X6RFG1_HUMAN Loading...

Phosphatidylinositol specific phospholipase C X domain containing 1

AlphaFold DB , UniProt , Accession X6RFG1, Species HUMAN (Homo sapiens, Human), Gene PLCXD1, Length 178 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
1M40.1Very low39.4Very low255 Ų255134.7 Ų134.7100%1.25684%0.835SS**  0109.30-73.7-170.517700107.6
2G35.6Very low39.9Very low80 Ų80131 Ų13183%0.82582%0.818SS**  trans-163.181-17900000107.7
3G34.5Very low40.1Very low75 Ų75139.6 Ų139.677%0.77383%0.826SS**  trans-79127.4179.400000110.4
4Q42.1Very low40.4Very low198 Ų198140.4 Ų140.493%0.92582%0.823SS**  trans-65.3130.3157.9-74.9-178.2-39.600108.5
5V42.2Very low40.7Very low143 Ų143143.5 Ų143.587%0.86783%0.826SS**  trans-124.7112.3160.5-174.70000107.7
6S39.6Very low41.2Very low109 Ų109142.2 Ų142.276%0.76283%0.826SS**  trans-59.7138.1178.8-163.30000111.1S8S6-S8 PolarHBondContact O-N 3.45Å
7A41.7Very low42.1Very low90 Ų90143.7 Ų143.774%0.74481%0.814SS**  trans-66115.316900000109.1N9A7-N9 PolarHBondContact O-N 3.12Å
8S36.9Very low43.1Very low115 Ų115141.3 Ų141.380%0.80480%0.799SS**  trans-72.692.2170.9410000109.5S6 S10S6-S8 PolarHBondContact O-N 3.45Å; S8-S10 VanDerWaalsContact C-N 3.25Å; S8-S10 PolarHBondContact O-N 2.91Å
9N37Very low44.8Very low135 Ų135138.1 Ų138.172%0.72279%0.792SS**  trans-68.290.6160.4-103.54.5000108.4A7 F11A7-N9 PolarHBondContact O-N 3.12Å; N9-F11 HydrophobicContact CB-CD2 4.28Å; N9-F11 HydrophobicContact CB-CE2 4.33Å; N9-F11 PolarHBondContact O-N 2.94Å
10S40.2Very low47.2Very low104 Ų104135.7 Ų135.773%0.72778%0.776SS**  trans-67.783.6162.3161.70000108.2S8 S12S8-S10 VanDerWaalsContact C-N 3.25Å; S8-S10 PolarHBondContact O-N 2.91Å; S10-S12 VanDerWaalsContact C-N 3.26Å; S10-S12 PolarHBondContact O-N 3.45Å
11F43.5Very low49.5Very low178 Ų178130.6 Ų130.678%0.78175%0.746SS**  trans-65.198.1155-83.3-83.8000106.6N9 R13N9-F11 HydrophobicContact CB-CD2 4.28Å; N9-F11 HydrophobicContact CB-CE2 4.33Å; N9-F11 PolarHBondContact O-N 2.94Å; F11-R13 PolarHBondContact O-N 2.91Å
12S45.1Very low52.2Low90 Ų90119.7 Ų119.763%0.62969%0.693SS**  trans-50110.8162.1-52.70000106.5S10 L14S10-S12 VanDerWaalsContact C-N 3.26Å; S10-S12 PolarHBondContact O-N 3.45Å; S12-L14 PolarHBondContact O-N 3.18Å
13R42.9Very low55.1Low243 Ų243118.2 Ų118.292%0.91766%0.662SS**  trans-63.982.6161.3-73.5-176.5-167.8178.83.4106F11 H15F11-R13 PolarHBondContact O-N 2.91Å; R13-H15 PolarHBondContact O-N 2.88Å; R13-H15 VanDerWaalsContact O-N 3.1Å
14L44.8Very low58.1Low150 Ų150115.2 Ų115.279%0.78563%0.628SS**  trans-49.3117.2150.7-82.6148.5000104.3S12 C16S12-L14 PolarHBondContact O-N 3.18Å; L14-C16 PolarHBondContact O-N 3.2Å
15H43.8Very low60.6Low188 Ų188107.2 Ų107.287%0.8759%0.594SS**  trans-43.5112.2165.4-103.547.9000106.4R13 R17R13-H15 PolarHBondContact O-N 2.88Å; R13-H15 VanDerWaalsContact O-N 3.1Å; H15-R17 VanDerWaalsContact C-N 3.28Å; H15-R17 PolarHBondContact O-N 3.44Å
16C49Very low63.1Low122 Ų122104.4 Ų104.482%0.82459%0.586SS**  trans-64.7103.8166-72.80000104.3L14 N18L14-C16 PolarHBondContact O-N 3.2Å; C16-N18 PolarHBondContact O-N 2.86Å
17R56Low65.7Low168 Ų168101 Ų10163%0.63456%0.558SS**  trans-43.2138.3145.6-81.8-174.2169.4-154.6-4.8106.8H15 A19 D22H15-R17 VanDerWaalsContact C-N 3.28Å; H15-R17 PolarHBondContact O-N 3.44Å; R17-A19 PolarHBondContact O-N 3.45Å; R17-D22 IonicContact NH1-OD2 3.08Å; R17-D22 PolarHBondContact NH1-OD2 3.29Å; R17-D22 VanDerWaalsContact NH1-OD2 3.08Å
18N61.1Low68.2Low101 Ų101100.1 Ų100.154%0.5455%0.546SS..  trans-53.9112.7-180-94.6-32.6000107.2C16 N20 E21C16-N18 PolarHBondContact O-N 2.86Å; N18-N20 PolarHBondContact O-N 3.15Å; N18-E21 HydrophobicContact CB-CB 4.45Å; N18-E21 VanDerWaalsContact O-CG 3.29Å; N18-E21 WeakPolarHBondContact O-CG 3.41Å; N18-E21 PolarHBondContact O-N 3.21Å
19A74.3Confident70.9Confident79 Ų7998.5 Ų98.565%0.65353%0.533SS*.THydrogen-bonded Turntrans-58.6-16.3-171.800000112.8R17R17-A19 PolarHBondContact O-N 3.45Å
20N93Very high73.6Confident90 Ų90102.3 Ų102.348%0.48154%0.537SS..THydrogen-bonded Turntrans-85-23.3-179.8-55.7-24.3000113.1N18 D22 W23 D97 G99N18-N20 PolarHBondContact O-N 3.15Å; N20-D22 VanDerWaalsContact C-N 3.32Å; N20-D22 PolarHBondContact O-N 3.39Å; N20-W23 VanDerWaalsContact O-CD1 3.28Å; N20-D97 CarbonylContact C-O 3.56Å; N20-D97 WeakPolarHBondContact CB-O 3.32Å; N20-G99 VanDerWaalsContact O-CA 3.3Å; N20-G99 WeakPolarHBondContact O-CA 3.45Å
21E96.1Very high76.2Confident29 Ų29100.7 Ų100.714%0.13652%0.52CS..THydrogen-bonded Turntrans-73.2-27.8-176.880.7-164.5-174.900112N18 D97 R101 W140N18-E21 HydrophobicContact CB-CB 4.45Å; N18-E21 VanDerWaalsContact O-CG 3.29Å; N18-E21 WeakPolarHBondContact O-CG 3.41Å; N18-E21 PolarHBondContact O-N 3.21Å; E21-D97 PolarHBondContact N-O 3.36Å; E21-R101 PolarHBondContact O-NH2 3.47Å; E21-W140 WeakPolarHBondContact O-CH2 3.42Å; E21-W140 WeakPolarHBondContact O-CZ2 3.45Å
22D97Very high78.6Confident27 Ų2798 Ų9814%0.14451%0.505CS..THydrogen-bonded Turntrans-119.430.6-176.8-72.3-44.4000111.7R17 N20 M24 S25 A26 H144 E147R17-D22 IonicContact NH1-OD2 3.08Å; R17-D22 PolarHBondContact NH1-OD2 3.29Å; R17-D22 VanDerWaalsContact NH1-OD2 3.08Å; N20-D22 VanDerWaalsContact C-N 3.32Å; N20-D22 PolarHBondContact O-N 3.39Å; D22-M24 PolarHBondContact O-N 3.25Å; D22-S25 VanDerWaalsContact O-CB 3.32Å; D22-S25 WeakPolarHBondContact O-CB 3.48Å; D22-S25 PolarHBondContact O-N 3.32Å; D22-A26 PolarHBondContact O-N 3.48Å; D22-A26 VanDerWaalsContact O-N 3.09Å; D22-H144 IonicContact OD1-CE1 3.94Å; D22-H144 IonicContact OD1-CG 3.72Å; D22-H144 IonicContact OD1-ND1 2.93Å; D22-H144 PolarHBondContact OD1-ND1 3.06Å; D22-E147 WeakPolarHBondContact CA-OE1 3.35Å
23W96.7Very high80.9Confident48 Ų48100.7 Ų100.718%0.18251%0.512CS..THydrogen-bonded Turntrans-67.2-33.2-169.676.6-96.4000113.7N20 S25 A26 L27 I41 G99 R101N20-W23 VanDerWaalsContact O-CD1 3.28Å; W23-S25 VanDerWaalsContact C-N 3.34Å; W23-A26 PolarHBondContact O-N 3.29Å; W23-L27 HydrophobicContact CE3-CD1 4.45Å; W23-L27 HydrophobicContact CE3-CD2 4.16Å; W23-L27 HydrophobicContact CE3-CG 4.31Å; W23-L27 HydrophobicContact CZ3-CD1 4.02Å; W23-L27 HydrophobicContact CZ3-CD2 4.08Å; W23-L27 HydrophobicContact CZ3-CG 4.3Å; W23-L27 PolarHBondContact O-N 2.85Å; W23-I41 HydrophobicContact CH2-CG1 4.39Å; W23-I41 HydrophobicContact CZ2-CG2 4.45Å; W23-G99 PolarHBondContact NE1-O 2.89Å; W23-R101 HydrophobicContact CZ2-CG 3.94Å
24M96.7Very high83.4Confident13 Ų1391.2 Ų91.26%0.06448%0.482CS..THydrogen-bonded Turntrans-69.4-38.3177.6-58.8-174.170.200110.6D22 A26 L27 L36 L39 R101 E147 V148D22-M24 PolarHBondContact O-N 3.25Å; M24-A26 PolarHBondContact O-N 3.11Å; M24-L27 HydrophobicContact CB-CD1 4.42Å; M24-L27 VanDerWaalsContact O-CB 3.29Å; M24-L27 WeakPolarHBondContact O-CB 3.39Å; M24-L27 WeakPolarHBondContact O-CG 3.38Å; M24-L27 PolarHBondContact O-N 2.91Å; M24-L27 VanDerWaalsContact O-N 3.16Å; M24-L36 HydrophobicContact CE-CD2 3.94Å; M24-L39 HydrophobicContact CE-CD1 4.4Å; M24-R101 HydrophobicContact SD-CG 3.89Å; M24-E147 WeakPolarHBondContact CA-OE1 3.31Å; M24-E147 WeakPolarHBondContact CB-OE1 3.46Å; M24-E147 WeakPolarHBondContact CB-OE2 3.42Å; M24-E147 VanDerWaalsContact CG-OE2 3.3Å; M24-E147 WeakPolarHBondContact CG-OE2 3.31Å; M24-E147 PolarHBondContact N-OE1 3.49Å; M24-E147 PolarHBondContact N-OE2 2.8Å; M24-V148 HydrophobicContact CE-CB 3.94Å; M24-V148 HydrophobicContact CE-CG2 4.26Å; M24-V148 HydrophobicContact SD-CB 4.11Å; M24-V148 PolarHBondContact SD-N 2.74Å; M24-V148 VanDerWaalsContact SD-N 3.42Å
25S95.1Very high85.9Confident30 Ų3087 Ų8721%0.2146%0.463CS..THydrogen-bonded Turntrans-61-33.8174.2-52.60000112.2D22 W23 R146 E147D22-S25 VanDerWaalsContact O-CB 3.32Å; D22-S25 WeakPolarHBondContact O-CB 3.48Å; D22-S25 PolarHBondContact O-N 3.32Å; W23-S25 VanDerWaalsContact C-N 3.34Å; S25-R146 WeakPolarHBondContact OG-CB 3.5Å; S25-E147 WeakPolarHBondContact CB-OE1 3.42Å; S25-E147 PolarHBondContact N-OE1 3.14Å; S25-E147 PolarHBondContact OG-OE1 3.19Å
26A94.8Very high88.3Confident83 Ų8381.4 Ų81.469%0.68644%0.439SS*.THydrogen-bonded Turntrans-84.7-3.4179.500000114.1D22 W23 M24D22-A26 PolarHBondContact O-N 3.48Å; D22-A26 VanDerWaalsContact O-N 3.09Å; W23-A26 PolarHBondContact O-N 3.29Å; M24-A26 PolarHBondContact O-N 3.11Å
27L94.6Very high90.5Very high37 Ų3782.8 Ų82.819%0.19443%0.433CS..SBendtrans-59.4149.6175.7-69.2172.4000111.3W23 M24 L31 W32 L39W23-L27 HydrophobicContact CE3-CD1 4.45Å; W23-L27 HydrophobicContact CE3-CD2 4.16Å; W23-L27 HydrophobicContact CE3-CG 4.31Å; W23-L27 HydrophobicContact CZ3-CD1 4.02Å; W23-L27 HydrophobicContact CZ3-CD2 4.08Å; W23-L27 HydrophobicContact CZ3-CG 4.3Å; W23-L27 PolarHBondContact O-N 2.85Å; M24-L27 HydrophobicContact CB-CD1 4.42Å; M24-L27 VanDerWaalsContact O-CB 3.29Å; M24-L27 WeakPolarHBondContact O-CB 3.39Å; M24-L27 WeakPolarHBondContact O-CG 3.38Å; M24-L27 PolarHBondContact O-N 2.91Å; M24-L27 VanDerWaalsContact O-N 3.16Å; L27-L31 HydrophobicContact CB-CB 4.26Å; L27-L31 HydrophobicContact CD1-CB 4.48Å; L27-L31 HydrophobicContact CD2-CD1 4.05Å; L27-W32 PolarHBondContact O-NE1 2.83Å; L27-L39 HydrophobicContact CD1-CD1 4.36Å
28C94.3Very high92.5Very high72 Ų7281 Ų8149%0.48643%0.432SS..  trans-56.1136.7169.8179.90000109.2R30 L31C28-R30 PolarHBondContact O-N 3.29Å; C28-L31 WeakPolarHBondContact O-CB 3.45Å; C28-L31 PolarHBondContact O-N 3.2Å
29P93.4Very high94.1Very high82 Ų8277.7 Ų77.753%0.53241%0.414SS..G310 helixtrans-52.2-29.2-176.8-31.335.9000114.8L31 W32P29-L31 PolarHBondContact O-N 2.95Å; P29-W32 HydrophobicContact CB-CE3 4.43Å; P29-W32 WeakPolarHBondContact O-CB 3.47Å; P29-W32 PolarHBondContact O-N 2.85Å; P29-W32 VanDerWaalsContact O-N 3.14Å
30R93.4Very high95.2Very high214 Ų21479.6 Ų79.681%0.80842%0.423SS*.G310 helixtrans-61.9-21.4175.2-67.2178.361.6-159-3114.3C28C28-R30 PolarHBondContact O-N 3.29Å
31L94.6Very high95.4Very high70 Ų7077.4 Ų77.437%0.36641%0.41SS..G310 helixtrans-93.5-11.3179.5-62.2178.4000112.6L27 C28 P29 D33 V34L27-L31 HydrophobicContact CB-CB 4.26Å; L27-L31 HydrophobicContact CD1-CB 4.48Å; L27-L31 HydrophobicContact CD2-CD1 4.05Å; C28-L31 WeakPolarHBondContact O-CB 3.45Å; C28-L31 PolarHBondContact O-N 3.2Å; P29-L31 PolarHBondContact O-N 2.95Å; L31-D33 VanDerWaalsContact C-N 3.3Å; L31-D33 PolarHBondContact O-N 3.32Å; L31-V34 HydrophobicContact CD2-CG2 4.21Å; L31-V34 PolarHBondContact O-N 3.01Å
32W93.4Very high95.5Very high121 Ų12178.9 Ų78.946%0.45842%0.422SS..THydrogen-bonded Turntrans-68.5-31.5177.3-65.2-8.8000112.3L27 P29 V34L27-W32 PolarHBondContact O-NE1 2.83Å; P29-W32 HydrophobicContact CB-CE3 4.43Å; P29-W32 WeakPolarHBondContact O-CB 3.47Å; P29-W32 PolarHBondContact O-N 2.85Å; P29-W32 VanDerWaalsContact O-N 3.14Å; W32-V34 VanDerWaalsContact C-N 3.34Å
33D93.8Very high95.6Very high147 Ų14779.8 Ų79.879%0.78644%0.438SS*.THydrogen-bonded Turntrans-90.22.1178.7-56.2-52.7000113.3L31L31-D33 VanDerWaalsContact C-N 3.3Å; L31-D33 PolarHBondContact O-N 3.32Å
34V95.8Very high95.7Very high45 Ų4577.8 Ų77.827%0.27343%0.431SS..SBendtrans-83135-180170.80000109.3L31 W32 L36 H38 L39L31-V34 HydrophobicContact CD2-CG2 4.21Å; L31-V34 PolarHBondContact O-N 3.01Å; W32-V34 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 3.06Å; V34-H38 HydrophobicContact CG1-CB 3.46Å; V34-H38 VanDerWaalsContact CG1-CB 3.46Å; V34-L39 HydrophobicContact CG1-CD2 4.38Å
35P96.4Very high95.8Very high61 Ų6181.7 Ų81.740%0.39645%0.45SS..  trans-54.7139.3176-26.233.9000112.3H37 H38P35-H37 WeakPolarHBondContact CB-CE1 3.44Å; P35-H37 PolarHBondContact O-N 2.83Å; P35-H38 WeakPolarHBondContact O-CB 3.3Å; P35-H38 PolarHBondContact O-N 2.88Å
36L95.3Very high95.9Very high71 Ų7180.5 Ų80.537%0.37244%0.441SS..G310 helixtrans-52.9-34.2-177.3-69.3176000113.5M24 V34 H38 L39 I41 V148M24-L36 HydrophobicContact CE-CD2 3.94Å; V34-L36 PolarHBondContact O-N 3.06Å; L36-H38 PolarHBondContact O-N 2.74Å; L36-L39 HydrophobicContact CD2-CD1 4.12Å; L36-L39 WeakPolarHBondContact O-CB 3.36Å; L36-L39 PolarHBondContact O-N 2.66Å; L36-I41 HydrophobicContact CB-CD1 4.27Å; L36-I41 HydrophobicContact CD2-CD1 4.31Å; L36-V148 HydrophobicContact CD1-CG1 4.07Å
37H95.3Very high96.1Very high150 Ų15076.5 Ų76.569%0.69441%0.408SS*.G310 helixtrans-70.6-7.1178.863.1-97.3000114.5P35P35-H37 WeakPolarHBondContact CB-CE1 3.44Å; P35-H37 PolarHBondContact O-N 2.83Å
38H96.9Very high96.2Very high130 Ų13075 Ų7560%0.60240%0.4SS*.G310 helixtrans-96.2-5169.5-69.1169.4000112.8V34 P35 L36V34-H38 HydrophobicContact CG1-CB 3.46Å; V34-H38 VanDerWaalsContact CG1-CB 3.46Å; P35-H38 WeakPolarHBondContact O-CB 3.3Å; P35-H38 PolarHBondContact O-N 2.88Å; L36-H38 PolarHBondContact O-N 2.74Å
39L96.3Very high96.4Very high32 Ų3271.8 Ų71.817%0.16838%0.378CS..SBendtrans-90.7146.1174.7-59.2179.4000110.3M24 L27 V34 L36 I41M24-L39 HydrophobicContact CE-CD1 4.4Å; L27-L39 HydrophobicContact CD1-CD1 4.36Å; V34-L39 HydrophobicContact CG1-CD2 4.38Å; L36-L39 HydrophobicContact CD2-CD1 4.12Å; L36-L39 WeakPolarHBondContact O-CB 3.36Å; L36-L39 PolarHBondContact O-N 2.66Å; L39-I41 HydrophobicContact CB-CD1 4.16Å; L39-I41 HydrophobicContact CB-CG1 3.79Å; L39-I41 PolarHBondContact O-N 3.13Å
40S96.6Very high96.5Very high120 Ų12070.8 Ų70.884%0.83936%0.364SS*.  trans-83105165.7-64.10000108.1
41I97.6Very high96.5Very high43 Ų4361.6 Ų61.622%0.22133%0.332CS..  trans-110.3120.2-174.1-57.1180000108.5W23 L36 L39 R101 I150W23-I41 HydrophobicContact CH2-CG1 4.39Å; W23-I41 HydrophobicContact CZ2-CG2 4.45Å; L36-I41 HydrophobicContact CB-CD1 4.27Å; L36-I41 HydrophobicContact CD2-CD1 4.31Å; L39-I41 HydrophobicContact CB-CD1 4.16Å; L39-I41 HydrophobicContact CB-CG1 3.79Å; L39-I41 PolarHBondContact O-N 3.13Å; I41-R101 HydrophobicContact CG2-CB 3.59Å; I41-I150 HydrophobicContact CD1-CD1 4.04Å
42P98.2Very high96.4Very high60 Ų6059.2 Ų59.239%0.3932%0.32SS..  trans-68.8139174.730.2-36.1000110.8G99 R101 Y102P42-G99 WeakPolarHBondContact CG-O 3.42Å; P42-R101 PolarHBondContact O-N 3.21Å; P42-Y102 PolarHBondContact O-N 2.91Å
43G98.4Very high96.1Very high46 Ų4656.7 Ų56.747%0.47432%0.315SS..EExtended strand (participates in β ladder)trans-133.1154.517900000112Y102G43-Y102 CarbonylContact C-O 3.52Å; G43-Y102 WeakPolarHBondContact CA-O 3.39Å
44S98.4Very high95.4Very high6 Ų656.1 Ų56.14%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-108.4135.2170.2600000110.7T47 Q95 Y102 D104S44-T47 PolarHBondContact O-OG1 3.33Å; S44-T47 PolarHBondContact OG-OG1 3.4Å; S44-Q95 PolarHBondContact OG-OE1 2.78Å; S44-Y102 PolarHBondContact N-O 3.36Å; S44-D104 WeakPolarHBondContact O-CB 3.24Å; S44-D104 PolarHBondContact O-N 3.49Å
45H98.3Very high94.9Very high96 Ų9662.5 Ų62.544%0.44433%0.33SS..THydrogen-bonded Turntrans-92.6134177.2166.6-113.1000109T47 T87 Q88 D104 R106H45-T47 PolarHBondContact O-N 2.8Å; H45-T87 PolarHBondContact O-OG1 2.87Å; H45-Q88 PolarHBondContact O-NE2 3.35Å; H45-D104 IonicContact CD2-OD2 3.78Å; H45-D104 PolarHBondContact CD2-OD2 3.09Å; H45-D104 IonicContact NE2-OD2 2.82Å; H45-R106 PolarHBondContact NE2-NH2 3.24Å; H45-R106 VanDerWaalsContact NE2-NH2 3.17Å
46D97.7Very high94.4Very high4 Ų460.3 Ų60.32%0.02132%0.316CS..THydrogen-bonded Turntrans49.255.8-172-73.1-58.6000111.9M48 T49 T87 D104 R106 H122D46-M48 PolarHBondContact O-N 2.84Å; D46-T49 HydrophobicContact CB-CG2 3.64Å; D46-T49 VanDerWaalsContact O-CG2 3.26Å; D46-T49 WeakPolarHBondContact O-CG2 3.34Å; D46-T49 PolarHBondContact O-N 3.49Å; D46-T49 VanDerWaalsContact O-N 3.12Å; D46-T49 PolarHBondContact O-OG1 2.99Å; D46-T87 HydrophobicContact CB-CG2 4.03Å; D46-T87 WeakPolarHBondContact CB-OG1 3.33Å; D46-T87 PolarHBondContact O-OG1 2.86Å; D46-D104 PolarHBondContact N-OD2 3.41Å; D46-R106 WeakPolarHBondContact OD1-CD 3.15Å; D46-R106 IonicContact OD1-CZ 3.12Å; D46-R106 IonicContact OD1-NE 2.83Å; D46-R106 PolarHBondContact OD1-NE 2.92Å; D46-R106 IonicContact OD1-NH1 3.59Å; D46-R106 IonicContact OD1-NH2 3.68Å; D46-R106 IonicContact OD2-CZ 3.58Å; D46-R106 IonicContact OD2-NE 3.99Å; D46-R106 IonicContact OD2-NH1 3.91Å; D46-R106 IonicContact OD2-NH2 3.5Å; D46-H122 IonicContact OD1-CE1 3.23Å; D46-H122 IonicContact OD1-CG 2.88Å; D46-H122 IonicContact OD1-ND1 2.69Å; D46-H122 PolarHBondContact OD1-ND1 3.27Å; D46-H122 IonicContact OD2-CE1 3.34Å; D46-H122 PolarHBondContact OD2-CE1 3.12Å; D46-H122 IonicContact OD2-CG 2.98Å; D46-H122 IonicContact OD2-ND1 3.9Å; D46-H122 PolarHBondContact OD2-ND1 3.02Å; D46-H122 IonicContact OD2-NE2 3.98Å
47T98.5Very high94.2Very high0 Ų057.9 Ų57.90%030%0.304CS..G310 helixtrans-48.3-39.8-167.2-63.80000113.8S44 H45 T49 Y50 Q88 V92 Q95 L103 D104 L105S44-T47 PolarHBondContact O-OG1 3.33Å; S44-T47 PolarHBondContact OG-OG1 3.4Å; H45-T47 PolarHBondContact O-N 2.8Å; T47-T49 VanDerWaalsContact C-N 3.31Å; T47-T49 PolarHBondContact O-N 3.49Å; T47-Y50 VanDerWaalsContact O-CD1 3.32Å; T47-Y50 WeakPolarHBondContact O-CD1 3.38Å; T47-Q88 WeakPolarHBondContact O-CG 3.41Å; T47-V92 HydrophobicContact CG2-CG2 4.41Å; T47-Q95 PolarHBondContact O-NE2 2.91Å; T47-L103 HydrophobicContact CG2-CB 4.11Å; T47-L103 HydrophobicContact CG2-CD2 3.76Å; T47-L103 HydrophobicContact CG2-CG 4.34Å; T47-L103 WeakPolarHBondContact OG1-CA 3.11Å; T47-D104 PolarHBondContact N-O 3.44Å; T47-D104 VanDerWaalsContact N-O 3.11Å; T47-D104 PolarHBondContact OG1-N 3.49Å; T47-D104 PolarHBondContact OG1-O 3.23Å; T47-L105 HydrophobicContact CG2-CD2 4.38Å
48M98.1Very high94Very high6 Ų651 Ų513%0.0327%0.273CS..G310 helixtrans-87.95.7-169.4-57.6-54.3-62.700113.9D46 Y50 C51 V92 L105 F120 T126 A128 T133D46-M48 PolarHBondContact O-N 2.84Å; M48-Y50 HydrophobicContact CE-CE1 3.82Å; M48-Y50 VanDerWaalsContact CE-OH 3.23Å; M48-Y50 WeakPolarHBondContact CE-OH 3.46Å; M48-Y50 PolarHBondContact O-N 3.31Å; M48-Y50 VanDerWaalsContact O-N 3.15Å; M48-Y50 HydrophobicContact SD-CE1 3.93Å; M48-C51 PolarHBondContact O-N 2.88Å; M48-C51 PolarHBondContact O-SG 3.12Å; M48-V92 HydrophobicContact SD-CB 4.25Å; M48-V92 HydrophobicContact SD-CG2 4.39Å; M48-L105 HydrophobicContact CG-CD2 3.87Å; M48-L105 HydrophobicContact SD-CD2 4.21Å; M48-F120 HydrophobicContact CB-CB 3.78Å; M48-F120 HydrophobicContact CB-CD1 4.34Å; M48-F120 HydrophobicContact CB-CD2 3.76Å; M48-F120 HydrophobicContact CB-CE2 4.43Å; M48-F120 HydrophobicContact CB-CG 3.69Å; M48-F120 HydrophobicContact CE-CD2 4.12Å; M48-F120 HydrophobicContact CE-CE2 3.84Å; M48-F120 HydrophobicContact CE-CZ 4.5Å; M48-F120 HydrophobicContact CG-CB 4.16Å; M48-F120 HydrophobicContact CG-CD1 3.76Å; M48-F120 HydrophobicContact CG-CD2 3.55Å; M48-F120 HydrophobicContact CG-CE1 3.96Å; M48-F120 HydrophobicContact CG-CE2 3.77Å; M48-F120 HydrophobicContact CG-CG 3.53Å; M48-F120 HydrophobicContact CG-CZ 3.95Å; M48-F120 HydrophobicContact SD-CE2 4.36Å; M48-T126 HydrophobicContact CB-CG2 4.11Å; M48-T126 WeakPolarHBondContact O-CG2 3.44Å; M48-A128 HydrophobicContact CE-CB 4.24Å; M48-T133 HydrophobicContact CE-CG2 3.48Å; M48-T133 VanDerWaalsContact CE-CG2 3.48Å; M48-T133 VanDerWaalsContact CE-OG1 3.29Å; M48-T133 WeakPolarHBondContact CE-OG1 3.19Å; M48-T133 HydrophobicContact SD-CG2 3.72Å
49T97.3Very high93.8Very high4 Ų444.9 Ų44.93%0.02525%0.245CC..G310 helixtrans-70.9-10.2-174.3580000115D46 T47 C51 L52 S85 T87 Q88 H122D46-T49 HydrophobicContact CB-CG2 3.64Å; D46-T49 VanDerWaalsContact O-CG2 3.26Å; D46-T49 WeakPolarHBondContact O-CG2 3.34Å; D46-T49 PolarHBondContact O-N 3.49Å; D46-T49 VanDerWaalsContact O-N 3.12Å; D46-T49 PolarHBondContact O-OG1 2.99Å; T47-T49 VanDerWaalsContact C-N 3.31Å; T47-T49 PolarHBondContact O-N 3.49Å; T49-C51 PolarHBondContact O-N 3.1Å; T49-L52 HydrophobicContact CG2-CD1 4Å; T49-L52 VanDerWaalsContact O-CG 3.32Å; T49-L52 WeakPolarHBondContact O-CG 3.29Å; T49-L52 PolarHBondContact O-N 2.98Å; T49-S85 VanDerWaalsContact CG2-O 3.29Å; T49-S85 WeakPolarHBondContact CG2-O 3.31Å; T49-T87 PolarHBondContact OG1-N 3.14Å; T49-T87 PolarHBondContact OG1-OG1 2.98Å; T49-Q88 PolarHBondContact OG1-N 3.03Å; T49-H122 HydrophobicContact CG2-CB 3.77Å
50Y95.9Very high93.4Very high61 Ų6148.7 Ų48.724%0.23926%0.261CS..G310 helixtrans-61.9-27.1172.667.7-93.7000112.6T47 M48 Q88 L90 D91 V92T47-Y50 VanDerWaalsContact O-CD1 3.32Å; T47-Y50 WeakPolarHBondContact O-CD1 3.38Å; M48-Y50 HydrophobicContact CE-CE1 3.82Å; M48-Y50 VanDerWaalsContact CE-OH 3.23Å; M48-Y50 WeakPolarHBondContact CE-OH 3.46Å; M48-Y50 PolarHBondContact O-N 3.31Å; M48-Y50 VanDerWaalsContact O-N 3.15Å; M48-Y50 HydrophobicContact SD-CE1 3.93Å; Y50-Q88 WeakPolarHBondContact CA-O 3.44Å; Y50-L90 WeakPolarHBondContact CB-O 3.29Å; Y50-L90 WeakPolarHBondContact CD1-O 3.43Å; Y50-D91 HydrophobicContact CD2-CB 3.79Å; Y50-D91 HydrophobicContact CE1-CB 4.36Å; Y50-D91 HydrophobicContact CE2-CB 3.38Å; Y50-D91 HydrophobicContact CG-CB 4.43Å; Y50-D91 VanDerWaalsContact CZ-CA 3.5Å; Y50-V92 HydrophobicContact CE1-CB 4.3Å; Y50-V92 PolarHBondContact OH-N 3.06Å
51C93.9Very high93Very high21 Ų2149.8 Ų49.814%0.14225%0.253CS..G310 helixtrans-101.322.4-179.268.60000113.8M48 T49 T126 T127M48-C51 PolarHBondContact O-N 2.88Å; M48-C51 PolarHBondContact O-SG 3.12Å; T49-C51 PolarHBondContact O-N 3.1Å; C51-T126 VanDerWaalsContact SG-CB 3.52Å; C51-T127 PolarHBondContact O-N 3.3Å; C51-T127 PolarHBondContact O-OG1 2.92Å
52L92.9Very high92.8Very high20 Ų2050.1 Ų50.111%0.10525%0.254CS..BIsolated β-bridgetrans-70.4140.7170.3-67.9175.7000111.5T49 L82 S85 V86 V124 T126T49-L52 HydrophobicContact CG2-CD1 4Å; T49-L52 VanDerWaalsContact O-CG 3.32Å; T49-L52 WeakPolarHBondContact O-CG 3.29Å; T49-L52 PolarHBondContact O-N 2.98Å; L52-L82 HydrophobicContact CB-CD1 3.45Å; L52-L82 VanDerWaalsContact CB-CD1 3.45Å; L52-L82 HydrophobicContact CD1-CD1 4.17Å; L52-L82 HydrophobicContact CG-CD1 4.45Å; L52-S85 VanDerWaalsContact CD1-CB 3.48Å; L52-V86 HydrophobicContact CB-CG2 4.43Å; L52-V86 HydrophobicContact CD1-CG2 3.96Å; L52-V124 HydrophobicContact CD2-CB 4.08Å; L52-V124 HydrophobicContact CD2-CG1 4.27Å; L52-V124 WeakPolarHBondContact CD2-O 3.28Å; L52-T126 HydrophobicContact CD2-CG2 3.82Å; L52-T126 HydrophobicContact CG-CG2 4.49Å
53N86.3Confident92.6Very high67 Ų6750.4 Ų50.436%0.35826%0.257SS..  trans-122.3139.3-179.1-166.1-41.3000111.5K55 S56 T127N53-K55 PolarHBondContact O-N 3.32Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 WeakPolarHBondContact OD1-CB 3.32Å; N53-K55 PolarHBondContact OD1-N 2.83Å; N53-S56 WeakPolarHBondContact O-CB 3.31Å; N53-S56 PolarHBondContact O-N 3.09Å; N53-T127 HydrophobicContact CB-CG2 3.81Å
54K80Confident92.4Very high136 Ų13659.4 Ų59.459%0.59128%0.277SS*.THydrogen-bonded Turntrans-57.8-22.3173.2-68.7-177.9-177.3176.30113.6L82K54-L82 HydrophobicContact CB-CD2 4.32Å; K54-L82 HydrophobicContact CD-CD2 4.2Å; K54-L82 HydrophobicContact CG-CD2 3.23Å
55K84.2Confident92.2Very high179 Ų17964.6 Ų64.678%0.77830%0.303SS*.THydrogen-bonded Turntrans-87.3-19.9178.2-62.1-176.2-177.7178.50112.7N53N53-K55 PolarHBondContact O-N 3.32Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 WeakPolarHBondContact OD1-CB 3.32Å; N53-K55 PolarHBondContact OD1-N 2.83Å
56S87.1Confident92Very high14 Ų1461.1 Ų61.110%0.09829%0.288CS..SBendtrans-64.6145.5177.7-650000110.6N53 Y125N53-S56 WeakPolarHBondContact O-CB 3.31Å; N53-S56 PolarHBondContact O-N 3.09Å; S56-Y125 WeakPolarHBondContact CB-O 3.23Å; S56-Y125 PolarHBondContact OG-O 3.31Å; S56-Y125 VanDerWaalsContact OG-O 3.06Å
57P90.3Very high91.9Very high20 Ų2062.6 Ų62.613%0.1330%0.295CS..PPolyproline II helixtrans-65148.9176.220.1-23.4000111.2M110 Y125P57-M110 HydrophobicContact CG-CE 3.85Å; P57-Y125 HydrophobicContact CB-CD2 4.33Å; P57-Y125 HydrophobicContact CG-CD2 3.81Å; P57-Y125 HydrophobicContact CG-CE2 4.32Å; P57-Y125 WeakPolarHBondContact O-CD2 3.29Å; P57-Y125 PolarHBondContact O-N 3.15Å
58I91.8Very high91.7Very high7 Ų767.9 Ų67.94%0.03632%0.323CS..BIsolated β-bridgetrans-71.8134.1165.1-66178000106.8H60 E62 L66 N70 V81 M123 V124I58-H60 PolarHBondContact O-N 3.04Å; I58-E62 HydrophobicContact CG2-CB 3.93Å; I58-E62 HydrophobicContact CG2-CG 3.74Å; I58-L66 HydrophobicContact CG2-CD2 4.1Å; I58-N70 HydrophobicContact CD1-CB 3.92Å; I58-V81 HydrophobicContact CD1-CB 4.42Å; I58-V81 HydrophobicContact CD1-CG1 4.29Å; I58-V81 HydrophobicContact CD1-CG2 4.12Å; I58-V81 HydrophobicContact CG1-CG1 4.35Å; I58-M123 CarbonylContact C-O 3.56Å; I58-M123 WeakPolarHBondContact CA-O 3.46Å; I58-M123 WeakPolarHBondContact CG2-O 3.25Å; I58-V124 HydrophobicContact CG1-CG2 4.21Å
59S92.2Very high91.5Very high1 Ų171 Ų711%0.00734%0.339CS..PPolyproline II helixtrans-46.9137.4177.5156.80000111.4E61 E62 Q67 M123 E157S59-E61 PolarHBondContact O-N 3.27Å; S59-E61 PolarHBondContact OG-N 2.92Å; S59-E61 VanDerWaalsContact OG-N 3.13Å; S59-E62 WeakPolarHBondContact O-CB 3.39Å; S59-E62 PolarHBondContact O-N 3.19Å; S59-Q67 PolarHBondContact O-NE2 2.91Å; S59-M123 PolarHBondContact N-O 3.26Å; S59-E157 PolarHBondContact OG-OE1 2.93Å; S59-E157 PolarHBondContact OG-OE2 3.1Å
60H88.1Confident91.4Very high112 Ų11271.6 Ų71.652%0.51934%0.342SS..THydrogen-bonded Turntrans-70.7-17.1179.6-68.3-64.4000112.8I58 E62I58-H60 PolarHBondContact O-N 3.04Å; H60-E62 VanDerWaalsContact C-N 3.26Å
61E88.6Confident91.3Very high143 Ų14376.7 Ų76.767%0.66837%0.365SS*.THydrogen-bonded Turntrans-79.2-10.1174.9-65.3-151.9170.700113.3S59 E157S59-E61 PolarHBondContact O-N 3.27Å; S59-E61 PolarHBondContact OG-N 2.92Å; S59-E61 VanDerWaalsContact OG-N 3.13Å; E61-E157 HydrophobicContact CG-CG 3.75Å
62E92.3Very high91.4Very high50 Ų5078.9 Ų78.923%0.23439%0.385CS..SBendtrans-65.5153.8173.3-68.4-57149.100113.2I58 S59 H60 L66 M123I58-E62 HydrophobicContact CG2-CB 3.93Å; I58-E62 HydrophobicContact CG2-CG 3.74Å; S59-E62 WeakPolarHBondContact O-CB 3.39Å; S59-E62 PolarHBondContact O-N 3.19Å; H60-E62 VanDerWaalsContact C-N 3.26Å; E62-L66 HydrophobicContact CB-CD2 3.93Å; E62-L66 HydrophobicContact CG-CD2 4.11Å; E62-M123 HydrophobicContact CG-CB 4.28Å; E62-M123 VanDerWaalsContact OE1-CA 3.3Å; E62-M123 WeakPolarHBondContact OE1-CA 3.5Å; E62-M123 VanDerWaalsContact OE1-SD 3.35Å; E62-M123 VanDerWaalsContact OE2-SD 3.38Å
63S93.8Very high91.6Very high66 Ų6682.1 Ų82.146%0.46240%0.402SS..  trans-53.6144.6-172.7730000113.8L65 L66 Q67S63-L65 PolarHBondContact O-N 3.06Å; S63-L65 VanDerWaalsContact O-N 3.12Å; S63-L66 WeakPolarHBondContact O-CA 3.36Å; S63-L66 WeakPolarHBondContact O-CB 3.36Å; S63-L66 PolarHBondContact O-N 2.94Å; S63-L66 WeakPolarHBondContact OG-CB 3.14Å; S63-L66 PolarHBondContact OG-N 2.99Å; S63-Q67 PolarHBondContact O-N 2.84Å
64R94Very high91.9Very high235 Ų23581.3 Ų81.389%0.88740%0.4SS*.Hα-helixtrans-55.4-33.3176.5-66.7-176.8-177.2-177.71.1113.1Q67 L68R64-Q67 PolarHBondContact O-N 3.4Å; R64-L68 WeakPolarHBondContact O-CB 3.44Å; R64-L68 PolarHBondContact O-N 2.9Å
65L95Very high92.5Very high114 Ų11480.4 Ų80.460%0.59741%0.41SS*.Hα-helixtrans-63.8-46.7174.3177.561.4000110.7S63 Q67 L68 L69S63-L65 PolarHBondContact O-N 3.06Å; S63-L65 VanDerWaalsContact O-N 3.12Å; L65-Q67 VanDerWaalsContact C-N 3.31Å; L65-Q67 PolarHBondContact O-N 2.76Å; L65-L68 PolarHBondContact O-N 2.87Å; L65-L69 HydrophobicContact CD1-CD1 4.29Å; L65-L69 HydrophobicContact CD1-CG 4.25Å; L65-L69 HydrophobicContact CG-CD1 4.08Å; L65-L69 HydrophobicContact CG-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.38Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.15Å; L65-L69 PolarHBondContact O-N 3.11Å
66L94.1Very high92.9Very high24 Ų2477 Ų7713%0.12640%0.399CS..Hα-helixtrans-62.5-41176.8-172.361000111.4I58 E62 S63 L68 L69 N70 T77 V81 M123I58-L66 HydrophobicContact CG2-CD2 4.1Å; E62-L66 HydrophobicContact CB-CD2 3.93Å; E62-L66 HydrophobicContact CG-CD2 4.11Å; S63-L66 WeakPolarHBondContact O-CA 3.36Å; S63-L66 WeakPolarHBondContact O-CB 3.36Å; S63-L66 PolarHBondContact O-N 2.94Å; S63-L66 WeakPolarHBondContact OG-CB 3.14Å; S63-L66 PolarHBondContact OG-N 2.99Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.26Å; L66-L69 PolarHBondContact O-N 2.86Å; L66-N70 WeakPolarHBondContact O-CB 3.38Å; L66-N70 PolarHBondContact O-N 2.89Å; L66-T77 HydrophobicContact CD1-CG2 3.68Å; L66-V81 HydrophobicContact CD1-CG2 3.73Å; L66-V81 HydrophobicContact CD2-CG2 4.12Å; L66-V81 HydrophobicContact CG-CG2 4.41Å; L66-M123 HydrophobicContact CD2-CE 3.85Å
67Q94.6Very high93.2Very high35 Ų3577 Ų7716%0.16440%0.398CS..Hα-helixtrans-61.1-41.1174.8-65.8-63.4-13.700112.2S59 S63 R64 L65 K71S59-Q67 PolarHBondContact O-NE2 2.91Å; S63-Q67 PolarHBondContact O-N 2.84Å; R64-Q67 PolarHBondContact O-N 3.4Å; L65-Q67 VanDerWaalsContact C-N 3.31Å; L65-Q67 PolarHBondContact O-N 2.76Å; Q67-K71 WeakPolarHBondContact O-CG 3.41Å; Q67-K71 PolarHBondContact O-N 3.12Å; Q67-K71 VanDerWaalsContact O-N 3.15Å
68L95.2Very high93.3Very high111 Ų11180.8 Ų80.858%0.58141%0.41SS*.Hα-helixtrans-66.4-44.9175.4-176.765.3000111.6R64 L65 L66 N70 K71 A72R64-L68 WeakPolarHBondContact O-CB 3.44Å; R64-L68 PolarHBondContact O-N 2.9Å; L65-L68 PolarHBondContact O-N 2.87Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.26Å; L68-N70 VanDerWaalsContact C-N 3.32Å; L68-N70 PolarHBondContact O-N 2.99Å; L68-K71 PolarHBondContact O-N 3.44Å; L68-A72 WeakPolarHBondContact O-CB 3Å; L68-A72 PolarHBondContact O-N 3.32Å
69L95.1Very high93.4Very high70 Ų7083.1 Ų83.137%0.36643%0.426SS..Hα-helixtrans-63.5-36.7177.3-72173.4000112.2L65 L66 K71 L73 T77L65-L69 HydrophobicContact CD1-CD1 4.29Å; L65-L69 HydrophobicContact CD1-CG 4.25Å; L65-L69 HydrophobicContact CG-CD1 4.08Å; L65-L69 HydrophobicContact CG-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.38Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.15Å; L65-L69 PolarHBondContact O-N 3.11Å; L66-L69 PolarHBondContact O-N 2.86Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-L73 CarbonylContact O-C 3.5Å; L69-L73 WeakPolarHBondContact O-CA 3.44Å; L69-L73 PolarHBondContact O-N 3.4Å; L69-T77 HydrophobicContact CB-CG2 4.17Å; L69-T77 PolarHBondContact O-OG1 3Å
70N94Very high93.5Very high18 Ų1886.4 Ų86.410%0.09645%0.446CS..Hα-helixtrans-64.9-38174.6-17840.8000111.4I58 L66 L68 P74 T77 R78I58-N70 HydrophobicContact CD1-CB 3.92Å; L66-N70 WeakPolarHBondContact O-CB 3.38Å; L66-N70 PolarHBondContact O-N 2.89Å; L68-N70 VanDerWaalsContact C-N 3.32Å; L68-N70 PolarHBondContact O-N 2.99Å; N70-P74 VanDerWaalsContact O-CA 3.32Å; N70-P74 WeakPolarHBondContact O-CA 3.28Å; N70-P74 VanDerWaalsContact O-CB 3.29Å; N70-P74 WeakPolarHBondContact O-CB 3.42Å; N70-P74 WeakPolarHBondContact O-CD 3.4Å; N70-T77 HydrophobicContact CB-CG2 4.18Å; N70-R78 VanDerWaalsContact OD1-CG 3.25Å; N70-R78 WeakPolarHBondContact OD1-CG 3.22Å; N70-R78 PolarHBondContact OD1-NE 3.3Å
71K93.9Very high93.9Very high167 Ų16781.5 Ų81.573%0.72642%0.423SS*.Hα-helixtrans-71.9-41.4175.7-71176.7-176.8-178.10112.7Q67 L68 L69Q67-K71 WeakPolarHBondContact O-CG 3.41Å; Q67-K71 PolarHBondContact O-N 3.12Å; Q67-K71 VanDerWaalsContact O-N 3.15Å; L68-K71 PolarHBondContact O-N 3.44Å; L69-K71 VanDerWaalsContact C-N 3.33Å
72A96.8Very high94.1Very high67 Ų6775.7 Ų75.755%0.55440%0.397SS*.Hα-helixtrans-79.8-38.6-175.700000113.3L68L68-A72 WeakPolarHBondContact O-CB 3Å; L68-A72 PolarHBondContact O-N 3.32Å
73L95.6Very high94.2Very high89 Ų8981.5 Ų81.547%0.46642%0.421SS..  trans-135.856.2-172.7-62.6172.6000112L69 C75 I76 T77L69-L73 CarbonylContact O-C 3.5Å; L69-L73 WeakPolarHBondContact O-CA 3.44Å; L69-L73 PolarHBondContact O-N 3.4Å; L73-C75 VanDerWaalsContact C-N 3.28Å; L73-C75 PolarHBondContact O-N 3.45Å; L73-I76 HydrophobicContact CB-CB 4.44Å; L73-I76 HydrophobicContact CD2-CD1 4.48Å; L73-I76 PolarHBondContact O-N 2.96Å; L73-T77 PolarHBondContact O-N 2.78Å; L73-T77 PolarHBondContact O-OG1 3.47Å; L73-T77 VanDerWaalsContact O-OG1 3.09Å
74P92.6Very high94.2Very high50 Ų5087.7 Ų87.733%0.32544%0.435SS..Hα-helixtrans-58.4-37.1-172.221.5-32.7000113.5N70 I76 R78N70-P74 VanDerWaalsContact O-CA 3.32Å; N70-P74 WeakPolarHBondContact O-CA 3.28Å; N70-P74 VanDerWaalsContact O-CB 3.29Å; N70-P74 WeakPolarHBondContact O-CB 3.42Å; N70-P74 WeakPolarHBondContact O-CD 3.4Å; P74-I76 PolarHBondContact O-N 2.93Å; P74-R78 WeakPolarHBondContact O-CB 3.32Å; P74-R78 WeakPolarHBondContact O-CG 3.32Å; P74-R78 PolarHBondContact O-N 3.33Å; P74-R78 VanDerWaalsContact O-N 3.11Å
75C92.8Very high94.3Very high116 Ų11676.5 Ų76.578%0.78439%0.393SS*.Hα-helixtrans-68.7-17.3-179-58.50000113.7L73 P79L73-C75 VanDerWaalsContact C-N 3.28Å; L73-C75 PolarHBondContact O-N 3.45Å; C75-P79 WeakPolarHBondContact O-CD 3.37Å; C75-P79 WeakPolarHBondContact O-CG 3.25Å
76I93.1Very high94.4Very high108 Ų10874.3 Ų74.355%0.55438%0.383SS*.Hα-helixtrans-102.3-48.8177-57.9175.8000109.6L73 P74 P79 V80L73-I76 HydrophobicContact CB-CB 4.44Å; L73-I76 HydrophobicContact CD2-CD1 4.48Å; L73-I76 PolarHBondContact O-N 2.96Å; P74-I76 PolarHBondContact O-N 2.93Å; I76-P79 WeakPolarHBondContact O-CD 3.08Å; I76-V80 VanDerWaalsContact O-CG2 3.31Å; I76-V80 WeakPolarHBondContact O-CG2 3.46Å; I76-V80 PolarHBondContact O-N 2.87Å
77T93.6Very high94.6Very high14 Ų1475.8 Ų75.89%0.08639%0.394CS..Hα-helixtrans-63.8-48.3-174.6-54.60000111.8L66 L69 N70 L73 V80 V81L66-T77 HydrophobicContact CD1-CG2 3.68Å; L69-T77 HydrophobicContact CB-CG2 4.17Å; L69-T77 PolarHBondContact O-OG1 3Å; N70-T77 HydrophobicContact CB-CG2 4.18Å; L73-T77 PolarHBondContact O-N 2.78Å; L73-T77 PolarHBondContact O-OG1 3.47Å; L73-T77 VanDerWaalsContact O-OG1 3.09Å; T77-V80 PolarHBondContact O-N 3.42Å; T77-V81 HydrophobicContact CG2-CG2 4.05Å; T77-V81 VanDerWaalsContact O-CG2 3.28Å; T77-V81 WeakPolarHBondContact O-CG2 3.4Å; T77-V81 PolarHBondContact O-N 2.9Å
78R93.4Very high94.7Very high100 Ų10076.1 Ų76.138%0.37740%0.395SS..Hα-helixtrans-64.2-45.5-174.3-65.7178.9176.1-172.9-7.6113.6N70 P74 V80 V81 L82N70-R78 VanDerWaalsContact OD1-CG 3.25Å; N70-R78 WeakPolarHBondContact OD1-CG 3.22Å; N70-R78 PolarHBondContact OD1-NE 3.3Å; P74-R78 WeakPolarHBondContact O-CB 3.32Å; P74-R78 WeakPolarHBondContact O-CG 3.32Å; P74-R78 PolarHBondContact O-N 3.33Å; P74-R78 VanDerWaalsContact O-N 3.11Å; R78-V80 VanDerWaalsContact C-N 3.31Å; R78-V80 PolarHBondContact O-N 2.85Å; R78-V81 PolarHBondContact O-N 3.12Å; R78-L82 WeakPolarHBondContact O-CB 3.38Å; R78-L82 PolarHBondContact O-N 3.37Å
79P93.3Very high94.8Very high56 Ų5675.5 Ų75.536%0.36441%0.406SS..Hα-helixtrans-61.7-36.7175.3-26.336.2000113.9C75 I76 K83C75-P79 WeakPolarHBondContact O-CD 3.37Å; C75-P79 WeakPolarHBondContact O-CG 3.25Å; I76-P79 WeakPolarHBondContact O-CD 3.08Å; P79-K83 WeakPolarHBondContact O-CB 3.42Å; P79-K83 PolarHBondContact O-N 2.77Å
80V94.4Very high94.9Very high70 Ų7075.8 Ų75.842%0.42441%0.408SS..Hα-helixtrans-68.6-48.7178.4173.60000110.5I76 T77 R78 L82 K83 W84I76-V80 VanDerWaalsContact O-CG2 3.31Å; I76-V80 WeakPolarHBondContact O-CG2 3.46Å; I76-V80 PolarHBondContact O-N 2.87Å; T77-V80 PolarHBondContact O-N 3.42Å; R78-V80 VanDerWaalsContact C-N 3.31Å; R78-V80 PolarHBondContact O-N 2.85Å; V80-L82 PolarHBondContact O-N 2.58Å; V80-K83 PolarHBondContact O-N 3.16Å; V80-W84 PolarHBondContact O-N 3.34Å
81V95.2Very high95.1Very high8 Ų877.5 Ų77.55%0.04842%0.417CS..Hα-helixtrans-57.4-51.4176.8172.60000110.1I58 L66 T77 R78 K83 W84 S85 M123 V124I58-V81 HydrophobicContact CD1-CB 4.42Å; I58-V81 HydrophobicContact CD1-CG1 4.29Å; I58-V81 HydrophobicContact CD1-CG2 4.12Å; I58-V81 HydrophobicContact CG1-CG1 4.35Å; L66-V81 HydrophobicContact CD1-CG2 3.73Å; L66-V81 HydrophobicContact CD2-CG2 4.12Å; L66-V81 HydrophobicContact CG-CG2 4.41Å; T77-V81 HydrophobicContact CG2-CG2 4.05Å; T77-V81 VanDerWaalsContact O-CG2 3.28Å; T77-V81 WeakPolarHBondContact O-CG2 3.4Å; T77-V81 PolarHBondContact O-N 2.9Å; R78-V81 PolarHBondContact O-N 3.12Å; V81-K83 VanDerWaalsContact C-N 3.27Å; V81-K83 PolarHBondContact O-N 3.17Å; V81-W84 CarbonylContact O-C 3.51Å; V81-W84 WeakPolarHBondContact O-CA 3.44Å; V81-W84 PolarHBondContact O-N 3.25Å; V81-S85 WeakPolarHBondContact O-CB 3.36Å; V81-S85 PolarHBondContact O-N 2.93Å; V81-S85 PolarHBondContact O-OG 2.88Å; V81-M123 HydrophobicContact CG1-CB 4.05Å; V81-M123 HydrophobicContact CG1-CE 4.08Å; V81-V124 HydrophobicContact CG1-CG2 3.63Å
82L94.1Very high95.3Very high22 Ų2269.6 Ų69.612%0.11538%0.382CS..Hα-helixtrans-56.7-42.8178.8-178.566.1000112L52 K54 R78 V80 W84 S85 V86L52-L82 HydrophobicContact CB-CD1 3.45Å; L52-L82 VanDerWaalsContact CB-CD1 3.45Å; L52-L82 HydrophobicContact CD1-CD1 4.17Å; L52-L82 HydrophobicContact CG-CD1 4.45Å; K54-L82 HydrophobicContact CB-CD2 4.32Å; K54-L82 HydrophobicContact CD-CD2 4.2Å; K54-L82 HydrophobicContact CG-CD2 3.23Å; R78-L82 WeakPolarHBondContact O-CB 3.38Å; R78-L82 PolarHBondContact O-N 3.37Å; V80-L82 PolarHBondContact O-N 2.58Å; L82-W84 VanDerWaalsContact C-N 3.25Å; L82-W84 PolarHBondContact O-N 2.98Å; L82-S85 PolarHBondContact O-N 2.82Å; L82-S85 VanDerWaalsContact O-N 3.14Å; L82-V86 HydrophobicContact CD1-CG2 4.07Å; L82-V86 HydrophobicContact CG-CG2 4.4Å; L82-V86 WeakPolarHBondContact O-CG2 3.37Å; L82-V86 PolarHBondContact O-N 3.49Å
83K93.7Very high95.4Very high171 Ų17167.7 Ų67.774%0.74336%0.364SS*.Hα-helixtrans-62.7-33.8178-176.8177179.1-178.60112.4P79 V80 V81P79-K83 WeakPolarHBondContact O-CB 3.42Å; P79-K83 PolarHBondContact O-N 2.77Å; V80-K83 PolarHBondContact O-N 3.16Å; V81-K83 VanDerWaalsContact C-N 3.27Å; V81-K83 PolarHBondContact O-N 3.17Å
84W94.4Very high95.6Very high197 Ų19767.7 Ų67.775%0.74636%0.361SS*.Hα-helixtrans-81.2-21.5177.6-74.428.6000112.1V80 V81 L82V80-W84 PolarHBondContact O-N 3.34Å; V81-W84 CarbonylContact O-C 3.51Å; V81-W84 WeakPolarHBondContact O-CA 3.44Å; V81-W84 PolarHBondContact O-N 3.25Å; L82-W84 VanDerWaalsContact C-N 3.25Å; L82-W84 PolarHBondContact O-N 2.98Å
85S95.8Very high95.9Very high0 Ų065.4 Ų65.40%035%0.347CS..Hα-helixtrans-84.7-26.2-177.8-67.50000115T49 L52 V81 L82 T87 H122 M123T49-S85 VanDerWaalsContact CG2-O 3.29Å; T49-S85 WeakPolarHBondContact CG2-O 3.31Å; L52-S85 VanDerWaalsContact CD1-CB 3.48Å; V81-S85 WeakPolarHBondContact O-CB 3.36Å; V81-S85 PolarHBondContact O-N 2.93Å; V81-S85 PolarHBondContact O-OG 2.88Å; L82-S85 PolarHBondContact O-N 2.82Å; L82-S85 VanDerWaalsContact O-N 3.14Å; S85-T87 PolarHBondContact O-N 3.23Å; S85-H122 VanDerWaalsContact CB-O 3.22Å; S85-H122 WeakPolarHBondContact CB-O 3.48Å; S85-H122 PolarHBondContact O-CD2 3.39Å; S85-H122 VanDerWaalsContact O-CD2 3.23Å; S85-H122 PolarHBondContact OG-O 3.03Å; S85-M123 WeakPolarHBondContact OG-CB 3.38Å
86V96.6Very high96.1Very high67 Ų6759.9 Ų59.941%0.40631%0.309SS..  trans-80.7121.3-175.4175.50000110.5L52 L82 Q88L52-V86 HydrophobicContact CB-CG2 4.43Å; L52-V86 HydrophobicContact CD1-CG2 3.96Å; L82-V86 HydrophobicContact CD1-CG2 4.07Å; L82-V86 HydrophobicContact CG-CG2 4.4Å; L82-V86 WeakPolarHBondContact O-CG2 3.37Å; L82-V86 PolarHBondContact O-N 3.49Å; V86-Q88 WeakPolarHBondContact CG1-O 3.43Å
87T97.8Very high96.4Very high55 Ų5556.9 Ų56.934%0.33729%0.294SS..  trans-113-25.8174.8650000112.6H45 D46 T49 S85H45-T87 PolarHBondContact O-OG1 2.87Å; D46-T87 HydrophobicContact CB-CG2 4.03Å; D46-T87 WeakPolarHBondContact CB-OG1 3.33Å; D46-T87 PolarHBondContact O-OG1 2.86Å; T49-T87 PolarHBondContact OG1-N 3.14Å; T49-T87 PolarHBondContact OG1-OG1 2.98Å; S85-T87 PolarHBondContact O-N 3.23Å
88Q97.9Very high96.6Very high42 Ų4258.7 Ų58.720%0.19631%0.311CS..  trans-117.6142.5-178.1-54.4-50.1-38.400112H45 T47 T49 Y50 V86H45-Q88 PolarHBondContact O-NE2 3.35Å; T47-Q88 WeakPolarHBondContact O-CG 3.41Å; T49-Q88 PolarHBondContact OG1-N 3.03Å; Y50-Q88 WeakPolarHBondContact CA-O 3.44Å; V86-Q88 WeakPolarHBondContact CG1-O 3.43Å
89A96.6Very high96.8Very high98 Ų9854.1 Ų54.181%0.8130%0.295SS*.  trans-106.4-24.8174.500000113.2
90L98.1Very high97.1Very high77 Ų7752.6 Ų52.640%0.40328%0.284SS..SBendtrans-90.6145.5179.9-62.9-178.8000110.1Y50 E94 Q95 A98Y50-L90 WeakPolarHBondContact CB-O 3.29Å; Y50-L90 WeakPolarHBondContact CD1-O 3.43Å; L90-E94 WeakPolarHBondContact CA-OE2 3.35Å; L90-E94 HydrophobicContact CB-CB 3.86Å; L90-E94 HydrophobicContact CD2-CB 4.31Å; L90-E94 HydrophobicContact CG-CB 4.45Å; L90-Q95 HydrophobicContact CB-CG 3.84Å; L90-Q95 PolarHBondContact O-NE2 2.88Å; L90-A98 HydrophobicContact CD1-CB 4.37Å
91D98.1Very high97.3Very high54 Ų5449.3 Ų49.329%0.28926%0.264SS..  trans-69.8172.8170.870.343.9000112.6Y50 T93 E94 Q95Y50-D91 HydrophobicContact CD2-CB 3.79Å; Y50-D91 HydrophobicContact CE1-CB 4.36Å; Y50-D91 HydrophobicContact CE2-CB 3.38Å; Y50-D91 HydrophobicContact CG-CB 4.43Å; Y50-D91 VanDerWaalsContact CZ-CA 3.5Å; D91-T93 VanDerWaalsContact C-N 3.35Å; D91-T93 PolarHBondContact O-N 3.49Å; D91-T93 PolarHBondContact OD1-N 2.93Å; D91-T93 VanDerWaalsContact OD1-N 3.13Å; D91-E94 PolarHBondContact N-OE2 3.25Å; D91-E94 PolarHBondContact O-N 3.21Å; D91-E94 WeakPolarHBondContact OD1-CB 3.5Å; D91-E94 WeakPolarHBondContact OD1-CG 3.36Å; D91-E94 PolarHBondContact OD1-N 3.46Å; D91-Q95 WeakPolarHBondContact O-CB 3.31Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.44Å; D91-Q95 PolarHBondContact O-NE2 3.44Å
92V98.4Very high97.4Very high0 Ų052.3 Ų52.30%028%0.275CS..Hα-helixtrans-64-40.2-173.268.60000111.9T47 M48 Y50 Q95 L96 L103 T133 E136 I137T47-V92 HydrophobicContact CG2-CG2 4.41Å; M48-V92 HydrophobicContact SD-CB 4.25Å; M48-V92 HydrophobicContact SD-CG2 4.39Å; Y50-V92 HydrophobicContact CE1-CB 4.3Å; Y50-V92 PolarHBondContact OH-N 3.06Å; V92-Q95 PolarHBondContact O-N 3.41Å; V92-L96 VanDerWaalsContact O-CG 3.31Å; V92-L96 WeakPolarHBondContact O-CG 3.26Å; V92-L96 PolarHBondContact O-N 3.49Å; V92-L103 HydrophobicContact CG2-CD1 3.94Å; V92-T133 HydrophobicContact CG1-CG2 4.44Å; V92-E136 HydrophobicContact CG1-CG 4.13Å; V92-E136 VanDerWaalsContact CG1-OE1 3.31Å; V92-E136 WeakPolarHBondContact CG1-OE1 3.29Å; V92-E136 WeakPolarHBondContact CG1-OE2 3.22Å; V92-I137 HydrophobicContact CG2-CD1 4.08Å; V92-I137 HydrophobicContact CG2-CG1 3.92Å
93T98.3Very high97.7Very high27 Ų2751.2 Ų51.217%0.16627%0.27CS..Hα-helixtrans-66.5-45.6176-70.80000110.9D91 Q95 L96 D97 E136D91-T93 VanDerWaalsContact C-N 3.35Å; D91-T93 PolarHBondContact O-N 3.49Å; D91-T93 PolarHBondContact OD1-N 2.93Å; D91-T93 VanDerWaalsContact OD1-N 3.13Å; T93-Q95 VanDerWaalsContact C-N 3.29Å; T93-Q95 PolarHBondContact O-N 2.87Å; T93-L96 WeakPolarHBondContact O-CB 3.45Å; T93-L96 PolarHBondContact O-N 3.11Å; T93-L96 VanDerWaalsContact O-N 3.1Å; T93-D97 PolarHBondContact O-N 2.94Å; T93-E136 WeakPolarHBondContact CB-OE1 3.45Å; T93-E136 WeakPolarHBondContact OG1-CG 3.44Å; T93-E136 PolarHBondContact OG1-OE1 3.23Å
94E98.4Very high97.9Very high89 Ų8943.5 Ų43.542%0.41624%0.237SC..Hα-helixtrans-61.1-36.4176.2-71.8177.7143.500112.4L90 D91 A98L90-E94 WeakPolarHBondContact CA-OE2 3.35Å; L90-E94 HydrophobicContact CB-CB 3.86Å; L90-E94 HydrophobicContact CD2-CB 4.31Å; L90-E94 HydrophobicContact CG-CB 4.45Å; D91-E94 PolarHBondContact N-OE2 3.25Å; D91-E94 PolarHBondContact O-N 3.21Å; D91-E94 WeakPolarHBondContact OD1-CB 3.5Å; D91-E94 WeakPolarHBondContact OD1-CG 3.36Å; D91-E94 PolarHBondContact OD1-N 3.46Å; E94-A98 VanDerWaalsContact O-CB 3.26Å; E94-A98 WeakPolarHBondContact O-CB 3.39Å; E94-A98 PolarHBondContact O-N 3.41Å
95Q98.7Very high98.1Very high3 Ų334.1 Ų34.11%0.01420%0.201CC..Hα-helixtrans-63.6-44.1173.1-73.7175.761.800111.4S44 T47 L90 D91 V92 T93 A98 G99 V100S44-Q95 PolarHBondContact OG-OE1 2.78Å; T47-Q95 PolarHBondContact O-NE2 2.91Å; L90-Q95 HydrophobicContact CB-CG 3.84Å; L90-Q95 PolarHBondContact O-NE2 2.88Å; D91-Q95 WeakPolarHBondContact O-CB 3.31Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.44Å; D91-Q95 PolarHBondContact O-NE2 3.44Å; V92-Q95 PolarHBondContact O-N 3.41Å; T93-Q95 VanDerWaalsContact C-N 3.29Å; T93-Q95 PolarHBondContact O-N 2.87Å; Q95-A98 PolarHBondContact O-N 3.26Å; Q95-G99 PolarHBondContact O-N 3.06Å; Q95-V100 HydrophobicContact CB-CB 4.22Å; Q95-V100 HydrophobicContact CB-CG2 4.16Å; Q95-V100 WeakPolarHBondContact O-CB 3.43Å; Q95-V100 WeakPolarHBondContact O-CG2 3.08Å; Q95-V100 PolarHBondContact O-N 3.31Å
96L98.7Very high98.2Very high0 Ų037 Ų370%021%0.212CC..Hα-helixtrans-64.4-43.5176.5-67.3171000111.5V92 T93 A98 G99 V100 R101 L103 I137 W140 V149V92-L96 VanDerWaalsContact O-CG 3.31Å; V92-L96 WeakPolarHBondContact O-CG 3.26Å; V92-L96 PolarHBondContact O-N 3.49Å; T93-L96 WeakPolarHBondContact O-CB 3.45Å; T93-L96 PolarHBondContact O-N 3.11Å; T93-L96 VanDerWaalsContact O-N 3.1Å; L96-A98 VanDerWaalsContact C-N 3.26Å; L96-A98 PolarHBondContact O-N 3.2Å; L96-G99 WeakPolarHBondContact O-CA 3.37Å; L96-G99 PolarHBondContact O-N 2.98Å; L96-V100 WeakPolarHBondContact CD2-O 3.33Å; L96-R101 PolarHBondContact O-NH1 2.97Å; L96-L103 HydrophobicContact CD2-CD1 4.34Å; L96-I137 HydrophobicContact CD1-CG1 4.4Å; L96-W140 HydrophobicContact CB-CD2 3.9Å; L96-W140 HydrophobicContact CB-CE3 4.44Å; L96-W140 HydrophobicContact CB-CG 4.3Å; L96-W140 HydrophobicContact CB-CH2 4.45Å; L96-W140 HydrophobicContact CB-CZ2 3.87Å; L96-W140 HydrophobicContact CD1-CB 4.01Å; L96-W140 HydrophobicContact CD1-CD2 3.73Å; L96-W140 HydrophobicContact CD1-CE3 4.03Å; L96-W140 HydrophobicContact CD1-CG 3.69Å; L96-W140 HydrophobicContact CG-CD2 4.34Å; L96-V149 HydrophobicContact CD2-CG1 4.23Å; L96-V149 HydrophobicContact CD2-CG2 3.69Å
97D98.4Very high98.3Very high44 Ų4433.8 Ų33.824%0.23519%0.192CC..Hα-helixtrans-64.1-32.1176.3-69.7-9.3000111.9N20 E21 T93 G99 W140N20-D97 CarbonylContact C-O 3.56Å; N20-D97 WeakPolarHBondContact CB-O 3.32Å; E21-D97 PolarHBondContact N-O 3.36Å; T93-D97 PolarHBondContact O-N 2.94Å; D97-G99 PolarHBondContact O-N 3.08Å; D97-W140 PolarHBondContact OD1-NE1 3.45Å
98A98.1Very high98.2Very high53 Ų5331.1 Ų31.144%0.43818%0.176SC..THydrogen-bonded Turntrans-74.3-7.1172.600000113.6L90 E94 Q95 L96L90-A98 HydrophobicContact CD1-CB 4.37Å; E94-A98 VanDerWaalsContact O-CB 3.26Å; E94-A98 WeakPolarHBondContact O-CB 3.39Å; E94-A98 PolarHBondContact O-N 3.41Å; Q95-A98 PolarHBondContact O-N 3.26Å; L96-A98 VanDerWaalsContact C-N 3.26Å; L96-A98 PolarHBondContact O-N 3.2Å
99G98.2Very high98.1Very high4 Ų430.7 Ų30.74%0.04117%0.174CC..THydrogen-bonded Turntrans105.61.4173.400000115.2N20 W23 P42 Q95 L96 D97 R101N20-G99 VanDerWaalsContact O-CA 3.3Å; N20-G99 WeakPolarHBondContact O-CA 3.45Å; W23-G99 PolarHBondContact NE1-O 2.89Å; P42-G99 WeakPolarHBondContact CG-O 3.42Å; Q95-G99 PolarHBondContact O-N 3.06Å; L96-G99 WeakPolarHBondContact O-CA 3.37Å; L96-G99 PolarHBondContact O-N 2.98Å; D97-G99 PolarHBondContact O-N 3.08Å; G99-R101 PolarHBondContact O-N 3.38Å
100V98.6Very high97.9Very high23 Ų2327.1 Ų27.114%0.13914%0.141CC..  trans-60.8134.9176.2178.50000109.9Q95 L96 Y102 L103Q95-V100 HydrophobicContact CB-CB 4.22Å; Q95-V100 HydrophobicContact CB-CG2 4.16Å; Q95-V100 WeakPolarHBondContact O-CB 3.43Å; Q95-V100 WeakPolarHBondContact O-CG2 3.08Å; Q95-V100 PolarHBondContact O-N 3.31Å; L96-V100 WeakPolarHBondContact CD2-O 3.33Å; V100-Y102 WeakPolarHBondContact CG1-O 3.26Å; V100-L103 HydrophobicContact CG1-CD2 3.59Å
101R98.6Very high97.4Very high1 Ų129.2 Ų29.20%0.00415%0.152CC..  trans-132.82.1178.1-66.5-65.3176.6-89.2-6.7113.6E21 W23 M24 I41 P42 L96 G99 E147 V148 I150E21-R101 PolarHBondContact O-NH2 3.47Å; W23-R101 HydrophobicContact CZ2-CG 3.94Å; M24-R101 HydrophobicContact SD-CG 3.89Å; I41-R101 HydrophobicContact CG2-CB 3.59Å; P42-R101 PolarHBondContact O-N 3.21Å; L96-R101 PolarHBondContact O-NH1 2.97Å; G99-R101 PolarHBondContact O-N 3.38Å; R101-E147 IonicContact CZ-OE2 3.72Å; R101-E147 VanDerWaalsContact CZ-OE2 3.23Å; R101-E147 IonicContact NE-OE2 2.74Å; R101-E147 PolarHBondContact NE-OE2 2.92Å; R101-E147 IonicContact NH2-OE2 3.67Å; R101-E147 PolarHBondContact NH2-OE2 3.47Å; R101-V148 VanDerWaalsContact CD-O 3.3Å; R101-V148 WeakPolarHBondContact CD-O 3.47Å; R101-I150 PolarHBondContact O-N 3.04Å
102Y98.8Very high96.6Very high71 Ų7132.5 Ų32.528%0.27817%0.166SC..EExtended strand (participates in β ladder)trans-123.1119.6170.5175.4-76.4000108.8P42 G43 S44 V100 D104 I150 A152 R154P42-Y102 PolarHBondContact O-N 2.91Å; G43-Y102 CarbonylContact C-O 3.52Å; G43-Y102 WeakPolarHBondContact CA-O 3.39Å; S44-Y102 PolarHBondContact N-O 3.36Å; V100-Y102 WeakPolarHBondContact CG1-O 3.26Å; Y102-D104 HydrophobicContact CE1-CB 4.35Å; Y102-I150 WeakPolarHBondContact CA-O 3.37Å; Y102-I150 HydrophobicContact CD2-CB 4.03Å; Y102-I150 HydrophobicContact CD2-CG2 3.67Å; Y102-I150 HydrophobicContact CE2-CG2 4.07Å; Y102-A152 HydrophobicContact CE1-CB 4.2Å; Y102-A152 HydrophobicContact CE2-CB 3.97Å; Y102-A152 VanDerWaalsContact OH-CB 3.29Å; Y102-A152 WeakPolarHBondContact OH-CB 3.47Å; Y102-R154 PolarHBondContact OH-NH2 2.98Å
103L98.8Very high95.8Very high0 Ų035.4 Ų35.40%020%0.196CC..EExtended strand (participates in β ladder)trans-114.6120.4-177.1-54.1-179000109.7T47 V92 L96 V100 L105 I137 V149 I150 L151 A152T47-L103 HydrophobicContact CG2-CB 4.11Å; T47-L103 HydrophobicContact CG2-CD2 3.76Å; T47-L103 HydrophobicContact CG2-CG 4.34Å; T47-L103 WeakPolarHBondContact OG1-CA 3.11Å; V92-L103 HydrophobicContact CG2-CD1 3.94Å; L96-L103 HydrophobicContact CD2-CD1 4.34Å; V100-L103 HydrophobicContact CG1-CD2 3.59Å; L103-L105 HydrophobicContact CB-CD2 4.16Å; L103-L105 HydrophobicContact CB-CG 4.31Å; L103-L105 PolarHBondContact O-N 3.17Å; L103-I137 HydrophobicContact CD1-CD1 3.71Å; L103-I137 HydrophobicContact CD1-CG1 4.23Å; L103-V149 HydrophobicContact CD1-CG1 3.92Å; L103-V149 HydrophobicContact CG-CG1 4.16Å; L103-I150 PolarHBondContact N-O 2.66Å; L103-L151 HydrophobicContact CB-CD2 4.23Å; L103-L151 HydrophobicContact CD1-CD2 3.84Å; L103-L151 HydrophobicContact CG-CD2 4.36Å; L103-A152 WeakPolarHBondContact O-CB 3.41Å; L103-A152 PolarHBondContact O-N 2.69Å
104D98.8Very high95.1Very high9 Ų937.8 Ų37.85%0.04821%0.213CC..EExtended strand (participates in β ladder)trans-86.3100174.5-173.535000110.3S44 H45 D46 T47 Y102 R106 R154S44-D104 WeakPolarHBondContact O-CB 3.24Å; S44-D104 PolarHBondContact O-N 3.49Å; H45-D104 IonicContact CD2-OD2 3.78Å; H45-D104 PolarHBondContact CD2-OD2 3.09Å; H45-D104 IonicContact NE2-OD2 2.82Å; D46-D104 PolarHBondContact N-OD2 3.41Å; T47-D104 PolarHBondContact N-O 3.44Å; T47-D104 VanDerWaalsContact N-O 3.11Å; T47-D104 PolarHBondContact OG1-N 3.49Å; T47-D104 PolarHBondContact OG1-O 3.23Å; Y102-D104 HydrophobicContact CE1-CB 4.35Å; D104-R106 IonicContact OD2-NE 3.64Å; D104-R106 IonicContact OD2-NH2 3.87Å; D104-R154 WeakPolarHBondContact OD1-CD 3.39Å; D104-R154 IonicContact OD1-NE 3.16Å; D104-R154 PolarHBondContact OD1-NE 2.78Å; D104-R154 VanDerWaalsContact OD1-NE 3.16Å
105L98.6Very high94.4Very high0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-103.896.3-173.6-61.3-171.9000110.4T47 M48 L103 I107 F120 L134 L151 A152 C153 R154T47-L105 HydrophobicContact CG2-CD2 4.38Å; M48-L105 HydrophobicContact CG-CD2 3.87Å; M48-L105 HydrophobicContact SD-CD2 4.21Å; L103-L105 HydrophobicContact CB-CD2 4.16Å; L103-L105 HydrophobicContact CB-CG 4.31Å; L103-L105 PolarHBondContact O-N 3.17Å; L105-I107 PolarHBondContact O-N 3.04Å; L105-F120 HydrophobicContact CB-CD1 4.29Å; L105-F120 HydrophobicContact CB-CE1 3.91Å; L105-F120 HydrophobicContact CD1-CE1 4.29Å; L105-F120 HydrophobicContact CD2-CD1 4.42Å; L105-F120 HydrophobicContact CD2-CE1 3.86Å; L105-F120 HydrophobicContact CD2-CZ 4.4Å; L105-F120 HydrophobicContact CG-CE1 4.22Å; L105-L134 HydrophobicContact CD1-CD2 4.24Å; L105-L151 HydrophobicContact CD1-CB 4.32Å; L105-L151 HydrophobicContact CD1-CD2 4.17Å; L105-A152 PolarHBondContact N-O 2.88Å; L105-C153 CarbonylContact O-C 3.55Å; L105-C153 WeakPolarHBondContact O-CA 3.07Å; L105-R154 PolarHBondContact O-N 3.22Å
106R98.1Very high93.9Very high59 Ų5947.1 Ų47.122%0.22326%0.255CS..EExtended strand (participates in β ladder)trans-87.3103176.5-61.7-163.3-176.6179.86.4110.7H45 D46 D104 F120 V121 R154 N155H45-R106 PolarHBondContact NE2-NH2 3.24Å; H45-R106 VanDerWaalsContact NE2-NH2 3.17Å; D46-R106 WeakPolarHBondContact OD1-CD 3.15Å; D46-R106 IonicContact OD1-CZ 3.12Å; D46-R106 IonicContact OD1-NE 2.83Å; D46-R106 PolarHBondContact OD1-NE 2.92Å; D46-R106 IonicContact OD1-NH1 3.59Å; D46-R106 IonicContact OD1-NH2 3.68Å; D46-R106 IonicContact OD2-CZ 3.58Å; D46-R106 IonicContact OD2-NE 3.99Å; D46-R106 IonicContact OD2-NH1 3.91Å; D46-R106 IonicContact OD2-NH2 3.5Å; D104-R106 IonicContact OD2-NE 3.64Å; D104-R106 IonicContact OD2-NH2 3.87Å; R106-F120 CarbonylContact O-C 3.54Å; R106-F120 WeakPolarHBondContact O-CA 3.22Å; R106-F120 WeakPolarHBondContact O-CB 3.45Å; R106-V121 HydrophobicContact CB-CG1 4.47Å; R106-V121 WeakPolarHBondContact CB-O 3.38Å; R106-V121 PolarHBondContact O-N 2.9Å; R106-R154 HydrophobicContact CG-CB 4.49Å; R106-N155 HydrophobicContact CB-CB 4.37Å; R106-N155 WeakPolarHBondContact CD-OD1 3.44Å
107I98.1Very high93.6Very high0 Ų047.9 Ų47.90%026%0.259CS..EExtended strand (participates in β ladder)trans-93.2139.8-170.2-62.5168.8000110.1L105 F120 V130 C153 R154 F156 E157 L159 L167L105-I107 PolarHBondContact O-N 3.04Å; I107-F120 HydrophobicContact CG1-CD1 4.24Å; I107-F120 HydrophobicContact CG1-CE1 4.19Å; I107-V130 HydrophobicContact CD1-CG1 4.33Å; I107-V130 HydrophobicContact CG1-CG2 4.19Å; I107-V130 HydrophobicContact CG2-CG2 4.03Å; I107-C153 HydrophobicContact CD1-CB 3.9Å; I107-R154 PolarHBondContact N-O 2.68Å; I107-F156 HydrophobicContact CB-CD1 4.38Å; I107-F156 HydrophobicContact CD1-CE1 4.3Å; I107-F156 CarbonylContact O-C 3.45Å; I107-F156 WeakPolarHBondContact O-CA 3.41Å; I107-F156 PolarHBondContact O-N 2.93Å; I107-E157 PolarHBondContact O-N 3.36Å; I107-L159 HydrophobicContact CG2-CD1 4.15Å; I107-L159 HydrophobicContact CG2-CD2 4.13Å; I107-L167 HydrophobicContact CD1-CD1 4.06Å; I107-L167 HydrophobicContact CD1-CD2 3.68Å; I107-L167 HydrophobicContact CG2-CD2 4.35Å
108A96.8Very high93.6Very high0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-145.4151.7176.300000112.3H119 V121 Y125 E157A108-H119 PolarHBondContact N-O 2.92Å; A108-H119 PolarHBondContact O-N 2.92Å; A108-H119 VanDerWaalsContact O-O 3.09Å; A108-V121 HydrophobicContact CB-CB 3.74Å; A108-V121 HydrophobicContact CB-CG1 3.61Å; A108-Y125 HydrophobicContact CB-CD1 4.11Å; A108-Y125 HydrophobicContact CB-CE1 3.7Å; A108-E157 CarbonylContact C-O 3.51Å; A108-E157 VanDerWaalsContact CA-O 3.25Å; A108-E157 WeakPolarHBondContact CA-O 3.3Å; A108-E157 HydrophobicContact CB-CB 3.73Å; A108-E157 HydrophobicContact CB-CG 4.27Å
109H96Very high93.5Very high32 Ų3244.1 Ų44.115%0.14823%0.231CC..EExtended strand (participates in β ladder)trans-86.2115.7168.6178.3-146.1000109.8L111 L118 E157 G158 L159 L163H109-L111 PolarHBondContact O-N 3.29Å; H109-L118 HydrophobicContact CB-CD2 4.11Å; H109-E157 PolarHBondContact N-O 3.32Å; H109-G158 WeakPolarHBondContact CB-O 3.36Å; H109-L159 HydrophobicContact CB-CD1 4.17Å; H109-L163 HydrophobicContact CB-CD1 3.87Å; H109-L163 VanDerWaalsContact CG-CD1 3.43Å; H109-L163 WeakPolarHBondContact ND1-CD1 3.39Å
110M91.8Very high93.5Very high23 Ų2344.1 Ų44.111%0.11323%0.23CC..  trans-87.8109.8174.4179170.716900109.3P57 E112 N117 H119 Y125P57-M110 HydrophobicContact CG-CE 3.85Å; M110-E112 HydrophobicContact CE-CB 3.84Å; M110-E112 HydrophobicContact CG-CB 4.39Å; M110-E112 PolarHBondContact O-N 2.85Å; M110-E112 VanDerWaalsContact O-N 3.1Å; M110-N117 WeakPolarHBondContact CB-ND2 3.46Å; M110-N117 PolarHBondContact N-O 3.24Å; M110-N117 PolarHBondContact O-ND2 3.48Å; M110-H119 HydrophobicContact CB-CB 4.42Å; M110-Y125 HydrophobicContact CB-CD1 4.12Å; M110-Y125 HydrophobicContact CB-CE1 4.47Å; M110-Y125 HydrophobicContact CB-CG 4.42Å; M110-Y125 HydrophobicContact CG-CG 4.34Å; M110-Y125 HydrophobicContact SD-CG 4.28Å
111L86.9Confident93.4Very high121 Ų12143.4 Ų43.463%0.63423%0.226SC*.SBendtrans-60.3-23.5-176-59.9177000113.9H109 G113H109-L111 PolarHBondContact O-N 3.29Å; L111-G113 PolarHBondContact O-N 2.77Å
112E80.9Confident93.3Very high124 Ų12445.1 Ų45.158%0.57923%0.233SC*.SBendtrans-84.391.7174.9-65.6-179.1-173.900109.8M110 N117M110-E112 HydrophobicContact CE-CB 3.84Å; M110-E112 HydrophobicContact CG-CB 4.39Å; M110-E112 PolarHBondContact O-N 2.85Å; M110-E112 VanDerWaalsContact O-N 3.1Å; E112-N117 PolarHBondContact O-ND2 3.14Å
113G81.6Confident93.1Very high61 Ų6144.1 Ų44.163%0.62923%0.232SC*.SBendtrans159.4-148.3176.400000114.5L111L111-G113 PolarHBondContact O-N 2.77Å
114S85.4Confident92.9Very high76 Ų7644.4 Ų44.453%0.53123%0.234SC..SBendtrans-73.2167.4173.266.50000111.6K116 N117S114-K116 PolarHBondContact O-N 2.84Å; S114-K116 VanDerWaalsContact O-N 3.12Å; S114-N117 WeakPolarHBondContact O-CB 3.42Å; S114-N117 PolarHBondContact O-N 3.04Å
115E83.4Confident92.7Very high178 Ų17844.2 Ų44.283%0.83223%0.232SC*.THydrogen-bonded Turntrans-62.3-19.2177.5-66.6-176.1164.900113.7L163E115-L163 WeakPolarHBondContact O-CD2 3.06Å
116K88Confident92.5Very high111 Ų11144.3 Ų44.348%0.48323%0.233SC..THydrogen-bonded Turntrans-115.833.1-176.8-69.8-178.7170.1-169.60112S114 L118 L163 Y166S114-K116 PolarHBondContact O-N 2.84Å; S114-K116 VanDerWaalsContact O-N 3.12Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.95Å; K116-L163 HydrophobicContact CG-CD2 4.49Å; K116-Y166 HydrophobicContact CB-CD1 3.99Å; K116-Y166 HydrophobicContact CB-CE1 3.63Å; K116-Y166 HydrophobicContact CD-CD1 4.12Å; K116-Y166 HydrophobicContact CD-CD2 3.69Å; K116-Y166 HydrophobicContact CD-CE1 4.08Å; K116-Y166 HydrophobicContact CD-CE2 3.64Å; K116-Y166 HydrophobicContact CD-CG 3.9Å; K116-Y166 HydrophobicContact CG-CD1 4.1Å; K116-Y166 HydrophobicContact CG-CE1 4.15Å; K116-Y166 HydrophobicContact CG-CG 4.25Å
117N92.5Very high92.3Very high15 Ų1545.2 Ų45.28%0.0825%0.245CC..  trans-82.571.1-170.9-166.946.9000111.9M110 E112 S114 H119M110-N117 WeakPolarHBondContact CB-ND2 3.46Å; M110-N117 PolarHBondContact N-O 3.24Å; M110-N117 PolarHBondContact O-ND2 3.48Å; E112-N117 PolarHBondContact O-ND2 3.14Å; S114-N117 WeakPolarHBondContact O-CB 3.42Å; S114-N117 PolarHBondContact O-N 3.04Å; N117-H119 VanDerWaalsContact CG-NE2 3.35Å; N117-H119 PolarHBondContact OD1-CD2 2.76Å; N117-H119 PolarHBondContact OD1-NE2 2.88Å
118L96.9Very high92.2Very high6 Ų646.3 Ų46.33%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-84.1122.2176.7-61.6-173.8000110.7H109 K116 L129 V130 L159 L163 Y166 L167H109-L118 HydrophobicContact CB-CD2 4.11Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.95Å; L118-L129 WeakPolarHBondContact O-CA 3.41Å; L118-V130 HydrophobicContact CB-CB 4.1Å; L118-V130 HydrophobicContact CB-CG2 3.89Å; L118-V130 PolarHBondContact O-N 3.19Å; L118-L159 HydrophobicContact CD2-CD1 3.93Å; L118-L159 HydrophobicContact CD2-CG 4.08Å; L118-L163 HydrophobicContact CD2-CB 4.47Å; L118-L163 HydrophobicContact CD2-CD2 4.13Å; L118-Y166 HydrophobicContact CD1-CD1 3.95Å; L118-Y166 HydrophobicContact CD1-CE1 4.29Å; L118-Y166 HydrophobicContact CG-CD1 4.45Å; L118-L167 HydrophobicContact CD1-CB 3.91Å; L118-L167 HydrophobicContact CD1-CD1 4.35Å
119H96.8Very high92.2Very high13 Ų1349 Ų496%0.0627%0.269CS..EExtended strand (participates in β ladder)trans-123-178.3176.2-72.5-99000109.5A108 M110 N117 T126 A128 L129A108-H119 PolarHBondContact N-O 2.92Å; A108-H119 PolarHBondContact O-N 2.92Å; A108-H119 VanDerWaalsContact O-O 3.09Å; M110-H119 HydrophobicContact CB-CB 4.42Å; N117-H119 VanDerWaalsContact CG-NE2 3.35Å; N117-H119 PolarHBondContact OD1-CD2 2.76Å; N117-H119 PolarHBondContact OD1-NE2 2.88Å; H119-T126 PolarHBondContact ND1-O 3.3Å; H119-A128 PolarHBondContact ND1-O 3.32Å; H119-A128 VanDerWaalsContact ND1-O 3.17Å; H119-L129 WeakPolarHBondContact NE2-CD2 3.39Å
120F97.6Very high92.2Very high4 Ų447.7 Ų47.72%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-99.7159167-50.3-87.1000111.1M48 L105 R106 I107 Y125 T126 V130 T133M48-F120 HydrophobicContact CB-CB 3.78Å; M48-F120 HydrophobicContact CB-CD1 4.34Å; M48-F120 HydrophobicContact CB-CD2 3.76Å; M48-F120 HydrophobicContact CB-CE2 4.43Å; M48-F120 HydrophobicContact CB-CG 3.69Å; M48-F120 HydrophobicContact CE-CD2 4.12Å; M48-F120 HydrophobicContact CE-CE2 3.84Å; M48-F120 HydrophobicContact CE-CZ 4.5Å; M48-F120 HydrophobicContact CG-CB 4.16Å; M48-F120 HydrophobicContact CG-CD1 3.76Å; M48-F120 HydrophobicContact CG-CD2 3.55Å; M48-F120 HydrophobicContact CG-CE1 3.96Å; M48-F120 HydrophobicContact CG-CE2 3.77Å; M48-F120 HydrophobicContact CG-CG 3.53Å; M48-F120 HydrophobicContact CG-CZ 3.95Å; M48-F120 HydrophobicContact SD-CE2 4.36Å; L105-F120 HydrophobicContact CB-CD1 4.29Å; L105-F120 HydrophobicContact CB-CE1 3.91Å; L105-F120 HydrophobicContact CD1-CE1 4.29Å; L105-F120 HydrophobicContact CD2-CD1 4.42Å; L105-F120 HydrophobicContact CD2-CE1 3.86Å; L105-F120 HydrophobicContact CD2-CZ 4.4Å; L105-F120 HydrophobicContact CG-CE1 4.22Å; R106-F120 CarbonylContact O-C 3.54Å; R106-F120 WeakPolarHBondContact O-CA 3.22Å; R106-F120 WeakPolarHBondContact O-CB 3.45Å; I107-F120 HydrophobicContact CG1-CD1 4.24Å; I107-F120 HydrophobicContact CG1-CE1 4.19Å; F120-Y125 WeakPolarHBondContact O-CA 3.32Å; F120-T126 WeakPolarHBondContact CA-OG1 3.49Å; F120-T126 HydrophobicContact CB-CG2 3.76Å; F120-T126 WeakPolarHBondContact CB-OG1 3.33Å; F120-T126 PolarHBondContact N-OG1 3.07Å; F120-T126 PolarHBondContact O-N 3.03Å; F120-T126 PolarHBondContact O-OG1 2.76Å; F120-T126 VanDerWaalsContact O-OG1 3.12Å; F120-V130 HydrophobicContact CD1-CG2 4.3Å; F120-V130 HydrophobicContact CD2-CG2 4.45Å; F120-V130 HydrophobicContact CE1-CG2 3.9Å; F120-V130 HydrophobicContact CE2-CG2 4.07Å; F120-V130 HydrophobicContact CZ-CB 4.16Å; F120-V130 HydrophobicContact CZ-CG1 4.31Å; F120-V130 HydrophobicContact CZ-CG2 3.79Å; F120-T133 HydrophobicContact CE2-CG2 4.05Å; F120-T133 HydrophobicContact CZ-CG2 3.84Å
121V96.4Very high92.5Very high8 Ų850.4 Ų50.45%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-139.9137.4-177.272.60000112.7R106 A108 Y125 E157R106-V121 HydrophobicContact CB-CG1 4.47Å; R106-V121 WeakPolarHBondContact CB-O 3.38Å; R106-V121 PolarHBondContact O-N 2.9Å; A108-V121 HydrophobicContact CB-CB 3.74Å; A108-V121 HydrophobicContact CB-CG1 3.61Å; V121-Y125 HydrophobicContact CB-CD1 4.14Å; V121-Y125 HydrophobicContact CB-CE1 4.36Å; V121-Y125 HydrophobicContact CG2-CD1 3.98Å; V121-Y125 HydrophobicContact CG2-CE1 4.04Å; V121-Y125 HydrophobicContact CG2-CG 4.43Å; V121-E157 HydrophobicContact CG1-CB 4.5Å
122H96.3Very high93Very high36 Ų3649.2 Ų49.217%0.16727%0.269CS..SBendtrans-15190162.6-171.787.5000109.9D46 T49 S85 V124D46-H122 IonicContact OD1-CE1 3.23Å; D46-H122 IonicContact OD1-CG 2.88Å; D46-H122 IonicContact OD1-ND1 2.69Å; D46-H122 PolarHBondContact OD1-ND1 3.27Å; D46-H122 IonicContact OD2-CE1 3.34Å; D46-H122 PolarHBondContact OD2-CE1 3.12Å; D46-H122 IonicContact OD2-CG 2.98Å; D46-H122 IonicContact OD2-ND1 3.9Å; D46-H122 PolarHBondContact OD2-ND1 3.02Å; D46-H122 IonicContact OD2-NE2 3.98Å; T49-H122 HydrophobicContact CG2-CB 3.77Å; S85-H122 VanDerWaalsContact CB-O 3.22Å; S85-H122 WeakPolarHBondContact CB-O 3.48Å; S85-H122 PolarHBondContact O-CD2 3.39Å; S85-H122 VanDerWaalsContact O-CD2 3.23Å; S85-H122 PolarHBondContact OG-O 3.03Å; H122-V124 PolarHBondContact N-O 3.03Å; H122-V124 PolarHBondContact O-N 2.62Å
123M94.6Very high93.8Very high50 Ų5043.5 Ų43.525%0.24624%0.243CC..SBendtrans58.6-28.6-164-40-115.1-59.100115.4I58 S59 E62 L66 V81 S85I58-M123 CarbonylContact C-O 3.56Å; I58-M123 WeakPolarHBondContact CA-O 3.46Å; I58-M123 WeakPolarHBondContact CG2-O 3.25Å; S59-M123 PolarHBondContact N-O 3.26Å; E62-M123 HydrophobicContact CG-CB 4.28Å; E62-M123 VanDerWaalsContact OE1-CA 3.3Å; E62-M123 WeakPolarHBondContact OE1-CA 3.5Å; E62-M123 VanDerWaalsContact OE1-SD 3.35Å; E62-M123 VanDerWaalsContact OE2-SD 3.38Å; L66-M123 HydrophobicContact CD2-CE 3.85Å; V81-M123 HydrophobicContact CG1-CB 4.05Å; V81-M123 HydrophobicContact CG1-CE 4.08Å; S85-M123 WeakPolarHBondContact OG-CB 3.38Å
124V94.9Very high94.6Very high6 Ų640.7 Ų40.74%0.03621%0.213CC..BIsolated β-bridgetrans-129.5142.6178.2179.70000107L52 I58 V81 H122L52-V124 HydrophobicContact CD2-CB 4.08Å; L52-V124 HydrophobicContact CD2-CG1 4.27Å; L52-V124 WeakPolarHBondContact CD2-O 3.28Å; I58-V124 HydrophobicContact CG1-CG2 4.21Å; V81-V124 HydrophobicContact CG1-CG2 3.63Å; H122-V124 PolarHBondContact N-O 3.03Å; H122-V124 PolarHBondContact O-N 2.62Å
125Y95.1Very high95.2Very high5 Ų539.4 Ų39.42%0.0220%0.202CC..EExtended strand (participates in β ladder)trans-72.5140.7174.9-60.9-85.2000111S56 P57 A108 M110 F120 V121 E157S56-Y125 WeakPolarHBondContact CB-O 3.23Å; S56-Y125 PolarHBondContact OG-O 3.31Å; S56-Y125 VanDerWaalsContact OG-O 3.06Å; P57-Y125 HydrophobicContact CB-CD2 4.33Å; P57-Y125 HydrophobicContact CG-CD2 3.81Å; P57-Y125 HydrophobicContact CG-CE2 4.32Å; P57-Y125 WeakPolarHBondContact O-CD2 3.29Å; P57-Y125 PolarHBondContact O-N 3.15Å; A108-Y125 HydrophobicContact CB-CD1 4.11Å; A108-Y125 HydrophobicContact CB-CE1 3.7Å; M110-Y125 HydrophobicContact CB-CD1 4.12Å; M110-Y125 HydrophobicContact CB-CE1 4.47Å; M110-Y125 HydrophobicContact CB-CG 4.42Å; M110-Y125 HydrophobicContact CG-CG 4.34Å; M110-Y125 HydrophobicContact SD-CG 4.28Å; F120-Y125 WeakPolarHBondContact O-CA 3.32Å; V121-Y125 HydrophobicContact CB-CD1 4.14Å; V121-Y125 HydrophobicContact CB-CE1 4.36Å; V121-Y125 HydrophobicContact CG2-CD1 3.98Å; V121-Y125 HydrophobicContact CG2-CE1 4.04Å; V121-Y125 HydrophobicContact CG2-CG 4.43Å; Y125-E157 PolarHBondContact OH-OE1 2.84Å
126T95.2Very high96Very high2 Ų233.8 Ų33.81%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-68.8168.3168.9590000111M48 C51 L52 H119 F120 A128M48-T126 HydrophobicContact CB-CG2 4.11Å; M48-T126 WeakPolarHBondContact O-CG2 3.44Å; C51-T126 VanDerWaalsContact SG-CB 3.52Å; L52-T126 HydrophobicContact CD2-CG2 3.82Å; L52-T126 HydrophobicContact CG-CG2 4.49Å; H119-T126 PolarHBondContact ND1-O 3.3Å; F120-T126 WeakPolarHBondContact CA-OG1 3.49Å; F120-T126 HydrophobicContact CB-CG2 3.76Å; F120-T126 WeakPolarHBondContact CB-OG1 3.33Å; F120-T126 PolarHBondContact N-OG1 3.07Å; F120-T126 PolarHBondContact O-N 3.03Å; F120-T126 PolarHBondContact O-OG1 2.76Å; F120-T126 VanDerWaalsContact O-OG1 3.12Å; T126-A128 PolarHBondContact OG1-O 3.26Å
127T93.5Very high96.5Very high78 Ų7828.5 Ų28.548%0.47915%0.153SC..EExtended strand (participates in β ladder)trans-93.9-14.4170.157.60000113.4C51 N53C51-T127 PolarHBondContact O-N 3.3Å; C51-T127 PolarHBondContact O-OG1 2.92Å; N53-T127 HydrophobicContact CB-CG2 3.81Å
128A95.1Very high96.7Very high23 Ų2328.2 Ų28.219%0.1915%0.152CC..EExtended strand (participates in β ladder)trans-80.9135.3-179.600000111.6M48 H119 T126M48-A128 HydrophobicContact CE-CB 4.24Å; H119-A128 PolarHBondContact ND1-O 3.32Å; H119-A128 VanDerWaalsContact ND1-O 3.17Å; T126-A128 PolarHBondContact OG1-O 3.26Å
129L96.4Very high96.8Very high58 Ų5833 Ų3330%0.30418%0.175SC..EExtended strand (participates in β ladder)trans-76.8144.2172.1-68.5172.2000110.6L118 H119 E131 D132 T133L118-L129 WeakPolarHBondContact O-CA 3.41Å; H119-L129 WeakPolarHBondContact NE2-CD2 3.39Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.39Å; L129-D132 HydrophobicContact CB-CB 4.23Å; L129-D132 PolarHBondContact O-N 3.34Å; L129-T133 PolarHBondContact O-N 3.48Å; L129-T133 VanDerWaalsContact O-N 3.09Å; L129-T133 PolarHBondContact O-OG1 2.96Å
130V97.8Very high96.9Very high3 Ų332.4 Ų32.42%0.01817%0.172CC..Hα-helixtrans-60.3-44.4177.1174.80000111.1I107 L118 F120 D132 T133 L134 L167I107-V130 HydrophobicContact CD1-CG1 4.33Å; I107-V130 HydrophobicContact CG1-CG2 4.19Å; I107-V130 HydrophobicContact CG2-CG2 4.03Å; L118-V130 HydrophobicContact CB-CB 4.1Å; L118-V130 HydrophobicContact CB-CG2 3.89Å; L118-V130 PolarHBondContact O-N 3.19Å; F120-V130 HydrophobicContact CD1-CG2 4.3Å; F120-V130 HydrophobicContact CD2-CG2 4.45Å; F120-V130 HydrophobicContact CE1-CG2 3.9Å; F120-V130 HydrophobicContact CE2-CG2 4.07Å; F120-V130 HydrophobicContact CZ-CB 4.16Å; F120-V130 HydrophobicContact CZ-CG1 4.31Å; F120-V130 HydrophobicContact CZ-CG2 3.79Å; V130-D132 PolarHBondContact O-N 3.26Å; V130-T133 PolarHBondContact O-N 3.41Å; V130-L134 HydrophobicContact CG1-CD1 3.87Å; V130-L134 HydrophobicContact CG1-CG 4.14Å; V130-L134 WeakPolarHBondContact O-CB 3.31Å; V130-L134 VanDerWaalsContact O-CG 3.26Å; V130-L134 WeakPolarHBondContact O-CG 3.45Å; V130-L134 PolarHBondContact O-N 2.98Å; V130-L167 HydrophobicContact CG1-CD1 3.7Å
131E97.3Very high96.9Very high80 Ų8033.4 Ų33.437%0.37418%0.177SC..Hα-helixtrans-61.4-44.9-179.4-172.7169.9179.600112.2L129 L134 T135 Y166 I174L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.39Å; E131-L134 PolarHBondContact O-N 2.8Å; E131-T135 WeakPolarHBondContact O-CB 3.46Å; E131-T135 PolarHBondContact O-N 3.38Å; E131-T135 PolarHBondContact O-OG1 3.45Å; E131-Y166 PolarHBondContact OE2-OH 3.16Å; E131-I174 HydrophobicContact CG-CD1 4.21Å
132D97.4Very high96.9Very high97 Ų9739.6 Ų39.652%0.51921%0.205SC..Hα-helixtrans-62.2-46177.5-64.6-13.3000111.1L129 V130 T135 E136L129-D132 HydrophobicContact CB-CB 4.23Å; L129-D132 PolarHBondContact O-N 3.34Å; V130-D132 PolarHBondContact O-N 3.26Å; D132-T135 WeakPolarHBondContact O-CB 3.33Å; D132-T135 PolarHBondContact O-N 2.99Å; D132-E136 PolarHBondContact O-N 3.03Å
133T98.1Very high97Very high3 Ų344.1 Ų44.12%0.01822%0.221CC..Hα-helixtrans-64.6-41.2178.2-64.20000112.4M48 V92 F120 L129 V130 T135 E136 I137M48-T133 HydrophobicContact CE-CG2 3.48Å; M48-T133 VanDerWaalsContact CE-CG2 3.48Å; M48-T133 VanDerWaalsContact CE-OG1 3.29Å; M48-T133 WeakPolarHBondContact CE-OG1 3.19Å; M48-T133 HydrophobicContact SD-CG2 3.72Å; V92-T133 HydrophobicContact CG1-CG2 4.44Å; F120-T133 HydrophobicContact CE2-CG2 4.05Å; F120-T133 HydrophobicContact CZ-CG2 3.84Å; L129-T133 PolarHBondContact O-N 3.48Å; L129-T133 VanDerWaalsContact O-N 3.09Å; L129-T133 PolarHBondContact O-OG1 2.96Å; V130-T133 PolarHBondContact O-N 3.41Å; T133-T135 VanDerWaalsContact C-N 3.29Å; T133-T135 PolarHBondContact O-N 3.35Å; T133-E136 PolarHBondContact O-N 3.37Å; T133-I137 HydrophobicContact CG2-CD1 4.01Å; T133-I137 WeakPolarHBondContact O-CD1 3.35Å; T133-I137 VanDerWaalsContact O-CG1 3.28Å; T133-I137 WeakPolarHBondContact O-CG1 3.3Å; T133-I137 PolarHBondContact O-N 2.91Å
134L98.5Very high97.1Very high2 Ų242.1 Ų42.11%0.0121%0.211CC..Hα-helixtrans-64.2-38.2175.8-69.7179.7000111.2L105 V130 E131 I137 S138 L151 I171 I174 F175L105-L134 HydrophobicContact CD1-CD2 4.24Å; V130-L134 HydrophobicContact CG1-CD1 3.87Å; V130-L134 HydrophobicContact CG1-CG 4.14Å; V130-L134 WeakPolarHBondContact O-CB 3.31Å; V130-L134 VanDerWaalsContact O-CG 3.26Å; V130-L134 WeakPolarHBondContact O-CG 3.45Å; V130-L134 PolarHBondContact O-N 2.98Å; E131-L134 PolarHBondContact O-N 2.8Å; L134-I137 PolarHBondContact O-N 2.86Å; L134-S138 PolarHBondContact O-N 3.19Å; L134-L151 HydrophobicContact CD2-CD1 3.79Å; L134-I171 HydrophobicContact CD1-CG1 3.73Å; L134-I174 HydrophobicContact CB-CD1 3.7Å; L134-F175 HydrophobicContact CB-CE2 3.97Å; L134-F175 HydrophobicContact CB-CZ 4.19Å; L134-F175 HydrophobicContact CD2-CE2 3.98Å; L134-F175 HydrophobicContact CD2-CZ 4.25Å; L134-F175 HydrophobicContact CG-CE2 4.36Å; L134-F175 VanDerWaalsContact O-CZ 3.31Å; L134-F175 WeakPolarHBondContact O-CZ 3.5Å
135T98.3Very high97.1Very high49 Ų4947.2 Ų47.230%0.30124%0.244SC..Hα-helixtrans-63.3-46.7175-55.80000111E131 D132 T133 I137 S138 E139E131-T135 WeakPolarHBondContact O-CB 3.46Å; E131-T135 PolarHBondContact O-N 3.38Å; E131-T135 PolarHBondContact O-OG1 3.45Å; D132-T135 WeakPolarHBondContact O-CB 3.33Å; D132-T135 PolarHBondContact O-N 2.99Å; T133-T135 VanDerWaalsContact C-N 3.29Å; T133-T135 PolarHBondContact O-N 3.35Å; T135-I137 VanDerWaalsContact C-N 3.32Å; T135-I137 PolarHBondContact O-N 2.92Å; T135-S138 WeakPolarHBondContact O-CB 3.21Å; T135-S138 PolarHBondContact O-N 3.42Å; T135-E139 HydrophobicContact CG2-CG 4.49Å; T135-E139 WeakPolarHBondContact O-CG 3.42Å; T135-E139 PolarHBondContact O-N 2.87Å
136E98.4Very high97.1Very high60 Ų6054.2 Ų54.228%0.2827%0.271SS..Hα-helixtrans-57.6-42.9176.3-174.7-178.3169.500112.1V92 T93 D132 T133 E139 W140V92-E136 HydrophobicContact CG1-CG 4.13Å; V92-E136 VanDerWaalsContact CG1-OE1 3.31Å; V92-E136 WeakPolarHBondContact CG1-OE1 3.29Å; V92-E136 WeakPolarHBondContact CG1-OE2 3.22Å; T93-E136 WeakPolarHBondContact CB-OE1 3.45Å; T93-E136 WeakPolarHBondContact OG1-CG 3.44Å; T93-E136 PolarHBondContact OG1-OE1 3.23Å; D132-E136 PolarHBondContact O-N 3.03Å; T133-E136 PolarHBondContact O-N 3.37Å; E136-E139 PolarHBondContact O-N 3.45Å; E136-W140 PolarHBondContact O-N 3.2Å
137I98.6Very high97.2Very high1 Ų154.7 Ų54.71%0.00527%0.273CS..Hα-helixtrans-64.3-40.3175.4-66.2162000111.2V92 L96 L103 T133 L134 T135 W140 L141 V149 L151 F175V92-I137 HydrophobicContact CG2-CD1 4.08Å; V92-I137 HydrophobicContact CG2-CG1 3.92Å; L96-I137 HydrophobicContact CD1-CG1 4.4Å; L103-I137 HydrophobicContact CD1-CD1 3.71Å; L103-I137 HydrophobicContact CD1-CG1 4.23Å; T133-I137 HydrophobicContact CG2-CD1 4.01Å; T133-I137 WeakPolarHBondContact O-CD1 3.35Å; T133-I137 VanDerWaalsContact O-CG1 3.28Å; T133-I137 WeakPolarHBondContact O-CG1 3.3Å; T133-I137 PolarHBondContact O-N 2.91Å; L134-I137 PolarHBondContact O-N 2.86Å; T135-I137 VanDerWaalsContact C-N 3.32Å; T135-I137 PolarHBondContact O-N 2.92Å; I137-W140 WeakPolarHBondContact O-CB 3.33Å; I137-W140 PolarHBondContact O-N 3.36Å; I137-L141 HydrophobicContact CG2-CD1 4.23Å; I137-L141 WeakPolarHBondContact O-CG 3.21Å; I137-L141 PolarHBondContact O-N 3.05Å; I137-V149 HydrophobicContact CG2-CG1 4.28Å; I137-L151 HydrophobicContact CD1-CD2 3.95Å; I137-L151 HydrophobicContact CG2-CD2 4.37Å; I137-F175 HydrophobicContact CG2-CE1 4.4Å; I137-F175 HydrophobicContact CG2-CZ 4.42Å
138S98.3Very high97.4Very high8 Ų854 Ų546%0.05627%0.268CS..Hα-helixtrans-62.6-48.7177.1-168.60000111.7L134 T135 W140 L141 E142 I174 M178L134-S138 PolarHBondContact O-N 3.19Å; T135-S138 WeakPolarHBondContact O-CB 3.21Å; T135-S138 PolarHBondContact O-N 3.42Å; S138-W140 PolarHBondContact O-N 2.95Å; S138-L141 PolarHBondContact O-N 2.96Å; S138-E142 PolarHBondContact O-N 3.49Å; S138-I174 VanDerWaalsContact CB-CG2 3.49Å; S138-M178 PolarHBondContact OG-SD 3.24Å
139E98.1Very high97.5Very high108 Ų10854 Ų5451%0.50527%0.266SS..Hα-helixtrans-61.1-31.6176.3-69.4178.4169.800112.2T135 E136 R143T135-E139 HydrophobicContact CG2-CG 4.49Å; T135-E139 WeakPolarHBondContact O-CG 3.42Å; T135-E139 PolarHBondContact O-N 2.87Å; E136-E139 PolarHBondContact O-N 3.45Å; E139-R143 PolarHBondContact O-NE 3.13Å; E139-R143 VanDerWaalsContact O-NE 3.16Å
140W98.3Very high97.6Very high0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-66.8-50.6170.6-170.798.2000111E21 L96 D97 E136 I137 S138 E142 R143 H144 E147 V149E21-W140 WeakPolarHBondContact O-CH2 3.42Å; E21-W140 WeakPolarHBondContact O-CZ2 3.45Å; L96-W140 HydrophobicContact CB-CD2 3.9Å; L96-W140 HydrophobicContact CB-CE3 4.44Å; L96-W140 HydrophobicContact CB-CG 4.3Å; L96-W140 HydrophobicContact CB-CH2 4.45Å; L96-W140 HydrophobicContact CB-CZ2 3.87Å; L96-W140 HydrophobicContact CD1-CB 4.01Å; L96-W140 HydrophobicContact CD1-CD2 3.73Å; L96-W140 HydrophobicContact CD1-CE3 4.03Å; L96-W140 HydrophobicContact CD1-CG 3.69Å; L96-W140 HydrophobicContact CG-CD2 4.34Å; D97-W140 PolarHBondContact OD1-NE1 3.45Å; E136-W140 PolarHBondContact O-N 3.2Å; I137-W140 WeakPolarHBondContact O-CB 3.33Å; I137-W140 PolarHBondContact O-N 3.36Å; S138-W140 PolarHBondContact O-N 2.95Å; W140-E142 VanDerWaalsContact C-N 3.28Å; W140-E142 PolarHBondContact O-N 3.01Å; W140-R143 WeakPolarHBondContact O-CB 3.44Å; W140-R143 PolarHBondContact O-N 3.48Å; W140-H144 AromaticContact CD1-CD2 3.95Å; W140-H144 HydrophobicContact CD2-CB 4.43Å; W140-H144 AromaticContact CD2-CD2 3.47Å; W140-H144 VanDerWaalsContact CD2-CD2 3.47Å; W140-H144 AromaticContact CE2-CD2 3.21Å; W140-H144 AromaticContact CE2-CG 3.83Å; W140-H144 AromaticContact CE2-NE2 3.67Å; W140-H144 HydrophobicContact CE3-CB 4.07Å; W140-H144 AromaticContact CE3-CD2 3.99Å; W140-H144 AromaticContact CG-CD2 3.89Å; W140-H144 HydrophobicContact CH2-CB 3.7Å; W140-H144 AromaticContact CH2-CD2 3.97Å; W140-H144 AromaticContact CH2-CG 3.72Å; W140-H144 HydrophobicContact CZ2-CB 4.14Å; W140-H144 AromaticContact CZ2-CD2 3.5Å; W140-H144 VanDerWaalsContact CZ2-CD2 3.5Å; W140-H144 WeakPolarHBondContact CZ2-CD2 3.19Å; W140-H144 AromaticContact CZ2-CG 3.62Å; W140-H144 AromaticContact CZ2-NE2 3.94Å; W140-H144 HydrophobicContact CZ3-CB 3.69Å; W140-H144 AromaticContact NE1-CD2 3.54Å; W140-H144 AromaticContact NE1-NE2 3.59Å; W140-H144 PolarHBondContact O-CD2 2.97Å; W140-H144 PolarHBondContact O-N 2.9Å; W140-H144 VanDerWaalsContact O-N 3.13Å; W140-E147 HydrophobicContact CH2-CB 3.9Å; W140-E147 HydrophobicContact CH2-CG 3.82Å; W140-E147 HydrophobicContact CZ3-CB 3.79Å; W140-E147 HydrophobicContact CZ3-CG 4.19Å; W140-V149 HydrophobicContact CE3-CG2 4.44Å; W140-V149 HydrophobicContact CZ3-CG2 4.14Å
141L98.2Very high97.7Very high24 Ų2456.4 Ų56.413%0.12628%0.278CS..Hα-helixtrans-59-35.1178.9-75.8167.1000113.3I137 S138 R143 H144 V149 F175 M178I137-L141 HydrophobicContact CG2-CD1 4.23Å; I137-L141 WeakPolarHBondContact O-CG 3.21Å; I137-L141 PolarHBondContact O-N 3.05Å; S138-L141 PolarHBondContact O-N 2.96Å; L141-R143 VanDerWaalsContact C-N 3.26Å; L141-R143 PolarHBondContact O-N 3.28Å; L141-H144 CarbonylContact O-C 3.12Å; L141-H144 PolarHBondContact O-N 3.31Å; L141-V149 HydrophobicContact CD2-CB 4.33Å; L141-V149 HydrophobicContact CD2-CG2 3.82Å; L141-V149 HydrophobicContact CG-CG2 4.34Å; L141-F175 HydrophobicContact CD1-CE1 4.21Å; L141-M178 HydrophobicContact CB-CE 3.41Å; L141-M178 VanDerWaalsContact CB-CE 3.41Å; L141-M178 HydrophobicContact CD1-CE 4.14Å; L141-M178 HydrophobicContact CD1-SD 4.49Å; L141-M178 HydrophobicContact CG-CE 4.4Å
142E97.3Very high97.7Very high139 Ų13953.2 Ų53.265%0.6527%0.265SS*.Hα-helixtrans-60-34.9174.1-72.5-176.1168.600112.9S138 W140 H144S138-E142 PolarHBondContact O-N 3.49Å; W140-E142 VanDerWaalsContact C-N 3.28Å; W140-E142 PolarHBondContact O-N 3.01Å; E142-H144 VanDerWaalsContact C-N 3.35Å
143R96.9Very high97.7Very high130 Ų13050.5 Ų50.549%0.49125%0.254SS..Hα-helixtrans-80.9-18.2176.3-67179.1-73.3112.9-15.1112.9E139 W140 L141 P145E139-R143 PolarHBondContact O-NE 3.13Å; E139-R143 VanDerWaalsContact O-NE 3.16Å; W140-R143 WeakPolarHBondContact O-CB 3.44Å; W140-R143 PolarHBondContact O-N 3.48Å; L141-R143 VanDerWaalsContact C-N 3.26Å; L141-R143 PolarHBondContact O-N 3.28Å; R143-P145 VanDerWaalsContact C-CD 3.46Å; R143-P145 WeakPolarHBondContact O-CD 3.42Å
144H97.3Very high97.6Very high8 Ų855.7 Ų55.74%0.03727%0.273CS..SBendtrans-125.861.6-174.8-62.1-77.8000111.5D22 W140 L141 E142 R146 E147D22-H144 IonicContact OD1-CE1 3.94Å; D22-H144 IonicContact OD1-CG 3.72Å; D22-H144 IonicContact OD1-ND1 2.93Å; D22-H144 PolarHBondContact OD1-ND1 3.06Å; W140-H144 AromaticContact CD1-CD2 3.95Å; W140-H144 HydrophobicContact CD2-CB 4.43Å; W140-H144 AromaticContact CD2-CD2 3.47Å; W140-H144 VanDerWaalsContact CD2-CD2 3.47Å; W140-H144 AromaticContact CE2-CD2 3.21Å; W140-H144 AromaticContact CE2-CG 3.83Å; W140-H144 AromaticContact CE2-NE2 3.67Å; W140-H144 HydrophobicContact CE3-CB 4.07Å; W140-H144 AromaticContact CE3-CD2 3.99Å; W140-H144 AromaticContact CG-CD2 3.89Å; W140-H144 HydrophobicContact CH2-CB 3.7Å; W140-H144 AromaticContact CH2-CD2 3.97Å; W140-H144 AromaticContact CH2-CG 3.72Å; W140-H144 HydrophobicContact CZ2-CB 4.14Å; W140-H144 AromaticContact CZ2-CD2 3.5Å; W140-H144 VanDerWaalsContact CZ2-CD2 3.5Å; W140-H144 WeakPolarHBondContact CZ2-CD2 3.19Å; W140-H144 AromaticContact CZ2-CG 3.62Å; W140-H144 AromaticContact CZ2-NE2 3.94Å; W140-H144 HydrophobicContact CZ3-CB 3.69Å; W140-H144 AromaticContact NE1-CD2 3.54Å; W140-H144 AromaticContact NE1-NE2 3.59Å; W140-H144 PolarHBondContact O-CD2 2.97Å; W140-H144 PolarHBondContact O-N 2.9Å; W140-H144 VanDerWaalsContact O-N 3.13Å; L141-H144 CarbonylContact O-C 3.12Å; L141-H144 PolarHBondContact O-N 3.31Å; E142-H144 VanDerWaalsContact C-N 3.35Å; H144-R146 PolarHBondContact O-N 3.36Å; H144-E147 HydrophobicContact CB-CB 4.18Å; H144-E147 HydrophobicContact CB-CG 3.76Å; H144-E147 WeakPolarHBondContact O-CB 3.31Å; H144-E147 PolarHBondContact O-N 2.61Å
145P95.5Very high97.3Very high113 Ų11360.1 Ų60.173%0.73430%0.297SS*.THydrogen-bonded Turntrans-69.5-0.9-162.628.9-39000116.1R143R143-P145 VanDerWaalsContact C-CD 3.46Å; R143-P145 WeakPolarHBondContact O-CD 3.42Å
146R95.3Very high97.2Very high153 Ų15361.5 Ų61.558%0.57730%0.299SS*.THydrogen-bonded Turntrans-116.11.9178.3-78.8179.4-169-91.5-4.4112.3S25 H144S25-R146 WeakPolarHBondContact OG-CB 3.5Å; H144-R146 PolarHBondContact O-N 3.36Å
147E97.3Very high97Very high12 Ų1259.5 Ų59.56%0.05629%0.289CS..  trans-89.1152.5174.7-58.3-62120.600110.1D22 M24 S25 R101 W140 H144D22-E147 WeakPolarHBondContact CA-OE1 3.35Å; M24-E147 WeakPolarHBondContact CA-OE1 3.31Å; M24-E147 WeakPolarHBondContact CB-OE1 3.46Å; M24-E147 WeakPolarHBondContact CB-OE2 3.42Å; M24-E147 VanDerWaalsContact CG-OE2 3.3Å; M24-E147 WeakPolarHBondContact CG-OE2 3.31Å; M24-E147 PolarHBondContact N-OE1 3.49Å; M24-E147 PolarHBondContact N-OE2 2.8Å; S25-E147 WeakPolarHBondContact CB-OE1 3.42Å; S25-E147 PolarHBondContact N-OE1 3.14Å; S25-E147 PolarHBondContact OG-OE1 3.19Å; R101-E147 IonicContact CZ-OE2 3.72Å; R101-E147 VanDerWaalsContact CZ-OE2 3.23Å; R101-E147 IonicContact NE-OE2 2.74Å; R101-E147 PolarHBondContact NE-OE2 2.92Å; R101-E147 IonicContact NH2-OE2 3.67Å; R101-E147 PolarHBondContact NH2-OE2 3.47Å; W140-E147 HydrophobicContact CH2-CB 3.9Å; W140-E147 HydrophobicContact CH2-CG 3.82Å; W140-E147 HydrophobicContact CZ3-CB 3.79Å; W140-E147 HydrophobicContact CZ3-CG 4.19Å; H144-E147 HydrophobicContact CB-CB 4.18Å; H144-E147 HydrophobicContact CB-CG 3.76Å; H144-E147 WeakPolarHBondContact O-CB 3.31Å; H144-E147 PolarHBondContact O-N 2.61Å
148V96.8Very high96.8Very high64 Ų6461.8 Ų61.839%0.38831%0.313SS..  trans-126.2123.5176.5178.40000108.5M24 L36 R101M24-V148 HydrophobicContact CE-CB 3.94Å; M24-V148 HydrophobicContact CE-CG2 4.26Å; M24-V148 HydrophobicContact SD-CB 4.11Å; M24-V148 PolarHBondContact SD-N 2.74Å; M24-V148 VanDerWaalsContact SD-N 3.42Å; L36-V148 HydrophobicContact CD1-CG1 4.07Å; R101-V148 VanDerWaalsContact CD-O 3.3Å; R101-V148 WeakPolarHBondContact CD-O 3.47Å
149V98.3Very high96.6Very high23 Ų2362.9 Ų62.914%0.13932%0.318CS..  trans-107.1128.5176.71780000109.7L96 L103 I137 W140 L141 L151L96-V149 HydrophobicContact CD2-CG1 4.23Å; L96-V149 HydrophobicContact CD2-CG2 3.69Å; L103-V149 HydrophobicContact CD1-CG1 3.92Å; L103-V149 HydrophobicContact CG-CG1 4.16Å; I137-V149 HydrophobicContact CG2-CG1 4.28Å; W140-V149 HydrophobicContact CE3-CG2 4.44Å; W140-V149 HydrophobicContact CZ3-CG2 4.14Å; L141-V149 HydrophobicContact CD2-CB 4.33Å; L141-V149 HydrophobicContact CD2-CG2 3.82Å; L141-V149 HydrophobicContact CG-CG2 4.34Å; V149-L151 HydrophobicContact CG1-CD2 3.64Å; V149-L151 HydrophobicContact CG1-CG 4.42Å
150I98.4Very high96.5Very high58 Ų5860.5 Ų60.530%0.29731%0.313SS..EExtended strand (participates in β ladder)trans-96.7111.7176.9-57.8167.2000108I41 R101 Y102 L103I41-I150 HydrophobicContact CD1-CD1 4.04Å; R101-I150 PolarHBondContact O-N 3.04Å; Y102-I150 WeakPolarHBondContact CA-O 3.37Å; Y102-I150 HydrophobicContact CD2-CB 4.03Å; Y102-I150 HydrophobicContact CD2-CG2 3.67Å; Y102-I150 HydrophobicContact CE2-CG2 4.07Å; L103-I150 PolarHBondContact N-O 2.66Å
151L98.5Very high96.4Very high53 Ų5367.8 Ų67.828%0.27735%0.347SS..EExtended strand (participates in β ladder)trans-94.2112.2176-54.5-177.3000109.8L103 L105 L134 I137 V149 F175L103-L151 HydrophobicContact CB-CD2 4.23Å; L103-L151 HydrophobicContact CD1-CD2 3.84Å; L103-L151 HydrophobicContact CG-CD2 4.36Å; L105-L151 HydrophobicContact CD1-CB 4.32Å; L105-L151 HydrophobicContact CD1-CD2 4.17Å; L134-L151 HydrophobicContact CD2-CD1 3.79Å; I137-L151 HydrophobicContact CD1-CD2 3.95Å; I137-L151 HydrophobicContact CG2-CD2 4.37Å; V149-L151 HydrophobicContact CG1-CD2 3.64Å; V149-L151 HydrophobicContact CG1-CG 4.42Å; L151-F175 HydrophobicContact CD1-CE2 4.07Å; L151-F175 HydrophobicContact CD1-CZ 3.92Å
152A98.3Very high96.3Very high13 Ų1372.5 Ų72.511%0.10737%0.372CS..EExtended strand (participates in β ladder)trans-97.288.6175.300000110.2Y102 L103 L105Y102-A152 HydrophobicContact CE1-CB 4.2Å; Y102-A152 HydrophobicContact CE2-CB 3.97Å; Y102-A152 VanDerWaalsContact OH-CB 3.29Å; Y102-A152 WeakPolarHBondContact OH-CB 3.47Å; L103-A152 WeakPolarHBondContact O-CB 3.41Å; L103-A152 PolarHBondContact O-N 2.69Å; L105-A152 PolarHBondContact N-O 2.88Å
153C97.8Very high96.2Very high40 Ų4066.3 Ų66.327%0.2734%0.344SS..EExtended strand (participates in β ladder)trans-73.5123.3173.9-59.50000110.7L105 I107 F156L105-C153 CarbonylContact O-C 3.55Å; L105-C153 WeakPolarHBondContact O-CA 3.07Å; I107-C153 HydrophobicContact CD1-CB 3.9Å; C153-F156 HydrophobicContact CB-CE1 3.95Å; C153-F156 HydrophobicContact CB-CZ 3.79Å; C153-F156 WeakPolarHBondContact O-CZ 3.42Å
154R95.3Very high96.2Very high112 Ų11264.3 Ų64.342%0.42334%0.34SS..EExtended strand (participates in β ladder)trans-139.6174-173.7-60-172.3-169.5-80.4-6.5112.8Y102 D104 L105 R106 I107 F156Y102-R154 PolarHBondContact OH-NH2 2.98Å; D104-R154 WeakPolarHBondContact OD1-CD 3.39Å; D104-R154 IonicContact OD1-NE 3.16Å; D104-R154 PolarHBondContact OD1-NE 2.78Å; D104-R154 VanDerWaalsContact OD1-NE 3.16Å; L105-R154 PolarHBondContact O-N 3.22Å; R106-R154 HydrophobicContact CG-CB 4.49Å; I107-R154 PolarHBondContact N-O 2.68Å; R154-F156 PolarHBondContact O-N 3.28Å
155N92.9Very high96.2Very high95 Ų9569.6 Ų69.651%0.50837%0.365SS..EExtended strand (participates in β ladder)trans66.4-56.6176.4-71.161000114.5R106 E157R106-N155 HydrophobicContact CB-CB 4.37Å; R106-N155 WeakPolarHBondContact CD-OD1 3.44Å; N155-E157 PolarHBondContact O-N 3.37Å
156F95.6Very high96.3Very high78 Ų7866.4 Ų66.434%0.34234%0.338SS..EExtended strand (participates in β ladder)trans51.944.5-179-50.8-68.9000112.1I107 C153 R154 G158 L159 L167I107-F156 HydrophobicContact CB-CD1 4.38Å; I107-F156 HydrophobicContact CD1-CE1 4.3Å; I107-F156 CarbonylContact O-C 3.45Å; I107-F156 WeakPolarHBondContact O-CA 3.41Å; I107-F156 PolarHBondContact O-N 2.93Å; C153-F156 HydrophobicContact CB-CE1 3.95Å; C153-F156 HydrophobicContact CB-CZ 3.79Å; C153-F156 WeakPolarHBondContact O-CZ 3.42Å; R154-F156 PolarHBondContact O-N 3.28Å; F156-G158 PolarHBondContact O-N 3.07Å; F156-L159 HydrophobicContact CB-CB 4.33Å; F156-L159 HydrophobicContact CB-CD2 4.06Å; F156-L159 HydrophobicContact CD1-CD2 3.76Å; F156-L159 HydrophobicContact CG-CD2 4.38Å; F156-L159 PolarHBondContact O-N 2.87Å; F156-L167 HydrophobicContact CD1-CD2 4.23Å; F156-L167 HydrophobicContact CE1-CD2 3.91Å
157E94.8Very high96.4Very high17 Ų1759.3 Ų59.38%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-63.1123-177.6171.8-177.2152.400110.5S59 E61 I107 A108 H109 V121 Y125 N155 L159S59-E157 PolarHBondContact OG-OE1 2.93Å; S59-E157 PolarHBondContact OG-OE2 3.1Å; E61-E157 HydrophobicContact CG-CG 3.75Å; I107-E157 PolarHBondContact O-N 3.36Å; A108-E157 CarbonylContact C-O 3.51Å; A108-E157 VanDerWaalsContact CA-O 3.25Å; A108-E157 WeakPolarHBondContact CA-O 3.3Å; A108-E157 HydrophobicContact CB-CB 3.73Å; A108-E157 HydrophobicContact CB-CG 4.27Å; H109-E157 PolarHBondContact N-O 3.32Å; V121-E157 HydrophobicContact CG1-CB 4.5Å; Y125-E157 PolarHBondContact OH-OE1 2.84Å; N155-E157 PolarHBondContact O-N 3.37Å; E157-L159 VanDerWaalsContact O-CD1 3.31Å; E157-L159 WeakPolarHBondContact O-CD1 3.41Å; E157-L159 PolarHBondContact O-N 3.34Å
158G92.9Very high96.4Very high49 Ų4961.3 Ų61.351%0.50533%0.325SS..THydrogen-bonded Turntrans66.414.617700000115.5H109 F156 S160H109-G158 WeakPolarHBondContact CB-O 3.36Å; F156-G158 PolarHBondContact O-N 3.07Å; G158-S160 PolarHBondContact O-N 3.39Å
159L94.8Very high96.5Very high32 Ų3260.1 Ų60.117%0.16832%0.322CS..  trans-78114.5175.8-89.465.6000110.3I107 H109 L118 F156 E157 L163 L167I107-L159 HydrophobicContact CG2-CD1 4.15Å; I107-L159 HydrophobicContact CG2-CD2 4.13Å; H109-L159 HydrophobicContact CB-CD1 4.17Å; L118-L159 HydrophobicContact CD2-CD1 3.93Å; L118-L159 HydrophobicContact CD2-CG 4.08Å; F156-L159 HydrophobicContact CB-CB 4.33Å; F156-L159 HydrophobicContact CB-CD2 4.06Å; F156-L159 HydrophobicContact CD1-CD2 3.76Å; F156-L159 HydrophobicContact CG-CD2 4.38Å; F156-L159 PolarHBondContact O-N 2.87Å; E157-L159 VanDerWaalsContact O-CD1 3.31Å; E157-L159 WeakPolarHBondContact O-CD1 3.41Å; E157-L159 PolarHBondContact O-N 3.34Å; L159-L163 HydrophobicContact CG-CB 4.34Å; L159-L167 HydrophobicContact CD2-CD2 4.13Å
160S95.1Very high96.4Very high58 Ų5859.3 Ų59.341%0.40632%0.317SS..  trans-70170.3164.665.20000111.1G158 D162 L163 H164G158-S160 PolarHBondContact O-N 3.39Å; S160-D162 PolarHBondContact O-N 2.8Å; S160-L163 PolarHBondContact O-N 2.81Å; S160-L163 WeakPolarHBondContact OG-CG 3.26Å; S160-L163 PolarHBondContact OG-N 3.06Å; S160-H164 WeakPolarHBondContact O-CB 3.3Å; S160-H164 PolarHBondContact O-N 2.99Å
161E96.3Very high96.4Very high153 Ų15359.4 Ų59.472%0.71532%0.317SS*.Hα-helixtrans-56.5-48.8174-170.9167.9-162.300111.5L163 H164 E165E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.34Å; E161-H164 PolarHBondContact O-N 2.9Å; E161-H164 VanDerWaalsContact O-N 3.11Å; E161-E165 WeakPolarHBondContact O-CG 3.46Å; E161-E165 PolarHBondContact O-N 3.13Å
162D96.4Very high96.3Very high122 Ų12263.5 Ų63.565%0.65233%0.333SS*.Hα-helixtrans-58.3-38.8177.3-59.9-27.3000113S160 Y166S160-D162 PolarHBondContact O-N 2.8Å; D162-Y166 WeakPolarHBondContact O-CB 3.32Å; D162-Y166 PolarHBondContact O-N 3.34Å
163L96.7Very high96.3Very high9 Ų969.1 Ų69.15%0.04736%0.361CS..Hα-helixtrans-72.2-36.7177.9-78173.1000112.1H109 E115 K116 L118 L159 S160 E161 Y166 L167H109-L163 HydrophobicContact CB-CD1 3.87Å; H109-L163 VanDerWaalsContact CG-CD1 3.43Å; H109-L163 WeakPolarHBondContact ND1-CD1 3.39Å; E115-L163 WeakPolarHBondContact O-CD2 3.06Å; K116-L163 HydrophobicContact CG-CD2 4.49Å; L118-L163 HydrophobicContact CD2-CB 4.47Å; L118-L163 HydrophobicContact CD2-CD2 4.13Å; L159-L163 HydrophobicContact CG-CB 4.34Å; S160-L163 PolarHBondContact O-N 2.81Å; S160-L163 WeakPolarHBondContact OG-CG 3.26Å; S160-L163 PolarHBondContact OG-N 3.06Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.34Å; L163-Y166 PolarHBondContact O-N 3.13Å; L163-L167 PolarHBondContact O-N 2.99Å
164H97Very high96.3Very high89 Ų8968.7 Ų68.741%0.41236%0.356SS..Hα-helixtrans-67.5-41.6174.3-177.6-98.1000111.1S160 E161 Y166 L167 V168S160-H164 WeakPolarHBondContact O-CB 3.3Å; S160-H164 PolarHBondContact O-N 2.99Å; E161-H164 PolarHBondContact O-N 2.9Å; E161-H164 VanDerWaalsContact O-N 3.11Å; H164-Y166 VanDerWaalsContact C-N 3.32Å; H164-Y166 PolarHBondContact O-N 3.25Å; H164-L167 WeakPolarHBondContact O-CB 3.45Å; H164-L167 PolarHBondContact O-N 3.16Å; H164-V168 WeakPolarHBondContact O-CG2 3.43Å; H164-V168 PolarHBondContact O-N 2.93Å
165E97.3Very high96.3Very high118 Ų11865.2 Ų65.255%0.55134%0.344SS*.Hα-helixtrans-61.2-41.9171.9-72.3-171.5169.700111.8E161 V168 A169E161-E165 WeakPolarHBondContact O-CG 3.46Å; E161-E165 PolarHBondContact O-N 3.13Å; E165-V168 PolarHBondContact O-N 3.29Å; E165-A169 WeakPolarHBondContact O-CB 3.5Å; E165-A169 PolarHBondContact O-N 3.19Å
166Y97.1Very high96.3Very high46 Ų4663.2 Ų63.218%0.1835%0.346CS..Hα-helixtrans-59.8-46.6173.4171.7-114000112K116 L118 E131 D162 L163 H164 V168 A169 C170K116-Y166 HydrophobicContact CB-CD1 3.99Å; K116-Y166 HydrophobicContact CB-CE1 3.63Å; K116-Y166 HydrophobicContact CD-CD1 4.12Å; K116-Y166 HydrophobicContact CD-CD2 3.69Å; K116-Y166 HydrophobicContact CD-CE1 4.08Å; K116-Y166 HydrophobicContact CD-CE2 3.64Å; K116-Y166 HydrophobicContact CD-CG 3.9Å; K116-Y166 HydrophobicContact CG-CD1 4.1Å; K116-Y166 HydrophobicContact CG-CE1 4.15Å; K116-Y166 HydrophobicContact CG-CG 4.25Å; L118-Y166 HydrophobicContact CD1-CD1 3.95Å; L118-Y166 HydrophobicContact CD1-CE1 4.29Å; L118-Y166 HydrophobicContact CG-CD1 4.45Å; E131-Y166 PolarHBondContact OE2-OH 3.16Å; D162-Y166 WeakPolarHBondContact O-CB 3.32Å; D162-Y166 PolarHBondContact O-N 3.34Å; L163-Y166 PolarHBondContact O-N 3.13Å; H164-Y166 VanDerWaalsContact C-N 3.32Å; H164-Y166 PolarHBondContact O-N 3.25Å; Y166-V168 VanDerWaalsContact C-N 3.33Å; Y166-V168 PolarHBondContact O-N 3.39Å; Y166-A169 WeakPolarHBondContact O-CB 3.49Å; Y166-A169 PolarHBondContact O-N 3.38Å; Y166-A169 VanDerWaalsContact O-N 3.12Å; Y166-C170 WeakPolarHBondContact CE2-SG 3.33Å; Y166-C170 PolarHBondContact O-N 2.74Å; Y166-C170 PolarHBondContact O-SG 3.08Å; Y166-C170 VanDerWaalsContact O-SG 3.37Å
167L97.8Very high95.9Very high5 Ų567.6 Ų67.63%0.02637%0.373CS..Hα-helixtrans-57.5-45.6175.7175.262.4000111.8I107 L118 V130 F156 L159 L163 H164 A169 C170 I171I107-L167 HydrophobicContact CD1-CD1 4.06Å; I107-L167 HydrophobicContact CD1-CD2 3.68Å; I107-L167 HydrophobicContact CG2-CD2 4.35Å; L118-L167 HydrophobicContact CD1-CB 3.91Å; L118-L167 HydrophobicContact CD1-CD1 4.35Å; V130-L167 HydrophobicContact CG1-CD1 3.7Å; F156-L167 HydrophobicContact CD1-CD2 4.23Å; F156-L167 HydrophobicContact CE1-CD2 3.91Å; L159-L167 HydrophobicContact CD2-CD2 4.13Å; L163-L167 PolarHBondContact O-N 2.99Å; H164-L167 WeakPolarHBondContact O-CB 3.45Å; H164-L167 PolarHBondContact O-N 3.16Å; L167-A169 VanDerWaalsContact C-N 3.3Å; L167-A169 PolarHBondContact O-N 3.32Å; L167-C170 PolarHBondContact O-N 3.35Å; L167-I171 HydrophobicContact CD1-CD1 4.13Å; L167-I171 HydrophobicContact CD1-CG1 4.43Å; L167-I171 HydrophobicContact CG-CD1 4.07Å; L167-I171 WeakPolarHBondContact O-CG1 3.43Å; L167-I171 PolarHBondContact O-N 3.09Å
168V97.3Very high95.2Very high53 Ų5373.4 Ų73.432%0.32140%0.401SS..Hα-helixtrans-62-40.2176.8171.70000111.1H164 E165 Y166 I171 K172H164-V168 WeakPolarHBondContact O-CG2 3.43Å; H164-V168 PolarHBondContact O-N 2.93Å; E165-V168 PolarHBondContact O-N 3.29Å; Y166-V168 VanDerWaalsContact C-N 3.33Å; Y166-V168 PolarHBondContact O-N 3.39Å; V168-I171 PolarHBondContact O-N 3.47Å; V168-K172 HydrophobicContact CG1-CD 4.15Å; V168-K172 WeakPolarHBondContact O-CG 3.42Å; V168-K172 PolarHBondContact O-N 2.93Å
169A97.3Very high95.4Very high40 Ų4074.6 Ų74.633%0.33140%0.396SS..Hα-helixtrans-64.3-44.217600000111.7E165 Y166 L167 I171 K172 N173E165-A169 WeakPolarHBondContact O-CB 3.5Å; E165-A169 PolarHBondContact O-N 3.19Å; Y166-A169 WeakPolarHBondContact O-CB 3.49Å; Y166-A169 PolarHBondContact O-N 3.38Å; Y166-A169 VanDerWaalsContact O-N 3.12Å; L167-A169 VanDerWaalsContact C-N 3.3Å; L167-A169 PolarHBondContact O-N 3.32Å; A169-I171 PolarHBondContact O-N 2.86Å; A169-K172 PolarHBondContact O-N 2.92Å; A169-N173 VanDerWaalsContact O-CB 3.31Å; A169-N173 WeakPolarHBondContact O-CB 3.46Å; A169-N173 PolarHBondContact O-N 2.84Å; A169-N173 PolarHBondContact O-ND2 2.75Å; A169-N173 PolarHBondContact O-OD1 2.98Å
170C96.9Very high95.4Very high6 Ų676.8 Ų76.84%0.04141%0.408CS..Hα-helixtrans-56.2-50.6173.8-680000111.1Y166 L167 K172 N173 I174Y166-C170 WeakPolarHBondContact CE2-SG 3.33Å; Y166-C170 PolarHBondContact O-N 2.74Å; Y166-C170 PolarHBondContact O-SG 3.08Å; Y166-C170 VanDerWaalsContact O-SG 3.37Å; L167-C170 PolarHBondContact O-N 3.35Å; C170-K172 VanDerWaalsContact C-N 3.34Å; C170-K172 PolarHBondContact O-N 2.9Å; C170-N173 PolarHBondContact O-N 3.1Å; C170-I174 WeakPolarHBondContact O-CB 3.29Å; C170-I174 VanDerWaalsContact O-CG1 3.24Å; C170-I174 WeakPolarHBondContact O-CG1 3.45Å; C170-I174 PolarHBondContact O-N 2.95Å
171I97.4Very high95.4Very high59 Ų5977.9 Ų77.930%0.30341%0.408SS..Hα-helixtrans-58.3-46.5179.4-68.5165.8000111L134 L167 V168 A169 F175L134-I171 HydrophobicContact CD1-CG1 3.73Å; L167-I171 HydrophobicContact CD1-CD1 4.13Å; L167-I171 HydrophobicContact CD1-CG1 4.43Å; L167-I171 HydrophobicContact CG-CD1 4.07Å; L167-I171 WeakPolarHBondContact O-CG1 3.43Å; L167-I171 PolarHBondContact O-N 3.09Å; V168-I171 PolarHBondContact O-N 3.47Å; A169-I171 PolarHBondContact O-N 2.86Å; I171-F175 HydrophobicContact CG2-CD2 4.16Å; I171-F175 WeakPolarHBondContact O-CD2 3.32Å; I171-F175 PolarHBondContact O-N 3.46Å
172K97.6Very high95.3Very high140 Ų14073.5 Ų73.561%0.60939%0.39SS*.Hα-helixtrans-66.1-39.4179.1-74.4178.3178178.70112.7V168 A169 C170 G176V168-K172 HydrophobicContact CG1-CD 4.15Å; V168-K172 WeakPolarHBondContact O-CG 3.42Å; V168-K172 PolarHBondContact O-N 2.93Å; A169-K172 PolarHBondContact O-N 2.92Å; C170-K172 VanDerWaalsContact C-N 3.34Å; C170-K172 PolarHBondContact O-N 2.9Å; K172-G176 WeakPolarHBondContact O-CA 3.43Å; K172-G176 PolarHBondContact O-N 3.05Å
173N97.3Very high95.3Very high131 Ų13170.4 Ų70.470%0.70137%0.374SS*.Hα-helixtrans-70.9-35.7-179.2-69.3-14000111.8A169 C170A169-N173 VanDerWaalsContact O-CB 3.31Å; A169-N173 WeakPolarHBondContact O-CB 3.46Å; A169-N173 PolarHBondContact O-N 2.84Å; A169-N173 PolarHBondContact O-ND2 2.75Å; A169-N173 PolarHBondContact O-OD1 2.98Å; C170-N173 PolarHBondContact O-N 3.1Å
174I97.6Very high95.2Very high30 Ų3074.5 Ų74.515%0.15440%0.396CS..Hα-helixtrans-78-49.3-178.5-67.2167.2000110.8E131 L134 S138 C170E131-I174 HydrophobicContact CG-CD1 4.21Å; L134-I174 HydrophobicContact CB-CD1 3.7Å; S138-I174 VanDerWaalsContact CB-CG2 3.49Å; C170-I174 WeakPolarHBondContact O-CB 3.29Å; C170-I174 VanDerWaalsContact O-CG1 3.24Å; C170-I174 WeakPolarHBondContact O-CG1 3.45Å; C170-I174 PolarHBondContact O-N 2.95Å
175F97Very high95.1Very high40 Ų4073.5 Ų73.518%0.17540%0.395CS..Hα-helixtrans-102.5-5.3-171.8-58.7-77000114.5L134 I137 L141 L151 I171 D177 M178L134-F175 HydrophobicContact CB-CE2 3.97Å; L134-F175 HydrophobicContact CB-CZ 4.19Å; L134-F175 HydrophobicContact CD2-CE2 3.98Å; L134-F175 HydrophobicContact CD2-CZ 4.25Å; L134-F175 HydrophobicContact CG-CE2 4.36Å; L134-F175 VanDerWaalsContact O-CZ 3.31Å; L134-F175 WeakPolarHBondContact O-CZ 3.5Å; I137-F175 HydrophobicContact CG2-CE1 4.4Å; I137-F175 HydrophobicContact CG2-CZ 4.42Å; L141-F175 HydrophobicContact CD1-CE1 4.21Å; L151-F175 HydrophobicContact CD1-CE2 4.07Å; L151-F175 HydrophobicContact CD1-CZ 3.92Å; I171-F175 HydrophobicContact CG2-CD2 4.16Å; I171-F175 WeakPolarHBondContact O-CD2 3.32Å; I171-F175 PolarHBondContact O-N 3.46Å; F175-D177 VanDerWaalsContact C-N 3.33Å; F175-D177 PolarHBondContact O-N 2.93Å; F175-M178 HydrophobicContact CB-SD 4.47Å; F175-M178 HydrophobicContact CD1-SD 3.62Å; F175-M178 HydrophobicContact CE1-SD 4.41Å; F175-M178 WeakPolarHBondContact O-CB 3.29Å; F175-M178 PolarHBondContact O-N 2.93Å
176G92.8Very high94.9Very high53 Ų5370.1 Ų70.155%0.54638%0.383SS..THydrogen-bonded Turntrans-69.6-25.4-167.200000115.6K172K172-G176 WeakPolarHBondContact O-CA 3.43Å; K172-G176 PolarHBondContact O-N 3.05Å
177D86.8Confident94.7Very high169 Ų16972.1 Ų72.190%0.90440%0.4SS*.THydrogen-bonded Turntrans-100.13.9-179.7-66.7-33000113F175F175-D177 VanDerWaalsContact C-N 3.33Å; F175-D177 PolarHBondContact O-N 2.93Å
178M80.6Confident94.4Very high139 Ų13978.2 Ų78.269%0.68543%0.433SS*.  trans-74.70178.2-66.2-167.870.900113.6S138 L141 F175S138-M178 PolarHBondContact OG-SD 3.24Å; L141-M178 HydrophobicContact CB-CE 3.41Å; L141-M178 VanDerWaalsContact CB-CE 3.41Å; L141-M178 HydrophobicContact CD1-CE 4.14Å; L141-M178 HydrophobicContact CD1-SD 4.49Å; L141-M178 HydrophobicContact CG-CE 4.4Å; F175-M178 HydrophobicContact CB-SD 4.47Å; F175-M178 HydrophobicContact CD1-SD 3.62Å; F175-M178 HydrophobicContact CE1-SD 4.41Å; F175-M178 WeakPolarHBondContact O-CB 3.29Å; F175-M178 PolarHBondContact O-N 2.93Å

Retrieved 178 of 178 residues in 40.5 ms (Link to these results)

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