD2 3.92Å; W282-H284 AromaticContact CH2-CE1 3.29Å; W282-H284 WeakPolarHBondContact CH2-CE1 3.29Å; W282-H284 AromaticContact CH2-ND1 3.94Å; W282-H284 AromaticContact CH2-NE2 3.24Å; W282-H284 WeakPolarHBondContact CH2-NE2 3.23Å; W282-H284 AromaticContact CZ3-CD2 3.77Å; W282-H284 AromaticContact CZ3-CE1 3.35Å; W282-H284 WeakPolarHBondContact CZ3-CE1 3.39Å; W282-H284 AromaticContact CZ3-CG 3.75Å; W282-H284 AromaticContact CZ3-ND1 3.49Å; W282-H284 WeakPolarHBondContact CZ3-ND1 3.49Å; W282-H284 AromaticContact CZ3-NE2 3.52Å
283S92.4Very high91Very high2 Ų237.6 Ų37.61%0.01422%0.217CC..BIsolated β-bridgetrans-142.3145.2174.5-176.10000110.8P220 L285 D286P220-S283 VanDerWaalsContact O-CB 3.31Å; P220-S283 WeakPolarHBondContact O-CB 3.4Å; P220-S283 PolarHBondContact O-OG 2.93Å; S283-L285 PolarHBondContact O-N 3.14Å; S283-L285 PolarHBondContact OG-N 3.38Å; S283-D286 CarbonylContact O-C 3.54Å
284H87.6Confident91.5Very high131 Ų13133.6 Ų33.661%0.60618%0.184SC*.THydrogen-bonded Turntrans-67.8-23.8171.3-73-73.9000112.9M222 W282 D286M222-H284 PolarHBondContact SD-CD2 3.12Å; M222-H284 PolarHBondContact SD-NE2 3.31Å; W282-H284 AromaticContact CH2-CD2 3.92Å; W282-H284 AromaticContact CH2-CE1 3.29Å; W282-H284 WeakPolarHBondContact CH2-CE1 3.29Å; W282-H284 AromaticContact CH2-ND1 3.94Å; W282-H284 AromaticContact CH2-NE2 3.24Å; W282-H284 WeakPolarHBondContact CH2-NE2 3.23Å; W282-H284 AromaticContact CZ3-CD2 3.77Å; W282-H284 AromaticContact CZ3-CE1 3.35Å; W282-H284 WeakPolarHBondContact CZ3-CE1 3.39Å; W282-H284 AromaticContact CZ3-CG 3.75Å; W282-H284 AromaticContact CZ3-ND1 3.49Å; W282-H284 WeakPolarHBondContact CZ3-ND1 3.49Å; W282-H284 AromaticContact CZ3-NE2 3.52Å; H284-D286 VanDerWaalsContact C-N 3.33Å
285L86.8Confident92Very high61 Ų6131.6 Ų31.632%0.31918%0.176SC..THydrogen-bonded Turntrans-75.5-23-177.6-61-178.1000113.4Y169 H172 V176 P220 S283Y169-L285 HydrophobicContact CD2-CD2 4.27Å; Y169-L285 HydrophobicContact CE2-CD2 3.55Å; H172-L285 HydrophobicContact CB-CD1 3.54Å; V176-L285 HydrophobicContact CG1-CB 4.22Å; V176-L285 HydrophobicContact CG1-CD1 4.29Å; V176-L285 HydrophobicContact CG2-CB 4.13Å; P220-L285 HydrophobicContact CB-CD1 3.91Å; S283-L285 PolarHBondContact O-N 3.14Å; S283-L285 PolarHBondContact OG-N 3.38Å
286D88.8Confident92.3Very high49 Ų4928 Ų2826%0.26216%0.161SC..BIsolated β-bridgetrans-136.788171.9-177.70000108.4S283 H284 S288 A289 Y291S283-D286 CarbonylContact O-C 3.54Å; H284-D286 VanDerWaalsContact C-N 3.33Å; D286-S288 PolarHBondContact O-N 3.38Å; D286-S288 WeakPolarHBondContact OD1-CB 3.49Å; D286-S288 PolarHBondContact OD1-N 2.94Å; D286-S288 PolarHBondContact OD1-OG 3.47Å; D286-A289 HydrophobicContact CB-CB 4.43Å; D286-A289 PolarHBondContact O-N 3.42Å; D286-A289 PolarHBondContact OD1-N 3.33Å; D286-A289 VanDerWaalsContact OD2-CB 3.31Å; D286-A289 WeakPolarHBondContact OD2-CB 3.49Å; D286-Y291 WeakPolarHBondContact CB-OH 3.43Å; D286-Y291 PolarHBondContact OD2-OH 2.83Å
287S85Confident92.4Very high88 Ų8826.6 Ų26.662%0.61517%0.165SC*.THydrogen-bonded Turntrans-67-13.8-179.764.30000112.8R244R244-S287 PolarHBondContact NH2-O 2.88Å
288S85.9Confident92.3Very high100 Ų10028.5 Ų28.570%0.69918%0.178SC*.THydrogen-bonded Turntrans-83.4-25.3-178.477.30000113.1D286D286-S288 PolarHBondContact O-N 3.38Å; D286-S288 WeakPolarHBondContact OD1-CB 3.49Å; D286-S288 PolarHBondContact OD1-N 2.94Å; D286-S288 PolarHBondContact OD1-OG 3.47Å
289A89.9Confident92Very high14 Ų1434 Ų3412%0.11621%0.207CC..  trans-93136.9-173.100000113.4V180 D286 Y291V180-A289 HydrophobicContact CG1-CB 4.39Å; D286-A289 HydrophobicContact CB-CB 4.43Å; D286-A289 PolarHBondContact O-N 3.42Å; D286-A289 PolarHBondContact OD1-N 3.33Å; D286-A289 VanDerWaalsContact OD2-CB 3.31Å; D286-A289 WeakPolarHBondContact OD2-CB 3.49Å; A289-Y291 HydrophobicContact CB-CD2 4.48Å; A289-Y291 HydrophobicContact CB-CE1 4.14Å; A289-Y291 HydrophobicContact CB-CE2 3.94Å
290V92.9Very high91.7Very high30 Ų3041 Ų4118%0.18224%0.24CC..  trans-108.998.6164.2-177.90000107.2V180 M240 V280 S292 T293V180-V290 WeakPolarHBondContact CG1-O 3.4Å; M240-V290 HydrophobicContact CB-CG2 3.67Å; M240-V290 HydrophobicContact CG-CG2 3.73Å; M240-V290 HydrophobicContact SD-CG2 4.3Å; V280-V290 HydrophobicContact CG2-CG1 3.31Å; V290-S292 PolarHBondContact O-N 2.97Å; V290-T293 WeakPolarHBondContact CG1-OG1 3.47Å
291Y94.3Very high91.4Very high1 Ų150.5 Ų50.50%0.00428%0.276CS..  trans-68.6-37.6-168-71.9-76.1000113V176 R178 K181 C200 G201 F221 C281 D286 A289V176-Y291 VanDerWaalsContact CB-OH 3.29Å; V176-Y291 WeakPolarHBondContact CB-OH 3.29Å; V176-Y291 VanDerWaalsContact O-CE1 3.26Å; V176-Y291 WeakPolarHBondContact O-CE1 3.17Å; V176-Y291 PolarHBondContact O-OH 2.95Å; R178-Y291 HydrophobicContact CG-CD1 4Å; R178-Y291 HydrophobicContact CG-CE1 3.98Å; K181-Y291 WeakPolarHBondContact CB-O 3.34Å; K181-Y291 PolarHBondContact N-O 3.46Å; C200-Y291 WeakPolarHBondContact SG-CB 3.48Å; G201-Y291 VanDerWaalsContact CA-O 3.31Å; G201-Y291 WeakPolarHBondContact CA-O 3.33Å; G201-Y291 PolarHBondContact N-O 2.92Å; F221-Y291 AromaticContact CD1-CD2 3.87Å; F221-Y291 HydrophobicContact CD1-CD2 3.87Å; F221-Y291 HydrophobicContact CD1-CE2 4.12Å; F221-Y291 HydrophobicContact CD1-CG 4.28Å; F221-Y291 HydrophobicContact CE1-CD1 4.16Å; F221-Y291 AromaticContact CE1-CD2 3.81Å; F221-Y291 HydrophobicContact CE1-CD2 3.81Å; F221-Y291 HydrophobicContact CE1-CE1 4.11Å; F221-Y291 AromaticContact CE1-CE2 3.76Å; F221-Y291 HydrophobicContact CE1-CE2 3.76Å; F221-Y291 HydrophobicContact CE1-CG 4.03Å; F221-Y291 AromaticContact CE1-CZ 3.93Å; C281-Y291 PolarHBondContact O-N 3.25Å; D286-Y291 WeakPolarHBondContact CB-OH 3.43Å; D286-Y291 PolarHBondContact OD2-OH 2.83Å; A289-Y291 HydrophobicContact CB-CD2 4.48Å; A289-Y291 HydrophobicContact CB-CE1 4.14Å; A289-Y291 HydrophobicContact CB-CE2 3.94Å
292S96.3Very high91Very high1 Ų152.6 Ų52.61%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-155.4147174.9-630000110.6K181 E199 G201 V280 C281 V290K181-S292 WeakPolarHBondContact CB-OG 3.43Å; E199-S292 WeakPolarHBondContact O-CB 3.28Å; E199-S292 PolarHBondContact O-OG 2.86Å; G201-S292 PolarHBondContact N-OG 3.26Å; V280-S292 WeakPolarHBondContact CA-O 3.36Å; V280-S292 WeakPolarHBondContact CG2-O 3.25Å; C281-S292 PolarHBondContact N-O 2.91Å; V290-S292 PolarHBondContact O-N 2.97Å
293T95.6Very high90.9Very high3 Ų357.6 Ų57.62%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-134.3135.4174.7-47.50000108.9T183 E184 S236 L279 V290 F295T183-T293 WeakPolarHBondContact CA-O 3.37Å; E184-T293 PolarHBondContact N-O 2.78Å; S236-T293 VanDerWaalsContact CB-OG1 3.23Å; S236-T293 WeakPolarHBondContact CB-OG1 3.34Å; S236-T293 WeakPolarHBondContact OG-CB 3.39Å; S236-T293 PolarHBondContact OG-OG1 3.01Å; L279-T293 CarbonylContact O-C 3.53Å; L279-T293 WeakPolarHBondContact O-CA 3.35Å; V290-T293 WeakPolarHBondContact CG1-OG1 3.47Å; T293-F295 HydrophobicContact CG2-CD2 3.83Å; T293-F295 HydrophobicContact CG2-CE1 4.23Å; T293-F295 HydrophobicContact CG2-CE2 3.29Å; T293-F295 HydrophobicContact CG2-CG 4.49Å; T293-F295 HydrophobicContact CG2-CZ 3.52Å
294Y96.6Very high90.9Very high3 Ų358.7 Ų58.71%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-121.8125.5178.8-63-99000109.1E184 L186 L198 E199 W223 L279 L305E184-Y294 HydrophobicContact CB-CD1 3.78Å; E184-Y294 HydrophobicContact CB-CE1 3.84Å; E184-Y294 HydrophobicContact CG-CE1 4.33Å; E184-Y294 WeakPolarHBondContact O-CA 3.21Å; E184-Y294 VanDerWaalsContact OE2-CE1 3.22Å; E184-Y294 WeakPolarHBondContact OE2-CE1 3.46Å; L186-Y294 HydrophobicContact CD1-CD1 3.95Å; L186-Y294 HydrophobicContact CD1-CG 4.49Å; L186-Y294 HydrophobicContact CD2-CD1 4.28Å; L186-Y294 HydrophobicContact CG-CD1 4.14Å; L198-Y294 HydrophobicContact CB-CE1 4.29Å; L198-Y294 HydrophobicContact CB-CE2 4.16Å; L198-Y294 HydrophobicContact CD1-CG 4.46Å; L198-Y294 HydrophobicContact CD2-CD1 3.88Å; L198-Y294 HydrophobicContact CD2-CE1 3.65Å; L198-Y294 HydrophobicContact CG-CE1 4.44Å; E199-Y294 PolarHBondContact N-OH 2.78Å; E199-Y294 PolarHBondContact O-OH 3.32Å; W223-Y294 HydrophobicContact CH2-CD2 4.06Å; W223-Y294 AromaticContact CH2-CE2 3.48Å; W223-Y294 HydrophobicContact CH2-CE2 3.48Å; W223-Y294 VanDerWaalsContact CH2-CE2 3.48Å; W223-Y294 AromaticContact CZ3-CD2 3.77Å; W223-Y294 HydrophobicContact CZ3-CD2 3.77Å; W223-Y294 AromaticContact CZ3-CE2 3.7Å; W223-Y294 HydrophobicContact CZ3-CE2 3.7Å; L279-Y294 PolarHBondContact N-O 3.34Å; L279-Y294 PolarHBondContact O-N 3.34Å; Y294-L305 WeakPolarHBondContact O-CD1 3.18Å
295F95.5Very high91.2Very high0 Ų052.6 Ų52.60%029%0.289CS..EExtended strand (participates in β ladder)trans-128.3170.2178.1-72.4-55.2000110.3T183 E184 Y185 L186 I234 C239 T293 K303 L304 L305T183-F295 HydrophobicContact CG2-CD2 3.62Å; T183-F295 HydrophobicContact CG2-CE2 4.22Å; E184-F295 PolarHBondContact O-N 3.01Å; Y185-F295 CarbonylContact C-O 3.59Å; Y185-F295 VanDerWaalsContact CA-O 3.27Å; Y185-F295 WeakPolarHBondContact CA-O 3.34Å; Y185-F295 HydrophobicContact CD1-CB 4.02Å; Y185-F295 HydrophobicContact CE1-CB 4.02Å; L186-F295 PolarHBondContact N-O 3.22Å; I234-F295 HydrophobicContact CG2-CB 4.19Å; I234-F295 HydrophobicContact CG2-CD1 3.42Å; I234-F295 VanDerWaalsContact CG2-CD1 3.42Å; I234-F295 HydrophobicContact CG2-CD2 3.81Å; I234-F295 HydrophobicContact CG2-CE1 3.58Å; I234-F295 HydrophobicContact CG2-CE2 3.95Å; I234-F295 HydrophobicContact CG2-CG 3.55Å; I234-F295 HydrophobicContact CG2-CZ 3.85Å; C239-F295 HydrophobicContact CB-CZ 4.07Å; T293-F295 HydrophobicContact CG2-CD2 3.83Å; T293-F295 HydrophobicContact CG2-CE1 4.23Å; T293-F295 HydrophobicContact CG2-CE2 3.29Å; T293-F295 HydrophobicContact CG2-CG 4.49Å; T293-F295 HydrophobicContact CG2-CZ 3.52Å; F295-K303 WeakPolarHBondContact CB-O 3.23Å; F295-L304 HydrophobicContact CD1-CD2 4.47Å; F295-L304 HydrophobicContact CE1-CD2 4.43Å; F295-L305 VanDerWaalsContact O-CD2 3.32Å; F295-L305 WeakPolarHBondContact O-CD2 3.48Å
296G92.6Very high91.5Very high4 Ų452 Ų524%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-91.8172.2168.800000112.1Y185 L186 K303Y185-G296 WeakPolarHBondContact CD1-O 3.43Å; L186-G296 WeakPolarHBondContact O-CA 3.46Å; G296-K303 CarbonylContact C-O 3.03Å; G296-K303 WeakPolarHBondContact CA-O 3.4Å; G296-K303 PolarHBondContact N-O 3.09Å; G296-K303 CarbonylContact O-C 3.49Å; G296-K303 PolarHBondContact O-N 2.73Å
297G90.6Very high91.6Very high44 Ų4451 Ų5145%0.45428%0.281SS..EExtended strand (participates in β ladder)trans83.8-133.9174.500000112.9Y185Y185-G297 WeakPolarHBondContact CB-O 3.36Å
298S90.4Very high91.9Very high40 Ų4049.5 Ų49.528%0.2827%0.266SS..  trans-140.8172.8178.278.40000111.3Y185 E300 R301 P302Y185-S298 WeakPolarHBondContact CE1-O 3.24Å; S298-E300 VanDerWaalsContact CB-OE2 3.3Å; S298-E300 WeakPolarHBondContact CB-OE2 3.33Å; S298-E300 PolarHBondContact O-N 3.01Å; S298-E300 PolarHBondContact OG-N 3.1Å; S298-E300 PolarHBondContact OG-OE2 3.12Å; S298-R301 PolarHBondContact N-O 2.88Å; S298-R301 CarbonylContact O-C 3.56Å; S298-R301 PolarHBondContact O-N 3.49Å; S298-R301 PolarHBondContact OG-N 2.81Å; S298-P302 VanDerWaalsContact O-CA 3.32Å; S298-P302 WeakPolarHBondContact O-CA 3.4Å; S298-P302 WeakPolarHBondContact O-CD 3.22Å
299N87.5Confident91.9Very high115 Ų11548.3 Ų48.362%0.61526%0.258SS*.SBendtrans-59.5-36.3176.5-169.733.3000112.6Y185Y185-N299 HydrophobicContact CD2-CB 4.38Å; Y185-N299 HydrophobicContact CE2-CB 3.81Å
300E89.2Confident91.9Very high150 Ų15054.3 Ų54.370%0.70129%0.288SS*.SBendtrans-77.8-29.3179-51.871.8-152.200112.2S298S298-E300 VanDerWaalsContact CB-OE2 3.3Å; S298-E300 WeakPolarHBondContact CB-OE2 3.33Å; S298-E300 PolarHBondContact O-N 3.01Å; S298-E300 PolarHBondContact OG-N 3.1Å; S298-E300 PolarHBondContact OG-OE2 3.12Å
301R89.6Confident91.8Very high198 Ų19856 Ų5675%0.74730%0.295SS*.SBendtrans-136.174179.3-65.7-176.7178.7-179.1-0.8110.9S298S298-R301 PolarHBondContact N-O 2.88Å; S298-R301 CarbonylContact O-C 3.56Å; S298-R301 PolarHBondContact O-N 3.49Å; S298-R301 PolarHBondContact OG-N 2.81Å
302P89.7Confident91.5Very high44 Ų4460.6 Ų60.629%0.28633%0.325SS..EExtended strand (participates in β ladder)trans-60.6138.9178.2-26.837.7000111.1Y185 I234 S298Y185-P302 HydrophobicContact CE1-CB 3.91Å; Y185-P302 HydrophobicContact CE1-CG 4.1Å; I234-P302 HydrophobicContact CB-CB 3.81Å; I234-P302 WeakPolarHBondContact CD1-O 3.44Å; I234-P302 HydrophobicContact CG2-CB 3.77Å; S298-P302 VanDerWaalsContact O-CA 3.32Å; S298-P302 WeakPolarHBondContact O-CA 3.4Å; S298-P302 WeakPolarHBondContact O-CD 3.22Å
303K91.8Very high91.3Very high131 Ų13162.2 Ų62.257%0.5733%0.332SS*.EExtended strand (participates in β ladder)trans-133.6164.7173.6-66-175.1-179.9-177.60109.6F295 G296F295-K303 WeakPolarHBondContact CB-O 3.23Å; G296-K303 CarbonylContact C-O 3.03Å; G296-K303 WeakPolarHBondContact CA-O 3.4Å; G296-K303 PolarHBondContact N-O 3.09Å; G296-K303 CarbonylContact O-C 3.49Å; G296-K303 PolarHBondContact O-N 2.73Å
304L92.2Very high91Very high25 Ų2568.1 Ų68.113%0.13136%0.362CS..  trans-73.1156.2170.4-63.2175.7000109.8V228 I234 D276 F295 T306V228-L304 HydrophobicContact CB-CD2 4.23Å; I234-L304 HydrophobicContact CD1-CD2 4.34Å; I234-L304 HydrophobicContact CD1-CG 4.15Å; I234-L304 HydrophobicContact CG1-CD2 4.34Å; I234-L304 HydrophobicContact CG2-CD2 4.49Å; D276-L304 HydrophobicContact CB-CB 3.77Å; D276-L304 HydrophobicContact CB-CD1 4.4Å; D276-L304 WeakPolarHBondContact O-CD1 3.24Å; F295-L304 HydrophobicContact CD1-CD2 4.47Å; F295-L304 HydrophobicContact CE1-CD2 4.43Å; L304-T306 PolarHBondContact O-N 3.09Å
305L93.6Very high90.5Very high3 Ų370.5 Ų70.52%0.01639%0.387CS..BIsolated β-bridgetrans-66.6127177.2-68.6165.4000109L186 W274 D276 M277 L279 Y294 F295L186-L305 HydrophobicContact CB-CD2 3.78Å; L186-L305 HydrophobicContact CD1-CD2 3.99Å; L186-L305 HydrophobicContact CG-CD2 4.2Å; W274-L305 HydrophobicContact CZ2-CB 4.43Å; W274-L305 WeakPolarHBondContact CZ2-O 3.47Å; W274-L305 PolarHBondContact NE1-O 2.84Å; D276-L305 WeakPolarHBondContact CA-O 3.22Å; M277-L305 VanDerWaalsContact O-CB 3.25Å; M277-L305 WeakPolarHBondContact O-CB 3.37Å; M277-L305 PolarHBondContact O-N 2.83Å; L279-L305 HydrophobicContact CB-CD1 3.79Å; Y294-L305 WeakPolarHBondContact O-CD1 3.18Å; F295-L305 VanDerWaalsContact O-CD2 3.32Å; F295-L305 WeakPolarHBondContact O-CD2 3.48Å
306T92.7Very high90.1Very high48 Ų4873.8 Ų73.829%0.29441%0.411SS..  trans-104.2149.9175.258.10000109.8P188 L189 L304P188-T306 WeakPolarHBondContact CA-OG1 3.32Å; P188-T306 VanDerWaalsContact CB-OG1 3.29Å; P188-T306 WeakPolarHBondContact CB-OG1 3.41Å; L189-T306 PolarHBondContact N-O 2.88Å; L304-T306 PolarHBondContact O-N 3.09Å
307Y92.1Very high90Very high28 Ų2874.6 Ų74.611%0.1142%0.419CS..BIsolated β-bridgetrans-123.7114.9170.3-174.8-82000109.2L189 I191 L194 F254 S309L189-Y307 HydrophobicContact CB-CD2 3.82Å; L189-Y307 HydrophobicContact CB-CE2 4.49Å; L189-Y307 CarbonylContact O-C 3.49Å; L189-Y307 VanDerWaalsContact O-CA 3.26Å; L189-Y307 WeakPolarHBondContact O-CA 3.45Å; I191-Y307 PolarHBondContact N-OH 2.93Å; L194-Y307 HydrophobicContact CD1-CE2 4.26Å; F254-Y307 HydrophobicContact CE1-CD2 4.32Å; F254-Y307 HydrophobicContact CE1-CE2 4.22Å; F254-Y307 AromaticContact CZ-CD2 4Å; F254-Y307 HydrophobicContact CZ-CD2 4Å; F254-Y307 HydrophobicContact CZ-CE2 4.36Å; Y307-S309 PolarHBondContact O-N 3.46Å
308D91.3Very high90.1Very high58 Ų5873.3 Ų73.331%0.3140%0.401SS..  trans-90.3104.3178.2-168-11000110.4L189 N310 I311L189-D308 PolarHBondContact O-N 3.44Å; D308-N310 VanDerWaalsContact C-N 3.27Å; D308-N310 PolarHBondContact O-N 3.44Å; D308-N310 WeakPolarHBondContact OD1-CB 3.43Å; D308-N310 PolarHBondContact OD1-N 2.89Å; D308-N310 PolarHBondContact OD1-ND2 3.03Å; D308-I311 HydrophobicContact CB-CD1 3.94Å; D308-I311 HydrophobicContact CB-CG1 4.18Å
309S86.1Confident90.4Very high75 Ų7574.9 Ų74.952%0.52441%0.409SS..THydrogen-bonded Turntrans-79-6.3177.754.90000114.3Y307Y307-S309 PolarHBondContact O-N 3.46Å
310N89.5Confident90.7Very high140 Ų14072.2 Ų72.275%0.74940%0.397SS*.THydrogen-bonded Turntrans-86.4-14.7-179.6-54.9-54.9000112.6D308 P312D308-N310 VanDerWaalsContact C-N 3.27Å; D308-N310 PolarHBondContact O-N 3.44Å; D308-N310 WeakPolarHBondContact OD1-CB 3.43Å; D308-N310 PolarHBondContact OD1-N 2.89Å; D308-N310 PolarHBondContact OD1-ND2 3.03Å; N310-P312 VanDerWaalsContact O-CD 3.31Å; N310-P312 WeakPolarHBondContact O-CD 3.17Å
311I90.2Very high91.1Very high65 Ų6568.4 Ų68.433%0.33338%0.381SS..SBendtrans-77.3115.4177.3-61176000108.5D308D308-I311 HydrophobicContact CB-CD1 3.94Å; D308-I311 HydrophobicContact CB-CG1 4.18Å
312P89.2Confident91.3Very high97 Ų9759.7 Ų59.763%0.6335%0.35SS*.  trans-70.6162.217830.9-35.1000111.3N192 N310N192-P312 PolarHBondContact ND2-O 2.72Å; N310-P312 VanDerWaalsContact O-CD 3.31Å; N310-P312 WeakPolarHBondContact O-CD 3.17Å
313F90.5Very high91.6Very high35 Ų3561.6 Ų61.615%0.15436%0.363CS..  trans-64.8134.7172.6-174.6-90000110.8I191 N192 G315 R345 S346 N347I191-F313 HydrophobicContact CG1-CD2 4.48Å; I191-F313 HydrophobicContact CG2-CB 4.03Å; I191-F313 HydrophobicContact CG2-CD2 4.34Å; N192-F313 WeakPolarHBondContact OD1-CA 3.18Å; F313-G315 WeakPolarHBondContact CD1-O 3.26Å; F313-G315 WeakPolarHBondContact CE1-O 3.47Å; F313-R345 HydrophobicContact CE2-CB 4.24Å; F313-R345 HydrophobicContact CZ-CB 4.19Å; F313-S346 VanDerWaalsContact CZ-C 3.47Å; F313-N347 HydrophobicContact CD1-CB 3.64Å; F313-N347 HydrophobicContact CE1-CB 4.08Å; F313-N347 HydrophobicContact CG-CB 4.18Å
314I89.8Confident91.9Very high128 Ų12859.3 Ų59.366%0.65636%0.357SS*.  trans-107.8120-177.8-58.9171.5000108.4N192N192-I314 PolarHBondContact OD1-N 2.99Å
315G87.5Confident92.2Very high52 Ų5262 Ų6254%0.53637%0.374SS..  trans117.3151.6179.600000112.4F313F313-G315 WeakPolarHBondContact CD1-O 3.26Å; F313-G315 WeakPolarHBondContact CE1-O 3.47Å
316S85.4Confident92.2Very high70 Ų7064.1 Ų64.149%0.4938%0.384SS..SBendtrans-102.7-32.2179.948.90000113N394 Y396S316-N394 PolarHBondContact O-ND2 2.8Å; S316-Y396 WeakPolarHBondContact O-CD2 3.07Å
317G90.3Very high92.3Very high20 Ų2072 Ų7221%0.20641%0.408CS..SBendtrans-89.8172.2-175.400000115.2D397G317-D397 WeakPolarHBondContact CA-OD2 3.25Å
318I94.5Very high92.4Very high17 Ų1771.8 Ų71.89%0.08741%0.408CS..PPolyproline II helixtrans-87.8118.7174.1-57.7172.6000109.2Y344 R345 V392 N394 D397 V399I318-Y344 HydrophobicContact CG2-CD2 4.23Å; I318-R345 WeakPolarHBondContact CA-O 3.33Å; I318-V392 HydrophobicContact CD1-CB 4.29Å; I318-V392 HydrophobicContact CD1-CG1 3.86Å; I318-V392 VanDerWaalsContact CD1-O 3.3Å; I318-V392 WeakPolarHBondContact CD1-O 3.44Å; I318-N394 HydrophobicContact CD1-CB 4.43Å; I318-N394 HydrophobicContact CG1-CB 4.28Å; I318-N394 VanDerWaalsContact CG1-ND2 3.34Å; I318-N394 WeakPolarHBondContact CG1-ND2 3.37Å; I318-D397 HydrophobicContact CB-CB 4.4Å; I318-D397 HydrophobicContact CD1-CB 4.19Å; I318-D397 WeakPolarHBondContact CD1-O 3.23Å; I318-D397 HydrophobicContact CG1-CB 4.12Å; I318-D397 PolarHBondContact N-OD2 2.78Å; I318-V399 HydrophobicContact CB-CG2 3.91Å; I318-V399 HydrophobicContact CD1-CB 4.39Å; I318-V399 HydrophobicContact CD1-CG2 4.07Å; I318-V399 HydrophobicContact CG2-CB 4.3Å; I318-V399 HydrophobicContact CG2-CG2 3.76Å
319T94.8Very high92.3Very high73 Ų7372.2 Ų72.245%0.44841%0.413SS..EExtended strand (participates in β ladder)trans-94117.8173.7-54.10000110.5L321 Y344 R345T319-L321 HydrophobicContact CG2-CD2 4.04Å; T319-Y344 CarbonylContact O-C 3.58Å; T319-Y344 WeakPolarHBondContact O-CA 3.43Å; T319-Y344 WeakPolarHBondContact O-CB 3.44Å; T319-R345 PolarHBondContact N-O 3.06Å; T319-R345 PolarHBondContact O-N 3.08Å
320V95.3Very high92.5Very high59 Ų5968.6 Ų68.636%0.35839%0.388SS..EExtended strand (participates in β ladder)trans-87.4125.6-179.11790000110.9S322 L324 V399 F401V320-S322 WeakPolarHBondContact CG1-O 3.43Å; V320-L324 HydrophobicContact CG1-CD2 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 HydrophobicContact CG2-CD2 4.32Å; V320-V399 HydrophobicContact CG2-CB 4.46Å; V320-V399 HydrophobicContact CG2-CG1 3.76Å; V320-V399 HydrophobicContact CG2-CG2 3.94Å; V320-F401 HydrophobicContact CG1-CE1 3.78Å; V320-F401 HydrophobicContact CG1-CZ 3.93Å; V320-F401 HydrophobicContact CG2-CZ 4.27Å
321L96.3Very high92.4Very high71 Ų7162.2 Ų62.237%0.37235%0.354SS..  trans-121.13.3-177.4-56.1176000113.6P195 T319 K343 R345P195-L321 HydrophobicContact CG-CD1 4Å; T319-L321 HydrophobicContact CG2-CD2 4.04Å; L321-K343 CarbonylContact C-O 3.41Å; L321-K343 VanDerWaalsContact CA-O 3.28Å; L321-K343 WeakPolarHBondContact CA-O 2.89Å; L321-K343 HydrophobicContact CB-CB 3.81Å; L321-K343 WeakPolarHBondContact CB-O 3.46Å; L321-K343 PolarHBondContact N-O 3.05Å; L321-R345 HydrophobicContact CD1-CG 3.86Å
322S94Very high92.3Very high14 Ų1459.9 Ų59.910%0.09834%0.342CS..SBendtrans-134157.6172.758.70000110.4V320 L324 K343 F401V320-S322 WeakPolarHBondContact CG1-O 3.43Å; S322-L324 PolarHBondContact O-N 2.77Å; S322-K343 PolarHBondContact N-O 3.26Å; S322-K343 VanDerWaalsContact N-O 3.1Å; S322-K343 PolarHBondContact OG-N 3.16Å; S322-K343 PolarHBondContact OG-O 3.38Å; S322-F401 WeakPolarHBondContact OG-CE1 2.83Å
323P96.4Very high92.2Very high84 Ų8455.7 Ų55.755%0.54532%0.316SS..  trans-55.4140.3177.8-24.534.5000112.3T325 Q326P323-T325 VanDerWaalsContact C-N 3.27Å; P323-T325 PolarHBondContact O-N 2.86Å; P323-Q326 HydrophobicContact CB-CG 4.16Å
324L97.7Very high91.9Very high84 Ų8455.2 Ų55.244%0.4432%0.316SS..SBendtrans-70-23.9176.5-67178.3000112.8V320 S322 V399 F401 Q402V320-L324 HydrophobicContact CG1-CD2 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 HydrophobicContact CG2-CD2 4.32Å; S322-L324 PolarHBondContact O-N 2.77Å; L324-V399 HydrophobicContact CD2-CG1 3.53Å; L324-F401 HydrophobicContact CD2-CD1 4.05Å; L324-F401 HydrophobicContact CD2-CE1 3.95Å; L324-F401 HydrophobicContact CD2-CZ 4.39Å; L324-F401 CarbonylContact O-C 3.6Å; L324-F401 WeakPolarHBondContact O-CA 2.99Å; L324-Q402 PolarHBondContact O-N 3.44Å
325T98.2Very high90.9Very high81 Ų8154.4 Ų54.450%0.49731%0.31SS..EExtended strand (participates in β ladder)trans-129.9127.5177.5-51.90000110.1P323 Q402 L404P323-T325 VanDerWaalsContact C-N 3.27Å; P323-T325 PolarHBondContact O-N 2.86Å; T325-Q402 CarbonylContact C-O 3.5Å; T325-Q402 VanDerWaalsContact CA-O 3.3Å; T325-Q402 WeakPolarHBondContact CA-O 3.46Å; T325-L404 HydrophobicContact CG2-CD1 4.48Å
326Q95.3Very high89.9Confident47 Ų4752.1 Ų52.122%0.2229%0.286CS..EExtended strand (participates in β ladder)trans-129.9137.7-179-65.9177.2-113.400110.2P323 I328 Q402 F403 L404P323-Q326 HydrophobicContact CB-CG 4.16Å; Q326-I328 HydrophobicContact CB-CD1 4.31Å; Q326-Q402 PolarHBondContact N-O 2.97Å; Q326-F403 HydrophobicContact CB-CD1 3.83Å; Q326-F403 HydrophobicContact CB-CE1 4.18Å; Q326-F403 HydrophobicContact CG-CD1 4.47Å; Q326-F403 HydrophobicContact CG-CE1 4.33Å; Q326-F403 CarbonylContact O-C 3.53Å; Q326-F403 WeakPolarHBondContact O-CA 3.41Å; Q326-L404 PolarHBondContact O-N 2.75Å
327R94.9Very high89.6Confident214 Ų21451 Ų5181%0.80829%0.285SS*.EExtended strand (participates in β ladder)trans-104.5121.6174.4-64.1179.974151.71.3108.5L404R327-L404 HydrophobicContact CG-CB 4.37Å; R327-L404 HydrophobicContact CG-CD1 4.21Å
328I92.3Very high89.6Confident23 Ų2350.2 Ų50.212%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-119.1118.4-173.6-54.4-60.8000107.8A215 Q326 L338 L340 F403 L404 V405 S406A215-I328 HydrophobicContact CB-CG2 3.76Å; Q326-I328 HydrophobicContact CB-CD1 4.31Å; I328-L338 HydrophobicContact CG2-CD1 4.02Å; I328-L340 HydrophobicContact CB-CD2 4.38Å; I328-L340 HydrophobicContact CG1-CD2 3.84Å; I328-L340 HydrophobicContact CG2-CD2 4.23Å; I328-F403 HydrophobicContact CG1-CD1 4.23Å; I328-L404 PolarHBondContact N-O 3.45Å; I328-V405 HydrophobicContact CB-CG2 4.21Å; I328-V405 CarbonylContact O-C 3.36Å; I328-V405 WeakPolarHBondContact O-CA 3.46Å; I328-S406 PolarHBondContact O-N 2.89Å
329T89.8Confident89.4Confident67 Ų6753.1 Ų53.141%0.41129%0.288SS..EExtended strand (participates in β ladder)trans-108.1132172.1-55.70000107.9D214 A215 S406 V408D214-T329 WeakPolarHBondContact CB-O 3.41Å; A215-T329 PolarHBondContact N-O 3.23Å; T329-S406 WeakPolarHBondContact CA-O 3.45Å; T329-V408 HydrophobicContact CG2-CB 4.31Å; T329-V408 HydrophobicContact CG2-CG1 3.84Å; T329-V408 HydrophobicContact CG2-CG2 3.47Å; T329-V408 VanDerWaalsContact CG2-CG2 3.47Å
330V89.9Confident89.4Confident0 Ų049.8 Ų49.80%027%0.267CS..EExtended strand (participates in β ladder)trans-137.2141.5-179.863.90000110.5A216 T336 L338 I380 V405 S406 V407 V408A216-V330 HydrophobicContact CB-CG2 4.15Å; V330-T336 HydrophobicContact CG2-CG2 4.01Å; V330-L338 HydrophobicContact CB-CD2 3.98Å; V330-L338 HydrophobicContact CG1-CD2 3.84Å; V330-L338 HydrophobicContact CG2-CB 4.47Å; V330-L338 HydrophobicContact CG2-CD2 4.06Å; V330-I380 HydrophobicContact CG1-CG2 4.05Å; V330-V405 HydrophobicContact CG1-CG1 4.49Å; V330-S406 PolarHBondContact N-O 3.39Å; V330-S406 VanDerWaalsContact N-O 3.08Å; V330-V407 HydrophobicContact CG1-CB 4.39Å; V330-V407 HydrophobicContact CG1-CG2 3.81Å; V330-V407 CarbonylContact O-C 3.59Å; V330-V407 WeakPolarHBondContact O-CA 3.4Å; V330-V408 WeakPolarHBondContact O-CG2 3.44Å; V330-V408 PolarHBondContact O-N 2.92Å
331R88.4Confident89.2Confident6 Ų649 Ų492%0.02326%0.26CS..EExtended strand (participates in β ladder)trans-75138176.9-62.6-72.4-81.4155.8-12.3110.2E164 D214 V408 G409 Y512E164-R331 IonicContact OE1-NH2 3.01Å; E164-R331 PolarHBondContact OE1-NH2 2.82Å; E164-R331 IonicContact OE2-NH2 2.72Å; E164-R331 PolarHBondContact OE2-NH2 2.89Å; D214-R331 WeakPolarHBondContact OD2-CB 3.46Å; D214-R331 PolarHBondContact OD2-N 3.3Å; R331-V408 CarbonylContact C-O 3.59Å; R331-V408 VanDerWaalsContact CA-O 3.24Å; R331-V408 WeakPolarHBondContact CA-O 3.24Å; R331-G409 VanDerWaalsContact NH1-CA 3.27Å; R331-Y512 PolarHBondContact NH2-O 2.8Å
332I88.5Confident89.1Confident16 Ų1645.6 Ų45.68%0.08224%0.242CC..SBendtrans-58.5143.9167-168162.3000110.2R60 I380 R382 V407 V408 E412R60-I332 PolarHBondContact NH1-O 3.12Å; I332-I380 VanDerWaalsContact CG1-O 3.31Å; I332-I380 WeakPolarHBondContact CG1-O 3.39Å; I332-R382 HydrophobicContact CD1-CG 3.9Å; I332-V407 HydrophobicContact CB-CG1 4Å; I332-V407 HydrophobicContact CG1-CG1 4.47Å; I332-V408 PolarHBondContact N-O 2.92Å; I332-E412 WeakPolarHBondContact CD1-OE1 3.28Å
333G85.9Confident89.1Confident8 Ų848.3 Ų48.38%0.08225%0.252CS..EExtended strand (participates in β ladder)trans130.8-178.6177.100000113.8I380G333-I380 PolarHBondContact N-O 2.72Å; G333-I380 VanDerWaalsContact N-O 3.13Å; G333-I380 PolarHBondContact O-N 3.23Å
334P83.9Confident89.1Confident26 Ų2644.4 Ų44.417%0.16923%0.227CC..EExtended strand (participates in β ladder)trans-79.8169.1-179.535.1-36.2000113F39 T336 D378 F379F39-P334 HydrophobicContact CB-CG 4.21Å; F39-P334 HydrophobicContact CD1-CG 3.09Å; F39-P334 HydrophobicContact CD2-CG 4.39Å; F39-P334 HydrophobicContact CE1-CG 3.33Å; F39-P334 HydrophobicContact CG-CG 3.66Å; F39-P334 HydrophobicContact CZ-CG 4.12Å; P334-T336 PolarHBondContact O-N 2.81Å; P334-T336 VanDerWaalsContact O-N 3.12Å; P334-D378 CarbonylContact C-O 3.51Å; P334-D378 WeakPolarHBondContact CA-O 3.43Å; P334-F379 HydrophobicContact CB-CD2 3.74Å; P334-F379 HydrophobicContact CB-CE2 4.21Å; P334-F379 HydrophobicContact CG-CD2 4.36Å; P334-F379 HydrophobicContact CG-CE2 4.34Å
335Q68.9Low88.9Confident111 Ų11144.1 Ų44.152%0.51922%0.22SC..  trans49.637.4171.3-48.6-17017.800114.4E41 G337 D378E41-Q335 WeakPolarHBondContact OE2-CB 3.29Å; E41-Q335 WeakPolarHBondContact OE2-CG 3.39Å; E41-Q335 PolarHBondContact OE2-OE1 3.16Å; Q335-G337 VanDerWaalsContact C-N 3.28Å; Q335-D378 PolarHBondContact N-O 3.17Å
336T66.6Low88.7Confident4 Ų440.5 Ų40.53%0.02520%0.198CC..  trans-69.2-32.9173.967.40000110.7A216 V330 P334 L338 I380A216-T336 WeakPolarHBondContact CB-O 3.29Å; V330-T336 HydrophobicContact CG2-CG2 4.01Å; P334-T336 PolarHBondContact O-N 2.81Å; P334-T336 VanDerWaalsContact O-N 3.12Å; T336-L338 PolarHBondContact O-N 3.18Å; T336-L338 VanDerWaalsContact O-N 3.16Å; T336-L338 PolarHBondContact OG1-N 2.9Å; T336-I380 HydrophobicContact CG2-CB 4.11Å; T336-I380 HydrophobicContact CG2-CG1 3.49Å; T336-I380 VanDerWaalsContact CG2-CG1 3.49Å; T336-I380 WeakPolarHBondContact OG1-CG1 3.2Å
337G79.2Confident88.5Confident46 Ų4640 Ų4047%0.47420%0.197SC..  trans61.120.5-174.100000113.2Q335 K339Q335-G337 VanDerWaalsContact C-N 3.28Å; G337-K339 PolarHBondContact O-N 3.07Å
338L90.3Very high88.1Confident3 Ų332.5 Ų32.52%0.01618%0.175CC..  trans-59.5132.7-174.7178.667.7000111.3A215 A216 I328 V330 T336 F376A215-L338 HydrophobicContact CB-CD1 4.11Å; A216-L338 HydrophobicContact CB-CB 3.96Å; A216-L338 HydrophobicContact CB-CD1 4.14Å; I328-L338 HydrophobicContact CG2-CD1 4.02Å; V330-L338 HydrophobicContact CB-CD2 3.98Å; V330-L338 HydrophobicContact CG1-CD2 3.84Å; V330-L338 HydrophobicContact CG2-CB 4.47Å; V330-L338 HydrophobicContact CG2-CD2 4.06Å; T336-L338 PolarHBondContact O-N 3.18Å; T336-L338 VanDerWaalsContact O-N 3.16Å; T336-L338 PolarHBondContact OG1-N 2.9Å; L338-F376 HydrophobicContact CB-CB 4.12Å; L338-F376 HydrophobicContact CB-CG 4.34Å; L338-F376 HydrophobicContact CD2-CB 4.48Å; L338-F376 HydrophobicContact CD2-CD1 3.82Å; L338-F376 HydrophobicContact CD2-CD2 4.15Å; L338-F376 HydrophobicContact CD2-CE1 4.05Å; L338-F376 HydrophobicContact CD2-CE2 4.42Å; L338-F376 HydrophobicContact CD2-CG 3.86Å; L338-F376 HydrophobicContact CD2-CZ 4.35Å; L338-F376 HydrophobicContact CG-CB 4.49Å; L338-F376 HydrophobicContact CG-CD2 4.22Å; L338-F376 HydrophobicContact CG-CG 4.17Å; L338-F376 WeakPolarHBondContact O-CB 3Å; L338-F376 PolarHBondContact O-N 2.96Å
339K90.6Very high87.7Confident79 Ų7939.2 Ų39.234%0.34321%0.206SC..EExtended strand (participates in β ladder)trans-135131175.5-65.4167.4-168.1164.70109.1Y257 G337 M341 L373 L374 K375Y257-K339 HydrophobicContact CD2-CD 3.83Å; Y257-K339 HydrophobicContact CE2-CD 3.95Å; G337-K339 PolarHBondContact O-N 3.07Å; K339-M341 HydrophobicContact CB-CG 4.37Å; K339-M341 HydrophobicContact CB-SD 4.46Å; K339-L373 HydrophobicContact CD-CD1 4.39Å; K339-L373 HydrophobicContact CG-CD1 4.42Å; K339-L374 WeakPolarHBondContact CA-O 3.32Å; K339-K375 HydrophobicContact CG-CG 4.24Å
340L94.5Very high87.6Confident2 Ų241.5 Ų41.51%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-87.5139.8165.7-54.9179.3000108I328 W355 L373 L374 F376 Y388 F403 V405I328-L340 HydrophobicContact CB-CD2 4.38Å; I328-L340 HydrophobicContact CG1-CD2 3.84Å; I328-L340 HydrophobicContact CG2-CD2 4.23Å; L340-W355 HydrophobicContact CB-CH2 4.21Å; L340-W355 HydrophobicContact CB-CZ3 4.47Å; L340-L373 CarbonylContact O-C 3.5Å; L340-L373 WeakPolarHBondContact O-CA 3.28Å; L340-L373 WeakPolarHBondContact O-CB 3.33Å; L340-L374 HydrophobicContact CB-CB 4.38Å; L340-L374 HydrophobicContact CD1-CD2 4.28Å; L340-L374 PolarHBondContact N-O 2.97Å; L340-L374 PolarHBondContact O-N 3.09Å; L340-F376 HydrophobicContact CD1-CE2 3.62Å; L340-F376 HydrophobicContact CD1-CZ 3.92Å; L340-F376 HydrophobicContact CD2-CE2 4.32Å; L340-F376 HydrophobicContact CG-CD2 4.43Å; L340-F376 HydrophobicContact CG-CE2 3.57Å; L340-F376 HydrophobicContact CG-CZ 4.2Å; L340-Y388 HydrophobicContact CD1-CD1 4.21Å; L340-Y388 HydrophobicContact CD1-CD2 4.23Å; L340-Y388 HydrophobicContact CD1-CG 3.79Å; L340-F403 HydrophobicContact CB-CD1 4.07Å; L340-F403 HydrophobicContact CB-CD2 4.34Å; L340-F403 HydrophobicContact CB-CE1 4.05Å; L340-F403 HydrophobicContact CB-CE2 4.35Å; L340-F403 HydrophobicContact CB-CG 4.21Å; L340-F403 HydrophobicContact CB-CZ 4.2Å; L340-F403 HydrophobicContact CD1-CB 3.82Å; L340-F403 HydrophobicContact CD1-CD1 4.4Å; L340-F403 HydrophobicContact CD1-CD2 4.16Å; L340-F403 HydrophobicContact CD1-CG 3.89Å; L340-F403 HydrophobicContact CD2-CB 4.2Å; L340-F403 HydrophobicContact CD2-CD1 3.89Å; L340-F403 HydrophobicContact CD2-CG 4.16Å; L340-F403 HydrophobicContact CG-CD1 4.33Å; L340-F403 HydrophobicContact CG-CG 4.31Å; L340-V405 HydrophobicContact CD1-CG2 3.97Å; L340-V405 HydrophobicContact CD2-CG2 3.93Å
341M91Very high87.8Confident42 Ų4242.9 Ų42.921%0.20722%0.221CC..EExtended strand (participates in β ladder)trans-144.5136.4-167.3-70.3152.13200110.8Y257 K339 Y372 L373 F403Y257-M341 HydrophobicContact CD1-CE 3.37Å; Y257-M341 HydrophobicContact CD1-SD 3.34Å; Y257-M341 WeakPolarHBondContact CD1-SD 3.3Å; Y257-M341 HydrophobicContact CD2-SD 3.87Å; Y257-M341 HydrophobicContact CE1-CE 3.18Å; Y257-M341 HydrophobicContact CE1-SD 3.1Å; Y257-M341 WeakPolarHBondContact CE1-SD 3.1Å; Y257-M341 HydrophobicContact CE2-SD 3.68Å; Y257-M341 HydrophobicContact CG-CE 4.26Å; Y257-M341 HydrophobicContact CG-SD 3.69Å; K339-M341 HydrophobicContact CB-CG 4.37Å; K339-M341 HydrophobicContact CB-SD 4.46Å; M341-Y372 WeakPolarHBondContact CA-O 3Å; M341-L373 HydrophobicContact CG-CB 4.17Å; M341-F403 WeakPolarHBondContact O-CZ 3.29Å
342T94.8Very high88.1Confident0 Ų048.1 Ų48.10%025%0.248CC..  trans-123.8144.5175.955.50000110.5Y267 Y372 L390 F401 F403Y267-T342 WeakPolarHBondContact CE1-O 3.36Å; T342-Y372 PolarHBondContact N-O 2.61Å; T342-Y372 PolarHBondContact OG1-O 2.75Å; T342-L390 HydrophobicContact CG2-CD2 3.68Å; T342-L390 VanDerWaalsContact OG1-CD2 3.24Å; T342-L390 WeakPolarHBondContact OG1-CD2 3.28Å; T342-F401 HydrophobicContact CG2-CB 3.72Å; T342-F401 HydrophobicContact CG2-CD1 3.83Å; T342-F401 HydrophobicContact CG2-CD2 3.89Å; T342-F401 HydrophobicContact CG2-CE1 4.42Å; T342-F401 HydrophobicContact CG2-CE2 4.48Å; T342-F401 HydrophobicContact CG2-CG 3.54Å; T342-F403 HydrophobicContact CG2-CE2 3.76Å; T342-F403 HydrophobicContact CG2-CZ 3.49Å; T342-F403 VanDerWaalsContact CG2-CZ 3.49Å
343K94.7Very high88.4Confident71 Ų7149 Ų4931%0.30925%0.254SS..  trans-115.6118.2171-63.4-179.1-70.71780108.3P195 V265 Y267 L321 S322P195-K343 HydrophobicContact CG-CB 4.01Å; P195-K343 HydrophobicContact CG-CG 4.42Å; V265-K343 HydrophobicContact CG1-CD 4.25Å; V265-K343 HydrophobicContact CG1-CG 4.45Å; Y267-K343 HydrophobicContact CE1-CG 4.06Å; L321-K343 CarbonylContact C-O 3.41Å; L321-K343 VanDerWaalsContact CA-O 3.28Å; L321-K343 WeakPolarHBondContact CA-O 2.89Å; L321-K343 HydrophobicContact CB-CB 3.81Å; L321-K343 WeakPolarHBondContact CB-O 3.46Å; L321-K343 PolarHBondContact N-O 3.05Å; S322-K343 PolarHBondContact N-O 3.26Å; S322-K343 VanDerWaalsContact N-O 3.1Å; S322-K343 PolarHBondContact OG-N 3.16Å; S322-K343 PolarHBondContact OG-O 3.38Å
344Y95.4Very high88.9Confident2 Ų254.9 Ų54.91%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-152.4159.9174.367.4-91.3000110.1P195 I318 T319 T351 V353 D371 Y372 L390 V392 F401P195-Y344 WeakPolarHBondContact CD-O 3.2Å; I318-Y344 HydrophobicContact CG2-CD2 4.23Å; T319-Y344 CarbonylContact O-C 3.58Å; T319-Y344 WeakPolarHBondContact O-CA 3.43Å; T319-Y344 WeakPolarHBondContact O-CB 3.44Å; Y344-T351 HydrophobicContact CE2-CG2 4.48Å; Y344-V353 WeakPolarHBondContact OH-CG2 3.31Å; Y344-D371 PolarHBondContact OH-O 3.06Å; Y344-D371 VanDerWaalsContact OH-O 3.1Å; Y344-Y372 HydrophobicContact CD1-CD1 4.2Å; Y344-Y372 HydrophobicContact CD1-CE1 4.35Å; Y344-Y372 AromaticContact CE1-CD1 3.69Å; Y344-Y372 HydrophobicContact CE1-CD1 3.69Å; Y344-Y372 AromaticContact CE1-CE1 3.87Å; Y344-Y372 HydrophobicContact CE1-CE1 3.87Å; Y344-Y372 HydrophobicContact CE2-CE1 4.11Å; Y344-Y372 AromaticContact CZ-CD1 4Å; Y344-Y372 AromaticContact CZ-CE1 3.73Å; Y344-L390 HydrophobicContact CE1-CD2 4.25Å; Y344-V392 HydrophobicContact CD1-CG2 4.21Å; Y344-V392 HydrophobicContact CD2-CG1 4.03Å; Y344-V392 HydrophobicContact CE1-CG1 4.48Å; Y344-V392 HydrophobicContact CE1-CG2 3.71Å; Y344-V392 HydrophobicContact CE2-CG1 3.5Å; Y344-V392 HydrophobicContact CE2-CG2 4.24Å; Y344-F401 AromaticContact CD1-CE2 3.96Å; Y344-F401 HydrophobicContact CD1-CE2 3.96Å; Y344-F401 HydrophobicContact CD1-CZ 4.26Å; Y344-F401 HydrophobicContact CG-CE2 4.36Å; Y344-F401 HydrophobicContact CG-CZ 4.47Å
345R94.8Very high89.5Confident79 Ų7954.1 Ų54.130%0.29827%0.271SS..EExtended strand (participates in β ladder)trans-114.2132171.3-55.1-169.7168.5144.8-5.3109.7N192 D193 L194 F313 I318 T319 L321N192-R345 VanDerWaalsContact O-CZ 3.27Å; N192-R345 PolarHBondContact O-NE 3.27Å; D193-R345 PolarHBondContact O-NH2 2.88Å; L194-R345 WeakPolarHBondContact O-CD 3.45Å; L194-R345 VanDerWaalsContact O-CG 3.25Å; L194-R345 WeakPolarHBondContact O-CG 3.47Å; L194-R345 PolarHBondContact O-NE 2.86Å; F313-R345 HydrophobicContact CE2-CB 4.24Å; F313-R345 HydrophobicContact CZ-CB 4.19Å; I318-R345 WeakPolarHBondContact CA-O 3.33Å; T319-R345 PolarHBondContact N-O 3.06Å; T319-R345 PolarHBondContact O-N 3.08Å; L321-R345 HydrophobicContact CD1-CG 3.86Å
346S93.5Very high90.9Very high5 Ų549.9 Ų49.94%0.03525%0.253CS..  trans-156.6154.2173.4-173.10000109.2F313 P348 T351 N394F313-S346 VanDerWaalsContact CZ-C 3.47Å; S346-P348 WeakPolarHBondContact O-CD 3.5Å; S346-T351 VanDerWaalsContact CB-OG1 3.26Å; S346-T351 WeakPolarHBondContact CB-OG1 3.18Å; S346-T351 PolarHBondContact OG-OG1 2.82Å; S346-N394 PolarHBondContact OG-ND2 3.09Å
347N90.9Very high92.3Very high37 Ų3751 Ų5120%0.19826%0.257CS..  trans-65.4114.2177.6-178.7-8.7000110.3F313 E349 H350 T351F313-N347 HydrophobicContact CD1-CB 3.64Å; F313-N347 HydrophobicContact CE1-CB 4.08Å; F313-N347 HydrophobicContact CG-CB 4.18Å; N347-E349 PolarHBondContact O-N 2.78Å; N347-E349 PolarHBondContact OD1-N 2.97Å; N347-E349 VanDerWaalsContact OD1-N 3.12Å; N347-H350 PolarHBondContact O-N 3.15Å; N347-T351 WeakPolarHBondContact O-CB 3.5Å; N347-T351 PolarHBondContact O-N 2.92Å; N347-T351 VanDerWaalsContact O-N 3.12Å; N347-T351 PolarHBondContact O-OG1 2.96Å
348P85.9Confident93.2Very high55 Ų5552.9 Ų52.936%0.35726%0.256SS..THydrogen-bonded Turntrans-62.8-26.1-174.4-22.834.6000114.7I191 S346 H350I191-P348 HydrophobicContact CD1-CG 3.75Å; S346-P348 WeakPolarHBondContact O-CD 3.5Å; P348-H350 PolarHBondContact O-N 2.88Å
349E84.9Confident93.4Very high164 Ų16455.7 Ų55.777%0.76629%0.286SS*.THydrogen-bonded Turntrans-70.1-23.4-178.7-63.9-170.6161.400112.9N347N347-E349 PolarHBondContact O-N 2.78Å; N347-E349 PolarHBondContact OD1-N 2.97Å; N347-E349 VanDerWaalsContact OD1-N 3.12Å
350H87.9Confident93.7Very high115 Ų11559.8 Ų59.853%0.53230%0.304SS..SBendtrans-122.19.6-177.1-57.6-45.7000112.8N347 P348 N394N347-H350 PolarHBondContact O-N 3.15Å; P348-H350 PolarHBondContact O-N 2.88Å; H350-N394 WeakPolarHBondContact O-CA 3.17Å
351T93.6Very high93.7Very high29 Ų2970.1 Ų70.118%0.17834%0.343CS..  trans-96.4126.6-179.6-60.10000110.4Y344 S346 N347 V353 V392 E393Y344-T351 HydrophobicContact CE2-CG2 4.48Å; S346-T351 VanDerWaalsContact CB-OG1 3.26Å; S346-T351 WeakPolarHBondContact CB-OG1 3.18Å; S346-T351 PolarHBondContact OG-OG1 2.82Å; N347-T351 WeakPolarHBondContact O-CB 3.5Å; N347-T351 PolarHBondContact O-N 2.92Å; N347-T351 VanDerWaalsContact O-N 3.12Å; N347-T351 PolarHBondContact O-OG1 2.96Å; T351-V353 HydrophobicContact CG2-CG2 3.86Å; T351-V392 HydrophobicContact CG2-CG1 3.69Å; T351-E393 CarbonylContact C-O 3.53Å; T351-E393 WeakPolarHBondContact CA-O 2.98Å
352I94.8Very high93.9Very high116 Ų11668.8 Ų68.860%0.59534%0.336SS*.EExtended strand (participates in β ladder)trans-112133.1172.5-59174.9000107.8E393I352-E393 PolarHBondContact N-O 2.97Å; I352-E393 PolarHBondContact O-N 2.85Å
353V95Very high93.7Very high34 Ų3471.3 Ų71.321%0.20635%0.353CS..EExtended strand (participates in β ladder)trans-123.8133.7-176-173.80000110.1Y344 T351 D371 L390 L391Y344-V353 WeakPolarHBondContact OH-CG2 3.31Å; T351-V353 HydrophobicContact CG2-CG2 3.86Å; V353-D371 HydrophobicContact CB-CB 4.46Å; V353-D371 HydrophobicContact CG2-CB 3.97Å; V353-L390 HydrophobicContact CG1-CD1 3.13Å; V353-L390 HydrophobicContact CG1-CD2 4.41Å; V353-L390 HydrophobicContact CG1-CG 4.04Å; V353-L391 WeakPolarHBondContact CA-O 3.44Å
354K95.5Very high93.5Very high132 Ų13274.1 Ų74.157%0.57438%0.381SS*.EExtended strand (participates in β ladder)trans-138.2116.3-179.6-173.5179.8178.7-178.30111.9T356 L391K354-T356 HydrophobicContact CG-CG2 4.42Å; K354-L391 HydrophobicContact CB-CB 4.42Å; K354-L391 PolarHBondContact N-O 2.96Å; K354-L391 PolarHBondContact O-N 3.45Å
355W97.1Very high93.1Very high11 Ų1178.4 Ų78.44%0.04240%0.404CS..EExtended strand (participates in β ladder)trans-85.8139170.5-75.695.1000112L340 I362 H369 N370 L374 N389 L390 F403L340-W355 HydrophobicContact CB-CH2 4.21Å; L340-W355 HydrophobicContact CB-CZ3 4.47Å; W355-I362 HydrophobicContact CB-CD1 4.13Å; W355-I362 HydrophobicContact CB-CG1 3.57Å; W355-H369 AromaticContact CD1-CD2 3.4Å; W355-H369 VanDerWaalsContact CD1-CD2 3.4Å; W355-H369 AromaticContact CD1-CG 3.8Å; W355-H369 HydrophobicContact CG-CB 4.46Å; W355-N370 PolarHBondContact NE1-O 2.89Å; W355-L374 HydrophobicContact CD2-CB 4.05Å; W355-L374 HydrophobicContact CD2-CD2 4.48Å; W355-L374 HydrophobicContact CE3-CB 4.08Å; W355-L374 HydrophobicContact CE3-CD2 4.04Å; W355-L374 HydrophobicContact CH2-CB 4.03Å; W355-L374 HydrophobicContact CZ2-CB 4Å; W355-L374 HydrophobicContact CZ3-CB 4.07Å; W355-L374 HydrophobicContact CZ3-CD2 4.37Å; W355-N389 CarbonylContact C-O 3.55Å; W355-N389 WeakPolarHBondContact CA-O 3.22Å; W355-L390 HydrophobicContact CD2-CB 4.16Å; W355-L390 HydrophobicContact CD2-CD1 3.59Å; W355-L390 HydrophobicContact CD2-CG 4.42Å; W355-L390 HydrophobicContact CE3-CB 3.98Å; W355-L390 HydrophobicContact CE3-CD1 4.27Å; W355-L390 HydrophobicContact CG-CD1 3.75Å; W355-L390 HydrophobicContact CH2-CB 3.86Å; W355-L390 HydrophobicContact CH2-CD1 4.49Å; W355-L390 HydrophobicContact CH2-CD2 4.23Å; W355-L390 HydrophobicContact CH2-CG 4.41Å; W355-L390 HydrophobicContact CZ2-CB 4.02Å; W355-L390 HydrophobicContact CZ2-CD1 3.85Å; W355-L390 HydrophobicContact CZ2-CD2 3.77Å; W355-L390 HydrophobicContact CZ2-CG 4.08Å; W355-L390 HydrophobicContact CZ3-CB 3.84Å; W355-L390 VanDerWaalsContact NE1-CD1 3.33Å; W355-F403 HydrophobicContact CH2-CD2 4.34Å; W355-F403 AromaticContact CH2-CE2 3.72Å; W355-F403 HydrophobicContact CH2-CE2 3.72Å; W355-F403 HydrophobicContact CH2-CZ 4.37Å; W355-F403 HydrophobicContact CZ3-CD2 4.03Å; W355-F403 AromaticContact CZ3-CE2 3.84Å; W355-F403 HydrophobicContact CZ3-CE2 3.84Å
356T97.6Very high93.1Very high22 Ų2275.4 Ų75.414%0.13539%0.393CS..EExtended strand (participates in β ladder)trans-137.6150.9172.759.60000111.7K354 K360 I362 Y388 N389K354-T356 HydrophobicContact CG-CG2 4.42Å; T356-K360 CarbonylContact C-O 3.58Å; T356-K360 WeakPolarHBondContact CA-O 3.41Å; T356-K360 WeakPolarHBondContact CB-O 3.24Å; T356-I362 VanDerWaalsContact C-CD1 3.47Å; T356-Y388 CarbonylContact O-C 3.57Å; T356-Y388 VanDerWaalsContact O-CA 3.3Å; T356-Y388 WeakPolarHBondContact O-CA 3.29Å; T356-N389 PolarHBondContact N-O 2.67Å; T356-N389 PolarHBondContact O-N 2.77Å
357K97.5Very high92.9Very high28 Ų2879 Ų7912%0.12242%0.417CS..EExtended strand (participates in β ladder)trans-119.3122.8170.1179.6-173.1-169-73.60107.6G359 K360 I362 P363 E383 S385 Y388K357-G359 PolarHBondContact O-N 2.87Å; K357-K360 PolarHBondContact N-O 2.83Å; K357-K360 PolarHBondContact O-N 2.85Å; K357-I362 HydrophobicContact CB-CD1 3.87Å; K357-P363 HydrophobicContact CD-CG 4.26Å; K357-E383 PolarHBondContact NZ-O 2.89Å; K357-S385 WeakPolarHBondContact CE-O 3.27Å; K357-S385 PolarHBondContact NZ-O 3.2Å; K357-Y388 HydrophobicContact CB-CD1 3.99Å; K357-Y388 HydrophobicContact CB-CE1 3.84Å; K357-Y388 HydrophobicContact CD-CE1 3.84Å; K357-Y388 HydrophobicContact CD-CE2 4.3Å; K357-Y388 WeakPolarHBondContact CD-OH 3.1Å; K357-Y388 WeakPolarHBondContact CE-OH 3.19Å; K357-Y388 HydrophobicContact CG-CD1 4.2Å; K357-Y388 HydrophobicContact CG-CE1 3.78Å; K357-Y388 HydrophobicContact CG-CE2 4.11Å
358D97.4Very high92.7Very high84 Ų8478.5 Ų78.545%0.44942%0.42SS..THydrogen-bonded Turntrans51.640.1179.4-51.9-46.5000112.1K360 G386 T387D358-K360 PolarHBondContact O-N 2.95Å; D358-G386 WeakPolarHBondContact OD1-CA 3.28Å; D358-T387 PolarHBondContact N-O 2.92Å; D358-T387 PolarHBondContact OD1-N 2.85Å
359G95.2Very high92.8Very high62 Ų6280.8 Ų80.864%0.63943%0.426SS*.THydrogen-bonded Turntrans76.7-5.2-17800000115.7K357K357-G359 PolarHBondContact O-N 2.87Å
360K96.3Very high93.1Very high165 Ų16574.7 Ų74.772%0.71740%0.399SS*.EExtended strand (participates in β ladder)trans-104.6166.6179-63.2179.5-177.2176.60111.3T356 K357 D358T356-K360 CarbonylContact C-O 3.58Å; T356-K360 WeakPolarHBondContact CA-O 3.41Å; T356-K360 WeakPolarHBondContact CB-O 3.24Å; K357-K360 PolarHBondContact N-O 2.83Å; K357-K360 PolarHBondContact O-N 2.85Å; D358-K360 PolarHBondContact O-N 2.95Å
361R94.7Very high93.3Very high219 Ų21972.1 Ų72.183%0.82639%0.389SS*.EExtended strand (participates in β ladder)trans-58.4144.2173.6-172.6178.4-178.6-178.20.8110.1
362I94.3Very high93.3Very high14 Ų1471.7 Ų71.77%0.07238%0.384CS..PPolyproline II helixtrans-53131.3173.1-60.3-60000110W355 T356 K357 F366 L374 Y388W355-I362 HydrophobicContact CB-CD1 4.13Å; W355-I362 HydrophobicContact CB-CG1 3.57Å; T356-I362 VanDerWaalsContact C-CD1 3.47Å; K357-I362 HydrophobicContact CB-CD1 3.87Å; I362-F366 HydrophobicContact CG2-CB 3.83Å; I362-F366 HydrophobicContact CG2-CD1 4.07Å; I362-F366 HydrophobicContact CG2-CD2 4Å; I362-F366 HydrophobicContact CG2-CG 3.67Å; I362-L374 HydrophobicContact CD1-CD2 3.83Å; I362-L374 HydrophobicContact CG1-CD1 4.49Å; I362-L374 HydrophobicContact CG1-CD2 4.45Å; I362-L374 HydrophobicContact CG2-CD1 4.08Å; I362-Y388 HydrophobicContact CD1-CD1 3.8Å; I362-Y388 HydrophobicContact CD1-CE1 4.08Å
363P92Very high93.2Very high54 Ų5466.5 Ų66.535%0.35136%0.358SS..PPolyproline II helixtrans-54146.5175.6-3038.1000113.5K357 N365 F366K357-P363 HydrophobicContact CD-CG 4.26Å; P363-N365 WeakPolarHBondContact CB-OD1 3.41Å; P363-N365 PolarHBondContact O-N 3.29Å; P363-F366 HydrophobicContact CB-CD2 4.1Å; P363-F366 HydrophobicContact CB-CE2 4.33Å; P363-F366 HydrophobicContact CG-CD2 4.5Å; P363-F366 HydrophobicContact CG-CE2 4.34Å; P363-F366 PolarHBondContact O-N 2.77Å
364S88.8Confident93.2Very high130 Ų13064.9 Ų64.991%0.90935%0.348SS*.THydrogen-bonded Turntrans-68.1-15.3-176.550.90000114.8F366S364-F366 VanDerWaalsContact C-N 3.26Å; S364-F366 PolarHBondContact O-N 3.23Å
365N88.6Confident93.1Very high91 Ų9163.4 Ų63.449%0.48734%0.341SS..THydrogen-bonded Turntrans-78.2-6.417869.2-46000113.7P363P363-N365 WeakPolarHBondContact CB-OD1 3.41Å; P363-N365 PolarHBondContact O-N 3.29Å
366F93.1Very high92.9Very high16 Ų1663.2 Ų63.27%0.0734%0.341CS..SBendtrans-72133.4174.2-82.5-114.9000109.7I362 P363 S364 G368 L374 K375 F376 P377 Y388I362-F366 HydrophobicContact CG2-CB 3.83Å; I362-F366 HydrophobicContact CG2-CD1 4.07Å; I362-F366 HydrophobicContact CG2-CD2 4Å; I362-F366 HydrophobicContact CG2-CG 3.67Å; P363-F366 HydrophobicContact CB-CD2 4.1Å; P363-F366 HydrophobicContact CB-CE2 4.33Å; P363-F366 HydrophobicContact CG-CD2 4.5Å; P363-F366 HydrophobicContact CG-CE2 4.34Å; P363-F366 PolarHBondContact O-N 2.77Å; S364-F366 VanDerWaalsContact C-N 3.26Å; S364-F366 PolarHBondContact O-N 3.23Å; F366-G368 PolarHBondContact O-N 2.98Å; F366-L374 HydrophobicContact CD1-CD1 3.78Å; F366-L374 HydrophobicContact CD1-CD2 4.29Å; F366-L374 HydrophobicContact CD1-CG 4.09Å; F366-L374 HydrophobicContact CE1-CD2 4.27Å; F366-L374 HydrophobicContact CE1-CG 4.42Å; F366-K375 VanDerWaalsContact CD1-O 3.29Å; F366-K375 WeakPolarHBondContact CD1-O 3.1Å; F366-F376 HydrophobicContact CE1-CB 4.44Å; F366-F376 AromaticContact CE1-CD1 3.85Å; F366-F376 HydrophobicContact CE1-CD1 3.85Å; F366-F376 AromaticContact CE1-CD2 3.86Å; F366-F376 HydrophobicContact CE1-CD2 3.86Å; F366-F376 AromaticContact CE1-CE1 3.96Å; F366-F376 HydrophobicContact CE1-CE1 3.96Å; F366-F376 AromaticContact CE1-CE2 3.88Å; F366-F376 HydrophobicContact CE1-CE2 3.88Å; F366-F376 AromaticContact CE1-CG 3.81Å; F366-F376 HydrophobicContact CE1-CG 3.81Å; F366-F376 AromaticContact CE1-CZ 3.96Å; F366-F376 HydrophobicContact CE1-CZ 3.96Å; F366-F376 HydrophobicContact CZ-CD1 4.1Å; F366-F376 HydrophobicContact CZ-CE1 4.1Å; F366-F376 HydrophobicContact CZ-CG 4.49Å; F366-F376 HydrophobicContact CZ-CZ 4.42Å; F366-P377 HydrophobicContact CD2-CG 4.41Å; F366-P377 HydrophobicContact CE2-CG 4.44Å; F366-Y388 AromaticContact CE1-CE1 4Å; F366-Y388 HydrophobicContact CE1-CE1 4Å; F366-Y388 HydrophobicContact CZ-CE1 4.01Å; F366-Y388 VanDerWaalsContact CZ-OH 3.29Å; F366-Y388 WeakPolarHBondContact CZ-OH 3.39Å
367P89.8Confident92.7Very high81 Ų8163 Ų6353%0.52634%0.339SS..  trans-57.6-21.1-177.7-26.633.3000114.8K375 F376P367-K375 HydrophobicContact CB-CB 4.4Å; P367-K375 WeakPolarHBondContact CD-O 3.5Å; P367-F376 WeakPolarHBondContact CG-O 2.94Å
368G85.8Confident92.2Very high26 Ų2667.5 Ų67.527%0.26837%0.365SS..EExtended strand (participates in β ladder)trans145.5175.1175.800000112.4F366 K375F366-G368 PolarHBondContact O-N 2.98Å; G368-K375 PolarHBondContact O-N 3.5Å; G368-K375 VanDerWaalsContact O-N 3.08Å
369H89.8Confident91.8Very high104 Ų10468.3 Ų68.348%0.48137%0.365SS..EExtended strand (participates in β ladder)trans-145.2160174.251.3-79.1000109.1W355 L373 L374W355-H369 AromaticContact CD1-CD2 3.4Å; W355-H369 VanDerWaalsContact CD1-CD2 3.4Å; W355-H369 AromaticContact CD1-CG 3.8Å; W355-H369 HydrophobicContact CG-CB 4.46Å; H369-L373 VanDerWaalsContact CA-O 3.26Å; H369-L373 WeakPolarHBondContact CA-O 3.14Å; H369-L373 WeakPolarHBondContact CB-O 3.34Å; H369-L374 HydrophobicContact CB-CB 4.38Å; H369-L374 HydrophobicContact CB-CD1 3.72Å
370N89.5Confident91.6Very high36 Ų3665.4 Ų65.419%0.19333%0.334CS..  trans-124.1-169.5163.765.920.5000108.8E255 W355 Y372 L373E255-N370 WeakPolarHBondContact OE2-CB 3.45Å; E255-N370 VanDerWaalsContact OE2-CG 3.27Å; E255-N370 PolarHBondContact OE2-ND2 2.98Å; W355-N370 PolarHBondContact NE1-O 2.89Å; N370-Y372 PolarHBondContact O-N 2.7Å; N370-Y372 VanDerWaalsContact O-N 3.12Å; N370-Y372 PolarHBondContact OD1-N 3.37Å; N370-L373 PolarHBondContact N-O 2.68Å; N370-L373 WeakPolarHBondContact ND2-CD2 3.46Å; N370-L373 WeakPolarHBondContact OD1-CG 3.28Å; N370-L373 PolarHBondContact OD1-N 3.11Å; N370-L373 PolarHBondContact OD1-O 3.18Å
371D92.2Very high91.4Very high61 Ų6163.9 Ų63.933%0.32632%0.324SS..SBendtrans-62.6-19.5-177.1-61.4-18.8000113.3Y344 V353Y344-D371 PolarHBondContact OH-O 3.06Å; Y344-D371 VanDerWaalsContact OH-O 3.1Å; V353-D371 HydrophobicContact CB-CB 4.46Å; V353-D371 HydrophobicContact CG2-CB 3.97Å
372Y93.5Very high91.2Very high20 Ų2055.4 Ų55.48%0.07829%0.292CS..SBendtrans-120.1-20.4-171.2-56-80.6000114.3Y267 K268 M341 T342 Y344 N370Y267-Y372 AromaticContact CD1-CD1 3.57Å; Y267-Y372 HydrophobicContact CD1-CD1 3.57Å; Y267-Y372 HydrophobicContact CD1-CD2 4.1Å; Y267-Y372 HydrophobicContact CD1-CE1 4.29Å; Y267-Y372 AromaticContact CD1-CG 3.45Å; Y267-Y372 HydrophobicContact CD1-CG 3.45Å; Y267-Y372 VanDerWaalsContact CD1-CG 3.45Å; Y267-Y372 HydrophobicContact CE1-CD1 4.19Å; Y267-Y372 HydrophobicContact CE1-CG 4.14Å; Y267-Y372 HydrophobicContact CG-CD1 4.36Å; Y267-Y372 HydrophobicContact CG-CD2 4.07Å; Y267-Y372 AromaticContact CG-CG 3.84Å; Y267-Y372 HydrophobicContact CG-CG 3.84Å; K268-Y372 HydrophobicContact CB-CE2 4.18Å; M341-Y372 WeakPolarHBondContact CA-O 3Å; T342-Y372 PolarHBondContact N-O 2.61Å; T342-Y372 PolarHBondContact OG1-O 2.75Å; Y344-Y372 HydrophobicContact CD1-CD1 4.2Å; Y344-Y372 HydrophobicContact CD1-CE1 4.35Å; Y344-Y372 AromaticContact CE1-CD1 3.69Å; Y344-Y372 HydrophobicContact CE1-CD1 3.69Å; Y344-Y372 AromaticContact CE1-CE1 3.87Å; Y344-Y372 HydrophobicContact CE1-CE1 3.87Å; Y344-Y372 HydrophobicContact CE2-CE1 4.11Å; Y344-Y372 AromaticContact CZ-CD1 4Å; Y344-Y372 AromaticContact CZ-CE1 3.73Å; N370-Y372 PolarHBondContact O-N 2.7Å; N370-Y372 VanDerWaalsContact O-N 3.12Å; N370-Y372 PolarHBondContact OD1-N 3.37Å
373L93.3Very high91Very high7 Ų759.8 Ų59.84%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-146.1144.6-173.379.796.3000113.7K339 L340 M341 H369 N370 K375K339-L373 HydrophobicContact CD-CD1 4.39Å; K339-L373 HydrophobicContact CG-CD1 4.42Å; L340-L373 CarbonylContact O-C 3.5Å; L340-L373 WeakPolarHBondContact O-CA 3.28Å; L340-L373 WeakPolarHBondContact O-CB 3.33Å; M341-L373 HydrophobicContact CG-CB 4.17Å; H369-L373 VanDerWaalsContact CA-O 3.26Å; H369-L373 WeakPolarHBondContact CA-O 3.14Å; H369-L373 WeakPolarHBondContact CB-O 3.34Å; N370-L373 PolarHBondContact N-O 2.68Å; N370-L373 WeakPolarHBondContact ND2-CD2 3.46Å; N370-L373 WeakPolarHBondContact OD1-CG 3.28Å; N370-L373 PolarHBondContact OD1-N 3.11Å; N370-L373 PolarHBondContact OD1-O 3.18Å; L373-K375 HydrophobicContact CD1-CD 4.36Å; L373-K375 HydrophobicContact CD1-CG 3.48Å; L373-K375 VanDerWaalsContact CD1-CG 3.48Å
374L95Very high91.1Very high0 Ų057.6 Ų57.60%030%0.297CS..EExtended strand (participates in β ladder)trans-112.8120.5172.1174.863.6000109.3K339 L340 W355 I362 F366 H369 F376 Y388K339-L374 WeakPolarHBondContact CA-O 3.32Å; L340-L374 HydrophobicContact CB-CB 4.38Å; L340-L374 HydrophobicContact CD1-CD2 4.28Å; L340-L374 PolarHBondContact N-O 2.97Å; L340-L374 PolarHBondContact O-N 3.09Å; W355-L374 HydrophobicContact CD2-CB 4.05Å; W355-L374 HydrophobicContact CD2-CD2 4.48Å; W355-L374 HydrophobicContact CE3-CB 4.08Å; W355-L374 HydrophobicContact CE3-CD2 4.04Å; W355-L374 HydrophobicContact CH2-CB 4.03Å; W355-L374 HydrophobicContact CZ2-CB 4Å; W355-L374 HydrophobicContact CZ3-CB 4.07Å; W355-L374 HydrophobicContact CZ3-CD2 4.37Å; I362-L374 HydrophobicContact CD1-CD2 3.83Å; I362-L374 HydrophobicContact CG1-CD1 4.49Å; I362-L374 HydrophobicContact CG1-CD2 4.45Å; I362-L374 HydrophobicContact CG2-CD1 4.08Å; F366-L374 HydrophobicContact CD1-CD1 3.78Å; F366-L374 HydrophobicContact CD1-CD2 4.29Å; F366-L374 HydrophobicContact CD1-CG 4.09Å; F366-L374 HydrophobicContact CE1-CD2 4.27Å; F366-L374 HydrophobicContact CE1-CG 4.42Å; H369-L374 HydrophobicContact CB-CB 4.38Å; H369-L374 HydrophobicContact CB-CD1 3.72Å; L374-F376 HydrophobicContact CD2-CE2 4.11Å; L374-F376 HydrophobicContact CG-CE2 4.26Å; L374-Y388 HydrophobicContact CD2-CD1 3.46Å; L374-Y388 VanDerWaalsContact CD2-CD1 3.46Å; L374-Y388 HydrophobicContact CD2-CE1 3.79Å; L374-Y388 HydrophobicContact CD2-CG 4.46Å
375K92.7Very high91.5Very high100 Ų10053.2 Ų53.244%0.43527%0.267SS..EExtended strand (participates in β ladder)trans-87.1131.6176-59.9-176.9-177.4173.50109.7K339 F366 P367 G368 L373K339-K375 HydrophobicContact CG-CG 4.24Å; F366-K375 VanDerWaalsContact CD1-O 3.29Å; F366-K375 WeakPolarHBondContact CD1-O 3.1Å; P367-K375 HydrophobicContact CB-CB 4.4Å; P367-K375 WeakPolarHBondContact CD-O 3.5Å; G368-K375 PolarHBondContact O-N 3.5Å; G368-K375 VanDerWaalsContact O-N 3.08Å; L373-K375 HydrophobicContact CD1-CD 4.36Å; L373-K375 HydrophobicContact CD1-CG 3.48Å; L373-K375 VanDerWaalsContact CD1-CG 3.48Å
376F93.9Very high91.9Very high7 Ų749.7 Ų49.73%0.03125%0.252CS..PPolyproline II helixtrans-85.7158.5174-82.2-121.1000111L338 L340 F366 P367 L374 I380 H384 Y388 V405L338-F376 HydrophobicContact CB-CB 4.12Å; L338-F376 HydrophobicContact CB-CG 4.34Å; L338-F376 HydrophobicContact CD2-CB 4.48Å; L338-F376 HydrophobicContact CD2-CD1 3.82Å; L338-F376 HydrophobicContact CD2-CD2 4.15Å; L338-F376 HydrophobicContact CD2-CE1 4.05Å; L338-F376 HydrophobicContact CD2-CE2 4.42Å; L338-F376 HydrophobicContact CD2-CG 3.86Å; L338-F376 HydrophobicContact CD2-CZ 4.35Å; L338-F376 HydrophobicContact CG-CB 4.49Å; L338-F376 HydrophobicContact CG-CD2 4.22Å; L338-F376 HydrophobicContact CG-CG 4.17Å; L338-F376 WeakPolarHBondContact O-CB 3Å; L338-F376 PolarHBondContact O-N 2.96Å; L340-F376 HydrophobicContact CD1-CE2 3.62Å; L340-F376 HydrophobicContact CD1-CZ 3.92Å; L340-F376 HydrophobicContact CD2-CE2 4.32Å; L340-F376 HydrophobicContact CG-CD2 4.43Å; L340-F376 HydrophobicContact CG-CE2 3.57Å; L340-F376 HydrophobicContact CG-CZ 4.2Å; F366-F376 HydrophobicContact CE1-CB 4.44Å; F366-F376 AromaticContact CE1-CD1 3.85Å; F366-F376 HydrophobicContact CE1-CD1 3.85Å; F366-F376 AromaticContact CE1-CD2 3.86Å; F366-F376 HydrophobicContact CE1-CD2 3.86Å; F366-F376 AromaticContact CE1-CE1 3.96Å; F366-F376 HydrophobicContact CE1-CE1 3.96Å; F366-F376 AromaticContact CE1-CE2 3.88Å; F366-F376 HydrophobicContact CE1-CE2 3.88Å; F366-F376 AromaticContact CE1-CG 3.81Å; F366-F376 HydrophobicContact CE1-CG 3.81Å; F366-F376 AromaticContact CE1-CZ 3.96Å; F366-F376 HydrophobicContact CE1-CZ 3.96Å; F366-F376 HydrophobicContact CZ-CD1 4.1Å; F366-F376 HydrophobicContact CZ-CE1 4.1Å; F366-F376 HydrophobicContact CZ-CG 4.49Å; F366-F376 HydrophobicContact CZ-CZ 4.42Å; P367-F376 WeakPolarHBondContact CG-O 2.94Å; L374-F376 HydrophobicContact CD2-CE2 4.11Å; L374-F376 HydrophobicContact CG-CE2 4.26Å; F376-I380 HydrophobicContact CB-CD1 3.59Å; F376-I380 HydrophobicContact CD1-CD1 3.7Å; F376-I380 HydrophobicContact CG-CD1 4.08Å; F376-H384 HydrophobicContact CD1-CB 4.3Å; F376-H384 HydrophobicContact CE1-CB 4.17Å; F376-Y388 HydrophobicContact CE1-CE1 4.48Å; F376-Y388 HydrophobicContact CE1-CE2 4.22Å; F376-Y388 AromaticContact CE1-CZ 3.86Å; F376-Y388 HydrophobicContact CE2-CE1 4.39Å; F376-Y388 HydrophobicContact CZ-CD1 4.34Å; F376-Y388 HydrophobicContact CZ-CD2 4.28Å; F376-Y388 AromaticContact CZ-CE1 3.81Å; F376-Y388 HydrophobicContact CZ-CE1 3.81Å; F376-Y388 AromaticContact CZ-CE2 3.76Å; F376-Y388 HydrophobicContact CZ-CE2 3.76Å; F376-Y388 AromaticContact CZ-CZ 3.48Å; F376-Y388 VanDerWaalsContact CZ-CZ 3.48Å; F376-V405 HydrophobicContact CE1-CG1 4.18Å; F376-V405 HydrophobicContact CZ-CG1 4.33Å; F376-V405 HydrophobicContact CZ-CG2 4.19Å
377P92.6Very high92.1Very high17 Ų1750.9 Ų50.911%0.1126%0.261CS..PPolyproline II helixtrans-57.1150.6171.4-23.634.5000112.4F366 F379F366-P377 HydrophobicContact CD2-CG 4.41Å; F366-P377 HydrophobicContact CE2-CG 4.44Å; P377-F379 PolarHBondContact O-N 2.57Å
378D87.8Confident92.5Very high124 Ų12447 Ų4766%0.66324%0.236SC*.SBendtrans-59.4-32.7-179.4-65.6-31.5000112.4P334 Q335P334-D378 CarbonylContact C-O 3.51Å; P334-D378 WeakPolarHBondContact CA-O 3.43Å; Q335-D378 PolarHBondContact N-O 3.17Å
379F89.9Confident93.1Very high101 Ų10147 Ų4744%0.44323%0.229SC..EExtended strand (participates in β ladder)trans-102.7111.6172.1-162.3-75.6000110.6P334 P377 R381 H384P334-F379 HydrophobicContact CB-CD2 3.74Å; P334-F379 HydrophobicContact CB-CE2 4.21Å; P334-F379 HydrophobicContact CG-CD2 4.36Å; P334-F379 HydrophobicContact CG-CE2 4.34Å; P377-F379 PolarHBondContact O-N 2.57Å; F379-R381 HydrophobicContact CD1-CG 3.56Å; F379-R381 HydrophobicContact CE1-CG 3.77Å; F379-H384 PolarHBondContact O-CE1 2.81Å
380I90.4Very high93.5Very high0 Ų042 Ų420%021%0.206CC..EExtended strand (participates in β ladder)trans-83.5133.9175.5-59.5-64000109.4V330 I332 G333 T336 F376 V407V330-I380 HydrophobicContact CG1-CG2 4.05Å; I332-I380 VanDerWaalsContact CG1-O 3.31Å; I332-I380 WeakPolarHBondContact CG1-O 3.39Å; G333-I380 PolarHBondContact N-O 2.72Å; G333-I380 VanDerWaalsContact N-O 3.13Å; G333-I380 PolarHBondContact O-N 3.23Å; T336-I380 HydrophobicContact CG2-CB 4.11Å; T336-I380 HydrophobicContact CG2-CG1 3.49Å; T336-I380 VanDerWaalsContact CG2-CG1 3.49Å; T336-I380 WeakPolarHBondContact OG1-CG1 3.2Å; F376-I380 HydrophobicContact CB-CD1 3.59Å; F376-I380 HydrophobicContact CD1-CD1 3.7Å; F376-I380 HydrophobicContact CG-CD1 4.08Å; I380-V407 HydrophobicContact CG2-CB 4.25Å; I380-V407 HydrophobicContact CG2-CG1 3.57Å; I380-V407 HydrophobicContact CG2-CG2 3.62Å
381R91.4Very high93.9Very high134 Ų13442.1 Ų42.151%0.50621%0.207SC..  trans-128.7164.9177.2-57.3179.9170.7179.8-0.9110.1F379 E383 H384F379-R381 HydrophobicContact CD1-CG 3.56Å; F379-R381 HydrophobicContact CE1-CG 3.77Å; R381-E383 HydrophobicContact CB-CG 4.43Å; R381-E383 WeakPolarHBondContact CB-OE1 3.41Å; R381-E383 WeakPolarHBondContact CB-OE2 3.4Å; R381-E383 WeakPolarHBondContact CD-OE1 3.49Å; R381-E383 IonicContact NH1-OE1 2.7Å; R381-E383 PolarHBondContact O-N 2.83Å; R381-H384 PolarHBondContact N-ND1 3.5Å; R381-H384 VanDerWaalsContact N-ND1 3.16Å; R381-H384 WeakPolarHBondContact O-CB 3.26Å; R381-H384 PolarHBondContact O-N 3.13Å
382R89.7Confident94.2Very high41 Ų4139.2 Ų39.216%0.15519%0.191CC..G310 helixtrans-59.1-33.6-175.2-65.8-164.3177.1116.65.9113.1I332 H384 S385 P410 E412 D436 S437I332-R382 HydrophobicContact CD1-CG 3.9Å; R382-H384 PolarHBondContact O-N 2.93Å; R382-H384 VanDerWaalsContact O-N 3.17Å; R382-S385 VanDerWaalsContact O-CB 3.28Å; R382-S385 WeakPolarHBondContact O-CB 3.22Å; R382-S385 PolarHBondContact O-N 2.93Å; R382-S385 PolarHBondContact O-OG 3.01Å; R382-P410 PolarHBondContact NH2-O 3.2Å; R382-E412 IonicContact CZ-OE2 2.92Å; R382-E412 VanDerWaalsContact CZ-OE2 3.26Å; R382-E412 IonicContact NH1-OE2 2.57Å; R382-E412 PolarHBondContact NH1-OE2 3.47Å; R382-E412 IonicContact NH2-OE2 3.56Å; R382-D436 IonicContact CZ-OD2 3.25Å; R382-D436 VanDerWaalsContact NH1-CG 3.27Å; R382-D436 IonicContact NH1-OD2 3.92Å; R382-D436 PolarHBondContact NH1-OD2 3.34Å; R382-S437 WeakPolarHBondContact CD-OG 3.43Å; R382-S437 VanDerWaalsContact CZ-CB 3.45Å; R382-S437 PolarHBondContact NE-OG 3.29Å; R382-S437 PolarHBondContact NH1-OG 3.16Å
383E91.5Very high94.3Very high105 Ų10541.7 Ų41.749%0.49120%0.203SC..G310 helixtrans-65.4-15.3178.468.1-91.1-154.400114.5K357 R381 S385K357-E383 PolarHBondContact NZ-O 2.89Å; R381-E383 HydrophobicContact CB-CG 4.43Å; R381-E383 WeakPolarHBondContact CB-OE1 3.41Å; R381-E383 WeakPolarHBondContact CB-OE2 3.4Å; R381-E383 WeakPolarHBondContact CD-OE1 3.49Å; R381-E383 IonicContact NH1-OE1 2.7Å; R381-E383 PolarHBondContact O-N 2.83Å; E383-S385 PolarHBondContact O-N 3.22Å
384H94.7Very high94.2Very high8 Ų842.2 Ų42.24%0.03721%0.206CC..G310 helixtrans-76.9-5.9171.7-57.9145.6000112.7F376 F379 R381 R382 Y388 V407F376-H384 HydrophobicContact CD1-CB 4.3Å; F376-H384 HydrophobicContact CE1-CB 4.17Å; F379-H384 PolarHBondContact O-CE1 2.81Å; R381-H384 PolarHBondContact N-ND1 3.5Å; R381-H384 VanDerWaalsContact N-ND1 3.16Å; R381-H384 WeakPolarHBondContact O-CB 3.26Å; R381-H384 PolarHBondContact O-N 3.13Å; R382-H384 PolarHBondContact O-N 2.93Å; R382-H384 VanDerWaalsContact O-N 3.17Å; H384-Y388 WeakPolarHBondContact O-CE2 3.45Å; H384-Y388 PolarHBondContact O-OH 3.15Å; H384-V407 HydrophobicContact CB-CG2 4.16Å
385S95.4Very high93.8Very high39 Ų3945.7 Ų45.727%0.27324%0.242SC..  trans-64150.3166.7-53.90000110.4K357 R382 E383 V405 V407K357-S385 WeakPolarHBondContact CE-O 3.27Å; K357-S385 PolarHBondContact NZ-O 3.2Å; R382-S385 VanDerWaalsContact O-CB 3.28Å; R382-S385 WeakPolarHBondContact O-CB 3.22Å; R382-S385 PolarHBondContact O-N 2.93Å; R382-S385 PolarHBondContact O-OG 3.01Å; E383-S385 PolarHBondContact O-N 3.22Å; S385-V405 WeakPolarHBondContact CA-O 3.33Å; S385-V407 WeakPolarHBondContact OG-CB 3.43Å; S385-V407 PolarHBondContact OG-N 2.96Å
386G97.3Very high93.6Very high16 Ų1649 Ų4917%0.16525%0.253CS..EExtended strand (participates in β ladder)trans150.2-176.1177.500000113.2D358 V405D358-G386 WeakPolarHBondContact OD1-CA 3.28Å; G386-V405 PolarHBondContact N-O 2.82Å; G386-V405 PolarHBondContact O-N 3.12Å
387T98.5Very high93.6Very high42 Ų4252.3 Ų52.326%0.25827%0.271SS..EExtended strand (participates in β ladder)trans-99.3113.1177.5-57.10000109.4D358 Q402 F403 L404D358-T387 PolarHBondContact N-O 2.92Å; D358-T387 PolarHBondContact OD1-N 2.85Å; T387-Q402 HydrophobicContact CG2-CG 3.73Å; T387-F403 WeakPolarHBondContact CA-O 3.39Å; T387-L404 HydrophobicContact CG2-CD2 3.92Å; T387-L404 WeakPolarHBondContact OG1-CD2 3.27Å
388Y98.3Very high93.7Very high0 Ų057.6 Ų57.60%029%0.294CS..EExtended strand (participates in β ladder)trans-100.8128.1177.1-66.9-104.1000109.2L340 T356 K357 I362 F366 L374 F376 H384 Q402 F403 V405L340-Y388 HydrophobicContact CD1-CD1 4.21Å; L340-Y388 HydrophobicContact CD1-CD2 4.23Å; L340-Y388 HydrophobicContact CD1-CG 3.79Å; T356-Y388 CarbonylContact O-C 3.57Å; T356-Y388 VanDerWaalsContact O-CA 3.3Å; T356-Y388 WeakPolarHBondContact O-CA 3.29Å; K357-Y388 HydrophobicContact CB-CD1 3.99Å; K357-Y388 HydrophobicContact CB-CE1 3.84Å; K357-Y388 HydrophobicContact CD-CE1 3.84Å; K357-Y388 HydrophobicContact CD-CE2 4.3Å; K357-Y388 WeakPolarHBondContact CD-OH 3.1Å; K357-Y388 WeakPolarHBondContact CE-OH 3.19Å; K357-Y388 HydrophobicContact CG-CD1 4.2Å; K357-Y388 HydrophobicContact CG-CE1 3.78Å; K357-Y388 HydrophobicContact CG-CE2 4.11Å; I362-Y388 HydrophobicContact CD1-CD1 3.8Å; I362-Y388 HydrophobicContact CD1-CE1 4.08Å; F366-Y388 AromaticContact CE1-CE1 4Å; F366-Y388 HydrophobicContact CE1-CE1 4Å; F366-Y388 HydrophobicContact CZ-CE1 4.01Å; F366-Y388 VanDerWaalsContact CZ-OH 3.29Å; F366-Y388 WeakPolarHBondContact CZ-OH 3.39Å; L374-Y388 HydrophobicContact CD2-CD1 3.46Å; L374-Y388 VanDerWaalsContact CD2-CD1 3.46Å; L374-Y388 HydrophobicContact CD2-CE1 3.79Å; L374-Y388 HydrophobicContact CD2-CG 4.46Å; F376-Y388 HydrophobicContact CE1-CE1 4.48Å; F376-Y388 HydrophobicContact CE1-CE2 4.22Å; F376-Y388 AromaticContact CE1-CZ 3.86Å; F376-Y388 HydrophobicContact CE2-CE1 4.39Å; F376-Y388 HydrophobicContact CZ-CD1 4.34Å; F376-Y388 HydrophobicContact CZ-CD2 4.28Å; F376-Y388 AromaticContact CZ-CE1 3.81Å; F376-Y388 HydrophobicContact CZ-CE1 3.81Å; F376-Y388 AromaticContact CZ-CE2 3.76Å; F376-Y388 HydrophobicContact CZ-CE2 3.76Å; F376-Y388 AromaticContact CZ-CZ 3.48Å; F376-Y388 VanDerWaalsContact CZ-CZ 3.48Å; H384-Y388 WeakPolarHBondContact O-CE2 3.45Å; H384-Y388 PolarHBondContact O-OH 3.15Å; Y388-Q402 CarbonylContact O-C 3.59Å; Y388-Q402 WeakPolarHBondContact O-CA 3.34Å; Y388-F403 PolarHBondContact N-O 2.9Å; Y388-F403 PolarHBondContact O-N 2.88Å; Y388-V405 HydrophobicContact CD2-CB 4Å; Y388-V405 HydrophobicContact CD2-CG2 3.54Å; Y388-V405 HydrophobicContact CE2-CB 3.93Å; Y388-V405 HydrophobicContact CE2-CG2 3.87Å; Y388-V405 HydrophobicContact CG-CG2 4.46Å
389N98.1Very high94.2Very high24 Ų2452.7 Ų52.713%0.12827%0.268CS..EExtended strand (participates in β ladder)trans-118.6138.1177.8-60-50.2000110.7W355 T356 F401 Q402W355-N389 CarbonylContact C-O 3.55Å; W355-N389 WeakPolarHBondContact CA-O 3.22Å; T356-N389 PolarHBondContact N-O 2.67Å; T356-N389 PolarHBondContact O-N 2.77Å; N389-F401 CarbonylContact C-O 3.57Å; N389-F401 WeakPolarHBondContact CA-O 3.46Å; N389-Q402 WeakPolarHBondContact OD1-CB 3.32Å; N389-Q402 VanDerWaalsContact OD1-CG 3.32Å; N389-Q402 WeakPolarHBondContact OD1-CG 3.39Å; N389-Q402 PolarHBondContact OD1-NE2 2.81Å
390L97.9Very high94.6Very high0 Ų051.5 Ų51.50%027%0.267CS..EExtended strand (participates in β ladder)trans-110110.4167.1-179.563.4000108.8T342 Y344 V353 W355 V392 N400 F401T342-L390 HydrophobicContact CG2-CD2 3.68Å; T342-L390 VanDerWaalsContact OG1-CD2 3.24Å; T342-L390 WeakPolarHBondContact OG1-CD2 3.28Å; Y344-L390 HydrophobicContact CE1-CD2 4.25Å; V353-L390 HydrophobicContact CG1-CD1 3.13Å; V353-L390 HydrophobicContact CG1-CD2 4.41Å; V353-L390 HydrophobicContact CG1-CG 4.04Å; W355-L390 HydrophobicContact CD2-CB 4.16Å; W355-L390 HydrophobicContact CD2-CD1 3.59Å; W355-L390 HydrophobicContact CD2-CG 4.42Å; W355-L390 HydrophobicContact CE3-CB 3.98Å; W355-L390 HydrophobicContact CE3-CD1 4.27Å; W355-L390 HydrophobicContact CG-CD1 3.75Å; W355-L390 HydrophobicContact CH2-CB 3.86Å; W355-L390 HydrophobicContact CH2-CD1 4.49Å; W355-L390 HydrophobicContact CH2-CD2 4.23Å; W355-L390 HydrophobicContact CH2-CG 4.41Å; W355-L390 HydrophobicContact CZ2-CB 4.02Å; W355-L390 HydrophobicContact CZ2-CD1 3.85Å; W355-L390 HydrophobicContact CZ2-CD2 3.77Å; W355-L390 HydrophobicContact CZ2-CG 4.08Å; W355-L390 HydrophobicContact CZ3-CB 3.84Å; W355-L390 VanDerWaalsContact NE1-CD1 3.33Å; L390-V392 HydrophobicContact CD2-CG2 4.02Å; L390-V392 HydrophobicContact CG-CG2 3.97Å; L390-N400 WeakPolarHBondContact O-CA 3.43Å; L390-N400 PolarHBondContact O-OD1 3.01Å; L390-F401 HydrophobicContact CB-CB 4.2Å; L390-F401 HydrophobicContact CD2-CD2 4.34Å; L390-F401 PolarHBondContact N-O 3.5Å; L390-F401 PolarHBondContact O-N 3.35Å
391L97.9Very high94.9Very high39 Ų3951.6 Ų51.620%0.20427%0.267CS..EExtended strand (participates in β ladder)trans-90.4121171.9-170.260.4000109.2V353 K354 E393 Q398 N400V353-L391 WeakPolarHBondContact CA-O 3.44Å; K354-L391 HydrophobicContact CB-CB 4.42Å; K354-L391 PolarHBondContact N-O 2.96Å; K354-L391 PolarHBondContact O-N 3.45Å; L391-E393 VanDerWaalsContact CD2-OE1 3.27Å; L391-E393 WeakPolarHBondContact CD2-OE1 3.11Å; L391-E393 HydrophobicContact CG-CG 4.18Å; L391-Q398 HydrophobicContact CD1-CG 3.61Å; L391-Q398 HydrophobicContact CG-CG 4.46Å; L391-N400 HydrophobicContact CD1-CB 4.05Å
392V97.5Very high95.3Very high0 Ų048.1 Ų48.10%026%0.256CS..EExtended strand (participates in β ladder)trans-113.9117.3174.5-173.80000107.1I318 Y344 T351 L390 Q398 V399 F401I318-V392 HydrophobicContact CD1-CB 4.29Å; I318-V392 HydrophobicContact CD1-CG1 3.86Å; I318-V392 VanDerWaalsContact CD1-O 3.3Å; I318-V392 WeakPolarHBondContact CD1-O 3.44Å; Y344-V392 HydrophobicContact CD1-CG2 4.21Å; Y344-V392 HydrophobicContact CD2-CG1 4.03Å; Y344-V392 HydrophobicContact CE1-CG1 4.48Å; Y344-V392 HydrophobicContact CE1-CG2 3.71Å; Y344-V392 HydrophobicContact CE2-CG1 3.5Å; Y344-V392 HydrophobicContact CE2-CG2 4.24Å; T351-V392 HydrophobicContact CG2-CG1 3.69Å; L390-V392 HydrophobicContact CD2-CG2 4.02Å; L390-V392 HydrophobicContact CG-CG2 3.97Å; V392-Q398 CarbonylContact O-C 3.54Å; V392-Q398 WeakPolarHBondContact O-CA 3.28Å; V392-V399 PolarHBondContact N-O 2.88Å; V392-V399 PolarHBondContact O-N 2.84Å; V392-F401 HydrophobicContact CG2-CD2 4.24Å; V392-F401 HydrophobicContact CG2-CE2 4.07Å
393E96.5Very high95.7Very high72 Ų7246.2 Ų46.234%0.33625%0.249SC..EExtended strand (participates in β ladder)trans-118.8134.8178-76169.717900108.8T351 I352 L391 Q398T351-E393 CarbonylContact C-O 3.53Å; T351-E393 WeakPolarHBondContact CA-O 2.98Å; I352-E393 PolarHBondContact N-O 2.97Å; I352-E393 PolarHBondContact O-N 2.85Å; L391-E393 VanDerWaalsContact CD2-OE1 3.27Å; L391-E393 WeakPolarHBondContact CD2-OE1 3.11Å; L391-E393 HydrophobicContact CG-CG 4.18Å; E393-Q398 HydrophobicContact CG-CB 4.02Å; E393-Q398 HydrophobicContact CG-CG 3.6Å; E393-Q398 PolarHBondContact OE1-NE2 2.85Å
394N90.4Very high96Very high18 Ų1844.1 Ų44.110%0.09624%0.241CC..  trans-122.5175.3159.678.615.4000108.7S316 I318 S346 H350 Y396 D397S316-N394 PolarHBondContact O-ND2 2.8Å; I318-N394 HydrophobicContact CD1-CB 4.43Å; I318-N394 HydrophobicContact CG1-CB 4.28Å; I318-N394 VanDerWaalsContact CG1-ND2 3.34Å; I318-N394 WeakPolarHBondContact CG1-ND2 3.37Å; S346-N394 PolarHBondContact OG-ND2 3.09Å; H350-N394 WeakPolarHBondContact O-CA 3.17Å; N394-Y396 PolarHBondContact O-N 2.88Å; N394-Y396 WeakPolarHBondContact OD1-CA 3.5Å; N394-Y396 WeakPolarHBondContact OD1-CB 2.95Å; N394-Y396 PolarHBondContact OD1-N 3.36Å; N394-D397 PolarHBondContact N-O 3.18Å; N394-D397 PolarHBondContact OD1-N 2.91Å; N394-D397 PolarHBondContact OD1-O 2.85Å
395G86.7Confident96.1Very high72 Ų7244 Ų4474%0.74224%0.241SC*.SBendtrans-61.7-5.7-17800000115.8
396Y89.7Confident96Very high171 Ų17144.9 Ų44.967%0.67125%0.247SC*.SBendtrans-117.6-45.7-175.9-59.7-85.4000112.6S316 N394S316-Y396 WeakPolarHBondContact O-CD2 3.07Å; N394-Y396 PolarHBondContact O-N 2.88Å; N394-Y396 WeakPolarHBondContact OD1-CA 3.5Å; N394-Y396 WeakPolarHBondContact OD1-CB 2.95Å; N394-Y396 PolarHBondContact OD1-N 3.36Å
397D93.5Very high95.7Very high76 Ų7644.7 Ų44.741%0.40624%0.243SC..  trans-130.3157.3-171.9-59.4-39.5000111.7G317 I318 N394G317-D397 WeakPolarHBondContact CA-OD2 3.25Å; I318-D397 HydrophobicContact CB-CB 4.4Å; I318-D397 HydrophobicContact CD1-CB 4.19Å; I318-D397 WeakPolarHBondContact CD1-O 3.23Å; I318-D397 HydrophobicContact CG1-CB 4.12Å; I318-D397 PolarHBondContact N-OD2 2.78Å; N394-D397 PolarHBondContact N-O 3.18Å; N394-D397 PolarHBondContact OD1-N 2.91Å; N394-D397 PolarHBondContact OD1-O 2.85Å
398Q95.7Very high95.4Very high127 Ų12743.5 Ų43.559%0.59324%0.236SC*.EExtended strand (participates in β ladder)trans-130.1129.4172.4177.4-177.33600108.9L391 V392 E393L391-Q398 HydrophobicContact CD1-CG 3.61Å; L391-Q398 HydrophobicContact CG-CG 4.46Å; V392-Q398 CarbonylContact O-C 3.54Å; V392-Q398 WeakPolarHBondContact O-CA 3.28Å; E393-Q398 HydrophobicContact CG-CB 4.02Å; E393-Q398 HydrophobicContact CG-CG 3.6Å; E393-Q398 PolarHBondContact OE1-NE2 2.85Å
399V97.3Very high95Very high21 Ų2143.7 Ų43.713%0.12724%0.237CC..EExtended strand (participates in β ladder)trans-125.8134178.1177.10000109.4I318 V320 L324 V392 F401I318-V399 HydrophobicContact CB-CG2 3.91Å; I318-V399 HydrophobicContact CD1-CB 4.39Å; I318-V399 HydrophobicContact CD1-CG2 4.07Å; I318-V399 HydrophobicContact CG2-CB 4.3Å; I318-V399 HydrophobicContact CG2-CG2 3.76Å; V320-V399 HydrophobicContact CG2-CB 4.46Å; V320-V399 HydrophobicContact CG2-CG1 3.76Å; V320-V399 HydrophobicContact CG2-CG2 3.94Å; L324-V399 HydrophobicContact CD2-CG1 3.53Å; V392-V399 PolarHBondContact N-O 2.88Å; V392-V399 PolarHBondContact O-N 2.84Å; V399-F401 HydrophobicContact CB-CE2 4.47Å; V399-F401 HydrophobicContact CG1-CD2 4.09Å; V399-F401 HydrophobicContact CG1-CE2 3.62Å; V399-F401 HydrophobicContact CG1-CZ 3.89Å
400N97.4Very high94.8Very high77 Ų7743.2 Ų43.241%0.41224%0.235SC..EExtended strand (participates in β ladder)trans-117.8112.8177.3-171.732.3000110.5L390 L391L390-N400 WeakPolarHBondContact O-CA 3.43Å; L390-N400 PolarHBondContact O-OD1 3.01Å; L391-N400 HydrophobicContact CD1-CB 4.05Å
401F98.4Very high94.6Very high1 Ų143.2 Ų43.20%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-89.6136.9171.5-61.2-93.1000109.9V320 S322 L324 T342 Y344 N389 L390 V392 V399 F403V320-F401 HydrophobicContact CG1-CE1 3.78Å; V320-F401 HydrophobicContact CG1-CZ 3.93Å; V320-F401 HydrophobicContact CG2-CZ 4.27Å; S322-F401 WeakPolarHBondContact OG-CE1 2.83Å; L324-F401 HydrophobicContact CD2-CD1 4.05Å; L324-F401 HydrophobicContact CD2-CE1 3.95Å; L324-F401 HydrophobicContact CD2-CZ 4.39Å; L324-F401 CarbonylContact O-C 3.6Å; L324-F401 WeakPolarHBondContact O-CA 2.99Å; T342-F401 HydrophobicContact CG2-CB 3.72Å; T342-F401 HydrophobicContact CG2-CD1 3.83Å; T342-F401 HydrophobicContact CG2-CD2 3.89Å; T342-F401 HydrophobicContact CG2-CE1 4.42Å; T342-F401 HydrophobicContact CG2-CE2 4.48Å; T342-F401 HydrophobicContact CG2-CG 3.54Å; Y344-F401 AromaticContact CD1-CE2 3.96Å; Y344-F401 HydrophobicContact CD1-CE2 3.96Å; Y344-F401 HydrophobicContact CD1-CZ 4.26Å; Y344-F401 HydrophobicContact CG-CE2 4.36Å; Y344-F401 HydrophobicContact CG-CZ 4.47Å; N389-F401 CarbonylContact C-O 3.57Å; N389-F401 WeakPolarHBondContact CA-O 3.46Å; L390-F401 HydrophobicContact CB-CB 4.2Å; L390-F401 HydrophobicContact CD2-CD2 4.34Å; L390-F401 PolarHBondContact N-O 3.5Å; L390-F401 PolarHBondContact O-N 3.35Å; V392-F401 HydrophobicContact CG2-CD2 4.24Å; V392-F401 HydrophobicContact CG2-CE2 4.07Å; V399-F401 HydrophobicContact CB-CE2 4.47Å; V399-F401 HydrophobicContact CG1-CD2 4.09Å; V399-F401 HydrophobicContact CG1-CE2 3.62Å; V399-F401 HydrophobicContact CG1-CZ 3.89Å; F401-F403 HydrophobicContact CB-CE2 4.2Å
402Q98.5Very high94.3Very high61 Ų6144.2 Ų44.229%0.28524%0.239SC..EExtended strand (participates in β ladder)trans-122.1131.6-178.5179.2170.592.400111.4L324 T325 Q326 T387 Y388 N389 L404L324-Q402 PolarHBondContact O-N 3.44Å; T325-Q402 CarbonylContact C-O 3.5Å; T325-Q402 VanDerWaalsContact CA-O 3.3Å; T325-Q402 WeakPolarHBondContact CA-O 3.46Å; Q326-Q402 PolarHBondContact N-O 2.97Å; T387-Q402 HydrophobicContact CG2-CG 3.73Å; Y388-Q402 CarbonylContact O-C 3.59Å; Y388-Q402 WeakPolarHBondContact O-CA 3.34Å; N389-Q402 WeakPolarHBondContact OD1-CB 3.32Å; N389-Q402 VanDerWaalsContact OD1-CG 3.32Å; N389-Q402 WeakPolarHBondContact OD1-CG 3.39Å; N389-Q402 PolarHBondContact OD1-NE2 2.81Å; Q402-L404 HydrophobicContact CG-CD2 4.3Å
403F98.1Very high94.2Very high1 Ų145.4 Ų45.40%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-119.7117.7174.3-56.9-95.1000109.5Q326 I328 L340 M341 T342 W355 T387 Y388 F401 V405Q326-F403 HydrophobicContact CB-CD1 3.83Å; Q326-F403 HydrophobicContact CB-CE1 4.18Å; Q326-F403 HydrophobicContact CG-CD1 4.47Å; Q326-F403 HydrophobicContact CG-CE1 4.33Å; Q326-F403 CarbonylContact O-C 3.53Å; Q326-F403 WeakPolarHBondContact O-CA 3.41Å; I328-F403 HydrophobicContact CG1-CD1 4.23Å; L340-F403 HydrophobicContact CB-CD1 4.07Å; L340-F403 HydrophobicContact CB-CD2 4.34Å; L340-F403 HydrophobicContact CB-CE1 4.05Å; L340-F403 HydrophobicContact CB-CE2 4.35Å; L340-F403 HydrophobicContact CB-CG 4.21Å; L340-F403 HydrophobicContact CB-CZ 4.2Å; L340-F403 HydrophobicContact CD1-CB 3.82Å; L340-F403 HydrophobicContact CD1-CD1 4.4Å; L340-F403 HydrophobicContact CD1-CD2 4.16Å; L340-F403 HydrophobicContact CD1-CG 3.89Å; L340-F403 HydrophobicContact CD2-CB 4.2Å; L340-F403 HydrophobicContact CD2-CD1 3.89Å; L340-F403 HydrophobicContact CD2-CG 4.16Å; L340-F403 HydrophobicContact CG-CD1 4.33Å; L340-F403 HydrophobicContact CG-CG 4.31Å; M341-F403 WeakPolarHBondContact O-CZ 3.29Å; T342-F403 HydrophobicContact CG2-CE2 3.76Å; T342-F403 HydrophobicContact CG2-CZ 3.49Å; T342-F403 VanDerWaalsContact CG2-CZ 3.49Å; W355-F403 HydrophobicContact CH2-CD2 4.34Å; W355-F403 AromaticContact CH2-CE2 3.72Å; W355-F403 HydrophobicContact CH2-CE2 3.72Å; W355-F403 HydrophobicContact CH2-CZ 4.37Å; W355-F403 HydrophobicContact CZ3-CD2 4.03Å; W355-F403 AromaticContact CZ3-CE2 3.84Å; W355-F403 HydrophobicContact CZ3-CE2 3.84Å; T387-F403 WeakPolarHBondContact CA-O 3.39Å; Y388-F403 PolarHBondContact N-O 2.9Å; Y388-F403 PolarHBondContact O-N 2.88Å; F401-F403 HydrophobicContact CB-CE2 4.2Å; F403-V405 HydrophobicContact CB-CG2 4.28Å; F403-V405 PolarHBondContact O-N 2.82Å
404L98Very high94.1Very high62 Ų6246.5 Ų46.533%0.32525%0.254SS..EExtended strand (participates in β ladder)trans-91.596.4173.1-59.4175.3000107.9T325 Q326 R327 I328 T387 Q402T325-L404 HydrophobicContact CG2-CD1 4.48Å; Q326-L404 PolarHBondContact O-N 2.75Å; R327-L404 HydrophobicContact CG-CB 4.37Å; R327-L404 HydrophobicContact CG-CD1 4.21Å; I328-L404 PolarHBondContact N-O 3.45Å; T387-L404 HydrophobicContact CG2-CD2 3.92Å; T387-L404 WeakPolarHBondContact OG1-CD2 3.27Å; Q402-L404 HydrophobicContact CG-CD2 4.3Å
405V96.4Very high94.3Very high6 Ų653.9 Ų53.94%0.03628%0.28CS..EExtended strand (participates in β ladder)trans-93.3121.8-176.5-177.60000109.9I328 V330 L340 F376 S385 G386 Y388 F403I328-V405 HydrophobicContact CB-CG2 4.21Å; I328-V405 CarbonylContact O-C 3.36Å; I328-V405 WeakPolarHBondContact O-CA 3.46Å; V330-V405 HydrophobicContact CG1-CG1 4.49Å; L340-V405 HydrophobicContact CD1-CG2 3.97Å; L340-V405 HydrophobicContact CD2-CG2 3.93Å; F376-V405 HydrophobicContact CE1-CG1 4.18Å; F376-V405 HydrophobicContact CZ-CG1 4.33Å; F376-V405 HydrophobicContact CZ-CG2 4.19Å; S385-V405 WeakPolarHBondContact CA-O 3.33Å; G386-V405 PolarHBondContact N-O 2.82Å; G386-V405 PolarHBondContact O-N 3.12Å; Y388-V405 HydrophobicContact CD2-CB 4Å; Y388-V405 HydrophobicContact CD2-CG2 3.54Å; Y388-V405 HydrophobicContact CE2-CB 3.93Å; Y388-V405 HydrophobicContact CE2-CG2 3.87Å; Y388-V405 HydrophobicContact CG-CG2 4.46Å; F403-V405 HydrophobicContact CB-CG2 4.28Å; F403-V405 PolarHBondContact O-N 2.82Å
406S93.2Very high94.7Very high57 Ų5751.8 Ų51.840%0.39926%0.256SS..EExtended strand (participates in β ladder)trans-117.2112.7175.6-174.10000109.8I328 T329 V330I328-S406 PolarHBondContact O-N 2.89Å; T329-S406 WeakPolarHBondContact CA-O 3.45Å; V330-S406 PolarHBondContact N-O 3.39Å; V330-S406 VanDerWaalsContact N-O 3.08Å
407V92.8Very high94.9Very high12 Ų1244.2 Ų44.27%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-86.7120.8173.61800000108.9V330 I332 I380 H384 S385V330-V407 HydrophobicContact CG1-CB 4.39Å; V330-V407 HydrophobicContact CG1-CG2 3.81Å; V330-V407 CarbonylContact O-C 3.59Å; V330-V407 WeakPolarHBondContact O-CA 3.4Å; I332-V407 HydrophobicContact CB-CG1 4Å; I332-V407 HydrophobicContact CG1-CG1 4.47Å; I380-V407 HydrophobicContact CG2-CB 4.25Å; I380-V407 HydrophobicContact CG2-CG1 3.57Å; I380-V407 HydrophobicContact CG2-CG2 3.62Å; H384-V407 HydrophobicContact CB-CG2 4.16Å; S385-V407 WeakPolarHBondContact OG-CB 3.43Å; S385-V407 PolarHBondContact OG-N 2.96Å
408V90.9Very high94.9Very high17 Ų1743.3 Ų43.310%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-122146.7-172.6-59.70000112.1T329 V330 R331 I332 Y512T329-V408 HydrophobicContact CG2-CB 4.31Å; T329-V408 HydrophobicContact CG2-CG1 3.84Å; T329-V408 HydrophobicContact CG2-CG2 3.47Å; T329-V408 VanDerWaalsContact CG2-CG2 3.47Å; V330-V408 WeakPolarHBondContact O-CG2 3.44Å; V330-V408 PolarHBondContact O-N 2.92Å; R331-V408 CarbonylContact C-O 3.59Å; R331-V408 VanDerWaalsContact CA-O 3.24Å; R331-V408 WeakPolarHBondContact CA-O 3.24Å; I332-V408 PolarHBondContact N-O 2.92Å; V408-Y512 HydrophobicContact CB-CD2 4.04Å; V408-Y512 HydrophobicContact CB-CE1 4.11Å; V408-Y512 HydrophobicContact CB-CE2 3.43Å; V408-Y512 VanDerWaalsContact CB-CE2 3.43Å; V408-Y512 VanDerWaalsContact CB-CZ 3.47Å; V408-Y512 HydrophobicContact CG1-CE2 3.89Å; V408-Y512 HydrophobicContact CG2-CD1 4.29Å; V408-Y512 HydrophobicContact CG2-CE1 3.65Å; V408-Y512 HydrophobicContact CG2-CE2 3.96Å; V408-Y512 VanDerWaalsContact CG2-CZ 3.47Å
409G90.6Very high94.7Very high4 Ų441.5 Ų41.54%0.04123%0.225CC..  trans-162.9162.6-17100000111.3R331 N510R331-G409 VanDerWaalsContact NH1-CA 3.27Å; G409-N510 PolarHBondContact O-ND2 2.83Å; G409-N510 PolarHBondContact O-OD1 2.82Å
410P92.5Very high94.4Very high13 Ų1342.2 Ų42.28%0.08423%0.228CC..SBendtrans-59.4163.216330.8-35.1000110.1Q58 R382Q58-P410 HydrophobicContact CB-CB 4.26Å; Q58-P410 HydrophobicContact CB-CG 4.25Å; Q58-P410 HydrophobicContact CG-CG 4.47Å; R382-P410 PolarHBondContact NH2-O 3.2Å
411P94.5Very high94.2Very high1 Ų140 Ų401%0.00622%0.216CC..  trans-57.2145.9172.4-2537.7000111D436 F438 N510 A515P411-D436 WeakPolarHBondContact CA-O 3.37Å; P411-D436 WeakPolarHBondContact CB-O 3.41Å; P411-F438 HydrophobicContact CB-CB 4.18Å; P411-F438 HydrophobicContact CG-CB 4.03Å; P411-N510 WeakPolarHBondContact CD-ND2 3.5Å; P411-N510 HydrophobicContact CG-CB 4.35Å; P411-A515 HydrophobicContact CB-CB 3.95Å
412E92.3Very high94Very high60 Ų6040.6 Ų40.628%0.2822%0.219SC..EExtended strand (participates in β ladder)trans-113143.8178.9-75174.615900110.6I332 R382 I414 L435 D436I332-E412 WeakPolarHBondContact CD1-OE1 3.28Å; R382-E412 IonicContact CZ-OE2 2.92Å; R382-E412 VanDerWaalsContact CZ-OE2 3.26Å; R382-E412 IonicContact NH1-OE2 2.57Å; R382-E412 PolarHBondContact NH1-OE2 3.47Å; R382-E412 IonicContact NH2-OE2 3.56Å; E412-I414 PolarHBondContact O-N 2.89Å; E412-L435 WeakPolarHBondContact O-CA 3.34Å; E412-D436 PolarHBondContact N-O 3.44Å; E412-D436 PolarHBondContact O-N 2.89Å
413V94.3Very high93.8Very high25 Ų2538.5 Ų38.515%0.15221%0.21CC..EExtended strand (participates in β ladder)trans-89.3104.3175.8-1770000109K56 Q57 A416 L435 A515 V517K56-V413 WeakPolarHBondContact O-CG2 3.39Å; Q57-V413 HydrophobicContact CB-CG2 4.14Å; V413-A416 HydrophobicContact CG1-CB 3.83Å; V413-L435 HydrophobicContact CB-CD2 4.22Å; V413-L435 HydrophobicContact CG1-CD2 4.28Å; V413-L435 HydrophobicContact CG2-CD2 3.66Å; V413-A515 HydrophobicContact CG2-CB 3.87Å; V413-V517 HydrophobicContact CG1-CG1 4Å; V413-V517 HydrophobicContact CG2-CG1 3.77Å
414I93.9Very high93.6Very high95 Ų9539.2 Ų39.249%0.48721%0.214SC..EExtended strand (participates in β ladder)trans-73.4-47.5173.8-63177.3000109.7E412 Q434 D436E412-I414 PolarHBondContact O-N 2.89Å; I414-Q434 HydrophobicContact CB-CB 4.14Å; I414-Q434 HydrophobicContact CB-CG 3.96Å; I414-Q434 HydrophobicContact CD1-CG 4.13Å; I414-Q434 HydrophobicContact CG2-CG 4.28Å; I414-Q434 PolarHBondContact N-O 3.46Å; I414-D436 HydrophobicContact CD1-CB 3.74Å; I414-D436 HydrophobicContact CG1-CB 4.11Å
415R95.8Very high93.4Very high173 Ų17337.8 Ų37.865%0.65321%0.206SC*.EExtended strand (participates in β ladder)trans-138.9115.4178-171.8178.7-71.7-170.5-2.7109.7C433 Q434R415-C433 CarbonylContact O-C 3.51Å; R415-C433 WeakPolarHBondContact O-CA 3.03Å; R415-Q434 HydrophobicContact CB-CB 3.94Å; R415-Q434 PolarHBondContact N-O 2.71Å; R415-Q434 PolarHBondContact O-N 3.12Å
416A94.2Very high93.1Very high28 Ų2839 Ų3923%0.23122%0.22CC..PPolyproline II helixtrans-81148.717400000110.7K56 V413 V517K56-A416 HydrophobicContact CD-CB 3.78Å; V413-A416 HydrophobicContact CG1-CB 3.83Å; A416-V517 HydrophobicContact CB-CG1 4.37Å
417P95.4Very high93.1Very high12 Ų1241.9 Ų41.98%0.07823%0.227CC..PPolyproline II helixtrans-71.9164.3167.734.5-31.4000109.9F431 C433 V517 T519P417-F431 HydrophobicContact CB-CD2 3.54Å; P417-F431 HydrophobicContact CB-CE2 3.85Å; P417-F431 HydrophobicContact CG-CD2 4.36Å; P417-F431 HydrophobicContact CG-CE2 4.2Å; P417-C433 HydrophobicContact CG-CB 4.16Å; P417-V517 HydrophobicContact CG-CB 4.2Å; P417-V517 HydrophobicContact CG-CG2 3.96Å; P417-T519 WeakPolarHBondContact CB-OG1 3.39Å; P417-T519 WeakPolarHBondContact CG-OG1 3.45Å
418P92.5Very high93.2Very high57 Ų5746 Ų4637%0.3725%0.248SC..PPolyproline II helixtrans-60.714417325-33.3000110.8L420 L421 T519P418-L420 PolarHBondContact O-N 2.78Å; P418-L421 HydrophobicContact CB-CD2 4.38Å; P418-L421 HydrophobicContact CG-CD1 4.21Å; P418-L421 HydrophobicContact CG-CD2 3.49Å; P418-L421 VanDerWaalsContact CG-CD2 3.49Å; P418-L421 HydrophobicContact CG-CG 3.74Å; P418-T519 WeakPolarHBondContact O-CB 3.31Å; P418-T519 WeakPolarHBondContact O-CG2 3.34Å; P418-T519 PolarHBondContact O-OG1 2.93Å
419P91.6Very high93.5Very high89 Ų8945.5 Ų45.558%0.57825%0.245SC*.SBendtrans-70.9-21.7-179.129-35.3000112.9Q26 L520Q26-P419 PolarHBondContact NE2-O 2.87Å; Q26-P419 VanDerWaalsContact NE2-O 3.11Å; P419-L520 PolarHBondContact O-N 3.33Å
420L91.7Very high93.7Very high36 Ų3649.4 Ų49.419%0.18827%0.268CS..EExtended strand (participates in β ladder)trans-137.6132.7179175.265.5000108.5P418 L422 L520 R522 P623P418-L420 PolarHBondContact O-N 2.78Å; L420-L422 HydrophobicContact CD1-CD2 3.94Å; L420-L422 HydrophobicContact CD2-CD2 4.09Å; L420-L422 HydrophobicContact CD2-CG 4.35Å; L420-L422 HydrophobicContact CG-CD2 4.07Å; L420-L422 HydrophobicContact CG-CG 4.33Å; L420-L520 CarbonylContact C-O 3.51Å; L420-L520 WeakPolarHBondContact CA-O 3.41Å; L420-L520 HydrophobicContact CD1-CB 4.17Å; L420-L520 HydrophobicContact CD1-CD2 4.04Å; L420-L520 HydrophobicContact CD1-CG 4.04Å; L420-R522 HydrophobicContact CD1-CB 4.24Å; L420-P623 HydrophobicContact CD2-CG 4.34Å
421L93.5Very high94Very high31 Ų3149.6 Ų49.616%0.16227%0.268CS..EExtended strand (participates in β ladder)trans-121.5124.7167.3-75.9172.7000108.5P418 V429 F431 T519 L520 R522P418-L421 HydrophobicContact CB-CD2 4.38Å; P418-L421 HydrophobicContact CG-CD1 4.21Å; P418-L421 HydrophobicContact CG-CD2 3.49Å; P418-L421 VanDerWaalsContact CG-CD2 3.49Å; P418-L421 HydrophobicContact CG-CG 3.74Å; L421-V429 HydrophobicContact CD1-CG1 4.3Å; L421-F431 HydrophobicContact CD1-CB 3.95Å; L421-F431 HydrophobicContact CD1-CD1 3.19Å; L421-F431 HydrophobicContact CD1-CE1 3.8Å; L421-F431 HydrophobicContact CD1-CG 3.74Å; L421-T519 HydrophobicContact CB-CG2 4.27Å; L421-T519 HydrophobicContact CD1-CG2 3.76Å; L421-T519 HydrophobicContact CG-CG2 3.86Å; L421-L520 PolarHBondContact N-O 3.45Å; L421-R522 PolarHBondContact O-N 2.9Å
422L93.6Very high94.1Very high12 Ų1252.1 Ų52.16%0.06329%0.285CS..EExtended strand (participates in β ladder)trans-99.5130.7172.4-59.4-178.7000108.4L420 R522 L524 T562 Y622 V643L420-L422 HydrophobicContact CD1-CD2 3.94Å; L420-L422 HydrophobicContact CD2-CD2 4.09Å; L420-L422 HydrophobicContact CD2-CG 4.35Å; L420-L422 HydrophobicContact CG-CD2 4.07Å; L420-L422 HydrophobicContact CG-CG 4.33Å; L422-R522 HydrophobicContact CD2-CB 3.85Å; L422-R522 HydrophobicContact CD2-CG 4.24Å; L422-L524 HydrophobicContact CB-CD1 4.49Å; L422-T562 HydrophobicContact CD1-CG2 3.86Å; L422-Y622 HydrophobicContact CB-CE1 3.98Å; L422-Y622 HydrophobicContact CB-CE2 4.49Å; L422-Y622 HydrophobicContact CD1-CD1 3.8Å; L422-Y622 HydrophobicContact CD1-CE1 4.08Å; L422-Y622 HydrophobicContact CD1-CG 4.1Å; L422-Y622 HydrophobicContact CG-CD1 3.91Å; L422-Y622 HydrophobicContact CG-CE1 3.68Å; L422-Y622 PolarHBondContact N-OH 2.82Å; L422-Y622 PolarHBondContact O-OH 3.37Å; L422-V643 HydrophobicContact CB-CG1 3.92Å; L422-V643 HydrophobicContact CB-CG2 3.74Å; L422-V643 HydrophobicContact CD1-CG2 3.93Å; L422-V643 HydrophobicContact CG-CG2 4.46Å
423V94Very high94.3Very high17 Ų1749.3 Ų49.310%0.10327%0.272CS..EExtended strand (participates in β ladder)trans-141.9143.7-179.765.30000109.8E427 V429 L490 V521 R522 V523 L524V423-E427 HydrophobicContact CG2-CB 3.54Å; V423-V429 HydrophobicContact CB-CG2 3.91Å; V423-V429 HydrophobicContact CG1-CG2 3.62Å; V423-V429 HydrophobicContact CG2-CG2 3.87Å; V423-L490 HydrophobicContact CG1-CD1 4.43Å; V423-V521 HydrophobicContact CG1-CG1 4.26Å; V423-R522 PolarHBondContact N-O 2.87Å; V423-V523 HydrophobicContact CG1-CB 4.27Å; V423-V523 HydrophobicContact CG1-CG1 4.38Å; V423-V523 HydrophobicContact CG1-CG2 3.79Å; V423-V523 CarbonylContact O-C 3.5Å; V423-V523 WeakPolarHBondContact O-CA 3.09Å; V423-L524 PolarHBondContact O-N 2.82Å
424M93.7Very high94.4Very high16 Ų1650.7 Ų50.78%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-77.8151.4173.9-64.2-59.4-64.800110.9G426 E427 L524 P525 I620 V643 Y644M424-G426 PolarHBondContact O-N 2.94Å; M424-E427 HydrophobicContact CB-CG 4.25Å; M424-E427 WeakPolarHBondContact O-CB 3.48Å; M424-E427 PolarHBondContact O-N 2.96Å; M424-L524 CarbonylContact C-O 3.59Å; M424-L524 HydrophobicContact SD-CB 3.86Å; M424-L524 HydrophobicContact SD-CD1 4.28Å; M424-P525 WeakPolarHBondContact CE-O 3.32Å; M424-I620 HydrophobicContact SD-CD1 4.46Å; M424-V643 HydrophobicContact SD-CG1 4.48Å; M424-Y644 HydrophobicContact CE-CD2 3.84Å; M424-Y644 HydrophobicContact CE-CE2 4.27Å; M424-Y644 HydrophobicContact CE-CG 4.15Å; M424-Y644 HydrophobicContact CG-CD2 3.87Å; M424-Y644 HydrophobicContact CG-CG 4.29Å; M424-Y644 HydrophobicContact SD-CD2 4.12Å; M424-Y644 HydrophobicContact SD-CG 4.12Å
425E93.4Very high94.5Very high32 Ų3246.2 Ų46.215%0.1525%0.254CS..THydrogen-bonded Turntrans-55.9135.1176.3-172.5-169.6167.100112.3E427 L490 L491 F492 V523 L524E425-E427 PolarHBondContact O-N 3.21Å; E425-L490 WeakPolarHBondContact CA-O 3.3Å; E425-L490 VanDerWaalsContact CG-O 3.29Å; E425-L490 WeakPolarHBondContact CG-O 3.22Å; E425-L491 HydrophobicContact CG-CD2 3.93Å; E425-L491 WeakPolarHBondContact OE1-CA 3.31Å; E425-F492 HydrophobicContact CB-CD2 4.09Å; E425-F492 HydrophobicContact CB-CE2 4.47Å; E425-F492 HydrophobicContact CG-CD2 3.83Å; E425-F492 PolarHBondContact OE1-N 2.79Å; E425-V523 HydrophobicContact CB-CG1 4.35Å; E425-L524 WeakPolarHBondContact CB-O 3.32Å; E425-L524 PolarHBondContact N-O 2.82Å
426G90.6Very high94.3Very high32 Ų3239.7 Ų39.733%0.3323%0.232SC..THydrogen-bonded Turntrans85.6-12-179.600000114.2M424 L490M424-G426 PolarHBondContact O-N 2.94Å; G426-L490 PolarHBondContact N-O 2.98Å
427E92.9Very high94.1Very high118 Ų11840.4 Ų40.455%0.55124%0.236SC*.  trans-78159.7170.9-66-61.1135.700111.5V423 M424 E425V423-E427 HydrophobicContact CG2-CB 3.54Å; M424-E427 HydrophobicContact CB-CG 4.25Å; M424-E427 WeakPolarHBondContact O-CB 3.48Å; M424-E427 PolarHBondContact O-N 2.96Å; E425-E427 PolarHBondContact O-N 3.21Å
428N95.1Very high93.9Very high98 Ų9840.5 Ų40.552%0.52424%0.235SC..  trans-95.4143.5-178.5-64.3-29.2000110.3Y488N428-Y488 HydrophobicContact CB-CD1 3.7Å; N428-Y488 HydrophobicContact CB-CE1 4.11Å; N428-Y488 VanDerWaalsContact CG-CD1 3.44Å; N428-Y488 WeakPolarHBondContact OD1-CD1 3.33Å
429V96.4Very high93.9Very high7 Ų742.8 Ų42.84%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-109.8131.8175.7172.40000109.4L421 V423 F431 Y485 S486 A487 L490 V521L421-V429 HydrophobicContact CD1-CG1 4.3Å; V423-V429 HydrophobicContact CB-CG2 3.91Å; V423-V429 HydrophobicContact CG1-CG2 3.62Å; V423-V429 HydrophobicContact CG2-CG2 3.87Å; V429-F431 HydrophobicContact CG1-CD1 3.93Å; V429-F431 HydrophobicContact CG1-CE1 4.21Å; V429-Y485 HydrophobicContact CG1-CD1 4.42Å; V429-Y485 HydrophobicContact CG1-CE1 4.29Å; V429-S486 VanDerWaalsContact O-CA 3.24Å; V429-S486 WeakPolarHBondContact O-CA 3.36Å; V429-A487 PolarHBondContact N-O 2.86Å; V429-A487 PolarHBondContact O-N 2.82Å; V429-L490 HydrophobicContact CB-CD1 4.15Å; V429-L490 HydrophobicContact CG2-CD1 3.57Å; V429-V521 HydrophobicContact CB-CG1 4.39Å; V429-V521 HydrophobicContact CG1-CG1 4.1Å; V429-V521 HydrophobicContact CG1-CG2 4.2Å; V429-V521 HydrophobicContact CG2-CG1 3.78Å
430T96.8Very high93.9Very high85 Ų8542.2 Ų42.252%0.52124%0.238SC..EExtended strand (participates in β ladder)trans-145.5130.7169.3-61.90000109.4T484 Y485 S486T430-T484 HydrophobicContact CG2-CG2 3.76Å; T430-Y485 VanDerWaalsContact CA-O 3.29Å; T430-Y485 WeakPolarHBondContact CA-O 3.18Å; T430-S486 WeakPolarHBondContact OG1-CB 3.43Å
431F97Very high93.9Very high18 Ų1844 Ų448%0.07925%0.245CC..EExtended strand (participates in β ladder)trans-151.5161.8172.564.8-94.5000110P417 L421 V429 T484 Y485 V504 L506 T519 V521P417-F431 HydrophobicContact CB-CD2 3.54Å; P417-F431 HydrophobicContact CB-CE2 3.85Å; P417-F431 HydrophobicContact CG-CD2 4.36Å; P417-F431 HydrophobicContact CG-CE2 4.2Å; L421-F431 HydrophobicContact CD1-CB 3.95Å; L421-F431 HydrophobicContact CD1-CD1 3.19Å; L421-F431 HydrophobicContact CD1-CE1 3.8Å; L421-F431 HydrophobicContact CD1-CG 3.74Å; V429-F431 HydrophobicContact CG1-CD1 3.93Å; V429-F431 HydrophobicContact CG1-CE1 4.21Å; F431-T484 WeakPolarHBondContact O-CA 3.46Å; F431-Y485 AromaticContact CD1-CD1 3.89Å; F431-Y485 HydrophobicContact CD1-CD1 3.89Å; F431-Y485 AromaticContact CE1-CD1 3.28Å; F431-Y485 HydrophobicContact CE1-CD1 3.28Å; F431-Y485 HydrophobicContact CE1-CE1 4Å; F431-Y485 AromaticContact CE1-CG 3.99Å; F431-Y485 HydrophobicContact CE1-CG 3.99Å; F431-Y485 AromaticContact CZ-CD1 3.75Å; F431-Y485 HydrophobicContact CZ-CD1 3.75Å; F431-Y485 HydrophobicContact CZ-CG 4.01Å; F431-Y485 PolarHBondContact N-O 3.06Å; F431-Y485 VanDerWaalsContact N-O 3.12Å; F431-Y485 PolarHBondContact O-N 3.42Å; F431-V504 HydrophobicContact CE1-CG2 4.42Å; F431-V504 HydrophobicContact CZ-CB 3.84Å; F431-V504 HydrophobicContact CZ-CG1 3.76Å; F431-V504 HydrophobicContact CZ-CG2 4.22Å; F431-L506 HydrophobicContact CE2-CD1 4.15Å; F431-T519 HydrophobicContact CE1-CG2 4.05Å; F431-T519 HydrophobicContact CE2-CG2 4.49Å; F431-T519 HydrophobicContact CZ-CG2 4.01Å; F431-V521 HydrophobicContact CE1-CG2 3.92Å
432S96.8Very high93.8Very high53 Ų5343.9 Ų43.937%0.37125%0.247SC..EExtended strand (participates in β ladder)trans-130.6151.1-17863.40000112.2L483S432-L483 CarbonylContact C-O 3.56Å; S432-L483 WeakPolarHBondContact CA-O 3.3Å; S432-L483 WeakPolarHBondContact CB-O 3.39Å
433C96.7Very high93.8Very high1 Ų143.5 Ų43.51%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-119158162.676.40000110.2R415 P417 I482 L483 L506 V517R415-C433 CarbonylContact O-C 3.51Å; R415-C433 WeakPolarHBondContact O-CA 3.03Å; P417-C433 HydrophobicContact CG-CB 4.16Å; C433-I482 WeakPolarHBondContact O-CA 3.43Å; C433-L483 PolarHBondContact N-O 2.86Å; C433-L483 PolarHBondContact O-N 2.8Å; C433-L506 HydrophobicContact CB-CD1 4.23Å; C433-L506 VanDerWaalsContact SG-CD1 3.51Å; C433-V517 HydrophobicContact CB-CG2 3.98Å
434Q97.5Very high93.9Very high55 Ų5543.5 Ų43.526%0.25724%0.244SC..EExtended strand (participates in β ladder)trans-117.4114174.1-170.1-179.6-5.800109I414 R415 H481 I482I414-Q434 HydrophobicContact CB-CB 4.14Å; I414-Q434 HydrophobicContact CB-CG 3.96Å; I414-Q434 HydrophobicContact CD1-CG 4.13Å; I414-Q434 HydrophobicContact CG2-CG 4.28Å; I414-Q434 PolarHBondContact N-O 3.46Å; R415-Q434 HydrophobicContact CB-CB 3.94Å; R415-Q434 PolarHBondContact N-O 2.71Å; R415-Q434 PolarHBondContact O-N 3.12Å; Q434-H481 CarbonylContact C-O 3.58Å; Q434-H481 WeakPolarHBondContact CA-O 3.14Å; Q434-H481 HydrophobicContact CG-CB 4.07Å; Q434-I482 HydrophobicContact CB-CG1 4.48Å; Q434-I482 HydrophobicContact CG-CG1 4.16Å
435L95.3Very high93.9Very high0 Ų042.7 Ų42.70%024%0.24CC..EExtended strand (participates in β ladder)trans-114136.9178.1-58.2-174.6000109.5E412 V413 F438 H481 L483 A515E412-L435 WeakPolarHBondContact O-CA 3.34Å; V413-L435 HydrophobicContact CB-CD2 4.22Å; V413-L435 HydrophobicContact CG1-CD2 4.28Å; V413-L435 HydrophobicContact CG2-CD2 3.66Å; L435-F438 HydrophobicContact CB-CD1 3.67Å; L435-F438 HydrophobicContact CB-CE1 3.9Å; L435-F438 WeakPolarHBondContact O-CD1 2.93Å; L435-F438 WeakPolarHBondContact O-CE1 3.1Å; L435-H481 PolarHBondContact N-O 3.13Å; L435-H481 WeakPolarHBondContact O-CA 3.46Å; L435-H481 VanDerWaalsContact O-CB 3.26Å; L435-H481 WeakPolarHBondContact O-CB 3.37Å; L435-H481 PolarHBondContact O-ND1 3.21Å; L435-H481 VanDerWaalsContact O-O 3.12Å; L435-L483 HydrophobicContact CD1-CD1 3.73Å; L435-L483 HydrophobicContact CG-CD1 4.32Å; L435-A515 HydrophobicContact CD2-CB 4.32Å
436D92.2Very high93.9Very high36 Ų3641.3 Ų41.319%0.19323%0.234CC..EExtended strand (participates in β ladder)trans-105.3150.5175.2-169.117000111.8R382 P411 E412 I414 F438 H481R382-D436 IonicContact CZ-OD2 3.25Å; R382-D436 VanDerWaalsContact NH1-CG 3.27Å; R382-D436 IonicContact NH1-OD2 3.92Å; R382-D436 PolarHBondContact NH1-OD2 3.34Å; P411-D436 WeakPolarHBondContact CA-O 3.37Å; P411-D436 WeakPolarHBondContact CB-O 3.41Å; E412-D436 PolarHBondContact N-O 3.44Å; E412-D436 PolarHBondContact O-N 2.89Å; I414-D436 HydrophobicContact CD1-CB 3.74Å; I414-D436 HydrophobicContact CG1-CB 4.11Å; D436-F438 VanDerWaalsContact C-N 3.27Å; D436-F438 PolarHBondContact O-N 2.93Å; D436-H481 IonicContact OD1-CE1 3.44Å; D436-H481 PolarHBondContact OD1-CE1 2.91Å; D436-H481 IonicContact OD1-ND1 3.88Å; D436-H481 PolarHBondContact OD1-ND1 3.24Å; D436-H481 IonicContact OD1-NE2 2.88Å
437S90.1Very high94Very high43 Ų4340.3 Ų40.330%0.30122%0.223SC..SBendtrans57.332.3170.5-600000115.5R382 N510R382-S437 WeakPolarHBondContact CD-OG 3.43Å; R382-S437 VanDerWaalsContact CZ-CB 3.45Å; R382-S437 PolarHBondContact NE-OG 3.29Å; R382-S437 PolarHBondContact NH1-OG 3.16Å; S437-N510 PolarHBondContact O-ND2 3.48Å
438F91Very high93.9Very high15 Ų1535.3 Ų35.37%0.06620%0.2CC..  trans-90.1145.1167.568-85.2000110.8P411 L435 D436 E441 R478 L483P411-F438 HydrophobicContact CB-CB 4.18Å; P411-F438 HydrophobicContact CG-CB 4.03Å; L435-F438 HydrophobicContact CB-CD1 3.67Å; L435-F438 HydrophobicContact CB-CE1 3.9Å; L435-F438 WeakPolarHBondContact O-CD1 2.93Å; L435-F438 WeakPolarHBondContact O-CE1 3.1Å; D436-F438 VanDerWaalsContact C-N 3.27Å; D436-F438 PolarHBondContact O-N 2.93Å; F438-E441 HydrophobicContact CD2-CB 4.24Å; F438-E441 HydrophobicContact CE2-CB 4.08Å; F438-R478 HydrophobicContact CZ-CG 4.48Å; F438-L483 HydrophobicContact CE2-CD2 4.23Å; F438-L483 HydrophobicContact CZ-CD2 3.92Å; F438-L483 HydrophobicContact CZ-CG 4.29Å
439I91.5Very high93.7Very high105 Ų10533.8 Ų33.854%0.53820%0.196SC..SBendtrans-97-43.6175.5-60.2172.8000109.1K509 N510 E511I439-K509 PolarHBondContact N-O 2.64Å; I439-N510 HydrophobicContact CD1-CB 3.91Å; I439-N510 HydrophobicContact CG1-CB 3.9Å; I439-E511 HydrophobicContact CD1-CG 4.21Å
440T91.5Very high93.3Very high77 Ų7735.7 Ų35.747%0.47220%0.202SC..EExtended strand (participates in β ladder)trans-123.6150.8179.558.20000110.9G508 K509T440-G508 CarbonylContact O-C 3.56Å; T440-K509 PolarHBondContact N-O 3.04Å; T440-K509 VanDerWaalsContact N-O 3.12Å; T440-K509 PolarHBondContact O-N 2.93Å
441E92.2Very high92.7Very high73 Ų7334.7 Ų34.734%0.34119%0.192SC..EExtended strand (participates in β ladder)trans-125.1149.2178.163.8-81.3-169.300110.7F438 L476 R478 L483 V507F438-E441 HydrophobicContact CD2-CB 4.24Å; F438-E441 HydrophobicContact CE2-CB 4.08Å; E441-L476 HydrophobicContact CB-CD2 4.33Å; E441-L476 HydrophobicContact CG-CD2 4.09Å; E441-R478 WeakPolarHBondContact OE1-CD 3.17Å; E441-R478 IonicContact OE1-NH1 3.71Å; E441-R478 IonicContact OE2-CZ 3.34Å; E441-R478 IonicContact OE2-NH1 2.79Å; E441-R478 PolarHBondContact OE2-NH1 2.89Å; E441-L483 HydrophobicContact CB-CD1 4.2Å; E441-L483 HydrophobicContact CB-CD2 4.25Å; E441-L483 HydrophobicContact CG-CD2 4.25Å; E441-V507 CarbonylContact C-O 3.59Å; E441-V507 WeakPolarHBondContact CA-O 3.18Å
442S91.8Very high91.5Very high28 Ų2839.8 Ų39.820%0.19623%0.227CC..EExtended strand (participates in β ladder)trans-137.7138.1168.762.10000111.1V507S442-V507 PolarHBondContact N-O 3.25Å; S442-V507 PolarHBondContact O-N 2.66Å; S442-V507 WeakPolarHBondContact OG-CB 3.29Å
443L94.1Very high90.8Very high5 Ų540.6 Ų40.63%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-95.5132.7165.9170.264.1000107.6I445 Y450 I473 L476 Y485 V504 L506L443-I445 HydrophobicContact CD1-CD1 3.85Å; L443-I445 HydrophobicContact CD2-CD1 4.41Å; L443-I445 HydrophobicContact CG-CD1 4.12Å; L443-Y450 HydrophobicContact CD2-CD2 3.99Å; L443-Y450 HydrophobicContact CD2-CG 4.09Å; L443-Y450 VanDerWaalsContact O-CB 3.24Å; L443-Y450 WeakPolarHBondContact O-CB 3.47Å; L443-Y450 PolarHBondContact O-N 2.83Å; L443-I473 HydrophobicContact CD2-CG2 4.25Å; L443-L476 HydrophobicContact CB-CB 4.1Å; L443-L476 HydrophobicContact CB-CD2 4.24Å; L443-L476 HydrophobicContact CD2-CB 4.35Å; L443-Y485 HydrophobicContact CD1-CD2 3.73Å; L443-Y485 HydrophobicContact CD1-CE2 4.09Å; L443-Y485 HydrophobicContact CD2-CD2 4.17Å; L443-Y485 HydrophobicContact CD2-CE2 4.29Å; L443-V504 HydrophobicContact CD1-CG1 3.63Å; L443-L506 HydrophobicContact CD1-CD2 3.6Å
444E94.5Very high89.7Confident16 Ų1643.4 Ų43.48%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-128.7135.9173.5-56.1169.2-168.100109.4L448 P449 S505 R516E444-L448 CarbonylContact C-O 3.52Å; E444-L448 VanDerWaalsContact CA-O 3.25Å; E444-L448 WeakPolarHBondContact CA-O 3.42Å; E444-P449 HydrophobicContact CG-CB 4.32Å; E444-S505 PolarHBondContact N-O 3.08Å; E444-S505 PolarHBondContact O-N 2.9Å; E444-R516 IonicContact OE1-CZ 3.66Å; E444-R516 IonicContact OE1-NH2 2.66Å; E444-R516 PolarHBondContact OE1-NH2 2.97Å; E444-R516 IonicContact OE2-CZ 3.21Å; E444-R516 IonicContact OE2-NE 3.77Å; E444-R516 IonicContact OE2-NH2 3.42Å; E444-R516 PolarHBondContact OE2-NH2 2.91Å
445I94.8Very high89Confident0 Ų045.4 Ų45.40%026%0.261CS..EExtended strand (participates in β ladder)trans-116116.4-179.1-53.6-61.8000107.7L443 G447 L448 F457 L461 L468 I473 Y485 H502 T503 V504L443-I445 HydrophobicContact CD1-CD1 3.85Å; L443-I445 HydrophobicContact CD2-CD1 4.41Å; L443-I445 HydrophobicContact CG-CD1 4.12Å; I445-G447 PolarHBondContact O-N 3.03Å; I445-G447 VanDerWaalsContact O-N 3.12Å; I445-L448 PolarHBondContact N-O 2.05Å; I445-L448 VanDerWaalsContact O-CB 3.31Å; I445-L448 WeakPolarHBondContact O-CB 3.42Å; I445-L448 PolarHBondContact O-N 2.98Å; I445-F457 HydrophobicContact CB-CZ 4.32Å; I445-F457 HydrophobicContact CG1-CZ 3.98Å; I445-L461 HydrophobicContact CB-CD1 4.23Å; I445-L461 HydrophobicContact CG2-CD1 3.95Å; I445-L468 HydrophobicContact CG2-CD1 4.04Å; I445-I473 HydrophobicContact CB-CD1 4.33Å; I445-I473 HydrophobicContact CD1-CD1 4.05Å; I445-I473 HydrophobicContact CD1-CG2 4.27Å; I445-I473 HydrophobicContact CG1-CD1 3.77Å; I445-I473 HydrophobicContact CG1-CG2 4.43Å; I445-I473 HydrophobicContact CG2-CD1 3.82Å; I445-Y485 HydrophobicContact CD1-CE2 3.76Å; I445-H502 HydrophobicContact CG2-CB 4.2Å; I445-T503 CarbonylContact C-O 3.53Å; I445-T503 WeakPolarHBondContact CA-O 3.33Å; I445-V504 HydrophobicContact CD1-CG1 4.44Å; I445-V504 HydrophobicContact CD1-CG2 4.15Å
446N93.8Very high88.5Confident3 Ų349.6 Ų49.62%0.01628%0.283CS..THydrogen-bonded Turntrans53.129.4-171.8-63.8-15.7000112.7N155 E157 L448 Y465 Y467 H502 T503N155-N446 PolarHBondContact O-ND2 3.06Å; E157-N446 PolarHBondContact N-O 3.07Å; E157-N446 CarbonylContact O-C 3.6Å; N446-L448 VanDerWaalsContact C-N 3.3Å; N446-L448 PolarHBondContact O-N 2.72Å; N446-Y465 HydrophobicContact CB-CD2 4.24Å; N446-Y465 HydrophobicContact CB-CE1 4.06Å; N446-Y465 HydrophobicContact CB-CE2 3.73Å; N446-Y465 PolarHBondContact O-OH 2.9Å; N446-Y467 PolarHBondContact ND2-OH 3.35Å; N446-H502 WeakPolarHBondContact OD1-CA 3.46Å; N446-H502 VanDerWaalsContact OD1-CB 3.31Å; N446-H502 WeakPolarHBondContact OD1-CB 3.5Å; N446-T503 PolarHBondContact N-O 3.29Å; N446-T503 PolarHBondContact OD1-N 3.49Å
447G91.1Very high88.2Confident11 Ų1148 Ų4811%0.11328%0.275CS..THydrogen-bonded Turntrans83.3-7.8-175.100000115.2E157 I445 P449E157-G447 PolarHBondContact O-N 2.72Å; I445-G447 PolarHBondContact O-N 3.03Å; I445-G447 VanDerWaalsContact O-N 3.12Å; G447-P449 WeakPolarHBondContact O-CD 3.32Å
448L91.5Very high88Confident13 Ų1352.5 Ų52.57%0.06829%0.285CS..EExtended strand (participates in β ladder)trans-77.2119.8172.4-175.871.5000109.9E444 I445 N446 Y450 F457 E460 L461 Y465E444-L448 CarbonylContact C-O 3.52Å; E444-L448 VanDerWaalsContact CA-O 3.25Å; E444-L448 WeakPolarHBondContact CA-O 3.42Å; I445-L448 PolarHBondContact N-O 2.05Å; I445-L448 VanDerWaalsContact O-CB 3.31Å; I445-L448 WeakPolarHBondContact O-CB 3.42Å; I445-L448 PolarHBondContact O-N 2.98Å; N446-L448 VanDerWaalsContact C-N 3.3Å; N446-L448 PolarHBondContact O-N 2.72Å; L448-Y450 PolarHBondContact O-N 2.82Å; L448-F457 HydrophobicContact CD2-CD2 4.19Å; L448-F457 HydrophobicContact CD2-CE2 3.78Å; L448-F457 HydrophobicContact CG-CE2 4.12Å; L448-E460 HydrophobicContact CD1-CG 3.99Å; L448-E460 WeakPolarHBondContact CD1-OE1 3.43Å; L448-E460 HydrophobicContact CD2-CB 4.31Å; L448-E460 HydrophobicContact CD2-CG 3.93Å; L448-L461 HydrophobicContact CD2-CB 4.33Å; L448-L461 HydrophobicContact CD2-CD1 4.09Å; L448-Y465 HydrophobicContact CB-CE2 4.43Å
449P90.8Very high87.8Confident66 Ų6654.4 Ų54.443%0.42930%0.298SS..EExtended strand (participates in β ladder)trans-68.1131.4179.328-33.9000111.5E444 G447 Q451E444-P449 HydrophobicContact CG-CB 4.32Å; G447-P449 WeakPolarHBondContact O-CD 3.32Å; P449-Q451 PolarHBondContact O-N 2.91Å
450Y88.7Confident87.7Confident46 Ų4653.1 Ų53.118%0.1829%0.29CS..PPolyproline II helixtrans-61.5128.1173.9-175.7-88.7000110.3L443 L448 F457 P475L443-Y450 HydrophobicContact CD2-CD2 3.99Å; L443-Y450 HydrophobicContact CD2-CG 4.09Å; L443-Y450 VanDerWaalsContact O-CB 3.24Å; L443-Y450 WeakPolarHBondContact O-CB 3.47Å; L443-Y450 PolarHBondContact O-N 2.83Å; L448-Y450 PolarHBondContact O-N 2.82Å; Y450-F457 AromaticContact CD2-CD1 3.75Å; Y450-F457 HydrophobicContact CD2-CD1 3.75Å; Y450-F457 AromaticContact CD2-CE1 3.54Å; Y450-F457 HydrophobicContact CD2-CE1 3.54Å; Y450-F457 HydrophobicContact CD2-CE2 4.38Å; Y450-F457 HydrophobicContact CD2-CG 4.26Å; Y450-F457 AromaticContact CD2-CZ 3.89Å; Y450-F457 HydrophobicContact CD2-CZ 3.89Å; Y450-F457 AromaticContact CE2-CD1 3.83Å; Y450-F457 HydrophobicContact CE2-CD1 3.83Å; Y450-F457 AromaticContact CE2-CE1 3.92Å; Y450-F457 HydrophobicContact CE2-CE1 3.92Å; Y450-P475 HydrophobicContact CE1-CB 4.43Å; Y450-P475 WeakPolarHBondContact OH-CG 3.23Å
451Q83.1Confident87.6Confident65 Ų6549.8 Ų49.830%0.30427%0.269SS..PPolyproline II helixtrans-101.7143.2176.7-60179.8000110.6P449 N453 F457 E460P449-Q451 PolarHBondContact O-N 2.91Å; Q451-N453 PolarHBondContact O-N 2.96Å; Q451-N453 VanDerWaalsContact O-N 3.16Å; Q451-F457 HydrophobicContact CB-CB 4.22Å; Q451-E460 PolarHBondContact NE2-OE2 2.77Å
452P72.8Confident87.5Confident125 Ų12552.3 Ų52.381%0.81228%0.276SS*.SBendtrans-63.3-21.7179.123.6-32.4000113.4P454P452-P454 VanDerWaalsContact O-CD 3.23Å; P452-P454 WeakPolarHBondContact O-CD 3.42Å
453N81Confident87.4Confident70 Ų7056.1 Ų56.137%0.37429%0.294SS..SBendtrans-83.9107.1171.2-177.6-7.4000110.2Q451 T455 N456 F457Q451-N453 PolarHBondContact O-N 2.96Å; Q451-N453 VanDerWaalsContact O-N 3.16Å; N453-T455 VanDerWaalsContact C-N 3.27Å; N453-T455 PolarHBondContact O-N 1.99Å; N453-T455 PolarHBondContact OD1-N 2.89Å; N453-N456 HydrophobicContact CB-CB 4.41Å; N453-N456 VanDerWaalsContact ND2-CG 3.35Å; N453-N456 PolarHBondContact ND2-ND2 3.34Å; N453-N456 PolarHBondContact ND2-OD1 3.02Å; N453-N456 PolarHBondContact O-N 3.01Å; N453-F457 PolarHBondContact O-N 3.48Å
454P75.1Confident87.2Confident60 Ų6060.5 Ų60.539%0.3931%0.314SS..Hα-helixtrans-65.6-29.7-172.9-20.234.1000113.2P452 R458P452-P454 VanDerWaalsContact O-CD 3.23Å; P452-P454 WeakPolarHBondContact O-CD 3.42Å; P454-R458 VanDerWaalsContact O-CB 3.26Å; P454-R458 WeakPolarHBondContact O-CB 3.41Å; P454-R458 WeakPolarHBondContact O-CG 3.35Å; P454-R458 PolarHBondContact O-N 2.9Å
455T82.2Confident87Confident96 Ų9660 Ų6059%0.58931%0.312SS*.Hα-helixtrans-72.5-44.3-175.3-46.20000111.4N453 T459N453-T455 VanDerWaalsContact C-N 3.27Å; N453-T455 PolarHBondContact O-N 1.99Å; N453-T455 PolarHBondContact OD1-N 2.89Å; T455-T459 WeakPolarHBondContact O-CB 3.49Å; T455-T459 PolarHBondContact O-N 3.14Å; T455-T459 VanDerWaalsContact O-N 3.08Å; T455-T459 PolarHBondContact O-OG1 2.87Å
456N84.6Confident86.8Confident88 Ų8863.6 Ų63.647%0.47134%0.335SS..Hα-helixtrans-64.6-49.1176.9-72.46.9000110.1N453 R458 T459 E460N453-N456 HydrophobicContact CB-CB 4.41Å; N453-N456 VanDerWaalsContact ND2-CG 3.35Å; N453-N456 PolarHBondContact ND2-ND2 3.34Å; N453-N456 PolarHBondContact ND2-OD1 3.02Å; N453-N456 PolarHBondContact O-N 3.01Å; N456-R458 PolarHBondContact O-N 2.83Å; N456-T459 PolarHBondContact O-N 2.87Å; N456-T459 VanDerWaalsContact O-N 3.14Å; N456-E460 PolarHBondContact O-N 3.01Å
457F86Confident86.5Confident4 Ų464.7 Ų64.72%0.01834%0.339CS..Hα-helixtrans-59.5-45.3178.9179.5-108.6000112.3I445 L448 Y450 Q451 N453 T459 E460 L461I445-F457 HydrophobicContact CB-CZ 4.32Å; I445-F457 HydrophobicContact CG1-CZ 3.98Å; L448-F457 HydrophobicContact CD2-CD2 4.19Å; L448-F457 HydrophobicContact CD2-CE2 3.78Å; L448-F457 HydrophobicContact CG-CE2 4.12Å; Y450-F457 AromaticContact CD2-CD1 3.75Å; Y450-F457 HydrophobicContact CD2-CD1 3.75Å; Y450-F457 AromaticContact CD2-CE1 3.54Å; Y450-F457 HydrophobicContact CD2-CE1 3.54Å; Y450-F457 HydrophobicContact CD2-CE2 4.38Å; Y450-F457 HydrophobicContact CD2-CG 4.26Å; Y450-F457 AromaticContact CD2-CZ 3.89Å; Y450-F457 HydrophobicContact CD2-CZ 3.89Å; Y450-F457 AromaticContact CE2-CD1 3.83Å; Y450-F457 HydrophobicContact CE2-CD1 3.83Å; Y450-F457 AromaticContact CE2-CE1 3.92Å; Y450-F457 HydrophobicContact CE2-CE1 3.92Å; Q451-F457 HydrophobicContact CB-CB 4.22Å; N453-F457 PolarHBondContact O-N 3.48Å; F457-T459 VanDerWaalsContact C-N 3.28Å; F457-T459 PolarHBondContact O-N 2.82Å; F457-E460 PolarHBondContact O-N 3.45Å; F457-L461 HydrophobicContact CE1-CD2 4.14Å; F457-L461 HydrophobicContact CZ-CD1 4.11Å; F457-L461 HydrophobicContact CZ-CD2 4.34Å; F457-L461 WeakPolarHBondContact O-CB 3.47Å; F457-L461 PolarHBondContact O-N 2.73Å
458R85.4Confident86.5Confident136 Ų13664.2 Ų64.251%0.51333%0.334SS..Hα-helixtrans-61.9-36.8177-78.2176179.9-172.70.6112.6P454 N456 R462P454-R458 VanDerWaalsContact O-CB 3.26Å; P454-R458 WeakPolarHBondContact O-CB 3.41Å; P454-R458 WeakPolarHBondContact O-CG 3.35Å; P454-R458 PolarHBondContact O-N 2.9Å; N456-R458 PolarHBondContact O-N 2.83Å; R458-R462 WeakPolarHBondContact O-CB 3.33Å; R458-R462 PolarHBondContact O-N 2.78Å
459T88.3Confident86.4Confident55 Ų5568.4 Ų68.434%0.33735%0.352SS..Hα-helixtrans-68.4-49.5178-56.10000110.3T455 N456 F457 L461 R462 D463T455-T459 WeakPolarHBondContact O-CB 3.49Å; T455-T459 PolarHBondContact O-N 3.14Å; T455-T459 VanDerWaalsContact O-N 3.08Å; T455-T459 PolarHBondContact O-OG1 2.87Å; N456-T459 PolarHBondContact O-N 2.87Å; N456-T459 VanDerWaalsContact O-N 3.14Å; F457-T459 VanDerWaalsContact C-N 3.28Å; F457-T459 PolarHBondContact O-N 2.82Å; T459-L461 PolarHBondContact O-N 2.9Å; T459-R462 PolarHBondContact O-N 3.07Å; T459-D463 WeakPolarHBondContact O-CB 3.48Å; T459-D463 PolarHBondContact O-N 3.44Å
460E89.5Confident86.3Confident78 Ų7868.7 Ų68.736%0.36435%0.349SS..Hα-helixtrans-61.5-44.2177.8-169.3171.9-166.400112L448 Q451 N456 F457 R462 D463 Q464L448-E460 HydrophobicContact CD1-CG 3.99Å; L448-E460 WeakPolarHBondContact CD1-OE1 3.43Å; L448-E460 HydrophobicContact CD2-CB 4.31Å; L448-E460 HydrophobicContact CD2-CG 3.93Å; Q451-E460 PolarHBondContact NE2-OE2 2.77Å; N456-E460 PolarHBondContact O-N 3.01Å; F457-E460 PolarHBondContact O-N 3.45Å; E460-R462 PolarHBondContact O-N 2.96Å; E460-D463 PolarHBondContact O-N 3.21Å; E460-Q464 WeakPolarHBondContact O-CB 3.34Å; E460-Q464 PolarHBondContact O-N 3.13Å
461L89.3Confident86.4Confident7 Ų767 Ų674%0.03735%0.345CS..Hα-helixtrans-62.1-42.4176.2-168.977000111.6I445 L448 F457 T459 Y465 L468 I473I445-L461 HydrophobicContact CB-CD1 4.23Å; I445-L461 HydrophobicContact CG2-CD1 3.95Å; L448-L461 HydrophobicContact CD2-CB 4.33Å; L448-L461 HydrophobicContact CD2-CD1 4.09Å; F457-L461 HydrophobicContact CE1-CD2 4.14Å; F457-L461 HydrophobicContact CZ-CD1 4.11Å; F457-L461 HydrophobicContact CZ-CD2 4.34Å; F457-L461 WeakPolarHBondContact O-CB 3.47Å; F457-L461 PolarHBondContact O-N 2.73Å; T459-L461 PolarHBondContact O-N 2.9Å; L461-Y465 HydrophobicContact CD1-CD2 3.95Å; L461-Y465 CarbonylContact O-C 3.53Å; L461-Y465 VanDerWaalsContact O-CA 3.29Å; L461-Y465 WeakPolarHBondContact O-CA 3.32Å; L461-Y465 WeakPolarHBondContact O-CB 3.4Å; L461-Y465 PolarHBondContact O-N 3.47Å; L461-L468 HydrophobicContact CD1-CD1 4.01Å; L461-L468 HydrophobicContact CD2-CB 4.05Å; L461-L468 HydrophobicContact CD2-CD1 4.36Å; L461-L468 HydrophobicContact CG-CB 4.23Å; L461-L468 HydrophobicContact CG-CD1 4.26Å; L461-I473 HydrophobicContact CD2-CD1 3.76Å
462R88.4Confident86.8Confident126 Ų12667 Ų6748%0.47535%0.347SS..Hα-helixtrans-65.8-42.7177178.4-173.371.8-170.4-0.7111.8R458 T459 E460 P466 K469R458-R462 WeakPolarHBondContact O-CB 3.33Å; R458-R462 PolarHBondContact O-N 2.78Å; T459-R462 PolarHBondContact O-N 3.07Å; E460-R462 PolarHBondContact O-N 2.96Å; R462-P466 VanDerWaalsContact O-CA 3.28Å; R462-P466 WeakPolarHBondContact O-CA 3.49Å; R462-P466 WeakPolarHBondContact O-CG 3.38Å; R462-K469 HydrophobicContact CB-CB 4.38Å; R462-K469 HydrophobicContact CG-CB 3.8Å
463D90.2Very high87.6Confident109 Ų10961.7 Ų61.758%0.58331%0.311SS*.Hα-helixtrans-71.5-35.8-175.3-65.9-5.9000110.7T459 E460T459-D463 WeakPolarHBondContact O-CB 3.48Å; T459-D463 PolarHBondContact O-N 3.44Å; E460-D463 PolarHBondContact O-N 3.21Å
464Q90.5Very high88.1Confident97 Ų9761.2 Ų61.245%0.45331%0.307SS..Hα-helixtrans-86.4-37.1178.1-163.317333.600113.5E460E460-Q464 WeakPolarHBondContact O-CB 3.34Å; E460-Q464 PolarHBondContact O-N 3.13Å
465Y90.9Very high88.8Confident6 Ų661.7 Ų61.72%0.02431%0.31CS..  trans-131.375.5-177.2-52.1-68000111.4N446 L448 L461 Y467 L468N446-Y465 HydrophobicContact CB-CD2 4.24Å; N446-Y465 HydrophobicContact CB-CE1 4.06Å; N446-Y465 HydrophobicContact CB-CE2 3.73Å; N446-Y465 PolarHBondContact O-OH 2.9Å; L448-Y465 HydrophobicContact CB-CE2 4.43Å; L461-Y465 HydrophobicContact CD1-CD2 3.95Å; L461-Y465 CarbonylContact O-C 3.53Å; L461-Y465 VanDerWaalsContact O-CA 3.29Å; L461-Y465 WeakPolarHBondContact O-CA 3.32Å; L461-Y465 WeakPolarHBondContact O-CB 3.4Å; L461-Y465 PolarHBondContact O-N 3.47Å; Y465-Y467 HydrophobicContact CD1-CE1 4.31Å; Y465-Y467 WeakPolarHBondContact CD1-OH 3.05Å; Y465-Y467 PolarHBondContact O-N 3.3Å; Y465-L468 WeakPolarHBondContact O-CB 3.25Å; Y465-L468 PolarHBondContact O-N 3.24Å
466P89.4Confident89.2Confident75 Ų7558.7 Ų58.749%0.48729%0.29SS..G310 helixtrans-58.3-24.8-172.7-2734.6000115.5R462 L468 K469R462-P466 VanDerWaalsContact O-CA 3.28Å; R462-P466 WeakPolarHBondContact O-CA 3.49Å; R462-P466 WeakPolarHBondContact O-CG 3.38Å; P466-L468 PolarHBondContact O-N 3.08Å; P466-K469 VanDerWaalsContact O-CB 3.26Å; P466-K469 WeakPolarHBondContact O-CB 3.31Å; P466-K469 VanDerWaalsContact O-CG 3.26Å; P466-K469 WeakPolarHBondContact O-CG 3.15Å; P466-K469 PolarHBondContact O-N 3.26Å
467Y88.5Confident89.7Confident25 Ų2559.6 Ų59.610%0.09829%0.292CS..G310 helixtrans-72.1-10.3176.555.1-97000113.8N155 N446 Y465 G499 T501N155-Y467 PolarHBondContact O-OH 3.1Å; N446-Y467 PolarHBondContact ND2-OH 3.35Å; Y465-Y467 HydrophobicContact CD1-CE1 4.31Å; Y465-Y467 WeakPolarHBondContact CD1-OH 3.05Å; Y465-Y467 PolarHBondContact O-N 3.3Å; Y467-G499 WeakPolarHBondContact CB-O 3.45Å; Y467-G499 WeakPolarHBondContact CD2-O 3.41Å; Y467-T501 VanDerWaalsContact CE2-O 3.31Å; Y467-T501 WeakPolarHBondContact CE2-O 3.3Å
468L91.2Very high90Very high2 Ų265.2 Ų65.21%0.0131%0.313CS..G310 helixtrans-98.94.1172.4-64.6175.3000113.2I445 L461 Y465 P466 D470 A471 P500 H502I445-L468 HydrophobicContact CG2-CD1 4.04Å; L461-L468 HydrophobicContact CD1-CD1 4.01Å; L461-L468 HydrophobicContact CD2-CB 4.05Å; L461-L468 HydrophobicContact CD2-CD1 4.36Å; L461-L468 HydrophobicContact CG-CB 4.23Å; L461-L468 HydrophobicContact CG-CD1 4.26Å; Y465-L468 WeakPolarHBondContact O-CB 3.25Å; Y465-L468 PolarHBondContact O-N 3.24Å; P466-L468 PolarHBondContact O-N 3.08Å; L468-D470 PolarHBondContact O-N 3.1Å; L468-D470 VanDerWaalsContact O-N 3.1Å; L468-A471 HydrophobicContact CB-CB 4.45Å; L468-A471 HydrophobicContact CD2-CB 4.31Å; L468-A471 WeakPolarHBondContact O-CB 3.11Å; L468-A471 PolarHBondContact O-N 2.73Å; L468-P500 HydrophobicContact CD2-CB 3.84Å; L468-P500 WeakPolarHBondContact CD2-O 3.33Å; L468-H502 HydrophobicContact CD1-CB 3.99Å; L468-H502 HydrophobicContact CD2-CB 4.02Å
469K87.4Confident90.3Very high100 Ų10064.8 Ų64.844%0.43532%0.321SS..THydrogen-bonded Turntrans-55-34.1-172.670.7-176.3-171.1176.40114.3R462 P466 T493R462-K469 HydrophobicContact CB-CB 4.38Å; R462-K469 HydrophobicContact CG-CB 3.8Å; P466-K469 VanDerWaalsContact O-CB 3.26Å; P466-K469 WeakPolarHBondContact O-CB 3.31Å; P466-K469 VanDerWaalsContact O-CG 3.26Å; P466-K469 WeakPolarHBondContact O-CG 3.15Å; P466-K469 PolarHBondContact O-N 3.26Å; K469-T493 HydrophobicContact CD-CG2 4.24Å
470D88.7Confident90.5Very high72 Ų7264.3 Ų64.339%0.38533%0.327SS..THydrogen-bonded Turntrans-98.6-8-176.7-60.4-42.8000112.2L468 L472 N489L468-D470 PolarHBondContact O-N 3.1Å; L468-D470 VanDerWaalsContact O-N 3.1Å; D470-L472 PolarHBondContact O-N 2.88Å; D470-N489 PolarHBondContact O-ND2 2.94Å
471A91.6Very high90.7Very high10 Ų1064.9 Ų64.98%0.08333%0.329CS..  trans-69.8126.2-179.300000110.8L468 I473 L490L468-A471 HydrophobicContact CB-CB 4.45Å; L468-A471 HydrophobicContact CD2-CB 4.31Å; L468-A471 WeakPolarHBondContact O-CB 3.11Å; L468-A471 PolarHBondContact O-N 2.73Å; A471-I473 PolarHBondContact O-N 2.91Å; A471-L490 HydrophobicContact CB-CD2 3.93Å
472L91.2Very high91Very high67 Ų6767.5 Ų67.535%0.35134%0.343SS..EExtended strand (participates in β ladder)trans-95.181.2-179.4-63.5178.9000110.4D470 Q474 A487 Y488 N489D470-L472 PolarHBondContact O-N 2.88Å; L472-Q474 PolarHBondContact O-N 3.02Å; L472-A487 WeakPolarHBondContact O-CA 3.29Å; L472-Y488 PolarHBondContact N-O 3.28Å; L472-Y488 PolarHBondContact O-N 2.94Å; L472-Y488 VanDerWaalsContact O-N 3.12Å; L472-N489 HydrophobicContact CB-CB 4.5Å; L472-N489 HydrophobicContact CD1-CB 3.98Å; L472-N489 HydrophobicContact CG-CB 3.96Å
473I91.1Very high91.4Very high12 Ų1261.5 Ų61.56%0.06232%0.32CS..EExtended strand (participates in β ladder)trans-74.2120.5176.5-56.7-178.4000109.6L443 I445 L461 A471 Y485 A487L443-I473 HydrophobicContact CD2-CG2 4.25Å; I445-I473 HydrophobicContact CB-CD1 4.33Å; I445-I473 HydrophobicContact CD1-CD1 4.05Å; I445-I473 HydrophobicContact CD1-CG2 4.27Å; I445-I473 HydrophobicContact CG1-CD1 3.77Å; I445-I473 HydrophobicContact CG1-CG2 4.43Å; I445-I473 HydrophobicContact CG2-CD1 3.82Å; L461-I473 HydrophobicContact CD2-CD1 3.76Å; A471-I473 PolarHBondContact O-N 2.91Å; I473-Y485 HydrophobicContact CG2-CE2 3.85Å; I473-A487 HydrophobicContact CG1-CB 4.46Å
474Q90.7Very high91.7Very high60 Ų6057.7 Ų57.728%0.2830%0.301SS..PPolyproline II helixtrans-78.5152.8177.3-63.7-58.2-56.600111.4L472 S486 Y488L472-Q474 PolarHBondContact O-N 3.02Å; Q474-S486 WeakPolarHBondContact CB-O 2.94Å; Q474-S486 VanDerWaalsContact CB-OG 3.3Å; Q474-S486 WeakPolarHBondContact CB-OG 3.29Å; Q474-S486 WeakPolarHBondContact CG-OG 3.2Å; Q474-S486 PolarHBondContact N-O 2.83Å; Q474-Y488 HydrophobicContact CG-CD2 3.95Å; Q474-Y488 HydrophobicContact CG-CE2 3.32Å
475P89.5Confident92.1Very high70 Ų7053.1 Ų53.146%0.45528%0.28SS..PPolyproline II helixtrans-54.2142.3165.5-18.929.5000110.6Y450 Q477Y450-P475 HydrophobicContact CE1-CB 4.43Å; Y450-P475 WeakPolarHBondContact OH-CG 3.23Å; P475-Q477 PolarHBondContact O-N 2.81Å
476L91.8Very high92.3Very high33 Ų3353 Ų5317%0.17328%0.279CS..PPolyproline II helixtrans-59.9123.3178.3-173.466.1000110.3E441 L443 L483 L506E441-L476 HydrophobicContact CB-CD2 4.33Å; E441-L476 HydrophobicContact CG-CD2 4.09Å; L443-L476 HydrophobicContact CB-CB 4.1Å; L443-L476 HydrophobicContact CB-CD2 4.24Å; L443-L476 HydrophobicContact CD2-CB 4.35Å; L476-L483 HydrophobicContact CD1-CB 4.32Å; L476-L483 HydrophobicContact CD2-CB 4.45Å; L476-L483 HydrophobicContact CD2-CD1 4.33Å; L476-L483 HydrophobicContact CD2-CD2 4.14Å; L476-L506 HydrophobicContact CD1-CD2 3.49Å; L476-L506 VanDerWaalsContact CD1-CD2 3.49Å; L476-L506 HydrophobicContact CD2-CD2 4.3Å
477Q93.4Very high92.6Very high108 Ų10849.4 Ų49.451%0.50526%0.256SS..EExtended strand (participates in β ladder)trans-90.3126.4179.1-65.1-179.8-4.500110.2P475 L483 T484P475-Q477 PolarHBondContact O-N 2.81Å; Q477-L483 CarbonylContact O-C 3.56Å; Q477-L483 WeakPolarHBondContact O-CA 3.4Å; Q477-T484 PolarHBondContact N-O 2.8Å; Q477-T484 VanDerWaalsContact N-O 3.09Å; Q477-T484 PolarHBondContact O-N 3.49Å
478R92.6Very high93Very high122 Ų12252 Ų5246%0.4627%0.266SS..EExtended strand (participates in β ladder)trans-111.4120.7178.1179.6178.9175.7-177.9-0.6110.4F438 E441 G480 I482 L483F438-R478 HydrophobicContact CZ-CG 4.48Å; E441-R478 WeakPolarHBondContact OE1-CD 3.17Å; E441-R478 IonicContact OE1-NH1 3.71Å; E441-R478 IonicContact OE2-CZ 3.34Å; E441-R478 IonicContact OE2-NH1 2.79Å; E441-R478 PolarHBondContact OE2-NH1 2.89Å; R478-G480 PolarHBondContact NE-O 3.5Å; R478-I482 WeakPolarHBondContact CA-O 3.33Å; R478-L483 HydrophobicContact CB-CD2 4.01Å; R478-L483 HydrophobicContact CG-CD2 3.99Å
479N93.1Very high93.1Very high126 Ų12655 Ų5567%0.67428%0.282SS*.EExtended strand (participates in β ladder)trans-122.291.9169.5-174.28.6000109.3H481 I482N479-H481 PolarHBondContact O-N 3.07Å; N479-I482 PolarHBondContact N-O 2.81Å; N479-I482 PolarHBondContact O-N 3.07Å
480G91.6Very high93.5Very high46 Ų4650.2 Ų50.247%0.47426%0.262SS..THydrogen-bonded Turntrans60-110.4-172.800000111.6R478R478-G480 PolarHBondContact NE-O 3.5Å
481H93.2Very high93.7Very high89 Ų8949.6 Ų49.641%0.41226%0.258SS..THydrogen-bonded Turntrans-89.5-5.5179.2-64.8-61.7000114Q434 L435 D436 N479Q434-H481 CarbonylContact C-O 3.58Å; Q434-H481 WeakPolarHBondContact CA-O 3.14Å; Q434-H481 HydrophobicContact CG-CB 4.07Å; L435-H481 PolarHBondContact N-O 3.13Å; L435-H481 WeakPolarHBondContact O-CA 3.46Å; L435-H481 VanDerWaalsContact O-CB 3.26Å; L435-H481 WeakPolarHBondContact O-CB 3.37Å; L435-H481 PolarHBondContact O-ND1 3.21Å; L435-H481 VanDerWaalsContact O-O 3.12Å; D436-H481 IonicContact OD1-CE1 3.44Å; D436-H481 PolarHBondContact OD1-CE1 2.91Å; D436-H481 IonicContact OD1-ND1 3.88Å; D436-H481 PolarHBondContact OD1-ND1 3.24Å; D436-H481 IonicContact OD1-NE2 2.88Å; N479-H481 PolarHBondContact O-N 3.07Å
482I96.6Very high93.7Very high62 Ų6251 Ų5132%0.31826%0.262SS..EExtended strand (participates in β ladder)trans-99125.1-176.4-57.5174.6000109.1C433 Q434 R478 N479C433-I482 WeakPolarHBondContact O-CA 3.43Å; Q434-I482 HydrophobicContact CB-CG1 4.48Å; Q434-I482 HydrophobicContact CG-CG1 4.16Å; R478-I482 WeakPolarHBondContact CA-O 3.33Å; N479-I482 PolarHBondContact N-O 2.81Å; N479-I482 PolarHBondContact O-N 3.07Å
483L96.1Very high93.4Very high0 Ų048.7 Ų48.70%025%0.251CS..EExtended strand (participates in β ladder)trans-107.6124.6172.5-59.5177.1000108.4S432 C433 L435 F438 E441 L476 Q477 R478 L506S432-L483 CarbonylContact C-O 3.56Å; S432-L483 WeakPolarHBondContact CA-O 3.3Å; S432-L483 WeakPolarHBondContact CB-O 3.39Å; C433-L483 PolarHBondContact N-O 2.86Å; C433-L483 PolarHBondContact O-N 2.8Å; L435-L483 HydrophobicContact CD1-CD1 3.73Å; L435-L483 HydrophobicContact CG-CD1 4.32Å; F438-L483 HydrophobicContact CE2-CD2 4.23Å; F438-L483 HydrophobicContact CZ-CD2 3.92Å; F438-L483 HydrophobicContact CZ-CG 4.29Å; E441-L483 HydrophobicContact CB-CD1 4.2Å; E441-L483 HydrophobicContact CB-CD2 4.25Å; E441-L483 HydrophobicContact CG-CD2 4.25Å; L476-L483 HydrophobicContact CD1-CB 4.32Å; L476-L483 HydrophobicContact CD2-CB 4.45Å; L476-L483 HydrophobicContact CD2-CD1 4.33Å; L476-L483 HydrophobicContact CD2-CD2 4.14Å; Q477-L483 CarbonylContact O-C 3.56Å; Q477-L483 WeakPolarHBondContact O-CA 3.4Å; R478-L483 HydrophobicContact CB-CD2 4.01Å; R478-L483 HydrophobicContact CG-CD2 3.99Å; L483-L506 HydrophobicContact CB-CD1 4.42Å
484T97.1Very high92.9Very high30 Ų3053.8 Ų53.818%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-117.8121.8-176.9-53.70000110.3T430 F431 Q477T430-T484 HydrophobicContact CG2-CG2 3.76Å; F431-T484 WeakPolarHBondContact O-CA 3.46Å; Q477-T484 PolarHBondContact N-O 2.8Å; Q477-T484 VanDerWaalsContact N-O 3.09Å; Q477-T484 PolarHBondContact O-N 3.49Å
485Y97.7Very high92.1Very high1 Ų155 Ų550%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-92.3139.8171.9175.2-101.9000109.8V429 T430 F431 L443 I445 I473 A487 H502 V504V429-Y485 HydrophobicContact CG1-CD1 4.42Å; V429-Y485 HydrophobicContact CG1-CE1 4.29Å; T430-Y485 VanDerWaalsContact CA-O 3.29Å; T430-Y485 WeakPolarHBondContact CA-O 3.18Å; F431-Y485 AromaticContact CD1-CD1 3.89Å; F431-Y485 HydrophobicContact CD1-CD1 3.89Å; F431-Y485 AromaticContact CE1-CD1 3.28Å; F431-Y485 HydrophobicContact CE1-CD1 3.28Å; F431-Y485 HydrophobicContact CE1-CE1 4Å; F431-Y485 AromaticContact CE1-CG 3.99Å; F431-Y485 HydrophobicContact CE1-CG 3.99Å; F431-Y485 AromaticContact CZ-CD1 3.75Å; F431-Y485 HydrophobicContact CZ-CD1 3.75Å; F431-Y485 HydrophobicContact CZ-CG 4.01Å; F431-Y485 PolarHBondContact N-O 3.06Å; F431-Y485 VanDerWaalsContact N-O 3.12Å; F431-Y485 PolarHBondContact O-N 3.42Å; L443-Y485 HydrophobicContact CD1-CD2 3.73Å; L443-Y485 HydrophobicContact CD1-CE2 4.09Å; L443-Y485 HydrophobicContact CD2-CD2 4.17Å; L443-Y485 HydrophobicContact CD2-CE2 4.29Å; I445-Y485 HydrophobicContact CD1-CE2 3.76Å; I473-Y485 HydrophobicContact CG2-CE2 3.85Å; Y485-A487 HydrophobicContact CE1-CB 3.89Å; Y485-A487 WeakPolarHBondContact OH-CB 3.21Å; Y485-H502 AromaticContact CE1-NE2 3.93Å; Y485-H502 AromaticContact CZ-NE2 3.64Å; Y485-H502 PolarHBondContact OH-CD2 2.78Å; Y485-H502 PolarHBondContact OH-NE2 2.92Å; Y485-V504 HydrophobicContact CD1-CG1 4.32Å; Y485-V504 HydrophobicContact CD1-CG2 4.09Å; Y485-V504 HydrophobicContact CD2-CG1 3.76Å; Y485-V504 HydrophobicContact CD2-CG2 4.37Å; Y485-V504 HydrophobicContact CE1-CG2 3.63Å; Y485-V504 HydrophobicContact CE2-CG1 4.06Å; Y485-V504 HydrophobicContact CE2-CG2 3.96Å; Y485-V504 HydrophobicContact CG-CG1 3.87Å; Y485-V504 HydrophobicContact CG-CG2 4.4Å
486S96.9Very high91.7Very high2 Ų253.1 Ų53.11%0.01430%0.302CS..EExtended strand (participates in β ladder)trans-143.9141.7169.1530000111.8V429 T430 Q474V429-S486 VanDerWaalsContact O-CA 3.24Å; V429-S486 WeakPolarHBondContact O-CA 3.36Å; T430-S486 WeakPolarHBondContact OG1-CB 3.43Å; Q474-S486 WeakPolarHBondContact CB-O 2.94Å; Q474-S486 VanDerWaalsContact CB-OG 3.3Å; Q474-S486 WeakPolarHBondContact CB-OG 3.29Å; Q474-S486 WeakPolarHBondContact CG-OG 3.2Å; Q474-S486 PolarHBondContact N-O 2.83Å
487A95.7Very high91Very high0 Ų060.8 Ų60.80%033%0.334CS..EExtended strand (participates in β ladder)trans-143.3145174.700000110.8V429 L472 I473 Y485 L490V429-A487 PolarHBondContact N-O 2.86Å; V429-A487 PolarHBondContact O-N 2.82Å; L472-A487 WeakPolarHBondContact O-CA 3.29Å; I473-A487 HydrophobicContact CG1-CB 4.46Å; Y485-A487 HydrophobicContact CE1-CB 3.89Å; Y485-A487 WeakPolarHBondContact OH-CB 3.21Å; A487-L490 HydrophobicContact CB-CD2 4.32Å
488Y95.6Very high90.4Very high79 Ų7956.4 Ų56.431%0.3131%0.314SS..EExtended strand (participates in β ladder)trans-130.4172.5-176.1-44.1-61000110.8N428 L472 Q474 L490N428-Y488 HydrophobicContact CB-CD1 3.7Å; N428-Y488 HydrophobicContact CB-CE1 4.11Å; N428-Y488 VanDerWaalsContact CG-CD1 3.44Å; N428-Y488 WeakPolarHBondContact OD1-CD1 3.33Å; L472-Y488 PolarHBondContact N-O 3.28Å; L472-Y488 PolarHBondContact O-N 2.94Å; L472-Y488 VanDerWaalsContact O-N 3.12Å; Q474-Y488 HydrophobicContact CG-CD2 3.95Å; Q474-Y488 HydrophobicContact CG-CE2 3.32Å; Y488-L490 PolarHBondContact O-N 3.02Å
489N94.4Very high90.2Very high66 Ų6650.6 Ų50.635%0.35329%0.292SS..  trans55.441.2177.9-161.943.8000112.6D470 L472 L491D470-N489 PolarHBondContact O-ND2 2.94Å; L472-N489 HydrophobicContact CB-CB 4.5Å; L472-N489 HydrophobicContact CD1-CB 3.98Å; L472-N489 HydrophobicContact CG-CB 3.96Å; N489-L491 PolarHBondContact O-N 2.91Å; N489-L491 VanDerWaalsContact OD1-CD1 3.23Å; N489-L491 WeakPolarHBondContact OD1-CD1 3.31Å
490L94.7Very high90.2Very high0 Ų044.7 Ų44.70%026%0.26CS..  trans-78.474.8178.7-62.5178.9000109.4V423 E425 G426 V429 A471 A487 Y488 P500 V523V423-L490 HydrophobicContact CG1-CD1 4.43Å; E425-L490 WeakPolarHBondContact CA-O 3.3Å; E425-L490 VanDerWaalsContact CG-O 3.29Å; E425-L490 WeakPolarHBondContact CG-O 3.22Å; G426-L490 PolarHBondContact N-O 2.98Å; V429-L490 HydrophobicContact CB-CD1 4.15Å; V429-L490 HydrophobicContact CG2-CD1 3.57Å; A471-L490 HydrophobicContact CB-CD2 3.93Å; A487-L490 HydrophobicContact CB-CD2 4.32Å; Y488-L490 PolarHBondContact O-N 3.02Å; L490-P500 VanDerWaalsContact C-CG 3.43Å; L490-P500 HydrophobicContact CB-CG 3.87Å; L490-P500 HydrophobicContact CD2-CB 4.13Å; L490-P500 HydrophobicContact CD2-CG 4.31Å; L490-V523 HydrophobicContact CB-CG1 4.19Å; L490-V523 HydrophobicContact CB-CG2 4.17Å; L490-V523 HydrophobicContact CD1-CG2 4.03Å
491L92.8Very high90.3Very high58 Ų5842.5 Ų42.530%0.30424%0.238SC..PPolyproline II helixtrans-103.1145179.4-61176.8000112.2E425 N489 T493 P500E425-L491 HydrophobicContact CG-CD2 3.93Å; E425-L491 WeakPolarHBondContact OE1-CA 3.31Å; N489-L491 PolarHBondContact O-N 2.91Å; N489-L491 VanDerWaalsContact OD1-CD1 3.23Å; N489-L491 WeakPolarHBondContact OD1-CD1 3.31Å; L491-T493 PolarHBondContact O-N 2.83Å; L491-P500 WeakPolarHBondContact O-CD 3.49Å; L491-P500 WeakPolarHBondContact O-CG 3.46Å
492F91.3Very high90.3Very high41 Ų4138.3 Ų38.318%0.1822%0.218CC..PPolyproline II helixtrans-68.9119.9174.8-90.8-113.7000109.4E425 G499 V523 P525E425-F492 HydrophobicContact CB-CD2 4.09Å; E425-F492 HydrophobicContact CB-CE2 4.47Å; E425-F492 HydrophobicContact CG-CD2 3.83Å; E425-F492 PolarHBondContact OE1-N 2.79Å; F492-G499 VanDerWaalsContact CD1-CA 3.47Å; F492-G499 VanDerWaalsContact CE1-CA 3.42Å; F492-G499 VanDerWaalsContact CE1-N 3.27Å; F492-V523 HydrophobicContact CE2-CB 4.46Å; F492-V523 HydrophobicContact CE2-CG1 4.12Å; F492-V523 WeakPolarHBondContact CE2-O 3.17Å; F492-V523 WeakPolarHBondContact CZ-O 3.1Å; F492-P525 HydrophobicContact CD1-CB 4.32Å; F492-P525 HydrophobicContact CD2-CB 4.15Å; F492-P525 HydrophobicContact CE1-CB 4.04Å; F492-P525 HydrophobicContact CE1-CG 4.32Å; F492-P525 HydrophobicContact CE2-CB 3.87Å; F492-P525 HydrophobicContact CE2-CG 4.47Å; F492-P525 HydrophobicContact CG-CB 4.38Å; F492-P525 HydrophobicContact CZ-CB 3.82Å; F492-P525 HydrophobicContact CZ-CG 4.04Å
493T84.8Confident90.2Very high18 Ų1835.9 Ų35.911%0.1121%0.206CC..PPolyproline II helixtrans-67.8136.1171.4-62.30000109.4K469 L491 G495 S496K469-T493 HydrophobicContact CD-CG2 4.24Å; L491-T493 PolarHBondContact O-N 2.83Å; T493-G495 PolarHBondContact O-N 2.86Å; T493-S496 WeakPolarHBondContact O-CB 3.15Å; T493-S496 PolarHBondContact O-N 3.5Å
494P80.6Confident90.3Very high119 Ų11935.9 Ų35.977%0.77321%0.206SC*.THydrogen-bonded Turntrans-51.6129.5177.2-29.135.4000112.7S496P494-S496 PolarHBondContact O-N 2.85Å
495G75.1Confident90.2Very high86 Ų8634.5 Ų34.589%0.88720%0.198SC*.THydrogen-bonded Turntrans79.7-8.8-17700000115.3T493 K497T493-G495 PolarHBondContact O-N 2.86Å; G495-K497 PolarHBondContact O-N 3.04Å
496S79.8Confident90.1Very high29 Ų2934.5 Ų34.520%0.20320%0.198CC..  trans-77.1119.7172.1-177.90000110.3T493 P494 I498 G499T493-S496 WeakPolarHBondContact O-CB 3.15Å; T493-S496 PolarHBondContact O-N 3.5Å; P494-S496 PolarHBondContact O-N 2.85Å; S496-I498 VanDerWaalsContact C-N 3.3Å; S496-I498 PolarHBondContact OG-N 3.42Å; S496-G499 PolarHBondContact OG-N 2.79Å; S496-G499 VanDerWaalsContact OG-N 3.12Å
497K77.7Confident90Very high194 Ų19434.4 Ų34.484%0.84320%0.197SC*.SBendtrans-75.2-21.7173-65.5-170176.2-169.90113.4G495G495-K497 PolarHBondContact O-N 3.04Å
498I81.6Confident90Very high17 Ų1734.4 Ų34.49%0.08720%0.197CC..SBendtrans-98.6-24.8-166.4-63.6-177.1000110.9Y24 S496 T501Y24-I498 HydrophobicContact CE1-CG2 3.3Å; Y24-I498 WeakPolarHBondContact OH-CG2 3.21Å; Y24-I498 PolarHBondContact OH-O 2.87Å; S496-I498 VanDerWaalsContact C-N 3.3Å; S496-I498 PolarHBondContact OG-N 3.42Å; I498-T501 PolarHBondContact O-OG1 3.06Å; I498-T501 VanDerWaalsContact O-OG1 3.07Å
499G87.7Confident89.8Confident0 Ų034.3 Ų34.30%020%0.199CC..THydrogen-bonded Turntrans63.8-164.2-172.300000112Y467 F492 S496 T501Y467-G499 WeakPolarHBondContact CB-O 3.45Å; Y467-G499 WeakPolarHBondContact CD2-O 3.41Å; F492-G499 VanDerWaalsContact CD1-CA 3.47Å; F492-G499 VanDerWaalsContact CE1-CA 3.42Å; F492-G499 VanDerWaalsContact CE1-N 3.27Å; S496-G499 PolarHBondContact OG-N 2.79Å; S496-G499 VanDerWaalsContact OG-N 3.12Å; G499-T501 PolarHBondContact O-N 3.44Å
500P93.3Very high89.8Confident1 Ų132.3 Ų32.31%0.00619%0.188CC..THydrogen-bonded Turntrans-80.838.617931.8-30.4000112.2L468 L490 L491 H502 V523L468-P500 HydrophobicContact CD2-CB 3.84Å; L468-P500 WeakPolarHBondContact CD2-O 3.33Å; L490-P500 VanDerWaalsContact C-CG 3.43Å; L490-P500 HydrophobicContact CB-CG 3.87Å; L490-P500 HydrophobicContact CD2-CB 4.13Å; L490-P500 HydrophobicContact CD2-CG 4.31Å; L491-P500 WeakPolarHBondContact O-CD 3.49Å; L491-P500 WeakPolarHBondContact O-CG 3.46Å; P500-H502 PolarHBondContact O-ND1 2.97Å; P500-V523 HydrophobicContact CG-CB 4.07Å; P500-V523 HydrophobicContact CG-CG1 3.98Å; P500-V523 HydrophobicContact CG-CG2 4.02Å
501T93.1Very high89.4Confident1 Ų138 Ų381%0.00621%0.214CC..  trans-70.1133.5173.9-65.40000110.2Y24 Y467 I498 G499 L520 V521 R522 V523Y24-T501 HydrophobicContact CD1-CG2 3.49Å; Y24-T501 VanDerWaalsContact CD1-CG2 3.49Å; Y24-T501 HydrophobicContact CD2-CG2 4.36Å; Y24-T501 VanDerWaalsContact CE1-CB 3.48Å; Y24-T501 HydrophobicContact CE1-CG2 3.04Å; Y24-T501 HydrophobicContact CE2-CG2 4.02Å; Y24-T501 HydrophobicContact CG-CG2 4.11Å; Y24-T501 WeakPolarHBondContact OH-CB 3.42Å; Y24-T501 PolarHBondContact OH-OG1 3.17Å; Y467-T501 VanDerWaalsContact CE2-O 3.31Å; Y467-T501 WeakPolarHBondContact CE2-O 3.3Å; I498-T501 PolarHBondContact O-OG1 3.06Å; I498-T501 VanDerWaalsContact O-OG1 3.07Å; G499-T501 PolarHBondContact O-N 3.44Å; T501-L520 HydrophobicContact CG2-CD1 3.97Å; T501-V521 WeakPolarHBondContact CA-O 3.27Å; T501-V521 WeakPolarHBondContact CG2-O 3.5Å; T501-R522 HydrophobicContact CG2-CB 4.14Å; T501-R522 HydrophobicContact CG2-CG 4.26Å; T501-V523 PolarHBondContact OG1-N 3.22Å
502H94Very high89.2Confident1 Ų138.2 Ų38.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-154.3154.2-176.457.4-76.1000112.4I445 N446 L468 Y485 P500 V504 V521I445-H502 HydrophobicContact CG2-CB 4.2Å; N446-H502 WeakPolarHBondContact OD1-CA 3.46Å; N446-H502 VanDerWaalsContact OD1-CB 3.31Å; N446-H502 WeakPolarHBondContact OD1-CB 3.5Å; L468-H502 HydrophobicContact CD1-CB 3.99Å; L468-H502 HydrophobicContact CD2-CB 4.02Å; Y485-H502 AromaticContact CE1-NE2 3.93Å; Y485-H502 AromaticContact CZ-NE2 3.64Å; Y485-H502 PolarHBondContact OH-CD2 2.78Å; Y485-H502 PolarHBondContact OH-NE2 2.92Å; P500-H502 PolarHBondContact O-ND1 2.97Å; H502-V504 VanDerWaalsContact CD2-CG2 3.49Å; H502-V504 WeakPolarHBondContact CD2-CG2 3.1Å; H502-V521 PolarHBondContact N-O 3.16Å; H502-V521 PolarHBondContact O-N 3.13Å
503T95Very high89.2Confident11 Ų1136.4 Ų36.47%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-92.1131170.7-61.10000109.4L158 I445 N446 T519L158-T503 HydrophobicContact CD1-CG2 3.97Å; I445-T503 CarbonylContact C-O 3.53Å; I445-T503 WeakPolarHBondContact CA-O 3.33Å; N446-T503 PolarHBondContact N-O 3.29Å; N446-T503 PolarHBondContact OD1-N 3.49Å; T503-T519 WeakPolarHBondContact CA-O 3.22Å
504V96.2Very high89.6Confident0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-107.9119.5174.7-179.50000108.2F431 L443 I445 Y485 H502 L506 S518 T519 V521F431-V504 HydrophobicContact CE1-CG2 4.42Å; F431-V504 HydrophobicContact CZ-CB 3.84Å; F431-V504 HydrophobicContact CZ-CG1 3.76Å; F431-V504 HydrophobicContact CZ-CG2 4.22Å; L443-V504 HydrophobicContact CD1-CG1 3.63Å; I445-V504 HydrophobicContact CD1-CG1 4.44Å; I445-V504 HydrophobicContact CD1-CG2 4.15Å; Y485-V504 HydrophobicContact CD1-CG1 4.32Å; Y485-V504 HydrophobicContact CD1-CG2 4.09Å; Y485-V504 HydrophobicContact CD2-CG1 3.76Å; Y485-V504 HydrophobicContact CD2-CG2 4.37Å; Y485-V504 HydrophobicContact CE1-CG2 3.63Å; Y485-V504 HydrophobicContact CE2-CG1 4.06Å; Y485-V504 HydrophobicContact CE2-CG2 3.96Å; Y485-V504 HydrophobicContact CG-CG1 3.87Å; Y485-V504 HydrophobicContact CG-CG2 4.4Å; H502-V504 VanDerWaalsContact CD2-CG2 3.49Å; H502-V504 WeakPolarHBondContact CD2-CG2 3.1Å; V504-L506 HydrophobicContact CG1-CD2 4.12Å; V504-L506 HydrophobicContact CG1-CG 4.39Å; V504-S518 CarbonylContact O-C 3.55Å; V504-S518 VanDerWaalsContact O-CA 3.25Å; V504-S518 WeakPolarHBondContact O-CA 3.11Å; V504-T519 PolarHBondContact N-O 3.18Å; V504-T519 PolarHBondContact O-N 3.25Å; V504-V521 HydrophobicContact CG2-CG2 3.93Å
505S95.9Very high90.3Very high1 Ų130.3 Ų30.31%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-109.1122.7171-660000110.3E444 V517 S518E444-S505 PolarHBondContact N-O 3.08Å; E444-S505 PolarHBondContact O-N 2.9Å; S505-V517 CarbonylContact C-O 3.57Å; S505-V517 WeakPolarHBondContact CA-O 3.4Å; S505-S518 PolarHBondContact OG-OG 3.17Å
506L96.4Very high91.2Very high1 Ų126.9 Ų26.91%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-102.6122.7172.3-56.3-179.2000108.2F431 C433 L443 L476 L483 V504 R516 V517F431-L506 HydrophobicContact CE2-CD1 4.15Å; C433-L506 HydrophobicContact CB-CD1 4.23Å; C433-L506 VanDerWaalsContact SG-CD1 3.51Å; L443-L506 HydrophobicContact CD1-CD2 3.6Å; L476-L506 HydrophobicContact CD1-CD2 3.49Å; L476-L506 VanDerWaalsContact CD1-CD2 3.49Å; L476-L506 HydrophobicContact CD2-CD2 4.3Å; L483-L506 HydrophobicContact CB-CD1 4.42Å; V504-L506 HydrophobicContact CG1-CD2 4.12Å; V504-L506 HydrophobicContact CG1-CG 4.39Å; L506-R516 WeakPolarHBondContact O-CA 3.38Å; L506-V517 HydrophobicContact CB-CG2 3.92Å; L506-V517 PolarHBondContact N-O 2.9Å; L506-V517 PolarHBondContact O-N 3.21Å
507V94.6Very high92Very high0 Ų025.9 Ų25.90%012%0.118CC..EExtended strand (participates in β ladder)trans-123.7120.7-175-165.30000109.6E441 S442 K509 L514 A515 R516E441-V507 CarbonylContact C-O 3.59Å; E441-V507 WeakPolarHBondContact CA-O 3.18Å; S442-V507 PolarHBondContact N-O 3.25Å; S442-V507 PolarHBondContact O-N 2.66Å; S442-V507 WeakPolarHBondContact OG-CB 3.29Å; V507-K509 HydrophobicContact CG1-CD 4.39Å; V507-K509 HydrophobicContact CG1-CG 3.93Å; V507-L514 HydrophobicContact CG1-CB 4.26Å; V507-L514 HydrophobicContact CG1-CD1 4.29Å; V507-L514 HydrophobicContact CG1-CD2 4.37Å; V507-A515 CarbonylContact C-O 3.42Å; V507-A515 WeakPolarHBondContact CA-O 3.46Å; V507-R516 HydrophobicContact CG1-CB 4.38Å; V507-R516 HydrophobicContact CG2-CB 4.27Å; V507-R516 HydrophobicContact CG2-CG 4.1Å; V507-R516 VanDerWaalsContact CG2-CZ 3.48Å
508G94.7Very high92.8Very high0 Ų018.5 Ų18.50%09%0.091CC..EExtended strand (participates in β ladder)trans-99.3135.9165.600000109.8T440 L514 A515T440-G508 CarbonylContact O-C 3.56Å; G508-L514 CarbonylContact O-C 3.6Å; G508-L514 WeakPolarHBondContact O-CA 3.43Å; G508-L514 WeakPolarHBondContact O-CB 3.35Å; G508-A515 PolarHBondContact N-O 2.83Å; G508-A515 PolarHBondContact O-N 3.38Å
509K93Very high93.5Very high77 Ų7717.7 Ų17.734%0.3359%0.087SC..EExtended strand (participates in β ladder)trans-130.9148.6-179.2-53.8-176.7-179.2165.20111.5I439 T440 V507 L514I439-K509 PolarHBondContact N-O 2.64Å; T440-K509 PolarHBondContact N-O 3.04Å; T440-K509 VanDerWaalsContact N-O 3.12Å; T440-K509 PolarHBondContact O-N 2.93Å; V507-K509 HydrophobicContact CG1-CD 4.39Å; V507-K509 HydrophobicContact CG1-CG 3.93Å; K509-L514 HydrophobicContact CB-CB 4.37Å; K509-L514 HydrophobicContact CG-CB 3.79Å
510N92.5Very high93.8Very high23 Ų2318.1 Ų18.112%0.1239%0.089CC..EExtended strand (participates in β ladder)trans-143.1-175.616769.722.3000109.9G409 P411 S437 I439 Y512 G513G409-N510 PolarHBondContact O-ND2 2.83Å; G409-N510 PolarHBondContact O-OD1 2.82Å; P411-N510 WeakPolarHBondContact CD-ND2 3.5Å; P411-N510 HydrophobicContact CG-CB 4.35Å; S437-N510 PolarHBondContact O-ND2 3.48Å; I439-N510 HydrophobicContact CD1-CB 3.91Å; I439-N510 HydrophobicContact CG1-CB 3.9Å; N510-Y512 PolarHBondContact O-N 2.76Å; N510-Y512 WeakPolarHBondContact OD1-CA 3.46Å; N510-Y512 WeakPolarHBondContact OD1-CB 3.42Å; N510-Y512 PolarHBondContact OD1-N 3.39Å; N510-G513 PolarHBondContact N-O 3.34Å; N510-G513 PolarHBondContact O-N 3.11Å; N510-G513 PolarHBondContact OD1-N 2.85Å
511E88.2Confident93.9Very high120 Ų12018 Ų1856%0.5619%0.088SC*.THydrogen-bonded Turntrans-58.2-21.9-177-59.6-175.5161.300113.8T99 I439T99-E511 PolarHBondContact OG1-O 3.5Å; I439-E511 HydrophobicContact CD1-CG 4.21Å
512Y88.5Confident93.9Very high62 Ų6219.4 Ų19.424%0.2439%0.094CC..THydrogen-bonded Turntrans-106.6-5-170.5-58-73.2000115.4Q58 R331 V408 N510Q58-Y512 PolarHBondContact NE2-O 3.25Å; R331-Y512 PolarHBondContact NH2-O 2.8Å; V408-Y512 HydrophobicContact CB-CD2 4.04Å; V408-Y512 HydrophobicContact CB-CE1 4.11Å; V408-Y512 HydrophobicContact CB-CE2 3.43Å; V408-Y512 VanDerWaalsContact CB-CE2 3.43Å; V408-Y512 VanDerWaalsContact CB-CZ 3.47Å; V408-Y512 HydrophobicContact CG1-CE2 3.89Å; V408-Y512 HydrophobicContact CG2-CD1 4.29Å; V408-Y512 HydrophobicContact CG2-CE1 3.65Å; V408-Y512 HydrophobicContact CG2-CE2 3.96Å; V408-Y512 VanDerWaalsContact CG2-CZ 3.47Å; N510-Y512 PolarHBondContact O-N 2.76Å; N510-Y512 WeakPolarHBondContact OD1-CA 3.46Å; N510-Y512 WeakPolarHBondContact OD1-CB 3.42Å; N510-Y512 PolarHBondContact OD1-N 3.39Å
513G90.9Very high93.9Very high4 Ų419.5 Ų19.54%0.0419%0.094CC..EExtended strand (participates in β ladder)trans151.9-158.6-179.400000113.5Q58 N510Q58-G513 VanDerWaalsContact OE1-CA 3.22Å; N510-G513 PolarHBondContact N-O 3.34Å; N510-G513 PolarHBondContact O-N 3.11Å; N510-G513 PolarHBondContact OD1-N 2.85Å
514L92.6Very high93.9Very high8 Ų819 Ų194%0.0429%0.091CC..EExtended strand (participates in β ladder)trans-145.1160.2-177.966.181.1000112.7F162 V507 G508 K509 R516F162-L514 HydrophobicContact CD1-CD2 4.45Å; F162-L514 HydrophobicContact CD2-CD2 4.04Å; F162-L514 HydrophobicContact CD2-CG 3.91Å; F162-L514 HydrophobicContact CE1-CD2 3.97Å; F162-L514 HydrophobicContact CE2-CD2 3.5Å; F162-L514 VanDerWaalsContact CE2-CD2 3.5Å; F162-L514 HydrophobicContact CE2-CG 3.88Å; F162-L514 HydrophobicContact CG-CG 4.29Å; F162-L514 HydrophobicContact CZ-CD2 3.48Å; F162-L514 VanDerWaalsContact CZ-CD2 3.48Å; F162-L514 HydrophobicContact CZ-CG 4.25Å; V507-L514 HydrophobicContact CG1-CB 4.26Å; V507-L514 HydrophobicContact CG1-CD1 4.29Å; V507-L514 HydrophobicContact CG1-CD2 4.37Å; G508-L514 CarbonylContact O-C 3.6Å; G508-L514 WeakPolarHBondContact O-CA 3.43Å; G508-L514 WeakPolarHBondContact O-CB 3.35Å; K509-L514 HydrophobicContact CB-CB 4.37Å; K509-L514 HydrophobicContact CG-CB 3.79Å; L514-R516 HydrophobicContact CD1-CB 4.1Å
515A95.1Very high93.7Very high0 Ų020.1 Ų20.10%010%0.098CC..EExtended strand (participates in β ladder)trans-120.8124.616200000108.3Q57 P411 V413 L435 V507 G508Q57-A515 HydrophobicContact CB-CB 4.48Å; P411-A515 HydrophobicContact CB-CB 3.95Å; V413-A515 HydrophobicContact CG2-CB 3.87Å; L435-A515 HydrophobicContact CD2-CB 4.32Å; V507-A515 CarbonylContact C-O 3.42Å; V507-A515 WeakPolarHBondContact CA-O 3.46Å; G508-A515 PolarHBondContact N-O 2.83Å; G508-A515 PolarHBondContact O-N 3.38Å
516R95.2Very high93.5Very high14 Ų1426 Ų265%0.05312%0.12CC..EExtended strand (participates in β ladder)trans-113.8128.9173.3174-179.3-10491.4-10.5109.1I159 N161 E444 L506 V507 L514I159-R516 WeakPolarHBondContact O-CD 3.45Å; N161-R516 PolarHBondContact ND2-O 2.74Å; N161-R516 PolarHBondContact OD1-N 2.92Å; E444-R516 IonicContact OE1-CZ 3.66Å; E444-R516 IonicContact OE1-NH2 2.66Å; E444-R516 PolarHBondContact OE1-NH2 2.97Å; E444-R516 IonicContact OE2-CZ 3.21Å; E444-R516 IonicContact OE2-NE 3.77Å; E444-R516 IonicContact OE2-NH2 3.42Å; E444-R516 PolarHBondContact OE2-NH2 2.91Å; L506-R516 WeakPolarHBondContact O-CA 3.38Å; V507-R516 HydrophobicContact CG1-CB 4.38Å; V507-R516 HydrophobicContact CG2-CB 4.27Å; V507-R516 HydrophobicContact CG2-CG 4.1Å; V507-R516 VanDerWaalsContact CG2-CZ 3.48Å; L514-R516 HydrophobicContact CD1-CB 4.1Å
517V95.9Very high93.2Very high8 Ų826.5 Ų26.55%0.04812%0.123CC..EExtended strand (participates in β ladder)trans-122.3138.8168.3-65.80000108.9V413 A416 P417 C433 S505 L506V413-V517 HydrophobicContact CG1-CG1 4Å; V413-V517 HydrophobicContact CG2-CG1 3.77Å; A416-V517 HydrophobicContact CB-CG1 4.37Å; P417-V517 HydrophobicContact CG-CB 4.2Å; P417-V517 HydrophobicContact CG-CG2 3.96Å; C433-V517 HydrophobicContact CB-CG2 3.98Å; S505-V517 CarbonylContact C-O 3.57Å; S505-V517 WeakPolarHBondContact CA-O 3.4Å; L506-V517 HydrophobicContact CB-CG2 3.92Å; L506-V517 PolarHBondContact N-O 2.9Å; L506-V517 PolarHBondContact O-N 3.21Å
518S95.3Very high93.1Very high39 Ų3930.7 Ų30.727%0.27315%0.145SC..EExtended strand (participates in β ladder)trans-126.5139.6-176.4-59.30000110.8V504 S505V504-S518 CarbonylContact O-C 3.55Å; V504-S518 VanDerWaalsContact O-CA 3.25Å; V504-S518 WeakPolarHBondContact O-CA 3.11Å; S505-S518 PolarHBondContact OG-OG 3.17Å
519T95.6Very high93Very high1 Ų132.4 Ų32.41%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-127.8125.6176.1-640000108.9P417 P418 L421 F431 T503 V504 V521P417-T519 WeakPolarHBondContact CB-OG1 3.39Å; P417-T519 WeakPolarHBondContact CG-OG1 3.45Å; P418-T519 WeakPolarHBondContact O-CB 3.31Å; P418-T519 WeakPolarHBondContact O-CG2 3.34Å; P418-T519 PolarHBondContact O-OG1 2.93Å; L421-T519 HydrophobicContact CB-CG2 4.27Å; L421-T519 HydrophobicContact CD1-CG2 3.76Å; L421-T519 HydrophobicContact CG-CG2 3.86Å; F431-T519 HydrophobicContact CE1-CG2 4.05Å; F431-T519 HydrophobicContact CE2-CG2 4.49Å; F431-T519 HydrophobicContact CZ-CG2 4.01Å; T503-T519 WeakPolarHBondContact CA-O 3.22Å; V504-T519 PolarHBondContact N-O 3.18Å; V504-T519 PolarHBondContact O-N 3.25Å; T519-V521 HydrophobicContact CG2-CG2 4.22Å
520L94.1Very high93.1Very high8 Ų833.4 Ų33.44%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-81.2114.2168177.359.1000108.6Y24 P419 L420 L421 T501Y24-L520 HydrophobicContact CD1-CD1 4.36Å; Y24-L520 HydrophobicContact CG-CD1 4.16Å; Y24-L520 HydrophobicContact CG-CD2 4.33Å; P419-L520 PolarHBondContact O-N 3.33Å; L420-L520 CarbonylContact C-O 3.51Å; L420-L520 WeakPolarHBondContact CA-O 3.41Å; L420-L520 HydrophobicContact CD1-CB 4.17Å; L420-L520 HydrophobicContact CD1-CD2 4.04Å; L420-L520 HydrophobicContact CD1-CG 4.04Å; L421-L520 PolarHBondContact N-O 3.45Å; T501-L520 HydrophobicContact CG2-CD1 3.97Å
521V95.5Very high93.3Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-94.699.6173.5179.80000107.9V423 V429 F431 T501 H502 V504 T519 V523V423-V521 HydrophobicContact CG1-CG1 4.26Å; V429-V521 HydrophobicContact CB-CG1 4.39Å; V429-V521 HydrophobicContact CG1-CG1 4.1Å; V429-V521 HydrophobicContact CG1-CG2 4.2Å; V429-V521 HydrophobicContact CG2-CG1 3.78Å; F431-V521 HydrophobicContact CE1-CG2 3.92Å; T501-V521 WeakPolarHBondContact CA-O 3.27Å; T501-V521 WeakPolarHBondContact CG2-O 3.5Å; H502-V521 PolarHBondContact N-O 3.16Å; H502-V521 PolarHBondContact O-N 3.13Å; V504-V521 HydrophobicContact CG2-CG2 3.93Å; T519-V521 HydrophobicContact CG2-CG2 4.22Å; V521-V523 HydrophobicContact CG1-CG2 4.44Å
522R92.9Very high93.7Very high30 Ų3029.9 Ų29.911%0.11315%0.149CC..EExtended strand (participates in β ladder)trans-95.7116.3179.6-175.1174.9-179.3146.9-1.8110.4E22 L420 L421 L422 V423 T501 L524 S561E22-R522 IonicContact OE1-NH1 2.66Å; E22-R522 PolarHBondContact OE1-NH1 2.84Å; E22-R522 IonicContact OE2-CZ 2.67Å; E22-R522 IonicContact OE2-NH1 3.28Å; E22-R522 PolarHBondContact OE2-NH1 3.08Å; L420-R522 HydrophobicContact CD1-CB 4.24Å; L421-R522 PolarHBondContact O-N 2.9Å; L422-R522 HydrophobicContact CD2-CB 3.85Å; L422-R522 HydrophobicContact CD2-CG 4.24Å; V423-R522 PolarHBondContact N-O 2.87Å; T501-R522 HydrophobicContact CG2-CB 4.14Å; T501-R522 HydrophobicContact CG2-CG 4.26Å; R522-L524 HydrophobicContact CG-CD2 4.14Å; R522-S561 PolarHBondContact NH1-OG 2.83Å; R522-S561 PolarHBondContact NH2-OG 2.94Å; R522-S561 VanDerWaalsContact NH2-OG 3.09Å
523V94.8Very high94Very high3 Ų327 Ų272%0.01814%0.137CC..EExtended strand (participates in β ladder)trans-95.2119.5180-171.40000108V423 E425 L490 F492 P500 T501 V521V423-V523 HydrophobicContact CG1-CB 4.27Å; V423-V523 HydrophobicContact CG1-CG1 4.38Å; V423-V523 HydrophobicContact CG1-CG2 3.79Å; V423-V523 CarbonylContact O-C 3.5Å; V423-V523 WeakPolarHBondContact O-CA 3.09Å; E425-V523 HydrophobicContact CB-CG1 4.35Å; L490-V523 HydrophobicContact CB-CG1 4.19Å; L490-V523 HydrophobicContact CB-CG2 4.17Å; L490-V523 HydrophobicContact CD1-CG2 4.03Å; F492-V523 HydrophobicContact CE2-CB 4.46Å; F492-V523 HydrophobicContact CE2-CG1 4.12Å; F492-V523 WeakPolarHBondContact CE2-O 3.17Å; F492-V523 WeakPolarHBondContact CZ-O 3.1Å; P500-V523 HydrophobicContact CG-CB 4.07Å; P500-V523 HydrophobicContact CG-CG1 3.98Å; P500-V523 HydrophobicContact CG-CG2 4.02Å; T501-V523 PolarHBondContact OG1-N 3.22Å; V521-V523 HydrophobicContact CG1-CG2 4.44Å
524L93.6Very high94.2Very high1 Ų131.6 Ų31.61%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-95.5135.7-178.4-60177.9000109.4L422 V423 M424 E425 R522 Y559 T562 I620 V643L422-L524 HydrophobicContact CB-CD1 4.49Å; V423-L524 PolarHBondContact O-N 2.82Å; M424-L524 CarbonylContact C-O 3.59Å; M424-L524 HydrophobicContact SD-CB 3.86Å; M424-L524 HydrophobicContact SD-CD1 4.28Å; E425-L524 WeakPolarHBondContact CB-O 3.32Å; E425-L524 PolarHBondContact N-O 2.82Å; R522-L524 HydrophobicContact CG-CD2 4.14Å; L524-Y559 HydrophobicContact CB-CD1 4.36Å; L524-Y559 HydrophobicContact CB-CE1 4.02Å; L524-Y559 HydrophobicContact CD1-CD1 4.25Å; L524-Y559 HydrophobicContact CD2-CD1 4.3Å; L524-T562 HydrophobicContact CD1-CG2 4.17Å; L524-T562 HydrophobicContact CD2-CG2 4.45Å; L524-I620 HydrophobicContact CD1-CG2 4.21Å; L524-V643 HydrophobicContact CD1-CG1 4.14Å
525P92.8Very high94.4Very high22 Ų2237.5 Ų37.514%0.14319%0.188CC..PPolyproline II helixtrans-67.5159.9179.230.8-33.7000110.1M424 F492 P558 Y559M424-P525 WeakPolarHBondContact CE-O 3.32Å; F492-P525 HydrophobicContact CD1-CB 4.32Å; F492-P525 HydrophobicContact CD2-CB 4.15Å; F492-P525 HydrophobicContact CE1-CB 4.04Å; F492-P525 HydrophobicContact CE1-CG 4.32Å; F492-P525 HydrophobicContact CE2-CB 3.87Å; F492-P525 HydrophobicContact CE2-CG 4.47Å; F492-P525 HydrophobicContact CG-CB 4.38Å; F492-P525 HydrophobicContact CZ-CB 3.82Å; F492-P525 HydrophobicContact CZ-CG 4.04Å; P525-P558 HydrophobicContact CG-CB 3.48Å; P525-P558 VanDerWaalsContact CG-CB 3.48Å; P525-P558 HydrophobicContact CG-CG 3.7Å; P525-Y559 HydrophobicContact CG-CE1 4.5Å; P525-Y559 PolarHBondContact O-OH 2.85Å
526R90.6Very high94.4Very high126 Ų12641.7 Ų41.748%0.47520%0.204SC..PPolyproline II helixtrans-58.1150.6167.1-69.1-173.2-141.1-93.8-8.6110.7N528 Y559R526-N528 PolarHBondContact O-N 2.8Å; R526-Y559 PolarHBondContact O-OH 2.79Å
527I91.2Very high94.4Very high11 Ų1143.4 Ų43.46%0.05622%0.219CC..PPolyproline II helixtrans-59.3125.4178.8-67.2-170.1000110.2I529 I554 Y559 W618 Y644 M656I527-I529 HydrophobicContact CG2-CG1 4.16Å; I527-I554 HydrophobicContact CD1-CD1 4.26Å; I527-I554 HydrophobicContact CG2-CB 3.92Å; I527-I554 HydrophobicContact CG2-CD1 4.14Å; I527-I554 HydrophobicContact CG2-CG2 3.57Å; I527-Y559 WeakPolarHBondContact CA-OH 3.08Å; I527-Y559 PolarHBondContact N-OH 2.98Å; I527-W618 HydrophobicContact CD1-CB 4.13Å; I527-Y644 HydrophobicContact CD1-CD1 3.84Å; I527-Y644 HydrophobicContact CD1-CE1 3.16Å; I527-Y644 HydrophobicContact CG1-CD1 4.5Å; I527-Y644 HydrophobicContact CG1-CE1 3.92Å; I527-M656 HydrophobicContact CG2-CE 4.23Å
528N91.5Very high94.2Very high87 Ų8744.3 Ų44.347%0.46523%0.225SC..  trans-95.3113169.4-177.325.6000109.2R526 I554 D555R526-N528 PolarHBondContact O-N 2.8Å; N528-I554 VanDerWaalsContact O-CA 3.32Å; N528-I554 WeakPolarHBondContact O-CA 3.5Å; N528-I554 WeakPolarHBondContact O-CB 3.44Å; N528-D555 HydrophobicContact CB-CB 4.1Å; N528-D555 PolarHBondContact O-N 2.84Å
529I93.6Very high94Very high36 Ų3645.6 Ų45.619%0.18523%0.231CC..EExtended strand (participates in β ladder)trans-87119.9-177.8-47.3177.4000108.4I527 N531 A532 I652 L655 M656I527-I529 HydrophobicContact CG2-CG1 4.16Å; I529-N531 WeakPolarHBondContact CG2-O 3.3Å; I529-A532 HydrophobicContact CG2-CB 3.85Å; I529-I652 HydrophobicContact CD1-CD1 4.12Å; I529-I652 HydrophobicContact CD1-CG2 4.24Å; I529-L655 HydrophobicContact CD1-CB 3.83Å; I529-L655 HydrophobicContact CD1-CD1 3.95Å; I529-M656 HydrophobicContact CB-CE 4.44Å; I529-M656 HydrophobicContact CD1-CE 3.52Å; I529-M656 HydrophobicContact CD1-SD 4.27Å; I529-M656 HydrophobicContact CG1-CE 3.53Å; I529-M656 HydrophobicContact CG2-CE 4.18Å
530L95.7Very high93.6Very high99 Ų9950.7 Ų50.752%0.51826%0.263SS..EExtended strand (participates in β ladder)trans-85.9-46.4175-57.9-179.8000110.7V553L530-V553 WeakPolarHBondContact CA-O 3.39Å; L530-V553 HydrophobicContact CB-CB 4.21Å; L530-V553 HydrophobicContact CB-CG1 4.16Å; L530-V553 HydrophobicContact CD1-CG1 4.08Å; L530-V553 PolarHBondContact N-O 3.46Å
531N96.2Very high93.1Very high58 Ų5856.9 Ų56.931%0.3130%0.296SS..EExtended strand (participates in β ladder)trans-126.8121.6173.2-64.5-1.9000109.1I529 D551 C552 V553I529-N531 WeakPolarHBondContact CG2-O 3.3Å; N531-D551 HydrophobicContact CB-CB 4.45Å; N531-D551 PolarHBondContact ND2-OD2 2.88Å; N531-C552 WeakPolarHBondContact O-CA 3.41Å; N531-V553 HydrophobicContact CB-CB 3.99Å; N531-V553 HydrophobicContact CB-CG2 3.99Å; N531-V553 PolarHBondContact N-O 3.39Å; N531-V553 PolarHBondContact O-N 2.96Å; N531-V553 VanDerWaalsContact O-N 3.12Å
532A95.1Very high92.8Very high11 Ų1156.9 Ų56.99%0.09130%0.296CS..  trans-100.1128.2-17800000111.2I529 K534 D535 Y536I529-A532 HydrophobicContact CG2-CB 3.85Å; A532-K534 PolarHBondContact O-N 3.38Å; A532-K534 VanDerWaalsContact O-N 3.13Å; A532-D535 WeakPolarHBondContact O-CB 3.12Å; A532-D535 PolarHBondContact O-N 3.19Å; A532-Y536 WeakPolarHBondContact O-CD2 3.26Å; A532-Y536 WeakPolarHBondContact O-CE2 3.29Å
533P96.2Very high92.7Very high0 Ų058.3 Ų58.30%031%0.305CS..G310 helixtrans-52.1-36.2175.8-29.333.8000113.8D535 Y536 C552 W568 C616 A658P533-D535 PolarHBondContact O-N 3.31Å; P533-D535 VanDerWaalsContact O-N 3.1Å; P533-Y536 WeakPolarHBondContact O-CB 3.45Å; P533-Y536 PolarHBondContact O-N 3.45Å; P533-C552 HydrophobicContact CG-CB 3.86Å; P533-W568 HydrophobicContact CB-CH2 4.39Å; P533-W568 HydrophobicContact CB-CZ3 4.35Å; P533-W568 HydrophobicContact CG-CH2 4.03Å; P533-W568 HydrophobicContact CG-CZ3 4.22Å; P533-C616 HydrophobicContact CG-CB 3.57Å; P533-A658 HydrophobicContact CB-CB 4.21Å; P533-A658 WeakPolarHBondContact O-CB 3.38Å
534K95.6Very high92.5Very high102 Ų10258.6 Ų58.644%0.44331%0.307SS..G310 helixtrans-51.4-35.1178.1-177.4-176.8177.6-176.40112.9A532 Y536 S537 L655A532-K534 PolarHBondContact O-N 3.38Å; A532-K534 VanDerWaalsContact O-N 3.13Å; K534-Y536 PolarHBondContact O-N 2.81Å; K534-S537 VanDerWaalsContact O-CB 3.32Å; K534-S537 WeakPolarHBondContact O-CB 3.46Å; K534-S537 PolarHBondContact O-N 3.4Å; K534-S537 VanDerWaalsContact O-N 3.13Å; K534-S537 PolarHBondContact O-OG 3.44Å; K534-L655 WeakPolarHBondContact CB-O 3.3Å; K534-L655 HydrophobicContact CD-CD2 4.02Å; K534-L655 PolarHBondContact N-O 2.66Å
535D95.5Very high92.2Very high131 Ų13161 Ų6170%0.70132%0.324SS*.G310 helixtrans-71.4-14.1-178.3-58.5-28.8000112.8A532 P533A532-D535 WeakPolarHBondContact O-CB 3.12Å; A532-D535 PolarHBondContact O-N 3.19Å; P533-D535 PolarHBondContact O-N 3.31Å; P533-D535 VanDerWaalsContact O-N 3.1Å
536Y94.8Very high92.1Very high88 Ų8863.2 Ų63.235%0.34534%0.337SS..G310 helixtrans-99.712175.2-55.1-92.3000112.5A532 P533 K534 C538 T549 F550 D551A532-Y536 WeakPolarHBondContact O-CD2 3.26Å; A532-Y536 WeakPolarHBondContact O-CE2 3.29Å; P533-Y536 WeakPolarHBondContact O-CB 3.45Å; P533-Y536 PolarHBondContact O-N 3.45Å; K534-Y536 PolarHBondContact O-N 2.81Å; Y536-C538 PolarHBondContact O-N 3.21Å; Y536-T549 VanDerWaalsContact CD1-O 3.31Å; Y536-T549 WeakPolarHBondContact CD1-O 3.33Å; Y536-F550 WeakPolarHBondContact O-CE1 3.4Å; Y536-D551 HydrophobicContact CE1-CB 4.33Å; Y536-D551 HydrophobicContact CE2-CB 3.84Å
537S95Very high92.2Very high50 Ų5060.4 Ų60.435%0.3534%0.337SS..  trans-61.2135.8178.1-61.20000111.2K534 A658 A659K534-S537 VanDerWaalsContact O-CB 3.32Å; K534-S537 WeakPolarHBondContact O-CB 3.46Å; K534-S537 PolarHBondContact O-N 3.4Å; K534-S537 VanDerWaalsContact O-N 3.13Å; K534-S537 PolarHBondContact O-OG 3.44Å; S537-A658 WeakPolarHBondContact OG-CA 3.24Å; S537-A659 CarbonylContact C-O 3.53Å; S537-A659 VanDerWaalsContact CA-O 3.27Å; S537-A659 WeakPolarHBondContact CA-O 2.96Å; S537-A659 WeakPolarHBondContact CB-O 3.38Å; S537-A659 PolarHBondContact OG-N 2.9Å
538C92.8Very high92.3Very high27 Ų2760.9 Ų60.918%0.18234%0.338CS..BIsolated β-bridgetrans-134.7103.7-174.9-1770000109Y536 C542 H548 A659 L660 D661Y536-C538 PolarHBondContact O-N 3.21Å; C538-C542 HydrophobicContact CB-CB 4.18Å; C538-C542 WeakPolarHBondContact CB-SG 3.34Å; C538-C542 PolarHBondContact O-SG 2.78Å; C538-C542 VanDerWaalsContact O-SG 3.35Å; C538-C542 WeakPolarHBondContact SG-CA 3.2Å; C538-C542 WeakPolarHBondContact SG-CB 3.1Å; C538-C542 CovalentContact SG-SG 2.03Å; C538-C542 PolarHBondContact SG-SG 2.76Å; C538-H548 PolarHBondContact SG-CE1 2.93Å; C538-A659 PolarHBondContact N-O 3.11Å; C538-L660 HydrophobicContact CB-CD1 4.16Å; C538-L660 CarbonylContact O-C 3.47Å; C538-L660 VanDerWaalsContact O-CA 3.28Å; C538-L660 WeakPolarHBondContact O-CA 3.48Å; C538-D661 PolarHBondContact O-N 3.24Å
539T91.3Very high92.5Very high67 Ų6759.4 Ų59.441%0.41133%0.332SS..  trans-128.1-23.7-175.655.40000113.7A659 D661 Q663T539-A659 HydrophobicContact CG2-CB 3.8Å; T539-D661 HydrophobicContact CG2-CB 4.41Å; T539-Q663 PolarHBondContact O-NE2 3.07Å
540T87Confident92.6Very high108 Ų10857.7 Ų57.766%0.66332%0.324SS*.SBendtrans-112.6136.7175.253.10000109.3C542T540-C542 PolarHBondContact O-N 2.91Å; T540-C542 VanDerWaalsContact O-N 3.15Å
541D83.4Confident92.6Very high138 Ų13853.6 Ų53.674%0.73830%0.302SS*.SBendtrans50.635-177.2-54.7-31.8000113.5L543D541-L543 PolarHBondContact O-N 2.94Å
542C90.2Very high92.7Very high0 Ų050.9 Ų50.90%029%0.288CS..  trans-85.578.6-174.6-157.20000111.2C538 T540 H548 L660 D661 L662 Q663C538-C542 HydrophobicContact CB-CB 4.18Å; C538-C542 WeakPolarHBondContact CB-SG 3.34Å; C538-C542 PolarHBondContact O-SG 2.78Å; C538-C542 VanDerWaalsContact O-SG 3.35Å; C538-C542 WeakPolarHBondContact SG-CA 3.2Å; C538-C542 WeakPolarHBondContact SG-CB 3.1Å; C538-C542 CovalentContact SG-SG 2.03Å; C538-C542 PolarHBondContact SG-SG 2.76Å; T540-C542 PolarHBondContact O-N 2.91Å; T540-C542 VanDerWaalsContact O-N 3.15Å; C542-H548 PolarHBondContact SG-CE1 2.68Å; C542-L660 VanDerWaalsContact SG-CD1 3.56Å; C542-D661 WeakPolarHBondContact CB-O 3.34Å; C542-L662 WeakPolarHBondContact O-CA 3.31Å; C542-Q663 PolarHBondContact O-N 3.44Å
543L90.6Very high92.7Very high59 Ų5952 Ų5231%0.30929%0.293SS..BIsolated β-bridgetrans-66.5137.7-169.9-54.3177.2000112.7D541 S545 V546 H548 D665D541-L543 PolarHBondContact O-N 2.94Å; L543-S545 VanDerWaalsContact C-N 3.27Å; L543-S545 PolarHBondContact O-N 3.24Å; L543-V546 HydrophobicContact CB-CG2 4.23Å; L543-V546 WeakPolarHBondContact O-CG2 3.48Å; L543-H548 PolarHBondContact O-NE2 2.88Å; L543-D665 HydrophobicContact CD2-CB 4.42Å
544N89.1Confident92.5Very high9 Ų952.4 Ų52.45%0.04830%0.295CS..THydrogen-bonded Turntrans-71.6-19.717469.7-43.9000113.6V546 P599 V600 T606 Q663 D665N544-V546 VanDerWaalsContact C-N 3.29Å; N544-V546 PolarHBondContact O-N 2.83Å; N544-P599 CarbonylContact O-C 3.44Å; N544-P599 WeakPolarHBondContact O-CA 3.45Å; N544-V600 HydrophobicContact CB-CB 4.44Å; N544-V600 PolarHBondContact ND2-O 3.11Å; N544-V600 PolarHBondContact O-N 3.04Å; N544-T606 HydrophobicContact CB-CG2 3.91Å; N544-Q663 PolarHBondContact N-O 2.9Å; N544-Q663 PolarHBondContact OD1-O 2.81Å; N544-D665 WeakPolarHBondContact OD1-CB 3.37Å; N544-D665 PolarHBondContact OD1-N 3.16Å
545S87.8Confident92.4Very high52 Ų5249.9 Ų49.936%0.36429%0.287SS..THydrogen-bonded Turntrans-76.5-11.1-178.555.70000114L543 D665L543-S545 VanDerWaalsContact C-N 3.27Å; L543-S545 PolarHBondContact O-N 3.24Å; S545-D665 PolarHBondContact OG-OD2 2.71Å
546V90.7Very high92.1Very high68 Ų6845.3 Ų45.341%0.41226%0.264SS..SBendtrans-114.8155.9-179-57.50000111.9L543 N544 H548L543-V546 HydrophobicContact CB-CG2 4.23Å; L543-V546 WeakPolarHBondContact O-CG2 3.48Å; N544-V546 VanDerWaalsContact C-N 3.29Å; N544-V546 PolarHBondContact O-N 2.83Å; V546-H548 PolarHBondContact O-CD2 2.79Å
547S92.4Very high91.7Very high68 Ų6846.8 Ų46.848%0.47628%0.278SS..  trans-79.2139.3173.854.10000111.4I597S547-I597 CarbonylContact C-O 3.58Å; S547-I597 VanDerWaalsContact CA-O 3.29Å; S547-I597 WeakPolarHBondContact CA-O 3.42Å
548H94Very high91.3Very high21 Ų2146.2 Ų46.210%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-111.1116.1176.8-64.7-82.2000109.3C538 C542 L543 V546 F550 I596 I597 L662C538-H548 PolarHBondContact SG-CE1 2.93Å; C542-H548 PolarHBondContact SG-CE1 2.68Å; L543-H548 PolarHBondContact O-NE2 2.88Å; V546-H548 PolarHBondContact O-CD2 2.79Å; H548-F550 HydrophobicContact CB-CE2 4.14Å; H548-F550 HydrophobicContact CB-CZ 4.43Å; H548-I596 WeakPolarHBondContact O-CA 3.34Å; H548-I597 HydrophobicContact CB-CB 4.4Å; H548-I597 PolarHBondContact N-O 3.08Å; H548-I597 PolarHBondContact O-N 3.22Å; H548-L662 VanDerWaalsContact CD2-CD2 3.48Å; H548-L662 WeakPolarHBondContact CD2-CD2 3.28Å; H548-L662 WeakPolarHBondContact NE2-CD2 3.42Å
549T95.3Very high91.1Very high55 Ų5545 Ų4534%0.33727%0.265SS..EExtended strand (participates in β ladder)trans-110.3123.4-177.5-57.10000110.2Y536 K594 L595 I596Y536-T549 VanDerWaalsContact CD1-O 3.31Å; Y536-T549 WeakPolarHBondContact CD1-O 3.33Å; T549-K594 HydrophobicContact CG2-CB 4.2Å; T549-K594 HydrophobicContact CG2-CD 4.04Å; T549-K594 HydrophobicContact CG2-CG 4.38Å; T549-L595 CarbonylContact C-O 3.6Å; T549-L595 WeakPolarHBondContact CA-O 3.16Å; T549-I596 HydrophobicContact CG2-CG1 3.98Å
550F96.3Very high90.7Very high1 Ų146 Ų460%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-104.5135.2172.9-54.4-90.7000108.4Y536 H548 W568 K594 L595 I597 V614 A658 L660Y536-F550 WeakPolarHBondContact O-CE1 3.4Å; H548-F550 HydrophobicContact CB-CE2 4.14Å; H548-F550 HydrophobicContact CB-CZ 4.43Å; F550-W568 HydrophobicContact CB-CH2 3.67Å; F550-W568 HydrophobicContact CB-CZ3 3.98Å; F550-K594 CarbonylContact O-C 3.6Å; F550-K594 WeakPolarHBondContact O-CA 3.35Å; F550-L595 HydrophobicContact CB-CB 4.41Å; F550-L595 HydrophobicContact CD2-CD2 4.43Å; F550-L595 PolarHBondContact N-O 2.95Å; F550-L595 PolarHBondContact O-N 3.43Å; F550-I597 HydrophobicContact CE2-CD1 3.84Å; F550-I597 HydrophobicContact CE2-CG1 4.32Å; F550-V614 HydrophobicContact CB-CG1 4.49Å; F550-V614 HydrophobicContact CD1-CB 4.35Å; F550-V614 HydrophobicContact CD1-CG1 4.29Å; F550-V614 HydrophobicContact CD2-CG1 3.98Å; F550-V614 HydrophobicContact CD2-CG2 4.48Å; F550-V614 HydrophobicContact CE1-CB 4.29Å; F550-V614 HydrophobicContact CE1-CG2 4.17Å; F550-V614 HydrophobicContact CE2-CG1 4.32Å; F550-V614 HydrophobicContact CE2-CG2 3.99Å; F550-V614 HydrophobicContact CG-CG1 3.98Å; F550-V614 HydrophobicContact CZ-CB 4.38Å; F550-V614 HydrophobicContact CZ-CG2 3.82Å; F550-A658 HydrophobicContact CD1-CB 3.48Å; F550-A658 VanDerWaalsContact CD1-CB 3.48Å; F550-A658 HydrophobicContact CE1-CB 3.5Å; F550-L660 HydrophobicContact CZ-CB 4.26Å; F550-L660 HydrophobicContact CZ-CD1 4.2Å; F550-L660 HydrophobicContact CZ-CD2 4.34Å
551D96.2Very high90.3Very high13 Ų1341.8 Ų41.87%0.0724%0.24CC..EExtended strand (participates in β ladder)trans-117.1149.9175.1-159.56.9000110.1N531 Y536 V553 T593 K594N531-D551 HydrophobicContact CB-CB 4.45Å; N531-D551 PolarHBondContact ND2-OD2 2.88Å; Y536-D551 HydrophobicContact CE1-CB 4.33Å; Y536-D551 HydrophobicContact CE2-CB 3.84Å; D551-V553 WeakPolarHBondContact OD1-CG2 3.35Å; D551-T593 WeakPolarHBondContact OD1-CB 3.34Å; D551-T593 PolarHBondContact OD1-OG1 2.87Å; D551-K594 HydrophobicContact CB-CG 4.16Å; D551-K594 WeakPolarHBondContact OD1-CG 3.5Å
552C96.4Very high90.5Very high0 Ų035.8 Ų35.80%021%0.208CC..  trans-147.998.5-177.8-176.60000109.6N531 P533 W568 T593 C616 W618N531-C552 WeakPolarHBondContact O-CA 3.41Å; P533-C552 HydrophobicContact CG-CB 3.86Å; C552-W568 HydrophobicContact CB-CH2 3.72Å; C552-W568 HydrophobicContact CB-CZ2 3.59Å; C552-T593 PolarHBondContact N-O 3.44Å; C552-T593 WeakPolarHBondContact O-CB 3.14Å; C552-C616 HydrophobicContact CB-CB 3.58Å; C552-C616 WeakPolarHBondContact CB-SG 3.35Å; C552-C616 WeakPolarHBondContact SG-CB 3.39Å; C552-C616 CovalentContact SG-SG 2.03Å; C552-C616 PolarHBondContact SG-SG 3.37Å; C552-W618 PolarHBondContact SG-NE1 2.75Å
553V95.2Very high90.4Very high35 Ų3538.2 Ų38.221%0.21222%0.217CC..EExtended strand (participates in β ladder)trans-124.9130.4-175.4-170.40000108.5L530 N531 D551 T593L530-V553 WeakPolarHBondContact CA-O 3.39Å; L530-V553 HydrophobicContact CB-CB 4.21Å; L530-V553 HydrophobicContact CB-CG1 4.16Å; L530-V553 HydrophobicContact CD1-CG1 4.08Å; L530-V553 PolarHBondContact N-O 3.46Å; N531-V553 HydrophobicContact CB-CB 3.99Å; N531-V553 HydrophobicContact CB-CG2 3.99Å; N531-V553 PolarHBondContact N-O 3.39Å; N531-V553 PolarHBondContact O-N 2.96Å; N531-V553 VanDerWaalsContact O-N 3.12Å; D551-V553 WeakPolarHBondContact OD1-CG2 3.35Å; V553-T593 HydrophobicContact CG2-CG2 4.1Å
554I93.8Very high90.3Very high8 Ų838 Ų384%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-120.5159173.570.1168000109.8I527 N528 T556 Y559 W618 M656I527-I554 HydrophobicContact CD1-CD1 4.26Å; I527-I554 HydrophobicContact CG2-CB 3.92Å; I527-I554 HydrophobicContact CG2-CD1 4.14Å; I527-I554 HydrophobicContact CG2-CG2 3.57Å; N528-I554 VanDerWaalsContact O-CA 3.32Å; N528-I554 WeakPolarHBondContact O-CA 3.5Å; N528-I554 WeakPolarHBondContact O-CB 3.44Å; I554-T556 HydrophobicContact CD1-CG2 4.37Å; I554-T556 HydrophobicContact CG1-CG2 3.84Å; I554-T556 PolarHBondContact O-N 3Å; I554-Y559 HydrophobicContact CD1-CE2 4.41Å; I554-W618 HydrophobicContact CD1-CD2 3.5Å; I554-W618 HydrophobicContact CD1-CE3 3.42Å; I554-W618 VanDerWaalsContact CD1-CE3 3.42Å; I554-W618 HydrophobicContact CD1-CG 4.06Å; I554-W618 HydrophobicContact CD1-CH2 4.09Å; I554-W618 HydrophobicContact CD1-CZ2 4.18Å; I554-W618 HydrophobicContact CD1-CZ3 3.71Å; I554-W618 HydrophobicContact CG1-CD2 3.99Å; I554-W618 HydrophobicContact CG1-CE3 4.06Å; I554-W618 HydrophobicContact CG1-CH2 3.8Å; I554-W618 HydrophobicContact CG1-CZ2 3.73Å; I554-W618 HydrophobicContact CG1-CZ3 3.95Å; I554-W618 HydrophobicContact CG2-CD2 4.46Å; I554-W618 HydrophobicContact CG2-CZ2 4.5Å; I554-M656 HydrophobicContact CG2-CE 3.83Å
555D91.9Very high90.2Very high49 Ų4938.4 Ų38.426%0.26222%0.217SC..  trans-69.3112.1165.7-177.34.6000109.5N528 D557 Y559N528-D555 HydrophobicContact CB-CB 4.1Å; N528-D555 PolarHBondContact O-N 2.84Å; D555-D557 WeakPolarHBondContact OD1-CB 3.4Å; D555-D557 PolarHBondContact OD1-N 2.76Å; D555-D557 VanDerWaalsContact OD1-N 3.1Å; D555-Y559 WeakPolarHBondContact O-CE2 3.3Å
556T89.6Confident90.4Very high36 Ų3638 Ų3822%0.22121%0.209CC..  trans-95.7-8.9-177.258.90000113.3I554 P558 Y559 Q560 F564 W618I554-T556 HydrophobicContact CD1-CG2 4.37Å; I554-T556 HydrophobicContact CG1-CG2 3.84Å; I554-T556 PolarHBondContact O-N 3Å; T556-P558 VanDerWaalsContact C-CD 3.44Å; T556-Y559 PolarHBondContact O-N 3.42Å; T556-Q560 PolarHBondContact O-N 3.16Å; T556-Q560 PolarHBondContact OG1-NE2 3.01Å; T556-F564 HydrophobicContact CG2-CE2 3.87Å; T556-F564 HydrophobicContact CG2-CZ 4.02Å; T556-W618 HydrophobicContact CG2-CH2 4.07Å; T556-W618 HydrophobicContact CG2-CZ3 4.18Å
557D86.8Confident90.4Very high119 Ų11935.3 Ų35.364%0.63619%0.193SC*.G310 helixtrans-55.5-41.8-175.1-72.8-6.7000113.3D555 Y559 Q560D555-D557 WeakPolarHBondContact OD1-CB 3.4Å; D555-D557 PolarHBondContact OD1-N 2.76Å; D555-D557 VanDerWaalsContact OD1-N 3.1Å; D557-Y559 PolarHBondContact O-N 2.95Å; D557-Q560 WeakPolarHBondContact O-CG 3.48Å
558P86.9Confident90.4Very high38 Ų3832.7 Ų32.725%0.24717%0.173CC..G310 helixtrans-65.7-21.6178.7-21.934.6000114.3P525 T556P525-P558 HydrophobicContact CG-CB 3.48Å; P525-P558 VanDerWaalsContact CG-CB 3.48Å; P525-P558 HydrophobicContact CG-CG 3.7Å; T556-P558 VanDerWaalsContact C-CD 3.44Å
559Y88.4Confident90.4Very high2 Ų232.1 Ų32.11%0.00817%0.17CC..G310 helixtrans-105.63.7-169.5-46.2-62.1000113.4L524 P525 R526 I527 I554 D555 T556 D557 S561 T562 F564 I620L524-Y559 HydrophobicContact CB-CD1 4.36Å; L524-Y559 HydrophobicContact CB-CE1 4.02Å; L524-Y559 HydrophobicContact CD1-CD1 4.25Å; L524-Y559 HydrophobicContact CD2-CD1 4.3Å; P525-Y559 HydrophobicContact CG-CE1 4.5Å; P525-Y559 PolarHBondContact O-OH 2.85Å; R526-Y559 PolarHBondContact O-OH 2.79Å; I527-Y559 WeakPolarHBondContact CA-OH 3.08Å; I527-Y559 PolarHBondContact N-OH 2.98Å; I554-Y559 HydrophobicContact CD1-CE2 4.41Å; D555-Y559 WeakPolarHBondContact O-CE2 3.3Å; T556-Y559 PolarHBondContact O-N 3.42Å; D557-Y559 PolarHBondContact O-N 2.95Å; Y559-S561 PolarHBondContact O-N 2.76Å; Y559-S561 VanDerWaalsContact O-N 3.08Å; Y559-T562 WeakPolarHBondContact O-CA 3.46Å; Y559-T562 WeakPolarHBondContact O-CB 3.17Å; Y559-T562 PolarHBondContact O-N 2.83Å; Y559-T562 PolarHBondContact O-OG1 2.89Å; Y559-F564 WeakPolarHBondContact O-CD1 3.36Å; Y559-I620 HydrophobicContact CD1-CD1 3.61Å; Y559-I620 HydrophobicContact CD2-CD1 4.44Å; Y559-I620 HydrophobicContact CE1-CD1 3.64Å; Y559-I620 HydrophobicContact CE2-CD1 4.48Å; Y559-I620 HydrophobicContact CG-CD1 4.04Å
560Q83.4Confident90.3Very high86 Ų8629.6 Ų29.640%0.40215%0.154SC..THydrogen-bonded Turntrans-56.2-29.6-174.7-68.7-68.7-25.200114.2T20 T556 D557 T562T20-Q560 HydrophobicContact CG2-CB 3.52Å; T20-Q560 WeakPolarHBondContact CG2-O 3.38Å; T556-Q560 PolarHBondContact O-N 3.16Å; T556-Q560 PolarHBondContact OG1-NE2 3.01Å; D557-Q560 WeakPolarHBondContact O-CG 3.48Å; Q560-T562 VanDerWaalsContact C-N 3.27Å; Q560-T562 PolarHBondContact O-N 3.37Å
561S77.9Confident90Very high21 Ų2133.7 Ų33.715%0.14718%0.176CC..THydrogen-bonded Turntrans-84.32.7176.671.30000114.2E22 R522 Y559E22-S561 WeakPolarHBondContact OE1-CB 3.21Å; R522-S561 PolarHBondContact NH1-OG 2.83Å; R522-S561 PolarHBondContact NH2-OG 2.94Å; R522-S561 VanDerWaalsContact NH2-OG 3.09Å; Y559-S561 PolarHBondContact O-N 2.76Å; Y559-S561 VanDerWaalsContact O-N 3.08Å
562T87.4Confident89.6Confident12 Ų1235.4 Ų35.47%0.07420%0.197CC..SBendtrans-111.1166.1-178.772.80000109.1L422 L524 Y559 Q560 I620L422-T562 HydrophobicContact CD1-CG2 3.86Å; L524-T562 HydrophobicContact CD1-CG2 4.17Å; L524-T562 HydrophobicContact CD2-CG2 4.45Å; Y559-T562 WeakPolarHBondContact O-CA 3.46Å; Y559-T562 WeakPolarHBondContact O-CB 3.17Å; Y559-T562 PolarHBondContact O-N 2.83Å; Y559-T562 PolarHBondContact O-OG1 2.89Å; Q560-T562 VanDerWaalsContact C-N 3.27Å; Q560-T562 PolarHBondContact O-N 3.37Å; T562-I620 HydrophobicContact CG2-CG2 4.21Å; T562-I620 WeakPolarHBondContact OG1-CG2 3.4Å
563Y87.7Confident89.2Confident51 Ų5138.3 Ų38.320%0.221%0.212CC..EExtended strand (participates in β ladder)trans-92.8112.9167-179.6-100000108.4V565 F621 V625 S627 A630Y563-V565 HydrophobicContact CE1-CB 4.4Å; Y563-F621 HydrophobicContact CD1-CB 4.16Å; Y563-F621 AromaticContact CD1-CD2 3.76Å; Y563-F621 HydrophobicContact CD1-CD2 3.76Å; Y563-F621 HydrophobicContact CD1-CG 4.34Å; Y563-F621 HydrophobicContact CE1-CD2 4.14Å; Y563-F621 PolarHBondContact N-O 3.39Å; Y563-F621 VanDerWaalsContact N-O 3.13Å; Y563-F621 WeakPolarHBondContact O-CA 3.37Å; Y563-F621 WeakPolarHBondContact O-CB 3.5Å; Y563-F621 PolarHBondContact O-N 2.9Å; Y563-V625 HydrophobicContact CD1-CB 4.19Å; Y563-V625 HydrophobicContact CD1-CG1 3.94Å; Y563-V625 HydrophobicContact CE1-CG1 4.4Å; Y563-S627 WeakPolarHBondContact OH-CA 3.44Å; Y563-S627 WeakPolarHBondContact OH-CB 3.29Å; Y563-A630 HydrophobicContact CD1-CB 4.33Å; Y563-A630 HydrophobicContact CE1-CB 3.43Å; Y563-A630 VanDerWaalsContact CE1-CB 3.43Å
564F88.9Confident88.9Confident55 Ų5537.5 Ų37.524%0.24121%0.208CC..EExtended strand (participates in β ladder)trans-120.9149.6176.760.9-99.7000111.2T556 Y559 W618 R619 I620T556-F564 HydrophobicContact CG2-CE2 3.87Å; T556-F564 HydrophobicContact CG2-CZ 4.02Å; Y559-F564 WeakPolarHBondContact O-CD1 3.36Å; F564-W618 HydrophobicContact CD2-CE3 4.42Å; F564-W618 AromaticContact CD2-CZ3 3.67Å; F564-W618 HydrophobicContact CD2-CZ3 3.67Å; F564-W618 HydrophobicContact CE2-CZ3 4.11Å; F564-R619 VanDerWaalsContact CA-O 3.24Å; F564-R619 WeakPolarHBondContact CA-O 3.31Å; F564-I620 HydrophobicContact CB-CG1 4.34Å
565V88.1Confident88.7Confident17 Ų1738.3 Ų38.310%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-141.1139.9-179.6670000110.6Y563 T567 R619 F621 A630Y563-V565 HydrophobicContact CE1-CB 4.4Å; V565-T567 HydrophobicContact CG2-CG2 4.21Å; V565-R619 HydrophobicContact CG1-CB 4.13Å; V565-R619 PolarHBondContact N-O 2.78Å; V565-R619 PolarHBondContact O-N 2.89Å; V565-F621 HydrophobicContact CG1-CE2 3.86Å; V565-A630 HydrophobicContact CG1-CB 4.46Å
566Q90.3Very high88.2Confident43 Ų4339.9 Ų39.920%0.20123%0.228CC..EExtended strand (participates in β ladder)trans-103.2131.5170.4-177.6-168.7-20.100108.8T593 W618Q566-T593 PolarHBondContact NE2-O 3.45Å; Q566-T593 VanDerWaalsContact NE2-O 3.09Å; Q566-W618 HydrophobicContact CB-CD2 4.03Å; Q566-W618 HydrophobicContact CB-CE3 4.18Å; Q566-W618 HydrophobicContact CB-CH2 3.86Å; Q566-W618 HydrophobicContact CB-CZ2 3.67Å; Q566-W618 HydrophobicContact CB-CZ3 4.12Å; Q566-W618 HydrophobicContact CG-CD2 4.29Å; Q566-W618 HydrophobicContact CG-CH2 4.47Å; Q566-W618 HydrophobicContact CG-CZ2 3.78Å; Q566-W618 VanDerWaalsContact OE1-CZ2 3.25Å
567T90.8Very high87.8Confident12 Ų1242.8 Ų42.87%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-132.9158.1173.554.80000110.4V565 R617 R619V565-T567 HydrophobicContact CG2-CG2 4.21Å; T567-R617 PolarHBondContact N-O 3.07Å; T567-R617 PolarHBondContact O-N 2.9Å; T567-R617 PolarHBondContact OG1-O 3.15Å; T567-R619 PolarHBondContact OG1-NH1 2.94Å
568W94Very high87.7Confident13 Ų1338 Ų385%0.04921%0.212CC..EExtended strand (participates in β ladder)trans-111.8140.9175.3-73.3100000110.5P533 F550 C552 S574 V575 T593 L595 V614 T615 C616P533-W568 HydrophobicContact CB-CH2 4.39Å; P533-W568 HydrophobicContact CB-CZ3 4.35Å; P533-W568 HydrophobicContact CG-CH2 4.03Å; P533-W568 HydrophobicContact CG-CZ3 4.22Å; F550-W568 HydrophobicContact CB-CH2 3.67Å; F550-W568 HydrophobicContact CB-CZ3 3.98Å; C552-W568 HydrophobicContact CB-CH2 3.72Å; C552-W568 HydrophobicContact CB-CZ2 3.59Å; W568-S574 WeakPolarHBondContact O-CA 3.11Å; W568-V575 HydrophobicContact CB-CB 4.3Å; W568-V575 HydrophobicContact CB-CG2 3.9Å; W568-V575 WeakPolarHBondContact O-CG2 3.47Å; W568-V575 PolarHBondContact O-N 3.12Å; W568-T593 VanDerWaalsContact CZ2-O 3.3Å; W568-T593 WeakPolarHBondContact CZ2-O 3.17Å; W568-L595 HydrophobicContact CB-CD1 3.94Å; W568-L595 HydrophobicContact CB-CD2 4.43Å; W568-L595 HydrophobicContact CD2-CB 3.61Å; W568-L595 HydrophobicContact CD2-CD1 4.38Å; W568-L595 HydrophobicContact CD2-CD2 4.18Å; W568-L595 HydrophobicContact CD2-CG 4.28Å; W568-L595 HydrophobicContact CE3-CB 3.95Å; W568-L595 HydrophobicContact CE3-CD2 3.96Å; W568-L595 HydrophobicContact CE3-CG 4.5Å; W568-L595 HydrophobicContact CG-CB 3.99Å; W568-L595 HydrophobicContact CG-CD1 3.92Å; W568-L595 HydrophobicContact CG-CD2 4.41Å; W568-L595 HydrophobicContact CG-CG 4.34Å; W568-L595 HydrophobicContact CH2-CB 4.22Å; W568-L595 HydrophobicContact CZ2-CB 3.91Å; W568-L595 HydrophobicContact CZ3-CB 4.25Å; W568-V614 HydrophobicContact CE3-CG1 3.93Å; W568-V614 HydrophobicContact CZ3-CG1 3.87Å; W568-T615 WeakPolarHBondContact CA-O 3.5Å; W568-C616 HydrophobicContact CD2-CB 4.47Å; W568-C616 HydrophobicContact CE3-CB 4.02Å; W568-C616 HydrophobicContact CH2-CB 3.97Å; W568-C616 HydrophobicContact CZ2-CB 4.4Å; W568-C616 HydrophobicContact CZ3-CB 3.75Å
569E93.1Very high87.3Confident8 Ų839.8 Ų39.84%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-128.5137.8178.1-65.4177.9177.500110.4I573 T615 R617 R619E569-I573 CarbonylContact C-O 3.58Å; E569-I573 VanDerWaalsContact CA-O 3.24Å; E569-I573 WeakPolarHBondContact CA-O 3.32Å; E569-T615 PolarHBondContact N-O 3.37Å; E569-T615 PolarHBondContact O-N 2.79Å; E569-R617 WeakPolarHBondContact OE1-CD 3.26Å; E569-R617 IonicContact OE1-CZ 3.62Å; E569-R617 IonicContact OE1-NE 3.97Å; E569-R617 IonicContact OE1-NH1 3.23Å; E569-R617 PolarHBondContact OE1-NH1 2.77Å; E569-R617 IonicContact OE2-NH1 2.72Å; E569-R619 IonicContact OE1-NH2 2.72Å; E569-R619 PolarHBondContact OE1-NH2 2.81Å
570L93Very high86.7Confident2 Ų248.8 Ų48.81%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-111.7116.1171.6-75.8161.1000108.6G572 I573 V575 M578 I588 V612 V614L570-G572 PolarHBondContact O-N 2.88Å; L570-G572 VanDerWaalsContact O-N 3.13Å; L570-I573 PolarHBondContact N-O 3.03Å; L570-I573 WeakPolarHBondContact O-CB 3.34Å; L570-I573 PolarHBondContact O-N 3.02Å; L570-V575 HydrophobicContact CD1-CG2 4.01Å; L570-V575 HydrophobicContact CG-CG2 4.24Å; L570-M578 HydrophobicContact CD1-CE 4.24Å; L570-M578 HydrophobicContact CD1-SD 4.06Å; L570-I588 HydrophobicContact CD1-CD1 3.1Å; L570-I588 HydrophobicContact CD1-CG1 3.92Å; L570-V612 HydrophobicContact CB-CG1 4.4Å; L570-V612 HydrophobicContact CD2-CG1 3.54Å; L570-V614 HydrophobicContact CD2-CB 4.41Å; L570-V614 HydrophobicContact CD2-CG1 4.45Å; L570-V614 HydrophobicContact CD2-CG2 3.77Å
571N91.1Very high86.5Confident87 Ų8751 Ų5147%0.46528%0.276SS..THydrogen-bonded Turntrans49.836.4-173-67.2-19.7000112.9I573 V612 N613N571-I573 VanDerWaalsContact C-N 3.34Å; N571-V612 WeakPolarHBondContact OD1-CA 3.28Å; N571-N613 PolarHBondContact N-O 2.64Å; N571-N613 PolarHBondContact OD1-N 2.95Å
572G87.7Confident86.7Confident49 Ų4954.4 Ų54.451%0.50529%0.286SS..THydrogen-bonded Turntrans82.60.1-178.500000115.5L570L570-G572 PolarHBondContact O-N 2.88Å; L570-G572 VanDerWaalsContact O-N 3.13Å
573I87.7Confident86.7Confident62 Ų6257.7 Ų57.732%0.31830%0.3SS..EExtended strand (participates in β ladder)trans-94.2121.2175.8-55.6178.3000109.2E569 L570 N571 V575 M578 Y582E569-I573 CarbonylContact C-O 3.58Å; E569-I573 VanDerWaalsContact CA-O 3.24Å; E569-I573 WeakPolarHBondContact CA-O 3.32Å; L570-I573 PolarHBondContact N-O 3.03Å; L570-I573 WeakPolarHBondContact O-CB 3.34Å; L570-I573 PolarHBondContact O-N 3.02Å; N571-I573 VanDerWaalsContact C-N 3.34Å; I573-V575 PolarHBondContact O-N 2.99Å; I573-M578 HydrophobicContact CG2-CG 4.13Å; I573-Y582 HydrophobicContact CD1-CE1 3.95Å; I573-Y582 HydrophobicContact CG2-CE1 4.32Å
574S88.3Confident86.6Confident17 Ų1756.8 Ų56.812%0.11930%0.298CS..EExtended strand (participates in β ladder)trans-61.8125.3178.3-171.70000111.5W568 S576 K577 M578W568-S574 WeakPolarHBondContact O-CA 3.11Å; S574-S576 PolarHBondContact O-N 2.66Å; S574-S576 PolarHBondContact OG-OG 3.28Å; S574-K577 WeakPolarHBondContact O-CB 3.36Å; S574-K577 PolarHBondContact O-N 3.29Å; S574-M578 PolarHBondContact O-N 3.01Å
575V89Confident86.5Confident25 Ų2555.8 Ų55.815%0.15230%0.298CS..G310 helixtrans-57.9-37178.4173.60000111.1W568 L570 I573 K577 M578 I588 T590 L595W568-V575 HydrophobicContact CB-CB 4.3Å; W568-V575 HydrophobicContact CB-CG2 3.9Å; W568-V575 WeakPolarHBondContact O-CG2 3.47Å; W568-V575 PolarHBondContact O-N 3.12Å; L570-V575 HydrophobicContact CD1-CG2 4.01Å; L570-V575 HydrophobicContact CG-CG2 4.24Å; I573-V575 PolarHBondContact O-N 2.99Å; V575-K577 PolarHBondContact O-N 3.41Å; V575-K577 VanDerWaalsContact O-N 3.17Å; V575-M578 HydrophobicContact CB-SD 4.49Å; V575-M578 HydrophobicContact CG2-SD 4.27Å; V575-M578 WeakPolarHBondContact O-CB 3.28Å; V575-M578 PolarHBondContact O-N 3.2Å; V575-M578 VanDerWaalsContact O-N 3.11Å; V575-I588 HydrophobicContact CG1-CG2 3.64Å; V575-I588 HydrophobicContact CG2-CG2 4.38Å; V575-T590 HydrophobicContact CG1-CG2 4.3Å; V575-L595 HydrophobicContact CG1-CD1 4.38Å; V575-L595 HydrophobicContact CG2-CD1 4.22Å
576S82.2Confident86.5Confident83 Ų8361.2 Ų61.258%0.5832%0.32SS*.G310 helixtrans-62.8-20.6176.1600000114.2S574S574-S576 PolarHBondContact O-N 2.66Å; S574-S576 PolarHBondContact OG-OG 3.28Å
577K81.3Confident86.6Confident96 Ų9660.5 Ų60.542%0.41732%0.316SS..G310 helixtrans-98-5178.6-63.3-174.6176.5-170.50113.1S574 V575 T579 L632S574-K577 WeakPolarHBondContact O-CB 3.36Å; S574-K577 PolarHBondContact O-N 3.29Å; V575-K577 PolarHBondContact O-N 3.41Å; V575-K577 VanDerWaalsContact O-N 3.17Å; K577-T579 PolarHBondContact O-N 3.01Å; K577-L632 WeakPolarHBondContact CE-O 3.37Å; K577-L632 PolarHBondContact NZ-O 2.84Å
578M84.1Confident86.7Confident20 Ų2060.9 Ų60.910%0.09932%0.318CS..  trans-74.896.3178.8-63.3177.8102.700109.7L570 I573 S574 V575 Y582 Q584 I588L570-M578 HydrophobicContact CD1-CE 4.24Å; L570-M578 HydrophobicContact CD1-SD 4.06Å; I573-M578 HydrophobicContact CG2-CG 4.13Å; S574-M578 PolarHBondContact O-N 3.01Å; V575-M578 HydrophobicContact CB-SD 4.49Å; V575-M578 HydrophobicContact CG2-SD 4.27Å; V575-M578 WeakPolarHBondContact O-CB 3.28Å; V575-M578 PolarHBondContact O-N 3.2Å; V575-M578 VanDerWaalsContact O-N 3.11Å; M578-Y582 HydrophobicContact CB-CD2 4.29Å; M578-Y582 HydrophobicContact CB-CG 4.17Å; M578-Y582 HydrophobicContact CE-CD1 3.87Å; M578-Y582 HydrophobicContact CE-CG 4.24Å; M578-Y582 HydrophobicContact CG-CD1 4.47Å; M578-Y582 HydrophobicContact CG-CG 4.26Å; M578-Q584 HydrophobicContact CE-CB 3.8Å; M578-I588 HydrophobicContact CE-CD1 4.27Å; M578-I588 HydrophobicContact SD-CD1 3.9Å
579T78.6Confident86.6Confident74 Ų7466 Ų6645%0.45434%0.34SS..  trans-69.3176.9173.159.40000111.2K577 D581 Y582 S585K577-T579 PolarHBondContact O-N 3.01Å; T579-D581 PolarHBondContact O-N 3.29Å; T579-D581 PolarHBondContact OG1-OD2 2.93Å; T579-Y582 PolarHBondContact O-N 2.9Å; T579-S585 PolarHBondContact O-OG 2.87Å
580K77Confident86.5Confident191 Ų19169.6 Ų69.683%0.8336%0.363SS*.THydrogen-bonded Turntrans-58.1-13176.5-66.5-176.7179.1179.90114.4Y582K580-Y582 VanDerWaalsContact C-N 3.33Å
581D78.7Confident86.3Confident133 Ų13375.2 Ų75.271%0.71139%0.389SS*.THydrogen-bonded Turntrans-73.6-26.5177.2-52.3-50.4000112T579 Q583T579-D581 PolarHBondContact O-N 3.29Å; T579-D581 PolarHBondContact OG1-OD2 2.93Å; D581-Q583 PolarHBondContact O-N 2.96Å
582Y82.1Confident86.2Confident93 Ų9374.8 Ų74.837%0.36541%0.405SS..  trans-82.1106.5176.4-74.5-94.9000109.9I573 M578 T579 K580 Q584 S585I573-Y582 HydrophobicContact CD1-CE1 3.95Å; I573-Y582 HydrophobicContact CG2-CE1 4.32Å; M578-Y582 HydrophobicContact CB-CD2 4.29Å; M578-Y582 HydrophobicContact CB-CG 4.17Å; M578-Y582 HydrophobicContact CE-CD1 3.87Å; M578-Y582 HydrophobicContact CE-CG 4.24Å; M578-Y582 HydrophobicContact CG-CD1 4.47Å; M578-Y582 HydrophobicContact CG-CG 4.26Å; T579-Y582 PolarHBondContact O-N 2.9Å; K580-Y582 VanDerWaalsContact C-N 3.33Å; Y582-Q584 PolarHBondContact O-N 3.49Å; Y582-Q584 VanDerWaalsContact O-N 3.09Å; Y582-S585 VanDerWaalsContact O-CB 3.27Å; Y582-S585 WeakPolarHBondContact O-CB 3.32Å; Y582-S585 PolarHBondContact O-N 2.96Å; Y582-S585 PolarHBondContact O-OG 3.19Å
583Q86.2Confident86.4Confident81 Ų8174.7 Ų74.738%0.37940%0.395SS..G310 helixtrans-55.5-32.4179.4-64.4-60.3-45.100113D581 S585 K586 L608D581-Q583 PolarHBondContact O-N 2.96Å; Q583-S585 PolarHBondContact O-N 2.82Å; Q583-K586 WeakPolarHBondContact O-CB 3.47Å; Q583-K586 PolarHBondContact O-N 2.83Å; Q583-L608 HydrophobicContact CB-CD1 3.68Å
584Q87.5Confident86.8Confident31 Ų3176 Ų7615%0.14540%0.399CS..G310 helixtrans-58.2-33.5174.2-72.1168.7-37.900112.9M578 Y582 K586 F587 I588 L608 F609M578-Q584 HydrophobicContact CE-CB 3.8Å; Y582-Q584 PolarHBondContact O-N 3.49Å; Y582-Q584 VanDerWaalsContact O-N 3.09Å; Q584-K586 PolarHBondContact O-N 2.93Å; Q584-F587 PolarHBondContact O-N 3.05Å; Q584-I588 HydrophobicContact CB-CD1 4.02Å; Q584-I588 VanDerWaalsContact O-CD1 3.26Å; Q584-I588 WeakPolarHBondContact O-CD1 3.25Å; Q584-I588 WeakPolarHBondContact O-CG1 3.31Å; Q584-L608 HydrophobicContact CG-CB 3.83Å; Q584-L608 HydrophobicContact CG-CD1 4.35Å; Q584-L608 HydrophobicContact CG-CG 4.48Å; Q584-L608 PolarHBondContact NE2-O 2.83Å; Q584-F609 HydrophobicContact CB-CE1 4.4Å; Q584-F609 HydrophobicContact CB-CZ 3.97Å; Q584-F609 HydrophobicContact CG-CE1 4.26Å; Q584-F609 HydrophobicContact CG-CE2 4.4Å; Q584-F609 HydrophobicContact CG-CZ 3.99Å
585S86.4Confident87.2Confident34 Ų3475.2 Ų75.224%0.23839%0.393CS..G310 helixtrans-61.2-21.8-17685.30000112.9T579 Y582 Q583 F587T579-S585 PolarHBondContact O-OG 2.87Å; Y582-S585 VanDerWaalsContact O-CB 3.27Å; Y582-S585 WeakPolarHBondContact O-CB 3.32Å; Y582-S585 PolarHBondContact O-N 2.96Å; Y582-S585 PolarHBondContact O-OG 3.19Å; Q583-S585 PolarHBondContact O-N 2.82Å; S585-F587 PolarHBondContact O-N 2.95Å
586K88.7Confident87.6Confident132 Ų13275.2 Ų75.257%0.57439%0.392SS*.G310 helixtrans-67.4-24.8176.2-64.6176177.4173.30113Q583 Q584Q583-K586 WeakPolarHBondContact O-CB 3.47Å; Q583-K586 PolarHBondContact O-N 2.83Å; Q584-K586 PolarHBondContact O-N 2.93Å
587F92Very high88.2Confident27 Ų2771.3 Ų71.312%0.11836%0.364CS..G310 helixtrans-108.51.7-173.6-53.3-77.9000113.2Q584 S585 I597 T598 V600 L605 F609Q584-F587 PolarHBondContact O-N 3.05Å; S585-F587 PolarHBondContact O-N 2.95Å; F587-I597 CarbonylContact O-C 3.55Å; F587-I597 VanDerWaalsContact O-CA 3.29Å; F587-I597 WeakPolarHBondContact O-CA 3.35Å; F587-T598 WeakPolarHBondContact CA-OG1 3.24Å; F587-T598 PolarHBondContact O-N 3.39Å; F587-T598 PolarHBondContact O-OG1 2.7Å; F587-V600 HydrophobicContact CB-CG2 4.41Å; F587-V600 HydrophobicContact CD1-CB 4.44Å; F587-V600 HydrophobicContact CD1-CG2 3.84Å; F587-V600 HydrophobicContact CE1-CB 4.38Å; F587-V600 HydrophobicContact CE1-CG1 4.09Å; F587-V600 HydrophobicContact CE1-CG2 4.23Å; F587-V600 HydrophobicContact CG-CG2 4.01Å; F587-V600 HydrophobicContact CZ-CG1 4.12Å; F587-L605 HydrophobicContact CE2-CB 4.48Å; F587-L605 HydrophobicContact CE2-CD1 4.07Å; F587-L605 HydrophobicContact CZ-CB 4.4Å; F587-L605 HydrophobicContact CZ-CD1 3.65Å; F587-F609 HydrophobicContact CB-CE2 4Å; F587-F609 HydrophobicContact CB-CZ 3.95Å; F587-F609 AromaticContact CD2-CE2 3.92Å; F587-F609 HydrophobicContact CD2-CE2 3.92Å; F587-F609 HydrophobicContact CD2-CZ 4.37Å; F587-F609 HydrophobicContact CG-CE2 4.2Å
588I92.6Very high88.8Confident20 Ų2068.1 Ų68.110%0.10335%0.353CS..EExtended strand (participates in β ladder)trans-110.6131-174.2-60.3154.3000109.8L570 V575 M578 Q584 L595 F609L570-I588 HydrophobicContact CD1-CD1 3.1Å; L570-I588 HydrophobicContact CD1-CG1 3.92Å; V575-I588 HydrophobicContact CG1-CG2 3.64Å; V575-I588 HydrophobicContact CG2-CG2 4.38Å; M578-I588 HydrophobicContact CE-CD1 4.27Å; M578-I588 HydrophobicContact SD-CD1 3.9Å; Q584-I588 HydrophobicContact CB-CD1 4.02Å; Q584-I588 VanDerWaalsContact O-CD1 3.26Å; Q584-I588 WeakPolarHBondContact O-CD1 3.25Å; Q584-I588 WeakPolarHBondContact O-CG1 3.31Å; I588-L595 HydrophobicContact CG2-CD1 3.45Å; I588-L595 VanDerWaalsContact CG2-CD1 3.45Å; I588-L595 HydrophobicContact CG2-CG 4.24Å; I588-F609 HydrophobicContact CG1-CE1 4.36Å; I588-F609 HydrophobicContact CG1-CZ 4.34Å
589K91.3Very high89.2Confident120 Ų12069.3 Ų69.352%0.52236%0.362SS..EExtended strand (participates in β ladder)trans-129.3145.2171.8-65.9-178.7-179.8177.30110.1I596 T598K589-I596 HydrophobicContact CB-CB 4.4Å; K589-I596 PolarHBondContact N-O 2.98Å; K589-I596 PolarHBondContact O-N 2.76Å; K589-T598 HydrophobicContact CD-CG2 3.99Å; K589-T598 HydrophobicContact CG-CG2 4.35Å
590T90.4Very high89.8Confident84 Ų8465.8 Ų65.852%0.51534%0.341SS..EExtended strand (participates in β ladder)trans-118.2126.4174.652.30000109.6V575 K594 L595V575-T590 HydrophobicContact CG1-CG2 4.3Å; T590-K594 CarbonylContact C-O 3.59Å; T590-K594 WeakPolarHBondContact CA-O 3.36Å; T590-L595 HydrophobicContact CG2-CD1 3.5Å
591E90.3Very high90.2Very high121 Ų12163.3 Ų63.357%0.56534%0.336SS*.EExtended strand (participates in β ladder)trans-130.999.4179.5-69.9-176.5-174.600109.8T593 K594 I596E591-T593 PolarHBondContact O-N 3Å; E591-T593 VanDerWaalsContact O-N 3.16Å; E591-K594 PolarHBondContact N-O 2.9Å; E591-K594 WeakPolarHBondContact O-CB 3.1Å; E591-K594 PolarHBondContact O-N 2.93Å; E591-I596 HydrophobicContact CG-CD1 4.26Å
592G88.7Confident90.6Very high78 Ų7860.5 Ų60.580%0.80432%0.321SS*.THydrogen-bonded Turntrans59.9-117.3-175.900000111.6K594G592-K594 VanDerWaalsContact C-N 3.29Å
593T92Very high90.6Very high47 Ų4759.5 Ų59.529%0.28833%0.326SS..THydrogen-bonded Turntrans-81.2-5.9178.457.80000113.7D551 C552 V553 Q566 W568 E591D551-T593 WeakPolarHBondContact OD1-CB 3.34Å; D551-T593 PolarHBondContact OD1-OG1 2.87Å; C552-T593 PolarHBondContact N-O 3.44Å; C552-T593 WeakPolarHBondContact O-CB 3.14Å; V553-T593 HydrophobicContact CG2-CG2 4.1Å; Q566-T593 PolarHBondContact NE2-O 3.45Å; Q566-T593 VanDerWaalsContact NE2-O 3.09Å; W568-T593 VanDerWaalsContact CZ2-O 3.3Å; W568-T593 WeakPolarHBondContact CZ2-O 3.17Å; E591-T593 PolarHBondContact O-N 3Å; E591-T593 VanDerWaalsContact O-N 3.16Å
594K96.2Very high90.6Very high90 Ų9059.5 Ų59.539%0.39134%0.335SS..EExtended strand (participates in β ladder)trans-103.5144.4-170.7-61178.6-179.4-175.50113.3T549 F550 D551 T590 E591 G592T549-K594 HydrophobicContact CG2-CB 4.2Å; T549-K594 HydrophobicContact CG2-CD 4.04Å; T549-K594 HydrophobicContact CG2-CG 4.38Å; F550-K594 CarbonylContact O-C 3.6Å; F550-K594 WeakPolarHBondContact O-CA 3.35Å; D551-K594 HydrophobicContact CB-CG 4.16Å; D551-K594 WeakPolarHBondContact OD1-CG 3.5Å; T590-K594 CarbonylContact C-O 3.59Å; T590-K594 WeakPolarHBondContact CA-O 3.36Å; E591-K594 PolarHBondContact N-O 2.9Å; E591-K594 WeakPolarHBondContact O-CB 3.1Å; E591-K594 PolarHBondContact O-N 2.93Å; G592-K594 VanDerWaalsContact C-N 3.29Å
595L96.4Very high90.7Very high0 Ų060.1 Ų60.10%034%0.339CS..EExtended strand (participates in β ladder)trans-112.1127.3165.2-173.680.9000108.7T549 F550 W568 V575 I588 T590 V614T549-L595 CarbonylContact C-O 3.6Å; T549-L595 WeakPolarHBondContact CA-O 3.16Å; F550-L595 HydrophobicContact CB-CB 4.41Å; F550-L595 HydrophobicContact CD2-CD2 4.43Å; F550-L595 PolarHBondContact N-O 2.95Å; F550-L595 PolarHBondContact O-N 3.43Å; W568-L595 HydrophobicContact CB-CD1 3.94Å; W568-L595 HydrophobicContact CB-CD2 4.43Å; W568-L595 HydrophobicContact CD2-CB 3.61Å; W568-L595 HydrophobicContact CD2-CD1 4.38Å; W568-L595 HydrophobicContact CD2-CD2 4.18Å; W568-L595 HydrophobicContact CD2-CG 4.28Å; W568-L595 HydrophobicContact CE3-CB 3.95Å; W568-L595 HydrophobicContact CE3-CD2 3.96Å; W568-L595 HydrophobicContact CE3-CG 4.5Å; W568-L595 HydrophobicContact CG-CB 3.99Å; W568-L595 HydrophobicContact CG-CD1 3.92Å; W568-L595 HydrophobicContact CG-CD2 4.41Å; W568-L595 HydrophobicContact CG-CG 4.34Å; W568-L595 HydrophobicContact CH2-CB 4.22Å; W568-L595 HydrophobicContact CZ2-CB 3.91Å; W568-L595 HydrophobicContact CZ3-CB 4.25Å; V575-L595 HydrophobicContact CG1-CD1 4.38Å; V575-L595 HydrophobicContact CG2-CD1 4.22Å; I588-L595 HydrophobicContact CG2-CD1 3.45Å; I588-L595 VanDerWaalsContact CG2-CD1 3.45Å; I588-L595 HydrophobicContact CG2-CG 4.24Å; T590-L595 HydrophobicContact CG2-CD1 3.5Å; L595-V614 HydrophobicContact CD2-CG1 3.35Å
596I96.5Very high90.7Very high25 Ų2558.8 Ų58.813%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-117.5121-178.2-54.4169.6000107.7H548 T549 K589 E591H548-I596 WeakPolarHBondContact O-CA 3.34Å; T549-I596 HydrophobicContact CG2-CG1 3.98Å; K589-I596 HydrophobicContact CB-CB 4.4Å; K589-I596 PolarHBondContact N-O 2.98Å; K589-I596 PolarHBondContact O-N 2.76Å; E591-I596 HydrophobicContact CG-CD1 4.26Å
597I94.6Very high90.7Very high1 Ų157.1 Ų57.11%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-93.2112.6165.9-61.8174.2000106.6S547 H548 F550 F587 F609 V614 L660S547-I597 CarbonylContact C-O 3.58Å; S547-I597 VanDerWaalsContact CA-O 3.29Å; S547-I597 WeakPolarHBondContact CA-O 3.42Å; H548-I597 HydrophobicContact CB-CB 4.4Å; H548-I597 PolarHBondContact N-O 3.08Å; H548-I597 PolarHBondContact O-N 3.22Å; F550-I597 HydrophobicContact CE2-CD1 3.84Å; F550-I597 HydrophobicContact CE2-CG1 4.32Å; F587-I597 CarbonylContact O-C 3.55Å; F587-I597 VanDerWaalsContact O-CA 3.29Å; F587-I597 WeakPolarHBondContact O-CA 3.35Å; I597-F609 HydrophobicContact CD1-CD1 3.98Å; I597-F609 HydrophobicContact CD1-CE1 3.98Å; I597-F609 HydrophobicContact CG1-CE1 4.4Å; I597-F609 HydrophobicContact CG2-CD1 4.4Å; I597-F609 HydrophobicContact CG2-CE1 4.16Å; I597-F609 HydrophobicContact CG2-CZ 4.23Å; I597-V614 HydrophobicContact CD1-CG2 4.48Å; I597-L660 HydrophobicContact CD1-CD2 3.22Å
598T93.9Very high90.5Very high29 Ų2958.1 Ų58.118%0.17834%0.336CS..  trans-72.6158.517959.30000110.7F587 K589 V600F587-T598 WeakPolarHBondContact CA-OG1 3.24Å; F587-T598 PolarHBondContact O-N 3.39Å; F587-T598 PolarHBondContact O-OG1 2.7Å; K589-T598 HydrophobicContact CD-CG2 3.99Å; K589-T598 HydrophobicContact CG-CG2 4.35Å; T598-V600 PolarHBondContact O-N 3.36Å
599P93.4Very high90.5Very high45 Ų4557.1 Ų57.129%0.29233%0.332SS..  trans-50.5141.4176.7-27.335.5000112.7N544N544-P599 CarbonylContact O-C 3.44Å; N544-P599 WeakPolarHBondContact O-CA 3.45Å
600V90.2Very high90.4Very high0 Ų059.5 Ų59.50%034%0.337CS..  trans-108.985.5178.9-174.80000107.7N544 F587 T598 D602 L605 F609 L662N544-V600 HydrophobicContact CB-CB 4.44Å; N544-V600 PolarHBondContact ND2-O 3.11Å; N544-V600 PolarHBondContact O-N 3.04Å; F587-V600 HydrophobicContact CB-CG2 4.41Å; F587-V600 HydrophobicContact CD1-CB 4.44Å; F587-V600 HydrophobicContact CD1-CG2 3.84Å; F587-V600 HydrophobicContact CE1-CB 4.38Å; F587-V600 HydrophobicContact CE1-CG1 4.09Å; F587-V600 HydrophobicContact CE1-CG2 4.23Å; F587-V600 HydrophobicContact CG-CG2 4.01Å; F587-V600 HydrophobicContact CZ-CG1 4.12Å; T598-V600 PolarHBondContact O-N 3.36Å; V600-D602 VanDerWaalsContact C-N 3.29Å; V600-D602 PolarHBondContact O-N 2.81Å; V600-L605 HydrophobicContact CG1-CB 3.75Å; V600-F609 HydrophobicContact CG2-CD2 4.17Å; V600-F609 HydrophobicContact CG2-CE2 4.14Å; V600-L662 HydrophobicContact CG2-CD1 4.17Å
601D85.3Confident90.5Very high139 Ų13963.1 Ų63.174%0.74335%0.346SS*.  trans-62.2-34.9-174-58.9-36.5000113P603D601-P603 WeakPolarHBondContact O-CD 3.14Å
602D87.3Confident90.7Very high74 Ų7457.5 Ų57.540%0.39632%0.319SS..SBendtrans-79.4110176.6-177.6-13.5000110V600 S604 L605V600-D602 VanDerWaalsContact C-N 3.29Å; V600-D602 PolarHBondContact O-N 2.81Å; D602-S604 PolarHBondContact O-N 2.82Å; D602-S604 VanDerWaalsContact O-N 3.08Å; D602-S604 VanDerWaalsContact OD1-CB 3.29Å; D602-S604 WeakPolarHBondContact OD1-CB 3.22Å; D602-S604 PolarHBondContact OD1-N 3.07Å; D602-S604 PolarHBondContact OD1-OG 2.92Å; D602-S604 PolarHBondContact OD2-OG 3.31Å; D602-L605 HydrophobicContact CB-CB 4.42Å; D602-L605 HydrophobicContact CB-CD1 4Å; D602-L605 HydrophobicContact CB-CG 4.08Å; D602-L605 PolarHBondContact O-N 3.43Å
603P83Confident91Very high72 Ų7257.6 Ų57.647%0.46830%0.302SS..G310 helixtrans-58.7-28.4-177-23.835.7000112.9D601 L605 T606 V664D601-P603 WeakPolarHBondContact O-CD 3.14Å; P603-L605 VanDerWaalsContact C-N 3.27Å; P603-L605 PolarHBondContact O-N 3.01Å; P603-T606 VanDerWaalsContact O-CB 3.29Å; P603-T606 WeakPolarHBondContact O-CB 3.49Å; P603-T606 PolarHBondContact O-N 3.34Å; P603-T606 PolarHBondContact O-OG1 3.44Å; P603-V664 HydrophobicContact CB-CG1 3.92Å; P603-V664 HydrophobicContact CB-CG2 4.05Å; P603-V664 HydrophobicContact CG-CG1 4.43Å
604S85.2Confident91.2Very high80 Ų8055.3 Ų55.356%0.55929%0.288SS*.G310 helixtrans-67.9-26.918075.30000112.9D602 V607D602-S604 PolarHBondContact O-N 2.82Å; D602-S604 VanDerWaalsContact O-N 3.08Å; D602-S604 VanDerWaalsContact OD1-CB 3.29Å; D602-S604 WeakPolarHBondContact OD1-CB 3.22Å; D602-S604 PolarHBondContact OD1-N 3.07Å; D602-S604 PolarHBondContact OD1-OG 2.92Å; D602-S604 PolarHBondContact OD2-OG 3.31Å; S604-V607 WeakPolarHBondContact O-CG1 3.32Å
605L89.8Confident91.2Very high44 Ų4451.4 Ų51.423%0.2327%0.272CS..G310 helixtrans-85.6-12.9178.9-62-179.8000112.8F587 V600 D602 P603 V607 L608F587-L605 HydrophobicContact CE2-CB 4.48Å; F587-L605 HydrophobicContact CE2-CD1 4.07Å; F587-L605 HydrophobicContact CZ-CB 4.4Å; F587-L605 HydrophobicContact CZ-CD1 3.65Å; V600-L605 HydrophobicContact CG1-CB 3.75Å; D602-L605 HydrophobicContact CB-CB 4.42Å; D602-L605 HydrophobicContact CB-CD1 4Å; D602-L605 HydrophobicContact CB-CG 4.08Å; D602-L605 PolarHBondContact O-N 3.43Å; P603-L605 VanDerWaalsContact C-N 3.27Å; P603-L605 PolarHBondContact O-N 3.01Å; L605-V607 PolarHBondContact O-N 3.43Å; L605-V607 VanDerWaalsContact O-N 3.13Å; L605-L608 HydrophobicContact CB-CD1 4.25Å; L605-L608 HydrophobicContact CD2-CD1 4.17Å; L605-L608 WeakPolarHBondContact O-CB 3.26Å; L605-L608 VanDerWaalsContact O-CG 3.25Å; L605-L608 WeakPolarHBondContact O-CG 3.46Å; L605-L608 PolarHBondContact O-N 2.75Å
606T86.7Confident91.2Very high6 Ų651.4 Ų51.44%0.03727%0.272CS..G310 helixtrans-55.9-30.8176-46.80000112.1N544 P603 L608 F609 L662 V664N544-T606 HydrophobicContact CB-CG2 3.91Å; P603-T606 VanDerWaalsContact O-CB 3.29Å; P603-T606 WeakPolarHBondContact O-CB 3.49Å; P603-T606 PolarHBondContact O-N 3.34Å; P603-T606 PolarHBondContact O-OG1 3.44Å; T606-L608 PolarHBondContact O-N 3.19Å; T606-L608 VanDerWaalsContact O-N 3.08Å; T606-F609 PolarHBondContact O-N 3.36Å; T606-L662 HydrophobicContact CG2-CB 3.66Å; T606-V664 HydrophobicContact CG2-CG2 4.2Å
607V88.7Confident91Very high97 Ų9751.9 Ų51.959%0.58827%0.272SS*.G310 helixtrans-57.2-25.3176.775.50000113.2S604 L605 F609 R610S604-V607 WeakPolarHBondContact O-CG1 3.32Å; L605-V607 PolarHBondContact O-N 3.43Å; L605-V607 VanDerWaalsContact O-N 3.13Å; V607-F609 PolarHBondContact O-N 2.98Å; V607-R610 PolarHBondContact O-N 2.91Å
608L87.9Confident90.9Very high48 Ų4852.5 Ų52.525%0.25127%0.274SS..G310 helixtrans-64.9-21.7177.7-63.3175.5000112.9Q583 Q584 L605 T606Q583-L608 HydrophobicContact CB-CD1 3.68Å; Q584-L608 HydrophobicContact CG-CB 3.83Å; Q584-L608 HydrophobicContact CG-CD1 4.35Å; Q584-L608 HydrophobicContact CG-CG 4.48Å; Q584-L608 PolarHBondContact NE2-O 2.83Å; L605-L608 HydrophobicContact CB-CD1 4.25Å; L605-L608 HydrophobicContact CD2-CD1 4.17Å; L605-L608 WeakPolarHBondContact O-CB 3.26Å; L605-L608 VanDerWaalsContact O-CG 3.25Å; L605-L608 WeakPolarHBondContact O-CG 3.46Å; L605-L608 PolarHBondContact O-N 2.75Å; T606-L608 PolarHBondContact O-N 3.19Å; T606-L608 VanDerWaalsContact O-N 3.08Å
609F92.2Very high90.8Very high0 Ų051.9 Ų51.90%027%0.268CS..G310 helixtrans-117.822.3-177.7-63.2-80.8000112.5Q584 F587 I588 I597 V600 T606 V607 L660 L662Q584-F609 HydrophobicContact CB-CE1 4.4Å; Q584-F609 HydrophobicContact CB-CZ 3.97Å; Q584-F609 HydrophobicContact CG-CE1 4.26Å; Q584-F609 HydrophobicContact CG-CE2 4.4Å; Q584-F609 HydrophobicContact CG-CZ 3.99Å; F587-F609 HydrophobicContact CB-CE2 4Å; F587-F609 HydrophobicContact CB-CZ 3.95Å; F587-F609 AromaticContact CD2-CE2 3.92Å; F587-F609 HydrophobicContact CD2-CE2 3.92Å; F587-F609 HydrophobicContact CD2-CZ 4.37Å; F587-F609 HydrophobicContact CG-CE2 4.2Å; I588-F609 HydrophobicContact CG1-CE1 4.36Å; I588-F609 HydrophobicContact CG1-CZ 4.34Å; I597-F609 HydrophobicContact CD1-CD1 3.98Å; I597-F609 HydrophobicContact CD1-CE1 3.98Å; I597-F609 HydrophobicContact CG1-CE1 4.4Å; I597-F609 HydrophobicContact CG2-CD1 4.4Å; I597-F609 HydrophobicContact CG2-CE1 4.16Å; I597-F609 HydrophobicContact CG2-CZ 4.23Å; V600-F609 HydrophobicContact CG2-CD2 4.17Å; V600-F609 HydrophobicContact CG2-CE2 4.14Å; T606-F609 PolarHBondContact O-N 3.36Å; V607-F609 PolarHBondContact O-N 2.98Å; F609-L660 HydrophobicContact CB-CD2 4.18Å; F609-L660 HydrophobicContact CD1-CD2 4.12Å; F609-L662 HydrophobicContact CB-CB 4.06Å; F609-L662 HydrophobicContact CB-CD1 3.42Å; F609-L662 VanDerWaalsContact CB-CD1 3.42Å; F609-L662 HydrophobicContact CB-CG 3.68Å; F609-L662 HydrophobicContact CD2-CD1 3.93Å; F609-L662 HydrophobicContact CG-CD1 3.83Å; F609-L662 PolarHBondContact O-N 3.47Å; F609-L662 VanDerWaalsContact O-N 3.14Å
610R89.9Confident90.7Very high170 Ų17049.8 Ų49.864%0.64226%0.255SS*.THydrogen-bonded Turntrans-80.4122.6175.4-157.5177.2-172.1172.83.1110.2V607 V612 D661V607-R610 PolarHBondContact O-N 2.91Å; R610-V612 VanDerWaalsContact C-N 3.35Å; R610-V612 PolarHBondContact O-N 3.1Å; R610-D661 VanDerWaalsContact CA-OD1 3.32Å; R610-D661 WeakPolarHBondContact CA-OD1 3.29Å; R610-D661 WeakPolarHBondContact CG-OD1 3.5Å
611K92.2Very high90.7Very high160 Ų16049.8 Ų49.870%0.69626%0.255SS*.THydrogen-bonded Turntrans47.550.7-178.1-58.9-177.8179.3-177.60113.9L660 D661K611-L660 CarbonylContact C-O 3.49Å; K611-L660 VanDerWaalsContact CA-O 3.31Å; K611-L660 WeakPolarHBondContact CA-O 3.5Å; K611-L660 PolarHBondContact N-O 3.37Å; K611-D661 HydrophobicContact CG-CB 4.48Å; K611-D661 WeakPolarHBondContact CG-OD2 3.4Å; K611-D661 PolarHBondContact N-OD1 3.07Å
612V94Very high91Very high2 Ų244.8 Ų44.81%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-94138.5178.6174.80000110.9L570 N571 R610 L660L570-V612 HydrophobicContact CB-CG1 4.4Å; L570-V612 HydrophobicContact CD2-CG1 3.54Å; N571-V612 WeakPolarHBondContact OD1-CA 3.28Å; R610-V612 VanDerWaalsContact C-N 3.35Å; R610-V612 PolarHBondContact O-N 3.1Å; V612-L660 PolarHBondContact N-O 2.99Å; V612-L660 PolarHBondContact O-N 2.8Å
613N95.7Very high90.8Very high80 Ų8044.5 Ų44.543%0.42823%0.228SC..EExtended strand (participates in β ladder)trans-93116.2170-72.1-17.9000109.6N571 T657 A658N571-N613 PolarHBondContact N-O 2.64Å; N571-N613 PolarHBondContact OD1-N 2.95Å; N613-T657 HydrophobicContact CB-CG2 3.75Å; N613-A658 WeakPolarHBondContact CA-O 3.26Å
614V96.4Very high90.7Very high0 Ų046.7 Ų46.70%023%0.231CC..EExtended strand (participates in β ladder)trans-95.4106.2174.3-173.60000107.9F550 W568 L570 L595 I597 T657 A658 L660F550-V614 HydrophobicContact CB-CG1 4.49Å; F550-V614 HydrophobicContact CD1-CB 4.35Å; F550-V614 HydrophobicContact CD1-CG1 4.29Å; F550-V614 HydrophobicContact CD2-CG1 3.98Å; F550-V614 HydrophobicContact CD2-CG2 4.48Å; F550-V614 HydrophobicContact CE1-CB 4.29Å; F550-V614 HydrophobicContact CE1-CG2 4.17Å; F550-V614 HydrophobicContact CE2-CG1 4.32Å; F550-V614 HydrophobicContact CE2-CG2 3.99Å; F550-V614 HydrophobicContact CG-CG1 3.98Å; F550-V614 HydrophobicContact CZ-CB 4.38Å; F550-V614 HydrophobicContact CZ-CG2 3.82Å; W568-V614 HydrophobicContact CE3-CG1 3.93Å; W568-V614 HydrophobicContact CZ3-CG1 3.87Å; L570-V614 HydrophobicContact CD2-CB 4.41Å; L570-V614 HydrophobicContact CD2-CG1 4.45Å; L570-V614 HydrophobicContact CD2-CG2 3.77Å; L595-V614 HydrophobicContact CD2-CG1 3.35Å; I597-V614 HydrophobicContact CD1-CG2 4.48Å; V614-T657 CarbonylContact O-C 3.58Å; V614-T657 WeakPolarHBondContact O-CA 3.49Å; V614-A658 HydrophobicContact CB-CB 4.29Å; V614-A658 PolarHBondContact N-O 3.19Å; V614-A658 PolarHBondContact O-N 3.18Å; V614-L660 HydrophobicContact CG2-CB 4.1Å; V614-L660 HydrophobicContact CG2-CD2 4.33Å
615T96.5Very high90.3Very high8 Ų843.1 Ų43.15%0.04921%0.206CC..EExtended strand (participates in β ladder)trans-110127.2-174.7-58.70000111W568 E569 M656 T657W568-T615 WeakPolarHBondContact CA-O 3.5Å; E569-T615 PolarHBondContact N-O 3.37Å; E569-T615 PolarHBondContact O-N 2.79Å; T615-M656 CarbonylContact C-O 3.56Å; T615-M656 WeakPolarHBondContact CA-O 3.41Å; T615-T657 WeakPolarHBondContact CG2-OG1 3.46Å; T615-T657 WeakPolarHBondContact OG1-CG2 3.38Å; T615-T657 PolarHBondContact OG1-OG1 3.12Å
616C96Very high89.2Confident0 Ų044.5 Ų44.50%022%0.217CC..EExtended strand (participates in β ladder)trans-86.2129.4164.4-178.60000109.4P533 C552 W568 W618 M656P533-C616 HydrophobicContact CG-CB 3.57Å; C552-C616 HydrophobicContact CB-CB 3.58Å; C552-C616 WeakPolarHBondContact CB-SG 3.35Å; C552-C616 WeakPolarHBondContact SG-CB 3.39Å; C552-C616 CovalentContact SG-SG 2.03Å; C552-C616 PolarHBondContact SG-SG 3.37Å; W568-C616 HydrophobicContact CD2-CB 4.47Å; W568-C616 HydrophobicContact CE3-CB 4.02Å; W568-C616 HydrophobicContact CH2-CB 3.97Å; W568-C616 HydrophobicContact CZ2-CB 4.4Å; W568-C616 HydrophobicContact CZ3-CB 3.75Å; C616-W618 VanDerWaalsContact SG-CD1 3.58Å; C616-W618 PolarHBondContact SG-NE1 2.79Å; C616-W618 VanDerWaalsContact SG-NE1 3.42Å; C616-M656 HydrophobicContact CB-SD 4.45Å; C616-M656 PolarHBondContact N-O 3.12Å; C616-M656 WeakPolarHBondContact O-CB 3.49Å
617R92.5Very high87.9Confident35 Ų3547.1 Ų47.113%0.13224%0.235CC..EExtended strand (participates in β ladder)trans-122.5117-179.1-170.2169173.4-1749.2110.9T567 E569 R619 D645 S646 H647T567-R617 PolarHBondContact N-O 3.07Å; T567-R617 PolarHBondContact O-N 2.9Å; T567-R617 PolarHBondContact OG1-O 3.15Å; E569-R617 WeakPolarHBondContact OE1-CD 3.26Å; E569-R617 IonicContact OE1-CZ 3.62Å; E569-R617 IonicContact OE1-NE 3.97Å; E569-R617 IonicContact OE1-NH1 3.23Å; E569-R617 PolarHBondContact OE1-NH1 2.77Å; E569-R617 IonicContact OE2-NH1 2.72Å; R617-R619 HydrophobicContact CG-CG 4.4Å; R617-R619 VanDerWaalsContact NE-NH2 3.12Å; R617-D645 WeakPolarHBondContact CG-OD1 3.27Å; R617-D645 IonicContact CZ-OD1 2.73Å; R617-D645 IonicContact CZ-OD2 3.35Å; R617-D645 VanDerWaalsContact CZ-OD2 3.28Å; R617-D645 IonicContact NE-OD1 3.74Å; R617-D645 PolarHBondContact NE-OD1 2.94Å; R617-D645 IonicContact NE-OD2 3.26Å; R617-D645 PolarHBondContact NE-OD2 2.76Å; R617-D645 VanDerWaalsContact NE-OD2 3.12Å; R617-D645 IonicContact NH2-OD1 3.47Å; R617-D645 IonicContact NH2-OD2 2.77Å; R617-D645 PolarHBondContact NH2-OD2 3.07Å; R617-S646 WeakPolarHBondContact CA-OG 3.34Å; R617-H647 HydrophobicContact CG-CB 4.34Å
618W92.2Very high86.7Confident13 Ų1352.7 Ų52.75%0.04925%0.246CC..EExtended strand (participates in β ladder)trans-102.4129.9176.4-79.891000110I527 C552 I554 T556 F564 Q566 C616 S646I527-W618 HydrophobicContact CD1-CB 4.13Å; C552-W618 PolarHBondContact SG-NE1 2.75Å; I554-W618 HydrophobicContact CD1-CD2 3.5Å; I554-W618 HydrophobicContact CD1-CE3 3.42Å; I554-W618 VanDerWaalsContact CD1-CE3 3.42Å; I554-W618 HydrophobicContact CD1-CG 4.06Å; I554-W618 HydrophobicContact CD1-CH2 4.09Å; I554-W618 HydrophobicContact CD1-CZ2 4.18Å; I554-W618 HydrophobicContact CD1-CZ3 3.71Å; I554-W618 HydrophobicContact CG1-CD2 3.99Å; I554-W618 HydrophobicContact CG1-CE3 4.06Å; I554-W618 HydrophobicContact CG1-CH2 3.8Å; I554-W618 HydrophobicContact CG1-CZ2 3.73Å; I554-W618 HydrophobicContact CG1-CZ3 3.95Å; I554-W618 HydrophobicContact CG2-CD2 4.46Å; I554-W618 HydrophobicContact CG2-CZ2 4.5Å; T556-W618 HydrophobicContact CG2-CH2 4.07Å; T556-W618 HydrophobicContact CG2-CZ3 4.18Å; F564-W618 HydrophobicContact CD2-CE3 4.42Å; F564-W618 AromaticContact CD2-CZ3 3.67Å; F564-W618 HydrophobicContact CD2-CZ3 3.67Å; F564-W618 HydrophobicContact CE2-CZ3 4.11Å; Q566-W618 HydrophobicContact CB-CD2 4.03Å; Q566-W618 HydrophobicContact CB-CE3 4.18Å; Q566-W618 HydrophobicContact CB-CH2 3.86Å; Q566-W618 HydrophobicContact CB-CZ2 3.67Å; Q566-W618 HydrophobicContact CB-CZ3 4.12Å; Q566-W618 HydrophobicContact CG-CD2 4.29Å; Q566-W618 HydrophobicContact CG-CH2 4.47Å; Q566-W618 HydrophobicContact CG-CZ2 3.78Å; Q566-W618 VanDerWaalsContact OE1-CZ2 3.25Å; C616-W618 VanDerWaalsContact SG-CD1 3.58Å; C616-W618 PolarHBondContact SG-NE1 2.79Å; C616-W618 VanDerWaalsContact SG-NE1 3.42Å; W618-S646 PolarHBondContact N-OG 3.33Å; W618-S646 PolarHBondContact O-N 3.06Å; W618-S646 PolarHBondContact O-OG 3.33Å
619R91.1Very high85.4Confident16 Ų1653.4 Ų53.46%0.0625%0.249CC..EExtended strand (participates in β ladder)trans-127141.1176.7-56.3-175.7-169.790.3-6.3110.2F564 V565 T567 E569 R617 F621 Y644 D645F564-R619 VanDerWaalsContact CA-O 3.24Å; F564-R619 WeakPolarHBondContact CA-O 3.31Å; V565-R619 HydrophobicContact CG1-CB 4.13Å; V565-R619 PolarHBondContact N-O 2.78Å; V565-R619 PolarHBondContact O-N 2.89Å; T567-R619 PolarHBondContact OG1-NH1 2.94Å; E569-R619 IonicContact OE1-NH2 2.72Å; E569-R619 PolarHBondContact OE1-NH2 2.81Å; R617-R619 HydrophobicContact CG-CG 4.4Å; R617-R619 VanDerWaalsContact NE-NH2 3.12Å; R619-F621 HydrophobicContact CB-CD2 4.3Å; R619-F621 HydrophobicContact CB-CE2 3.44Å; R619-F621 VanDerWaalsContact CB-CE2 3.44Å; R619-F621 HydrophobicContact CB-CZ 3.58Å; R619-F621 HydrophobicContact CG-CE2 4.48Å; R619-F621 HydrophobicContact CG-CZ 4.28Å; R619-Y644 WeakPolarHBondContact CA-O 3.43Å; R619-D645 HydrophobicContact CG-CB 4.44Å; R619-D645 IonicContact NE-OD2 3.53Å; R619-D645 PolarHBondContact NE-OD2 3.15Å
620I92.2Very high83.6Confident1 Ų153.6 Ų53.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-120131.1177-54.6172.6000107.8M424 L524 Y559 T562 F564 V643 Y644M424-I620 HydrophobicContact SD-CD1 4.46Å; L524-I620 HydrophobicContact CD1-CG2 4.21Å; Y559-I620 HydrophobicContact CD1-CD1 3.61Å; Y559-I620 HydrophobicContact CD2-CD1 4.44Å; Y559-I620 HydrophobicContact CE1-CD1 3.64Å; Y559-I620 HydrophobicContact CE2-CD1 4.48Å; Y559-I620 HydrophobicContact CG-CD1 4.04Å; T562-I620 HydrophobicContact CG2-CG2 4.21Å; T562-I620 WeakPolarHBondContact OG1-CG2 3.4Å; F564-I620 HydrophobicContact CB-CG1 4.34Å; I620-V643 HydrophobicContact CB-CB 4.47Å; I620-V643 HydrophobicContact CG2-CB 4.28Å; I620-V643 WeakPolarHBondContact O-CB 3.36Å; I620-V643 PolarHBondContact O-N 2.91Å; I620-Y644 HydrophobicContact CD1-CD1 4.2Å; I620-Y644 HydrophobicContact CD1-CG 4.44Å; I620-Y644 HydrophobicContact CG1-CD1 4.37Å; I620-Y644 PolarHBondContact N-O 2.68Å; I620-Y644 PolarHBondContact O-N 2.76Å; I620-Y644 VanDerWaalsContact O-N 3.15Å
621F90.8Very high82.3Confident0 Ų049.2 Ų49.20%024%0.24CC..EExtended strand (participates in β ladder)trans-128.9163.6-177.9-56.7-80000110.7Y563 V565 R619 V625 A630 L637 M641 K642Y563-F621 HydrophobicContact CD1-CB 4.16Å; Y563-F621 AromaticContact CD1-CD2 3.76Å; Y563-F621 HydrophobicContact CD1-CD2 3.76Å; Y563-F621 HydrophobicContact CD1-CG 4.34Å; Y563-F621 HydrophobicContact CE1-CD2 4.14Å; Y563-F621 PolarHBondContact N-O 3.39Å; Y563-F621 VanDerWaalsContact N-O 3.13Å; Y563-F621 WeakPolarHBondContact O-CA 3.37Å; Y563-F621 WeakPolarHBondContact O-CB 3.5Å; Y563-F621 PolarHBondContact O-N 2.9Å; V565-F621 HydrophobicContact CG1-CE2 3.86Å; R619-F621 HydrophobicContact CB-CD2 4.3Å; R619-F621 HydrophobicContact CB-CE2 3.44Å; R619-F621 VanDerWaalsContact CB-CE2 3.44Å; R619-F621 HydrophobicContact CB-CZ 3.58Å; R619-F621 HydrophobicContact CG-CE2 4.48Å; R619-F621 HydrophobicContact CG-CZ 4.28Å; F621-V625 HydrophobicContact CB-CB 3.86Å; F621-V625 HydrophobicContact CB-CG1 4.11Å; F621-V625 HydrophobicContact CB-CG2 3.86Å; F621-V625 HydrophobicContact CG-CG1 4.21Å; F621-A630 HydrophobicContact CD2-CB 4.4Å; F621-A630 HydrophobicContact CE2-CB 3.96Å; F621-A630 HydrophobicContact CZ-CB 4.48Å; F621-L637 HydrophobicContact CD1-CD1 3.97Å; F621-L637 HydrophobicContact CE1-CD1 3.31Å; F621-L637 HydrophobicContact CZ-CD1 3.83Å; F621-M641 WeakPolarHBondContact CA-O 2.97Å; F621-K642 HydrophobicContact CD1-CB 4.14Å; F621-K642 HydrophobicContact CD1-CG 4.37Å; F621-K642 HydrophobicContact CE1-CB 3.99Å; F621-K642 HydrophobicContact CE1-CG 3.94Å
622Y90Very high80.6Confident35 Ų3547.1 Ų47.114%0.13724%0.236CC..  trans-60.5149.1169.2-79.1-93.7000111.8L422 H624 V625 D640 M641 V643L422-Y622 HydrophobicContact CB-CE1 3.98Å; L422-Y622 HydrophobicContact CB-CE2 4.49Å; L422-Y622 HydrophobicContact CD1-CD1 3.8Å; L422-Y622 HydrophobicContact CD1-CE1 4.08Å; L422-Y622 HydrophobicContact CD1-CG 4.1Å; L422-Y622 HydrophobicContact CG-CD1 3.91Å; L422-Y622 HydrophobicContact CG-CE1 3.68Å; L422-Y622 PolarHBondContact N-OH 2.82Å; L422-Y622 PolarHBondContact O-OH 3.37Å; Y622-H624 WeakPolarHBondContact CB-CE1 3.45Å; Y622-H624 AromaticContact CG-CE1 3.94Å; Y622-H624 PolarHBondContact O-N 2.93Å; Y622-V625 WeakPolarHBondContact O-CB 3.4Å; Y622-V625 WeakPolarHBondContact O-CG2 3.46Å; Y622-V625 PolarHBondContact O-N 3.28Å; Y622-D640 VanDerWaalsContact CE2-O 3.27Å; Y622-D640 WeakPolarHBondContact CE2-O 3.37Å; Y622-M641 WeakPolarHBondContact CD2-O 3.07Å; Y622-M641 PolarHBondContact N-O 2.93Å; Y622-V643 HydrophobicContact CD2-CG2 3.68Å; Y622-V643 HydrophobicContact CE2-CG2 3.67Å; Y622-V643 HydrophobicContact CG-CG2 4.42Å
623P83.4Confident78.9Confident68 Ų6849.3 Ų49.344%0.44225%0.248SC..THydrogen-bonded Turntrans-65.1-16.1-170.623.8-34.8000115.3L420 V625L420-P623 HydrophobicContact CD2-CG 4.34Å; P623-V625 VanDerWaalsContact C-N 3.29Å
624H80.6Confident77.2Confident117 Ų11748 Ų4854%0.54224%0.242SC..THydrogen-bonded Turntrans-80.4-11.717661.2-93.5000112.8Y622Y622-H624 WeakPolarHBondContact CB-CE1 3.45Å; Y622-H624 AromaticContact CG-CE1 3.94Å; Y622-H624 PolarHBondContact O-N 2.93Å
625V76.5Confident75.6Confident5 Ų558.4 Ų58.43%0.0328%0.282CS..  trans-69.9132.9173.4178.90000109Y563 F621 Y622 P623 A630 L637 M641Y563-V625 HydrophobicContact CD1-CB 4.19Å; Y563-V625 HydrophobicContact CD1-CG1 3.94Å; Y563-V625 HydrophobicContact CE1-CG1 4.4Å; F621-V625 HydrophobicContact CB-CB 3.86Å; F621-V625 HydrophobicContact CB-CG1 4.11Å; F621-V625 HydrophobicContact CB-CG2 3.86Å; F621-V625 HydrophobicContact CG-CG1 4.21Å; Y622-V625 WeakPolarHBondContact O-CB 3.4Å; Y622-V625 WeakPolarHBondContact O-CG2 3.46Å; Y622-V625 PolarHBondContact O-N 3.28Å; P623-V625 VanDerWaalsContact C-N 3.29Å; V625-A630 HydrophobicContact CG1-CB 4.33Å; V625-L637 HydrophobicContact CG1-CD2 3.92Å; V625-L637 HydrophobicContact CG2-CD2 4.33Å; V625-M641 HydrophobicContact CG2-CB 3.94Å; V625-M641 HydrophobicContact CG2-CG 4.25Å; V625-M641 HydrophobicContact CG2-SD 4.08Å
626T66.8Low74.1Confident73 Ų7363.5 Ų63.545%0.44831%0.308SS..  trans-105.1157.4179.464.10000111R628 I629 A630T626-R628 VanDerWaalsContact C-N 3.27Å; T626-R628 PolarHBondContact O-N 3.1Å; T626-I629 PolarHBondContact O-N 2.91Å; T626-A630 PolarHBondContact O-N 2.83Å
627S61Low72.6Confident62 Ų6264.4 Ų64.443%0.43431%0.313SS..Hα-helixtrans-56.2-37.6-177.8590000114.5Y563 I629 A630 D631Y563-S627 WeakPolarHBondContact OH-CA 3.44Å; Y563-S627 WeakPolarHBondContact OH-CB 3.29Å; S627-I629 PolarHBondContact O-N 3.12Å; S627-A630 PolarHBondContact O-N 2.6Å; S627-D631 PolarHBondContact O-N 3.12Å
628R62Low71.4Confident213 Ų21368.3 Ų68.380%0.80433%0.332SS*.Hα-helixtrans-58.2-32.7177.9-66.4-171.5-147.7-146.93.9112.9T626 L632T626-R628 VanDerWaalsContact C-N 3.27Å; T626-R628 PolarHBondContact O-N 3.1Å; R628-L632 VanDerWaalsContact O-CB 3.26Å; R628-L632 WeakPolarHBondContact O-CB 3.37Å
629I60.9Low70Confident64 Ų6473.7 Ų73.733%0.32837%0.369SS..Hα-helixtrans-83.1-41.6-177.9-54.1174.6000109.7T626 S627 L637T626-I629 PolarHBondContact O-N 2.91Å; S627-I629 PolarHBondContact O-N 3.12Å; I629-L637 HydrophobicContact CB-CD2 4.35Å; I629-L637 HydrophobicContact CG2-CD2 3.36Å; I629-L637 HydrophobicContact CG2-CG 3.91Å
630A55.4Low69Low3 Ų378.2 Ų78.23%0.02540%0.395CS..Hα-helixtrans-70-35.4-176.100000114.4Y563 V565 F621 V625 T626 S627Y563-A630 HydrophobicContact CD1-CB 4.33Å; Y563-A630 HydrophobicContact CE1-CB 3.43Å; Y563-A630 VanDerWaalsContact CE1-CB 3.43Å; V565-A630 HydrophobicContact CG1-CB 4.46Å; F621-A630 HydrophobicContact CD2-CB 4.4Å; F621-A630 HydrophobicContact CE2-CB 3.96Å; F621-A630 HydrophobicContact CZ-CB 4.48Å; V625-A630 HydrophobicContact CG1-CB 4.33Å; T626-A630 PolarHBondContact O-N 2.83Å; S627-A630 PolarHBondContact O-N 2.6Å
631D61.1Low68.6Low78 Ų7879.8 Ų79.842%0.41740%0.402SS..Hα-helixtrans-81-31.1-180-83.6-23000113.6S627S627-D631 PolarHBondContact O-N 3.12Å
632L56.9Low68.4Low116 Ų11683.7 Ų83.761%0.60742%0.419SS*.Hα-helixtrans-73.7-53-167.2-169.567.1000111.9K577 R628 L636K577-L632 WeakPolarHBondContact CE-O 3.37Å; K577-L632 PolarHBondContact NZ-O 2.84Å; R628-L632 VanDerWaalsContact O-CB 3.26Å; R628-L632 WeakPolarHBondContact O-CB 3.37Å; L632-L636 HydrophobicContact CD2-CD1 3.84Å; L632-L636 HydrophobicContact CG-CD1 4.23Å
633D59.3Low68.5Low49 Ų4983.3 Ų83.326%0.26242%0.421SS..  trans-170124.4173.1-162.5-18.5000110R635 L636D633-R635 PolarHBondContact O-N 2.93Å; D633-R635 WeakPolarHBondContact OD1-CB 3.35Å; D633-R635 WeakPolarHBondContact OD1-CG 3.49Å; D633-R635 PolarHBondContact OD1-N 3.08Å; D633-L636 HydrophobicContact CB-CD1 4.14Å; D633-L636 HydrophobicContact CB-CG 4.16Å; D633-L636 WeakPolarHBondContact O-CB 3.37Å; D633-L636 PolarHBondContact O-N 3.29Å
634T59.4Low68.9Low52 Ų5281.1 Ų81.132%0.31940%0.404SS..G310 helixtrans-61.4-17.917451.80000112.5L636 L637T634-L636 PolarHBondContact O-N 2.7Å; T634-L637 HydrophobicContact CG2-CD1 4.26Å; T634-L637 WeakPolarHBondContact O-CB 3.4Å; T634-L637 PolarHBondContact O-N 3.18Å
635R64Low69.5Low219 Ų21975.8 Ų75.883%0.82638%0.379SS*.G310 helixtrans-68.6-18.2173.4-62.6176-180-170.11.3113.8D633D633-R635 PolarHBondContact O-N 2.93Å; D633-R635 WeakPolarHBondContact OD1-CB 3.35Å; D633-R635 WeakPolarHBondContact OD1-CG 3.49Å; D633-R635 PolarHBondContact OD1-N 3.08Å
636L63.4Low70.3Confident115 Ų11575.5 Ų75.560%0.60238%0.378SS*.G310 helixtrans-86.4-13.8175.2-65.5170.4000112.6L632 D633 T634L632-L636 HydrophobicContact CD2-CD1 3.84Å; L632-L636 HydrophobicContact CG-CD1 4.23Å; D633-L636 HydrophobicContact CB-CD1 4.14Å; D633-L636 HydrophobicContact CB-CG 4.16Å; D633-L636 WeakPolarHBondContact O-CB 3.37Å; D633-L636 PolarHBondContact O-N 3.29Å; T634-L636 PolarHBondContact O-N 2.7Å
637L64.8Low71.4Confident18 Ų1875.9 Ų75.99%0.09437%0.374CS..SBendtrans-75.5140.7175.8-71.2163.2000109.7F621 V625 I629 T634 M641F621-L637 HydrophobicContact CD1-CD1 3.97Å; F621-L637 HydrophobicContact CE1-CD1 3.31Å; F621-L637 HydrophobicContact CZ-CD1 3.83Å; V625-L637 HydrophobicContact CG1-CD2 3.92Å; V625-L637 HydrophobicContact CG2-CD2 4.33Å; I629-L637 HydrophobicContact CB-CD2 4.35Å; I629-L637 HydrophobicContact CG2-CD2 3.36Å; I629-L637 HydrophobicContact CG2-CG 3.91Å; T634-L637 HydrophobicContact CG2-CD1 4.26Å; T634-L637 WeakPolarHBondContact O-CB 3.4Å; T634-L637 PolarHBondContact O-N 3.18Å; L637-M641 HydrophobicContact CD2-CB 4.26Å; L637-M641 HydrophobicContact CD2-SD 3.94Å
638E66.7Low72.9Confident117 Ų11777.3 Ų77.355%0.54738%0.377SS..  trans-63.6137.6166.4-59.5-179.5162.500108.2D640 M641E638-D640 WeakPolarHBondContact CB-OD1 3.46Å; E638-D640 PolarHBondContact O-N 3.27Å; E638-M641 HydrophobicContact CB-CE 4.11Å; E638-M641 HydrophobicContact CB-CG 4.12Å; E638-M641 HydrophobicContact CB-SD 4.18Å; E638-M641 HydrophobicContact CG-CE 4.03Å; E638-M641 HydrophobicContact CG-SD 4.48Å; E638-M641 WeakPolarHBondContact O-CB 3.29Å; E638-M641 PolarHBondContact O-N 3.08Å; E638-M641 WeakPolarHBondContact OE2-CE 3.39Å
639P63.5Low74.4Confident127 Ų12768.7 Ų68.783%0.82535%0.347SS*.THydrogen-bonded Turntrans-55.5-25.5-172-27.234000114.8
640D70.7Confident75.9Confident111 Ų11171.7 Ų71.759%0.59437%0.368SS*.THydrogen-bonded Turntrans-85.3-6.7-179.460.2-33000114.2Y622 E638Y622-D640 VanDerWaalsContact CE2-O 3.27Å; Y622-D640 WeakPolarHBondContact CE2-O 3.37Å; E638-D640 WeakPolarHBondContact CB-OD1 3.46Å; E638-D640 PolarHBondContact O-N 3.27Å
641M83.5Confident77.6Confident33 Ų3379.1 Ų79.116%0.16340%0.4CS..THydrogen-bonded Turntrans-81-25176.6-69-177.4176.400113.5F621 Y622 V625 L637 E638F621-M641 WeakPolarHBondContact CA-O 2.97Å; Y622-M641 WeakPolarHBondContact CD2-O 3.07Å; Y622-M641 PolarHBondContact N-O 2.93Å; V625-M641 HydrophobicContact CG2-CB 3.94Å; V625-M641 HydrophobicContact CG2-CG 4.25Å; V625-M641 HydrophobicContact CG2-SD 4.08Å; L637-M641 HydrophobicContact CD2-CB 4.26Å; L637-M641 HydrophobicContact CD2-SD 3.94Å; E638-M641 HydrophobicContact CB-CE 4.11Å; E638-M641 HydrophobicContact CB-CG 4.12Å; E638-M641 HydrophobicContact CB-SD 4.18Å; E638-M641 HydrophobicContact CG-CE 4.03Å; E638-M641 HydrophobicContact CG-SD 4.48Å; E638-M641 WeakPolarHBondContact O-CB 3.29Å; E638-M641 PolarHBondContact O-N 3.08Å; E638-M641 WeakPolarHBondContact OE2-CE 3.39Å
642K87.4Confident79.2Confident82 Ų8276.4 Ų76.436%0.35739%0.385SS..EExtended strand (participates in β ladder)trans-84.9119.5179.2-172.3-170.879.1167.90110F621 D645 D648F621-K642 HydrophobicContact CD1-CB 4.14Å; F621-K642 HydrophobicContact CD1-CG 4.37Å; F621-K642 HydrophobicContact CE1-CB 3.99Å; F621-K642 HydrophobicContact CE1-CG 3.94Å; K642-D645 HydrophobicContact CD-CB 4.08Å; K642-D648 IonicContact NZ-OD2 2.82Å; K642-D648 PolarHBondContact NZ-OD2 3.19Å
643V90.8Very high81Confident28 Ų2873.3 Ų73.317%0.1737%0.367CS..EExtended strand (participates in β ladder)trans-91.2-43177.4-176.80000110.7L422 M424 L524 I620 Y622L422-V643 HydrophobicContact CB-CG1 3.92Å; L422-V643 HydrophobicContact CB-CG2 3.74Å; L422-V643 HydrophobicContact CD1-CG2 3.93Å; L422-V643 HydrophobicContact CG-CG2 4.46Å; M424-V643 HydrophobicContact SD-CG1 4.48Å; L524-V643 HydrophobicContact CD1-CG1 4.14Å; I620-V643 HydrophobicContact CB-CB 4.47Å; I620-V643 HydrophobicContact CG2-CB 4.28Å; I620-V643 WeakPolarHBondContact O-CB 3.36Å; I620-V643 PolarHBondContact O-N 2.91Å; Y622-V643 HydrophobicContact CD2-CG2 3.68Å; Y622-V643 HydrophobicContact CE2-CG2 3.67Å; Y622-V643 HydrophobicContact CG-CG2 4.42Å
644Y93.1Very high82.7Confident21 Ų2174.3 Ų74.38%0.08238%0.376CS..EExtended strand (participates in β ladder)trans-151.1147.8-177176.4-90.3000111.3M424 I527 R619 I620 S646 D649M424-Y644 HydrophobicContact CE-CD2 3.84Å; M424-Y644 HydrophobicContact CE-CE2 4.27Å; M424-Y644 HydrophobicContact CE-CG 4.15Å; M424-Y644 HydrophobicContact CG-CD2 3.87Å; M424-Y644 HydrophobicContact CG-CG 4.29Å; M424-Y644 HydrophobicContact SD-CD2 4.12Å; M424-Y644 HydrophobicContact SD-CG 4.12Å; I527-Y644 HydrophobicContact CD1-CD1 3.84Å; I527-Y644 HydrophobicContact CD1-CE1 3.16Å; I527-Y644 HydrophobicContact CG1-CD1 4.5Å; I527-Y644 HydrophobicContact CG1-CE1 3.92Å; R619-Y644 WeakPolarHBondContact CA-O 3.43Å; I620-Y644 HydrophobicContact CD1-CD1 4.2Å; I620-Y644 HydrophobicContact CD1-CG 4.44Å; I620-Y644 HydrophobicContact CG1-CD1 4.37Å; I620-Y644 PolarHBondContact N-O 2.68Å; I620-Y644 PolarHBondContact O-N 2.76Å; I620-Y644 VanDerWaalsContact O-N 3.15Å; Y644-S646 VanDerWaalsContact CE1-N 3.31Å; Y644-D649 HydrophobicContact CE2-CB 4.08Å; Y644-D649 WeakPolarHBondContact OH-CB 3.48Å; Y644-D649 PolarHBondContact OH-OD2 2.87Å
645D91.9Very high84.4Confident5 Ų574.9 Ų74.93%0.02738%0.377CS..EExtended strand (participates in β ladder)trans-141.3121.5171.8-166.1-34.5000109.2R617 R619 K642 H647 D648R617-D645 WeakPolarHBondContact CG-OD1 3.27Å; R617-D645 IonicContact CZ-OD1 2.73Å; R617-D645 IonicContact CZ-OD2 3.35Å; R617-D645 VanDerWaalsContact CZ-OD2 3.28Å; R617-D645 IonicContact NE-OD1 3.74Å; R617-D645 PolarHBondContact NE-OD1 2.94Å; R617-D645 IonicContact NE-OD2 3.26Å; R617-D645 PolarHBondContact NE-OD2 2.76Å; R617-D645 VanDerWaalsContact NE-OD2 3.12Å; R617-D645 IonicContact NH2-OD1 3.47Å; R617-D645 IonicContact NH2-OD2 2.77Å; R617-D645 PolarHBondContact NH2-OD2 3.07Å; R619-D645 HydrophobicContact CG-CB 4.44Å; R619-D645 IonicContact NE-OD2 3.53Å; R619-D645 PolarHBondContact NE-OD2 3.15Å; K642-D645 HydrophobicContact CD-CB 4.08Å; D645-H647 PolarHBondContact O-N 2.88Å; D645-H647 VanDerWaalsContact O-N 3.1Å; D645-H647 VanDerWaalsContact OD1-CB 3.3Å; D645-H647 WeakPolarHBondContact OD1-CB 3.31Å; D645-H647 PolarHBondContact OD1-N 3.04Å; D645-D648 PolarHBondContact O-N 2.9Å
646S93.4Very high85.9Confident0 Ų064.5 Ų64.50%034%0.338CS..THydrogen-bonded Turntrans-64.2-16.4-177.968.10000113.6R617 W618 Y644 H653R617-S646 WeakPolarHBondContact CA-OG 3.34Å; W618-S646 PolarHBondContact N-OG 3.33Å; W618-S646 PolarHBondContact O-N 3.06Å; W618-S646 PolarHBondContact O-OG 3.33Å; Y644-S646 VanDerWaalsContact CE1-N 3.31Å; S646-H653 WeakPolarHBondContact O-CB 3.37Å
647H90.8Very high87.5Confident80 Ų8060.1 Ų60.137%0.3732%0.316SS..THydrogen-bonded Turntrans-71.5-33.3173.2-175.775.1000112.6R617 D645 D649 H653R617-H647 HydrophobicContact CG-CB 4.34Å; D645-H647 PolarHBondContact O-N 2.88Å; D645-H647 VanDerWaalsContact O-N 3.1Å; D645-H647 VanDerWaalsContact OD1-CB 3.3Å; D645-H647 WeakPolarHBondContact OD1-CB 3.31Å; D645-H647 PolarHBondContact OD1-N 3.04Å; H647-D649 VanDerWaalsContact C-N 3.34Å; H647-H653 AromaticContact ND1-CE1 3.39Å; H647-H653 PolarHBondContact ND1-CE1 2.82Å; H647-H653 AromaticContact ND1-ND1 3.83Å; H647-H653 AromaticContact ND1-NE2 3.79Å
648D91.2Very high89Confident92 Ų9259.3 Ų59.349%0.49231%0.312SS..THydrogen-bonded Turntrans-82.3-16.2-178.1-59.6-27.3000111.7K642 D645 V650K642-D648 IonicContact NZ-OD2 2.82Å; K642-D648 PolarHBondContact NZ-OD2 3.19Å; D645-D648 PolarHBondContact O-N 2.9Å; D648-V650 PolarHBondContact O-N 3.08Å
649D93.4Very high90.5Very high33 Ų3355.4 Ų55.418%0.17630%0.3CS..  trans-83.9104.9177.2-172-37.9000111.4Y644 H647 K651 I652 H653Y644-D649 HydrophobicContact CE2-CB 4.08Å; Y644-D649 WeakPolarHBondContact OH-CB 3.48Å; Y644-D649 PolarHBondContact OH-OD2 2.87Å; H647-D649 VanDerWaalsContact C-N 3.34Å; D649-K651 PolarHBondContact O-N 3.28Å; D649-K651 VanDerWaalsContact O-N 3.12Å; D649-K651 WeakPolarHBondContact OD1-CA 3.47Å; D649-K651 WeakPolarHBondContact OD1-CB 3.41Å; D649-K651 PolarHBondContact OD1-N 2.68Å; D649-I652 HydrophobicContact CB-CB 4.03Å; D649-I652 HydrophobicContact CB-CG1 4.36Å; D649-I652 PolarHBondContact O-N 3.26Å; D649-I652 PolarHBondContact OD1-N 3.43Å; D649-I652 WeakPolarHBondContact OD2-CG1 3.35Å; D649-H653 WeakPolarHBondContact O-CB 3.42Å; D649-H653 PolarHBondContact O-N 2.81Å
650V92.9Very high92Very high127 Ų12749.4 Ų49.477%0.7726%0.261SS*.THydrogen-bonded Turntrans-57.2-27.7-178.8-178.40000113.5D648 P654D648-V650 PolarHBondContact O-N 3.08Å; V650-P654 WeakPolarHBondContact O-CD 3.31Å; V650-P654 WeakPolarHBondContact O-CG 2.82Å
651K92.1Very high93.1Very high159 Ų15945.3 Ų45.369%0.69124%0.239SC*.THydrogen-bonded Turntrans-87.8-36.7-178.5-64.8-179.5-179.8178.30112D649D649-K651 PolarHBondContact O-N 3.28Å; D649-K651 VanDerWaalsContact O-N 3.12Å; D649-K651 WeakPolarHBondContact OD1-CA 3.47Å; D649-K651 WeakPolarHBondContact OD1-CB 3.41Å; D649-K651 PolarHBondContact OD1-N 2.68Å
652I93.8Very high93.5Very high20 Ų2044.1 Ų44.110%0.10323%0.233CC..THydrogen-bonded Turntrans-85.6-37.4-177.3-62.7-64.9000111.6I529 D649 L655 M656I529-I652 HydrophobicContact CD1-CD1 4.12Å; I529-I652 HydrophobicContact CD1-CG2 4.24Å; D649-I652 HydrophobicContact CB-CB 4.03Å; D649-I652 HydrophobicContact CB-CG1 4.36Å; D649-I652 PolarHBondContact O-N 3.26Å; D649-I652 PolarHBondContact OD1-N 3.43Å; D649-I652 WeakPolarHBondContact OD2-CG1 3.35Å; I652-L655 WeakPolarHBondContact O-CB 3.22Å; I652-L655 PolarHBondContact O-N 3.3Å; I652-M656 HydrophobicContact CG2-CE 3.91Å; I652-M656 HydrophobicContact CG2-CG 3.66Å; I652-M656 WeakPolarHBondContact O-CG 3.48Å; I652-M656 PolarHBondContact O-N 2.85Å
653H94.1Very high93.6Very high51 Ų5144.2 Ų44.224%0.23624%0.235CC..THydrogen-bonded Turntrans-52.8-46.3-176.5-176.251.8000113.5S646 H647 D649 L655 M656 T657S646-H653 WeakPolarHBondContact O-CB 3.37Å; H647-H653 AromaticContact ND1-CE1 3.39Å; H647-H653 PolarHBondContact ND1-CE1 2.82Å; H647-H653 AromaticContact ND1-ND1 3.83Å; H647-H653 AromaticContact ND1-NE2 3.79Å; D649-H653 WeakPolarHBondContact O-CB 3.42Å; D649-H653 PolarHBondContact O-N 2.81Å; H653-L655 VanDerWaalsContact C-N 3.27Å; H653-L655 PolarHBondContact O-N 3.22Å; H653-M656 CarbonylContact O-C 3.57Å; H653-M656 PolarHBondContact O-N 2.84Å; H653-T657 PolarHBondContact O-N 3.06Å; H653-T657 PolarHBondContact O-OG1 3.05Å
654P95.3Very high93.4Very high70 Ų7045.5 Ų45.546%0.45524%0.242SC..THydrogen-bonded Turntrans-66.4-24.9178.2-20.433.8000114.4V650V650-P654 WeakPolarHBondContact O-CD 3.31Å; V650-P654 WeakPolarHBondContact O-CG 2.82Å
655L95.5Very high92.7Very high65 Ų6548 Ų4834%0.3426%0.257SS..THydrogen-bonded Turntrans-78.3-28.1174.5-59175.9000111.1I529 K534 I652 H653 T657I529-L655 HydrophobicContact CD1-CB 3.83Å; I529-L655 HydrophobicContact CD1-CD1 3.95Å; K534-L655 WeakPolarHBondContact CB-O 3.3Å; K534-L655 HydrophobicContact CD-CD2 4.02Å; K534-L655 PolarHBondContact N-O 2.66Å; I652-L655 WeakPolarHBondContact O-CB 3.22Å; I652-L655 PolarHBondContact O-N 3.3Å; H653-L655 VanDerWaalsContact C-N 3.27Å; H653-L655 PolarHBondContact O-N 3.22Å; L655-T657 VanDerWaalsContact C-N 3.31Å
656M95.5Very high91.5Very high0 Ų055.5 Ų55.50%029%0.292CS..SBendtrans-85.2-1.3178.2-66.8-61.2-175.100113.9I527 I529 I554 T615 C616 I652 H653I527-M656 HydrophobicContact CG2-CE 4.23Å; I529-M656 HydrophobicContact CB-CE 4.44Å; I529-M656 HydrophobicContact CD1-CE 3.52Å; I529-M656 HydrophobicContact CD1-SD 4.27Å; I529-M656 HydrophobicContact CG1-CE 3.53Å; I529-M656 HydrophobicContact CG2-CE 4.18Å; I554-M656 HydrophobicContact CG2-CE 3.83Å; T615-M656 CarbonylContact C-O 3.56Å; T615-M656 WeakPolarHBondContact CA-O 3.41Å; C616-M656 HydrophobicContact CB-SD 4.45Å; C616-M656 PolarHBondContact N-O 3.12Å; C616-M656 WeakPolarHBondContact O-CB 3.49Å; I652-M656 HydrophobicContact CG2-CE 3.91Å; I652-M656 HydrophobicContact CG2-CG 3.66Å; I652-M656 WeakPolarHBondContact O-CG 3.48Å; I652-M656 PolarHBondContact O-N 2.85Å; H653-M656 CarbonylContact O-C 3.57Å; H653-M656 PolarHBondContact O-N 2.84Å
657T97.1Very high89.7Confident23 Ų2362.3 Ų62.314%0.14133%0.328CS..EExtended strand (participates in β ladder)trans-116.1121.3179.2-60.30000110.7N613 V614 T615 H653 L655N613-T657 HydrophobicContact CB-CG2 3.75Å; V614-T657 CarbonylContact O-C 3.58Å; V614-T657 WeakPolarHBondContact O-CA 3.49Å; T615-T657 WeakPolarHBondContact CG2-OG1 3.46Å; T615-T657 WeakPolarHBondContact OG1-CG2 3.38Å; T615-T657 PolarHBondContact OG1-OG1 3.12Å; H653-T657 PolarHBondContact O-N 3.06Å; H653-T657 PolarHBondContact O-OG1 3.05Å; L655-T657 VanDerWaalsContact C-N 3.31Å
658A97.3Very high87.6Confident1 Ų163.6 Ų63.61%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-94.6144.2169.900000110.4P533 S537 F550 N613 V614P533-A658 HydrophobicContact CB-CB 4.21Å; P533-A658 WeakPolarHBondContact O-CB 3.38Å; S537-A658 WeakPolarHBondContact OG-CA 3.24Å; F550-A658 HydrophobicContact CD1-CB 3.48Å; F550-A658 VanDerWaalsContact CD1-CB 3.48Å; F550-A658 HydrophobicContact CE1-CB 3.5Å; N613-A658 WeakPolarHBondContact CA-O 3.26Å; V614-A658 HydrophobicContact CB-CB 4.29Å; V614-A658 PolarHBondContact N-O 3.19Å; V614-A658 PolarHBondContact O-N 3.18Å
659A96.6Very high85.4Confident36 Ų3664.3 Ų64.330%0.29835%0.351SS..EExtended strand (participates in β ladder)trans-94.2129.9170.700000110S537 C538 T539S537-A659 CarbonylContact C-O 3.53Å; S537-A659 VanDerWaalsContact CA-O 3.27Å; S537-A659 WeakPolarHBondContact CA-O 2.96Å; S537-A659 WeakPolarHBondContact CB-O 3.38Å; S537-A659 PolarHBondContact OG-N 2.9Å; C538-A659 PolarHBondContact N-O 3.11Å; T539-A659 HydrophobicContact CG2-CB 3.8Å
660L95.4Very high83.2Confident1 Ų168 Ų681%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-122.9128.5176.1177.667.5000109.8C538 C542 F550 I597 F609 K611 V612 V614 L662C538-L660 HydrophobicContact CB-CD1 4.16Å; C538-L660 CarbonylContact O-C 3.47Å; C538-L660 VanDerWaalsContact O-CA 3.28Å; C538-L660 WeakPolarHBondContact O-CA 3.48Å; C542-L660 VanDerWaalsContact SG-CD1 3.56Å; F550-L660 HydrophobicContact CZ-CB 4.26Å; F550-L660 HydrophobicContact CZ-CD1 4.2Å; F550-L660 HydrophobicContact CZ-CD2 4.34Å; I597-L660 HydrophobicContact CD1-CD2 3.22Å; F609-L660 HydrophobicContact CB-CD2 4.18Å; F609-L660 HydrophobicContact CD1-CD2 4.12Å; K611-L660 CarbonylContact C-O 3.49Å; K611-L660 VanDerWaalsContact CA-O 3.31Å; K611-L660 WeakPolarHBondContact CA-O 3.5Å; K611-L660 PolarHBondContact N-O 3.37Å; V612-L660 PolarHBondContact N-O 2.99Å; V612-L660 PolarHBondContact O-N 2.8Å; V614-L660 HydrophobicContact CG2-CB 4.1Å; V614-L660 HydrophobicContact CG2-CD2 4.33Å; L660-L662 HydrophobicContact CD1-CD2 3.83Å; L660-L662 HydrophobicContact CD1-CG 4.13Å; L660-L662 HydrophobicContact CD2-CG 4.36Å; L660-L662 HydrophobicContact CG-CD2 4.5Å; L660-L662 HydrophobicContact CG-CG 4.26Å
661D94.6Very high81Confident25 Ų2566.4 Ų66.413%0.13438%0.378CS..  trans-135.783.9173.1-161.613.3000109.9C538 T539 C542 R610 K611C538-D661 PolarHBondContact O-N 3.24Å; T539-D661 HydrophobicContact CG2-CB 4.41Å; C542-D661 WeakPolarHBondContact CB-O 3.34Å; R610-D661 VanDerWaalsContact CA-OD1 3.32Å; R610-D661 WeakPolarHBondContact CA-OD1 3.29Å; R610-D661 WeakPolarHBondContact CG-OD1 3.5Å; K611-D661 HydrophobicContact CG-CB 4.48Å; K611-D661 WeakPolarHBondContact CG-OD2 3.4Å; K611-D661 PolarHBondContact N-OD1 3.07Å
662L92.4Very high78.9Confident8 Ų863.3 Ų63.34%0.04238%0.376CS..  trans-63.7136.1-178.5-70.3-174.3000111.6C542 H548 V600 T606 F609 L660C542-L662 WeakPolarHBondContact O-CA 3.31Å; H548-L662 VanDerWaalsContact CD2-CD2 3.48Å; H548-L662 WeakPolarHBondContact CD2-CD2 3.28Å; H548-L662 WeakPolarHBondContact NE2-CD2 3.42Å; V600-L662 HydrophobicContact CG2-CD1 4.17Å; T606-L662 HydrophobicContact CG2-CB 3.66Å; F609-L662 HydrophobicContact CB-CB 4.06Å; F609-L662 HydrophobicContact CB-CD1 3.42Å; F609-L662 VanDerWaalsContact CB-CD1 3.42Å; F609-L662 HydrophobicContact CB-CG 3.68Å; F609-L662 HydrophobicContact CD2-CD1 3.93Å; F609-L662 HydrophobicContact CG-CD1 3.83Å; F609-L662 PolarHBondContact O-N 3.47Å; F609-L662 VanDerWaalsContact O-N 3.14Å; L660-L662 HydrophobicContact CD1-CD2 3.83Å; L660-L662 HydrophobicContact CD1-CG 4.13Å; L660-L662 HydrophobicContact CD2-CG 4.36Å; L660-L662 HydrophobicContact CG-CD2 4.5Å; L660-L662 HydrophobicContact CG-CG 4.26Å
663Q87.9Confident76.7Confident84 Ų8466.1 Ų66.139%0.39340%0.402SS..BIsolated β-bridgetrans-118.8146.7177.5-55.3-174.218.500109.5T539 C542 N544 D665T539-Q663 PolarHBondContact O-NE2 3.07Å; C542-Q663 PolarHBondContact O-N 3.44Å; N544-Q663 PolarHBondContact N-O 2.9Å; N544-Q663 PolarHBondContact OD1-O 2.81Å; Q663-D665 PolarHBondContact O-N 3.32Å
664V86.4Confident74.6Confident54 Ų5470.1 Ų70.133%0.32743%0.425SS..  trans-71.8128.5175.7178.80000108.2P603 T606 H666P603-V664 HydrophobicContact CB-CG1 3.92Å; P603-V664 HydrophobicContact CB-CG2 4.05Å; P603-V664 HydrophobicContact CG-CG1 4.43Å; T606-V664 HydrophobicContact CG2-CG2 4.2Å; V664-H666 PolarHBondContact O-N 3.43Å
665D79.3Confident72.9Confident74 Ų7472 Ų7240%0.39643%0.43SS..  trans-61.199.3171.3-157.6-5.1000108.8L543 N544 S545 Q663 D667L543-D665 HydrophobicContact CD2-CB 4.42Å; N544-D665 WeakPolarHBondContact OD1-CB 3.37Å; N544-D665 PolarHBondContact OD1-N 3.16Å; S545-D665 PolarHBondContact OG-OD2 2.71Å; Q663-D665 PolarHBondContact O-N 3.32Å; D665-D667 PolarHBondContact O-N 3.07Å
666H67.5Low71.4Confident163 Ų16373 Ų7376%0.75544%0.443SS*.  trans-79.7103.6171.7-84.3-55.5000107.2V664 P668V664-H666 PolarHBondContact O-N 3.43Å; H666-P668 VanDerWaalsContact O-CD 3.22Å; H666-P668 WeakPolarHBondContact O-CD 3.38Å
667D55.7Low70.3Confident142 Ų14281.1 Ų81.176%0.75947%0.474SS*.  trans-52.9115.9163.8-123.1-22.1000107.6D665 T669D665-D667 PolarHBondContact O-N 3.07Å; D667-T669 PolarHBondContact O-N 2.8Å
668P47Very low69.3Low108 Ų10883.2 Ų83.270%0.70148%0.483SS*.SBendtrans-81.568.6-179.334.6-31.9000107.6H666 P670H666-P668 VanDerWaalsContact O-CD 3.22Å; H666-P668 WeakPolarHBondContact O-CD 3.38Å; P668-P670 VanDerWaalsContact C-CD 3.44Å
669T44.2Very low68.3Low106 Ų10686.7 Ų86.765%0.6550%0.504SS*.  trans-114.188.4142.354.70000106.2D667 A671D667-T669 PolarHBondContact O-N 2.8Å; T669-A671 VanDerWaalsContact C-N 3.33Å; T669-A671 PolarHBondContact O-N 3.19Å
670P46.6Very low67.5Low110 Ų11087.9 Ų87.971%0.71451%0.514SS*.  trans-48.8119.7140.825.1-30.6000103.5P668 S672P668-P670 VanDerWaalsContact C-CD 3.44Å; P670-S672 PolarHBondContact O-N 2.73Å
671A46.3Very low67.3Low95 Ų9591.4 Ų91.479%0.78554%0.536SS*.  trans-43.599.4178.300000107.4T669 A673T669-A671 VanDerWaalsContact C-N 3.33Å; T669-A671 PolarHBondContact O-N 3.19Å; A671-A673 PolarHBondContact O-N 2.83Å
672S48.7Very low67Low94 Ų9494.6 Ų94.666%0.65755%0.552SS**  trans-68.997.6168.343.20000100.2P670 N674P670-S672 PolarHBondContact O-N 2.73Å; S672-N674 PolarHBondContact O-N 2.01Å
673A48Very low66.9Low78 Ų7899.2 Ų99.265%0.64558%0.575SS**  trans-42.5118.9175.200000105.6A671 I675A671-A673 PolarHBondContact O-N 2.83Å; A673-I675 VanDerWaalsContact C-N 3.32Å; A673-I675 WeakPolarHBondContact O-CG1 3.43Å; A673-I675 PolarHBondContact O-N 3.17Å
674N49.2Very low67.1Low136 Ų13696.8 Ų96.873%0.72757%0.573SS**  trans-5696.2-172.3-91-35.4000109.1S672 S676 W677S672-N674 PolarHBondContact O-N 2.01Å; N674-S676 PolarHBondContact O-N 2.91Å; N674-W677 VanDerWaalsContact O-CD1 3.25Å
675I59.3Low67.4Low108 Ų10898.5 Ų98.555%0.55458%0.579SS**THydrogen-bonded Turntrans-68.40.3177-69.5163.4000110.6A673 W677 I678 T679A673-I675 VanDerWaalsContact C-N 3.32Å; A673-I675 WeakPolarHBondContact O-CG1 3.43Å; A673-I675 PolarHBondContact O-N 3.17Å; I675-W677 PolarHBondContact O-N 3.39Å; I675-W677 VanDerWaalsContact O-N 3.13Å; I675-I678 HydrophobicContact CG1-CD1 4.33Å; I675-I678 HydrophobicContact CG2-CB 3.94Å; I675-I678 HydrophobicContact CG2-CD1 4.19Å; I675-I678 HydrophobicContact CG2-CG1 4.47Å; I675-I678 HydrophobicContact CG2-CG2 4.46Å; I675-I678 WeakPolarHBondContact O-CA 3.34Å; I675-I678 WeakPolarHBondContact O-CB 3.4Å; I675-I678 PolarHBondContact O-N 3.26Å; I675-T679 PolarHBondContact O-N 2.92Å; I675-T679 VanDerWaalsContact O-N 3.14Å; I675-T679 PolarHBondContact O-OG1 2.93Å
676S64.6Low68.1Low86 Ų86100.2 Ų100.260%0.60159%0.588SS**Hα-helixtrans-48.8-39.4176-1740000113.3N674 T679 A680N674-S676 PolarHBondContact O-N 2.91Å; S676-T679 WeakPolarHBondContact CA-OG1 3.23Å; S676-T679 PolarHBondContact O-OG1 2.96Å; S676-A680 PolarHBondContact O-N 3.48Å
677W72.9Confident69.4Low172 Ų17296.1 Ų96.165%0.65257%0.574SS**Hα-helixtrans-71.4-33.4177.374.5-92.7000112.9N674 I675 A680 V681N674-W677 VanDerWaalsContact O-CD1 3.25Å; I675-W677 PolarHBondContact O-N 3.39Å; I675-W677 VanDerWaalsContact O-N 3.13Å; W677-A680 PolarHBondContact O-N 3.48Å; W677-V681 HydrophobicContact CE3-CG2 4Å; W677-V681 HydrophobicContact CZ3-CG2 4.29Å; W677-V681 WeakPolarHBondContact O-CG2 3.32Å; W677-V681 PolarHBondContact O-N 3.04Å
678I76Confident71.2Confident66 Ų6695.1 Ų95.134%0.33857%0.567SS.*Hα-helixtrans-67.4-41.3177.8-60.9175.7000110I675 A680 V681 I682I675-I678 HydrophobicContact CG1-CD1 4.33Å; I675-I678 HydrophobicContact CG2-CB 3.94Å; I675-I678 HydrophobicContact CG2-CD1 4.19Å; I675-I678 HydrophobicContact CG2-CG1 4.47Å; I675-I678 HydrophobicContact CG2-CG2 4.46Å; I675-I678 WeakPolarHBondContact O-CA 3.34Å; I675-I678 WeakPolarHBondContact O-CB 3.4Å; I675-I678 PolarHBondContact O-N 3.26Å; I678-A680 VanDerWaalsContact C-N 3.33Å; I678-A680 PolarHBondContact O-N 2.99Å; I678-V681 PolarHBondContact O-N 2.88Å; I678-I682 HydrophobicContact CG2-CD1 3.97Å; I678-I682 WeakPolarHBondContact O-CG1 3.45Å; I678-I682 PolarHBondContact O-N 3.05Å
679T76.1Confident73.4Confident75 Ų7594.8 Ų94.846%0.4656%0.559SS.*Hα-helixtrans-61.4-39.4172.427.80000112.5I675 S676 I682 I683I675-T679 PolarHBondContact O-N 2.92Å; I675-T679 VanDerWaalsContact O-N 3.14Å; I675-T679 PolarHBondContact O-OG1 2.93Å; S676-T679 WeakPolarHBondContact CA-OG1 3.23Å; S676-T679 PolarHBondContact O-OG1 2.96Å; T679-I682 PolarHBondContact O-N 3.1Å; T679-I683 WeakPolarHBondContact O-CD1 3.41Å; T679-I683 VanDerWaalsContact O-CG1 3.23Å; T679-I683 WeakPolarHBondContact O-CG1 3.03Å; T679-I683 PolarHBondContact O-N 3.21Å
680A80.4Confident75.7Confident61 Ų6192.5 Ų92.550%0.50455%0.551SS.*Hα-helixtrans-65.2-39.617600000112.4S676 W677 I678 I683 G684S676-A680 PolarHBondContact O-N 3.48Å; W677-A680 PolarHBondContact O-N 3.48Å; I678-A680 VanDerWaalsContact C-N 3.33Å; I678-A680 PolarHBondContact O-N 2.99Å; A680-I683 PolarHBondContact O-N 3.35Å; A680-G684 PolarHBondContact O-N 2.78Å
681V89.5Confident77.8Confident75 Ų7591.9 Ų91.946%0.45554%0.541SS..Hα-helixtrans-65.8-43.8176.6172.20000111.4W677 I678 I683 G684 I685W677-V681 HydrophobicContact CE3-CG2 4Å; W677-V681 HydrophobicContact CZ3-CG2 4.29Å; W677-V681 WeakPolarHBondContact O-CG2 3.32Å; W677-V681 PolarHBondContact O-N 3.04Å; I678-V681 PolarHBondContact O-N 2.88Å; V681-I683 VanDerWaalsContact C-N 3.35Å; V681-I683 PolarHBondContact O-N 2.81Å; V681-G684 PolarHBondContact O-N 2.9Å; V681-I685 HydrophobicContact CG1-CD1 4.02Å; V681-I685 WeakPolarHBondContact O-CG1 3.29Å; V681-I685 PolarHBondContact O-N 3.09Å
682I89.1Confident79.9Confident91 Ų9189.1 Ų89.147%0.46752%0.521SS..Hα-helixtrans-62.8-42.9177.7-68168.4000110.9I678 T679 G684 I685 L686I678-I682 HydrophobicContact CG2-CD1 3.97Å; I678-I682 WeakPolarHBondContact O-CG1 3.45Å; I678-I682 PolarHBondContact O-N 3.05Å; T679-I682 PolarHBondContact O-N 3.1Å; I682-G684 VanDerWaalsContact C-N 3.34Å; I682-G684 PolarHBondContact O-N 3.03Å; I682-I685 PolarHBondContact O-N 2.73Å; I682-L686 HydrophobicContact CG2-CD1 4.28Å; I682-L686 WeakPolarHBondContact O-CG 3.39Å; I682-L686 PolarHBondContact O-N 3.42Å
683I90.3Very high81.8Confident105 Ų10588.6 Ų88.654%0.53851%0.513SS..Hα-helixtrans-63.1-42.1175.7-68.1166.1000110.5T679 A680 V681 I685 L686 V687T679-I683 WeakPolarHBondContact O-CD1 3.41Å; T679-I683 VanDerWaalsContact O-CG1 3.23Å; T679-I683 WeakPolarHBondContact O-CG1 3.03Å; T679-I683 PolarHBondContact O-N 3.21Å; A680-I683 PolarHBondContact O-N 3.35Å; V681-I683 VanDerWaalsContact C-N 3.35Å; V681-I683 PolarHBondContact O-N 2.81Å; I683-I685 PolarHBondContact O-N 2.87Å; I683-L686 PolarHBondContact O-N 2.84Å; I683-V687 WeakPolarHBondContact O-CG2 3.05Å; I683-V687 PolarHBondContact O-N 3.34Å
684G92.2Very high83.5Confident33 Ų3390.1 Ų90.134%0.3451%0.51SS..Hα-helixtrans-58.6-44.2175.400000112.9A680 V681 I682 V687 I688A680-G684 PolarHBondContact O-N 2.78Å; V681-G684 PolarHBondContact O-N 2.9Å; I682-G684 VanDerWaalsContact C-N 3.34Å; I682-G684 PolarHBondContact O-N 3.03Å; G684-V687 PolarHBondContact O-N 3.4Å; G684-I688 WeakPolarHBondContact O-CG1 3.26Å; G684-I688 PolarHBondContact O-N 3.01Å; G684-I688 VanDerWaalsContact O-N 3.08Å
685I93.1Very high85Confident91 Ų9187.1 Ų87.147%0.46750%0.497SS..Hα-helixtrans-63.5-43.3176.9-67.9167.5000111.1V681 I682 I683 V687 I688 I689V681-I685 HydrophobicContact CG1-CD1 4.02Å; V681-I685 WeakPolarHBondContact O-CG1 3.29Å; V681-I685 PolarHBondContact O-N 3.09Å; I682-I685 PolarHBondContact O-N 2.73Å; I683-I685 PolarHBondContact O-N 2.87Å; I685-V687 VanDerWaalsContact C-N 3.32Å; I685-V687 PolarHBondContact O-N 2.83Å; I685-I688 PolarHBondContact O-N 2.62Å; I685-I689 HydrophobicContact CG2-CD1 4Å; I685-I689 WeakPolarHBondContact O-CG1 3.46Å; I685-I689 PolarHBondContact O-N 3.05Å
686L94.2Very high86Confident109 Ų10984.1 Ų84.157%0.57149%0.488SS*.Hα-helixtrans-62.5-38.7177.8-74.5171.1000112.4I682 I683 I689 A690I682-L686 HydrophobicContact CG2-CD1 4.28Å; I682-L686 WeakPolarHBondContact O-CG 3.39Å; I682-L686 PolarHBondContact O-N 3.42Å; I683-L686 PolarHBondContact O-N 2.84Å; L686-I689 PolarHBondContact O-N 3.48Å; L686-A690 WeakPolarHBondContact O-CB 3.25Å; L686-A690 PolarHBondContact O-N 2.63Å
687V93.3Very high86.6Confident77 Ų7783.1 Ų83.147%0.46748%0.481SS..Hα-helixtrans-65.1-41.7175.5172.50000111I683 G684 I685 I689 A690 I691I683-V687 WeakPolarHBondContact O-CG2 3.05Å; I683-V687 PolarHBondContact O-N 3.34Å; G684-V687 PolarHBondContact O-N 3.4Å; I685-V687 VanDerWaalsContact C-N 3.32Å; I685-V687 PolarHBondContact O-N 2.83Å; V687-I689 PolarHBondContact O-N 2.99Å; V687-A690 PolarHBondContact O-N 2.98Å; V687-I691 HydrophobicContact CG1-CD1 3.83Å; V687-I691 HydrophobicContact CG1-CG1 4.45Å; V687-I691 VanDerWaalsContact O-CG1 3.28Å; V687-I691 WeakPolarHBondContact O-CG1 3.35Å; V687-I691 PolarHBondContact O-N 2.81Å
688I94Very high86.7Confident121 Ų12179.5 Ų79.562%0.62147%0.474SS*.Hα-helixtrans-62.3-43.6176.5-69169.5000111.1G684 I685 I691 G692G684-I688 WeakPolarHBondContact O-CG1 3.26Å; G684-I688 PolarHBondContact O-N 3.01Å; G684-I688 VanDerWaalsContact O-N 3.08Å; I685-I688 PolarHBondContact O-N 2.62Å; I688-I691 PolarHBondContact O-N 3.06Å; I688-G692 PolarHBondContact O-N 2.93Å
689I94.4Very high86.5Confident101 Ų10181.7 Ų81.752%0.51849%0.49SS..Hα-helixtrans-62.7-44.1176.3-66.6169.6000110.4I685 L686 V687 I691 G692 V693I685-I689 HydrophobicContact CG2-CD1 4Å; I685-I689 WeakPolarHBondContact O-CG1 3.46Å; I685-I689 PolarHBondContact O-N 3.05Å; L686-I689 PolarHBondContact O-N 3.48Å; V687-I689 PolarHBondContact O-N 2.99Å; I689-I691 VanDerWaalsContact C-N 3.32Å; I689-I691 PolarHBondContact O-N 2.71Å; I689-G692 PolarHBondContact O-N 2.89Å; I689-V693 HydrophobicContact CG2-CG2 4.38Å; I689-V693 WeakPolarHBondContact O-CG2 3.47Å; I689-V693 PolarHBondContact O-N 3.29Å
690A91Very high86.1Confident59 Ų5984.5 Ų84.549%0.48850%0.499SS..Hα-helixtrans-61.3-40.3177.400000112.1L686 V687 V693 L694L686-A690 WeakPolarHBondContact O-CB 3.25Å; L686-A690 PolarHBondContact O-N 2.63Å; V687-A690 PolarHBondContact O-N 2.98Å; A690-V693 PolarHBondContact O-N 3.18Å; A690-L694 VanDerWaalsContact O-CB 3.27Å; A690-L694 WeakPolarHBondContact O-CB 3.48Å; A690-L694 PolarHBondContact O-N 3.27Å
691I91.7Very high85.2Confident97 Ų9792 Ų9250%0.49752%0.515SS..Hα-helixtrans-66.4-40.8174.6-67.1166.2000110.9V687 I688 I689 L694 T695V687-I691 HydrophobicContact CG1-CD1 3.83Å; V687-I691 HydrophobicContact CG1-CG1 4.45Å; V687-I691 VanDerWaalsContact O-CG1 3.28Å; V687-I691 WeakPolarHBondContact O-CG1 3.35Å; V687-I691 PolarHBondContact O-N 2.81Å; I688-I691 PolarHBondContact O-N 3.06Å; I689-I691 VanDerWaalsContact C-N 3.32Å; I689-I691 PolarHBondContact O-N 2.71Å; I691-L694 PolarHBondContact O-N 3.04Å; I691-T695 HydrophobicContact CG2-CG2 4.41Å; I691-T695 WeakPolarHBondContact O-CB 3.46Å; I691-T695 WeakPolarHBondContact O-CG2 3.41Å; I691-T695 PolarHBondContact O-N 3.36Å; I691-T695 PolarHBondContact O-OG1 3.47Å
692G89.7Confident83.4Confident36 Ų3697.3 Ų97.337%0.37153%0.532SS..Hα-helixtrans-61.4-43.1174.600000112.6I688 I689 T695 A696I688-G692 PolarHBondContact O-N 2.93Å; I689-G692 PolarHBondContact O-N 2.89Å; G692-T695 WeakPolarHBondContact CA-OG1 3.35Å; G692-T695 PolarHBondContact O-OG1 2.79Å; G692-A696 WeakPolarHBondContact O-CB 3.49Å; G692-A696 PolarHBondContact O-N 3.21Å
693V87.9Confident81.3Confident83 Ų83103.5 Ų103.550%0.50355%0.549SS..Hα-helixtrans-68-42.4175.1172.80000110.7I689 A690 T695 A696 C697I689-V693 HydrophobicContact CG2-CG2 4.38Å; I689-V693 WeakPolarHBondContact O-CG2 3.47Å; I689-V693 PolarHBondContact O-N 3.29Å; A690-V693 PolarHBondContact O-N 3.18Å; V693-T695 PolarHBondContact O-N 3.38Å; V693-A696 PolarHBondContact O-N 2.86Å; V693-C697 VanDerWaalsContact O-CB 3.26Å; V693-C697 WeakPolarHBondContact O-CB 3.4Å; V693-C697 PolarHBondContact O-N 3.42Å; V693-C697 PolarHBondContact O-SG 3.47Å
694L85.5Confident79.2Confident111 Ų111101.7 Ų101.758%0.58156%0.556SS**Hα-helixtrans-63.6-42.3178.7-16778.2000111.6A690 I691 C697 L698A690-L694 VanDerWaalsContact O-CB 3.27Å; A690-L694 WeakPolarHBondContact O-CB 3.48Å; A690-L694 PolarHBondContact O-N 3.27Å; I691-L694 PolarHBondContact O-N 3.04Å; L694-C697 WeakPolarHBondContact O-CB 3.34Å; L694-C697 PolarHBondContact O-N 3.28Å; L694-L698 HydrophobicContact CG-CD1 4.45Å; L694-L698 WeakPolarHBondContact O-CB 3.38Å; L694-L698 VanDerWaalsContact O-CG 3.32Å; L694-L698 WeakPolarHBondContact O-CG 3.27Å; L694-L698 PolarHBondContact O-N 3.34Å
695T80.6Confident77.2Confident73 Ų73109.3 Ų109.345%0.44858%0.583SS.*Hα-helixtrans-66.2-43.1175.747.70000111.4I691 G692 V693 C697 L698 V699I691-T695 HydrophobicContact CG2-CG2 4.41Å; I691-T695 WeakPolarHBondContact O-CB 3.46Å; I691-T695 WeakPolarHBondContact O-CG2 3.41Å; I691-T695 PolarHBondContact O-N 3.36Å; I691-T695 PolarHBondContact O-OG1 3.47Å; G692-T695 WeakPolarHBondContact CA-OG1 3.35Å; G692-T695 PolarHBondContact O-OG1 2.79Å; V693-T695 PolarHBondContact O-N 3.38Å; T695-C697 VanDerWaalsContact C-N 3.33Å; T695-C697 PolarHBondContact O-N 3.46Å; T695-L698 PolarHBondContact O-N 2.98Å; T695-V699 WeakPolarHBondContact O-CG2 3.46Å; T695-V699 PolarHBondContact O-N 3.24Å
696A78.8Confident74.6Confident44 Ų44110.8 Ų110.836%0.36460%0.597SS.*Hα-helixtrans-60.5-41.3172.400000112.3G692 V693 V699 M700G692-A696 WeakPolarHBondContact O-CB 3.49Å; G692-A696 PolarHBondContact O-N 3.21Å; V693-A696 PolarHBondContact O-N 2.86Å; A696-V699 PolarHBondContact O-N 3.27Å; A696-M700 WeakPolarHBondContact O-CB 3.32Å; A696-M700 WeakPolarHBondContact O-CG 3.41Å; A696-M700 PolarHBondContact O-N 2.99Å
697C77.7Confident72.4Confident66 Ų66116.5 Ų116.545%0.44661%0.612SS.*Hα-helixtrans-64.4-41.4175.2-76.10000112.1V693 L694 T695 M700 R701V693-C697 VanDerWaalsContact O-CB 3.26Å; V693-C697 WeakPolarHBondContact O-CB 3.4Å; V693-C697 PolarHBondContact O-N 3.42Å; V693-C697 PolarHBondContact O-SG 3.47Å; L694-C697 WeakPolarHBondContact O-CB 3.34Å; L694-C697 PolarHBondContact O-N 3.28Å; T695-C697 VanDerWaalsContact C-N 3.33Å; T695-C697 PolarHBondContact O-N 3.46Å; C697-M700 PolarHBondContact O-N 2.98Å; C697-R701 VanDerWaalsContact O-CB 3.3Å; C697-R701 WeakPolarHBondContact O-CB 3.33Å; C697-R701 PolarHBondContact O-N 3.11Å
698L75.6Confident70.7Confident96 Ų96119 Ų11950%0.50362%0.62SS.*Hα-helixtrans-65.6-41.2176.1-75.6169.5000111.5L694 T695 M700 R701 F702L694-L698 HydrophobicContact CG-CD1 4.45Å; L694-L698 WeakPolarHBondContact O-CB 3.38Å; L694-L698 VanDerWaalsContact O-CG 3.32Å; L694-L698 WeakPolarHBondContact O-CG 3.27Å; L694-L698 PolarHBondContact O-N 3.34Å; T695-L698 PolarHBondContact O-N 2.98Å; L698-M700 VanDerWaalsContact C-N 3.34Å; L698-R701 PolarHBondContact O-N 2.79Å; L698-F702 WeakPolarHBondContact O-CD2 3.5Å
699V71.1Confident69Low112 Ų112118.5 Ų118.568%0.67962%0.619SS**Hα-helixtrans-65.3-38.4175.3174.70000111.1T695 A696T695-V699 WeakPolarHBondContact O-CG2 3.46Å; T695-V699 PolarHBondContact O-N 3.24Å; A696-V699 PolarHBondContact O-N 3.27Å
700M67.8Low67.4Low134 Ų134117.7 Ų117.766%0.6662%0.615SS**Hα-helixtrans-72.7-30.9176-73.7-161.2-101.700113.4A696 C697 L698 F702 R703A696-M700 WeakPolarHBondContact O-CB 3.32Å; A696-M700 WeakPolarHBondContact O-CG 3.41Å; A696-M700 PolarHBondContact O-N 2.99Å; C697-M700 PolarHBondContact O-N 2.98Å; L698-M700 VanDerWaalsContact C-N 3.34Å; M700-F702 VanDerWaalsContact C-N 3.27Å; M700-F702 PolarHBondContact O-N 2.81Å; M700-R703 PolarHBondContact O-N 3.11Å; M700-R703 VanDerWaalsContact O-N 3.15Å
701R61.2Low66.1Low219 Ų219123.7 Ų123.783%0.82663%0.625SS**Hα-helixtrans-72.8-15.4-177.7-159172.7-175.1153.22.1113.9C697 L698 R703C697-R701 VanDerWaalsContact O-CB 3.3Å; C697-R701 WeakPolarHBondContact O-CB 3.33Å; C697-R701 PolarHBondContact O-N 3.11Å; L698-R701 PolarHBondContact O-N 2.79Å; R701-R703 PolarHBondContact O-N 3.03Å
702F51.6Low64.7Low185 Ų185125.1 Ų125.181%0.81163%0.63SS**THydrogen-bonded Turntrans-80.43.9170.1-84.8-75.9000114.3L698 M700 G704L698-F702 WeakPolarHBondContact O-CD2 3.5Å; M700-F702 VanDerWaalsContact C-N 3.27Å; M700-F702 PolarHBondContact O-N 2.81Å; F702-G704 PolarHBondContact O-N 2.01Å
703R44.9Very low63.7Low221 Ų221127.2 Ų127.283%0.83463%0.63SS**SBendtrans-81.299.4166-61.5-170.4100.3143.33.3108.6M700 R701M700-R703 PolarHBondContact O-N 3.11Å; M700-R703 VanDerWaalsContact O-N 3.15Å; R701-R703 PolarHBondContact O-N 3.03Å
704G47.2Very low62.7Low67 Ų67128.6 Ų128.669%0.69163%0.626SS**PPolyproline II helixtrans-55.1149.7-172.400000115.6F702F702-G704 PolarHBondContact O-N 2.01Å
705E49.1Very low61.8Low193 Ų193127.6 Ų127.690%0.90263%0.634SS**PPolyproline II helixtrans-62.4131.9178.5-63.7-179.414500111.4
706T40.1Very low61.2Low123 Ų123130.6 Ų130.676%0.75565%0.646SS**PPolyproline II helixtrans-101.3124172.8340000109M708T706-M708 PolarHBondContact O-N 3.49Å
707Y47.5Very low60.5Low229 Ų229131.5 Ų131.590%0.89866%0.66SS**PPolyproline II helixtrans-61.1116.5-179.7-83.3-104.2000110.5L709Y707-L709 PolarHBondContact O-N 3.03Å
708M58.1Low59.8Low128 Ų128131.9 Ų131.963%0.63166%0.658SS**  trans-82.259.9178.8-64.1-168.6-17900111.8T706 D710 R711T706-M708 PolarHBondContact O-N 3.49Å; M708-D710 PolarHBondContact O-N 2.99Å; M708-R711 HydrophobicContact CB-CB 4.26Å; M708-R711 WeakPolarHBondContact O-CB 3.46Å; M708-R711 PolarHBondContact O-N 2.99Å
709L58.1Low59.4Low112 Ų112130.2 Ų130.259%0.58665%0.649SS**Hα-helixtrans-55.9-34.5176.9-157.780.2000111.9Y707 R711 E712 E713Y707-L709 PolarHBondContact O-N 3.03Å; L709-R711 PolarHBondContact O-N 3.24Å; L709-R711 VanDerWaalsContact O-N 3.16Å; L709-E712 PolarHBondContact O-N 3.39Å; L709-E712 VanDerWaalsContact O-N 3.13Å; L709-E713 PolarHBondContact O-N 3.43Å; L709-E713 VanDerWaalsContact O-N 3.08Å
710D61.1Low59Low84 Ų84127.5 Ų127.545%0.44963%0.634SS.*Hα-helixtrans-63-20.4179.8-160.845.6000113.5M708 R714M708-D710 PolarHBondContact O-N 2.99Å; D710-R714 PolarHBondContact O-NH1 2.87Å; D710-R714 VanDerWaalsContact O-NH1 3.1Å; D710-R714 IonicContact OD1-CZ 3.3Å; D710-R714 IonicContact OD1-NH1 2.68Å; D710-R714 IonicContact OD1-NH2 3.05Å; D710-R714 IonicContact OD2-CZ 3.73Å; D710-R714 VanDerWaalsContact OD2-CZ 3.3Å; D710-R714 IonicContact OD2-NH1 3.78Å; D710-R714 PolarHBondContact OD2-NH1 3.37Å; D710-R714 IonicContact OD2-NH2 3.93Å; D710-R714 PolarHBondContact OD2-NH2 3.34Å
711R63.3Low58.9Low185 Ų185127.8 Ų127.870%0.69863%0.634SS**Hα-helixtrans-85.9-33.4176.7-162.1175.4-170.5160.12.5112.1M708 L709 A715M708-R711 HydrophobicContact CB-CB 4.26Å; M708-R711 WeakPolarHBondContact O-CB 3.46Å; M708-R711 PolarHBondContact O-N 2.99Å; L709-R711 PolarHBondContact O-N 3.24Å; L709-R711 VanDerWaalsContact O-N 3.16Å; R711-A715 PolarHBondContact O-N 2.87Å
712E62.5Low59.1Low126 Ų126123.4 Ų123.459%0.58962%0.621SS**Hα-helixtrans-76.4-41.1179-78.1163.916000111.7L709 A715 L716L709-E712 PolarHBondContact O-N 3.39Å; L709-E712 VanDerWaalsContact O-N 3.13Å; E712-A715 WeakPolarHBondContact O-CB 3.43Å; E712-A715 PolarHBondContact O-N 3.42Å; E712-L716 PolarHBondContact O-N 2.9Å; E712-L716 VanDerWaalsContact O-N 3.16Å
713E68.4Low59.6Low80 Ų80119.8 Ų119.837%0.37461%0.606SS.*Hα-helixtrans-65-39.8175-75.6-72.715700112.2L709 A715 L716 G717 N718L709-E713 PolarHBondContact O-N 3.43Å; L709-E713 VanDerWaalsContact O-N 3.08Å; E713-A715 VanDerWaalsContact C-N 3.29Å; E713-A715 PolarHBondContact O-N 3.44Å; E713-L716 PolarHBondContact O-N 2.83Å; E713-L716 VanDerWaalsContact O-N 3.13Å; E713-G717 PolarHBondContact O-N 2.87Å; E713-N718 CarbonylContact C-O 3.49Å; E713-N718 PolarHBondContact O-N 2.99Å; E713-N718 VanDerWaalsContact O-N 3.12Å; E713-N718 WeakPolarHBondContact OE2-CB 3.3Å; E713-N718 PolarHBondContact OE2-ND2 2.8Å
714R66.3Low60.3Low113 Ų113115.7 Ų115.743%0.42660%0.6SS.*Hα-helixtrans-64.3-31.3172.7-84.1-165.4-160.387.31.5113.3D710 L716 G717 D719D710-R714 PolarHBondContact O-NH1 2.87Å; D710-R714 VanDerWaalsContact O-NH1 3.1Å; D710-R714 IonicContact OD1-CZ 3.3Å; D710-R714 IonicContact OD1-NH1 2.68Å; D710-R714 IonicContact OD1-NH2 3.05Å; D710-R714 IonicContact OD2-CZ 3.73Å; D710-R714 VanDerWaalsContact OD2-CZ 3.3Å; D710-R714 IonicContact OD2-NH1 3.78Å; D710-R714 PolarHBondContact OD2-NH1 3.37Å; D710-R714 IonicContact OD2-NH2 3.93Å; D710-R714 PolarHBondContact OD2-NH2 3.34Å; R714-L716 VanDerWaalsContact C-N 3.3Å; R714-G717 PolarHBondContact O-N 3.32Å; R714-D719 IonicContact NE-OD1 3.13Å
715A66.5Low61.1Low89 Ų89123.2 Ų123.274%0.73661%0.608SS**Hα-helixtrans-71.6-27.3175.600000112.4R711 E712 E713 G717R711-A715 PolarHBondContact O-N 2.87Å; E712-A715 WeakPolarHBondContact O-CB 3.43Å; E712-A715 PolarHBondContact O-N 3.42Å; E713-A715 VanDerWaalsContact C-N 3.29Å; E713-A715 PolarHBondContact O-N 3.44Å; A715-G717 VanDerWaalsContact C-N 3.26Å
716L67.8Low61.6Low136 Ų136121 Ų12171%0.71260%0.598SS**THydrogen-bonded Turntrans-81.8-0.1172.9-78.2158.4000113.5E712 E713 R714E712-L716 PolarHBondContact O-N 2.9Å; E712-L716 VanDerWaalsContact O-N 3.16Å; E713-L716 PolarHBondContact O-N 2.83Å; E713-L716 VanDerWaalsContact O-N 3.13Å; R714-L716 VanDerWaalsContact C-N 3.3Å
717G64.7Low62.1Low64 Ų64123.4 Ų123.466%0.6660%0.597SS**THydrogen-bonded Turntrans84.56.8177.400000114.6E713 R714 A715 D719E713-G717 PolarHBondContact O-N 2.87Å; R714-G717 PolarHBondContact O-N 3.32Å; A715-G717 VanDerWaalsContact C-N 3.26Å; G717-D719 PolarHBondContact O-N 3.48Å
718N62.9Low62Low74 Ų74121.7 Ų121.740%0.39660%0.598SS.*  trans-86.4108.6171.4-72.7-2.1000108.6E713 P720E713-N718 CarbonylContact C-O 3.49Å; E713-N718 PolarHBondContact O-N 2.99Å; E713-N718 VanDerWaalsContact O-N 3.12Å; E713-N718 WeakPolarHBondContact OE2-CB 3.3Å; E713-N718 PolarHBondContact OE2-ND2 2.8Å; N718-P720 WeakPolarHBondContact O-CD 3.32Å
719D67.5Low61.2Low61 Ų61119.7 Ų119.733%0.32660%0.602SS.*  trans-107.7100175.5-163.23.8000109R714 G717 E721 K722 E723R714-D719 IonicContact NE-OD1 3.13Å; G717-D719 PolarHBondContact O-N 3.48Å; D719-E721 PolarHBondContact O-N 3.17Å; D719-E721 VanDerWaalsContact O-N 3.15Å; D719-K722 HydrophobicContact CB-CB 3.98Å; D719-K722 WeakPolarHBondContact O-CB 3.42Å; D719-K722 PolarHBondContact O-N 3.48Å; D719-E723 PolarHBondContact O-N 2.9Å; D719-E723 VanDerWaalsContact O-N 3.15Å
720P63.3Low60.3Low54 Ų54124.7 Ų124.735%0.35162%0.619SS.*Hα-helixtrans-58.5-31.7-173.620-30.4000112.2N718 K722 L724N718-P720 WeakPolarHBondContact O-CD 3.32Å; P720-K722 VanDerWaalsContact C-N 3.32Å; P720-K722 PolarHBondContact O-N 3.17Å; P720-L724 WeakPolarHBondContact O-CB 3.49Å; P720-L724 WeakPolarHBondContact O-CD1 3.28Å; P720-L724 PolarHBondContact O-N 3.48Å
721E65Low59.5Low141 Ų141128 Ų12866%0.65963%0.631SS**Hα-helixtrans-66.4-32.4175.6-73.2-169.7163.700113D719 R725D719-E721 PolarHBondContact O-N 3.17Å; D719-E721 VanDerWaalsContact O-N 3.15Å; E721-R725 PolarHBondContact O-N 3.1Å
722K64.7Low58.3Low126 Ų126125.3 Ų125.355%0.54864%0.636SS.*Hα-helixtrans-76.1-41.6178.7-166.6-178.2177.5-170.40111.3D719 P720 L724 R725 E726D719-K722 HydrophobicContact CB-CB 3.98Å; D719-K722 WeakPolarHBondContact O-CB 3.42Å; D719-K722 PolarHBondContact O-N 3.48Å; P720-K722 VanDerWaalsContact C-N 3.32Å; P720-K722 PolarHBondContact O-N 3.17Å; K722-L724 VanDerWaalsContact C-N 3.31Å; K722-L724 PolarHBondContact O-N 3.03Å; K722-R725 PolarHBondContact O-N 3.28Å; K722-E726 PolarHBondContact O-N 2.69Å
723E63.3Low57.3Low109 Ų109129.3 Ų129.351%0.50965%0.647SS.*Hα-helixtrans-65.2-35.6176-66.5-165.3178.100112.6D719 E726 K727D719-E723 PolarHBondContact O-N 2.9Å; D719-E723 VanDerWaalsContact O-N 3.15Å; E723-E726 PolarHBondContact O-N 3.41Å; E723-K727 PolarHBondContact O-N 2.72Å
724L59.3Low55.9Low136 Ų136134.5 Ų134.571%0.71267%0.671SS**Hα-helixtrans-67-33.7174.5-94.5147000112.6P720 K722P720-L724 WeakPolarHBondContact O-CB 3.49Å; P720-L724 WeakPolarHBondContact O-CD1 3.28Å; P720-L724 PolarHBondContact O-N 3.48Å; K722-L724 VanDerWaalsContact C-N 3.31Å; K722-L724 PolarHBondContact O-N 3.03Å
725R62.9Low54.2Low225 Ų225140.7 Ų140.785%0.84970%0.695SS**Hα-helixtrans-72.4-30175.6-90.3-169-175.3-141.83113.7E721 K722E721-R725 PolarHBondContact O-N 3.1Å; K722-R725 PolarHBondContact O-N 3.28Å
726E60.9Low52.9Low147 Ų147140.7 Ų140.769%0.68770%0.695SS**Hα-helixtrans-85.7-11.6-176.4-71-179.5-173.100113.4K722 E723K722-E726 PolarHBondContact O-N 2.69Å; E723-E726 PolarHBondContact O-N 3.41Å
727K50.8Low52Low172 Ų172143.5 Ų143.575%0.74871%0.705SS**  trans-102.487.3173.5-78178.4179.1165.30112.1E723 A729E723-K727 PolarHBondContact O-N 2.72Å; K727-A729 PolarHBondContact O-N 3.12Å
728E45.1Very low50.8Low194 Ų194149.4 Ų149.491%0.90772%0.715SS**  trans-68.390.8159.3-69.7-176.7169.600110.1
729A40.5Very low49.7Very low86 Ų86151.4 Ų151.471%0.71173%0.732SS**  trans163.6103.1142.100000111.5K727K727-A729 PolarHBondContact O-N 3.12Å
730F39.2Very low48.9Very low217 Ų217154 Ų15495%0.95275%0.752SS**  trans-151.3132.9131.6-123-87.8000109.4
731Q44.1Very low47.9Very low152 Ų152160.4 Ų160.471%0.7178%0.782SS**  trans-73139.2-160.5-71.3172-23.500114.3Y733Q731-Y733 HydrophobicContact CB-CE2 4.5Å
732T38.3Very low46.7Very low129 Ų129165.6 Ų165.679%0.79180%0.796SS**  trans-71.5122.3167.741.90000110.8
733Y41.6Very low45.2Very low210 Ų210162.7 Ų162.782%0.82480%0.802SS**  trans-107.194.7162.2-79.6-85.9000108.2Q731Q731-Y733 HydrophobicContact CB-CE2 4.5Å
734E38.4Very low43.8Very low190 Ų190162.8 Ų162.889%0.88881%0.814SS**  trans-85.3129.5167.7-100.1175.9157.500109.5
735R32.2Very low42.9Very low242 Ų242166.8 Ų166.891%0.91382%0.82SS**  trans-133.7129.5150.8-178.7171.6-75.3144.3-1.3108.8
736A39.2Very low41.6Very low90 Ų90163 Ų16374%0.74483%0.827SS**  trans-54.7140.1-179.300000113.8
737E47.4Very low40.5Very low195 Ų195160.4 Ų160.491%0.91183%0.825SS**  trans-134141.4152.1-74.2-165.6167.500110.8
738E40.5Very low39.9Very low187 Ų187159.4 Ų159.487%0.87483%0.827SS**  trans-76.5155.7-160.1-64.2175.3144.500114.5
739P39.8Very low39.5Very low117 Ų117157.8 Ų157.876%0.7682%0.824SS**  trans-93.4-175.2168.539.7-35.1000111.5
740P49.9Very low39.2Very low115 Ų115160.3 Ų160.375%0.74783%0.826SS**  -127.7152.2-65.136.1-20.7000111.9R742P740-R742 PolarHBondContact O-N 3.09Å
741L42.8Very low39.1Very low188 Ų188156.5 Ų156.598%0.98482%0.816SS**  trans-84.6115.5168.8-73.9165.8000110.7
742R38.8Very low39.1Very low250 Ų250154.4 Ų154.494%0.94382%0.818SS**  trans-85.9120-179.7-154177.3-173.2177.51.5108.5P740P740-R742 PolarHBondContact O-N 3.09Å
743G33.6Very low39.1Very low66 Ų66152.1 Ų152.168%0.6881%0.812SS**  87.9101.488.800000111.2
744S34Very low38.7Very low110 Ų110151.7 Ų151.777%0.76982%0.817SS**  93.3145.585-173.40000113.6
745R40.8Very low38.9Very low220 Ų220150.5 Ų150.583%0.8382%0.815SS**  trans101.192.1153.3-48-178.2106.1101.70.4118
746C36.3Very low39.1Very low146 Ų146142.1 Ų142.199%0.98680%0.804SS**  trans-120.9135.1134.3-80.70000107.8
747S36.9Very low39Very low93 Ų93143.4 Ų143.465%0.6581%0.808SS**  trans-136.6145.3-153.9171.30000108.6
748L37.7Very low38.7Very low150 Ų150141.8 Ų141.879%0.78581%0.805SS**  trans66.1106.5164.8-94.897000118.2
749N37.7Very low39Very low160 Ų160136.3 Ų136.386%0.85680%0.799SS**  13.6106.5122.6-68.37000115.6
750D35Very low39.1Very low140 Ų140138.7 Ų138.775%0.74981%0.805SS**  trans-135.1144.6153.2-145.43.5000107.1
751D36.7Very low38.8Very low137 Ų137136.8 Ų136.873%0.73381%0.807SS**  trans70.9124.6172.5-50.3-34.3000115.7
752S44.1Very low38.7Very low108 Ų108136.5 Ų136.576%0.75580%0.801SS**  cis-178.6149.921.436.30000109.2
753A36.8Very low38.7Very low80 Ų80131.1 Ų131.166%0.66179%0.79SS**  trans67.3104.1140.400000119.8I755A753-I755 HydrophobicContact CB-CG1 4.34Å; A753-I755 PolarHBondContact O-N 2.84Å
754E34.2Very low39.3Very low201 Ų201135.2 Ų135.294%0.93980%0.796SS**  trans-47.5115138.9-75.5172.9136.900110.7
755I42.8Very low39.5Very low165 Ų165135.7 Ų135.785%0.84679%0.79SS**  trans-148.1128.9156.9-57.3-178.9000108.6A753A753-I755 HydrophobicContact CB-CG1 4.34Å; A753-I755 PolarHBondContact O-N 2.84Å
756G36.6Very low39.6Very low67 Ų67134.2 Ų134.269%0.69179%0.786SS**  trans122.869.5149.900000115.9
757S35.5Very low39.9Very low116 Ų116134.8 Ų134.881%0.81178%0.779SS**  trans-104.781.8154.6169.10000107.4
758D41.5Very low40.4Very low161 Ų161137.7 Ų137.786%0.86179%0.786SS**  trans-12282.4169.2-70.7-28.1000107.9
759G47.3Very low40.7Very low72 Ų72137 Ų13774%0.74278%0.784SS**  trans-101.644.7176.600000111.9
760D41.3Very low41Very low167 Ų167135.9 Ų135.989%0.89379%0.785SS**  trans-116.588.2174-64.7-14.4000108.4
761G44Very low41.3Very low76 Ų76131.9 Ų131.978%0.78478%0.777SS**  trans-140.771.9179.500000110.5
762E40.6Very low41.6Very low181 Ų181134.7 Ų134.785%0.84678%0.783SS**  trans-60148.8164.4-157.5178.2-171.600110
763L39.4Very low41.2Very low138 Ų138137.6 Ų137.672%0.72378%0.782SS**  trans75.4100168.3-95.5126000118.6
764D45.3Very low41.5Very low151 Ų151140.9 Ų140.981%0.80779%0.789SS**  trans-14187.6136.9-99-25.4000109.4
765D38.3Very low41.7Very low121 Ų121139.4 Ų139.465%0.64778%0.782SS**  trans-71.1106.3165.3170.328.8000109.7
766Y42.9Very low41.9Very low189 Ų189140 Ų14074%0.74178%0.781SS**  trans-150.679.5157.6-67.3-68.8000111.4L768Y766-L768 PolarHBondContact O-N 2.81Å; Y766-L768 VanDerWaalsContact O-N 3.09Å
767N43.2Very low41.8Very low157 Ų157140.6 Ų140.684%0.8479%0.787SS**  trans-71.889.7164.1-172.912.5000109.8D769N767-D769 PolarHBondContact O-N 3.21Å; N767-D769 VanDerWaalsContact O-N 3.17Å
768L47.4Very low42.4Very low154 Ų154140.8 Ų140.881%0.80679%0.788SS**  trans-75.793.9174.6-83.7121.1000112Y766Y766-L768 PolarHBondContact O-N 2.81Å; Y766-L768 VanDerWaalsContact O-N 3.09Å
769D43Very low42.3Very low137 Ų137141.8 Ų141.873%0.73379%0.786SS**  trans46.2114.1136.3-143.83.7000121.1N767 G771N767-D769 PolarHBondContact O-N 3.21Å; N767-D769 VanDerWaalsContact O-N 3.17Å; D769-G771 PolarHBondContact O-N 3.29Å; D769-G771 VanDerWaalsContact O-N 3.17Å
770P44.2Very low41.8Very low135 Ų135143.4 Ų143.488%0.87778%0.776SS**SBendtrans-81.586.6175.133.5-33.2000112.2
771G42.9Very low41.6Very low57 Ų57139.6 Ų139.659%0.58878%0.776SS**  trans-146.10.2174.800000116.1D769 F773D769-G771 PolarHBondContact O-N 3.29Å; D769-G771 VanDerWaalsContact O-N 3.17Å; G771-F773 PolarHBondContact O-N 2.84Å
772K42.4Very low41Very low196 Ų196143.5 Ų143.585%0.85277%0.774SS**  trans-89.989-180-97.1-179.9176.5175.40112.6
773F36.4Very low40.8Very low168 Ų168145.5 Ų145.574%0.73778%0.775SS**  trans38.697.4131.7-74.6-94.5000117.3G771 E775G771-F773 PolarHBondContact O-N 2.84Å; F773-E775 HydrophobicContact CD1-CG 4.41Å
774N42.2Very low40.7Very low149 Ų149143.5 Ų143.580%0.79778%0.779SS**  trans-10196.8147.1-804.1000108.1E776N774-E776 VanDerWaalsContact C-N 3.33Å; N774-E776 PolarHBondContact O-N 2.75Å
775E39.3Very low40Very low171 Ų171142 Ų14280%0.79978%0.775SS**  trans-65.888.7163.5-68.2-174.2154.400109.3F773 G777F773-E775 HydrophobicContact CD1-CG 4.41Å; E775-G777 PolarHBondContact O-N 2.74Å
776E45.5Very low39.7Very low177 Ų177144.6 Ų144.683%0.82778%0.784SS**  trans-87.977.3158.9-67.1-168.4-164.200108.6N774 S778N774-E776 VanDerWaalsContact C-N 3.33Å; N774-E776 PolarHBondContact O-N 2.75Å; E776-S778 PolarHBondContact O-N 3.46Å
777G35.6Very low39.1Very low80 Ų80146.7 Ų146.783%0.82579%0.79SS**  trans-69.8100.2153.100000108.7E775E775-G777 PolarHBondContact O-N 2.74Å
778S48.6Very low38.8Very low119 Ų119148.4 Ų148.483%0.83279%0.793SS**  trans-138.8117.3153-165.90000111.3E776E776-S778 PolarHBondContact O-N 3.46Å
779F37.5Very low38Very low183 Ų183150.7 Ų150.780%0.80380%0.796SS**  trans-79127-172.6-171.7-114.3000109.9
780I37.7Very low37.5Very low106 Ų106147.4 Ų147.454%0.54480%0.795SS.*  trans72.1101.9155.8-55.4178.4000117.1
781G37.5Very low37Very low87 Ų87146.7 Ų146.790%0.89779%0.79SS**  trans-123.241.414400000110.3Y783G781-Y783 PolarHBondContact O-N 2.68Å
782E30.7Very low36.5Very low157 Ų157149.5 Ų149.573%0.73480%0.8SS**  trans-93.982175.2-170.1172.1-168.300109.7
783Y37.7Very low36.1Very low223 Ų223147.4 Ų147.488%0.87580%0.799SS**  trans-148.481.1157.3-74-70.4000109.4G781G781-Y783 PolarHBondContact O-N 2.68Å
784A35.6Very low36Very low96 Ų96150.6 Ų150.679%0.79381%0.806SS**  trans171.587.4140.200000108.5
785T31Very low35.6Very low119 Ų119151.1 Ų151.173%0.7381%0.808SS**  trans-54.7130.2157.245.30000110.4
786E32Very low35.4Very low177 Ų177148.9 Ų148.983%0.82781%0.808SS**  168.1101.8112.9-87.5-172.9172.900112.8
787R30.7Very low34.8Very low232 Ų232146.9 Ų146.988%0.87581%0.808SS**  trans-9.7114.5144.6-61.3174.3179.7-169.60.1116.2
788H36.6Very low34.7Very low193 Ų193151.2 Ų151.289%0.89481%0.812SS**  trans-115.9102.1138.7-95.9-75.1000110.1
789K31.7Very low34Very low203 Ų203152.5 Ų152.588%0.88381%0.809SS**  trans-69.7127.2162.4-95.4178.9170.5179.50108.7
790G31.8Very low33.7Very low68 Ų68155 Ų15570%0.70181%0.813SS**  trans-150123.3164.200000109
791P34Very low33.7Very low119 Ų119156.8 Ų156.877%0.77382%0.824SS**  trans-89.9153.7-159.734.9-34.1000114.4N793P791-N793 PolarHBondContact O-N 3.41Å; P791-N793 VanDerWaalsContact O-N 3.15Å
792S31.9Very low33.4Very low116 Ų116163.5 Ų163.581%0.81182%0.824SS**  trans-47.5106.7166149.90000112.2
793N35.2Very low33.7Very low153 Ų153162.2 Ų162.282%0.81882%0.821SS**PPolyproline II helixtrans-96.6119.5162.2-92.5-17.1000109.6P791P791-N793 PolarHBondContact O-N 3.41Å; P791-N793 VanDerWaalsContact O-N 3.15Å
794R32.9Very low33.5Very low235 Ų235157.1 Ų157.189%0.88782%0.816SS**PPolyproline II helixtrans-53136.4174.3-74.5176.3-173.6177.81.5111
795L33.3Very low33.3Very low160 Ų160157.9 Ų157.984%0.83881%0.811SS**PPolyproline II helixtrans-60.3142.5165.6-96.488.1000110.6T797L795-T797 PolarHBondContact O-N 3.28Å
796P36.5Very low33.6Very low124 Ų124162.8 Ų162.881%0.80584%0.84SS**PPolyproline II helixtrans-72.4127.3179.92.111.9000110.9L798P796-L798 PolarHBondContact O-N 3.33Å
797T33.4Very low33.7Very low135 Ų135162.1 Ų162.183%0.82884%0.841SS**PPolyproline II helixtrans-67.2121.2166.145.40000109.5L795 D799L795-T797 PolarHBondContact O-N 3.28Å; T797-D799 PolarHBondContact O-N 3.2Å
798L32.6Very low33.9Very low171 Ų171158.4 Ų158.490%0.89584%0.839SS**PPolyproline II helixtrans-59.1122.8178.5-155.977.3000110.3P796 R800P796-L798 PolarHBondContact O-N 3.33Å; L798-R800 PolarHBondContact O-N 3.15Å
799D34.4Very low33.7Very low145 Ų145156.4 Ų156.478%0.77584%0.836SS**PPolyproline II helixtrans-68.4128-174.6-151.7-12.6000111T797 N801T797-D799 PolarHBondContact O-N 3.2Å; D799-N801 PolarHBondContact O-N 3.21Å
800R31.4Very low33.8Very low237 Ų237153.7 Ų153.789%0.89483%0.833SS**  trans-10364.4-168.1-158.2-177.2-168.9-172.93.2108.6L798L798-R800 PolarHBondContact O-N 3.15Å
801N36.1Very low34Very low143 Ų143159.1 Ų159.177%0.76584%0.841SS**  trans-152.584.2175.8-91.1-29.4000110.7D799D799-N801 PolarHBondContact O-N 3.21Å
802Y32.7Very low34Very low228 Ų228161.7 Ų161.789%0.89485%0.846SS**  trans-120.8105.9155.2-160.5-99000108.2
803N37.4Very low34.1Very low129 Ų129165 Ų16569%0.6985%0.848SS**  trans-88120.3-172.2-1566.3000108.7T805N803-T805 PolarHBondContact O-N 2.78Å
804P33.3Very low34Very low116 Ų116165.9 Ų165.975%0.75385%0.851SS**  trans-82.983.2-176.932.6-32.3000110.4
805T31.7Very low34.1Very low113 Ų113160.2 Ų160.269%0.69385%0.848SS**  trans-148.886.2164.249.30000109.7N803N803-T805 PolarHBondContact O-N 2.78Å
806V36.7Very low34.2Very low221 Ų221160.2 Ų160.2100%1.33985%0.848SS**  trans-1600130.8174.20000107.2

Retrieved 806 of 806 residues in 1376.3 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).