A0A096N047_PAPAN Loading...

Serine/threonine-protein kinase

Proto-oncogene with serine/threonine kinase activity involved in cell survival and cell proliferation.

AlphaFold DB (A0A2K5MZQ8), UniProt , Accession A0A096N047, Species PAPAN (Papio anubis, Olive baboon), Gene PIM2, Length 311 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low45.8Very low246 Ų246148.7 Ų148.7100%1.21285%0.851SS**  0102.70-71-177.9-177.500108
2L41.7Very low44.8Very low177 Ų177145.3 Ų145.393%0.92784%0.838SS**  trans-144.5101.4171.8-96.8158.7000105.7K4L2-K4 PolarHBondContact O-N 3.42Å
3T43.9Very low45.1Very low141 Ų141143.9 Ų143.987%0.86584%0.837SS**PPolyproline II helixtrans-69.1117.4-176.943.10000109.7
4K44.2Very low44.9Very low192 Ų192141.4 Ų141.484%0.83583%0.825SS**PPolyproline II helixtrans-62140.8165.5-78.8-178.7174.7-179.60108.8L2 L6L2-K4 PolarHBondContact O-N 3.42Å; K4-L6 PolarHBondContact O-N 3.2Å
5P43.3Very low44.7Very low120 Ų120140.1 Ų140.178%0.77982%0.819SS**PPolyproline II helixtrans-61.5135.2173.6-7.419.6000109.3Q7P5-Q7 PolarHBondContact O-N 3.13Å; P5-Q7 VanDerWaalsContact O-N 3.13Å
6L49.9Very low45.3Very low173 Ų173135.7 Ų135.791%0.90680%0.796SS**  trans-54.6115.2168.9-79.1147.4000108.5K4 G8K4-L6 PolarHBondContact O-N 3.2Å; L6-G8 PolarHBondContact O-N 3.42Å
7Q49.5Very low46.3Very low192 Ų192133.6 Ų133.690%0.89779%0.786SS**PPolyproline II helixtrans-58.6119.8162.6-80.2173.3-19.300106.9P5P5-Q7 PolarHBondContact O-N 3.13Å; P5-Q7 VanDerWaalsContact O-N 3.13Å
8G52.3Low47.6Very low56 Ų56129.9 Ų129.958%0.57777%0.766SS**PPolyproline II helixtrans-57.2156.5167.300000110L6L6-G8 PolarHBondContact O-N 3.42Å
9P47.2Very low48.5Very low125 Ų125123.2 Ų123.281%0.81273%0.727SS**PPolyproline II helixtrans-60.9137.6-18027.3-32000108.9A11P9-A11 PolarHBondContact O-N 3.36Å
10P45.7Very low49.1Very low125 Ų125121.3 Ų121.381%0.81272%0.718SS**PPolyproline II helixtrans-60131.917024.2-30.4000109.2
11A42.8Very low49.4Very low89 Ų89117 Ų11774%0.73670%0.699SS**PPolyproline II helixtrans-67146.8169.300000109.8P9P9-A11 PolarHBondContact O-N 3.36Å
12P34.3Very low50.6Low108 Ų108106.6 Ų106.670%0.70166%0.655SS**PPolyproline II helixtrans-78131.8-163.132-33.5000111.4V14P12-V14 HydrophobicContact CB-CG2 4.22Å; P12-V14 PolarHBondContact O-N 3.43Å
13P48.6Very low52.8Low127 Ų127101.3 Ų101.383%0.82562%0.624SS**  trans-90.392.8167.631.7-26.7000110
14V42Very low55Low109 Ų10998.8 Ų98.866%0.66161%0.605SS**  trans-155.4136.4177.1-144.60000106.8P12P12-V14 HydrophobicContact CB-CG2 4.22Å; P12-V14 PolarHBondContact O-N 3.43Å
15T42.1Very low57.3Low122 Ų12295.8 Ų95.875%0.74859%0.589SS**  cis-150.2112.744.8490000113.8
16P54.9Low59.6Low69 Ų6997.4 Ų97.445%0.44859%0.586SS.*  trans-90.2113.4157.330.8-23.6000110
17T60.9Low61.8Low101 Ų10190.3 Ų90.362%0.6255%0.553SS**  trans-175.8108.4151.830.10000107.8W88T17-W88 HydrophobicContact CG2-CH2 3.62Å; T17-W88 HydrophobicContact CG2-CZ3 4.37Å
18P70.1Confident63.9Low67 Ų6781.7 Ų81.744%0.43551%0.512SS..  -153.4103.2125.734.3-14.1000114L103P18-L103 WeakPolarHBondContact CD-O 3.36Å
19P64.8Low66Low2 Ų284 Ų841%0.01351%0.508CS..  trans-140.298.6136.18.514.2000109.5L74 W88 L102P19-L74 HydrophobicContact CB-CD2 4.14Å; P19-W88 HydrophobicContact CB-CD2 4.21Å; P19-W88 HydrophobicContact CB-CE3 4.37Å; P19-W88 HydrophobicContact CB-CG 4.36Å; P19-W88 VanDerWaalsContact CD-CD2 3.41Å; P19-W88 HydrophobicContact CG-CB 4.15Å; P19-W88 HydrophobicContact CG-CD2 3.46Å; P19-W88 VanDerWaalsContact CG-CD2 3.46Å; P19-W88 HydrophobicContact CG-CE3 3.2Å; P19-W88 HydrophobicContact CG-CG 3.93Å; P19-W88 HydrophobicContact CG-CH2 4.3Å; P19-W88 HydrophobicContact CG-CZ3 3.7Å; P19-W88 VanDerWaalsContact O-CE2 3.24Å; P19-W88 PolarHBondContact O-NE1 3.44Å; P19-L102 HydrophobicContact CB-CD2 4.33Å; P19-L102 HydrophobicContact CG-CD2 3.95Å
20P60.3Low68.3Low85 Ų8581.6 Ų81.655%0.55250%0.499SS*.SBend-130.5154.311313.75.4000111.8L74 V78P20-L74 HydrophobicContact CB-CD2 4.34Å; P20-V78 HydrophobicContact CB-CG2 4.49Å
21G56.7Low70.7Confident30 Ų3078.7 Ų78.731%0.30947%0.474SS..SBendtrans86.1140.4-166.400000111.4W105G21-W105 VanDerWaalsContact O-CZ2 3.31Å; G21-W105 WeakPolarHBondContact O-CZ2 3.47Å; G21-W105 PolarHBondContact O-NE1 2.95Å
22G66.6Low73.4Confident28 Ų2874.9 Ų74.929%0.28944%0.441SS..  trans-108.5112.9170.200000107.5W105G22-W105 VanDerWaalsContact N-CZ2 3.29Å
23K88.1Confident76.4Confident66 Ų6676.6 Ų76.629%0.28743%0.433SS..BIsolated β-bridgetrans-70.3154-179.5-76.6179.3-72.6-177.50110A27 E31 D104 W105 F106 E107K23-A27 HydrophobicContact CB-CB 3.8Å; K23-A27 HydrophobicContact CD-CB 4.31Å; K23-A27 HydrophobicContact CG-CB 4.36Å; K23-E31 IonicContact NZ-OE1 2.55Å; K23-E31 PolarHBondContact NZ-OE1 3.13Å; K23-E31 IonicContact NZ-OE2 3.45Å; K23-E31 PolarHBondContact NZ-OE2 3.17Å; K23-D104 WeakPolarHBondContact CE-OD1 3.45Å; K23-D104 VanDerWaalsContact CE-OD2 3.3Å; K23-D104 WeakPolarHBondContact CE-OD2 3.41Å; K23-D104 IonicContact NZ-OD1 3.43Å; K23-D104 PolarHBondContact NZ-OD1 2.96Å; K23-D104 IonicContact NZ-OD2 3.61Å; K23-D104 PolarHBondContact NZ-OD2 3.42Å; K23-W105 PolarHBondContact N-O 2.94Å; K23-F106 HydrophobicContact CB-CD1 3.3Å; K23-F106 HydrophobicContact CB-CE1 3.42Å; K23-F106 VanDerWaalsContact CB-CE1 3.42Å; K23-F106 HydrophobicContact CB-CG 4.31Å; K23-F106 HydrophobicContact CB-CZ 4.49Å; K23-F106 HydrophobicContact CD-CE1 4.03Å; K23-F106 HydrophobicContact CG-CE1 4.32Å; K23-F106 CarbonylContact O-C 3.56Å; K23-F106 WeakPolarHBondContact O-CA 3.46Å; K23-F106 VanDerWaalsContact O-CB 3.28Å; K23-F106 WeakPolarHBondContact O-CB 3.44Å; K23-E107 PolarHBondContact O-N 2.81Å
24D91.6Very high78.7Confident88 Ų8874.2 Ų74.247%0.47141%0.413SS..  trans-77.3179.1179.466.724.7000112.3E26 A27 F28 F106D24-E26 VanDerWaalsContact C-N 3.34Å; D24-E26 PolarHBondContact O-N 3.42Å; D24-E26 PolarHBondContact OD1-N 3.09Å; D24-A27 PolarHBondContact O-N 3.16Å; D24-A27 WeakPolarHBondContact OD1-CB 3.14Å; D24-A27 PolarHBondContact OD1-N 3.09Å; D24-F28 PolarHBondContact O-N 2.88Å; D24-F106 WeakPolarHBondContact O-CD1 3.33Å
25R91.4Very high81.3Confident129 Ų12970.5 Ų70.549%0.48740%0.397SS..Hα-helixtrans-64.2-36179.3-178172.9174.9163.1-0.1113.2A27 F28 E29 T108R25-A27 VanDerWaalsContact C-N 3.32Å; R25-F28 WeakPolarHBondContact O-CB 3.22Å; R25-F28 PolarHBondContact O-N 2.65Å; R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 IonicContact CZ-OE1 3.92Å; R25-E29 IonicContact NE-OE1 3.29Å; R25-E29 PolarHBondContact NE-OE1 3.14Å; R25-E29 IonicContact NH2-OE1 3.45Å; R25-E29 PolarHBondContact NH2-OE1 3.17Å; R25-E29 WeakPolarHBondContact O-CG 3.48Å; R25-E29 PolarHBondContact O-N 3.4Å; R25-T108 HydrophobicContact CB-CG2 4.13Å
26E93Very high84Confident154 Ų15469.2 Ų69.272%0.7239%0.391SS*.Hα-helixtrans-64.9-41.5179.1-65.9-175.4-179.700110.3D24 E29 A30D24-E26 VanDerWaalsContact C-N 3.34Å; D24-E26 PolarHBondContact O-N 3.42Å; D24-E26 PolarHBondContact OD1-N 3.09Å; E26-E29 PolarHBondContact O-N 2.92Å; E26-A30 WeakPolarHBondContact O-CB 3.44Å; E26-A30 PolarHBondContact O-N 2.89Å
27A94.5Very high86Confident25 Ų2570.7 Ų70.721%0.20739%0.394CS..Hα-helixtrans-63-39.9173.100000112.4K23 D24 R25 A30 E31 F106K23-A27 HydrophobicContact CB-CB 3.8Å; K23-A27 HydrophobicContact CD-CB 4.31Å; K23-A27 HydrophobicContact CG-CB 4.36Å; D24-A27 PolarHBondContact O-N 3.16Å; D24-A27 WeakPolarHBondContact OD1-CB 3.14Å; D24-A27 PolarHBondContact OD1-N 3.09Å; R25-A27 VanDerWaalsContact C-N 3.32Å; A27-A30 PolarHBondContact O-N 3.5Å; A27-E31 WeakPolarHBondContact O-CG 3.17Å; A27-E31 PolarHBondContact O-N 2.82Å; A27-F106 HydrophobicContact CB-CE1 4.24Å
28F94.7Very high87.6Confident11 Ų1170.2 Ų70.25%0.04839%0.388CS..Hα-helixtrans-58.7-49.9173.2170.4-97.3000111.4D24 R25 A30 E31 Y32 L34 I60 F106 M113D24-F28 PolarHBondContact O-N 2.88Å; R25-F28 WeakPolarHBondContact O-CB 3.22Å; R25-F28 PolarHBondContact O-N 2.65Å; F28-A30 PolarHBondContact O-N 2.91Å; F28-E31 PolarHBondContact O-N 2.82Å; F28-E31 VanDerWaalsContact O-N 3.13Å; F28-Y32 HydrophobicContact CD2-CD2 4.19Å; F28-Y32 HydrophobicContact CD2-CG 4.46Å; F28-Y32 HydrophobicContact CE2-CD2 4.42Å; F28-Y32 HydrophobicContact CE2-CG 4.25Å; F28-Y32 PolarHBondContact O-N 2.98Å; F28-L34 HydrophobicContact CZ-CB 4.41Å; F28-L34 HydrophobicContact CZ-CD1 4.42Å; F28-I60 HydrophobicContact CE2-CD1 3.89Å; F28-I60 HydrophobicContact CE2-CG2 4.26Å; F28-I60 HydrophobicContact CZ-CD1 3.8Å; F28-I60 HydrophobicContact CZ-CG2 4.46Å; F28-F106 HydrophobicContact CB-CB 4.44Å; F28-F106 HydrophobicContact CB-CD1 3.53Å; F28-F106 HydrophobicContact CB-CD2 4.28Å; F28-F106 HydrophobicContact CB-CE1 3.78Å; F28-F106 HydrophobicContact CB-CE2 4.49Å; F28-F106 HydrophobicContact CB-CG 3.82Å; F28-F106 HydrophobicContact CB-CZ 4.27Å; F28-F106 AromaticContact CD2-CD2 3.84Å; F28-F106 HydrophobicContact CD2-CD2 3.84Å; F28-F106 AromaticContact CD2-CE2 3.91Å; F28-F106 HydrophobicContact CD2-CE2 3.91Å; F28-F106 HydrophobicContact CD2-CG 4.22Å; F28-F106 HydrophobicContact CD2-CZ 4.32Å; F28-F106 HydrophobicContact CG-CG 4.46Å; F28-F106 VanDerWaalsContact N-CE1 3.34Å; F28-M113 HydrophobicContact CD1-CE 3.92Å; F28-M113 HydrophobicContact CD1-SD 4.21Å; F28-M113 HydrophobicContact CD2-CE 3.99Å; F28-M113 HydrophobicContact CD2-SD 4.37Å; F28-M113 HydrophobicContact CE1-CE 3.56Å; F28-M113 HydrophobicContact CE1-SD 4.44Å; F28-M113 HydrophobicContact CE2-CE 3.62Å; F28-M113 HydrophobicContact CG-CE 4.13Å; F28-M113 HydrophobicContact CG-SD 4.19Å; F28-M113 HydrophobicContact CZ-CE 3.41Å; F28-M113 VanDerWaalsContact CZ-CE 3.41Å
29E95Very high88.6Confident104 Ų10468.5 Ų68.549%0.48638%0.382SS..Hα-helixtrans-67.2-24.6-177.9-68.1176.8-176.900112.5R25 E26R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 IonicContact CZ-OE1 3.92Å; R25-E29 IonicContact NE-OE1 3.29Å; R25-E29 PolarHBondContact NE-OE1 3.14Å; R25-E29 IonicContact NH2-OE1 3.45Å; R25-E29 PolarHBondContact NH2-OE1 3.17Å; R25-E29 WeakPolarHBondContact O-CG 3.48Å; R25-E29 PolarHBondContact O-N 3.4Å; E26-E29 PolarHBondContact O-N 2.92Å
30A96.4Very high89.7Confident75 Ų7576 Ų7662%0.6241%0.414SS*.Hα-helixtrans-76.7-25.7173.500000113.9E26 A27 F28E26-A30 WeakPolarHBondContact O-CB 3.44Å; E26-A30 PolarHBondContact O-N 2.89Å; A27-A30 PolarHBondContact O-N 3.5Å; F28-A30 PolarHBondContact O-N 2.91Å
31E96.8Very high90.6Very high64 Ų6474 Ų7430%0.29941%0.409SS..Hα-helixtrans-108.3-30.8-174.2-69.3-177.1-142.200113.7K23 A27 F28 L52K23-E31 IonicContact NZ-OE1 2.55Å; K23-E31 PolarHBondContact NZ-OE1 3.13Å; K23-E31 IonicContact NZ-OE2 3.45Å; K23-E31 PolarHBondContact NZ-OE2 3.17Å; A27-E31 WeakPolarHBondContact O-CG 3.17Å; A27-E31 PolarHBondContact O-N 2.82Å; F28-E31 PolarHBondContact O-N 2.82Å; F28-E31 VanDerWaalsContact O-N 3.13Å; E31-L52 PolarHBondContact O-N 3.43Å
32Y97.9Very high91.6Very high9 Ų975.3 Ų75.34%0.03542%0.423CS..EExtended strand (participates in β ladder)trans-134.6155-171.8-60.9-85.4000111.8F28 H50 R51 V58 D104 F106 V115F28-Y32 HydrophobicContact CD2-CD2 4.19Å; F28-Y32 HydrophobicContact CD2-CG 4.46Å; F28-Y32 HydrophobicContact CE2-CD2 4.42Å; F28-Y32 HydrophobicContact CE2-CG 4.25Å; F28-Y32 PolarHBondContact O-N 2.98Å; Y32-H50 WeakPolarHBondContact CA-O 3.41Å; Y32-R51 HydrophobicContact CD1-CB 3.83Å; Y32-R51 HydrophobicContact CD1-CG 4.19Å; Y32-R51 HydrophobicContact CE1-CB 3.64Å; Y32-R51 HydrophobicContact CE1-CG 3.78Å; Y32-V58 HydrophobicContact CD1-CG2 4.14Å; Y32-V58 HydrophobicContact CE1-CG1 4.46Å; Y32-D104 HydrophobicContact CE2-CB 4.38Å; Y32-D104 PolarHBondContact OH-OD2 2.97Å; Y32-F106 AromaticContact CD2-CE2 3.92Å; Y32-F106 HydrophobicContact CD2-CE2 3.92Å; Y32-F106 AromaticContact CD2-CZ 3.79Å; Y32-F106 HydrophobicContact CD2-CZ 3.79Å; Y32-F106 AromaticContact CE2-CE2 3.81Å; Y32-F106 HydrophobicContact CE2-CE2 3.81Å; Y32-F106 AromaticContact CE2-CZ 3.66Å; Y32-F106 HydrophobicContact CE2-CZ 3.66Å; Y32-V115 HydrophobicContact CD1-CG1 4.09Å; Y32-V115 HydrophobicContact CD1-CG2 4.5Å; Y32-V115 HydrophobicContact CD2-CG2 4.26Å; Y32-V115 HydrophobicContact CE1-CG1 3.6Å; Y32-V115 HydrophobicContact CE1-CG2 4.4Å; Y32-V115 HydrophobicContact CE2-CG2 4.18Å; Y32-V115 HydrophobicContact CG-CG2 4.44Å
33R97.9Very high92.1Very high143 Ų14376.2 Ų76.254%0.5442%0.419SS..EExtended strand (participates in β ladder)trans-119.5124.3169.7-174.2166.3-65.3177.5-0.4110.2G49 H50 L52R33-G49 CarbonylContact O-C 3.56Å; R33-G49 WeakPolarHBondContact O-CA 3.13Å; R33-H50 PolarHBondContact N-O 3.06Å; R33-H50 PolarHBondContact O-N 2.95Å; R33-L52 HydrophobicContact CB-CD2 3.97Å
34L97.1Very high92.1Very high78 Ų7873.2 Ų73.241%0.40841%0.407SS..EExtended strand (participates in β ladder)trans-68.2142.4172.3-161.471.3000110.4F28 F47 I60 M113F28-L34 HydrophobicContact CZ-CB 4.41Å; F28-L34 HydrophobicContact CZ-CD1 4.42Å; L34-F47 HydrophobicContact CD1-CB 3.56Å; L34-F47 HydrophobicContact CD1-CD2 4.1Å; L34-F47 HydrophobicContact CD1-CG 3.85Å; L34-F47 HydrophobicContact CD2-CD1 4.49Å; L34-F47 HydrophobicContact CD2-CG 4.42Å; L34-F47 HydrophobicContact CG-CB 4.13Å; L34-F47 HydrophobicContact CG-CD1 4.49Å; L34-F47 HydrophobicContact CG-CG 4.22Å; L34-I60 HydrophobicContact CD1-CB 3.99Å; L34-I60 HydrophobicContact CD1-CD1 3.77Å; L34-I60 HydrophobicContact CD1-CG2 3.89Å; L34-M113 HydrophobicContact CD1-CE 4.44Å
35G97.6Very high92.3Very high30 Ų3070.3 Ų70.331%0.30939%0.393SS..EExtended strand (participates in β ladder)trans-124.3-159.4-179.200000112.3A48G35-A48 WeakPolarHBondContact CA-O 3.4Å; G35-A48 PolarHBondContact N-O 3.31Å
36P97.6Very high92.5Very high96 Ų9666.1 Ų66.162%0.62338%0.381SS*.EExtended strand (participates in β ladder)trans-65.4157.7-178.627.1-35.5000112.7F47 A48P36-F47 CarbonylContact O-C 3.53Å; P36-F47 WeakPolarHBondContact O-CA 3.49Å; P36-A48 HydrophobicContact CG-CB 4.16Å; P36-A48 PolarHBondContact O-N 3.34Å
37L96.8Very high92.8Very high99 Ų9961.1 Ų61.152%0.51836%0.357SS..EExtended strand (participates in β ladder)trans-60.8133.2172.4-179.368.4000110.4G39 T45 F47L37-G39 WeakPolarHBondContact CD1-O 3.25Å; L37-T45 HydrophobicContact CD1-CG2 3.27Å; L37-F47 HydrophobicContact CB-CD1 4.32Å; L37-F47 HydrophobicContact CB-CE1 4.31Å; L37-F47 HydrophobicContact CD1-CD1 4.34Å; L37-F47 HydrophobicContact CD1-CE1 4.05Å; L37-F47 HydrophobicContact CD1-CZ 4.29Å
38L94.2Very high92.9Very high92 Ų9260.2 Ų60.248%0.48235%0.35SS..EExtended strand (participates in β ladder)trans-100.7-41.9170.6-66.5175.1000111.2V46 A48 A59L38-V46 HydrophobicContact CB-CG1 4.39Å; L38-V46 HydrophobicContact CD1-CG1 4.33Å; L38-V46 PolarHBondContact N-O 3.31Å; L38-A48 HydrophobicContact CD1-CB 4.05Å; L38-A48 HydrophobicContact CD2-CB 4.1Å; L38-A48 HydrophobicContact CG-CB 4.03Å; L38-A59 HydrophobicContact CD1-CB 4.47Å
39G91.1Very high93.1Very high31 Ų3159.8 Ų59.832%0.3235%0.349SS..EExtended strand (participates in β ladder)trans-168.4162.9-178.100000112.9L37 V46L37-G39 WeakPolarHBondContact CD1-O 3.25Å; G39-V46 PolarHBondContact N-O 2.8Å; G39-V46 VanDerWaalsContact N-O 3.15Å; G39-V46 PolarHBondContact O-N 3Å
40K88.8Confident93.3Very high158 Ų15856.5 Ų56.569%0.68733%0.333SS*.EExtended strand (participates in β ladder)trans-144.2130.6179-176.3179.7-179.7-176.60109.8T45K40-T45 HydrophobicContact CB-CG2 4.37Å; K40-T45 HydrophobicContact CG-CG2 4.42Å
41G80.2Confident93.3Very high44 Ų4456.3 Ų56.345%0.45432%0.316SS..EExtended strand (participates in β ladder)trans-149-165.3-178.800000113.3F43 G44G41-F43 VanDerWaalsContact C-N 3.29Å; G41-F43 PolarHBondContact O-N 2.78Å; G41-G44 PolarHBondContact N-O 2.72Å; G41-G44 PolarHBondContact O-N 3.46Å
42G75.8Confident93.4Very high58 Ų5855.7 Ų55.760%0.59832%0.315SS*.THydrogen-bonded Turntrans-59.2-40.6177.400000112.5G44G42-G44 VanDerWaalsContact C-N 3.34Å; G42-G44 PolarHBondContact O-N 2.76Å
43F77.1Confident93.3Very high46 Ų4661 Ų6120%0.20235%0.349CS..THydrogen-bonded Turntrans-85.81.1-173-50.4-67.8000114.7G41 K61 L69 D182 S185G41-F43 VanDerWaalsContact C-N 3.29Å; G41-F43 PolarHBondContact O-N 2.78Å; F43-K61 WeakPolarHBondContact O-CE 3.44Å; F43-L69 HydrophobicContact CD1-CD1 4.39Å; F43-L69 HydrophobicContact CE1-CD1 4.14Å; F43-D182 WeakPolarHBondContact CD2-OD2 3.36Å; F43-S185 WeakPolarHBondContact CE1-OG 3.4Å; F43-S185 WeakPolarHBondContact CZ-OG 3.48Å
44G88.9Confident93.3Very high3 Ų358.1 Ų58.13%0.03134%0.344CS..EExtended strand (participates in β ladder)trans140.5-162.1175.600000114G41 G42 V62G41-G44 PolarHBondContact N-O 2.72Å; G41-G44 PolarHBondContact O-N 3.46Å; G42-G44 VanDerWaalsContact C-N 3.34Å; G42-G44 PolarHBondContact O-N 2.76Å; G44-V62 VanDerWaalsContact CA-O 3.29Å; G44-V62 WeakPolarHBondContact CA-O 3.21Å
45T95.1Very high93.3Very high28 Ų2861.5 Ų61.517%0.17235%0.351CS..EExtended strand (participates in β ladder)trans-124.5128177.6-51.90000109L37 K40 F47 V62L37-T45 HydrophobicContact CD1-CG2 3.27Å; K40-T45 HydrophobicContact CB-CG2 4.37Å; K40-T45 HydrophobicContact CG-CG2 4.42Å; T45-F47 HydrophobicContact CG2-CD2 4.26Å; T45-F47 HydrophobicContact CG2-CE1 4.37Å; T45-F47 HydrophobicContact CG2-CE2 3.45Å; T45-F47 VanDerWaalsContact CG2-CE2 3.45Å; T45-F47 HydrophobicContact CG2-CZ 3.51Å; T45-V62 PolarHBondContact N-O 3Å; T45-V62 PolarHBondContact O-N 3.16Å
46V97.1Very high93.2Very high40 Ų4063.4 Ų63.424%0.24235%0.354CS..EExtended strand (participates in β ladder)trans-108.3126.5-176.1-173.30000109.5L38 G39 A59 I60 K61L38-V46 HydrophobicContact CB-CG1 4.39Å; L38-V46 HydrophobicContact CD1-CG1 4.33Å; L38-V46 PolarHBondContact N-O 3.31Å; G39-V46 PolarHBondContact N-O 2.8Å; G39-V46 VanDerWaalsContact N-O 3.15Å; G39-V46 PolarHBondContact O-N 3Å; V46-A59 HydrophobicContact CG1-CB 4.1Å; V46-I60 WeakPolarHBondContact CA-O 3.35Å; V46-K61 HydrophobicContact CG2-CB 4.19Å; V46-K61 HydrophobicContact CG2-CG 4.05Å
47F97.8Very high93.3Very high49 Ų4962.3 Ų62.322%0.21534%0.34CS..EExtended strand (participates in β ladder)trans-113.5152.5176.6-60.8-93.6000110.3L34 P36 L37 T45 A59 I60 V62L34-F47 HydrophobicContact CD1-CB 3.56Å; L34-F47 HydrophobicContact CD1-CD2 4.1Å; L34-F47 HydrophobicContact CD1-CG 3.85Å; L34-F47 HydrophobicContact CD2-CD1 4.49Å; L34-F47 HydrophobicContact CD2-CG 4.42Å; L34-F47 HydrophobicContact CG-CB 4.13Å; L34-F47 HydrophobicContact CG-CD1 4.49Å; L34-F47 HydrophobicContact CG-CG 4.22Å; P36-F47 CarbonylContact O-C 3.53Å; P36-F47 WeakPolarHBondContact O-CA 3.49Å; L37-F47 HydrophobicContact CB-CD1 4.32Å; L37-F47 HydrophobicContact CB-CE1 4.31Å; L37-F47 HydrophobicContact CD1-CD1 4.34Å; L37-F47 HydrophobicContact CD1-CE1 4.05Å; L37-F47 HydrophobicContact CD1-CZ 4.29Å; T45-F47 HydrophobicContact CG2-CD2 4.26Å; T45-F47 HydrophobicContact CG2-CE1 4.37Å; T45-F47 HydrophobicContact CG2-CE2 3.45Å; T45-F47 VanDerWaalsContact CG2-CE2 3.45Å; T45-F47 HydrophobicContact CG2-CZ 3.51Å; F47-A59 CarbonylContact O-C 3.59Å; F47-A59 WeakPolarHBondContact O-CA 3.28Å; F47-I60 PolarHBondContact N-O 3.18Å; F47-I60 PolarHBondContact O-N 3.22Å; F47-V62 HydrophobicContact CD2-CG2 4.04Å; F47-V62 HydrophobicContact CE2-CG2 4Å
48A98.2Very high93.3Very high7 Ų757.6 Ų57.66%0.05832%0.315CS..EExtended strand (participates in β ladder)trans-67.5157.416100000108.9G35 P36 L38G35-A48 WeakPolarHBondContact CA-O 3.4Å; G35-A48 PolarHBondContact N-O 3.31Å; P36-A48 HydrophobicContact CG-CB 4.16Å; P36-A48 PolarHBondContact O-N 3.34Å; L38-A48 HydrophobicContact CD1-CB 4.05Å; L38-A48 HydrophobicContact CD2-CB 4.1Å; L38-A48 HydrophobicContact CG-CB 4.03Å
49G98.2Very high93.5Very high2 Ų253.8 Ų53.82%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-161.4177.5170.500000111.5R33 V58R33-G49 CarbonylContact O-C 3.56Å; R33-G49 WeakPolarHBondContact O-CA 3.13Å; G49-V58 PolarHBondContact N-O 3.32Å; G49-V58 PolarHBondContact O-N 2.88Å
50H98.1Very high93.9Very high35 Ų3552.3 Ų52.316%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-143.9146167.964.2-87.2000112.2Y32 R33 R55 L56Y32-H50 WeakPolarHBondContact CA-O 3.41Å; R33-H50 PolarHBondContact N-O 3.06Å; R33-H50 PolarHBondContact O-N 2.95Å; H50-R55 PolarHBondContact NE2-NH1 2.79Å; H50-L56 CarbonylContact C-O 3.54Å; H50-L56 WeakPolarHBondContact CA-O 3.37Å
51R98Very high94.3Very high71 Ų7145 Ų4527%0.26825%0.25SS..EExtended strand (participates in β ladder)trans-71.4135.6169.8-172163.460.4-170.63.9110Y32 D54 R55 L56Y32-R51 HydrophobicContact CD1-CB 3.83Å; Y32-R51 HydrophobicContact CD1-CG 4.19Å; Y32-R51 HydrophobicContact CE1-CB 3.64Å; Y32-R51 HydrophobicContact CE1-CG 3.78Å; R51-D54 WeakPolarHBondContact CB-OD1 3.4Å; R51-D54 IonicContact CZ-OD1 3.56Å; R51-D54 IonicContact CZ-OD2 2.72Å; R51-D54 IonicContact NE-OD1 3.94Å; R51-D54 PolarHBondContact NE-OD1 2.98Å; R51-D54 IonicContact NE-OD2 2.77Å; R51-D54 PolarHBondContact NE-OD2 3.46Å; R51-D54 IonicContact NH2-OD1 2.75Å; R51-D54 IonicContact NH2-OD2 2.67Å; R51-D54 PolarHBondContact NH2-OD2 3.23Å; R51-R55 WeakPolarHBondContact O-CA 3.43Å; R51-R55 PolarHBondContact O-N 2.85Å; R51-L56 HydrophobicContact CB-CB 4.2Å; R51-L56 PolarHBondContact N-O 3.48Å
52L97.8Very high95.1Very high50 Ų5044.9 Ų44.926%0.26224%0.241SC..THydrogen-bonded Turntrans-72.7-32-172.2-67.8-178.5000112.9E31 R33E31-L52 PolarHBondContact O-N 3.43Å; R33-L52 HydrophobicContact CB-CD2 3.97Å
53T97Very high96Very high122 Ų12242.4 Ų42.475%0.74821%0.214SC*.THydrogen-bonded Turntrans-70.3-39.6-17452.60000113.5
54D96.3Very high96.8Very high82 Ų8242 Ų4244%0.43922%0.215SC..THydrogen-bonded Turntrans-131.74.5-172.866.5-12.2000114R51 L56R51-D54 WeakPolarHBondContact CB-OD1 3.4Å; R51-D54 IonicContact CZ-OD1 3.56Å; R51-D54 IonicContact CZ-OD2 2.72Å; R51-D54 IonicContact NE-OD1 3.94Å; R51-D54 PolarHBondContact NE-OD1 2.98Å; R51-D54 IonicContact NE-OD2 2.77Å; R51-D54 PolarHBondContact NE-OD2 3.46Å; R51-D54 IonicContact NH2-OD1 2.75Å; R51-D54 IonicContact NH2-OD2 2.67Å; R51-D54 PolarHBondContact NH2-OD2 3.23Å; D54-L56 PolarHBondContact O-N 2.88Å; D54-L56 VanDerWaalsContact O-N 3.16Å; D54-L56 VanDerWaalsContact OD1-CB 3.22Å; D54-L56 WeakPolarHBondContact OD1-CB 3.44Å; D54-L56 PolarHBondContact OD1-N 3.07Å; D54-L56 VanDerWaalsContact OD1-N 3.09Å
55R96.8Very high96.9Very high149 Ų14946.2 Ų46.256%0.56223%0.23SC*.  trans60.119.1-177.4-53.4-59.6-174.1161.80.2113.9H50 R51 Q57H50-R55 PolarHBondContact NE2-NH1 2.79Å; R51-R55 WeakPolarHBondContact O-CA 3.43Å; R51-R55 PolarHBondContact O-N 2.85Å; R55-Q57 PolarHBondContact O-N 3.47Å; R55-Q57 PolarHBondContact O-NE2 2.68Å; R55-Q57 VanDerWaalsContact O-NE2 3.14Å
56L97.3Very high96.7Very high70 Ų7051.7 Ų51.737%0.36626%0.259SS..  trans-54.4124174.8178.364.3000109.3H50 R51 D54 V58 L103H50-L56 CarbonylContact C-O 3.54Å; H50-L56 WeakPolarHBondContact CA-O 3.37Å; R51-L56 HydrophobicContact CB-CB 4.2Å; R51-L56 PolarHBondContact N-O 3.48Å; D54-L56 PolarHBondContact O-N 2.88Å; D54-L56 VanDerWaalsContact O-N 3.16Å; D54-L56 VanDerWaalsContact OD1-CB 3.22Å; D54-L56 WeakPolarHBondContact OD1-CB 3.44Å; D54-L56 PolarHBondContact OD1-N 3.07Å; D54-L56 VanDerWaalsContact OD1-N 3.09Å; L56-V58 HydrophobicContact CD2-CG1 4.4Å; L56-V58 HydrophobicContact CG-CG1 4.24Å; L56-L103 HydrophobicContact CD2-CD1 4.15Å
57Q98.1Very high96.3Very high72 Ų7255.3 Ų55.334%0.33627%0.268SS..EExtended strand (participates in β ladder)trans-73.4131.5176.3-62.4-60.2-60.500109.3R55 L120R55-Q57 PolarHBondContact O-N 3.47Å; R55-Q57 PolarHBondContact O-NE2 2.68Å; R55-Q57 VanDerWaalsContact O-NE2 3.14Å; Q57-L120 HydrophobicContact CB-CD1 3.63Å; Q57-L120 HydrophobicContact CG-CD1 3.63Å
58V98.4Very high96Very high0 Ų054.1 Ų54.10%027%0.265CS..EExtended strand (participates in β ladder)trans-134.2160.2-176.9-62.50000110.4Y32 G49 L56 I60 L103 V115 L116 R118Y32-V58 HydrophobicContact CD1-CG2 4.14Å; Y32-V58 HydrophobicContact CE1-CG1 4.46Å; G49-V58 PolarHBondContact N-O 3.32Å; G49-V58 PolarHBondContact O-N 2.88Å; L56-V58 HydrophobicContact CD2-CG1 4.4Å; L56-V58 HydrophobicContact CG-CG1 4.24Å; V58-I60 HydrophobicContact CG2-CD1 4.24Å; V58-I60 HydrophobicContact CG2-CG1 4.07Å; V58-L103 HydrophobicContact CG1-CD1 3.72Å; V58-V115 HydrophobicContact CB-CG1 3.77Å; V58-V115 HydrophobicContact CG1-CG1 3.85Å; V58-V115 HydrophobicContact CG2-CG1 3.93Å; V58-L116 WeakPolarHBondContact CA-O 3.27Å; V58-L116 WeakPolarHBondContact CB-O 3.47Å; V58-R118 VanDerWaalsContact O-CD 3.28Å; V58-R118 WeakPolarHBondContact O-CD 3.3Å; V58-R118 PolarHBondContact O-NE 3.37Å
59A98.4Very high95.5Very high12 Ų1258.6 Ų58.610%0.09929%0.287CS..EExtended strand (participates in β ladder)trans-104.7138166.800000108.1L38 V46 F47 L116 R118L38-A59 HydrophobicContact CD1-CB 4.47Å; V46-A59 HydrophobicContact CG1-CB 4.1Å; F47-A59 CarbonylContact O-C 3.59Å; F47-A59 WeakPolarHBondContact O-CA 3.28Å; A59-L116 HydrophobicContact CB-CB 4.29Å; A59-L116 PolarHBondContact N-O 3.27Å; A59-L116 PolarHBondContact O-N 3.05Å; A59-R118 HydrophobicContact CB-CB 4.28Å; A59-R118 HydrophobicContact CB-CG 4.4Å
60I98.1Very high95.1Very high0 Ų059.3 Ų59.30%030%0.295CS..EExtended strand (participates in β ladder)trans-120.5103.2-175.9-59.8166000107.5F28 L34 V46 F47 V58 V62 M113 L114F28-I60 HydrophobicContact CE2-CD1 3.89Å; F28-I60 HydrophobicContact CE2-CG2 4.26Å; F28-I60 HydrophobicContact CZ-CD1 3.8Å; F28-I60 HydrophobicContact CZ-CG2 4.46Å; L34-I60 HydrophobicContact CD1-CB 3.99Å; L34-I60 HydrophobicContact CD1-CD1 3.77Å; L34-I60 HydrophobicContact CD1-CG2 3.89Å; V46-I60 WeakPolarHBondContact CA-O 3.35Å; F47-I60 PolarHBondContact N-O 3.18Å; F47-I60 PolarHBondContact O-N 3.22Å; V58-I60 HydrophobicContact CG2-CD1 4.24Å; V58-I60 HydrophobicContact CG2-CG1 4.07Å; I60-V62 HydrophobicContact CG2-CG2 4.44Å; I60-M113 HydrophobicContact CG2-CB 4.34Å; I60-M113 HydrophobicContact CG2-CE 3.67Å; I60-L114 CarbonylContact C-O 3.58Å; I60-L114 VanDerWaalsContact CA-O 3.32Å; I60-L114 WeakPolarHBondContact CA-O 3.39Å
61K97.6Very high94.9Very high5 Ų563.5 Ų63.52%0.02231%0.309CS..EExtended strand (participates in β ladder)trans-89119.6177.5-174.9-178.9-166.3-170.50109.1F43 V46 I63 E83 M113 L114 L116 D182F43-K61 WeakPolarHBondContact O-CE 3.44Å; V46-K61 HydrophobicContact CG2-CB 4.19Å; V46-K61 HydrophobicContact CG2-CG 4.05Å; K61-I63 HydrophobicContact CD-CD1 4.44Å; K61-I63 HydrophobicContact CD-CG1 4.42Å; K61-I63 HydrophobicContact CG-CG1 4.21Å; K61-E83 WeakPolarHBondContact CD-OE1 3.42Å; K61-E83 IonicContact NZ-OE1 3.44Å; K61-E83 PolarHBondContact NZ-OE1 3.34Å; K61-E83 IonicContact NZ-OE2 3.68Å; K61-E83 PolarHBondContact NZ-OE2 3.38Å; K61-M113 CarbonylContact O-C 3.52Å; K61-M113 WeakPolarHBondContact O-CA 3.4Å; K61-L114 HydrophobicContact CB-CB 4.3Å; K61-L114 PolarHBondContact N-O 2.82Å; K61-L114 PolarHBondContact O-N 2.85Å; K61-L116 HydrophobicContact CB-CD1 4.23Å; K61-D182 VanDerWaalsContact NZ-CG 3.28Å; K61-D182 IonicContact NZ-OD1 2.76Å; K61-D182 PolarHBondContact NZ-OD1 3.35Å; K61-D182 IonicContact NZ-OD2 3.52Å; K61-D182 PolarHBondContact NZ-OD2 2.91Å
62V96.3Very high94.8Very high41 Ų4160.8 Ų60.825%0.24830%0.301CS..EExtended strand (participates in β ladder)trans-100.8121.8176.5-175.90000109.2G44 T45 F47 I60 F112 M113G44-V62 VanDerWaalsContact CA-O 3.29Å; G44-V62 WeakPolarHBondContact CA-O 3.21Å; T45-V62 PolarHBondContact N-O 3Å; T45-V62 PolarHBondContact O-N 3.16Å; F47-V62 HydrophobicContact CD2-CG2 4.04Å; F47-V62 HydrophobicContact CE2-CG2 4Å; I60-V62 HydrophobicContact CG2-CG2 4.44Å; V62-F112 CarbonylContact C-O 3.59Å; V62-F112 WeakPolarHBondContact CA-O 3.36Å; V62-M113 HydrophobicContact CG2-CE 4.27Å; V62-M113 HydrophobicContact CG2-CG 4.26Å
63I95.2Very high94.5Very high6 Ų663 Ų633%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-114.4108.8-179.6-50.6177.2000108.2K61 V68 E83 G111 F112 L114K61-I63 HydrophobicContact CD-CD1 4.44Å; K61-I63 HydrophobicContact CD-CG1 4.42Å; K61-I63 HydrophobicContact CG-CG1 4.21Å; I63-V68 HydrophobicContact CG2-CG2 4.03Å; I63-E83 VanDerWaalsContact CD1-OE2 3.28Å; I63-E83 WeakPolarHBondContact CD1-OE2 3.34Å; I63-G111 CarbonylContact O-C 3.12Å; I63-G111 VanDerWaalsContact O-CA 3.31Å; I63-G111 WeakPolarHBondContact O-CA 3.47Å; I63-F112 HydrophobicContact CB-CB 4.46Å; I63-F112 PolarHBondContact N-O 2.82Å; I63-F112 PolarHBondContact O-N 2.98Å; I63-L114 HydrophobicContact CD1-CD1 3.7Å; I63-L114 HydrophobicContact CD1-CD2 4.37Å; I63-L114 HydrophobicContact CG1-CD1 4.29Å
64P93.7Very high94Very high37 Ų3758.4 Ų58.424%0.2429%0.289CS..EExtended strand (participates in β ladder)trans-57.4141.6173.3-2535.2000111.4N66 R67P64-N66 VanDerWaalsContact CB-OD1 3.29Å; P64-N66 WeakPolarHBondContact CB-OD1 3.2Å; P64-N66 PolarHBondContact O-N 3.09Å; P64-N66 VanDerWaalsContact O-N 3.12Å; P64-R67 HydrophobicContact CB-CB 4.47Å; P64-R67 HydrophobicContact CB-CG 4.27Å; P64-R67 HydrophobicContact CG-CG 4.47Å; P64-R67 PolarHBondContact O-N 2.97Å
65R91.4Very high93.6Very high92 Ų9256.5 Ų56.535%0.34728%0.282SS..G310 helixtrans-56.9-34.3-175.9-167.8173.6-66.8-91.3-2113.3R67 E107 T108 E110 F112R65-R67 PolarHBondContact O-N 3.4Å; R65-E107 IonicContact CZ-OE1 3.42Å; R65-E107 VanDerWaalsContact CZ-OE1 3.24Å; R65-E107 IonicContact NH1-OE1 3.61Å; R65-E107 PolarHBondContact NH1-OE1 2.77Å; R65-E107 IonicContact NH2-OE1 3.72Å; R65-E107 PolarHBondContact NH2-OE1 3.13Å; R65-T108 PolarHBondContact NH2-O 2.83Å; R65-E110 PolarHBondContact N-O 3.42Å; R65-E110 VanDerWaalsContact N-O 3.09Å; R65-F112 HydrophobicContact CG-CE2 4.39Å
66N90.4Very high92.9Very high144 Ų14458.2 Ų58.277%0.7730%0.302SS*.G310 helixtrans-77-1.6177.969.3-21.6000114.7P64P64-N66 VanDerWaalsContact CB-OD1 3.29Å; P64-N66 WeakPolarHBondContact CB-OD1 3.2Å; P64-N66 PolarHBondContact O-N 3.09Å; P64-N66 VanDerWaalsContact O-N 3.12Å
67R90.1Very high92.2Very high116 Ų11660.1 Ų60.144%0.43832%0.322SS..G310 helixtrans-112.15.1176.6-65.5-171.1-178.6-169.4-3.4113.2P64 R65 L69P64-R67 HydrophobicContact CB-CB 4.47Å; P64-R67 HydrophobicContact CB-CG 4.27Å; P64-R67 HydrophobicContact CG-CG 4.47Å; P64-R67 PolarHBondContact O-N 2.97Å; R65-R67 PolarHBondContact O-N 3.4Å; R67-L69 PolarHBondContact O-N 2.8Å
68V90.4Very high91.8Very high24 Ų2457.8 Ų57.815%0.14531%0.312CS..  trans-71.2112.1174.8176.60000108.6I63 G70 W71 P81 F112I63-V68 HydrophobicContact CG2-CG2 4.03Å; V68-G70 VanDerWaalsContact C-N 3.34Å; V68-G70 WeakPolarHBondContact CG1-O 3.35Å; V68-W71 HydrophobicContact CB-CZ2 4.18Å; V68-W71 HydrophobicContact CG1-CD2 4.07Å; V68-W71 HydrophobicContact CG1-CG 4.44Å; V68-W71 HydrophobicContact CG1-CZ2 3.97Å; V68-W71 HydrophobicContact CG2-CZ2 4.34Å; V68-P81 HydrophobicContact CG1-CB 3.94Å; V68-P81 HydrophobicContact CG1-CG 4.39Å; V68-P81 HydrophobicContact CG2-CB 4.43Å; V68-P81 HydrophobicContact CG2-CG 4.28Å; V68-F112 HydrophobicContact CG2-CD2 3.82Å; V68-F112 HydrophobicContact CG2-CE2 3.91Å
69L87.3Confident91.5Very high101 Ų10161.8 Ų61.853%0.52934%0.337SS..  trans-72.3-27.4-177.2-62.5-176.8000113.1F43 R67 D198F43-L69 HydrophobicContact CD1-CD1 4.39Å; F43-L69 HydrophobicContact CE1-CD1 4.14Å; R67-L69 PolarHBondContact O-N 2.8Å; L69-D198 HydrophobicContact CD1-CB 4.02Å
70G91.2Very high91.4Very high17 Ų1761.2 Ų61.218%0.17533%0.332CS..  trans-160.3162.1-179.700000112.1V68 L82V68-G70 VanDerWaalsContact C-N 3.34Å; V68-G70 WeakPolarHBondContact CG1-O 3.35Å; G70-L82 WeakPolarHBondContact O-CB 3.16Å; G70-L82 PolarHBondContact O-N 3.38Å
71W94.2Very high91.2Very high122 Ų12261.4 Ų61.446%0.46233%0.333SS..EExtended strand (participates in β ladder)trans-122.7145.8177.2-6285.4000109.3V68 T79 C80 P81 F112V68-W71 HydrophobicContact CB-CZ2 4.18Å; V68-W71 HydrophobicContact CG1-CD2 4.07Å; V68-W71 HydrophobicContact CG1-CG 4.44Å; V68-W71 HydrophobicContact CG1-CZ2 3.97Å; V68-W71 HydrophobicContact CG2-CZ2 4.34Å; W71-T79 HydrophobicContact CB-CG2 4.05Å; W71-T79 HydrophobicContact CE3-CG2 4.14Å; W71-C80 WeakPolarHBondContact CA-O 3.39Å; W71-P81 HydrophobicContact CZ3-CG 4.48Å; W71-F112 HydrophobicContact CH2-CE1 4.44Å; W71-F112 AromaticContact CH2-CE2 3.39Å; W71-F112 HydrophobicContact CH2-CE2 3.39Å; W71-F112 AromaticContact CH2-CZ 3.26Å; W71-F112 HydrophobicContact CH2-CZ 3.26Å; W71-F112 HydrophobicContact CZ2-CE2 4.24Å; W71-F112 HydrophobicContact CZ2-CZ 4.46Å; W71-F112 HydrophobicContact CZ3-CE1 4.24Å; W71-F112 AromaticContact CZ3-CE2 3.9Å; W71-F112 HydrophobicContact CZ3-CE2 3.9Å; W71-F112 AromaticContact CZ3-CZ 3.42Å; W71-F112 HydrophobicContact CZ3-CZ 3.42Å; W71-F112 VanDerWaalsContact CZ3-CZ 3.42Å
72S94.3Very high91.2Very high14 Ų1462.8 Ų62.810%0.09834%0.341CS..EExtended strand (participates in β ladder)trans-142.6141179.4-162.90000110.9L74 C80S72-L74 PolarHBondContact O-N 3.39Å; S72-C80 PolarHBondContact N-O 2.73Å; S72-C80 PolarHBondContact O-N 2.8Å
73P91.5Very high91.2Very high97 Ų9761.4 Ų61.463%0.6333%0.332SS*.EExtended strand (participates in β ladder)trans-66.3124.8170.228.6-33.1000109.2
74L87.9Confident91.3Very high26 Ų2661.1 Ų61.114%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-89.4-33.2174.1-163.765.1000111.2P19 P20 S72 V78 V84 A85 W88 W105P19-L74 HydrophobicContact CB-CD2 4.14Å; P20-L74 HydrophobicContact CB-CD2 4.34Å; S72-L74 PolarHBondContact O-N 3.39Å; L74-V78 HydrophobicContact CB-CB 4.41Å; L74-V78 HydrophobicContact CB-CG1 4.18Å; L74-V78 HydrophobicContact CD2-CG1 4.36Å; L74-V78 PolarHBondContact N-O 2.93Å; L74-V84 HydrophobicContact CD2-CG1 4.4Å; L74-A85 HydrophobicContact CD1-CB 4.16Å; L74-W88 HydrophobicContact CD1-CB 3.86Å; L74-W88 HydrophobicContact CD1-CG 3.85Å; L74-W105 HydrophobicContact CD2-CZ2 4.19Å
75S86.3Confident91.4Very high42 Ų4259.5 Ų59.529%0.29432%0.32SS..EExtended strand (participates in β ladder)trans-155.1173.7172.4600000109.1S77 V78S75-S77 PolarHBondContact O-N 3.15Å; S75-V78 PolarHBondContact N-O 3.21Å; S75-V78 PolarHBondContact O-N 3.23Å; S75-V78 WeakPolarHBondContact OG-CB 3.42Å; S75-V78 WeakPolarHBondContact OG-CG2 3.41Å
76D83.1Confident91.7Very high184 Ų18455.1 Ų55.198%0.98430%0.304SS*.THydrogen-bonded Turntrans-52.7-28.5-178.1-62.3-18000114.6
77S83.6Confident92Very high110 Ų11048.4 Ų48.477%0.76927%0.268SS*.THydrogen-bonded Turntrans-110-0.5-177.957.10000115.2S75S75-S77 PolarHBondContact O-N 3.15Å
78V88.9Confident92.3Very high23 Ų2346 Ų4614%0.13926%0.258CS..EExtended strand (participates in β ladder)trans-131.8120.1-171.4-179.90000110.6P20 L74 S75 W105P20-V78 HydrophobicContact CB-CG2 4.49Å; L74-V78 HydrophobicContact CB-CB 4.41Å; L74-V78 HydrophobicContact CB-CG1 4.18Å; L74-V78 HydrophobicContact CD2-CG1 4.36Å; L74-V78 PolarHBondContact N-O 2.93Å; S75-V78 PolarHBondContact N-O 3.21Å; S75-V78 PolarHBondContact O-N 3.23Å; S75-V78 WeakPolarHBondContact OG-CB 3.42Å; S75-V78 WeakPolarHBondContact OG-CG2 3.41Å; V78-W105 HydrophobicContact CG1-CH2 4.26Å; V78-W105 HydrophobicContact CG1-CZ2 3.87Å
79T92.6Very high92.6Very high85 Ų8549 Ų4952%0.52127%0.27SS..EExtended strand (participates in β ladder)trans-106137.5168-57.50000108.9W71W71-T79 HydrophobicContact CB-CG2 4.05Å; W71-T79 HydrophobicContact CE3-CG2 4.14Å
80C94.7Very high93.1Very high0 Ų044.3 Ų44.30%025%0.245CC..EExtended strand (participates in β ladder)trans-138.7168.2-178.567.80000110.7W71 S72 V84 W105W71-C80 WeakPolarHBondContact CA-O 3.39Å; S72-C80 PolarHBondContact N-O 2.73Å; S72-C80 PolarHBondContact O-N 2.8Å; C80-V84 HydrophobicContact CB-CB 4.1Å; C80-V84 HydrophobicContact CB-CG1 4.03Å; C80-W105 HydrophobicContact CB-CH2 3.45Å; C80-W105 VanDerWaalsContact CB-CH2 3.45Å; C80-W105 HydrophobicContact CB-CZ2 3.71Å; C80-W105 HydrophobicContact CB-CZ3 3.9Å
81P95.8Very high93.3Very high3 Ų344.3 Ų44.32%0.01925%0.246CC..EExtended strand (participates in β ladder)trans-53.3142.2167.4-25.735.2000111.2V68 W71 E83 V84 A85 F112V68-P81 HydrophobicContact CG1-CB 3.94Å; V68-P81 HydrophobicContact CG1-CG 4.39Å; V68-P81 HydrophobicContact CG2-CB 4.43Å; V68-P81 HydrophobicContact CG2-CG 4.28Å; W71-P81 HydrophobicContact CZ3-CG 4.48Å; P81-E83 PolarHBondContact O-N 3.15Å; P81-V84 HydrophobicContact CB-CG2 4.26Å; P81-V84 HydrophobicContact CG-CG2 4.32Å; P81-V84 WeakPolarHBondContact O-CB 3.32Å; P81-V84 PolarHBondContact O-N 2.82Å; P81-A85 PolarHBondContact O-N 3.05Å; P81-F112 HydrophobicContact CG-CB 4.09Å; P81-F112 HydrophobicContact CG-CD1 3.65Å; P81-F112 HydrophobicContact CG-CD2 3.47Å; P81-F112 VanDerWaalsContact CG-CD2 3.47Å; P81-F112 HydrophobicContact CG-CE1 3.93Å; P81-F112 HydrophobicContact CG-CE2 3.78Å; P81-F112 HydrophobicContact CG-CG 3.41Å; P81-F112 VanDerWaalsContact CG-CG 3.41Å; P81-F112 HydrophobicContact CG-CZ 4.01Å
82L95.8Very high93.1Very high35 Ų3540.4 Ų40.418%0.18324%0.239CC..Hα-helixtrans-53.1-42.6-178.6179.761.2000111.6G70 V84 A85 L86 G186G70-L82 WeakPolarHBondContact O-CB 3.16Å; G70-L82 PolarHBondContact O-N 3.38Å; L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 PolarHBondContact O-N 2.97Å; L82-A85 WeakPolarHBondContact O-CB 3.3Å; L82-A85 PolarHBondContact O-N 2.75Å; L82-L86 HydrophobicContact CD1-CD1 4.34Å; L82-L86 HydrophobicContact CD1-CD2 4.01Å; L82-L86 HydrophobicContact CD1-CG 4Å; L82-L86 HydrophobicContact CD2-CD1 4.49Å; L82-L86 HydrophobicContact CG-CD1 3.95Å; L82-L86 HydrophobicContact CG-CG 4.05Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.2Å; L82-G186 WeakPolarHBondContact CD2-O 3.16Å
83E96.7Very high92.8Very high12 Ų1243.7 Ų43.76%0.05628%0.275CS..Hα-helixtrans-54.5-40.8177-174.4174.8175.600113K61 I63 P81 L86 L87 L114 F183K61-E83 WeakPolarHBondContact CD-OE1 3.42Å; K61-E83 IonicContact NZ-OE1 3.44Å; K61-E83 PolarHBondContact NZ-OE1 3.34Å; K61-E83 IonicContact NZ-OE2 3.68Å; K61-E83 PolarHBondContact NZ-OE2 3.38Å; I63-E83 VanDerWaalsContact CD1-OE2 3.28Å; I63-E83 WeakPolarHBondContact CD1-OE2 3.34Å; P81-E83 PolarHBondContact O-N 3.15Å; E83-L86 PolarHBondContact O-N 2.79Å; E83-L87 HydrophobicContact CG-CD1 3.97Å; E83-L87 WeakPolarHBondContact O-CB 3.38Å; E83-L87 WeakPolarHBondContact O-CG 3.2Å; E83-L87 PolarHBondContact O-N 2.9Å; E83-L114 HydrophobicContact CG-CD2 3.99Å; E83-F183 HydrophobicContact CG-CB 4.11Å
84V96.9Very high92.7Very high0 Ų040.5 Ų40.50%026%0.26CS..Hα-helixtrans-62.5-47.2175.8174.20000110.2L74 C80 P81 L82 W88 L102 W105 L114L74-V84 HydrophobicContact CD2-CG1 4.4Å; C80-V84 HydrophobicContact CB-CB 4.1Å; C80-V84 HydrophobicContact CB-CG1 4.03Å; P81-V84 HydrophobicContact CB-CG2 4.26Å; P81-V84 HydrophobicContact CG-CG2 4.32Å; P81-V84 WeakPolarHBondContact O-CB 3.32Å; P81-V84 PolarHBondContact O-N 2.82Å; L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 PolarHBondContact O-N 2.97Å; V84-W88 WeakPolarHBondContact O-CB 3.31Å; V84-W88 PolarHBondContact O-N 2.78Å; V84-L102 HydrophobicContact CG1-CD2 4.05Å; V84-W105 HydrophobicContact CG1-CB 4.4Å; V84-W105 HydrophobicContact CG1-CD2 3.75Å; V84-W105 HydrophobicContact CG1-CE3 4.4Å; V84-W105 HydrophobicContact CG1-CG 3.73Å; V84-W105 HydrophobicContact CG2-CB 4.34Å; V84-W105 HydrophobicContact CG2-CD2 4.25Å; V84-W105 HydrophobicContact CG2-CE3 4.24Å; V84-W105 HydrophobicContact CG2-CG 4.31Å; V84-L114 HydrophobicContact CG2-CD1 3.79Å; V84-L114 HydrophobicContact CG2-CD2 3.96Å; V84-L114 HydrophobicContact CG2-CG 3.82Å
85A96.6Very high93Very high3 Ų340.3 Ų40.33%0.02526%0.264CS..Hα-helixtrans-63.9-41.5179.600000112.6L74 P81 L82 W88 K89L74-A85 HydrophobicContact CD1-CB 4.16Å; P81-A85 PolarHBondContact O-N 3.05Å; L82-A85 WeakPolarHBondContact O-CB 3.3Å; L82-A85 PolarHBondContact O-N 2.75Å; A85-W88 PolarHBondContact O-N 3.15Å; A85-K89 VanDerWaalsContact O-CG 3.32Å; A85-K89 WeakPolarHBondContact O-CG 3.39Å; A85-K89 PolarHBondContact O-N 3.47Å
86L97.8Very high93.5Very high0 Ų040 Ų400%026%0.258CS..Hα-helixtrans-65.1-49.7178.3-62.1-178.6000111.1L82 E83 W88 K89 V90 V159 F183 L188L82-L86 HydrophobicContact CD1-CD1 4.34Å; L82-L86 HydrophobicContact CD1-CD2 4.01Å; L82-L86 HydrophobicContact CD1-CG 4Å; L82-L86 HydrophobicContact CD2-CD1 4.49Å; L82-L86 HydrophobicContact CG-CD1 3.95Å; L82-L86 HydrophobicContact CG-CG 4.05Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.2Å; E83-L86 PolarHBondContact O-N 2.79Å; L86-W88 VanDerWaalsContact C-N 3.27Å; L86-W88 PolarHBondContact O-N 2.85Å; L86-K89 PolarHBondContact O-N 2.89Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 2.85Å; L86-V159 HydrophobicContact CB-CG1 4.1Å; L86-V159 HydrophobicContact CD2-CG1 4.06Å; L86-V159 HydrophobicContact CD2-CG2 3.95Å; L86-V159 HydrophobicContact CG-CG1 4.43Å; L86-F183 HydrophobicContact CB-CB 4.31Å; L86-F183 HydrophobicContact CB-CD1 4.21Å; L86-F183 HydrophobicContact CD1-CB 4.48Å; L86-L188 HydrophobicContact CD2-CD2 3.88Å; L86-L188 HydrophobicContact CD2-CG 4.37Å
87L97.6Very high94.2Very high3 Ų334.7 Ų34.72%0.01623%0.234CC..Hα-helixtrans-60.1-37.9177.1-77.1169.5000112.2E83 V90 G91 I100 L102 L114 L116 F183E83-L87 HydrophobicContact CG-CD1 3.97Å; E83-L87 WeakPolarHBondContact O-CB 3.38Å; E83-L87 WeakPolarHBondContact O-CG 3.2Å; E83-L87 PolarHBondContact O-N 2.9Å; L87-V90 VanDerWaalsContact O-CG2 3.27Å; L87-V90 WeakPolarHBondContact O-CG2 3.23Å; L87-G91 PolarHBondContact O-N 3.03Å; L87-I100 HydrophobicContact CD2-CG2 4.17Å; L87-L102 HydrophobicContact CB-CB 3.82Å; L87-L102 HydrophobicContact CB-CD2 4.14Å; L87-L102 HydrophobicContact CD1-CB 4.41Å; L87-L114 HydrophobicContact CD1-CD2 3.86Å; L87-L116 HydrophobicContact CD1-CD2 3.91Å; L87-F183 HydrophobicContact CD2-CB 4.47Å; L87-F183 HydrophobicContact CD2-CD2 3.42Å; L87-F183 VanDerWaalsContact CD2-CD2 3.42Å; L87-F183 HydrophobicContact CD2-CE2 3.8Å; L87-F183 HydrophobicContact CD2-CG 4.03Å; L87-F183 HydrophobicContact CG-CB 4.24Å; L87-F183 HydrophobicContact CG-CD2 4.12Å; L87-F183 HydrophobicContact CG-CG 4.27Å
88W95.8Very high94.8Very high64 Ų6429.7 Ų29.724%0.24220%0.199CC..Hα-helixtrans-64.1-46.7174.6176.4-128.8000112.4T17 P19 L74 V84 A85 L86 V90 G91 A92T17-W88 HydrophobicContact CG2-CH2 3.62Å; T17-W88 HydrophobicContact CG2-CZ3 4.37Å; P19-W88 HydrophobicContact CB-CD2 4.21Å; P19-W88 HydrophobicContact CB-CE3 4.37Å; P19-W88 HydrophobicContact CB-CG 4.36Å; P19-W88 VanDerWaalsContact CD-CD2 3.41Å; P19-W88 HydrophobicContact CG-CB 4.15Å; P19-W88 HydrophobicContact CG-CD2 3.46Å; P19-W88 VanDerWaalsContact CG-CD2 3.46Å; P19-W88 HydrophobicContact CG-CE3 3.2Å; P19-W88 HydrophobicContact CG-CG 3.93Å; P19-W88 HydrophobicContact CG-CH2 4.3Å; P19-W88 HydrophobicContact CG-CZ3 3.7Å; P19-W88 VanDerWaalsContact O-CE2 3.24Å; P19-W88 PolarHBondContact O-NE1 3.44Å; L74-W88 HydrophobicContact CD1-CB 3.86Å; L74-W88 HydrophobicContact CD1-CG 3.85Å; V84-W88 WeakPolarHBondContact O-CB 3.31Å; V84-W88 PolarHBondContact O-N 2.78Å; A85-W88 PolarHBondContact O-N 3.15Å; L86-W88 VanDerWaalsContact C-N 3.27Å; L86-W88 PolarHBondContact O-N 2.85Å; W88-V90 PolarHBondContact O-N 3.02Å; W88-G91 CarbonylContact O-C 3.51Å; W88-G91 PolarHBondContact O-N 2.83Å; W88-G91 VanDerWaalsContact O-N 3.12Å; W88-A92 PolarHBondContact O-N 2.89Å
89K96.1Very high95.3Very high88 Ų8828.9 Ų28.938%0.38319%0.194SC..Hα-helixtrans-61.3-43.1179.6-74.3179.778.2155.50112.3A85 L86 G91 R157 V159 L188A85-K89 VanDerWaalsContact O-CG 3.32Å; A85-K89 WeakPolarHBondContact O-CG 3.39Å; A85-K89 PolarHBondContact O-N 3.47Å; L86-K89 PolarHBondContact O-N 2.89Å; K89-G91 VanDerWaalsContact C-N 3.32Å; K89-R157 PolarHBondContact O-NH1 3.09Å; K89-V159 HydrophobicContact CB-CG2 4.02Å; K89-L188 HydrophobicContact CD-CD2 3.92Å; K89-L188 VanDerWaalsContact NZ-CD2 3.33Å
90V97.6Very high95.5Very high2 Ų225.1 Ų25.11%0.01217%0.171CC..Hα-helixtrans-71.6-28.5176.1-56.80000112L86 L87 W88 G95 V99 H153 C154 R157 V159 F183L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 2.85Å; L87-V90 VanDerWaalsContact O-CG2 3.27Å; L87-V90 WeakPolarHBondContact O-CG2 3.23Å; W88-V90 PolarHBondContact O-N 3.02Å; V90-G95 WeakPolarHBondContact O-CA 3.28Å; V90-V99 HydrophobicContact CG2-CG1 3.85Å; V90-H153 PolarHBondContact O-NE2 3.41Å; V90-C154 HydrophobicContact CG1-CB 4.27Å; V90-R157 HydrophobicContact CG1-CB 4.4Å; V90-V159 HydrophobicContact CG1-CB 3.79Å; V90-V159 HydrophobicContact CG1-CG1 3.95Å; V90-V159 HydrophobicContact CG1-CG2 3.83Å; V90-F183 HydrophobicContact CG1-CE1 4.13Å; V90-F183 HydrophobicContact CG2-CE1 4.39Å; V90-F183 HydrophobicContact CG2-CZ 4.25Å
91G95.6Very high95.6Very high18 Ų1829.9 Ų29.919%0.18619%0.189CC..Hα-helixtrans-77.6-16177.100000115.5L87 W88 K89 G95L87-G91 PolarHBondContact O-N 3.03Å; W88-G91 CarbonylContact O-C 3.51Å; W88-G91 PolarHBondContact O-N 2.83Å; W88-G91 VanDerWaalsContact O-N 3.12Å; K89-G91 VanDerWaalsContact C-N 3.32Å; G91-G95 PolarHBondContact O-N 2.95Å; G91-G95 VanDerWaalsContact O-N 3.15Å
92A90.3Very high95.7Very high39 Ų3930.4 Ų30.432%0.32219%0.191SC..G310 helixtrans-58.3151-178.200000112.2W88 G94 G95 R157W88-A92 PolarHBondContact O-N 2.89Å; A92-G94 PolarHBondContact O-N 2.83Å; A92-G95 PolarHBondContact O-N 2.79Å; A92-R157 VanDerWaalsContact C-NH1 3.35Å; A92-R157 PolarHBondContact O-NH1 3.27Å; A92-R157 PolarHBondContact O-NH2 2.82Å
93G88.6Confident95.7Very high84 Ų8430.3 Ų30.387%0.86619%0.191SC*.G310 helixtrans60.129.5179.100000114.8
94G88.9Confident95.7Very high29 Ų2930 Ų3030%0.29919%0.19SC..G310 helixtrans94.2-13-179.900000115A92 R101A92-G94 PolarHBondContact O-N 2.83Å; G94-R101 PolarHBondContact O-NH2 3.12Å
95G93.9Very high95.7Very high22 Ų2230.1 Ų30.123%0.22719%0.19CC..  trans70.1-159.3179.800000113.7V90 G91 A92V90-G95 WeakPolarHBondContact O-CA 3.28Å; G91-G95 PolarHBondContact O-N 2.95Å; G91-G95 VanDerWaalsContact O-N 3.15Å; A92-G95 PolarHBondContact O-N 2.79Å
96H97.3Very high95.7Very high37 Ų3730 Ų3017%0.17119%0.189CC..  trans-125.7138.3176.7-178-90.8000109.6G98 V99 H153H96-G98 WeakPolarHBondContact ND1-CA 3.43Å; H96-G98 PolarHBondContact ND1-N 2.99Å; H96-G98 PolarHBondContact O-N 2.72Å; H96-G98 VanDerWaalsContact O-N 3.15Å; H96-V99 HydrophobicContact CB-CG2 4.34Å; H96-V99 PolarHBondContact O-N 2.78Å; H96-H153 HydrophobicContact CB-CB 3.91Å; H96-H153 VanDerWaalsContact CB-CD2 3.43Å; H96-H153 WeakPolarHBondContact CB-CD2 3.14Å; H96-H153 VanDerWaalsContact CB-CG 3.44Å
97P96.4Very high95.6Very high72 Ų7233.2 Ų33.247%0.46820%0.204SC..THydrogen-bonded Turntrans-58.1-30.4-17722-35.3000113.9V99 K179 W307P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 PolarHBondContact O-N 2.8Å; P97-K179 WeakPolarHBondContact O-CG 3.39Å; P97-K179 PolarHBondContact O-NZ 3.03Å; P97-W307 HydrophobicContact CB-CH2 4.37Å; P97-W307 HydrophobicContact CG-CH2 3.55Å; P97-W307 HydrophobicContact CG-CZ2 4.1Å
98G97.9Very high95.2Very high4 Ų434 Ų344%0.04121%0.209CC..THydrogen-bonded Turntrans-83.910.9177.200000115.6H96 A150 A178 K179 L180H96-G98 WeakPolarHBondContact ND1-CA 3.43Å; H96-G98 PolarHBondContact ND1-N 2.99Å; H96-G98 PolarHBondContact O-N 2.72Å; H96-G98 VanDerWaalsContact O-N 3.15Å; G98-A150 VanDerWaalsContact O-CB 3.28Å; G98-A150 WeakPolarHBondContact O-CB 3.27Å; G98-A178 WeakPolarHBondContact CA-O 3.32Å; G98-K179 CarbonylContact O-C 3.48Å; G98-K179 WeakPolarHBondContact O-CA 3.21Å; G98-L180 PolarHBondContact O-N 2.8Å
99V98.4Very high94.9Very high7 Ų739.5 Ų39.54%0.04224%0.237CC..BIsolated β-bridgetrans-123.6135.2173.1-1790000108.7V90 H96 P97 R101 A150 F183V90-V99 HydrophobicContact CG2-CG1 3.85Å; H96-V99 HydrophobicContact CB-CG2 4.34Å; H96-V99 PolarHBondContact O-N 2.78Å; P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 PolarHBondContact O-N 2.8Å; V99-R101 PolarHBondContact O-N 3.03Å; V99-A150 HydrophobicContact CG2-CB 3.93Å; V99-F183 HydrophobicContact CG1-CE2 3.75Å; V99-F183 HydrophobicContact CG1-CZ 3.65Å
100I97.8Very high94.4Very high6 Ų640.6 Ų40.63%0.03124%0.244CC..PPolyproline II helixtrans-64.4133.1177.4-155.168.1000110.6L87 L116 E117 P119 K179 L180 I181L87-I100 HydrophobicContact CD2-CG2 4.17Å; I100-L116 HydrophobicContact CG1-CB 4.43Å; I100-E117 HydrophobicContact CD1-CB 3.87Å; I100-E117 HydrophobicContact CD1-CG 4.23Å; I100-E117 WeakPolarHBondContact CD1-O 3.49Å; I100-E117 HydrophobicContact CG1-CB 4.22Å; I100-P119 HydrophobicContact CD1-CG 4.46Å; I100-K179 HydrophobicContact CD1-CD 4.22Å; I100-L180 WeakPolarHBondContact CB-O 3.21Å; I100-L180 PolarHBondContact N-O 3Å; I100-I181 HydrophobicContact CB-CG2 3.79Å; I100-I181 HydrophobicContact CD1-CG2 4.31Å; I100-I181 HydrophobicContact CG1-CG2 4.08Å; I100-I181 HydrophobicContact CG2-CB 4.3Å; I100-I181 HydrophobicContact CG2-CG2 3.99Å
101R96.6Very high94.2Very high100 Ų10040.5 Ų40.538%0.37724%0.244SC..PPolyproline II helixtrans-87.5130.2-176.7-169.5177.4-68.5157.2-2.6111.4G94 V99 L103 L116 E117G94-R101 PolarHBondContact O-NH2 3.12Å; V99-R101 PolarHBondContact O-N 3.03Å; R101-L103 HydrophobicContact CB-CD2 4.36Å; R101-L103 HydrophobicContact CG-CD2 4.08Å; R101-L103 PolarHBondContact O-N 3.35Å; R101-L116 CarbonylContact O-C 3.57Å; R101-L116 WeakPolarHBondContact O-CA 3.28Å; R101-E117 HydrophobicContact CB-CB 4.16Å; R101-E117 PolarHBondContact O-N 2.73Å
102L97.6Very high94.3Very high13 Ų1339.7 Ų39.77%0.06824%0.235CC..EExtended strand (participates in β ladder)trans-73.1119.4160.7-179.671.2000109.4P19 V84 L87 D104 L114 L116P19-L102 HydrophobicContact CB-CD2 4.33Å; P19-L102 HydrophobicContact CG-CD2 3.95Å; V84-L102 HydrophobicContact CG1-CD2 4.05Å; L87-L102 HydrophobicContact CB-CB 3.82Å; L87-L102 HydrophobicContact CB-CD2 4.14Å; L87-L102 HydrophobicContact CD1-CB 4.41Å; L102-D104 WeakPolarHBondContact CD1-O 3.49Å; L102-L114 HydrophobicContact CD1-CB 4.02Å; L102-L114 HydrophobicContact CD1-CD2 4.35Å; L102-L114 HydrophobicContact CD1-CG 4.12Å; L102-L116 HydrophobicContact CB-CD2 4.38Å; L102-L116 HydrophobicContact CD1-CD2 3.88Å
103L96.4Very high94.6Very high33 Ų3338.6 Ų38.617%0.17322%0.223CC..EExtended strand (participates in β ladder)trans-94.9-33.6179.9-56.2179.2000111.7P18 L56 V58 R101 V115P18-L103 WeakPolarHBondContact CD-O 3.36Å; L56-L103 HydrophobicContact CD2-CD1 4.15Å; V58-L103 HydrophobicContact CG1-CD1 3.72Å; R101-L103 HydrophobicContact CB-CD2 4.36Å; R101-L103 HydrophobicContact CG-CD2 4.08Å; R101-L103 PolarHBondContact O-N 3.35Å; L103-V115 HydrophobicContact CB-CG1 4.2Å; L103-V115 WeakPolarHBondContact CB-O 3.31Å; L103-V115 HydrophobicContact CD1-CG1 4.4Å; L103-V115 PolarHBondContact N-O 3.44Å
104D96.4Very high95Very high7 Ų734.6 Ų34.64%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-167.5166.7-177.1-149.2-18000111K23 Y32 L102 F106 V115K23-D104 WeakPolarHBondContact CE-OD1 3.45Å; K23-D104 VanDerWaalsContact CE-OD2 3.3Å; K23-D104 WeakPolarHBondContact CE-OD2 3.41Å; K23-D104 IonicContact NZ-OD1 3.43Å; K23-D104 PolarHBondContact NZ-OD1 2.96Å; K23-D104 IonicContact NZ-OD2 3.61Å; K23-D104 PolarHBondContact NZ-OD2 3.42Å; Y32-D104 HydrophobicContact CE2-CB 4.38Å; Y32-D104 PolarHBondContact OH-OD2 2.97Å; L102-D104 WeakPolarHBondContact CD1-O 3.49Å; D104-F106 HydrophobicContact CB-CE2 3.96Å; D104-F106 HydrophobicContact CB-CZ 4.5Å; D104-F106 WeakPolarHBondContact OD2-CZ 3.48Å; D104-V115 HydrophobicContact CB-CB 3.91Å; D104-V115 HydrophobicContact CB-CG2 4.11Å; D104-V115 PolarHBondContact N-O 3.07Å; D104-V115 PolarHBondContact O-N 2.83Å
105W97.3Very high95.5Very high1 Ų133.2 Ų33.20%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-150.6153.1168.873-66.6000113.3G21 G22 K23 L74 V78 C80 V84 F112 M113G21-W105 VanDerWaalsContact O-CZ2 3.31Å; G21-W105 WeakPolarHBondContact O-CZ2 3.47Å; G21-W105 PolarHBondContact O-NE1 2.95Å; G22-W105 VanDerWaalsContact N-CZ2 3.29Å; K23-W105 PolarHBondContact N-O 2.94Å; L74-W105 HydrophobicContact CD2-CZ2 4.19Å; V78-W105 HydrophobicContact CG1-CH2 4.26Å; V78-W105 HydrophobicContact CG1-CZ2 3.87Å; C80-W105 HydrophobicContact CB-CH2 3.45Å; C80-W105 VanDerWaalsContact CB-CH2 3.45Å; C80-W105 HydrophobicContact CB-CZ2 3.71Å; C80-W105 HydrophobicContact CB-CZ3 3.9Å; V84-W105 HydrophobicContact CG1-CB 4.4Å; V84-W105 HydrophobicContact CG1-CD2 3.75Å; V84-W105 HydrophobicContact CG1-CE3 4.4Å; V84-W105 HydrophobicContact CG1-CG 3.73Å; V84-W105 HydrophobicContact CG2-CB 4.34Å; V84-W105 HydrophobicContact CG2-CD2 4.25Å; V84-W105 HydrophobicContact CG2-CE3 4.24Å; V84-W105 HydrophobicContact CG2-CG 4.31Å; W105-F112 HydrophobicContact CE3-CD1 4.07Å; W105-F112 AromaticContact CZ3-CD1 3.81Å; W105-F112 HydrophobicContact CZ3-CD1 3.81Å; W105-F112 AromaticContact CZ3-CE1 3.91Å; W105-F112 HydrophobicContact CZ3-CE1 3.91Å; W105-M113 CarbonylContact C-O 3.56Å; W105-M113 VanDerWaalsContact CA-O 3.23Å; W105-M113 WeakPolarHBondContact CA-O 3.43Å
106F96.3Very high95.7Very high0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-132.9147.7-173.7-59-96.7000110.5K23 D24 A27 F28 Y32 D104 F112 M113 V115K23-F106 HydrophobicContact CB-CD1 3.3Å; K23-F106 HydrophobicContact CB-CE1 3.42Å; K23-F106 VanDerWaalsContact CB-CE1 3.42Å; K23-F106 HydrophobicContact CB-CG 4.31Å; K23-F106 HydrophobicContact CB-CZ 4.49Å; K23-F106 HydrophobicContact CD-CE1 4.03Å; K23-F106 HydrophobicContact CG-CE1 4.32Å; K23-F106 CarbonylContact O-C 3.56Å; K23-F106 WeakPolarHBondContact O-CA 3.46Å; K23-F106 VanDerWaalsContact O-CB 3.28Å; K23-F106 WeakPolarHBondContact O-CB 3.44Å; D24-F106 WeakPolarHBondContact O-CD1 3.33Å; A27-F106 HydrophobicContact CB-CE1 4.24Å; F28-F106 HydrophobicContact CB-CB 4.44Å; F28-F106 HydrophobicContact CB-CD1 3.53Å; F28-F106 HydrophobicContact CB-CD2 4.28Å; F28-F106 HydrophobicContact CB-CE1 3.78Å; F28-F106 HydrophobicContact CB-CE2 4.49Å; F28-F106 HydrophobicContact CB-CG 3.82Å; F28-F106 HydrophobicContact CB-CZ 4.27Å; F28-F106 AromaticContact CD2-CD2 3.84Å; F28-F106 HydrophobicContact CD2-CD2 3.84Å; F28-F106 AromaticContact CD2-CE2 3.91Å; F28-F106 HydrophobicContact CD2-CE2 3.91Å; F28-F106 HydrophobicContact CD2-CG 4.22Å; F28-F106 HydrophobicContact CD2-CZ 4.32Å; F28-F106 HydrophobicContact CG-CG 4.46Å; F28-F106 VanDerWaalsContact N-CE1 3.34Å; Y32-F106 AromaticContact CD2-CE2 3.92Å; Y32-F106 HydrophobicContact CD2-CE2 3.92Å; Y32-F106 AromaticContact CD2-CZ 3.79Å; Y32-F106 HydrophobicContact CD2-CZ 3.79Å; Y32-F106 AromaticContact CE2-CE2 3.81Å; Y32-F106 HydrophobicContact CE2-CE2 3.81Å; Y32-F106 AromaticContact CE2-CZ 3.66Å; Y32-F106 HydrophobicContact CE2-CZ 3.66Å; D104-F106 HydrophobicContact CB-CE2 3.96Å; D104-F106 HydrophobicContact CB-CZ 4.5Å; D104-F106 WeakPolarHBondContact OD2-CZ 3.48Å; F106-F112 CarbonylContact O-C 3.59Å; F106-F112 WeakPolarHBondContact O-CA 3.35Å; F106-M113 HydrophobicContact CB-CB 4.22Å; F106-M113 PolarHBondContact N-O 2.78Å; F106-M113 PolarHBondContact O-N 3.15Å; F106-V115 HydrophobicContact CD2-CG2 4.11Å; F106-V115 HydrophobicContact CE2-CG2 3.7Å
107E94.4Very high95.6Very high69 Ų6933.6 Ų33.632%0.32216%0.164SC..EExtended strand (participates in β ladder)trans-112.7125.6173.3-179.2166.6-164.400109.2K23 R65 F112K23-E107 PolarHBondContact O-N 2.81Å; R65-E107 IonicContact CZ-OE1 3.42Å; R65-E107 VanDerWaalsContact CZ-OE1 3.24Å; R65-E107 IonicContact NH1-OE1 3.61Å; R65-E107 PolarHBondContact NH1-OE1 2.77Å; R65-E107 IonicContact NH2-OE1 3.72Å; R65-E107 PolarHBondContact NH2-OE1 3.13Å; E107-F112 HydrophobicContact CB-CD1 4.09Å; E107-F112 HydrophobicContact CB-CE1 3.87Å; E107-F112 HydrophobicContact CG-CD1 4.17Å; E107-F112 HydrophobicContact CG-CE1 3.59Å; E107-F112 HydrophobicContact CG-CZ 4.14Å
108T90.1Very high95.7Very high18 Ų1832.6 Ų32.611%0.1115%0.151CC..  trans-116.9173.9175.283.60000110.2R25 R65 E110 G111 M113R25-T108 HydrophobicContact CB-CG2 4.13Å; R65-T108 PolarHBondContact NH2-O 2.83Å; T108-E110 VanDerWaalsContact CB-OE2 3.31Å; T108-E110 WeakPolarHBondContact CB-OE2 3.32Å; T108-E110 PolarHBondContact O-N 3.42Å; T108-E110 PolarHBondContact OG1-N 2.79Å; T108-E110 PolarHBondContact OG1-OE2 3.26Å; T108-G111 PolarHBondContact N-O 2.87Å; T108-G111 PolarHBondContact O-N 3.42Å; T108-G111 PolarHBondContact OG1-N 3.09Å; T108-M113 HydrophobicContact CG2-CG 4.23Å; T108-M113 HydrophobicContact CG2-SD 3.92Å
109Q88Confident95.6Very high180 Ų18032.9 Ų32.984%0.84115%0.152SC*.SBendtrans-61.8-34.5174.1-65.4-174.69.200111.4
110E87.4Confident95.4Very high111 Ų11136.1 Ų36.152%0.51917%0.169SC..SBendtrans-84.3-22.3-176-52.880.6-175.400113.5R65 T108R65-E110 PolarHBondContact N-O 3.42Å; R65-E110 VanDerWaalsContact N-O 3.09Å; T108-E110 VanDerWaalsContact CB-OE2 3.31Å; T108-E110 WeakPolarHBondContact CB-OE2 3.32Å; T108-E110 PolarHBondContact O-N 3.42Å; T108-E110 PolarHBondContact OG1-N 2.79Å; T108-E110 PolarHBondContact OG1-OE2 3.26Å
111G93.5Very high95.3Very high1 Ų138.9 Ų38.91%0.0119%0.187CC..EExtended strand (participates in β ladder)trans162-138.7-177.500000113.8I63 T108I63-G111 CarbonylContact O-C 3.12Å; I63-G111 VanDerWaalsContact O-CA 3.31Å; I63-G111 WeakPolarHBondContact O-CA 3.47Å; T108-G111 PolarHBondContact N-O 2.87Å; T108-G111 PolarHBondContact O-N 3.42Å; T108-G111 PolarHBondContact OG1-N 3.09Å
112F96.1Very high95.3Very high0 Ų035.9 Ų35.90%018%0.184CC..EExtended strand (participates in β ladder)trans-128146.5-174.2-61.7-84.6000110.9V62 I63 R65 V68 W71 P81 W105 F106 E107 L114V62-F112 CarbonylContact C-O 3.59Å; V62-F112 WeakPolarHBondContact CA-O 3.36Å; I63-F112 HydrophobicContact CB-CB 4.46Å; I63-F112 PolarHBondContact N-O 2.82Å; I63-F112 PolarHBondContact O-N 2.98Å; R65-F112 HydrophobicContact CG-CE2 4.39Å; V68-F112 HydrophobicContact CG2-CD2 3.82Å; V68-F112 HydrophobicContact CG2-CE2 3.91Å; W71-F112 HydrophobicContact CH2-CE1 4.44Å; W71-F112 AromaticContact CH2-CE2 3.39Å; W71-F112 HydrophobicContact CH2-CE2 3.39Å; W71-F112 AromaticContact CH2-CZ 3.26Å; W71-F112 HydrophobicContact CH2-CZ 3.26Å; W71-F112 HydrophobicContact CZ2-CE2 4.24Å; W71-F112 HydrophobicContact CZ2-CZ 4.46Å; W71-F112 HydrophobicContact CZ3-CE1 4.24Å; W71-F112 AromaticContact CZ3-CE2 3.9Å; W71-F112 HydrophobicContact CZ3-CE2 3.9Å; W71-F112 AromaticContact CZ3-CZ 3.42Å; W71-F112 HydrophobicContact CZ3-CZ 3.42Å; W71-F112 VanDerWaalsContact CZ3-CZ 3.42Å; P81-F112 HydrophobicContact CG-CB 4.09Å; P81-F112 HydrophobicContact CG-CD1 3.65Å; P81-F112 HydrophobicContact CG-CD2 3.47Å; P81-F112 VanDerWaalsContact CG-CD2 3.47Å; P81-F112 HydrophobicContact CG-CE1 3.93Å; P81-F112 HydrophobicContact CG-CE2 3.78Å; P81-F112 HydrophobicContact CG-CG 3.41Å; P81-F112 VanDerWaalsContact CG-CG 3.41Å; P81-F112 HydrophobicContact CG-CZ 4.01Å; W105-F112 HydrophobicContact CE3-CD1 4.07Å; W105-F112 AromaticContact CZ3-CD1 3.81Å; W105-F112 HydrophobicContact CZ3-CD1 3.81Å; W105-F112 AromaticContact CZ3-CE1 3.91Å; W105-F112 HydrophobicContact CZ3-CE1 3.91Å; F106-F112 CarbonylContact O-C 3.59Å; F106-F112 WeakPolarHBondContact O-CA 3.35Å; E107-F112 HydrophobicContact CB-CD1 4.09Å; E107-F112 HydrophobicContact CB-CE1 3.87Å; E107-F112 HydrophobicContact CG-CD1 4.17Å; E107-F112 HydrophobicContact CG-CE1 3.59Å; E107-F112 HydrophobicContact CG-CZ 4.14Å; F112-L114 HydrophobicContact CB-CD1 4.32Å
113M97.3Very high95.2Very high17 Ų1736.8 Ų36.88%0.08419%0.188CC..EExtended strand (participates in β ladder)trans-123.2118.6174.4-50.417864.200109F28 L34 I60 K61 V62 W105 F106 T108F28-M113 HydrophobicContact CD1-CE 3.92Å; F28-M113 HydrophobicContact CD1-SD 4.21Å; F28-M113 HydrophobicContact CD2-CE 3.99Å; F28-M113 HydrophobicContact CD2-SD 4.37Å; F28-M113 HydrophobicContact CE1-CE 3.56Å; F28-M113 HydrophobicContact CE1-SD 4.44Å; F28-M113 HydrophobicContact CE2-CE 3.62Å; F28-M113 HydrophobicContact CG-CE 4.13Å; F28-M113 HydrophobicContact CG-SD 4.19Å; F28-M113 HydrophobicContact CZ-CE 3.41Å; F28-M113 VanDerWaalsContact CZ-CE 3.41Å; L34-M113 HydrophobicContact CD1-CE 4.44Å; I60-M113 HydrophobicContact CG2-CB 4.34Å; I60-M113 HydrophobicContact CG2-CE 3.67Å; K61-M113 CarbonylContact O-C 3.52Å; K61-M113 WeakPolarHBondContact O-CA 3.4Å; V62-M113 HydrophobicContact CG2-CE 4.27Å; V62-M113 HydrophobicContact CG2-CG 4.26Å; W105-M113 CarbonylContact C-O 3.56Å; W105-M113 VanDerWaalsContact CA-O 3.23Å; W105-M113 WeakPolarHBondContact CA-O 3.43Å; F106-M113 HydrophobicContact CB-CB 4.22Å; F106-M113 PolarHBondContact N-O 2.78Å; F106-M113 PolarHBondContact O-N 3.15Å; T108-M113 HydrophobicContact CG2-CG 4.23Å; T108-M113 HydrophobicContact CG2-SD 3.92Å
114L97.8Very high95.2Very high0 Ų037.3 Ų37.30%019%0.191CC..EExtended strand (participates in β ladder)trans-99.7125.1175.4-74.966.1000108.3I60 K61 I63 E83 V84 L87 L102 F112 L116I60-L114 CarbonylContact C-O 3.58Å; I60-L114 VanDerWaalsContact CA-O 3.32Å; I60-L114 WeakPolarHBondContact CA-O 3.39Å; K61-L114 HydrophobicContact CB-CB 4.3Å; K61-L114 PolarHBondContact N-O 2.82Å; K61-L114 PolarHBondContact O-N 2.85Å; I63-L114 HydrophobicContact CD1-CD1 3.7Å; I63-L114 HydrophobicContact CD1-CD2 4.37Å; I63-L114 HydrophobicContact CG1-CD1 4.29Å; E83-L114 HydrophobicContact CG-CD2 3.99Å; V84-L114 HydrophobicContact CG2-CD1 3.79Å; V84-L114 HydrophobicContact CG2-CD2 3.96Å; V84-L114 HydrophobicContact CG2-CG 3.82Å; L87-L114 HydrophobicContact CD1-CD2 3.86Å; L102-L114 HydrophobicContact CD1-CB 4.02Å; L102-L114 HydrophobicContact CD1-CD2 4.35Å; L102-L114 HydrophobicContact CD1-CG 4.12Å; F112-L114 HydrophobicContact CB-CD1 4.32Å; L114-L116 HydrophobicContact CB-CD2 4.27Å; L114-L116 HydrophobicContact CB-CG 4.41Å
115V98.1Very high95.3Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-94.2116.6172.6-176.40000108.4Y32 V58 L103 D104 F106Y32-V115 HydrophobicContact CD1-CG1 4.09Å; Y32-V115 HydrophobicContact CD1-CG2 4.5Å; Y32-V115 HydrophobicContact CD2-CG2 4.26Å; Y32-V115 HydrophobicContact CE1-CG1 3.6Å; Y32-V115 HydrophobicContact CE1-CG2 4.4Å; Y32-V115 HydrophobicContact CE2-CG2 4.18Å; Y32-V115 HydrophobicContact CG-CG2 4.44Å; V58-V115 HydrophobicContact CB-CG1 3.77Å; V58-V115 HydrophobicContact CG1-CG1 3.85Å; V58-V115 HydrophobicContact CG2-CG1 3.93Å; L103-V115 HydrophobicContact CB-CG1 4.2Å; L103-V115 WeakPolarHBondContact CB-O 3.31Å; L103-V115 HydrophobicContact CD1-CG1 4.4Å; L103-V115 PolarHBondContact N-O 3.44Å; D104-V115 HydrophobicContact CB-CB 3.91Å; D104-V115 HydrophobicContact CB-CG2 4.11Å; D104-V115 PolarHBondContact N-O 3.07Å; D104-V115 PolarHBondContact O-N 2.83Å; F106-V115 HydrophobicContact CD2-CG2 4.11Å; F106-V115 HydrophobicContact CE2-CG2 3.7Å
116L98.1Very high95.4Very high18 Ų1841.2 Ų41.29%0.09421%0.208CC..EExtended strand (participates in β ladder)trans-114.7151.9-173.9-54.8173.8000110.5V58 A59 K61 L87 I100 R101 L102 L114V58-L116 WeakPolarHBondContact CA-O 3.27Å; V58-L116 WeakPolarHBondContact CB-O 3.47Å; A59-L116 HydrophobicContact CB-CB 4.29Å; A59-L116 PolarHBondContact N-O 3.27Å; A59-L116 PolarHBondContact O-N 3.05Å; K61-L116 HydrophobicContact CB-CD1 4.23Å; L87-L116 HydrophobicContact CD1-CD2 3.91Å; I100-L116 HydrophobicContact CG1-CB 4.43Å; R101-L116 CarbonylContact O-C 3.57Å; R101-L116 WeakPolarHBondContact O-CA 3.28Å; L102-L116 HydrophobicContact CB-CD2 4.38Å; L102-L116 HydrophobicContact CD1-CD2 3.88Å; L114-L116 HydrophobicContact CB-CD2 4.27Å; L114-L116 HydrophobicContact CB-CG 4.41Å
117E96.8Very high95.4Very high49 Ų4944.7 Ų44.723%0.22923%0.226CC..EExtended strand (participates in β ladder)trans-49.2143.5164.1-179.8-171.4176.100110.4I100 R101 K179I100-E117 HydrophobicContact CD1-CB 3.87Å; I100-E117 HydrophobicContact CD1-CG 4.23Å; I100-E117 WeakPolarHBondContact CD1-O 3.49Å; I100-E117 HydrophobicContact CG1-CB 4.22Å; R101-E117 HydrophobicContact CB-CB 4.16Å; R101-E117 PolarHBondContact O-N 2.73Å; E117-K179 VanDerWaalsContact CD-NZ 3.28Å; E117-K179 VanDerWaalsContact OE1-CE 3.27Å; E117-K179 WeakPolarHBondContact OE1-CE 3.48Å; E117-K179 IonicContact OE1-NZ 2.7Å; E117-K179 PolarHBondContact OE1-NZ 3.21Å; E117-K179 IonicContact OE2-NZ 2.65Å; E117-K179 PolarHBondContact OE2-NZ 2.88Å
118R97.1Very high95.6Very high51 Ų5143.9 Ų43.919%0.19222%0.221CC..  trans-133.698.5174.5-169.4169.478.5106.1-0.1111.8V58 A59 L120V58-R118 VanDerWaalsContact O-CD 3.28Å; V58-R118 WeakPolarHBondContact O-CD 3.3Å; V58-R118 PolarHBondContact O-NE 3.37Å; A59-R118 HydrophobicContact CB-CB 4.28Å; A59-R118 HydrophobicContact CB-CG 4.4Å; R118-L120 HydrophobicContact CG-CD2 4.45Å
119P95.3Very high96Very high9 Ų943.4 Ų43.46%0.05822%0.217CC..  trans-63.2145.8172.6-17.730.4000111.6I100 A122 L170 D172 K179I100-P119 HydrophobicContact CD1-CG 4.46Å; P119-A122 HydrophobicContact CB-CB 4.12Å; P119-A122 VanDerWaalsContact O-CB 3.3Å; P119-A122 WeakPolarHBondContact O-CB 3.31Å; P119-L170 HydrophobicContact CG-CD2 3.99Å; P119-D172 HydrophobicContact CB-CB 3.98Å; P119-K179 HydrophobicContact CG-CD 3.59Å
120L94.1Very high96.4Very high75 Ų7539.3 Ų39.339%0.39320%0.204SC..SBendtrans-147.3129.6-178.6-68.2173.1000113.8Q57 R118 R174Q57-L120 HydrophobicContact CB-CD1 3.63Å; Q57-L120 HydrophobicContact CG-CD1 3.63Å; R118-L120 HydrophobicContact CG-CD2 4.45Å; L120-R174 PolarHBondContact O-NE 3.14Å
121P96.3Very high96.9Very high64 Ų6440.4 Ų40.442%0.41621%0.21SC..SBendcis-66.9150.4-11.528.2-34.6000112.2L173P121-L173 HydrophobicContact CB-CB 4.49Å; P121-L173 HydrophobicContact CB-CD1 4.35Å; P121-L173 HydrophobicContact CG-CB 4.13Å; P121-L173 PolarHBondContact O-N 3.12Å
122A96.1Very high97Very high37 Ų3746.8 Ų46.831%0.30624%0.237SC..EExtended strand (participates in β ladder)trans-144.4154.717700000111.3P119 L170 I171P119-A122 HydrophobicContact CB-CB 4.12Å; P119-A122 VanDerWaalsContact O-CB 3.3Å; P119-A122 WeakPolarHBondContact O-CB 3.31Å; A122-L170 HydrophobicContact CB-CD1 4.02Å; A122-L170 HydrophobicContact CB-CD2 3.94Å; A122-L170 HydrophobicContact CB-CG 3.94Å; A122-I171 WeakPolarHBondContact CA-O 3.44Å; A122-I171 WeakPolarHBondContact CB-O 3.45Å
123Q96.4Very high97Very high32 Ų3248 Ų4815%0.1525%0.249CC..EExtended strand (participates in β ladder)trans-147.7142.6179.6-174.2176.319.300107.6D127 E131 I171 L173Q123-D127 HydrophobicContact CG-CB 3.84Å; Q123-E131 PolarHBondContact NE2-OE1 3.48Å; Q123-E131 PolarHBondContact NE2-OE2 3.39Å; Q123-I171 PolarHBondContact N-O 2.67Å; Q123-I171 PolarHBondContact O-N 2.72Å; Q123-L173 HydrophobicContact CB-CD1 4.09Å; Q123-L173 HydrophobicContact CB-CG 4.46Å
124D97.3Very high96.9Very high45 Ų4550 Ų5024%0.24126%0.264CS..EExtended strand (participates in β ladder)trans-71.7159.3171.75868.1000111.3F126 D127 Y128 I169D124-F126 VanDerWaalsContact C-N 3.27Å; D124-F126 PolarHBondContact O-N 3.39Å; D124-F126 WeakPolarHBondContact OD1-CB 3.44Å; D124-F126 PolarHBondContact OD1-N 3.14Å; D124-D127 WeakPolarHBondContact OD1-CB 3.38Å; D124-D127 PolarHBondContact OD1-N 2.81Å; D124-Y128 WeakPolarHBondContact O-CB 3.37Å; D124-Y128 PolarHBondContact O-N 2.89Å; D124-Y128 VanDerWaalsContact O-N 3.07Å; D124-I169 CarbonylContact C-O 3.54Å; D124-I169 WeakPolarHBondContact CA-O 3.41Å
125L98.3Very high96.9Very high0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-69.4-29.2-174.6-178.367.1000111.7Y128 I129 L135 F143 D166 I169 I171 L227 M231L125-Y128 HydrophobicContact CD1-CD1 4.35Å; L125-Y128 PolarHBondContact O-N 2.86Å; L125-I129 HydrophobicContact CD1-CD1 4.11Å; L125-I129 HydrophobicContact CD1-CG1 4.13Å; L125-I129 HydrophobicContact CD2-CD1 4.33Å; L125-I129 HydrophobicContact CG-CD1 3.78Å; L125-I129 HydrophobicContact CG-CG1 4.23Å; L125-I129 WeakPolarHBondContact O-CB 3.42Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.48Å; L125-I129 PolarHBondContact O-N 3.01Å; L125-L135 HydrophobicContact CD1-CD1 3.8Å; L125-F143 HydrophobicContact CD1-CD2 4.37Å; L125-D166 HydrophobicContact CB-CB 4.07Å; L125-D166 WeakPolarHBondContact CB-O 3.5Å; L125-D166 HydrophobicContact CD2-CB 4.04Å; L125-D166 HydrophobicContact CG-CB 4.02Å; L125-D166 PolarHBondContact N-O 3.38Å; L125-I169 HydrophobicContact CB-CB 3.97Å; L125-I169 HydrophobicContact CB-CG2 4.28Å; L125-I169 HydrophobicContact CD2-CB 4.22Å; L125-I169 HydrophobicContact CD2-CG2 4.34Å; L125-I169 PolarHBondContact N-O 3.29Å; L125-I171 HydrophobicContact CB-CD1 4.41Å; L125-I171 HydrophobicContact CD1-CD1 3.65Å; L125-I171 HydrophobicContact CD1-CG1 4.44Å; L125-L227 HydrophobicContact CD2-CD1 3.92Å; L125-M231 HydrophobicContact CD2-CE 3.32Å; L125-M231 HydrophobicContact CD2-CG 4.11Å
126F97.9Very high96.7Very high90 Ų9052.6 Ų52.640%0.39529%0.285SS..Hα-helixtrans-60.6-54.2175.4174.5-87.4000111.1D124 Y128 I129 T130 D166 E167D124-F126 VanDerWaalsContact C-N 3.27Å; D124-F126 PolarHBondContact O-N 3.39Å; D124-F126 WeakPolarHBondContact OD1-CB 3.44Å; D124-F126 PolarHBondContact OD1-N 3.14Å; F126-Y128 VanDerWaalsContact C-N 3.26Å; F126-Y128 PolarHBondContact O-N 3.48Å; F126-I129 PolarHBondContact O-N 2.71Å; F126-T130 WeakPolarHBondContact O-CB 3.33Å; F126-T130 PolarHBondContact O-N 3.03Å; F126-T130 PolarHBondContact O-OG1 2.99Å; F126-D166 WeakPolarHBondContact CA-OD2 3.35Å; F126-D166 HydrophobicContact CB-CB 4.33Å; F126-D166 WeakPolarHBondContact CB-OD2 3.43Å; F126-D166 WeakPolarHBondContact CD2-OD2 3.48Å; F126-E167 HydrophobicContact CB-CG 3.93Å; F126-E167 HydrophobicContact CD2-CG 4.19Å; F126-E167 HydrophobicContact CG-CG 4.1Å
127D97.6Very high96.7Very high73 Ų7353.4 Ų53.439%0.3929%0.289SS..Hα-helixtrans-62.8-37.7177-82.6-11.1000110.6Q123 D124 T130 E131Q123-D127 HydrophobicContact CG-CB 3.84Å; D124-D127 WeakPolarHBondContact OD1-CB 3.38Å; D124-D127 PolarHBondContact OD1-N 2.81Å; D127-T130 PolarHBondContact O-N 3.03Å; D127-E131 WeakPolarHBondContact O-CB 3.36Å; D127-E131 WeakPolarHBondContact O-CG 3.35Å; D127-E131 PolarHBondContact O-N 3.49Å
128Y97.7Very high96.7Very high52 Ų5253 Ų5320%0.20430%0.298CS..Hα-helixtrans-63.3-44.2178-169.1-96000112.6D124 L125 F126 K132 L135 F143 I171 L173D124-Y128 WeakPolarHBondContact O-CB 3.37Å; D124-Y128 PolarHBondContact O-N 2.89Å; D124-Y128 VanDerWaalsContact O-N 3.07Å; L125-Y128 HydrophobicContact CD1-CD1 4.35Å; L125-Y128 PolarHBondContact O-N 2.86Å; F126-Y128 VanDerWaalsContact C-N 3.26Å; F126-Y128 PolarHBondContact O-N 3.48Å; Y128-K132 HydrophobicContact CD1-CG 4.44Å; Y128-K132 HydrophobicContact CE1-CG 4.24Å; Y128-K132 HydrophobicContact CE2-CG 4.49Å; Y128-K132 VanDerWaalsContact O-CB 3.29Å; Y128-K132 WeakPolarHBondContact O-CB 3.32Å; Y128-K132 WeakPolarHBondContact O-CG 3.33Å; Y128-K132 PolarHBondContact O-N 3.09Å; Y128-K132 VanDerWaalsContact O-N 3.07Å; Y128-L135 HydrophobicContact CD1-CD1 4.17Å; Y128-L135 HydrophobicContact CD1-CD2 3.61Å; Y128-L135 HydrophobicContact CE1-CD1 4.28Å; Y128-L135 HydrophobicContact CE1-CD2 3.62Å; Y128-F143 HydrophobicContact CE1-CE2 4.11Å; Y128-I171 HydrophobicContact CD1-CD1 3.67Å; Y128-I171 HydrophobicContact CD2-CD1 3.92Å; Y128-I171 HydrophobicContact CE1-CD1 4.25Å; Y128-I171 HydrophobicContact CE2-CD1 4.46Å; Y128-I171 HydrophobicContact CG-CD1 3.49Å; Y128-I171 VanDerWaalsContact CG-CD1 3.49Å; Y128-L173 HydrophobicContact CD2-CD2 4.14Å; Y128-L173 HydrophobicContact CE2-CD2 3.99Å
129I98.1Very high96.7Very high7 Ų753.6 Ų53.64%0.03631%0.308CS..Hα-helixtrans-68-43.5174.8-69.2169.2000110.1L125 F126 E131 K132 G133 L135 D166 D230 M231L125-I129 HydrophobicContact CD1-CD1 4.11Å; L125-I129 HydrophobicContact CD1-CG1 4.13Å; L125-I129 HydrophobicContact CD2-CD1 4.33Å; L125-I129 HydrophobicContact CG-CD1 3.78Å; L125-I129 HydrophobicContact CG-CG1 4.23Å; L125-I129 WeakPolarHBondContact O-CB 3.42Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.48Å; L125-I129 PolarHBondContact O-N 3.01Å; F126-I129 PolarHBondContact O-N 2.71Å; I129-E131 VanDerWaalsContact C-N 3.27Å; I129-E131 PolarHBondContact O-N 3.2Å; I129-K132 PolarHBondContact O-N 3.31Å; I129-G133 VanDerWaalsContact O-CA 3.26Å; I129-G133 WeakPolarHBondContact O-CA 3.43Å; I129-G133 PolarHBondContact O-N 3.01Å; I129-L135 HydrophobicContact CD1-CD1 4.42Å; I129-L135 HydrophobicContact CG1-CD1 3.91Å; I129-L135 HydrophobicContact CG1-CD2 3.93Å; I129-L135 HydrophobicContact CG1-CG 3.91Å; I129-D166 HydrophobicContact CD1-CB 4.46Å; I129-D230 WeakPolarHBondContact CD1-OD2 3.35Å; I129-M231 HydrophobicContact CD1-CG 4.31Å
130T97.6Very high96.8Very high94 Ų9453.1 Ų53.158%0.57731%0.306SS*.Hα-helixtrans-56.8-40.8177.9-63.30000111.9F126 D127F126-T130 WeakPolarHBondContact O-CB 3.33Å; F126-T130 PolarHBondContact O-N 3.03Å; F126-T130 PolarHBondContact O-OG1 2.99Å; D127-T130 PolarHBondContact O-N 3.03Å
131E96.9Very high97Very high134 Ų13451.1 Ų51.163%0.62629%0.293SS*.Hα-helixtrans-78.7-35.2179.6-73.3179.4177.500114Q123 D127 I129Q123-E131 PolarHBondContact NE2-OE1 3.48Å; Q123-E131 PolarHBondContact NE2-OE2 3.39Å; D127-E131 WeakPolarHBondContact O-CB 3.36Å; D127-E131 WeakPolarHBondContact O-CG 3.35Å; D127-E131 PolarHBondContact O-N 3.49Å; I129-E131 VanDerWaalsContact C-N 3.27Å; I129-E131 PolarHBondContact O-N 3.2Å
132K95.5Very high97Very high135 Ų13551.4 Ų51.459%0.58730%0.296SS*.Hα-helixtrans-95.1-19.5-173.7-62.6-63-179.4-171.40113.7Y128 I129 L135Y128-K132 HydrophobicContact CD1-CG 4.44Å; Y128-K132 HydrophobicContact CE1-CG 4.24Å; Y128-K132 HydrophobicContact CE2-CG 4.49Å; Y128-K132 VanDerWaalsContact O-CB 3.29Å; Y128-K132 WeakPolarHBondContact O-CB 3.32Å; Y128-K132 WeakPolarHBondContact O-CG 3.33Å; Y128-K132 PolarHBondContact O-N 3.09Å; Y128-K132 VanDerWaalsContact O-N 3.07Å; I129-K132 PolarHBondContact O-N 3.31Å; K132-L135 HydrophobicContact CB-CD2 4.12Å
133G96.8Very high97.1Very high25 Ų2550.4 Ų50.426%0.25828%0.284SS..SBendtrans70.5-160.8-159.500000111.6I129 L135I129-G133 VanDerWaalsContact O-CA 3.26Å; I129-G133 WeakPolarHBondContact O-CA 3.43Å; I129-G133 PolarHBondContact O-N 3.01Å; G133-L135 PolarHBondContact O-N 3.34Å
134P96.4Very high97.2Very high59 Ų5948.9 Ų48.938%0.38328%0.277SS..SBendtrans-55.3133.2177.8-20.429.9000111.9G136 V232 C233P134-G136 VanDerWaalsContact C-N 3.28Å; P134-G136 PolarHBondContact O-N 2.98Å; P134-V232 WeakPolarHBondContact CB-O 3.21Å; P134-C233 WeakPolarHBondContact CG-O 3.29Å
135L96.1Very high97.3Very high21 Ų2147.4 Ų47.411%0.1127%0.273CS..  trans-77.7-11.2-166.5-54.7-175.6000114.6L125 Y128 I129 K132 G133 P139 F143 M231L125-L135 HydrophobicContact CD1-CD1 3.8Å; Y128-L135 HydrophobicContact CD1-CD1 4.17Å; Y128-L135 HydrophobicContact CD1-CD2 3.61Å; Y128-L135 HydrophobicContact CE1-CD1 4.28Å; Y128-L135 HydrophobicContact CE1-CD2 3.62Å; I129-L135 HydrophobicContact CD1-CD1 4.42Å; I129-L135 HydrophobicContact CG1-CD1 3.91Å; I129-L135 HydrophobicContact CG1-CD2 3.93Å; I129-L135 HydrophobicContact CG1-CG 3.91Å; K132-L135 HydrophobicContact CB-CD2 4.12Å; G133-L135 PolarHBondContact O-N 3.34Å; L135-P139 HydrophobicContact CB-CB 4.3Å; L135-P139 WeakPolarHBondContact O-CG 3.3Å; L135-F143 HydrophobicContact CD1-CD2 4.15Å; L135-F143 HydrophobicContact CD1-CE2 4.38Å; L135-M231 HydrophobicContact CD1-CB 4.4Å; L135-M231 HydrophobicContact CD1-CG 4.39Å; L135-M231 PolarHBondContact N-O 2.7Å
136G95.6Very high97.3Very high34 Ų3449 Ų4935%0.35128%0.28SS..  trans72.5156.1-168.200000112.4P134 G138 P139 S140P134-G136 VanDerWaalsContact C-N 3.28Å; P134-G136 PolarHBondContact O-N 2.98Å; G136-G138 PolarHBondContact O-N 3.46Å; G136-P139 WeakPolarHBondContact O-CD 3.46Å; G136-S140 WeakPolarHBondContact O-CB 3.45Å; G136-S140 PolarHBondContact O-N 2.93Å; G136-S140 VanDerWaalsContact O-N 3.07Å; G136-S140 PolarHBondContact O-OG 2.97Å
137E97.4Very high97.4Very high35 Ų3544.9 Ų44.916%0.16426%0.263CS..Hα-helixtrans-68.9-31.5-166.6-67.2-171-166.400115R141 V232 S256 W285E137-R141 WeakPolarHBondContact O-CB 3.41Å; E137-R141 PolarHBondContact O-N 3.31Å; E137-V232 HydrophobicContact CG-CG1 4.38Å; E137-S256 WeakPolarHBondContact OE1-CA 3.34Å; E137-S256 WeakPolarHBondContact OE1-CB 3.42Å; E137-S256 PolarHBondContact OE1-N 3.25Å; E137-S256 PolarHBondContact OE1-OG 3.29Å; E137-S256 WeakPolarHBondContact OE2-CB 3.37Å; E137-S256 PolarHBondContact OE2-OG 2.73Å; E137-W285 HydrophobicContact CB-CZ2 3.94Å; E137-W285 HydrophobicContact CG-CZ2 4.22Å; E137-W285 PolarHBondContact OE2-NE1 2.82Å
138G96.5Very high97.4Very high42 Ų4241.4 Ų41.443%0.43324%0.244SC..Hα-helixtrans-61.2-58.3177.800000112.3G136 R141 C142G136-G138 PolarHBondContact O-N 3.46Å; G138-R141 PolarHBondContact O-N 2.83Å; G138-C142 PolarHBondContact O-N 3.42Å; G138-C142 VanDerWaalsContact O-N 3.12Å
139P96.1Very high97.5Very high62 Ų6240.2 Ų40.240%0.40325%0.245SC..Hα-helixtrans-58.3-44.6173.3-28.137.6000113.3L135 G136 R141 C142 F143L135-P139 HydrophobicContact CB-CB 4.3Å; L135-P139 WeakPolarHBondContact O-CG 3.3Å; G136-P139 WeakPolarHBondContact O-CD 3.46Å; P139-R141 VanDerWaalsContact C-N 3.34Å; P139-R141 PolarHBondContact O-N 3.34Å; P139-C142 WeakPolarHBondContact O-CB 3.49Å; P139-C142 PolarHBondContact O-N 3.28Å; P139-C142 VanDerWaalsContact O-N 3.16Å; P139-F143 PolarHBondContact O-N 3.18Å
140S98.3Very high97.5Very high0 Ų040 Ų400%024%0.244CC..Hα-helixtrans-58.6-44.7177.7-58.80000111.7G136 C142 F143 F144 M231G136-S140 WeakPolarHBondContact O-CB 3.45Å; G136-S140 PolarHBondContact O-N 2.93Å; G136-S140 VanDerWaalsContact O-N 3.07Å; G136-S140 PolarHBondContact O-OG 2.97Å; S140-C142 VanDerWaalsContact C-N 3.32Å; S140-C142 PolarHBondContact O-N 3.11Å; S140-F143 PolarHBondContact O-N 3Å; S140-F144 WeakPolarHBondContact O-CB 3.38Å; S140-F144 PolarHBondContact O-N 3.19Å; S140-M231 WeakPolarHBondContact OG-CB 3.38Å; S140-M231 PolarHBondContact OG-O 3.2Å
141R98Very high97.5Very high32 Ų3235.6 Ų35.612%0.12122%0.217CC..Hα-helixtrans-60.8-42176.9-170.4-172-5414210.3111.8E137 G138 P139 G145 W285 M286 T288 P289E137-R141 WeakPolarHBondContact O-CB 3.41Å; E137-R141 PolarHBondContact O-N 3.31Å; G138-R141 PolarHBondContact O-N 2.83Å; P139-R141 VanDerWaalsContact C-N 3.34Å; P139-R141 PolarHBondContact O-N 3.34Å; R141-G145 PolarHBondContact O-N 3.11Å; R141-W285 VanDerWaalsContact CA-CH2 3.44Å; R141-W285 HydrophobicContact CB-CH2 3.63Å; R141-W285 HydrophobicContact CB-CZ2 3.96Å; R141-W285 HydrophobicContact CB-CZ3 3.99Å; R141-W285 WeakPolarHBondContact CD-O 3.45Å; R141-W285 HydrophobicContact CG-CE3 4.33Å; R141-W285 HydrophobicContact CG-CH2 4.21Å; R141-W285 HydrophobicContact CG-CZ3 4.07Å; R141-W285 PolarHBondContact NE-O 3.31Å; R141-M286 HydrophobicContact CG-CE 4.32Å; R141-M286 HydrophobicContact CG-SD 3.73Å; R141-T288 VanDerWaalsContact CZ-CB 3.49Å; R141-T288 PolarHBondContact NH1-O 3.47Å; R141-P289 PolarHBondContact NH1-O 2.88Å
142C96.9Very high97.6Very high71 Ų7132.2 Ų32.248%0.4820%0.201SC..Hα-helixtrans-63.9-49.8178.7-172.20000111.9G138 P139 S140 Q146G138-C142 PolarHBondContact O-N 3.42Å; G138-C142 VanDerWaalsContact O-N 3.12Å; P139-C142 WeakPolarHBondContact O-CB 3.49Å; P139-C142 PolarHBondContact O-N 3.28Å; P139-C142 VanDerWaalsContact O-N 3.16Å; S140-C142 VanDerWaalsContact C-N 3.32Å; S140-C142 PolarHBondContact O-N 3.11Å; C142-Q146 WeakPolarHBondContact O-CG 3.21Å; C142-Q146 PolarHBondContact O-N 2.83Å; C142-Q146 PolarHBondContact O-NE2 3.07Å; C142-Q146 PolarHBondContact SG-NE2 3.03Å; C142-Q146 VanDerWaalsContact SG-NE2 3.42Å
143F98.4Very high97.8Very high15 Ų1527.2 Ų27.27%0.06618%0.18CC..Hα-helixtrans-68.4-45.1178.6-66.6-38.3000111.8L125 Y128 L135 P139 S140 G145 Q146 V147 I171 A178 M231L125-F143 HydrophobicContact CD1-CD2 4.37Å; Y128-F143 HydrophobicContact CE1-CE2 4.11Å; L135-F143 HydrophobicContact CD1-CD2 4.15Å; L135-F143 HydrophobicContact CD1-CE2 4.38Å; P139-F143 PolarHBondContact O-N 3.18Å; S140-F143 PolarHBondContact O-N 3Å; F143-G145 VanDerWaalsContact C-N 3.35Å; F143-G145 PolarHBondContact O-N 3.35Å; F143-Q146 WeakPolarHBondContact O-CB 3.49Å; F143-Q146 PolarHBondContact O-N 3.2Å; F143-Q146 VanDerWaalsContact O-N 3.14Å; F143-V147 WeakPolarHBondContact O-CG2 3.33Å; F143-V147 PolarHBondContact O-N 3.35Å; F143-I171 HydrophobicContact CE1-CG1 4.48Å; F143-I171 HydrophobicContact CE1-CG2 4.04Å; F143-I171 HydrophobicContact CE2-CD1 4Å; F143-I171 HydrophobicContact CZ-CD1 4.02Å; F143-I171 HydrophobicContact CZ-CG1 4.32Å; F143-I171 HydrophobicContact CZ-CG2 3.96Å; F143-A178 HydrophobicContact CD1-CB 4.2Å; F143-M231 HydrophobicContact CB-CE 4.13Å; F143-M231 HydrophobicContact CB-SD 4.5Å
144F98.8Very high97.9Very high0 Ų026 Ų260%017%0.168CC..Hα-helixtrans-59-44.4179.1-171.9-112.3000112S140 Q146 V147 V148 L224 L228 M231 L262 I280 W285 M286S140-F144 WeakPolarHBondContact O-CB 3.38Å; S140-F144 PolarHBondContact O-N 3.19Å; F144-Q146 VanDerWaalsContact C-N 3.33Å; F144-Q146 PolarHBondContact O-N 3.28Å; F144-V147 PolarHBondContact O-N 3.44Å; F144-V148 HydrophobicContact CD1-CG2 4.15Å; F144-V148 HydrophobicContact CD2-CG2 4.47Å; F144-V148 HydrophobicContact CE1-CG2 3.87Å; F144-V148 HydrophobicContact CE2-CG2 4.18Å; F144-V148 HydrophobicContact CG-CG2 4.45Å; F144-V148 HydrophobicContact CZ-CG2 3.88Å; F144-V148 VanDerWaalsContact O-CG2 3.29Å; F144-V148 WeakPolarHBondContact O-CG2 3.13Å; F144-V148 PolarHBondContact O-N 3.05Å; F144-L224 HydrophobicContact CD2-CD2 4.32Å; F144-L224 HydrophobicContact CE2-CB 3.93Å; F144-L224 HydrophobicContact CE2-CD2 3.6Å; F144-L224 HydrophobicContact CE2-CG 4.37Å; F144-L224 VanDerWaalsContact CE2-O 3.28Å; F144-L224 WeakPolarHBondContact CE2-O 3.02Å; F144-L224 HydrophobicContact CZ-CB 4.09Å; F144-L224 HydrophobicContact CZ-CD2 4.21Å; F144-L228 HydrophobicContact CB-CD1 4.3Å; F144-L228 HydrophobicContact CD1-CD1 4.34Å; F144-L228 HydrophobicContact CD1-CD2 4.22Å; F144-L228 HydrophobicContact CD2-CB 3.92Å; F144-L228 HydrophobicContact CD2-CD1 4.31Å; F144-L228 HydrophobicContact CE1-CD2 3.95Å; F144-L228 HydrophobicContact CE2-CB 3.73Å; F144-L228 HydrophobicContact CG-CB 4.46Å; F144-L228 HydrophobicContact CG-CD1 4.07Å; F144-L228 HydrophobicContact CZ-CB 4.1Å; F144-L228 HydrophobicContact CZ-CD2 4.12Å; F144-M231 HydrophobicContact CB-SD 4.18Å; F144-L262 HydrophobicContact CE1-CD2 4.24Å; F144-I280 HydrophobicContact CE1-CG2 3.53Å; F144-I280 HydrophobicContact CZ-CG2 4.07Å; F144-W285 HydrophobicContact CD1-CZ3 4.21Å; F144-M286 HydrophobicContact CD1-CE 4.25Å; F144-M286 HydrophobicContact CD1-SD 3.84Å
145G98.5Very high97.9Very high15 Ų1524.5 Ų24.516%0.15516%0.156CC..Hα-helixtrans-60.1-40.4175.300000113.4R141 F143 A149R141-G145 PolarHBondContact O-N 3.11Å; F143-G145 VanDerWaalsContact C-N 3.35Å; F143-G145 PolarHBondContact O-N 3.35Å; G145-A149 WeakPolarHBondContact O-CB 3.29Å; G145-A149 PolarHBondContact O-N 3.16Å
146Q98.6Very high98Very high33 Ų3327.6 Ų27.615%0.15418%0.184CC..Hα-helixtrans-65.4-40.7175.5-69.6178.157.800112.1C142 F143 F144 A150 G176 A178C142-Q146 WeakPolarHBondContact O-CG 3.21Å; C142-Q146 PolarHBondContact O-N 2.83Å; C142-Q146 PolarHBondContact O-NE2 3.07Å; C142-Q146 PolarHBondContact SG-NE2 3.03Å; C142-Q146 VanDerWaalsContact SG-NE2 3.42Å; F143-Q146 WeakPolarHBondContact O-CB 3.49Å; F143-Q146 PolarHBondContact O-N 3.2Å; F143-Q146 VanDerWaalsContact O-N 3.14Å; F144-Q146 VanDerWaalsContact C-N 3.33Å; F144-Q146 PolarHBondContact O-N 3.28Å; Q146-A150 WeakPolarHBondContact O-CB 3.29Å; Q146-A150 PolarHBondContact O-N 3.38Å; Q146-G176 PolarHBondContact NE2-O 2.96Å; Q146-A178 HydrophobicContact CB-CB 4.14Å
147V98.9Very high98.1Very high4 Ų429.6 Ų29.62%0.02418%0.181CC..Hα-helixtrans-65.7-46177.1174.80000110.9F143 F144 A149 A150 I151 I169 A178 L224 L227F143-V147 WeakPolarHBondContact O-CG2 3.33Å; F143-V147 PolarHBondContact O-N 3.35Å; F144-V147 PolarHBondContact O-N 3.44Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 3.28Å; V147-A150 WeakPolarHBondContact O-CB 3.45Å; V147-A150 PolarHBondContact O-N 3.07Å; V147-I151 HydrophobicContact CG1-CD1 3.82Å; V147-I151 WeakPolarHBondContact O-CG1 3.32Å; V147-I151 PolarHBondContact O-N 2.91Å; V147-I169 HydrophobicContact CG1-CD1 4.03Å; V147-I169 HydrophobicContact CG2-CD1 3.76Å; V147-I169 HydrophobicContact CG2-CG1 4.12Å; V147-I169 HydrophobicContact CG2-CG2 4.09Å; V147-A178 HydrophobicContact CG2-CB 4.19Å; V147-L224 HydrophobicContact CG1-CD2 3.98Å; V147-L227 HydrophobicContact CG1-CD2 4.02Å
148V98.8Very high98.1Very high0 Ų029 Ų290%019%0.185CC..Hα-helixtrans-60.5-43.5177.5175.80000111F144 A150 I151 Q152 L224 L277 I280 L281F144-V148 HydrophobicContact CD1-CG2 4.15Å; F144-V148 HydrophobicContact CD2-CG2 4.47Å; F144-V148 HydrophobicContact CE1-CG2 3.87Å; F144-V148 HydrophobicContact CE2-CG2 4.18Å; F144-V148 HydrophobicContact CG-CG2 4.45Å; F144-V148 HydrophobicContact CZ-CG2 3.88Å; F144-V148 VanDerWaalsContact O-CG2 3.29Å; F144-V148 WeakPolarHBondContact O-CG2 3.13Å; F144-V148 PolarHBondContact O-N 3.05Å; V148-A150 PolarHBondContact O-N 3.38Å; V148-I151 PolarHBondContact O-N 3.38Å; V148-Q152 WeakPolarHBondContact O-CG 3.2Å; V148-Q152 PolarHBondContact O-N 2.94Å; V148-L224 HydrophobicContact CG2-CD1 4.15Å; V148-L224 HydrophobicContact CG2-CD2 3.97Å; V148-L277 HydrophobicContact CG1-CB 4.23Å; V148-L277 HydrophobicContact CG1-CD2 4.36Å; V148-I280 HydrophobicContact CG1-CG2 4.33Å; V148-I280 HydrophobicContact CG2-CG2 3.97Å; V148-L281 HydrophobicContact CB-CD2 3.95Å; V148-L281 HydrophobicContact CB-CG 4.43Å; V148-L281 HydrophobicContact CG1-CD1 4.18Å; V148-L281 HydrophobicContact CG1-CD2 3.77Å; V148-L281 HydrophobicContact CG1-CG 3.69Å
149A98.6Very high98.2Very high27 Ų2727 Ų2722%0.22316%0.164CC..Hα-helixtrans-62.8-40.9175.800000112.7G145 V147 I151 Q152 H153G145-A149 WeakPolarHBondContact O-CB 3.29Å; G145-A149 PolarHBondContact O-N 3.16Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 3.28Å; A149-I151 VanDerWaalsContact C-N 3.34Å; A149-I151 PolarHBondContact O-N 2.84Å; A149-Q152 PolarHBondContact O-N 3.33Å; A149-H153 PolarHBondContact O-N 3.33Å; A149-H153 VanDerWaalsContact O-N 3.09Å
150A98.7Very high98.3Very high1 Ų124.1 Ų24.11%0.00815%0.145CC..Hα-helixtrans-62.8-40175.300000112.3G98 V99 Q146 V147 V148 H153 C154G98-A150 VanDerWaalsContact O-CB 3.28Å; G98-A150 WeakPolarHBondContact O-CB 3.27Å; V99-A150 HydrophobicContact CG2-CB 3.93Å; Q146-A150 WeakPolarHBondContact O-CB 3.29Å; Q146-A150 PolarHBondContact O-N 3.38Å; V147-A150 WeakPolarHBondContact O-CB 3.45Å; V147-A150 PolarHBondContact O-N 3.07Å; V148-A150 PolarHBondContact O-N 3.38Å; A150-H153 WeakPolarHBondContact O-CB 3.35Å; A150-H153 PolarHBondContact O-N 2.85Å; A150-C154 PolarHBondContact O-N 3.07Å; A150-C154 PolarHBondContact O-SG 3.33Å
151I98.8Very high98.3Very high3 Ų324.4 Ų24.42%0.01515%0.146CC..Hα-helixtrans-68.7-41.4177-69.1166.1000111.4V147 V148 A149 H153 C154 H155 I164 L180 T220 L224 L277V147-I151 HydrophobicContact CG1-CD1 3.82Å; V147-I151 WeakPolarHBondContact O-CG1 3.32Å; V147-I151 PolarHBondContact O-N 2.91Å; V148-I151 PolarHBondContact O-N 3.38Å; A149-I151 VanDerWaalsContact C-N 3.34Å; A149-I151 PolarHBondContact O-N 2.84Å; I151-H153 PolarHBondContact O-N 3.43Å; I151-C154 WeakPolarHBondContact O-CB 3.48Å; I151-C154 PolarHBondContact O-N 3.16Å; I151-C154 VanDerWaalsContact O-N 3.11Å; I151-H155 PolarHBondContact O-CD2 3Å; I151-H155 PolarHBondContact O-N 3.02Å; I151-I164 HydrophobicContact CD1-CD1 3.71Å; I151-I164 HydrophobicContact CD1-CG1 3.9Å; I151-I164 HydrophobicContact CD1-CG2 4.29Å; I151-I164 HydrophobicContact CG1-CD1 3.92Å; I151-L180 HydrophobicContact CG1-CD2 4.4Å; I151-T220 HydrophobicContact CD1-CG2 4.3Å; I151-T220 HydrophobicContact CG2-CG2 3.52Å; I151-L224 HydrophobicContact CD1-CD1 3.97Å; I151-L224 HydrophobicContact CD1-CD2 3.68Å; I151-L224 HydrophobicContact CD1-CG 3.97Å; I151-L277 HydrophobicContact CG2-CD1 3.81Å; I151-L277 HydrophobicContact CG2-CD2 4.28Å
152Q98.5Very high98.3Very high63 Ų6324 Ų2429%0.29415%0.145SC..Hα-helixtrans-55.3-43.5172.9-77.7-177.8-39.600111V148 A149 H155 A156 L277V148-Q152 WeakPolarHBondContact O-CG 3.2Å; V148-Q152 PolarHBondContact O-N 2.94Å; A149-Q152 PolarHBondContact O-N 3.33Å; Q152-H155 PolarHBondContact O-N 3.45Å; Q152-A156 WeakPolarHBondContact O-CB 3.29Å; Q152-A156 PolarHBondContact O-N 2.81Å; Q152-L277 HydrophobicContact CB-CD1 4.39Å; Q152-L277 HydrophobicContact CG-CB 3.52Å; Q152-L277 HydrophobicContact CG-CD1 3.61Å; Q152-L277 HydrophobicContact CG-CG 4.19Å
153H98.5Very high98.4Very high29 Ų2920.7 Ų20.713%0.13412%0.122CC..Hα-helixtrans-61.1-46.9174174.485.4000112.4V90 H96 A149 A150 I151 H155 A156 R157V90-H153 PolarHBondContact O-NE2 3.41Å; H96-H153 HydrophobicContact CB-CB 3.91Å; H96-H153 VanDerWaalsContact CB-CD2 3.43Å; H96-H153 WeakPolarHBondContact CB-CD2 3.14Å; H96-H153 VanDerWaalsContact CB-CG 3.44Å; A149-H153 PolarHBondContact O-N 3.33Å; A149-H153 VanDerWaalsContact O-N 3.09Å; A150-H153 WeakPolarHBondContact O-CB 3.35Å; A150-H153 PolarHBondContact O-N 2.85Å; I151-H153 PolarHBondContact O-N 3.43Å; H153-H155 PolarHBondContact O-N 3.01Å; H153-A156 PolarHBondContact O-N 2.99Å; H153-R157 WeakPolarHBondContact O-CG 3.36Å; H153-R157 PolarHBondContact O-N 3.12Å; H153-R157 VanDerWaalsContact O-N 3.11Å
154C98.7Very high98.4Very high1 Ų120 Ų201%0.00712%0.12CC..Hα-helixtrans-56.2-48.6176.3-67.80000111.8V90 A150 I151 A156 R157 G158 V159V90-C154 HydrophobicContact CG1-CB 4.27Å; A150-C154 PolarHBondContact O-N 3.07Å; A150-C154 PolarHBondContact O-SG 3.33Å; I151-C154 WeakPolarHBondContact O-CB 3.48Å; I151-C154 PolarHBondContact O-N 3.16Å; I151-C154 VanDerWaalsContact O-N 3.11Å; C154-A156 PolarHBondContact O-N 3.38Å; C154-R157 CarbonylContact O-C 3.46Å; C154-R157 WeakPolarHBondContact O-CA 3.28Å; C154-R157 PolarHBondContact O-N 2.83Å; C154-G158 PolarHBondContact O-N 3.4Å; C154-V159 CarbonylContact C-O 3.47Å; C154-V159 PolarHBondContact O-N 2.79Å; C154-V159 VanDerWaalsContact O-O 3.07Å
155H98.1Very high98.4Very high27 Ų2720.9 Ų20.913%0.12512%0.123CC..Hα-helixtrans-63.3-41.5179.2-77.7-149.3000111.7I151 Q152 H153 R157 G158 V159 L189I151-H155 PolarHBondContact O-CD2 3Å; I151-H155 PolarHBondContact O-N 3.02Å; Q152-H155 PolarHBondContact O-N 3.45Å; H153-H155 PolarHBondContact O-N 3.01Å; H155-R157 PolarHBondContact O-N 3.4Å; H155-R157 VanDerWaalsContact O-N 3.16Å; H155-G158 PolarHBondContact O-N 3.1Å; H155-V159 PolarHBondContact CD2-O 3.32Å; H155-V159 PolarHBondContact N-O 2.96Å; H155-L189 HydrophobicContact CB-CD2 4.22Å
156A97.6Very high98.3Very high86 Ų8620.7 Ų20.771%0.71112%0.118SC*.Hα-helixtrans-62.5-20.9175.200000112.9Q152 H153 C154Q152-A156 WeakPolarHBondContact O-CB 3.29Å; Q152-A156 PolarHBondContact O-N 2.81Å; H153-A156 PolarHBondContact O-N 2.99Å; C154-A156 PolarHBondContact O-N 3.38Å
157R97.8Very high98.3Very high76 Ų7623.5 Ų23.529%0.28713%0.132SC..THydrogen-bonded Turntrans-959.3173.2-62-57.7-172.980.1-0.6113.9K89 V90 A92 H153 C154 H155 V159K89-R157 PolarHBondContact O-NH1 3.09Å; V90-R157 HydrophobicContact CG1-CB 4.4Å; A92-R157 VanDerWaalsContact C-NH1 3.35Å; A92-R157 PolarHBondContact O-NH1 3.27Å; A92-R157 PolarHBondContact O-NH2 2.82Å; H153-R157 WeakPolarHBondContact O-CG 3.36Å; H153-R157 PolarHBondContact O-N 3.12Å; H153-R157 VanDerWaalsContact O-N 3.11Å; C154-R157 CarbonylContact O-C 3.46Å; C154-R157 WeakPolarHBondContact O-CA 3.28Å; C154-R157 PolarHBondContact O-N 2.83Å; H155-R157 PolarHBondContact O-N 3.4Å; H155-R157 VanDerWaalsContact O-N 3.16Å; R157-V159 VanDerWaalsContact C-N 3.34Å
158G97.9Very high98.3Very high23 Ų2323.8 Ų23.824%0.23713%0.133CC..THydrogen-bonded Turntrans68.632.8179.700000112.9C154 H155 L189C154-G158 PolarHBondContact O-N 3.4Å; H155-G158 PolarHBondContact O-N 3.1Å; G158-L189 VanDerWaalsContact C-CB 3.47Å; G158-L189 PolarHBondContact O-N 3.22Å
159V98.6Very high98.3Very high0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-123.4132.9179.41740000109.8L86 K89 V90 C154 H155 R157 F183L86-V159 HydrophobicContact CB-CG1 4.1Å; L86-V159 HydrophobicContact CD2-CG1 4.06Å; L86-V159 HydrophobicContact CD2-CG2 3.95Å; L86-V159 HydrophobicContact CG-CG1 4.43Å; K89-V159 HydrophobicContact CB-CG2 4.02Å; V90-V159 HydrophobicContact CG1-CB 3.79Å; V90-V159 HydrophobicContact CG1-CG1 3.95Å; V90-V159 HydrophobicContact CG1-CG2 3.83Å; C154-V159 CarbonylContact C-O 3.47Å; C154-V159 PolarHBondContact O-N 2.79Å; C154-V159 VanDerWaalsContact O-O 3.07Å; H155-V159 PolarHBondContact CD2-O 3.32Å; H155-V159 PolarHBondContact N-O 2.96Å; R157-V159 VanDerWaalsContact C-N 3.34Å; V159-F183 HydrophobicContact CG1-CD1 3.88Å; V159-F183 HydrophobicContact CG1-CE1 3.83Å
160V98.3Very high98.2Very high1 Ų124 Ų241%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-112.2133.1169.758.40000109.4R162 G186 A187 L189 Y194 A216V160-R162 HydrophobicContact CB-CG 4.37Å; V160-R162 HydrophobicContact CG1-CG 3.91Å; V160-R162 HydrophobicContact CG2-CG 3.75Å; V160-G186 CarbonylContact O-C 3.59Å; V160-G186 WeakPolarHBondContact O-CA 3.44Å; V160-A187 HydrophobicContact CG1-CB 3.83Å; V160-A187 WeakPolarHBondContact CG1-O 3.2Å; V160-A187 PolarHBondContact N-O 2.87Å; V160-A187 PolarHBondContact O-N 3.4Å; V160-L189 HydrophobicContact CB-CD1 4.45Å; V160-Y194 HydrophobicContact CG1-CE1 4.41Å; V160-A216 HydrophobicContact CB-CB 4.21Å; V160-A216 HydrophobicContact CG1-CB 4.49Å; V160-A216 HydrophobicContact CG2-CB 3.86Å
161H98.4Very high98.2Very high5 Ų524.1 Ų24.12%0.02313%0.131CC..  trans-77.1-40-175.3-167-88.8000113.6D163 I164 L180 I181 D182 F183 G186H161-D163 PolarHBondContact CE1-O 3.42Å; H161-D163 PolarHBondContact ND1-N 3.46Å; H161-D163 PolarHBondContact ND1-O 2.95Å; H161-D163 PolarHBondContact O-N 2.85Å; H161-I164 HydrophobicContact CB-CD1 3.68Å; H161-I164 HydrophobicContact CB-CG1 4.26Å; H161-L180 HydrophobicContact CB-CD2 4.32Å; H161-L180 VanDerWaalsContact CD2-CD2 3.43Å; H161-L180 WeakPolarHBondContact CD2-CD2 3.38Å; H161-I181 PolarHBondContact CE1-O 3.49Å; H161-I181 PolarHBondContact NE2-O 3.34Å; H161-D182 PolarHBondContact CE1-O 2.92Å; H161-D182 PolarHBondContact NE2-O 3.42Å; H161-F183 AromaticContact CD2-CD1 3.85Å; H161-F183 AromaticContact CD2-CD2 3.92Å; H161-F183 AromaticContact CD2-CE1 3.78Å; H161-F183 AromaticContact CD2-CE2 3.84Å; H161-F183 AromaticContact CD2-CG 3.93Å; H161-F183 AromaticContact CD2-CZ 3.77Å; H161-F183 AromaticContact NE2-CD2 3.94Å; H161-G186 VanDerWaalsContact O-CA 3.31Å; H161-G186 WeakPolarHBondContact O-CA 3.45Å; H161-G186 PolarHBondContact O-N 3.12Å
162R97.9Very high98.1Very high24 Ų2424.5 Ų24.59%0.09113%0.133CC..SBendtrans62.7-9.6179.4-52.7-161.4-64.51733.9118V160 S185 D196 Y214V160-R162 HydrophobicContact CB-CG 4.37Å; V160-R162 HydrophobicContact CG1-CG 3.91Å; V160-R162 HydrophobicContact CG2-CG 3.75Å; R162-S185 VanDerWaalsContact CZ-O 3.24Å; R162-S185 PolarHBondContact NE-O 3.32Å; R162-S185 PolarHBondContact NH2-O 2.97Å; R162-D196 IonicContact CZ-OD2 2.8Å; R162-D196 PolarHBondContact NH1-O 3.27Å; R162-D196 IonicContact NH1-OD1 3.55Å; R162-D196 IonicContact NH1-OD2 3.31Å; R162-D196 PolarHBondContact NH1-OD2 3.13Å; R162-D196 IonicContact NH2-OD2 2.78Å; R162-D196 PolarHBondContact NH2-OD2 2.92Å; R162-Y214 VanDerWaalsContact CD-OH 3.27Å; R162-Y214 WeakPolarHBondContact CD-OH 3.2Å; R162-Y214 PolarHBondContact NH1-OH 3.29Å
163D97.8Very high97.9Very high2 Ų225 Ų251%0.01114%0.137CC..  trans-130.655.9174.8-162.136000112.1H161 K165 N168 T200H161-D163 PolarHBondContact CE1-O 3.42Å; H161-D163 PolarHBondContact ND1-N 3.46Å; H161-D163 PolarHBondContact ND1-O 2.95Å; H161-D163 PolarHBondContact O-N 2.85Å; D163-K165 PolarHBondContact O-N 3.39Å; D163-K165 VanDerWaalsContact OD2-CE 3.31Å; D163-K165 WeakPolarHBondContact OD2-CE 3.44Å; D163-K165 IonicContact OD2-NZ 2.92Å; D163-N168 PolarHBondContact O-ND2 3.39Å; D163-N168 PolarHBondContact OD2-ND2 3.36Å; D163-T200 VanDerWaalsContact OD1-CB 3.26Å; D163-T200 WeakPolarHBondContact OD1-CB 3.35Å; D163-T200 PolarHBondContact OD1-N 3.22Å; D163-T200 PolarHBondContact OD1-OG1 3.42Å
164I98.5Very high97.7Very high1 Ų132.7 Ų32.71%0.00517%0.165CC..  trans-76.4115.1175.5-59.1-61000108.8I151 H161 L180 Y203 L224 L227I151-I164 HydrophobicContact CD1-CD1 3.71Å; I151-I164 HydrophobicContact CD1-CG1 3.9Å; I151-I164 HydrophobicContact CD1-CG2 4.29Å; I151-I164 HydrophobicContact CG1-CD1 3.92Å; H161-I164 HydrophobicContact CB-CD1 3.68Å; H161-I164 HydrophobicContact CB-CG1 4.26Å; I164-L180 HydrophobicContact CD1-CD1 3.57Å; I164-L180 HydrophobicContact CD1-CD2 3.95Å; I164-L180 HydrophobicContact CD1-CG 4.43Å; I164-Y203 WeakPolarHBondContact O-CD1 3.45Å; I164-L224 HydrophobicContact CG2-CD2 4.34Å; I164-L227 HydrophobicContact CG2-CD2 3.9Å
165K98.4Very high97.3Very high18 Ų1841.2 Ų41.28%0.07820%0.197CC..SBendtrans-160.5164.217756.6173.71781730109.8D163 E167 N168 I169 T200 Y203D163-K165 PolarHBondContact O-N 3.39Å; D163-K165 VanDerWaalsContact OD2-CE 3.31Å; D163-K165 WeakPolarHBondContact OD2-CE 3.44Å; D163-K165 IonicContact OD2-NZ 2.92Å; K165-E167 VanDerWaalsContact C-N 3.35Å; K165-E167 HydrophobicContact CD-CB 4.1Å; K165-E167 HydrophobicContact CD-CG 4.43Å; K165-E167 WeakPolarHBondContact CD-OE1 3.3Å; K165-E167 WeakPolarHBondContact CE-OE1 3.44Å; K165-E167 HydrophobicContact CG-CB 4.28Å; K165-E167 IonicContact NZ-OE1 2.72Å; K165-E167 PolarHBondContact NZ-OE1 3.01Å; K165-E167 IonicContact NZ-OE2 3.56Å; K165-E167 PolarHBondContact O-N 2.95Å; K165-N168 HydrophobicContact CG-CB 4.2Å; K165-N168 PolarHBondContact O-N 3.1Å; K165-I169 WeakPolarHBondContact O-CG1 3.38Å; K165-T200 HydrophobicContact CD-CG2 4.36Å; K165-T200 WeakPolarHBondContact CD-OG1 3.39Å; K165-T200 VanDerWaalsContact CE-OG1 3.25Å; K165-T200 WeakPolarHBondContact CE-OG1 3.47Å; K165-T200 PolarHBondContact NZ-OG1 2.88Å; K165-Y203 HydrophobicContact CB-CD1 4.03Å; K165-Y203 HydrophobicContact CB-CD2 3.99Å; K165-Y203 HydrophobicContact CB-CE1 3.64Å; K165-Y203 HydrophobicContact CB-CE2 3.62Å; K165-Y203 HydrophobicContact CB-CG 4.19Å; K165-Y203 VanDerWaalsContact CB-CZ 3.42Å
166D98.3Very high97Very high10 Ų1041.6 Ų41.65%0.05321%0.208CC..G310 helixtrans-54-42.5178.459.4-22.1000114L125 F126 I129 N168 I169 Y203 L227L125-D166 HydrophobicContact CB-CB 4.07Å; L125-D166 WeakPolarHBondContact CB-O 3.5Å; L125-D166 HydrophobicContact CD2-CB 4.04Å; L125-D166 HydrophobicContact CG-CB 4.02Å; L125-D166 PolarHBondContact N-O 3.38Å; F126-D166 WeakPolarHBondContact CA-OD2 3.35Å; F126-D166 HydrophobicContact CB-CB 4.33Å; F126-D166 WeakPolarHBondContact CB-OD2 3.43Å; F126-D166 WeakPolarHBondContact CD2-OD2 3.48Å; I129-D166 HydrophobicContact CD1-CB 4.46Å; D166-N168 PolarHBondContact O-N 3.29Å; D166-N168 VanDerWaalsContact O-N 3.1Å; D166-I169 PolarHBondContact O-N 2.97Å; D166-Y203 PolarHBondContact OD1-OH 3.2Å; D166-L227 HydrophobicContact CB-CD1 4.06Å
167E97.4Very high96.9Very high92 Ų9239.2 Ų39.243%0.4319%0.186SC..G310 helixtrans-56-29.2174.2-65.8175.2-97.700113.2F126 K165F126-E167 HydrophobicContact CB-CG 3.93Å; F126-E167 HydrophobicContact CD2-CG 4.19Å; F126-E167 HydrophobicContact CG-CG 4.1Å; K165-E167 VanDerWaalsContact C-N 3.35Å; K165-E167 HydrophobicContact CD-CB 4.1Å; K165-E167 HydrophobicContact CD-CG 4.43Å; K165-E167 WeakPolarHBondContact CD-OE1 3.3Å; K165-E167 WeakPolarHBondContact CE-OE1 3.44Å; K165-E167 HydrophobicContact CG-CB 4.28Å; K165-E167 IonicContact NZ-OE1 2.72Å; K165-E167 PolarHBondContact NZ-OE1 3.01Å; K165-E167 IonicContact NZ-OE2 3.56Å; K165-E167 PolarHBondContact O-N 2.95Å
168N98.2Very high96.9Very high10 Ų1035.7 Ų35.75%0.05317%0.173CC..G310 helixtrans-97.712.3-178.3-70.9-21.8000113.1D163 K165 D166 I181D163-N168 PolarHBondContact O-ND2 3.39Å; D163-N168 PolarHBondContact OD2-ND2 3.36Å; K165-N168 HydrophobicContact CG-CB 4.2Å; K165-N168 PolarHBondContact O-N 3.1Å; D166-N168 PolarHBondContact O-N 3.29Å; D166-N168 VanDerWaalsContact O-N 3.1Å; N168-I181 VanDerWaalsContact C-CG1 3.49Å; N168-I181 HydrophobicContact CB-CG1 4.37Å; N168-I181 WeakPolarHBondContact O-CG1 3.1Å; N168-I181 PolarHBondContact O-N 2.96Å
169I98.6Very high96.9Very high1 Ų135.1 Ų35.11%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-114.5114.3172.8-56.4-54.6000109.5D124 L125 V147 K165 D166 A178 L180 L227D124-I169 CarbonylContact C-O 3.54Å; D124-I169 WeakPolarHBondContact CA-O 3.41Å; L125-I169 HydrophobicContact CB-CB 3.97Å; L125-I169 HydrophobicContact CB-CG2 4.28Å; L125-I169 HydrophobicContact CD2-CB 4.22Å; L125-I169 HydrophobicContact CD2-CG2 4.34Å; L125-I169 PolarHBondContact N-O 3.29Å; V147-I169 HydrophobicContact CG1-CD1 4.03Å; V147-I169 HydrophobicContact CG2-CD1 3.76Å; V147-I169 HydrophobicContact CG2-CG1 4.12Å; V147-I169 HydrophobicContact CG2-CG2 4.09Å; K165-I169 WeakPolarHBondContact O-CG1 3.38Å; D166-I169 PolarHBondContact O-N 2.97Å; I169-A178 HydrophobicContact CG2-CB 3.84Å; I169-L180 HydrophobicContact CD1-CB 4.5Å; I169-L180 HydrophobicContact CD1-CD1 3.63Å; I169-L227 HydrophobicContact CG1-CD2 4.42Å
170L98.1Very high96.9Very high31 Ų3135.2 Ų35.216%0.16217%0.165CC..EExtended strand (participates in β ladder)trans-93.4129.3175.1-168.273.9000110.9P119 A122 A178 K179 I181P119-L170 HydrophobicContact CG-CD2 3.99Å; A122-L170 HydrophobicContact CB-CD1 4.02Å; A122-L170 HydrophobicContact CB-CD2 3.94Å; A122-L170 HydrophobicContact CB-CG 3.94Å; L170-A178 CarbonylContact O-C 3.57Å; L170-A178 WeakPolarHBondContact O-CA 3.26Å; L170-K179 HydrophobicContact CB-CB 4.47Å; L170-K179 PolarHBondContact N-O 3.02Å; L170-K179 PolarHBondContact O-N 2.93Å; L170-I181 HydrophobicContact CB-CG2 4.07Å
171I98Very high96.9Very high3 Ų337.2 Ų37.22%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-94.9118.4174-55.8167.7000109.4A122 Q123 L125 Y128 F143 L173 C177A122-I171 WeakPolarHBondContact CA-O 3.44Å; A122-I171 WeakPolarHBondContact CB-O 3.45Å; Q123-I171 PolarHBondContact N-O 2.67Å; Q123-I171 PolarHBondContact O-N 2.72Å; L125-I171 HydrophobicContact CB-CD1 4.41Å; L125-I171 HydrophobicContact CD1-CD1 3.65Å; L125-I171 HydrophobicContact CD1-CG1 4.44Å; Y128-I171 HydrophobicContact CD1-CD1 3.67Å; Y128-I171 HydrophobicContact CD2-CD1 3.92Å; Y128-I171 HydrophobicContact CE1-CD1 4.25Å; Y128-I171 HydrophobicContact CE2-CD1 4.46Å; Y128-I171 HydrophobicContact CG-CD1 3.49Å; Y128-I171 VanDerWaalsContact CG-CD1 3.49Å; F143-I171 HydrophobicContact CE1-CG1 4.48Å; F143-I171 HydrophobicContact CE1-CG2 4.04Å; F143-I171 HydrophobicContact CE2-CD1 4Å; F143-I171 HydrophobicContact CZ-CD1 4.02Å; F143-I171 HydrophobicContact CZ-CG1 4.32Å; F143-I171 HydrophobicContact CZ-CG2 3.96Å; I171-L173 HydrophobicContact CB-CD2 4.39Å; I171-L173 HydrophobicContact CG2-CD2 3.94Å; I171-L173 PolarHBondContact O-N 2.76Å; I171-L173 VanDerWaalsContact O-N 3.15Å; I171-C177 WeakPolarHBondContact CA-O 3.34Å
172D95.9Very high96.8Very high11 Ų1138.4 Ų38.46%0.05918%0.182CC..EExtended strand (participates in β ladder)trans-73.198.2162.5-178.3-29.4000108.2P119 R174 R175 G176 C177P119-D172 HydrophobicContact CB-CB 3.98Å; D172-R174 PolarHBondContact O-N 3.19Å; D172-R174 WeakPolarHBondContact OD1-CB 3.44Å; D172-R174 PolarHBondContact OD1-N 3.04Å; D172-R175 HydrophobicContact CB-CB 4.33Å; D172-R175 PolarHBondContact O-N 3.22Å; D172-R175 VanDerWaalsContact O-N 3.16Å; D172-R175 PolarHBondContact OD1-N 3.29Å; D172-R175 WeakPolarHBondContact OD2-CD 3.46Å; D172-G176 WeakPolarHBondContact O-CA 3.38Å; D172-G176 PolarHBondContact O-N 2.77Å; D172-C177 HydrophobicContact CB-CB 4.49Å; D172-C177 PolarHBondContact N-O 3.42Å; D172-C177 PolarHBondContact O-N 2.89Å
173L94.8Very high96.7Very high75 Ų7537.3 Ų37.339%0.39318%0.177SC..THydrogen-bonded Turntrans-65.7-19.6-174.9-63.7174.5000112.8P121 Q123 Y128 I171P121-L173 HydrophobicContact CB-CB 4.49Å; P121-L173 HydrophobicContact CB-CD1 4.35Å; P121-L173 HydrophobicContact CG-CB 4.13Å; P121-L173 PolarHBondContact O-N 3.12Å; Q123-L173 HydrophobicContact CB-CD1 4.09Å; Q123-L173 HydrophobicContact CB-CG 4.46Å; Y128-L173 HydrophobicContact CD2-CD2 4.14Å; Y128-L173 HydrophobicContact CE2-CD2 3.99Å; I171-L173 HydrophobicContact CB-CD2 4.39Å; I171-L173 HydrophobicContact CG2-CD2 3.94Å; I171-L173 PolarHBondContact O-N 2.76Å; I171-L173 VanDerWaalsContact O-N 3.15Å
174R93.8Very high96.6Very high189 Ų18937.7 Ų37.771%0.71318%0.182SC*.THydrogen-bonded Turntrans-78.7-39.5176-177.6-175.9-62.1-84.9-1.7111.3L120 D172L120-R174 PolarHBondContact O-NE 3.14Å; D172-R174 PolarHBondContact O-N 3.19Å; D172-R174 WeakPolarHBondContact OD1-CB 3.44Å; D172-R174 PolarHBondContact OD1-N 3.04Å
175R91.6Very high96.5Very high180 Ų18037.7 Ų37.768%0.67918%0.182SC*.THydrogen-bonded Turntrans-97.1-17.4-175.4-62.6-175.5173.3-172.9-1.5113.6D172 C177D172-R175 HydrophobicContact CB-CB 4.33Å; D172-R175 PolarHBondContact O-N 3.22Å; D172-R175 VanDerWaalsContact O-N 3.16Å; D172-R175 PolarHBondContact OD1-N 3.29Å; D172-R175 WeakPolarHBondContact OD2-CD 3.46Å; R175-C177 VanDerWaalsContact C-N 3.31Å; R175-C177 HydrophobicContact CB-CB 4.31Å
176G92.1Very high96.4Very high35 Ų3536.9 Ų36.936%0.36118%0.178SC..THydrogen-bonded Turntrans68.431.1-170.900000112.4Q146 D172Q146-G176 PolarHBondContact NE2-O 2.96Å; D172-G176 WeakPolarHBondContact O-CA 3.38Å; D172-G176 PolarHBondContact O-N 2.77Å
177C94.9Very high96.4Very high36 Ų3636.9 Ų36.924%0.24318%0.18CC..EExtended strand (participates in β ladder)trans-109.1136.9-175.6-60.60000112.1I171 D172 R175I171-C177 WeakPolarHBondContact CA-O 3.34Å; D172-C177 HydrophobicContact CB-CB 4.49Å; D172-C177 PolarHBondContact N-O 3.42Å; D172-C177 PolarHBondContact O-N 2.89Å; R175-C177 VanDerWaalsContact C-N 3.31Å; R175-C177 HydrophobicContact CB-CB 4.31Å
178A97.7Very high96.4Very high2 Ų235.7 Ų35.72%0.01718%0.176CC..EExtended strand (participates in β ladder)trans-88.2140.8172.900000110.9G98 F143 Q146 V147 I169 L170G98-A178 WeakPolarHBondContact CA-O 3.32Å; F143-A178 HydrophobicContact CD1-CB 4.2Å; Q146-A178 HydrophobicContact CB-CB 4.14Å; V147-A178 HydrophobicContact CG2-CB 4.19Å; I169-A178 HydrophobicContact CG2-CB 3.84Å; L170-A178 CarbonylContact O-C 3.57Å; L170-A178 WeakPolarHBondContact O-CA 3.26Å
179K98.4Very high96.3Very high12 Ų1238.1 Ų38.15%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-132.6124.4177.2-78.4171.2175.2-75.10110.6P97 G98 I100 E117 P119 L170P97-K179 WeakPolarHBondContact O-CG 3.39Å; P97-K179 PolarHBondContact O-NZ 3.03Å; G98-K179 CarbonylContact O-C 3.48Å; G98-K179 WeakPolarHBondContact O-CA 3.21Å; I100-K179 HydrophobicContact CD1-CD 4.22Å; E117-K179 VanDerWaalsContact CD-NZ 3.28Å; E117-K179 VanDerWaalsContact OE1-CE 3.27Å; E117-K179 WeakPolarHBondContact OE1-CE 3.48Å; E117-K179 IonicContact OE1-NZ 2.7Å; E117-K179 PolarHBondContact OE1-NZ 3.21Å; E117-K179 IonicContact OE2-NZ 2.65Å; E117-K179 PolarHBondContact OE2-NZ 2.88Å; P119-K179 HydrophobicContact CG-CD 3.59Å; L170-K179 HydrophobicContact CB-CB 4.47Å; L170-K179 PolarHBondContact N-O 3.02Å; L170-K179 PolarHBondContact O-N 2.93Å
180L98.5Very high96.3Very high2 Ų242 Ų421%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-70.1128.8171.2-172.961.3000110.2G98 I100 I151 H161 I164 I169 F183G98-L180 PolarHBondContact O-N 2.8Å; I100-L180 WeakPolarHBondContact CB-O 3.21Å; I100-L180 PolarHBondContact N-O 3Å; I151-L180 HydrophobicContact CG1-CD2 4.4Å; H161-L180 HydrophobicContact CB-CD2 4.32Å; H161-L180 VanDerWaalsContact CD2-CD2 3.43Å; H161-L180 WeakPolarHBondContact CD2-CD2 3.38Å; I164-L180 HydrophobicContact CD1-CD1 3.57Å; I164-L180 HydrophobicContact CD1-CD2 3.95Å; I164-L180 HydrophobicContact CD1-CG 4.43Å; I169-L180 HydrophobicContact CD1-CB 4.5Å; I169-L180 HydrophobicContact CD1-CD1 3.63Å; L180-F183 HydrophobicContact CD2-CE2 4.45Å; L180-F183 HydrophobicContact CD2-CZ 4.04Å; L180-F183 HydrophobicContact CG-CE2 4.33Å; L180-F183 HydrophobicContact CG-CZ 4.41Å
181I97.9Very high96.1Very high42 Ų4247.6 Ų47.622%0.21524%0.237CC..  trans-122.9168.1177.161.3163.3000110.4I100 H161 N168 L170I100-I181 HydrophobicContact CB-CG2 3.79Å; I100-I181 HydrophobicContact CD1-CG2 4.31Å; I100-I181 HydrophobicContact CG1-CG2 4.08Å; I100-I181 HydrophobicContact CG2-CB 4.3Å; I100-I181 HydrophobicContact CG2-CG2 3.99Å; H161-I181 PolarHBondContact CE1-O 3.49Å; H161-I181 PolarHBondContact NE2-O 3.34Å; N168-I181 VanDerWaalsContact C-CG1 3.49Å; N168-I181 HydrophobicContact CB-CG1 4.37Å; N168-I181 WeakPolarHBondContact O-CG1 3.1Å; N168-I181 PolarHBondContact O-N 2.96Å; L170-I181 HydrophobicContact CB-CG2 4.07Å
182D95.4Very high96.1Very high31 Ų3153.9 Ų53.917%0.16627%0.266CS..  trans61.382.9172.8-154-20.2000116.5F43 K61 H161 G184F43-D182 WeakPolarHBondContact CD2-OD2 3.36Å; K61-D182 VanDerWaalsContact NZ-CG 3.28Å; K61-D182 IonicContact NZ-OD1 2.76Å; K61-D182 PolarHBondContact NZ-OD1 3.35Å; K61-D182 IonicContact NZ-OD2 3.52Å; K61-D182 PolarHBondContact NZ-OD2 2.91Å; H161-D182 PolarHBondContact CE1-O 2.92Å; H161-D182 PolarHBondContact NE2-O 3.42Å; D182-G184 PolarHBondContact O-N 3.48Å; D182-G184 WeakPolarHBondContact OD1-CA 3.42Å; D182-G184 PolarHBondContact OD1-N 3.46Å
183F96.9Very high96.2Very high0 Ų055.5 Ų55.50%028%0.278CS..  trans-87.219.7174.2-73.4-111.1000112.2E83 L86 L87 V90 V99 V159 H161 L180 S185 G186E83-F183 HydrophobicContact CG-CB 4.11Å; L86-F183 HydrophobicContact CB-CB 4.31Å; L86-F183 HydrophobicContact CB-CD1 4.21Å; L86-F183 HydrophobicContact CD1-CB 4.48Å; L87-F183 HydrophobicContact CD2-CB 4.47Å; L87-F183 HydrophobicContact CD2-CD2 3.42Å; L87-F183 VanDerWaalsContact CD2-CD2 3.42Å; L87-F183 HydrophobicContact CD2-CE2 3.8Å; L87-F183 HydrophobicContact CD2-CG 4.03Å; L87-F183 HydrophobicContact CG-CB 4.24Å; L87-F183 HydrophobicContact CG-CD2 4.12Å; L87-F183 HydrophobicContact CG-CG 4.27Å; V90-F183 HydrophobicContact CG1-CE1 4.13Å; V90-F183 HydrophobicContact CG2-CE1 4.39Å; V90-F183 HydrophobicContact CG2-CZ 4.25Å; V99-F183 HydrophobicContact CG1-CE2 3.75Å; V99-F183 HydrophobicContact CG1-CZ 3.65Å; V159-F183 HydrophobicContact CG1-CD1 3.88Å; V159-F183 HydrophobicContact CG1-CE1 3.83Å; H161-F183 AromaticContact CD2-CD1 3.85Å; H161-F183 AromaticContact CD2-CD2 3.92Å; H161-F183 AromaticContact CD2-CE1 3.78Å; H161-F183 AromaticContact CD2-CE2 3.84Å; H161-F183 AromaticContact CD2-CG 3.93Å; H161-F183 AromaticContact CD2-CZ 3.77Å; H161-F183 AromaticContact NE2-CD2 3.94Å; L180-F183 HydrophobicContact CD2-CE2 4.45Å; L180-F183 HydrophobicContact CD2-CZ 4.04Å; L180-F183 HydrophobicContact CG-CE2 4.33Å; L180-F183 HydrophobicContact CG-CZ 4.41Å; F183-S185 VanDerWaalsContact C-N 3.32Å; F183-S185 PolarHBondContact O-N 3.03Å; F183-G186 PolarHBondContact O-N 3.33Å
184G95.3Very high96.3Very high11 Ų1152.2 Ų52.211%0.11326%0.26CS..THydrogen-bonded Turntrans-59.4-39.5-176.200000113.3D182D182-G184 PolarHBondContact O-N 3.48Å; D182-G184 WeakPolarHBondContact OD1-CA 3.42Å; D182-G184 PolarHBondContact OD1-N 3.46Å
185S95.7Very high96.5Very high1 Ų147.8 Ų47.81%0.00725%0.254CS..THydrogen-bonded Turntrans-88.6-0.4175.1-55.40000113.7F43 R162 F183 D198F43-S185 WeakPolarHBondContact CE1-OG 3.4Å; F43-S185 WeakPolarHBondContact CZ-OG 3.48Å; R162-S185 VanDerWaalsContact CZ-O 3.24Å; R162-S185 PolarHBondContact NE-O 3.32Å; R162-S185 PolarHBondContact NH2-O 2.97Å; F183-S185 VanDerWaalsContact C-N 3.32Å; F183-S185 PolarHBondContact O-N 3.03Å; S185-D198 WeakPolarHBondContact CB-O 3.46Å; S185-D198 PolarHBondContact OG-O 2.92Å
186G97Very high96.7Very high0 Ų042.5 Ų42.50%024%0.239CC..  trans-66.7169.5-173.500000113.8L82 V160 H161 F183L82-G186 WeakPolarHBondContact CD2-O 3.16Å; V160-G186 CarbonylContact O-C 3.59Å; V160-G186 WeakPolarHBondContact O-CA 3.44Å; H161-G186 VanDerWaalsContact O-CA 3.31Å; H161-G186 WeakPolarHBondContact O-CA 3.45Å; H161-G186 PolarHBondContact O-N 3.12Å; F183-G186 PolarHBondContact O-N 3.33Å
187A97.4Very high96.8Very high11 Ų1142.4 Ų42.49%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-146.1167.6174.300000111.9V160 Y194V160-A187 HydrophobicContact CG1-CB 3.83Å; V160-A187 WeakPolarHBondContact CG1-O 3.2Å; V160-A187 PolarHBondContact N-O 2.87Å; V160-A187 PolarHBondContact O-N 3.4Å; A187-Y194 HydrophobicContact CB-CE1 3.86Å
188L97.3Very high96.7Very high66 Ų6644.2 Ų44.235%0.34624%0.236SC..EExtended strand (participates in β ladder)trans-70.8133.5165.6-67.3178.1000109.1L86 K89 H190 Y194L86-L188 HydrophobicContact CD2-CD2 3.88Å; L86-L188 HydrophobicContact CD2-CG 4.37Å; K89-L188 HydrophobicContact CD-CD2 3.92Å; K89-L188 VanDerWaalsContact NZ-CD2 3.33Å; L188-H190 PolarHBondContact O-CD2 2.94Å; L188-Y194 PolarHBondContact O-OH 2.76Å
189L97.6Very high96.5Very high62 Ų6245 Ų4533%0.32524%0.244SC..  trans-69.2131.1177.6-177.163.7000110.3H155 G158 V160 Y194 A216H155-L189 HydrophobicContact CB-CD2 4.22Å; G158-L189 VanDerWaalsContact C-CB 3.47Å; G158-L189 PolarHBondContact O-N 3.22Å; V160-L189 HydrophobicContact CB-CD1 4.45Å; L189-Y194 WeakPolarHBondContact CA-OH 3.43Å; L189-A216 HydrophobicContact CD1-CB 3.43Å; L189-A216 VanDerWaalsContact CD1-CB 3.43Å
190H97Very high96.5Very high82 Ų8246 Ų4638%0.3825%0.251SS..  trans-147.5165.5170.457.369.2000110.8L188 E192 Y194L188-H190 PolarHBondContact O-CD2 2.94Å; H190-E192 PolarHBondContact CE1-O 3.26Å; H190-E192 PolarHBondContact ND1-N 2.9Å; H190-E192 PolarHBondContact ND1-O 2.87Å; H190-Y194 AromaticContact CD2-CE1 3.9Å; H190-Y194 AromaticContact CD2-CZ 3.71Å; H190-Y194 PolarHBondContact CD2-OH 2.84Å; H190-Y194 AromaticContact CE1-CD1 3.83Å; H190-Y194 AromaticContact CE1-CD2 3.82Å; H190-Y194 AromaticContact CE1-CE1 3.54Å; H190-Y194 AromaticContact CE1-CE2 3.5Å; H190-Y194 VanDerWaalsContact CE1-CE2 3.5Å; H190-Y194 WeakPolarHBondContact CE1-CE2 3.48Å; H190-Y194 AromaticContact CE1-CG 3.97Å; H190-Y194 AromaticContact CE1-CZ 3.35Å; H190-Y194 PolarHBondContact N-OH 2.86Å; H190-Y194 VanDerWaalsContact N-OH 3.13Å; H190-Y194 AromaticContact ND1-CE2 3.81Å; H190-Y194 AromaticContact ND1-CZ 3.79Å; H190-Y194 AromaticContact NE2-CD1 3.71Å; H190-Y194 AromaticContact NE2-CE1 3.16Å; H190-Y194 WeakPolarHBondContact NE2-CE1 3.31Å; H190-Y194 AromaticContact NE2-CE2 3.95Å; H190-Y194 AromaticContact NE2-CZ 3.29Å; H190-Y194 VanDerWaalsContact NE2-CZ 3.29Å
191D95.7Very high96.4Very high148 Ų14851.2 Ų51.279%0.79127%0.271SS*.SBendtrans-80.8-26.8-175.8-63.7-32.5000113.1H215D191-H215 PolarHBondContact O-CE1 2.7Å; D191-H215 PolarHBondContact O-ND1 2.98Å
192E97.6Very high96.4Very high135 Ų13551 Ų5163%0.63127%0.271SS*.SBendtrans-63.2150.2178.7-64.4-57.2142.500112H190 Y194H190-E192 PolarHBondContact CE1-O 3.26Å; H190-E192 PolarHBondContact ND1-N 2.9Å; H190-E192 PolarHBondContact ND1-O 2.87Å; E192-Y194 PolarHBondContact O-N 3.39Å
193P97.3Very high96.6Very high46 Ų4650.1 Ų50.130%0.29927%0.266SS..PPolyproline II helixtrans-60.3136.7173.6-16.928000111.5Y214P193-Y214 CarbonylContact C-O 3.52Å; P193-Y214 WeakPolarHBondContact CA-O 3.31Å
194Y98.3Very high96.7Very high5 Ų550.1 Ų50.12%0.0227%0.266CS..BIsolated β-bridgetrans-80.1135.3168.6-66.9-98.7000109.1V160 A187 L188 L189 H190 E192 Q213 Y214 A216V160-Y194 HydrophobicContact CG1-CE1 4.41Å; A187-Y194 HydrophobicContact CB-CE1 3.86Å; L188-Y194 PolarHBondContact O-OH 2.76Å; L189-Y194 WeakPolarHBondContact CA-OH 3.43Å; H190-Y194 AromaticContact CD2-CE1 3.9Å; H190-Y194 AromaticContact CD2-CZ 3.71Å; H190-Y194 PolarHBondContact CD2-OH 2.84Å; H190-Y194 AromaticContact CE1-CD1 3.83Å; H190-Y194 AromaticContact CE1-CD2 3.82Å; H190-Y194 AromaticContact CE1-CE1 3.54Å; H190-Y194 AromaticContact CE1-CE2 3.5Å; H190-Y194 VanDerWaalsContact CE1-CE2 3.5Å; H190-Y194 WeakPolarHBondContact CE1-CE2 3.48Å; H190-Y194 AromaticContact CE1-CG 3.97Å; H190-Y194 AromaticContact CE1-CZ 3.35Å; H190-Y194 PolarHBondContact N-OH 2.86Å; H190-Y194 VanDerWaalsContact N-OH 3.13Å; H190-Y194 AromaticContact ND1-CE2 3.81Å; H190-Y194 AromaticContact ND1-CZ 3.79Å; H190-Y194 AromaticContact NE2-CD1 3.71Å; H190-Y194 AromaticContact NE2-CE1 3.16Å; H190-Y194 WeakPolarHBondContact NE2-CE1 3.31Å; H190-Y194 AromaticContact NE2-CE2 3.95Å; H190-Y194 AromaticContact NE2-CZ 3.29Å; H190-Y194 VanDerWaalsContact NE2-CZ 3.29Å; E192-Y194 PolarHBondContact O-N 3.39Å; Y194-Q213 VanDerWaalsContact O-CA 3.32Å; Y194-Q213 WeakPolarHBondContact O-CA 3.46Å; Y194-Y214 HydrophobicContact CD2-CD2 4.44Å; Y194-Y214 HydrophobicContact CD2-CE2 4.05Å; Y194-Y214 AromaticContact CG-CE2 3.94Å; Y194-Y214 HydrophobicContact CG-CE2 3.94Å; Y194-Y214 AromaticContact CG-CZ 3.94Å; Y194-Y214 PolarHBondContact N-O 3.38Å; Y194-Y214 PolarHBondContact O-N 2.94Å; Y194-A216 HydrophobicContact CD2-CB 4.47Å; Y194-A216 HydrophobicContact CE2-CB 3.73Å
195T97.8Very high96.8Very high96 Ų9649.7 Ų49.759%0.58926%0.261SS*.  trans-111.76.8178.155.90000112.8Q213T195-Q213 HydrophobicContact CG2-CG 4.02Å
196D95.9Very high97Very high69 Ų6950 Ų5037%0.36926%0.263SS..  trans-127.1150.6178.466.7-63.7000110.2R162 Y214R162-D196 IonicContact CZ-OD2 2.8Å; R162-D196 PolarHBondContact NH1-O 3.27Å; R162-D196 IonicContact NH1-OD1 3.55Å; R162-D196 IonicContact NH1-OD2 3.31Å; R162-D196 PolarHBondContact NH1-OD2 3.13Å; R162-D196 IonicContact NH2-OD2 2.78Å; R162-D196 PolarHBondContact NH2-OD2 2.92Å; D196-Y214 WeakPolarHBondContact O-CE1 3.25Å; D196-Y214 PolarHBondContact O-OH 3.42Å
197F94.1Very high97.1Very high34 Ų3451 Ų5115%0.14927%0.268CS..  trans-154.4114.9178.6-174.3-98.1000110.2G199 W208 Y214F197-G199 WeakPolarHBondContact CE1-O 3.31Å; F197-W208 HydrophobicContact CB-CD2 3.76Å; F197-W208 HydrophobicContact CB-CE3 4.02Å; F197-W208 HydrophobicContact CB-CH2 3.61Å; F197-W208 HydrophobicContact CB-CZ2 3.34Å; F197-W208 HydrophobicContact CB-CZ3 3.94Å; F197-W208 AromaticContact CD1-NE1 3.7Å; F197-W208 HydrophobicContact CG-CD2 4.21Å; F197-W208 AromaticContact CG-CE2 3.92Å; F197-W208 HydrophobicContact CG-CG 4.48Å; F197-W208 HydrophobicContact CG-CZ2 4.31Å; F197-W208 AromaticContact CG-NE1 3.93Å; F197-Y214 HydrophobicContact CB-CE1 4.12Å; F197-Y214 AromaticContact CD2-CE1 3.93Å; F197-Y214 HydrophobicContact CD2-CE1 3.93Å; F197-Y214 AromaticContact CD2-CZ 3.92Å; F197-Y214 HydrophobicContact CG-CE1 4.49Å
198D91.7Very high97.1Very high74 Ų7451.6 Ų51.640%0.39627%0.268SS..  trans-109.114.5175.9-62.1-54.9000111.9L69 S185L69-D198 HydrophobicContact CD1-CB 4.02Å; S185-D198 WeakPolarHBondContact CB-O 3.46Å; S185-D198 PolarHBondContact OG-O 2.92Å
199G94.6Very high97.2Very high17 Ų1749.2 Ų49.218%0.17526%0.255CS..SBendtrans-83-179.4176.100000113F197 R201F197-G199 WeakPolarHBondContact CE1-O 3.31Å; G199-R201 PolarHBondContact O-N 2.75Å
200T96.9Very high97.2Very high33 Ų3349.5 Ų49.520%0.20226%0.262CS..  trans-73.5121.8179.3-57.70000111D163 K165 V202 Y203 S204D163-T200 VanDerWaalsContact OD1-CB 3.26Å; D163-T200 WeakPolarHBondContact OD1-CB 3.35Å; D163-T200 PolarHBondContact OD1-N 3.22Å; D163-T200 PolarHBondContact OD1-OG1 3.42Å; K165-T200 HydrophobicContact CD-CG2 4.36Å; K165-T200 WeakPolarHBondContact CD-OG1 3.39Å; K165-T200 VanDerWaalsContact CE-OG1 3.25Å; K165-T200 WeakPolarHBondContact CE-OG1 3.47Å; K165-T200 PolarHBondContact NZ-OG1 2.88Å; T200-V202 HydrophobicContact CG2-CG2 3.92Å; T200-V202 PolarHBondContact O-N 2.75Å; T200-Y203 HydrophobicContact CG2-CD2 3.91Å; T200-Y203 WeakPolarHBondContact O-CB 3.12Å; T200-Y203 PolarHBondContact O-N 3.43Å; T200-S204 PolarHBondContact O-N 2.92Å
201R97.6Very high97.2Very high112 Ų11254.8 Ų54.842%0.42328%0.279SS..G310 helixtrans-58-41.9-170.9-172.2178.6-173.481.9-2.4114.1G199 Y203 S204 I209 D241G199-R201 PolarHBondContact O-N 2.75Å; R201-Y203 PolarHBondContact O-N 3.48Å; R201-S204 VanDerWaalsContact O-CB 3.25Å; R201-S204 WeakPolarHBondContact O-CB 3.43Å; R201-S204 PolarHBondContact O-N 2.7Å; R201-S204 PolarHBondContact O-OG 2.76Å; R201-I209 HydrophobicContact CG-CD1 4.3Å; R201-D241 IonicContact CZ-OD1 3.9Å; R201-D241 IonicContact CZ-OD2 3.24Å; R201-D241 IonicContact NE-OD1 2.68Å; R201-D241 PolarHBondContact NE-OD1 3.07Å; R201-D241 IonicContact NE-OD2 3.02Å; R201-D241 VanDerWaalsContact NH2-CG 3.32Å; R201-D241 IonicContact NH2-OD1 3.99Å; R201-D241 PolarHBondContact NH2-OD1 2.91Å; R201-D241 IonicContact NH2-OD2 2.71Å; R201-D241 PolarHBondContact NH2-OD2 3.27Å
202V98.4Very high97.3Very high38 Ų3852.7 Ų52.723%0.2326%0.264CS..G310 helixtrans-68.6-15.4-179.8-630000113.3T200 I236T200-V202 HydrophobicContact CG2-CG2 3.92Å; T200-V202 PolarHBondContact O-N 2.75Å; V202-I236 HydrophobicContact CB-CD1 3.87Å; V202-I236 HydrophobicContact CG1-CD1 4.36Å; V202-I236 HydrophobicContact CG2-CD1 3.61Å
203Y98.8Very high97.3Very high12 Ų1250.8 Ų50.85%0.04726%0.255CS..G310 helixtrans-94.4-1.8171.1-77.6-99.9000113.1I164 K165 D166 T200 R201 W222 I226 L227 I236I164-Y203 WeakPolarHBondContact O-CD1 3.45Å; K165-Y203 HydrophobicContact CB-CD1 4.03Å; K165-Y203 HydrophobicContact CB-CD2 3.99Å; K165-Y203 HydrophobicContact CB-CE1 3.64Å; K165-Y203 HydrophobicContact CB-CE2 3.62Å; K165-Y203 HydrophobicContact CB-CG 4.19Å; K165-Y203 VanDerWaalsContact CB-CZ 3.42Å; D166-Y203 PolarHBondContact OD1-OH 3.2Å; T200-Y203 HydrophobicContact CG2-CD2 3.91Å; T200-Y203 WeakPolarHBondContact O-CB 3.12Å; T200-Y203 PolarHBondContact O-N 3.43Å; R201-Y203 PolarHBondContact O-N 3.48Å; Y203-W222 VanDerWaalsContact O-CD1 3.31Å; Y203-I226 HydrophobicContact CD1-CB 3.67Å; Y203-I226 HydrophobicContact CD1-CG1 4.41Å; Y203-I226 HydrophobicContact CD1-CG2 3.46Å; Y203-I226 VanDerWaalsContact CD1-CG2 3.46Å; Y203-I226 HydrophobicContact CD2-CG2 4.37Å; Y203-I226 HydrophobicContact CE1-CB 3.8Å; Y203-I226 HydrophobicContact CE1-CG2 3.32Å; Y203-I226 HydrophobicContact CE2-CG2 4.25Å; Y203-I226 HydrophobicContact CG-CB 4.46Å; Y203-I226 HydrophobicContact CG-CG2 4Å; Y203-L227 HydrophobicContact CE1-CB 4.44Å; Y203-I236 HydrophobicContact CE2-CG2 4.04Å
204S98.4Very high97.4Very high0 Ų049 Ų490%024%0.242CC..SBendtrans-80.5146.9-177.475.10000112T200 R201 I209 W222 I244T200-S204 PolarHBondContact O-N 2.92Å; R201-S204 VanDerWaalsContact O-CB 3.25Å; R201-S204 WeakPolarHBondContact O-CB 3.43Å; R201-S204 PolarHBondContact O-N 2.7Å; R201-S204 PolarHBondContact O-OG 2.76Å; S204-I209 VanDerWaalsContact OG-CD1 3.28Å; S204-I209 WeakPolarHBondContact OG-CD1 3.43Å; S204-W222 PolarHBondContact O-NE1 3.01Å; S204-I244 WeakPolarHBondContact O-CG2 3.28Å
205P98.7Very high97.4Very high2 Ų252.9 Ų52.91%0.01326%0.261CS..  trans-80.7160-174.736.7-40.3000112.6E207 W208 I209 A219 W222P205-E207 VanDerWaalsContact C-N 3.27Å; P205-E207 HydrophobicContact CB-CG 4.44Å; P205-E207 WeakPolarHBondContact CB-OE1 3Å; P205-E207 WeakPolarHBondContact CB-OE2 3.06Å; P205-E207 HydrophobicContact CG-CG 4.19Å; P205-E207 PolarHBondContact O-N 3.4Å; P205-W208 HydrophobicContact CG-CB 4.07Å; P205-W208 WeakPolarHBondContact O-CB 3.5Å; P205-W208 PolarHBondContact O-N 2.92Å; P205-I209 PolarHBondContact O-N 3.22Å; P205-A219 HydrophobicContact CG-CB 3.86Å; P205-W222 HydrophobicContact CB-CB 3.9Å; P205-W222 HydrophobicContact CB-CD2 4.04Å; P205-W222 HydrophobicContact CB-CG 3.66Å
206P98.7Very high97.4Very high8 Ų848.6 Ų48.65%0.05224%0.235CC..Hα-helixtrans-61.4-30.4-175.821.7-33.5000113.9W208 I209 S210 W222 I244 L245P206-W208 VanDerWaalsContact C-N 3.3Å; P206-W208 PolarHBondContact O-N 2.67Å; P206-I209 PolarHBondContact O-N 3.37Å; P206-S210 WeakPolarHBondContact O-CB 3.49Å; P206-S210 PolarHBondContact O-N 3.38Å; P206-S210 PolarHBondContact O-OG 2.98Å; P206-W222 VanDerWaalsContact CD-CH2 3.49Å; P206-W222 VanDerWaalsContact CD-CZ3 3.43Å; P206-W222 HydrophobicContact CG-CE3 4.26Å; P206-W222 HydrophobicContact CG-CH2 3.94Å; P206-W222 HydrophobicContact CG-CZ3 3.78Å; P206-I244 HydrophobicContact CB-CG2 4.43Å; P206-L245 HydrophobicContact CB-CD2 4.19Å
207E98.7Very high97.5Very high20 Ų2048.7 Ų48.79%0.09324%0.235CC..Hα-helixtrans-65.5-31173.763-88-15500113P205 R211 H212 Q213 P271 R274P205-E207 VanDerWaalsContact C-N 3.27Å; P205-E207 HydrophobicContact CB-CG 4.44Å; P205-E207 WeakPolarHBondContact CB-OE1 3Å; P205-E207 WeakPolarHBondContact CB-OE2 3.06Å; P205-E207 HydrophobicContact CG-CG 4.19Å; P205-E207 PolarHBondContact O-N 3.4Å; E207-R211 WeakPolarHBondContact O-CA 3.15Å; E207-R211 WeakPolarHBondContact O-CB 3.39Å; E207-R211 PolarHBondContact O-N 2.9Å; E207-H212 PolarHBondContact O-N 3.4Å; E207-Q213 CarbonylContact C-O 3.34Å; E207-Q213 WeakPolarHBondContact CG-O 3.42Å; E207-P271 HydrophobicContact CB-CG 4.37Å; E207-P271 VanDerWaalsContact CD-CG 3.48Å; E207-P271 HydrophobicContact CG-CG 4.11Å; E207-P271 WeakPolarHBondContact OE1-CG 3.49Å; E207-R274 IonicContact OE1-CZ 3.62Å; E207-R274 IonicContact OE1-NH1 2.68Å; E207-R274 PolarHBondContact OE1-NH1 3.44Å; E207-R274 IonicContact OE1-NH2 2.88Å; E207-R274 PolarHBondContact OE1-NH2 2.76Å; E207-R274 IonicContact OE2-CZ 3.46Å; E207-R274 IonicContact OE2-NH1 2.85Å; E207-R274 IonicContact OE2-NH2 3.43Å; E207-R274 PolarHBondContact OE2-NH2 3.44Å
208W98.6Very high97.8Very high25 Ų2548.5 Ų48.510%0.09524%0.237CC..Hα-helixtrans-69.9-48.6171.6171.7-108.1000110.5F197 P205 P206 S210 H212 Y214F197-W208 HydrophobicContact CB-CD2 3.76Å; F197-W208 HydrophobicContact CB-CE3 4.02Å; F197-W208 HydrophobicContact CB-CH2 3.61Å; F197-W208 HydrophobicContact CB-CZ2 3.34Å; F197-W208 HydrophobicContact CB-CZ3 3.94Å; F197-W208 AromaticContact CD1-NE1 3.7Å; F197-W208 HydrophobicContact CG-CD2 4.21Å; F197-W208 AromaticContact CG-CE2 3.92Å; F197-W208 HydrophobicContact CG-CG 4.48Å; F197-W208 HydrophobicContact CG-CZ2 4.31Å; F197-W208 AromaticContact CG-NE1 3.93Å; P205-W208 HydrophobicContact CG-CB 4.07Å; P205-W208 WeakPolarHBondContact O-CB 3.5Å; P205-W208 PolarHBondContact O-N 2.92Å; P206-W208 VanDerWaalsContact C-N 3.3Å; P206-W208 PolarHBondContact O-N 2.67Å; W208-S210 VanDerWaalsContact C-N 3.29Å; W208-S210 PolarHBondContact O-N 3.39Å; W208-H212 VanDerWaalsContact CE3-CA 3.49Å; W208-H212 HydrophobicContact CE3-CB 4.29Å; W208-H212 HydrophobicContact CH2-CB 4.31Å; W208-H212 VanDerWaalsContact CZ3-C 3.47Å; W208-H212 HydrophobicContact CZ3-CB 3.97Å; W208-H212 WeakPolarHBondContact CZ3-O 3.47Å; W208-H212 VanDerWaalsContact O-CA 3.24Å; W208-H212 WeakPolarHBondContact O-CA 3.34Å; W208-H212 PolarHBondContact O-N 2.89Å; W208-Y214 HydrophobicContact CB-CD1 4.34Å; W208-Y214 HydrophobicContact CD2-CD1 4.36Å; W208-Y214 HydrophobicContact CD2-CE1 4.48Å; W208-Y214 AromaticContact CE3-CD1 3.73Å; W208-Y214 HydrophobicContact CE3-CD1 3.73Å; W208-Y214 AromaticContact CE3-CE1 3.85Å; W208-Y214 HydrophobicContact CE3-CE1 3.85Å; W208-Y214 HydrophobicContact CZ3-CD1 4.48Å; W208-Y214 HydrophobicContact CZ3-CE1 4.27Å
209I98.4Very high98.1Very high16 Ų1645.4 Ų45.48%0.08222%0.222CC..Hα-helixtrans-58.1-42.3179.1-58.6-58000111.7R201 S204 P205 P206 D241 I244 L245R201-I209 HydrophobicContact CG-CD1 4.3Å; S204-I209 VanDerWaalsContact OG-CD1 3.28Å; S204-I209 WeakPolarHBondContact OG-CD1 3.43Å; P205-I209 PolarHBondContact O-N 3.22Å; P206-I209 PolarHBondContact O-N 3.37Å; I209-D241 HydrophobicContact CG2-CB 3.84Å; I209-I244 HydrophobicContact CD1-CD1 4.31Å; I209-I244 HydrophobicContact CG1-CB 4.41Å; I209-I244 HydrophobicContact CG1-CD1 4.36Å; I209-I244 HydrophobicContact CG1-CG2 3.82Å; I209-L245 HydrophobicContact CB-CD2 4.07Å; I209-L245 HydrophobicContact CB-CG 4.44Å; I209-L245 HydrophobicContact CG2-CD1 3.99Å; I209-L245 HydrophobicContact CG2-CD2 3.92Å; I209-L245 HydrophobicContact CG2-CG 3.87Å
210S97.7Very high98.3Very high67 Ų6744.9 Ų44.947%0.46922%0.215SC..Hα-helixtrans-87-36-174.4570000114.6P206 W208P206-S210 WeakPolarHBondContact O-CB 3.49Å; P206-S210 PolarHBondContact O-N 3.38Å; P206-S210 PolarHBondContact O-OG 2.98Å; W208-S210 VanDerWaalsContact C-N 3.29Å; W208-S210 PolarHBondContact O-N 3.39Å
211R97.5Very high98.4Very high193 Ų19343.4 Ų43.473%0.72821%0.206SC*.Hα-helixtrans-124.6-5.4-169.3-58.5179.7-172.1-169.30.7114.1E207 Q213E207-R211 WeakPolarHBondContact O-CA 3.15Å; E207-R211 WeakPolarHBondContact O-CB 3.39Å; E207-R211 PolarHBondContact O-N 2.9Å; R211-Q213 PolarHBondContact O-N 2.83Å
212H98.1Very high98.5Very high105 Ų10538 Ų3849%0.48619%0.186SC..SBendtrans54.134.1-174-57.575.7000112.2E207 W208E207-H212 PolarHBondContact O-N 3.4Å; W208-H212 VanDerWaalsContact CE3-CA 3.49Å; W208-H212 HydrophobicContact CE3-CB 4.29Å; W208-H212 HydrophobicContact CH2-CB 4.31Å; W208-H212 VanDerWaalsContact CZ3-C 3.47Å; W208-H212 HydrophobicContact CZ3-CB 3.97Å; W208-H212 WeakPolarHBondContact CZ3-O 3.47Å; W208-H212 VanDerWaalsContact O-CA 3.24Å; W208-H212 WeakPolarHBondContact O-CA 3.34Å; W208-H212 PolarHBondContact O-N 2.89Å
213Q98.3Very high98.5Very high95 Ų9536.7 Ų36.744%0.44418%0.178SC..  trans-144.2138.3179.7-71.8-176.11.200110.8Y194 T195 E207 R211Y194-Q213 VanDerWaalsContact O-CA 3.32Å; Y194-Q213 WeakPolarHBondContact O-CA 3.46Å; T195-Q213 HydrophobicContact CG2-CG 4.02Å; E207-Q213 CarbonylContact C-O 3.34Å; E207-Q213 WeakPolarHBondContact CG-O 3.42Å; R211-Q213 PolarHBondContact O-N 2.83Å
214Y98.7Very high98.5Very high7 Ų736.1 Ų36.13%0.02718%0.176CC..BIsolated β-bridgetrans-151.8159.5174.563.1-81.4000111.3R162 P193 Y194 D196 F197 W208 A219R162-Y214 VanDerWaalsContact CD-OH 3.27Å; R162-Y214 WeakPolarHBondContact CD-OH 3.2Å; R162-Y214 PolarHBondContact NH1-OH 3.29Å; P193-Y214 CarbonylContact C-O 3.52Å; P193-Y214 WeakPolarHBondContact CA-O 3.31Å; Y194-Y214 HydrophobicContact CD2-CD2 4.44Å; Y194-Y214 HydrophobicContact CD2-CE2 4.05Å; Y194-Y214 AromaticContact CG-CE2 3.94Å; Y194-Y214 HydrophobicContact CG-CE2 3.94Å; Y194-Y214 AromaticContact CG-CZ 3.94Å; Y194-Y214 PolarHBondContact N-O 3.38Å; Y194-Y214 PolarHBondContact O-N 2.94Å; D196-Y214 WeakPolarHBondContact O-CE1 3.25Å; D196-Y214 PolarHBondContact O-OH 3.42Å; F197-Y214 HydrophobicContact CB-CE1 4.12Å; F197-Y214 AromaticContact CD2-CE1 3.93Å; F197-Y214 HydrophobicContact CD2-CE1 3.93Å; F197-Y214 AromaticContact CD2-CZ 3.92Å; F197-Y214 HydrophobicContact CG-CE1 4.49Å; W208-Y214 HydrophobicContact CB-CD1 4.34Å; W208-Y214 HydrophobicContact CD2-CD1 4.36Å; W208-Y214 HydrophobicContact CD2-CE1 4.48Å; W208-Y214 AromaticContact CE3-CD1 3.73Å; W208-Y214 HydrophobicContact CE3-CD1 3.73Å; W208-Y214 AromaticContact CE3-CE1 3.85Å; W208-Y214 HydrophobicContact CE3-CE1 3.85Å; W208-Y214 HydrophobicContact CZ3-CD1 4.48Å; W208-Y214 HydrophobicContact CZ3-CE1 4.27Å; Y214-A219 HydrophobicContact CD2-CB 3.47Å; Y214-A219 VanDerWaalsContact CD2-CB 3.47Å; Y214-A219 HydrophobicContact CE2-CB 4.23Å; Y214-A219 HydrophobicContact CG-CB 4.1Å
215H98.6Very high98.5Very high88 Ų8836.1 Ų36.141%0.40718%0.176SC..  trans-99.4145.2165.4-69.2-83.6000109.7D191 L217 P218 A219D191-H215 PolarHBondContact O-CE1 2.7Å; D191-H215 PolarHBondContact O-ND1 2.98Å; H215-L217 PolarHBondContact O-N 3.38Å; H215-P218 HydrophobicContact CB-CG 4.38Å; H215-P218 WeakPolarHBondContact O-CD 3.46Å; H215-A219 WeakPolarHBondContact O-CB 3.4Å; H215-A219 PolarHBondContact O-N 2.75Å
216A98Very high98.5Very high5 Ų536 Ų364%0.04118%0.175CC..Hα-helixtrans-54.1-51.1-172.400000113.6V160 L189 Y194 A219 T220V160-A216 HydrophobicContact CB-CB 4.21Å; V160-A216 HydrophobicContact CG1-CB 4.49Å; V160-A216 HydrophobicContact CG2-CB 3.86Å; L189-A216 HydrophobicContact CD1-CB 3.43Å; L189-A216 VanDerWaalsContact CD1-CB 3.43Å; Y194-A216 HydrophobicContact CD2-CB 4.47Å; Y194-A216 HydrophobicContact CE2-CB 3.73Å; A216-A219 PolarHBondContact O-N 3.17Å; A216-T220 WeakPolarHBondContact O-CB 3.37Å; A216-T220 PolarHBondContact O-N 2.55Å; A216-T220 PolarHBondContact O-OG1 3.33Å
217L98.1Very high98.5Very high72 Ų7235.6 Ų35.638%0.37717%0.173SC..Hα-helixtrans-66.3-52.7-173.417767.5000112.6H215 A219 T220 V221 L277H215-L217 PolarHBondContact O-N 3.38Å; L217-A219 VanDerWaalsContact C-N 3.3Å; L217-A219 PolarHBondContact O-N 3.22Å; L217-T220 WeakPolarHBondContact O-CB 3.33Å; L217-T220 PolarHBondContact O-N 3.12Å; L217-V221 HydrophobicContact CD1-CG2 4.33Å; L217-V221 WeakPolarHBondContact O-CG2 3.21Å; L217-V221 PolarHBondContact O-N 2.73Å; L217-L277 HydrophobicContact CD1-CD1 4.09Å; L217-L277 HydrophobicContact CD1-CD2 4.46Å; L217-L277 HydrophobicContact CD1-CG 3.84Å
218P98.7Very high98.6Very high29 Ų2934.7 Ų34.719%0.18817%0.168CC..Hα-helixtrans-60.4-35.1176.3-25.434.7000114.2H215 V221 W222 P271 R274H215-P218 HydrophobicContact CB-CG 4.38Å; H215-P218 WeakPolarHBondContact O-CD 3.46Å; P218-V221 PolarHBondContact O-N 3.42Å; P218-W222 PolarHBondContact O-N 2.91Å; P218-P271 HydrophobicContact CB-CB 3.67Å; P218-P271 HydrophobicContact CG-CB 4.14Å; P218-R274 VanDerWaalsContact C-NH1 3.3Å; P218-R274 VanDerWaalsContact O-CD 3.31Å; P218-R274 WeakPolarHBondContact O-CD 3.39Å; P218-R274 PolarHBondContact O-NH1 3.35Å
219A98.8Very high98.6Very high10 Ų1034.7 Ų34.78%0.08317%0.169CC..Hα-helixtrans-68.8-38.5176.200000112.1P205 Y214 H215 A216 L217 V221 W222 S223P205-A219 HydrophobicContact CG-CB 3.86Å; Y214-A219 HydrophobicContact CD2-CB 3.47Å; Y214-A219 VanDerWaalsContact CD2-CB 3.47Å; Y214-A219 HydrophobicContact CE2-CB 4.23Å; Y214-A219 HydrophobicContact CG-CB 4.1Å; H215-A219 WeakPolarHBondContact O-CB 3.4Å; H215-A219 PolarHBondContact O-N 2.75Å; A216-A219 PolarHBondContact O-N 3.17Å; L217-A219 VanDerWaalsContact C-N 3.3Å; L217-A219 PolarHBondContact O-N 3.22Å; A219-V221 VanDerWaalsContact C-N 3.34Å; A219-W222 WeakPolarHBondContact O-CB 3.26Å; A219-W222 PolarHBondContact O-N 2.98Å; A219-S223 PolarHBondContact O-N 3.19Å; A219-S223 PolarHBondContact O-OG 3.31Å
220T98.8Very high98.6Very high6 Ų634.2 Ų34.24%0.03717%0.166CC..Hα-helixtrans-63.3-41.9174.1-58.80000111I151 A216 L217 W222 S223 L224I151-T220 HydrophobicContact CD1-CG2 4.3Å; I151-T220 HydrophobicContact CG2-CG2 3.52Å; A216-T220 WeakPolarHBondContact O-CB 3.37Å; A216-T220 PolarHBondContact O-N 2.55Å; A216-T220 PolarHBondContact O-OG1 3.33Å; L217-T220 WeakPolarHBondContact O-CB 3.33Å; L217-T220 PolarHBondContact O-N 3.12Å; T220-W222 VanDerWaalsContact C-N 3.33Å; T220-W222 PolarHBondContact O-N 2.72Å; T220-S223 WeakPolarHBondContact CA-OG 3.19Å; T220-S223 PolarHBondContact O-N 3.23Å; T220-S223 PolarHBondContact O-OG 3.11Å; T220-L224 HydrophobicContact CG2-CD1 4.32Å; T220-L224 WeakPolarHBondContact O-CB 3.41Å; T220-L224 WeakPolarHBondContact O-CG 3.1Å; T220-L224 PolarHBondContact O-N 2.79Å
221V98.9Very high98.6Very high1 Ų131 Ų311%0.00614%0.144CC..Hα-helixtrans-66.1-36.7176.8173.30000111.8L217 P218 A219 L224 G225 C266 R274 P275 L277 I280L217-V221 HydrophobicContact CD1-CG2 4.33Å; L217-V221 WeakPolarHBondContact O-CG2 3.21Å; L217-V221 PolarHBondContact O-N 2.73Å; P218-V221 PolarHBondContact O-N 3.42Å; A219-V221 VanDerWaalsContact C-N 3.34Å; V221-L224 WeakPolarHBondContact O-CB 3.14Å; V221-L224 PolarHBondContact O-N 3.13Å; V221-G225 PolarHBondContact O-N 2.66Å; V221-C266 HydrophobicContact CG1-CB 4.07Å; V221-R274 HydrophobicContact CB-CB 4.33Å; V221-R274 HydrophobicContact CG1-CB 3.77Å; V221-R274 HydrophobicContact CG1-CG 4.48Å; V221-P275 HydrophobicContact CG1-CG 4.14Å; V221-P275 VanDerWaalsContact CG2-O 3.23Å; V221-P275 WeakPolarHBondContact CG2-O 3.43Å; V221-L277 HydrophobicContact CG2-CD2 4.22Å; V221-I280 HydrophobicContact CG1-CD1 4.04Å; V221-I280 HydrophobicContact CG2-CD1 4.22Å
222W98.9Very high98.7Very high0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-60-53.5172.9177.4-84.9000111.6Y203 S204 P205 P206 P218 A219 T220 L224 G225 I226 F238 I244 A247 L267Y203-W222 VanDerWaalsContact O-CD1 3.31Å; S204-W222 PolarHBondContact O-NE1 3.01Å; P205-W222 HydrophobicContact CB-CB 3.9Å; P205-W222 HydrophobicContact CB-CD2 4.04Å; P205-W222 HydrophobicContact CB-CG 3.66Å; P206-W222 VanDerWaalsContact CD-CH2 3.49Å; P206-W222 VanDerWaalsContact CD-CZ3 3.43Å; P206-W222 HydrophobicContact CG-CE3 4.26Å; P206-W222 HydrophobicContact CG-CH2 3.94Å; P206-W222 HydrophobicContact CG-CZ3 3.78Å; P218-W222 PolarHBondContact O-N 2.91Å; A219-W222 WeakPolarHBondContact O-CB 3.26Å; A219-W222 PolarHBondContact O-N 2.98Å; T220-W222 VanDerWaalsContact C-N 3.33Å; T220-W222 PolarHBondContact O-N 2.72Å; W222-L224 VanDerWaalsContact C-N 3.27Å; W222-L224 PolarHBondContact O-N 3.46Å; W222-G225 WeakPolarHBondContact O-CA 3.4Å; W222-G225 PolarHBondContact O-N 3.48Å; W222-I226 HydrophobicContact CZ2-CD1 4.49Å; W222-I226 PolarHBondContact O-N 3.1Å; W222-F238 AromaticContact CH2-CE2 3.97Å; W222-F238 HydrophobicContact CH2-CE2 3.97Å; W222-F238 HydrophobicContact CZ2-CD2 4.03Å; W222-F238 AromaticContact CZ2-CE2 3.61Å; W222-F238 HydrophobicContact CZ2-CE2 3.61Å; W222-I244 HydrophobicContact CZ2-CG2 3.88Å; W222-A247 HydrophobicContact CH2-CB 3.92Å; W222-A247 HydrophobicContact CZ3-CB 4.42Å; W222-L267 HydrophobicContact CD2-CD2 3.69Å; W222-L267 HydrophobicContact CE3-CB 4.37Å; W222-L267 HydrophobicContact CE3-CD2 3.9Å; W222-L267 HydrophobicContact CG-CD2 4.09Å; W222-L267 HydrophobicContact CH2-CB 4.49Å; W222-L267 HydrophobicContact CH2-CD2 4.4Å; W222-L267 HydrophobicContact CZ2-CD2 4.2Å; W222-L267 HydrophobicContact CZ3-CB 4.15Å; W222-L267 HydrophobicContact CZ3-CD2 4.27Å; W222-L267 VanDerWaalsContact CZ3-O 3.24Å; W222-L267 WeakPolarHBondContact CZ3-O 3.46Å; W222-L267 VanDerWaalsContact O-CD2 3.23Å; W222-L267 WeakPolarHBondContact O-CD2 3.27Å
223S98.9Very high98.7Very high9 Ų918 Ų186%0.0639%0.093CC..Hα-helixtrans-60.7-33.9178.552.40000113.1A219 T220 G225 I226 L227A219-S223 PolarHBondContact O-N 3.19Å; A219-S223 PolarHBondContact O-OG 3.31Å; T220-S223 WeakPolarHBondContact CA-OG 3.19Å; T220-S223 PolarHBondContact O-N 3.23Å; T220-S223 PolarHBondContact O-OG 3.11Å; S223-G225 VanDerWaalsContact C-N 3.35Å; S223-I226 PolarHBondContact O-N 3.06Å; S223-L227 WeakPolarHBondContact O-CB 3.46Å; S223-L227 PolarHBondContact O-N 2.92Å
224L98.9Very high98.7Very high0 Ų014.8 Ų14.80%09%0.086CC..Hα-helixtrans-62.7-38.3169.4-80.2168.2000112.9F144 V147 V148 I151 I164 T220 V221 W222 L227 L228 L277 I280F144-L224 HydrophobicContact CD2-CD2 4.32Å; F144-L224 HydrophobicContact CE2-CB 3.93Å; F144-L224 HydrophobicContact CE2-CD2 3.6Å; F144-L224 HydrophobicContact CE2-CG 4.37Å; F144-L224 VanDerWaalsContact CE2-O 3.28Å; F144-L224 WeakPolarHBondContact CE2-O 3.02Å; F144-L224 HydrophobicContact CZ-CB 4.09Å; F144-L224 HydrophobicContact CZ-CD2 4.21Å; V147-L224 HydrophobicContact CG1-CD2 3.98Å; V148-L224 HydrophobicContact CG2-CD1 4.15Å; V148-L224 HydrophobicContact CG2-CD2 3.97Å; I151-L224 HydrophobicContact CD1-CD1 3.97Å; I151-L224 HydrophobicContact CD1-CD2 3.68Å; I151-L224 HydrophobicContact CD1-CG 3.97Å; I164-L224 HydrophobicContact CG2-CD2 4.34Å; T220-L224 HydrophobicContact CG2-CD1 4.32Å; T220-L224 WeakPolarHBondContact O-CB 3.41Å; T220-L224 WeakPolarHBondContact O-CG 3.1Å; T220-L224 PolarHBondContact O-N 2.79Å; V221-L224 WeakPolarHBondContact O-CB 3.14Å; V221-L224 PolarHBondContact O-N 3.13Å; W222-L224 VanDerWaalsContact C-N 3.27Å; W222-L224 PolarHBondContact O-N 3.46Å; L224-L227 PolarHBondContact O-N 2.8Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 PolarHBondContact O-N 3.16Å; L224-L277 HydrophobicContact CD1-CD2 3.6Å; L224-I280 HydrophobicContact CD1-CD1 4.39Å
225G98.9Very high98.7Very high0 Ų018.9 Ų18.90%011%0.108CC..Hα-helixtrans-62.8-41.5173.900000112.7V221 W222 S223 Y229V221-G225 PolarHBondContact O-N 2.66Å; W222-G225 WeakPolarHBondContact O-CA 3.4Å; W222-G225 PolarHBondContact O-N 3.48Å; S223-G225 VanDerWaalsContact C-N 3.35Å; G225-Y229 WeakPolarHBondContact O-CB 3.1Å; G225-Y229 PolarHBondContact O-N 3.25Å
226I98.9Very high98.6Very high0 Ų016.4 Ų16.40%010%0.098CC..Hα-helixtrans-62.9-49.5174.7-57.1-61.5000110Y203 W222 S223 L228 Y229 D230 I236 P237 F238 L267Y203-I226 HydrophobicContact CD1-CB 3.67Å; Y203-I226 HydrophobicContact CD1-CG1 4.41Å; Y203-I226 HydrophobicContact CD1-CG2 3.46Å; Y203-I226 VanDerWaalsContact CD1-CG2 3.46Å; Y203-I226 HydrophobicContact CD2-CG2 4.37Å; Y203-I226 HydrophobicContact CE1-CB 3.8Å; Y203-I226 HydrophobicContact CE1-CG2 3.32Å; Y203-I226 HydrophobicContact CE2-CG2 4.25Å; Y203-I226 HydrophobicContact CG-CB 4.46Å; Y203-I226 HydrophobicContact CG-CG2 4Å; W222-I226 HydrophobicContact CZ2-CD1 4.49Å; W222-I226 PolarHBondContact O-N 3.1Å; S223-I226 PolarHBondContact O-N 3.06Å; I226-L228 VanDerWaalsContact C-N 3.35Å; I226-L228 PolarHBondContact O-N 2.98Å; I226-Y229 WeakPolarHBondContact O-CB 3.26Å; I226-Y229 PolarHBondContact O-N 3.24Å; I226-D230 WeakPolarHBondContact O-CB 3.47Å; I226-D230 PolarHBondContact O-N 2.9Å; I226-I236 HydrophobicContact CG2-CB 4.33Å; I226-I236 HydrophobicContact CG2-CG2 4Å; I226-P237 HydrophobicContact CD1-CG 3.54Å; I226-F238 HydrophobicContact CD1-CD2 3.59Å; I226-F238 HydrophobicContact CD1-CE2 3.63Å; I226-L267 HydrophobicContact CD1-CD1 4.03Å; I226-L267 HydrophobicContact CD1-CD2 3.56Å; I226-L267 HydrophobicContact CD1-CG 4.48Å; I226-L267 HydrophobicContact CG1-CD2 3.87Å
227L98.9Very high98.7Very high0 Ų017.3 Ų17.30%010%0.103CC..Hα-helixtrans-58.9-43.5178.7178.562.8000112.4L125 V147 I164 D166 I169 Y203 S223 L224 D230 M231L125-L227 HydrophobicContact CD2-CD1 3.92Å; V147-L227 HydrophobicContact CG1-CD2 4.02Å; I164-L227 HydrophobicContact CG2-CD2 3.9Å; D166-L227 HydrophobicContact CB-CD1 4.06Å; I169-L227 HydrophobicContact CG1-CD2 4.42Å; Y203-L227 HydrophobicContact CE1-CB 4.44Å; S223-L227 WeakPolarHBondContact O-CB 3.46Å; S223-L227 PolarHBondContact O-N 2.92Å; L224-L227 PolarHBondContact O-N 2.8Å; L227-D230 PolarHBondContact O-N 3.36Å; L227-M231 HydrophobicContact CD1-CE 3.93Å; L227-M231 HydrophobicContact CD2-CE 3.96Å; L227-M231 HydrophobicContact CG-CE 3.73Å; L227-M231 VanDerWaalsContact O-CG 3.31Å; L227-M231 WeakPolarHBondContact O-CG 3.23Å; L227-M231 PolarHBondContact O-N 3.23Å
228L98.9Very high98.7Very high0 Ų014 Ų140%09%0.086CC..Hα-helixtrans-66.1-42.3178.617857000111.4F144 L224 I226 D230 M231 V232 L262 I263 W285F144-L228 HydrophobicContact CB-CD1 4.3Å; F144-L228 HydrophobicContact CD1-CD1 4.34Å; F144-L228 HydrophobicContact CD1-CD2 4.22Å; F144-L228 HydrophobicContact CD2-CB 3.92Å; F144-L228 HydrophobicContact CD2-CD1 4.31Å; F144-L228 HydrophobicContact CE1-CD2 3.95Å; F144-L228 HydrophobicContact CE2-CB 3.73Å; F144-L228 HydrophobicContact CG-CB 4.46Å; F144-L228 HydrophobicContact CG-CD1 4.07Å; F144-L228 HydrophobicContact CZ-CB 4.1Å; F144-L228 HydrophobicContact CZ-CD2 4.12Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 PolarHBondContact O-N 3.16Å; I226-L228 VanDerWaalsContact C-N 3.35Å; I226-L228 PolarHBondContact O-N 2.98Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-M231 PolarHBondContact O-N 2.93Å; L228-V232 HydrophobicContact CD1-CG1 4.33Å; L228-V232 WeakPolarHBondContact O-CG2 3.44Å; L228-V232 PolarHBondContact O-N 2.89Å; L228-L262 HydrophobicContact CD2-CD2 3.84Å; L228-L262 HydrophobicContact CD2-CG 4.08Å; L228-I263 HydrophobicContact CB-CG1 4.22Å; L228-I263 HydrophobicContact CD2-CD1 4.33Å; L228-I263 HydrophobicContact CD2-CG1 3.6Å; L228-I263 HydrophobicContact CG-CD1 4.01Å; L228-I263 HydrophobicContact CG-CG1 3.7Å; L228-W285 HydrophobicContact CD1-CH2 3.47Å; L228-W285 VanDerWaalsContact CD1-CH2 3.47Å; L228-W285 HydrophobicContact CD1-CZ2 4.34Å; L228-W285 HydrophobicContact CD1-CZ3 3.75Å; L228-W285 HydrophobicContact CD2-CE3 4.48Å; L228-W285 HydrophobicContact CD2-CH2 4.49Å; L228-W285 HydrophobicContact CD2-CZ3 4.05Å
229Y98.9Very high98.6Very high26 Ų2619.1 Ų19.110%0.10211%0.107CC..Hα-helixtrans-57.8-49.5174.3-178.2-78.4000110.4G225 I226 M231 V232 C233 D235 P237 L249 H250 F251 I263G225-Y229 WeakPolarHBondContact O-CB 3.1Å; G225-Y229 PolarHBondContact O-N 3.25Å; I226-Y229 WeakPolarHBondContact O-CB 3.26Å; I226-Y229 PolarHBondContact O-N 3.24Å; Y229-M231 PolarHBondContact O-N 3.43Å; Y229-V232 PolarHBondContact O-N 3.3Å; Y229-V232 VanDerWaalsContact O-N 3.13Å; Y229-C233 HydrophobicContact CD1-CB 3.84Å; Y229-C233 HydrophobicContact CE1-CB 3.54Å; Y229-C233 HydrophobicContact CG-CB 4.47Å; Y229-C233 VanDerWaalsContact CZ-SG 3.58Å; Y229-C233 WeakPolarHBondContact O-CB 3.48Å; Y229-C233 PolarHBondContact O-N 3.03Å; Y229-D235 WeakPolarHBondContact CD1-O 3.36Å; Y229-D235 WeakPolarHBondContact CE1-O 3.31Å; Y229-P237 HydrophobicContact CD1-CB 3.74Å; Y229-P237 HydrophobicContact CD1-CG 3.94Å; Y229-P237 HydrophobicContact CD2-CB 4Å; Y229-P237 HydrophobicContact CD2-CG 4.45Å; Y229-P237 HydrophobicContact CE1-CB 3.68Å; Y229-P237 HydrophobicContact CE1-CG 4.36Å; Y229-P237 HydrophobicContact CE2-CB 3.94Å; Y229-P237 HydrophobicContact CG-CB 3.91Å; Y229-P237 HydrophobicContact CG-CG 3.99Å; Y229-L249 HydrophobicContact CD2-CD2 4.08Å; Y229-L249 HydrophobicContact CE2-CD2 4.17Å; Y229-H250 WeakPolarHBondContact CE2-O 3.35Å; Y229-H250 PolarHBondContact OH-O 2.97Å; Y229-F251 HydrophobicContact CD2-CD1 4.14Å; Y229-F251 AromaticContact CD2-CE1 3.61Å; Y229-F251 HydrophobicContact CD2-CE1 3.61Å; Y229-F251 HydrophobicContact CD2-CZ 4.28Å; Y229-F251 AromaticContact CE2-CD1 3.97Å; Y229-F251 HydrophobicContact CE2-CD1 3.97Å; Y229-F251 AromaticContact CE2-CE1 3.84Å; Y229-F251 HydrophobicContact CE2-CE1 3.84Å; Y229-F251 HydrophobicContact CE2-CZ 4.47Å; Y229-I263 HydrophobicContact CD2-CG2 4.22Å
230D98.8Very high98.6Very high6 Ų626 Ų263%0.03213%0.131CC..Hα-helixtrans-56-46.1177.8176.749000112.4I129 I226 L227 L228 V232 G234 D235 I236I129-D230 WeakPolarHBondContact CD1-OD2 3.35Å; I226-D230 WeakPolarHBondContact O-CB 3.47Å; I226-D230 PolarHBondContact O-N 2.9Å; L227-D230 PolarHBondContact O-N 3.36Å; L228-D230 VanDerWaalsContact C-N 3.34Å; D230-V232 VanDerWaalsContact C-N 3.34Å; D230-V232 PolarHBondContact O-N 3.49Å; D230-G234 WeakPolarHBondContact O-CA 3.34Å; D230-G234 PolarHBondContact O-N 3.05Å; D230-D235 WeakPolarHBondContact CA-O 3.5Å; D230-D235 WeakPolarHBondContact OD1-CA 3.19Å; D230-D235 PolarHBondContact OD1-N 2.98Å; D230-I236 HydrophobicContact CB-CG2 4.29Å
231M98.8Very high98.6Very high0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans-58.8-38.5176.1-69.4174.8-178.700114.1L125 I129 L135 S140 F143 F144 L227 L228 Y229L125-M231 HydrophobicContact CD2-CE 3.32Å; L125-M231 HydrophobicContact CD2-CG 4.11Å; I129-M231 HydrophobicContact CD1-CG 4.31Å; L135-M231 HydrophobicContact CD1-CB 4.4Å; L135-M231 HydrophobicContact CD1-CG 4.39Å; L135-M231 PolarHBondContact N-O 2.7Å; S140-M231 WeakPolarHBondContact OG-CB 3.38Å; S140-M231 PolarHBondContact OG-O 3.2Å; F143-M231 HydrophobicContact CB-CE 4.13Å; F143-M231 HydrophobicContact CB-SD 4.5Å; F144-M231 HydrophobicContact CB-SD 4.18Å; L227-M231 HydrophobicContact CD1-CE 3.93Å; L227-M231 HydrophobicContact CD2-CE 3.96Å; L227-M231 HydrophobicContact CG-CE 3.73Å; L227-M231 VanDerWaalsContact O-CG 3.31Å; L227-M231 WeakPolarHBondContact O-CG 3.23Å; L227-M231 PolarHBondContact O-N 3.23Å; L228-M231 PolarHBondContact O-N 2.93Å; Y229-M231 PolarHBondContact O-N 3.43Å
232V98.6Very high98.5Very high2 Ų233.5 Ų33.51%0.01217%0.168CC..Hα-helixtrans-95.5-17.9-175.2-59.30000114.3P134 E137 L228 Y229 D230 H254 V255 I263P134-V232 WeakPolarHBondContact CB-O 3.21Å; E137-V232 HydrophobicContact CG-CG1 4.38Å; L228-V232 HydrophobicContact CD1-CG1 4.33Å; L228-V232 WeakPolarHBondContact O-CG2 3.44Å; L228-V232 PolarHBondContact O-N 2.89Å; Y229-V232 PolarHBondContact O-N 3.3Å; Y229-V232 VanDerWaalsContact O-N 3.13Å; D230-V232 VanDerWaalsContact C-N 3.34Å; D230-V232 PolarHBondContact O-N 3.49Å; V232-H254 PolarHBondContact O-NE2 2.84Å; V232-V255 HydrophobicContact CB-CG2 4.35Å; V232-V255 HydrophobicContact CG2-CG1 4.04Å; V232-V255 HydrophobicContact CG2-CG2 4.11Å; V232-I263 HydrophobicContact CG2-CD1 3.88Å
233C98.4Very high98.5Very high21 Ų2135.8 Ų35.814%0.14218%0.179CC..Hα-helixtrans-108-19-179.8-64.60000113P134 Y229 D235 P252P134-C233 WeakPolarHBondContact CG-O 3.29Å; Y229-C233 HydrophobicContact CD1-CB 3.84Å; Y229-C233 HydrophobicContact CE1-CB 3.54Å; Y229-C233 HydrophobicContact CG-CB 4.47Å; Y229-C233 VanDerWaalsContact CZ-SG 3.58Å; Y229-C233 WeakPolarHBondContact O-CB 3.48Å; Y229-C233 PolarHBondContact O-N 3.03Å; C233-D235 VanDerWaalsContact C-N 3.27Å; C233-P252 VanDerWaalsContact SG-CD 3.58Å
234G97.9Very high98.5Very high28 Ų2835.4 Ų35.429%0.28918%0.176SC..SBendtrans77.18.8-17800000114.7D230D230-G234 WeakPolarHBondContact O-CA 3.34Å; D230-G234 PolarHBondContact O-N 3.05Å
235D97.9Very high98.5Very high93 Ų9338.6 Ų38.650%0.49719%0.193SC..SBendtrans-159.9160.6176.1-155.3-10.5000109.7Y229 D230 C233Y229-D235 WeakPolarHBondContact CD1-O 3.36Å; Y229-D235 WeakPolarHBondContact CE1-O 3.31Å; D230-D235 WeakPolarHBondContact CA-O 3.5Å; D230-D235 WeakPolarHBondContact OD1-CA 3.19Å; D230-D235 PolarHBondContact OD1-N 2.98Å; C233-D235 VanDerWaalsContact C-N 3.27Å
236I98.4Very high98.4Very high36 Ų3643.8 Ų43.819%0.18522%0.217CC..  trans-72.8152.7178.559.3174.6000111.9V202 Y203 I226 D230 F238V202-I236 HydrophobicContact CB-CD1 3.87Å; V202-I236 HydrophobicContact CG1-CD1 4.36Å; V202-I236 HydrophobicContact CG2-CD1 3.61Å; Y203-I236 HydrophobicContact CE2-CG2 4.04Å; I226-I236 HydrophobicContact CG2-CB 4.33Å; I226-I236 HydrophobicContact CG2-CG2 4Å; D230-I236 HydrophobicContact CB-CG2 4.29Å; I236-F238 WeakPolarHBondContact CD1-O 3.46Å
237P98.4Very high98.3Very high24 Ų2444.6 Ų44.616%0.15622%0.223CC..SBendtrans-79.4-20.7-176.529.4-30.7000114.2I226 Y229 L249 L267I226-P237 HydrophobicContact CD1-CG 3.54Å; Y229-P237 HydrophobicContact CD1-CB 3.74Å; Y229-P237 HydrophobicContact CD1-CG 3.94Å; Y229-P237 HydrophobicContact CD2-CB 4Å; Y229-P237 HydrophobicContact CD2-CG 4.45Å; Y229-P237 HydrophobicContact CE1-CB 3.68Å; Y229-P237 HydrophobicContact CE1-CG 4.36Å; Y229-P237 HydrophobicContact CE2-CB 3.94Å; Y229-P237 HydrophobicContact CG-CB 3.91Å; Y229-P237 HydrophobicContact CG-CG 3.99Å; P237-L249 HydrophobicContact CB-CD2 3.61Å; P237-L249 HydrophobicContact CG-CD2 4.19Å; P237-L267 HydrophobicContact CG-CD1 4.27Å
238F98.6Very high98.3Very high3 Ų350.5 Ų50.51%0.01325%0.251CS..  trans-137.8133.2-171.8-42.8-53.7000110.9W222 I226 I236 E243 I244 A247 L249 L267W222-F238 AromaticContact CH2-CE2 3.97Å; W222-F238 HydrophobicContact CH2-CE2 3.97Å; W222-F238 HydrophobicContact CZ2-CD2 4.03Å; W222-F238 AromaticContact CZ2-CE2 3.61Å; W222-F238 HydrophobicContact CZ2-CE2 3.61Å; I226-F238 HydrophobicContact CD1-CD2 3.59Å; I226-F238 HydrophobicContact CD1-CE2 3.63Å; I236-F238 WeakPolarHBondContact CD1-O 3.46Å; F238-E243 HydrophobicContact CB-CB 3.97Å; F238-E243 HydrophobicContact CD1-CB 3.98Å; F238-E243 HydrophobicContact CG-CB 4.34Å; F238-I244 HydrophobicContact CB-CG1 3.71Å; F238-I244 HydrophobicContact CD2-CG1 4.22Å; F238-I244 HydrophobicContact CG-CG1 4.24Å; F238-A247 HydrophobicContact CZ-CB 4.36Å; F238-L249 HydrophobicContact CE1-CD2 3.99Å; F238-L249 HydrophobicContact CE1-CG 4.49Å; F238-L249 HydrophobicContact CZ-CD2 3.65Å; F238-L249 HydrophobicContact CZ-CG 4.16Å; F238-L267 HydrophobicContact CE2-CD1 4.18Å; F238-L267 HydrophobicContact CZ-CD1 4.34Å
239E97.4Very high98.2Very high137 Ų13751.7 Ų51.764%0.6426%0.257SS*.SBendtrans-112-25.5176.6-63.9-175.3164.700112.1E243E239-E243 PolarHBondContact N-OE2 3.06Å
240R98.2Very high98.2Very high153 Ų15356.4 Ų56.458%0.57728%0.28SS*.SBendtrans-119.3149.3-173.3-57.9177.4-66.3160.42.6111.4Q242 E243 I244R240-Q242 PolarHBondContact O-N 3.24Å; R240-Q242 VanDerWaalsContact O-N 3.09Å; R240-E243 HydrophobicContact CB-CG 4.44Å; R240-E243 WeakPolarHBondContact CB-OE2 3.23Å; R240-E243 IonicContact CZ-OE1 3.32Å; R240-E243 PolarHBondContact N-OE2 3.37Å; R240-E243 IonicContact NE-OE1 3.05Å; R240-E243 PolarHBondContact NE-OE1 2.98Å; R240-E243 IonicContact NE-OE2 3.53Å; R240-E243 IonicContact NH2-OE1 2.73Å; R240-E243 PolarHBondContact NH2-OE1 3.39Å; R240-E243 WeakPolarHBondContact O-CB 3.27Å; R240-E243 PolarHBondContact O-N 3.32Å; R240-I244 PolarHBondContact O-N 2.78Å; R240-I244 VanDerWaalsContact O-N 3.14Å
241D98.3Very high98.1Very high62 Ų6258.2 Ų58.233%0.33229%0.287SS..Hα-helixtrans-50.4-39176.8-71.41.8000113.1R201 I209 E243 I244 L245R201-D241 IonicContact CZ-OD1 3.9Å; R201-D241 IonicContact CZ-OD2 3.24Å; R201-D241 IonicContact NE-OD1 2.68Å; R201-D241 PolarHBondContact NE-OD1 3.07Å; R201-D241 IonicContact NE-OD2 3.02Å; R201-D241 VanDerWaalsContact NH2-CG 3.32Å; R201-D241 IonicContact NH2-OD1 3.99Å; R201-D241 PolarHBondContact NH2-OD1 2.91Å; R201-D241 IonicContact NH2-OD2 2.71Å; R201-D241 PolarHBondContact NH2-OD2 3.27Å; I209-D241 HydrophobicContact CG2-CB 3.84Å; D241-E243 VanDerWaalsContact C-N 3.34Å; D241-E243 PolarHBondContact O-N 3Å; D241-I244 PolarHBondContact O-N 3.1Å; D241-L245 VanDerWaalsContact O-CG 3.23Å; D241-L245 WeakPolarHBondContact O-CG 3.37Å; D241-L245 PolarHBondContact O-N 3.47Å
242Q98.2Very high97.9Very high104 Ų10460.4 Ų60.449%0.48630%0.302SS..Hα-helixtrans-63.4-40.1179.2-170.960.439.500112.1R240 L245 E246R240-Q242 PolarHBondContact O-N 3.24Å; R240-Q242 VanDerWaalsContact O-N 3.09Å; Q242-L245 PolarHBondContact O-N 2.97Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.36Å; Q242-E246 PolarHBondContact NE2-OE1 3.48Å; Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 VanDerWaalsContact O-CG 3.31Å; Q242-E246 WeakPolarHBondContact O-CG 3.5Å; Q242-E246 PolarHBondContact O-N 3.06Å
243E98.5Very high97.8Very high48 Ų4865.7 Ų65.722%0.22435%0.346CS..Hα-helixtrans-69-38.5178.6-65.6160.9164.900110.8F238 E239 R240 D241 L245 E246 A247F238-E243 HydrophobicContact CB-CB 3.97Å; F238-E243 HydrophobicContact CD1-CB 3.98Å; F238-E243 HydrophobicContact CG-CB 4.34Å; E239-E243 PolarHBondContact N-OE2 3.06Å; R240-E243 HydrophobicContact CB-CG 4.44Å; R240-E243 WeakPolarHBondContact CB-OE2 3.23Å; R240-E243 IonicContact CZ-OE1 3.32Å; R240-E243 PolarHBondContact N-OE2 3.37Å; R240-E243 IonicContact NE-OE1 3.05Å; R240-E243 PolarHBondContact NE-OE1 2.98Å; R240-E243 IonicContact NE-OE2 3.53Å; R240-E243 IonicContact NH2-OE1 2.73Å; R240-E243 PolarHBondContact NH2-OE1 3.39Å; R240-E243 WeakPolarHBondContact O-CB 3.27Å; R240-E243 PolarHBondContact O-N 3.32Å; D241-E243 VanDerWaalsContact C-N 3.34Å; D241-E243 PolarHBondContact O-N 3Å; E243-L245 VanDerWaalsContact C-N 3.32Å; E243-L245 PolarHBondContact O-N 3.29Å; E243-E246 PolarHBondContact O-N 3.42Å; E243-A247 WeakPolarHBondContact O-CA 3.16Å; E243-A247 PolarHBondContact O-N 3.03Å
244I98.6Very high97.6Very high1 Ų170.2 Ų70.21%0.00536%0.364CS..Hα-helixtrans-61.4-42.6173.6-61.5170.8000110.6S204 P206 I209 W222 F238 R240 D241S204-I244 WeakPolarHBondContact O-CG2 3.28Å; P206-I244 HydrophobicContact CB-CG2 4.43Å; I209-I244 HydrophobicContact CD1-CD1 4.31Å; I209-I244 HydrophobicContact CG1-CB 4.41Å; I209-I244 HydrophobicContact CG1-CD1 4.36Å; I209-I244 HydrophobicContact CG1-CG2 3.82Å; W222-I244 HydrophobicContact CZ2-CG2 3.88Å; F238-I244 HydrophobicContact CB-CG1 3.71Å; F238-I244 HydrophobicContact CD2-CG1 4.22Å; F238-I244 HydrophobicContact CG-CG1 4.24Å; R240-I244 PolarHBondContact O-N 2.78Å; R240-I244 VanDerWaalsContact O-N 3.14Å; D241-I244 PolarHBondContact O-N 3.1Å
245L98.3Very high97.6Very high67 Ų6769.4 Ų69.435%0.35135%0.354SS..Hα-helixtrans-69.8-36.7179.8-70.1170.7000112.8P206 I209 D241 Q242 E243P206-L245 HydrophobicContact CB-CD2 4.19Å; I209-L245 HydrophobicContact CB-CD2 4.07Å; I209-L245 HydrophobicContact CB-CG 4.44Å; I209-L245 HydrophobicContact CG2-CD1 3.99Å; I209-L245 HydrophobicContact CG2-CD2 3.92Å; I209-L245 HydrophobicContact CG2-CG 3.87Å; D241-L245 VanDerWaalsContact O-CG 3.23Å; D241-L245 WeakPolarHBondContact O-CG 3.37Å; D241-L245 PolarHBondContact O-N 3.47Å; Q242-L245 PolarHBondContact O-N 2.97Å; E243-L245 VanDerWaalsContact C-N 3.32Å; E243-L245 PolarHBondContact O-N 3.29Å
246E97.6Very high97.6Very high109 Ų10966.5 Ų66.551%0.50934%0.341SS..Hα-helixtrans-76.8-32.9177.7-73168.2179.200112.2Q242 E243 E248Q242-E246 WeakPolarHBondContact CG-OE1 3.36Å; Q242-E246 PolarHBondContact NE2-OE1 3.48Å; Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 VanDerWaalsContact O-CG 3.31Å; Q242-E246 WeakPolarHBondContact O-CG 3.5Å; Q242-E246 PolarHBondContact O-N 3.06Å; E243-E246 PolarHBondContact O-N 3.42Å; E246-E248 PolarHBondContact O-N 3.31Å
247A97.4Very high97.5Very high16 Ų1669.9 Ų69.913%0.13237%0.365CS..THydrogen-bonded Turntrans52.334.5-177.600000113.6W222 F238 E243 L249 P269W222-A247 HydrophobicContact CH2-CB 3.92Å; W222-A247 HydrophobicContact CZ3-CB 4.42Å; F238-A247 HydrophobicContact CZ-CB 4.36Å; E243-A247 WeakPolarHBondContact O-CA 3.16Å; E243-A247 PolarHBondContact O-N 3.03Å; A247-L249 PolarHBondContact O-N 3.46Å; A247-P269 HydrophobicContact CB-CG 3.8Å
248E97.8Very high97.5Very high125 Ų12572.9 Ų72.958%0.58438%0.38SS*.  trans-79.6117.7177.9-172.4172.1-17200110.6E246 H250E246-E248 PolarHBondContact O-N 3.31Å; E248-H250 IonicContact OE1-CE1 3.32Å; E248-H250 IonicContact OE1-NE2 2.83Å
249L97.9Very high97.5Very high24 Ų2472.7 Ų72.713%0.12638%0.379CS..  trans-105.8129-173.9-70163000111.9Y229 P237 F238 A247 F251 I263 R264 L267Y229-L249 HydrophobicContact CD2-CD2 4.08Å; Y229-L249 HydrophobicContact CE2-CD2 4.17Å; P237-L249 HydrophobicContact CB-CD2 3.61Å; P237-L249 HydrophobicContact CG-CD2 4.19Å; F238-L249 HydrophobicContact CE1-CD2 3.99Å; F238-L249 HydrophobicContact CE1-CG 4.49Å; F238-L249 HydrophobicContact CZ-CD2 3.65Å; F238-L249 HydrophobicContact CZ-CG 4.16Å; A247-L249 PolarHBondContact O-N 3.46Å; L249-F251 HydrophobicContact CB-CD2 4.35Å; L249-F251 HydrophobicContact CB-CE2 3.56Å; L249-F251 HydrophobicContact CB-CZ 3.91Å; L249-F251 HydrophobicContact CD1-CE2 4.32Å; L249-F251 HydrophobicContact CD1-CZ 4.07Å; L249-F251 HydrophobicContact CG-CE2 4.49Å; L249-F251 HydrophobicContact CG-CZ 4.42Å; L249-I263 HydrophobicContact CD1-CG2 4.25Å; L249-R264 HydrophobicContact CD1-CG 3.82Å; L249-L267 HydrophobicContact CD1-CB 4.12Å; L249-L267 HydrophobicContact CD1-CD1 3.99Å; L249-L267 HydrophobicContact CD2-CD1 3.69Å; L249-L267 HydrophobicContact CG-CD1 4.41Å
250H97.1Very high97.6Very high125 Ų12566.6 Ų66.658%0.57935%0.352SS*.  trans-110.4126.6174.3-63.491.2000109.1Y229 E248Y229-H250 WeakPolarHBondContact CE2-O 3.35Å; Y229-H250 PolarHBondContact OH-O 2.97Å; E248-H250 IonicContact OE1-CE1 3.32Å; E248-H250 IonicContact OE1-NE2 2.83Å
251F97.8Very high97.6Very high44 Ų4461.4 Ų61.419%0.19334%0.341CS..  trans-114.2135.6-178.4-66.2-82.8000110.7Y229 L249 V255 C260 I263 R264Y229-F251 HydrophobicContact CD2-CD1 4.14Å; Y229-F251 AromaticContact CD2-CE1 3.61Å; Y229-F251 HydrophobicContact CD2-CE1 3.61Å; Y229-F251 HydrophobicContact CD2-CZ 4.28Å; Y229-F251 AromaticContact CE2-CD1 3.97Å; Y229-F251 HydrophobicContact CE2-CD1 3.97Å; Y229-F251 AromaticContact CE2-CE1 3.84Å; Y229-F251 HydrophobicContact CE2-CE1 3.84Å; Y229-F251 HydrophobicContact CE2-CZ 4.47Å; L249-F251 HydrophobicContact CB-CD2 4.35Å; L249-F251 HydrophobicContact CB-CE2 3.56Å; L249-F251 HydrophobicContact CB-CZ 3.91Å; L249-F251 HydrophobicContact CD1-CE2 4.32Å; L249-F251 HydrophobicContact CD1-CZ 4.07Å; L249-F251 HydrophobicContact CG-CE2 4.49Å; L249-F251 HydrophobicContact CG-CZ 4.42Å; F251-V255 HydrophobicContact CD1-CG1 4.3Å; F251-C260 HydrophobicContact CD1-CB 4.43Å; F251-C260 HydrophobicContact CD2-CB 4.2Å; F251-C260 HydrophobicContact CE1-CB 4.37Å; F251-C260 HydrophobicContact CE2-CB 4.14Å; F251-C260 HydrophobicContact CG-CB 4.33Å; F251-C260 WeakPolarHBondContact CG-SG 3.38Å; F251-C260 HydrophobicContact CZ-CB 4.22Å; F251-I263 HydrophobicContact CE1-CB 4.13Å; F251-I263 HydrophobicContact CE1-CD1 3.73Å; F251-I263 HydrophobicContact CE1-CG2 3.93Å; F251-I263 HydrophobicContact CZ-CB 4.05Å; F251-I263 HydrophobicContact CZ-CD1 4.49Å; F251-I263 HydrophobicContact CZ-CG2 3.78Å; F251-R264 HydrophobicContact CE2-CG 4.18Å; F251-R264 HydrophobicContact CZ-CG 4.38Å
252P95.3Very high97.6Very high47 Ų4758.4 Ų58.431%0.30533%0.325SS..  trans-58.6150.9165.4-23.834.8000111.7C233 H254 V255C233-P252 VanDerWaalsContact SG-CD 3.58Å; P252-H254 WeakPolarHBondContact CB-CE1 3.47Å; P252-H254 VanDerWaalsContact CB-ND1 3.27Å; P252-H254 WeakPolarHBondContact CB-ND1 3.39Å; P252-H254 PolarHBondContact O-N 2.89Å; P252-V255 HydrophobicContact CB-CG2 4.42Å; P252-V255 HydrophobicContact CG-CG2 4.48Å; P252-V255 PolarHBondContact O-N 3.24Å; P252-V255 VanDerWaalsContact O-N 3.1Å
253A94.7Very high97.6Very high113 Ų11353.5 Ų53.593%0.93430%0.302SS*.THydrogen-bonded Turntrans-63-17.2-178.100000114.3V255A253-V255 VanDerWaalsContact C-N 3.35Å
254H94.5Very high97.7Very high115 Ų11557.5 Ų57.553%0.53232%0.315SS..THydrogen-bonded Turntrans-80.9-12.2178.268.1-99.7000113.8V232 P252V232-H254 PolarHBondContact O-NE2 2.84Å; P252-H254 WeakPolarHBondContact CB-CE1 3.47Å; P252-H254 VanDerWaalsContact CB-ND1 3.27Å; P252-H254 WeakPolarHBondContact CB-ND1 3.39Å; P252-H254 PolarHBondContact O-N 2.89Å
255V97.8Very high97.7Very high11 Ų1162.7 Ų62.77%0.06734%0.335CS..SBendtrans-86.2125.4178.4-172.30000109.4V232 F251 P252 A253 C259V232-V255 HydrophobicContact CB-CG2 4.35Å; V232-V255 HydrophobicContact CG2-CG1 4.04Å; V232-V255 HydrophobicContact CG2-CG2 4.11Å; F251-V255 HydrophobicContact CD1-CG1 4.3Å; P252-V255 HydrophobicContact CB-CG2 4.42Å; P252-V255 HydrophobicContact CG-CG2 4.48Å; P252-V255 PolarHBondContact O-N 3.24Å; P252-V255 VanDerWaalsContact O-N 3.1Å; A253-V255 VanDerWaalsContact C-N 3.35Å; V255-C259 HydrophobicContact CG1-CB 3.8Å
256S97.8Very high97.7Very high32 Ų3259.5 Ų59.522%0.22432%0.318CS..  trans-65.3151.5-175.8720000111.8E137 D258 C259 C260E137-S256 WeakPolarHBondContact OE1-CA 3.34Å; E137-S256 WeakPolarHBondContact OE1-CB 3.42Å; E137-S256 PolarHBondContact OE1-N 3.25Å; E137-S256 PolarHBondContact OE1-OG 3.29Å; E137-S256 WeakPolarHBondContact OE2-CB 3.37Å; E137-S256 PolarHBondContact OE2-OG 2.73Å; S256-D258 PolarHBondContact O-N 2.92Å; S256-C259 PolarHBondContact O-N 3.18Å; S256-C259 WeakPolarHBondContact OG-CB 3.27Å; S256-C259 PolarHBondContact OG-N 3.32Å; S256-C260 PolarHBondContact O-N 2.7Å; S256-C260 PolarHBondContact O-SG 3.24Å
257P97.9Very high97.7Very high108 Ų10854.4 Ų54.470%0.70129%0.294SS*.Hα-helixtrans-55.2-36.5175.4-27.536000113.6C260 A261P257-C260 PolarHBondContact O-N 3.19Å; P257-A261 WeakPolarHBondContact O-CB 3.48Å; P257-A261 PolarHBondContact O-N 3.36Å
258D97.9Very high97.8Very high86 Ų8654.4 Ų54.446%0.4629%0.294SS..Hα-helixtrans-70.3-43-179.3-66.2-21.5000111.4S256 A261 L262 W285S256-D258 PolarHBondContact O-N 2.92Å; D258-A261 WeakPolarHBondContact O-CB 3.43Å; D258-A261 PolarHBondContact O-N 2.7Å; D258-L262 PolarHBondContact O-N 3.46Å; D258-W285 HydrophobicContact CB-CB 4.03Å
259C98.6Very high97.8Very high0 Ų051.9 Ų51.90%029%0.289CS..Hα-helixtrans-61-47.4173.7-167.30000111V255 S256 A261 L262 I263 W285V255-C259 HydrophobicContact CG1-CB 3.8Å; S256-C259 PolarHBondContact O-N 3.18Å; S256-C259 WeakPolarHBondContact OG-CB 3.27Å; S256-C259 PolarHBondContact OG-N 3.32Å; C259-A261 PolarHBondContact O-N 2.95Å; C259-L262 PolarHBondContact O-N 3.19Å; C259-I263 WeakPolarHBondContact O-CG1 3.28Å; C259-I263 PolarHBondContact O-N 3.02Å; C259-W285 HydrophobicContact CB-CD2 4.26Å; C259-W285 HydrophobicContact CB-CG 4.12Å; C259-W285 HydrophobicContact CB-CZ2 4.43Å
260C98.7Very high97.8Very high9 Ų957 Ų576%0.06131%0.31CS..Hα-helixtrans-58.1-38.7176-63.90000111.9F251 S256 P257 R264F251-C260 HydrophobicContact CD1-CB 4.43Å; F251-C260 HydrophobicContact CD2-CB 4.2Å; F251-C260 HydrophobicContact CE1-CB 4.37Å; F251-C260 HydrophobicContact CE2-CB 4.14Å; F251-C260 HydrophobicContact CG-CB 4.33Å; F251-C260 WeakPolarHBondContact CG-SG 3.38Å; F251-C260 HydrophobicContact CZ-CB 4.22Å; S256-C260 PolarHBondContact O-N 2.7Å; S256-C260 PolarHBondContact O-SG 3.24Å; P257-C260 PolarHBondContact O-N 3.19Å; C260-R264 WeakPolarHBondContact O-CB 3.25Å; C260-R264 VanDerWaalsContact O-CG 3.27Å; C260-R264 WeakPolarHBondContact O-CG 3.49Å; C260-R264 PolarHBondContact O-N 3.38Å
261A98.6Very high97.9Very high43 Ų4353.1 Ų53.136%0.35530%0.296SS..Hα-helixtrans-65.6-45.9178.800000111.5P257 D258 C259 R264 R265P257-A261 WeakPolarHBondContact O-CB 3.48Å; P257-A261 PolarHBondContact O-N 3.36Å; D258-A261 WeakPolarHBondContact O-CB 3.43Å; D258-A261 PolarHBondContact O-N 2.7Å; C259-A261 PolarHBondContact O-N 2.95Å; A261-R264 PolarHBondContact O-N 3.42Å; A261-R265 WeakPolarHBondContact O-CG 3.46Å; A261-R265 PolarHBondContact O-N 3.48Å
262L98.8Very high97.9Very high0 Ų055.3 Ų55.30%032%0.317CS..Hα-helixtrans-60.3-49.5175.3176.855.9000111.5F144 L228 D258 C259 R264 R265 C266 I280 D283 W285 M286F144-L262 HydrophobicContact CE1-CD2 4.24Å; L228-L262 HydrophobicContact CD2-CD2 3.84Å; L228-L262 HydrophobicContact CD2-CG 4.08Å; D258-L262 PolarHBondContact O-N 3.46Å; C259-L262 PolarHBondContact O-N 3.19Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-R264 PolarHBondContact O-N 2.91Å; L262-R265 PolarHBondContact O-N 3.49Å; L262-R265 VanDerWaalsContact O-N 3.1Å; L262-C266 PolarHBondContact O-N 2.81Å; L262-C266 PolarHBondContact O-SG 3.22Å; L262-I280 HydrophobicContact CD1-CG1 4.33Å; L262-I280 HydrophobicContact CD1-CG2 4.42Å; L262-D283 HydrophobicContact CD1-CB 4.07Å; L262-D283 HydrophobicContact CD2-CB 4.18Å; L262-W285 HydrophobicContact CD2-CE3 3.67Å; L262-W285 HydrophobicContact CD2-CZ3 4.3Å; L262-M286 HydrophobicContact CD2-CG 4.17Å
263I98.9Very high98Very high0 Ų056.4 Ų56.40%033%0.325CS..Hα-helixtrans-57-47.2178.9-66.9166.5000110.7L228 Y229 V232 L249 F251 C259 R265 C266 L267L228-I263 HydrophobicContact CB-CG1 4.22Å; L228-I263 HydrophobicContact CD2-CD1 4.33Å; L228-I263 HydrophobicContact CD2-CG1 3.6Å; L228-I263 HydrophobicContact CG-CD1 4.01Å; L228-I263 HydrophobicContact CG-CG1 3.7Å; Y229-I263 HydrophobicContact CD2-CG2 4.22Å; V232-I263 HydrophobicContact CG2-CD1 3.88Å; L249-I263 HydrophobicContact CD1-CG2 4.25Å; F251-I263 HydrophobicContact CE1-CB 4.13Å; F251-I263 HydrophobicContact CE1-CD1 3.73Å; F251-I263 HydrophobicContact CE1-CG2 3.93Å; F251-I263 HydrophobicContact CZ-CB 4.05Å; F251-I263 HydrophobicContact CZ-CD1 4.49Å; F251-I263 HydrophobicContact CZ-CG2 3.78Å; C259-I263 WeakPolarHBondContact O-CG1 3.28Å; C259-I263 PolarHBondContact O-N 3.02Å; I263-R265 VanDerWaalsContact C-N 3.31Å; I263-R265 PolarHBondContact O-N 3.3Å; I263-C266 PolarHBondContact O-N 3.44Å; I263-L267 HydrophobicContact CG2-CD1 3.79Å; I263-L267 HydrophobicContact CG2-CG 4.42Å; I263-L267 WeakPolarHBondContact O-CB 3.4Å; I263-L267 WeakPolarHBondContact O-CG 3.5Å; I263-L267 PolarHBondContact O-N 2.98Å
264R98.8Very high98.2Very high132 Ų13252 Ų5250%0.49828%0.284SS..Hα-helixtrans-60.5-37.1177.4-77.1-176.6-174.8109.71.3113.1L249 F251 C260 A261 L262 L267 A268L249-R264 HydrophobicContact CD1-CG 3.82Å; F251-R264 HydrophobicContact CE2-CG 4.18Å; F251-R264 HydrophobicContact CZ-CG 4.38Å; C260-R264 WeakPolarHBondContact O-CB 3.25Å; C260-R264 VanDerWaalsContact O-CG 3.27Å; C260-R264 WeakPolarHBondContact O-CG 3.49Å; C260-R264 PolarHBondContact O-N 3.38Å; A261-R264 PolarHBondContact O-N 3.42Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-R264 PolarHBondContact O-N 2.91Å; R264-L267 CarbonylContact O-C 3.6Å; R264-A268 PolarHBondContact O-N 3.35Å
265R98.7Very high98.4Very high110 Ų11047 Ų4742%0.41526%0.263SS..Hα-helixtrans-69.3-42176.6-68.9-168.9-52.8166.714.8111.6A261 L262 I263 L267 A268 P275 D283A261-R265 WeakPolarHBondContact O-CG 3.46Å; A261-R265 PolarHBondContact O-N 3.48Å; L262-R265 PolarHBondContact O-N 3.49Å; L262-R265 VanDerWaalsContact O-N 3.1Å; I263-R265 VanDerWaalsContact C-N 3.31Å; I263-R265 PolarHBondContact O-N 3.3Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.24Å; R265-A268 WeakPolarHBondContact O-CB 3.36Å; R265-A268 PolarHBondContact O-N 3.07Å; R265-P275 HydrophobicContact CB-CG 4.46Å; R265-P275 WeakPolarHBondContact O-CD 3.24Å; R265-D283 IonicContact CZ-OD2 3.63Å; R265-D283 IonicContact NE-OD2 3.44Å; R265-D283 IonicContact NH2-OD2 2.8Å; R265-D283 PolarHBondContact NH2-OD2 3.09Å
266C98.9Very high98.5Very high0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-62.3-39.2174.6-67.80000112.2V221 L262 I263 A268 R274V221-C266 HydrophobicContact CG1-CB 4.07Å; L262-C266 PolarHBondContact O-N 2.81Å; L262-C266 PolarHBondContact O-SG 3.22Å; I263-C266 PolarHBondContact O-N 3.44Å; C266-A268 VanDerWaalsContact C-N 3.33Å; C266-A268 PolarHBondContact O-N 2.95Å; C266-R274 VanDerWaalsContact O-CD 3.29Å; C266-R274 WeakPolarHBondContact O-CD 3.29Å; C266-R274 WeakPolarHBondContact O-CG 3.43Å
267L98.9Very high98.5Very high3 Ų347.4 Ų47.42%0.01626%0.264CS..THydrogen-bonded Turntrans-94.125.8-179.1-60.5-179.9000113.6W222 I226 P237 F238 L249 I263 R264 R265W222-L267 HydrophobicContact CD2-CD2 3.69Å; W222-L267 HydrophobicContact CE3-CB 4.37Å; W222-L267 HydrophobicContact CE3-CD2 3.9Å; W222-L267 HydrophobicContact CG-CD2 4.09Å; W222-L267 HydrophobicContact CH2-CB 4.49Å; W222-L267 HydrophobicContact CH2-CD2 4.4Å; W222-L267 HydrophobicContact CZ2-CD2 4.2Å; W222-L267 HydrophobicContact CZ3-CB 4.15Å; W222-L267 HydrophobicContact CZ3-CD2 4.27Å; W222-L267 VanDerWaalsContact CZ3-O 3.24Å; W222-L267 WeakPolarHBondContact CZ3-O 3.46Å; W222-L267 VanDerWaalsContact O-CD2 3.23Å; W222-L267 WeakPolarHBondContact O-CD2 3.27Å; I226-L267 HydrophobicContact CD1-CD1 4.03Å; I226-L267 HydrophobicContact CD1-CD2 3.56Å; I226-L267 HydrophobicContact CD1-CG 4.48Å; I226-L267 HydrophobicContact CG1-CD2 3.87Å; P237-L267 HydrophobicContact CG-CD1 4.27Å; F238-L267 HydrophobicContact CE2-CD1 4.18Å; F238-L267 HydrophobicContact CZ-CD1 4.34Å; L249-L267 HydrophobicContact CD1-CB 4.12Å; L249-L267 HydrophobicContact CD1-CD1 3.99Å; L249-L267 HydrophobicContact CD2-CD1 3.69Å; L249-L267 HydrophobicContact CG-CD1 4.41Å; I263-L267 HydrophobicContact CG2-CD1 3.79Å; I263-L267 HydrophobicContact CG2-CG 4.42Å; I263-L267 WeakPolarHBondContact O-CB 3.4Å; I263-L267 WeakPolarHBondContact O-CG 3.5Å; I263-L267 PolarHBondContact O-N 2.98Å; R264-L267 CarbonylContact O-C 3.6Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.24Å
268A98.7Very high98.5Very high16 Ų1648.4 Ų48.413%0.13226%0.26CS..  trans-64.6130.9173.300000110.4R264 R265 C266 K270 R274R264-A268 PolarHBondContact O-N 3.35Å; R265-A268 WeakPolarHBondContact O-CB 3.36Å; R265-A268 PolarHBondContact O-N 3.07Å; C266-A268 VanDerWaalsContact C-N 3.33Å; C266-A268 PolarHBondContact O-N 2.95Å; A268-K270 PolarHBondContact O-N 2.64Å; A268-R274 HydrophobicContact CB-CG 4.13Å; A268-R274 PolarHBondContact O-NE 3.25Å; A268-R274 PolarHBondContact O-NH2 2.72Å
269P97.9Very high98.6Very high71 Ų7149.4 Ų49.446%0.46126%0.262SS..SBendtrans-58.6-36.1179.8-28.334.5000113.3A247 P271 R274A247-P269 HydrophobicContact CB-CG 3.8Å; P269-P271 WeakPolarHBondContact O-CD 3.33Å; P269-R274 PolarHBondContact O-NH2 2.91Å
270K98.1Very high98.6Very high133 Ų13349.4 Ų49.458%0.57826%0.262SS*.SBendtrans-80.8120.6176.6-169-178.2-174.3-169.90109.6A268 S272 S273A268-K270 PolarHBondContact O-N 2.64Å; K270-S272 VanDerWaalsContact C-N 3.27Å; K270-S272 WeakPolarHBondContact CD-OG 3.22Å; K270-S272 WeakPolarHBondContact CE-OG 3.48Å; K270-S272 PolarHBondContact O-N 3.46Å; K270-S273 WeakPolarHBondContact O-CB 3.41Å; K270-S273 PolarHBondContact O-N 3.41Å
271P98.4Very high98.5Very high43 Ų4351.1 Ų51.128%0.27927%0.27SS..G310 helixtrans-57.1-37.9-177.8-28.837.4000113.9E207 P218 P269 S273 R274E207-P271 HydrophobicContact CB-CG 4.37Å; E207-P271 VanDerWaalsContact CD-CG 3.48Å; E207-P271 HydrophobicContact CG-CG 4.11Å; E207-P271 WeakPolarHBondContact OE1-CG 3.49Å; P218-P271 HydrophobicContact CB-CB 3.67Å; P218-P271 HydrophobicContact CG-CB 4.14Å; P269-P271 WeakPolarHBondContact O-CD 3.33Å; P271-S273 PolarHBondContact O-N 3.2Å; P271-R274 WeakPolarHBondContact O-CB 3.47Å; P271-R274 PolarHBondContact O-N 3.48Å
272S98.1Very high98.5Very high90 Ų9054.3 Ų54.363%0.62928%0.281SS*.G310 helixtrans-72.6-6.4179.9740000114.5K270K270-S272 VanDerWaalsContact C-N 3.27Å; K270-S272 WeakPolarHBondContact CD-OG 3.22Å; K270-S272 WeakPolarHBondContact CE-OG 3.48Å; K270-S272 PolarHBondContact O-N 3.46Å
273S98.3Very high98.4Very high69 Ų6954.6 Ų54.648%0.48328%0.282SS..G310 helixtrans-96.1-6.2177.5-66.70000112.2K270 P271K270-S273 WeakPolarHBondContact O-CB 3.41Å; K270-S273 PolarHBondContact O-N 3.41Å; P271-S273 PolarHBondContact O-N 3.2Å
274R98.8Very high98.3Very high20 Ų2058.7 Ų58.78%0.07531%0.309CS..SBendtrans-80.3142177.8-59.7179.9-165.3143.610.3109.9E207 P218 V221 C266 A268 P269 P271E207-R274 IonicContact OE1-CZ 3.62Å; E207-R274 IonicContact OE1-NH1 2.68Å; E207-R274 PolarHBondContact OE1-NH1 3.44Å; E207-R274 IonicContact OE1-NH2 2.88Å; E207-R274 PolarHBondContact OE1-NH2 2.76Å; E207-R274 IonicContact OE2-CZ 3.46Å; E207-R274 IonicContact OE2-NH1 2.85Å; E207-R274 IonicContact OE2-NH2 3.43Å; E207-R274 PolarHBondContact OE2-NH2 3.44Å; P218-R274 VanDerWaalsContact C-NH1 3.3Å; P218-R274 VanDerWaalsContact O-CD 3.31Å; P218-R274 WeakPolarHBondContact O-CD 3.39Å; P218-R274 PolarHBondContact O-NH1 3.35Å; V221-R274 HydrophobicContact CB-CB 4.33Å; V221-R274 HydrophobicContact CG1-CB 3.77Å; V221-R274 HydrophobicContact CG1-CG 4.48Å; C266-R274 VanDerWaalsContact O-CD 3.29Å; C266-R274 WeakPolarHBondContact O-CD 3.29Å; C266-R274 WeakPolarHBondContact O-CG 3.43Å; A268-R274 HydrophobicContact CB-CG 4.13Å; A268-R274 PolarHBondContact O-NE 3.25Å; A268-R274 PolarHBondContact O-NH2 2.72Å; P269-R274 PolarHBondContact O-NH2 2.91Å; P271-R274 WeakPolarHBondContact O-CB 3.47Å; P271-R274 PolarHBondContact O-N 3.48Å
275P98.7Very high98.2Very high12 Ų1252.4 Ų52.48%0.07829%0.285CS..PPolyproline II helixtrans-68.3156.6178.729.8-35.4000111.4V221 R265 E279 I280V221-P275 HydrophobicContact CG1-CG 4.14Å; V221-P275 VanDerWaalsContact CG2-O 3.23Å; V221-P275 WeakPolarHBondContact CG2-O 3.43Å; R265-P275 HydrophobicContact CB-CG 4.46Å; R265-P275 WeakPolarHBondContact O-CD 3.24Å; P275-E279 HydrophobicContact CB-CB 3.86Å; P275-I280 HydrophobicContact CB-CG1 4.1Å; P275-I280 HydrophobicContact CG-CD1 4.18Å; P275-I280 HydrophobicContact CG-CG1 3.65Å
276S98.6Very high98.2Very high39 Ų3948.4 Ų48.427%0.27327%0.271SS..PPolyproline II helixtrans-68.4163.816365.30000111.4E278 E279 I280S276-E278 PolarHBondContact O-N 3.27Å; S276-E279 WeakPolarHBondContact CB-OE2 3.32Å; S276-E279 PolarHBondContact N-OE2 3.24Å; S276-E279 PolarHBondContact O-N 3.22Å; S276-E279 WeakPolarHBondContact OG-CB 3.46Å; S276-E279 VanDerWaalsContact OG-CG 3.26Å; S276-E279 WeakPolarHBondContact OG-CG 3.43Å; S276-E279 PolarHBondContact OG-N 2.83Å; S276-E279 PolarHBondContact OG-OE2 3.45Å; S276-I280 WeakPolarHBondContact O-CG1 3.47Å; S276-I280 PolarHBondContact O-N 3.2Å
277L98.5Very high98Very high11 Ų1154.2 Ų54.26%0.05830%0.298CS..Hα-helixtrans-61.5-32.4176-59.5174000112.4V148 I151 Q152 L217 V221 L224 I280 L281V148-L277 HydrophobicContact CG1-CB 4.23Å; V148-L277 HydrophobicContact CG1-CD2 4.36Å; I151-L277 HydrophobicContact CG2-CD1 3.81Å; I151-L277 HydrophobicContact CG2-CD2 4.28Å; Q152-L277 HydrophobicContact CB-CD1 4.39Å; Q152-L277 HydrophobicContact CG-CB 3.52Å; Q152-L277 HydrophobicContact CG-CD1 3.61Å; Q152-L277 HydrophobicContact CG-CG 4.19Å; L217-L277 HydrophobicContact CD1-CD1 4.09Å; L217-L277 HydrophobicContact CD1-CD2 4.46Å; L217-L277 HydrophobicContact CD1-CG 3.84Å; V221-L277 HydrophobicContact CG2-CD2 4.22Å; L224-L277 HydrophobicContact CD1-CD2 3.6Å; L277-I280 HydrophobicContact CD2-CD1 4.42Å; L277-L281 PolarHBondContact O-N 2.93Å
278E98.1Very high97.5Very high130 Ų13056.5 Ų56.561%0.60731%0.313SS*.Hα-helixtrans-68.6-45.3175.4-176.7175.8-17400111.3S276 I280 L281 L282S276-E278 PolarHBondContact O-N 3.27Å; E278-I280 VanDerWaalsContact C-N 3.26Å; E278-I280 PolarHBondContact O-N 2.98Å; E278-L281 PolarHBondContact O-N 2.83Å; E278-L281 VanDerWaalsContact O-N 3.14Å; E278-L282 HydrophobicContact CG-CD1 3.99Å; E278-L282 WeakPolarHBondContact O-CG 3.4Å; E278-L282 PolarHBondContact O-N 2.93Å
279E98.5Very high96.5Very high106 Ų10660.7 Ų60.750%0.49534%0.339SS..Hα-helixtrans-63-32176-73165.8134.200112.6P275 S276 L282 D283P275-E279 HydrophobicContact CB-CB 3.86Å; S276-E279 WeakPolarHBondContact CB-OE2 3.32Å; S276-E279 PolarHBondContact N-OE2 3.24Å; S276-E279 PolarHBondContact O-N 3.22Å; S276-E279 WeakPolarHBondContact OG-CB 3.46Å; S276-E279 VanDerWaalsContact OG-CG 3.26Å; S276-E279 WeakPolarHBondContact OG-CG 3.43Å; S276-E279 PolarHBondContact OG-N 2.83Å; S276-E279 PolarHBondContact OG-OE2 3.45Å; E279-L282 PolarHBondContact O-N 3.46Å; E279-D283 PolarHBondContact O-N 3.34Å; E279-D283 VanDerWaalsContact O-N 3.11Å
280I98.8Very high95Very high0 Ų061.6 Ų61.60%035%0.352CS..Hα-helixtrans-62.8-49.8171.9-69.3170.3000110.3F144 V148 V221 L224 L262 P275 S276 L277 E278 L282 D283 M286F144-I280 HydrophobicContact CE1-CG2 3.53Å; F144-I280 HydrophobicContact CZ-CG2 4.07Å; V148-I280 HydrophobicContact CG1-CG2 4.33Å; V148-I280 HydrophobicContact CG2-CG2 3.97Å; V221-I280 HydrophobicContact CG1-CD1 4.04Å; V221-I280 HydrophobicContact CG2-CD1 4.22Å; L224-I280 HydrophobicContact CD1-CD1 4.39Å; L262-I280 HydrophobicContact CD1-CG1 4.33Å; L262-I280 HydrophobicContact CD1-CG2 4.42Å; P275-I280 HydrophobicContact CB-CG1 4.1Å; P275-I280 HydrophobicContact CG-CD1 4.18Å; P275-I280 HydrophobicContact CG-CG1 3.65Å; S276-I280 WeakPolarHBondContact O-CG1 3.47Å; S276-I280 PolarHBondContact O-N 3.2Å; L277-I280 HydrophobicContact CD2-CD1 4.42Å; E278-I280 VanDerWaalsContact C-N 3.26Å; E278-I280 PolarHBondContact O-N 2.98Å; I280-L282 PolarHBondContact O-N 3.21Å; I280-D283 WeakPolarHBondContact O-CB 3.38Å; I280-D283 PolarHBondContact O-N 3.14Å; I280-D283 VanDerWaalsContact O-N 3.12Å; I280-M286 WeakPolarHBondContact O-CG 3.42Å
281L97.6Very high93.2Very high45 Ų4563.9 Ų63.924%0.23636%0.364CS..Hα-helixtrans-64.5-30.7-179.6-70.2177.1000112.6V148 L277 E278 D283 M286 Q287V148-L281 HydrophobicContact CB-CD2 3.95Å; V148-L281 HydrophobicContact CB-CG 4.43Å; V148-L281 HydrophobicContact CG1-CD1 4.18Å; V148-L281 HydrophobicContact CG1-CD2 3.77Å; V148-L281 HydrophobicContact CG1-CG 3.69Å; L277-L281 PolarHBondContact O-N 2.93Å; E278-L281 PolarHBondContact O-N 2.83Å; E278-L281 VanDerWaalsContact O-N 3.14Å; L281-D283 VanDerWaalsContact C-N 3.33Å; L281-M286 HydrophobicContact CD2-CE 4.19Å; L281-M286 WeakPolarHBondContact O-CB 3.1Å; L281-Q287 PolarHBondContact O-NE2 2.72Å
282L97.5Very high90.4Very high111 Ų11169.7 Ų69.758%0.58139%0.393SS*.THydrogen-bonded Turntrans-85.9-0.4177.1-64.5175.3000113.8E278 E279 I280E278-L282 HydrophobicContact CG-CD1 3.99Å; E278-L282 WeakPolarHBondContact O-CG 3.4Å; E278-L282 PolarHBondContact O-N 2.93Å; E279-L282 PolarHBondContact O-N 3.46Å; I280-L282 PolarHBondContact O-N 3.21Å
283D98.2Very high87.6Confident6 Ų669 Ų693%0.03239%0.393CS..SBendtrans-59.2141.2-179.9-176.3-81.2000111.4L262 R265 E279 I280 L281 W285 M286 Q287L262-D283 HydrophobicContact CD1-CB 4.07Å; L262-D283 HydrophobicContact CD2-CB 4.18Å; R265-D283 IonicContact CZ-OD2 3.63Å; R265-D283 IonicContact NE-OD2 3.44Å; R265-D283 IonicContact NH2-OD2 2.8Å; R265-D283 PolarHBondContact NH2-OD2 3.09Å; E279-D283 PolarHBondContact O-N 3.34Å; E279-D283 VanDerWaalsContact O-N 3.11Å; I280-D283 WeakPolarHBondContact O-CB 3.38Å; I280-D283 PolarHBondContact O-N 3.14Å; I280-D283 VanDerWaalsContact O-N 3.12Å; L281-D283 VanDerWaalsContact C-N 3.33Å; D283-W285 PolarHBondContact O-N 2.94Å; D283-W285 VanDerWaalsContact O-N 3.17Å; D283-W285 WeakPolarHBondContact OD1-CA 3.24Å; D283-W285 WeakPolarHBondContact OD1-CB 3.37Å; D283-W285 PolarHBondContact OD1-N 2.8Å; D283-M286 HydrophobicContact CB-CB 4.4Å; D283-M286 HydrophobicContact CB-CG 4.25Å; D283-M286 WeakPolarHBondContact O-CA 3.37Å; D283-M286 WeakPolarHBondContact O-CB 3.4Å; D283-M286 PolarHBondContact O-N 3.41Å; D283-Q287 WeakPolarHBondContact O-CG 3.31Å; D283-Q287 PolarHBondContact O-N 2.68Å
284P96Very high84.7Confident85 Ų8571.6 Ų71.655%0.55241%0.408SS*.Hα-helixtrans-50.8-40177.6-28.835.9000114.1M286 Q287 T288P284-M286 VanDerWaalsContact C-N 3.31Å; P284-M286 PolarHBondContact O-N 3.47Å; P284-Q287 PolarHBondContact O-N 3.2Å; P284-T288 PolarHBondContact O-N 2.91Å; P284-T288 VanDerWaalsContact O-N 3.12Å; P284-T288 PolarHBondContact O-OG1 3.25Å
285W97.9Very high81.9Confident1 Ų178.1 Ų78.10%0.00444%0.444CS..Hα-helixtrans-60.9-41.7176.3-17773.9000111.6E137 R141 F144 L228 D258 C259 L262 D283 Q287 T288E137-W285 HydrophobicContact CB-CZ2 3.94Å; E137-W285 HydrophobicContact CG-CZ2 4.22Å; E137-W285 PolarHBondContact OE2-NE1 2.82Å; R141-W285 VanDerWaalsContact CA-CH2 3.44Å; R141-W285 HydrophobicContact CB-CH2 3.63Å; R141-W285 HydrophobicContact CB-CZ2 3.96Å; R141-W285 HydrophobicContact CB-CZ3 3.99Å; R141-W285 WeakPolarHBondContact CD-O 3.45Å; R141-W285 HydrophobicContact CG-CE3 4.33Å; R141-W285 HydrophobicContact CG-CH2 4.21Å; R141-W285 HydrophobicContact CG-CZ3 4.07Å; R141-W285 PolarHBondContact NE-O 3.31Å; F144-W285 HydrophobicContact CD1-CZ3 4.21Å; L228-W285 HydrophobicContact CD1-CH2 3.47Å; L228-W285 VanDerWaalsContact CD1-CH2 3.47Å; L228-W285 HydrophobicContact CD1-CZ2 4.34Å; L228-W285 HydrophobicContact CD1-CZ3 3.75Å; L228-W285 HydrophobicContact CD2-CE3 4.48Å; L228-W285 HydrophobicContact CD2-CH2 4.49Å; L228-W285 HydrophobicContact CD2-CZ3 4.05Å; D258-W285 HydrophobicContact CB-CB 4.03Å; C259-W285 HydrophobicContact CB-CD2 4.26Å; C259-W285 HydrophobicContact CB-CG 4.12Å; C259-W285 HydrophobicContact CB-CZ2 4.43Å; L262-W285 HydrophobicContact CD2-CE3 3.67Å; L262-W285 HydrophobicContact CD2-CZ3 4.3Å; D283-W285 PolarHBondContact O-N 2.94Å; D283-W285 VanDerWaalsContact O-N 3.17Å; D283-W285 WeakPolarHBondContact OD1-CA 3.24Å; D283-W285 WeakPolarHBondContact OD1-CB 3.37Å; D283-W285 PolarHBondContact OD1-N 2.8Å; W285-Q287 VanDerWaalsContact C-N 3.31Å; W285-Q287 PolarHBondContact O-N 3.25Å; W285-T288 WeakPolarHBondContact O-CB 3.44Å; W285-T288 PolarHBondContact O-N 3.35Å; W285-T288 PolarHBondContact O-OG1 2.95Å
286M97.6Very high79Confident25 Ų2584.9 Ų84.912%0.12348%0.479CS..Hα-helixtrans-69-28.2177.4-70.9-59.4-72.900113.2R141 F144 L262 I280 L281 D283 P284R141-M286 HydrophobicContact CG-CE 4.32Å; R141-M286 HydrophobicContact CG-SD 3.73Å; F144-M286 HydrophobicContact CD1-CE 4.25Å; F144-M286 HydrophobicContact CD1-SD 3.84Å; L262-M286 HydrophobicContact CD2-CG 4.17Å; I280-M286 WeakPolarHBondContact O-CG 3.42Å; L281-M286 HydrophobicContact CD2-CE 4.19Å; L281-M286 WeakPolarHBondContact O-CB 3.1Å; D283-M286 HydrophobicContact CB-CB 4.4Å; D283-M286 HydrophobicContact CB-CG 4.25Å; D283-M286 WeakPolarHBondContact O-CA 3.37Å; D283-M286 WeakPolarHBondContact O-CB 3.4Å; D283-M286 PolarHBondContact O-N 3.41Å; P284-M286 VanDerWaalsContact C-N 3.31Å; P284-M286 PolarHBondContact O-N 3.47Å
287Q94.3Very high76.2Confident122 Ų12287.3 Ų87.357%0.5749%0.494SS*.Hα-helixtrans-88.9-4.7-179.9-61.1-58.5-50.600113.6L281 D283 P284 W285L281-Q287 PolarHBondContact O-NE2 2.72Å; D283-Q287 WeakPolarHBondContact O-CG 3.31Å; D283-Q287 PolarHBondContact O-N 2.68Å; P284-Q287 PolarHBondContact O-N 3.2Å; W285-Q287 VanDerWaalsContact C-N 3.31Å; W285-Q287 PolarHBondContact O-N 3.25Å
288T89.6Confident73.4Confident52 Ų5292.4 Ų92.432%0.31953%0.528SS..SBendtrans-58.4126.5175.3-60.50000109.6R141 P284 W285R141-T288 VanDerWaalsContact CZ-CB 3.49Å; R141-T288 PolarHBondContact NH1-O 3.47Å; P284-T288 PolarHBondContact O-N 2.91Å; P284-T288 VanDerWaalsContact O-N 3.12Å; P284-T288 PolarHBondContact O-OG1 3.25Å; W285-T288 WeakPolarHBondContact O-CB 3.44Å; W285-T288 PolarHBondContact O-N 3.35Å; W285-T288 PolarHBondContact O-OG1 2.95Å
289P76.3Confident70.7Confident104 Ų10496.7 Ų96.768%0.67554%0.544SS*.PPolyproline II helixtrans-51.8145.1177.4-25.133000111.2R141 E291R141-P289 PolarHBondContact NH1-O 2.88Å; P289-E291 PolarHBondContact O-N 3.47Å; P289-E291 VanDerWaalsContact O-N 3.09Å
290A67.4Low68.2Low89 Ų8995.7 Ų95.774%0.73656%0.563SS**PPolyproline II helixtrans-58119.8166.200000107D292A290-D292 PolarHBondContact O-N 3.32Å
291E59.6Low65.6Low181 Ų18198.5 Ų98.585%0.84659%0.591SS**PPolyproline II helixtrans-58.5129.9168.8-69.1-164.5159.300107.1P289 A293P289-E291 PolarHBondContact O-N 3.47Å; P289-E291 VanDerWaalsContact O-N 3.09Å; E291-A293 PolarHBondContact O-N 2.92Å
292D40.4Very low63Low165 Ų165102.5 Ų102.588%0.88262%0.62SS**  trans-58.589.7170-78.1-43.3000107.8A290A290-D292 PolarHBondContact O-N 3.32Å
293A39.4Very low60.4Low76 Ų76101.4 Ų101.463%0.62863%0.627SS**  trans-54.4133.2165.800000106.8E291 L295E291-A293 PolarHBondContact O-N 2.92Å; A293-L295 PolarHBondContact O-N 3.19Å
294P36.8Very low57.8Low124 Ų124107 Ų10781%0.80566%0.664SS**  trans-55.4117.2178.918.9-28.8000109N296P294-N296 PolarHBondContact O-N 3.23Å
295L39.3Very low55Low156 Ų156109.2 Ų109.282%0.81767%0.67SS**  trans-57.484.3173.9-77.2159.5000109.8A293 P297A293-L295 PolarHBondContact O-N 3.19Å; L295-P297 VanDerWaalsContact O-CD 3.25Å; L295-P297 WeakPolarHBondContact O-CD 3.23Å
296N38Very low52.2Low155 Ų155112 Ų11283%0.82969%0.693SS**  trans-102.883.2146.6-85.1-23.8000106.9P294P294-N296 PolarHBondContact O-N 3.23Å
297P40.2Very low49.5Very low90 Ų90118 Ų11858%0.58472%0.715SS**  trans-59.1135.5171.324.8-32.2000108.4L295 K299L295-P297 VanDerWaalsContact O-CD 3.25Å; L295-P297 WeakPolarHBondContact O-CD 3.23Å; P297-K299 PolarHBondContact O-N 2.73Å; P297-K299 VanDerWaalsContact O-N 3.09Å
298P40.3Very low46.6Very low117 Ų117117.3 Ų117.376%0.7672%0.723SS**  trans-54.9122.5158.623.3-29.5000106.6G300P298-G300 PolarHBondContact O-N 3.05Å
299K41.7Very low44Very low220 Ų220120.7 Ų120.796%0.95774%0.739SS**THydrogen-bonded Turntrans-52108.5178.1-71.7-179.4175.91790108.8P297P297-K299 PolarHBondContact O-N 2.73Å; P297-K299 VanDerWaalsContact O-N 3.09Å
300G45Very low42Very low86 Ų86120.4 Ų120.489%0.88773%0.731SS**THydrogen-bonded Turntrans118.312.2162.600000119.4P298P298-G300 PolarHBondContact O-N 3.05Å
301G45.2Very low40.4Very low58 Ų58125.4 Ų125.460%0.59876%0.756SS**  trans-105.1141.5172.200000113.1
302P41.8Very low39.5Very low130 Ų130122.7 Ų122.784%0.84475%0.752SS**PPolyproline II helixtrans-65.9142.117128.9-31.8000110
303A43.8Very low39.4Very low88 Ų88120.4 Ų120.473%0.72775%0.745SS**PPolyproline II helixtrans-60.9142.3175.500000110.8L305A303-L305 PolarHBondContact O-N 3.47Å
304P42.4Very low39.4Very low122 Ų122122.9 Ų122.979%0.79275%0.751SS**PPolyproline II helixtrans-62.8136.9174.823.7-30000110.5
305L38.4Very low39.6Very low132 Ų132122.8 Ų122.869%0.69175%0.748SS**PPolyproline II helixtrans-70.8142.6178.1-74.9164.9000110.7A303A303-L305 PolarHBondContact O-N 3.47Å
306A39.3Very low39.6Very low59 Ų59120.8 Ų120.849%0.48874%0.744SS.*PPolyproline II helixtrans-63.3139.1171.800000111.1S308 L309A306-S308 PolarHBondContact O-N 2.95Å; A306-S308 VanDerWaalsContact O-N 3.13Å; A306-L309 PolarHBondContact O-N 3.29Å; A306-L309 VanDerWaalsContact O-N 3.09Å
307W39.8Very low39.7Very low153 Ų153118.5 Ų118.558%0.5874%0.738SS**G310 helixtrans-56.4-31.4-173.6-171.5-105.4000114.5P97 L309 L310P97-W307 HydrophobicContact CB-CH2 4.37Å; P97-W307 HydrophobicContact CG-CH2 3.55Å; P97-W307 HydrophobicContact CG-CZ2 4.1Å; W307-L309 PolarHBondContact O-N 2.98Å; W307-L310 HydrophobicContact CE3-CD1 3.75Å; W307-L310 HydrophobicContact CZ3-CD1 3.91Å; W307-L310 PolarHBondContact O-N 2.74Å
308S34.1Very low39.7Very low107 Ų107120.5 Ų120.575%0.74875%0.749SS**G310 helixtrans-65.9-1178.560.20000114.7A306A306-S308 PolarHBondContact O-N 2.95Å; A306-S308 VanDerWaalsContact O-N 3.13Å
309L34.3Very low39.6Very low123 Ų123120.8 Ų120.864%0.64475%0.748SS**G310 helixtrans-123.37.9-174.1-62.7173.4000113.9A306 W307A306-L309 PolarHBondContact O-N 3.29Å; A306-L309 VanDerWaalsContact O-N 3.09Å; W307-L309 PolarHBondContact O-N 2.98Å
310L34.8Very low39.4Very low97 Ų97112.5 Ų112.551%0.50873%0.731SS.*  trans-86.6128.9172-67.4172.1000109.7W307W307-L310 HydrophobicContact CE3-CD1 3.75Å; W307-L310 HydrophobicContact CZ3-CD1 3.91Å; W307-L310 PolarHBondContact O-N 2.74Å
311P34.3Very low38.9Very low195 Ų195114.9 Ų114.9100%1.26672%0.717SS**  trans-710177.929.6-33.8000113.3

Retrieved 311 of 311 residues in 387.2 ms (Link to these results)

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