A0A077S9Z4_MOUSE Loading...

Lysozyme d1

AlphaFold DB (Q9CPX3), UniProt , Accession A0A077S9Z4, Species MOUSE (Mus musculus, Mouse), Gene Lyzl1, Length 148 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
1M45.2Very low61.6Low239 Ų239149.2 Ų149.2100%1.17783%0.83SS**  0122.40-69.8157.167.100107.6
2K44.9Very low62.3Low211 Ų211144.3 Ų144.392%0.91781%0.814SS**  trans-88.1108.8-178.9-66.1-178.6174.6-1780108.2
3S59.7Low62.6Low123 Ų123147.3 Ų147.386%0.8681%0.813SS**  trans-92.9111.7168.9-81.50000109.3G5S3-G5 PolarHBondContact O-N 2.91Å
4V59.1Low62.5Low129 Ų129143.6 Ų143.678%0.78280%0.803SS**  trans-67.1114171.5175.20000107.6V6V4-V6 PolarHBondContact O-N 3.11Å
5G62.8Low62.6Low61 Ų61144.1 Ų144.163%0.62980%0.801SS**  trans-71.6114175.800000110.3S3 F7S3-G5 PolarHBondContact O-N 2.91Å; G5-F7 PolarHBondContact O-N 3.29Å
6V65Low62.6Low134 Ų134143.1 Ų143.181%0.81280%0.799SS**  trans-74.5109.2173.6178.60000108.1V4 A8V4-V6 PolarHBondContact O-N 3.11Å; V6-A8 PolarHBondContact O-N 2.84Å; V6-A8 VanDerWaalsContact O-N 3.07Å
7F63Low62.7Low199 Ų199138.1 Ų138.187%0.87378%0.78SS**  trans-71.896.7170.1-82-85.7000109G5 L9G5-F7 PolarHBondContact O-N 3.29Å; F7-L9 PolarHBondContact O-N 3.38Å; F7-L9 VanDerWaalsContact O-N 3.14Å
8A69.1Low63.1Low84 Ų84139.3 Ų139.369%0.69478%0.779SS**  trans-69.3105.5168.500000108.8V6 I10V6-A8 PolarHBondContact O-N 2.84Å; V6-A8 VanDerWaalsContact O-N 3.07Å; A8-I10 PolarHBondContact O-N 3.37Å
9L65.9Low63.7Low163 Ų163135.8 Ų135.885%0.85376%0.764SS**  trans-67.299.6169.1-84.7156.8000108.4F7 I11F7-L9 PolarHBondContact O-N 3.38Å; F7-L9 VanDerWaalsContact O-N 3.14Å; L9-I11 PolarHBondContact O-N 3.26Å; L9-I11 VanDerWaalsContact O-N 3.08Å
10I72.6Confident64.9Low154 Ų154131.8 Ų131.879%0.7974%0.738SS**  trans-71.6100.9169.6-59.1177.2000106.8A8 S12A8-I10 PolarHBondContact O-N 3.37Å; I10-S12 PolarHBondContact O-N 3.39Å
11I70.6Confident66.4Low144 Ų144131.2 Ų131.274%0.73873%0.732SS**  trans-71.996.8169.9-59.4173.6000106.7L9 F13L9-I11 PolarHBondContact O-N 3.26Å; L9-I11 VanDerWaalsContact O-N 3.08Å; I11-F13 PolarHBondContact O-N 3.02Å; I11-F13 VanDerWaalsContact O-N 3.12Å
12S69.9Low68.9Low91 Ų91120.6 Ų120.664%0.63668%0.679SS**  trans-69.5104.6169.2530000108.6I10 S14I10-S12 PolarHBondContact O-N 3.39Å; S12-S14 VanDerWaalsContact C-N 3.32Å; S12-S14 PolarHBondContact O-N 2.05Å
13F66.4Low71.4Confident183 Ų183115 Ų11580%0.80366%0.663SS**  trans-71.790171.4-134.3-95.2000108I11 I15I11-F13 PolarHBondContact O-N 3.02Å; I11-F13 VanDerWaalsContact O-N 3.12Å; F13-I15 PolarHBondContact O-N 3.17Å; F13-I15 VanDerWaalsContact O-N 3.08Å
14S60.5Low73.2Confident96 Ų96113.1 Ų113.167%0.67164%0.637SS**  trans-72.998.2170-61.40000107.5S12 V16S12-S14 VanDerWaalsContact C-N 3.32Å; S12-S14 PolarHBondContact O-N 2.05Å; S14-V16 VanDerWaalsContact C-N 3.31Å; S14-V16 PolarHBondContact O-N 3.5Å
15I63.7Low75.1Confident151 Ų151108.8 Ų108.877%0.77461%0.612SS**  trans-63.6101.4164.9-58.4175.1000105.4F13 A17F13-I15 PolarHBondContact O-N 3.17Å; F13-I15 VanDerWaalsContact O-N 3.08Å; I15-A17 PolarHBondContact O-N 3.38Å; I15-A17 VanDerWaalsContact O-N 3.11Å
16V62.8Low76.7Confident128 Ų128110.8 Ų110.878%0.77660%0.603SS**  trans-66.2110.6168.31780000105.5S14 E18S14-V16 VanDerWaalsContact C-N 3.31Å; S14-V16 PolarHBondContact O-N 3.5Å; V16-E18 PolarHBondContact O-N 3.2Å; V16-E18 VanDerWaalsContact O-N 3.09Å
17A64.8Low78.2Confident58 Ų58104.4 Ų104.448%0.47956%0.564SS.*  trans-65108.7168.100000107I15I15-A17 PolarHBondContact O-N 3.38Å; I15-A17 VanDerWaalsContact O-N 3.11Å
18E70.6Confident79.9Confident160 Ų16094.9 Ų94.975%0.74852%0.523SS*.  trans-68.2135.5173.9-167.4174.117600108.8V16V16-E18 PolarHBondContact O-N 3.2Å; V16-E18 VanDerWaalsContact O-N 3.09Å
19S73.3Confident81.3Confident72 Ų7295.5 Ų95.550%0.50351%0.51SS..  trans-78.6138.9176.862.50000110.9T60S19-T60 WeakPolarHBondContact CB-OG1 2.97Å
20K88.9Confident82.8Confident56 Ų5690 Ų9024%0.24348%0.481CS..  trans-133.3127.1-179.5-172.1169.1-175.81770111.8Y22 T59 D104K20-Y22 HydrophobicContact CB-CE2 4.46Å; K20-Y22 HydrophobicContact CD-CD2 4.41Å; K20-Y22 HydrophobicContact CD-CE1 4.39Å; K20-Y22 HydrophobicContact CD-CE2 3.82Å; K20-Y22 HydrophobicContact CG-CD2 4.19Å; K20-Y22 HydrophobicContact CG-CE2 4.07Å; K20-Y22 PolarHBondContact NZ-OH 3.25Å; K20-T59 PolarHBondContact N-OG1 3.24Å; K20-T59 VanDerWaalsContact N-OG1 3.17Å; K20-T59 PolarHBondContact O-N 3.24Å; K20-T59 PolarHBondContact O-OG1 3.3Å; K20-D104 WeakPolarHBondContact CB-OD1 3.38Å; K20-D104 VanDerWaalsContact CD-CG 3.46Å; K20-D104 VanDerWaalsContact CD-OD1 3.24Å; K20-D104 WeakPolarHBondContact CD-OD1 3.02Å; K20-D104 WeakPolarHBondContact CD-OD2 3.07Å; K20-D104 IonicContact NZ-OD2 2.81Å; K20-D104 PolarHBondContact NZ-OD2 3.44Å
21I95.9Very high84.1Confident120 Ų12082.7 Ų82.762%0.61544%0.443SS*.BIsolated β-bridgetrans-94.5110.5169-58.9176.4000107Y57 N58I21-Y57 WeakPolarHBondContact CA-O 3.48Å; I21-N58 HydrophobicContact CG1-CB 4.13Å
22Y97.1Very high85.4Confident16 Ų1677.4 Ų77.46%0.06342%0.421CS..  trans-74.5136.7177.2-83.2-90.7000110.9K20 K26 L27 I30 Y57 T59 D104 L106K20-Y22 HydrophobicContact CB-CE2 4.46Å; K20-Y22 HydrophobicContact CD-CD2 4.41Å; K20-Y22 HydrophobicContact CD-CE1 4.39Å; K20-Y22 HydrophobicContact CD-CE2 3.82Å; K20-Y22 HydrophobicContact CG-CD2 4.19Å; K20-Y22 HydrophobicContact CG-CE2 4.07Å; K20-Y22 PolarHBondContact NZ-OH 3.25Å; Y22-K26 HydrophobicContact CD1-CB 4.23Å; Y22-K26 HydrophobicContact CD1-CD 3.69Å; Y22-K26 HydrophobicContact CD1-CG 3.77Å; Y22-K26 HydrophobicContact CE1-CD 3.82Å; Y22-K26 HydrophobicContact CE1-CG 4.02Å; Y22-L27 HydrophobicContact CG-CD1 4.16Å; Y22-I30 HydrophobicContact CD1-CD1 3.88Å; Y22-I30 HydrophobicContact CE1-CD1 3.3Å; Y22-Y57 PolarHBondContact N-O 3.24Å; Y22-Y57 WeakPolarHBondContact O-CB 3.22Å; Y22-Y57 VanDerWaalsContact O-CD2 3.24Å; Y22-Y57 WeakPolarHBondContact O-CD2 3.01Å; Y22-T59 HydrophobicContact CD2-CG2 3.62Å; Y22-T59 HydrophobicContact CE2-CG2 3.45Å; Y22-T59 VanDerWaalsContact CE2-CG2 3.45Å; Y22-D104 PolarHBondContact OH-O 2.79Å; Y22-L106 HydrophobicContact CE2-CD1 4.19Å; Y22-L106 HydrophobicContact CE2-CG 4.46Å
23T97.3Very high86.7Confident93 Ų9382.5 Ų82.557%0.57143%0.431SS*.  trans-67.7147.8163.8650000110C25 K26 L27T23-C25 VanDerWaalsContact C-N 3.34Å; T23-C25 PolarHBondContact O-N 2.99Å; T23-K26 PolarHBondContact O-N 3.36Å; T23-K26 VanDerWaalsContact O-N 3.17Å; T23-K26 WeakPolarHBondContact OG1-CB 3.06Å; T23-K26 PolarHBondContact OG1-N 2.74Å; T23-L27 PolarHBondContact O-N 3.05Å
24R97.8Very high88.2Confident84 Ų8475.5 Ų75.532%0.31741%0.407SS..Hα-helixtrans-44.4-52177.1-175.2179.465.8108.6-1113.7L27 A28 Y57 E140 W141 R143R24-L27 PolarHBondContact O-N 3.27Å; R24-A28 WeakPolarHBondContact O-CB 3.39Å; R24-A28 PolarHBondContact O-N 3.05Å; R24-Y57 HydrophobicContact CB-CE2 4.01Å; R24-Y57 HydrophobicContact CG-CE2 4.5Å; R24-E140 PolarHBondContact NH1-O 2.67Å; R24-W141 WeakPolarHBondContact CD-O 3.21Å; R24-W141 PolarHBondContact NH1-O 3.04Å; R24-R143 PolarHBondContact NH1-O 3.38Å; R24-R143 PolarHBondContact NH2-O 2.96Å
25C98.2Very high90Very high38 Ų3872.7 Ų72.726%0.25739%0.394SS..Hα-helixtrans-74.3-33.1-174.9-64.20000114.2T23 L27 A28 K29 C145T23-C25 VanDerWaalsContact C-N 3.34Å; T23-C25 PolarHBondContact O-N 2.99Å; C25-L27 VanDerWaalsContact C-N 3.3Å; C25-L27 PolarHBondContact O-N 2.77Å; C25-A28 PolarHBondContact O-N 2.63Å; C25-K29 WeakPolarHBondContact O-CG 3.41Å; C25-K29 PolarHBondContact O-N 2.9Å; C25-K29 VanDerWaalsContact O-N 3.13Å; C25-C145 WeakPolarHBondContact CA-SG 3.36Å; C25-C145 HydrophobicContact CB-CB 3.49Å; C25-C145 VanDerWaalsContact CB-CB 3.49Å; C25-C145 WeakPolarHBondContact CB-SG 3.23Å; C25-C145 WeakPolarHBondContact SG-CA 3.06Å; C25-C145 WeakPolarHBondContact SG-CB 3.27Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 2.73Å
26K97.1Very high91.7Very high102 Ų10265.5 Ų65.544%0.44336%0.357SS..Hα-helixtrans-61.6-43.1170.5-171.1175-176.4173.50110.6Y22 T23 K29 I30Y22-K26 HydrophobicContact CD1-CB 4.23Å; Y22-K26 HydrophobicContact CD1-CD 3.69Å; Y22-K26 HydrophobicContact CD1-CG 3.77Å; Y22-K26 HydrophobicContact CE1-CD 3.82Å; Y22-K26 HydrophobicContact CE1-CG 4.02Å; T23-K26 PolarHBondContact O-N 3.36Å; T23-K26 VanDerWaalsContact O-N 3.17Å; T23-K26 WeakPolarHBondContact OG1-CB 3.06Å; T23-K26 PolarHBondContact OG1-N 2.74Å; K26-K29 PolarHBondContact O-N 3.48Å; K26-I30 HydrophobicContact CG-CD1 4.37Å; K26-I30 WeakPolarHBondContact O-CG1 3.32Å; K26-I30 PolarHBondContact O-N 2.83Å
27L97.8Very high93.3Very high0 Ų061.6 Ų61.60%033%0.332CS..Hα-helixtrans-67.2-39.7177.7-162.964000112Y22 T23 R24 C25 K29 I30 F31 L48 A51 Y57 I74 L106Y22-L27 HydrophobicContact CG-CD1 4.16Å; T23-L27 PolarHBondContact O-N 3.05Å; R24-L27 PolarHBondContact O-N 3.27Å; C25-L27 VanDerWaalsContact C-N 3.3Å; C25-L27 PolarHBondContact O-N 2.77Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.44Å; L27-I30 PolarHBondContact O-N 3.48Å; L27-I30 VanDerWaalsContact O-N 3.15Å; L27-F31 HydrophobicContact CD1-CD1 4Å; L27-F31 HydrophobicContact CD1-CE1 3.42Å; L27-F31 VanDerWaalsContact CD1-CE1 3.42Å; L27-F31 HydrophobicContact CD1-CE2 4.27Å; L27-F31 HydrophobicContact CD1-CZ 3.57Å; L27-F31 HydrophobicContact CD2-CD2 4.47Å; L27-F31 HydrophobicContact CD2-CE1 4.31Å; L27-F31 HydrophobicContact CD2-CE2 3.69Å; L27-F31 HydrophobicContact CD2-CZ 3.6Å; L27-F31 HydrophobicContact CG-CD1 4.12Å; L27-F31 HydrophobicContact CG-CD2 4.07Å; L27-F31 HydrophobicContact CG-CE1 3.74Å; L27-F31 HydrophobicContact CG-CE2 3.68Å; L27-F31 HydrophobicContact CG-CG 4.28Å; L27-F31 HydrophobicContact CG-CZ 3.5Å; L27-F31 WeakPolarHBondContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CG 3.34Å; L27-F31 PolarHBondContact O-N 3.19Å; L27-L48 HydrophobicContact CB-CD2 4.02Å; L27-L48 HydrophobicContact CD2-CD2 4.14Å; L27-L48 HydrophobicContact CG-CD2 4.11Å; L27-A51 HydrophobicContact CD2-CB 4.11Å; L27-Y57 HydrophobicContact CD2-CD1 3.24Å; L27-Y57 HydrophobicContact CD2-CE1 3.44Å; L27-Y57 VanDerWaalsContact CD2-CE1 3.44Å; L27-Y57 HydrophobicContact CD2-CG 3.88Å; L27-I74 HydrophobicContact CD1-CD1 3.72Å; L27-I74 HydrophobicContact CD2-CD1 3.8Å; L27-I74 HydrophobicContact CG-CD1 4.44Å; L27-L106 HydrophobicContact CD1-CD1 3.6Å
28A98.5Very high94.9Very high0 Ų064.4 Ų64.40%034%0.339CS..Hα-helixtrans-56.7-46.117600000111.6R24 C25 I30 F31 A32 L44 L48 C145 V147R24-A28 WeakPolarHBondContact O-CB 3.39Å; R24-A28 PolarHBondContact O-N 3.05Å; C25-A28 PolarHBondContact O-N 2.63Å; A28-I30 PolarHBondContact O-N 3.15Å; A28-F31 PolarHBondContact O-N 3.38Å; A28-A32 VanDerWaalsContact O-CB 3.25Å; A28-A32 WeakPolarHBondContact O-CB 3.22Å; A28-A32 PolarHBondContact O-N 3.44Å; A28-L44 HydrophobicContact CB-CD2 4.44Å; A28-L48 HydrophobicContact CB-CD1 3.74Å; A28-L48 HydrophobicContact CB-CD2 4.13Å; A28-C145 HydrophobicContact CB-CB 4.04Å; A28-V147 HydrophobicContact CB-CG1 4.19Å; A28-V147 HydrophobicContact CB-CG2 4.32Å
29K98.2Very high96.2Very high97 Ų9760.1 Ų60.142%0.42232%0.316SS..Hα-helixtrans-63.1-40.6177.2-69.3-179.3-178.8-172.70111.8C25 K26 L27 K33 C145 E146 V147C25-K29 WeakPolarHBondContact O-CG 3.41Å; C25-K29 PolarHBondContact O-N 2.9Å; C25-K29 VanDerWaalsContact O-N 3.13Å; K26-K29 PolarHBondContact O-N 3.48Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.44Å; K29-K33 VanDerWaalsContact O-CB 3.31Å; K29-K33 WeakPolarHBondContact O-CB 3.25Å; K29-K33 PolarHBondContact O-N 2.81Å; K29-C145 WeakPolarHBondContact CE-O 3.45Å; K29-E146 IonicContact NZ-OE2 2.63Å; K29-E146 PolarHBondContact NZ-OE2 3.44Å; K29-V147 HydrophobicContact CB-CG1 4.3Å; K29-V147 HydrophobicContact CG-CG1 3.6Å
30I97.8Very high97.3Very high48 Ų4859.3 Ų59.325%0.24632%0.319CS..Hα-helixtrans-65.3-50.2176.7-67.8166.5000110.9Y22 K26 L27 A28 A32 K33 A34 L106 I110Y22-I30 HydrophobicContact CD1-CD1 3.88Å; Y22-I30 HydrophobicContact CE1-CD1 3.3Å; K26-I30 HydrophobicContact CG-CD1 4.37Å; K26-I30 WeakPolarHBondContact O-CG1 3.32Å; K26-I30 PolarHBondContact O-N 2.83Å; L27-I30 PolarHBondContact O-N 3.48Å; L27-I30 VanDerWaalsContact O-N 3.15Å; A28-I30 PolarHBondContact O-N 3.15Å; I30-A32 PolarHBondContact O-N 3.19Å; I30-K33 PolarHBondContact O-N 3.4Å; I30-A34 WeakPolarHBondContact O-CB 3.04Å; I30-A34 PolarHBondContact O-N 3.02Å; I30-L106 HydrophobicContact CG2-CD1 4.36Å; I30-I110 HydrophobicContact CG2-CD1 4.22Å
31F98.4Very high97.7Very high0 Ų060 Ų600%034%0.342CS..Hα-helixtrans-64-40.8-178.5-74.31.4000112.2L27 A28 A34 G35 L36 L44 W47 L48 A51 F75 L106 I110L27-F31 HydrophobicContact CD1-CD1 4Å; L27-F31 HydrophobicContact CD1-CE1 3.42Å; L27-F31 VanDerWaalsContact CD1-CE1 3.42Å; L27-F31 HydrophobicContact CD1-CE2 4.27Å; L27-F31 HydrophobicContact CD1-CZ 3.57Å; L27-F31 HydrophobicContact CD2-CD2 4.47Å; L27-F31 HydrophobicContact CD2-CE1 4.31Å; L27-F31 HydrophobicContact CD2-CE2 3.69Å; L27-F31 HydrophobicContact CD2-CZ 3.6Å; L27-F31 HydrophobicContact CG-CD1 4.12Å; L27-F31 HydrophobicContact CG-CD2 4.07Å; L27-F31 HydrophobicContact CG-CE1 3.74Å; L27-F31 HydrophobicContact CG-CE2 3.68Å; L27-F31 HydrophobicContact CG-CG 4.28Å; L27-F31 HydrophobicContact CG-CZ 3.5Å; L27-F31 WeakPolarHBondContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CG 3.34Å; L27-F31 PolarHBondContact O-N 3.19Å; A28-F31 PolarHBondContact O-N 3.38Å; F31-A34 PolarHBondContact O-N 3.02Å; F31-G35 PolarHBondContact O-N 2.87Å; F31-L36 HydrophobicContact CB-CB 4.28Å; F31-L36 HydrophobicContact CB-CD1 3.8Å; F31-L36 HydrophobicContact CD1-CD1 3.71Å; F31-L36 HydrophobicContact CD2-CD1 4.11Å; F31-L36 HydrophobicContact CE1-CD1 4.27Å; F31-L36 HydrophobicContact CG-CD1 3.61Å; F31-L36 WeakPolarHBondContact O-CB 3.4Å; F31-L36 PolarHBondContact O-N 3.13Å; F31-L44 HydrophobicContact CB-CD1 3.51Å; F31-W47 HydrophobicContact CD2-CB 3.71Å; F31-W47 HydrophobicContact CE2-CB 4.01Å; F31-L48 HydrophobicContact CD2-CD2 4Å; F31-L48 HydrophobicContact CD2-CG 4.39Å; F31-L48 HydrophobicContact CE2-CD2 4.3Å; F31-A51 HydrophobicContact CE2-CB 4.12Å; F31-A51 HydrophobicContact CZ-CB 4.16Å; F31-F75 HydrophobicContact CE1-CE1 4.12Å; F31-F75 AromaticContact CE1-CZ 3.6Å; F31-F75 HydrophobicContact CE1-CZ 3.6Å; F31-F75 HydrophobicContact CE2-CE1 4.04Å; F31-F75 HydrophobicContact CE2-CZ 4.3Å; F31-F75 AromaticContact CZ-CE1 3.43Å; F31-F75 HydrophobicContact CZ-CE1 3.43Å; F31-F75 VanDerWaalsContact CZ-CE1 3.43Å; F31-F75 AromaticContact CZ-CZ 3.41Å; F31-F75 HydrophobicContact CZ-CZ 3.41Å; F31-F75 VanDerWaalsContact CZ-CZ 3.41Å; F31-L106 HydrophobicContact CE1-CD1 4.17Å; F31-I110 HydrophobicContact CD1-CD1 4.16Å; F31-I110 HydrophobicContact CE1-CD1 4.29Å; F31-I110 HydrophobicContact CE1-CG1 4.39Å
32A98.1Very high97.8Very high33 Ų3356 Ų5627%0.27332%0.321SS..Hα-helixtrans-60.8-49.6173.400000111.1A28 I30 A34 G35 L44 V147A28-A32 VanDerWaalsContact O-CB 3.25Å; A28-A32 WeakPolarHBondContact O-CB 3.22Å; A28-A32 PolarHBondContact O-N 3.44Å; I30-A32 PolarHBondContact O-N 3.19Å; A32-A34 VanDerWaalsContact C-N 3.25Å; A32-A34 PolarHBondContact O-N 3.31Å; A32-G35 PolarHBondContact O-N 3.17Å; A32-L44 HydrophobicContact CB-CD1 4.42Å; A32-L44 HydrophobicContact CB-CD2 4.11Å; A32-V147 HydrophobicContact CB-CG1 4.35Å
33K98Very high97.9Very high197 Ų19757 Ų5786%0.85733%0.332SS*.Hα-helixtrans-61.6-33.3177.9-174.4177.6179.1-177.90112.8K29 I30 G35K29-K33 VanDerWaalsContact O-CB 3.31Å; K29-K33 WeakPolarHBondContact O-CB 3.25Å; K29-K33 PolarHBondContact O-N 2.81Å; I30-K33 PolarHBondContact O-N 3.4Å; K33-G35 PolarHBondContact O-N 3.02Å
34A98.1Very high97.9Very high36 Ų3652.6 Ų52.630%0.29831%0.305SS..THydrogen-bonded Turntrans-781.1176.200000113.5I30 F31 A32 I110 K114I30-A34 WeakPolarHBondContact O-CB 3.04Å; I30-A34 PolarHBondContact O-N 3.02Å; F31-A34 PolarHBondContact O-N 3.02Å; A32-A34 VanDerWaalsContact C-N 3.25Å; A32-A34 PolarHBondContact O-N 3.31Å; A34-I110 HydrophobicContact CB-CD1 3.85Å; A34-I110 HydrophobicContact CB-CG2 4.03Å; A34-K114 PolarHBondContact O-NZ 3.36Å
35G97.9Very high98Very high37 Ų3748.7 Ų48.738%0.38129%0.291SS..THydrogen-bonded Turntrans66.143.6179.200000112.4F31 A32 K33 K114F31-G35 PolarHBondContact O-N 2.87Å; A32-G35 PolarHBondContact O-N 3.17Å; K33-G35 PolarHBondContact O-N 3.02Å; G35-K114 WeakPolarHBondContact O-CE 3.24Å; G35-K114 PolarHBondContact O-NZ 3.38Å
36L98.5Very high98Very high0 Ų047.7 Ų47.70%028%0.283CS..  trans-87.5-24.4170.1-71.7176.7000112.6F31 N38 Y39 W47 I110 K114F31-L36 HydrophobicContact CB-CB 4.28Å; F31-L36 HydrophobicContact CB-CD1 3.8Å; F31-L36 HydrophobicContact CD1-CD1 3.71Å; F31-L36 HydrophobicContact CD2-CD1 4.11Å; F31-L36 HydrophobicContact CE1-CD1 4.27Å; F31-L36 HydrophobicContact CG-CD1 3.61Å; F31-L36 WeakPolarHBondContact O-CB 3.4Å; F31-L36 PolarHBondContact O-N 3.13Å; L36-N38 PolarHBondContact O-N 3.16Å; L36-Y39 WeakPolarHBondContact O-CB 3.47Å; L36-Y39 PolarHBondContact O-N 2.95Å; L36-W47 HydrophobicContact CB-CD2 4.09Å; L36-W47 HydrophobicContact CB-CG 3.98Å; L36-W47 HydrophobicContact CD1-CB 4.48Å; L36-W47 HydrophobicContact CD1-CD2 4.06Å; L36-W47 HydrophobicContact CD1-CE3 4.05Å; L36-W47 HydrophobicContact CD1-CG 4.26Å; L36-W47 HydrophobicContact CD2-CD2 3.88Å; L36-W47 HydrophobicContact CD2-CE3 3.93Å; L36-W47 HydrophobicContact CD2-CH2 3.75Å; L36-W47 HydrophobicContact CD2-CZ2 3.71Å; L36-W47 HydrophobicContact CD2-CZ3 3.86Å; L36-W47 HydrophobicContact CG-CD2 4.25Å; L36-W47 PolarHBondContact O-NE1 2.77Å; L36-I110 HydrophobicContact CD1-CG1 4.32Å; L36-I110 HydrophobicContact CD1-CG2 4.11Å; L36-I110 HydrophobicContact CD2-CG2 4.07Å; L36-I110 HydrophobicContact CG-CG2 4.14Å; L36-K114 HydrophobicContact CD2-CD 4.16Å; L36-K114 HydrophobicContact CD2-CG 3.68Å
37D97.7Very high98.1Very high46 Ų4642.9 Ų42.925%0.24626%0.262CS..THydrogen-bonded Turntrans-63.2130.5174.6-158.811.5000110.5Y39 L44 K142D37-Y39 PolarHBondContact O-N 3.28Å; D37-Y39 VanDerWaalsContact O-N 3.13Å; D37-L44 HydrophobicContact CB-CB 3.97Å; D37-L44 PolarHBondContact OD1-N 2.87Å; D37-K142 IonicContact OD2-NZ 3.26Å
38N97.4Very high98.1Very high118 Ų11842.9 Ų42.963%0.63126%0.262SS*.THydrogen-bonded Turntrans59.47.2-171-60.9-36.4000116.3L36 G40 G41 F42L36-N38 PolarHBondContact O-N 3.16Å; N38-G40 PolarHBondContact O-N 3.3Å; N38-G41 PolarHBondContact O-N 3.34Å; N38-F42 VanDerWaalsContact CA-O 3.29Å; N38-F42 WeakPolarHBondContact CA-O 3.45Å; N38-F42 PolarHBondContact N-O 3.3Å
39Y98.4Very high98.1Very high69 Ų6942.9 Ų42.927%0.27126%0.262SS..G310 helixtrans-66.3126.1175.5-174-88.2000110.4L36 D37 G41 F42 W47 K114 V117L36-Y39 WeakPolarHBondContact O-CB 3.47Å; L36-Y39 PolarHBondContact O-N 2.95Å; D37-Y39 PolarHBondContact O-N 3.28Å; D37-Y39 VanDerWaalsContact O-N 3.13Å; Y39-G41 PolarHBondContact O-N 2.96Å; Y39-F42 PolarHBondContact O-N 3.3Å; Y39-F42 VanDerWaalsContact O-N 3.16Å; Y39-W47 HydrophobicContact CD1-CH2 4.29Å; Y39-W47 AromaticContact CD1-CZ2 3.85Å; Y39-W47 HydrophobicContact CD1-CZ2 3.85Å; Y39-W47 HydrophobicContact CG-CZ2 4.48Å; Y39-K114 HydrophobicContact CD1-CB 4.41Å; Y39-K114 HydrophobicContact CD1-CG 3.93Å; Y39-K114 HydrophobicContact CD2-CD 4.02Å; Y39-K114 HydrophobicContact CD2-CG 4.23Å; Y39-K114 HydrophobicContact CE1-CB 3.68Å; Y39-K114 HydrophobicContact CE1-CD 4.42Å; Y39-K114 HydrophobicContact CE1-CG 3.69Å; Y39-K114 WeakPolarHBondContact CE1-O 3.48Å; Y39-K114 HydrophobicContact CE2-CB 4.27Å; Y39-K114 HydrophobicContact CE2-CD 3.81Å; Y39-K114 HydrophobicContact CE2-CG 4.01Å; Y39-K114 HydrophobicContact CG-CD 4.41Å; Y39-K114 HydrophobicContact CG-CG 4.19Å; Y39-K114 PolarHBondContact OH-O 3.36Å; Y39-V117 HydrophobicContact CD1-CG1 4.34Å; Y39-V117 HydrophobicContact CE1-CB 4.28Å; Y39-V117 HydrophobicContact CE1-CG1 4.23Å
40G97.3Very high98.1Very high55 Ų5538.2 Ų38.257%0.56724%0.242SC*.G310 helixtrans64.516.3-177.800000114.3N38 F42N38-G40 PolarHBondContact O-N 3.3Å; G40-F42 WeakPolarHBondContact O-CD2 3.43Å; G40-F42 WeakPolarHBondContact O-CE2 3.37Å
41G97.2Very high98.2Very high71 Ų7136 Ų3673%0.73223%0.23SC*.G310 helixtrans84.36.4-175.300000114.6N38 Y39N38-G41 PolarHBondContact O-N 3.34Å; Y39-G41 PolarHBondContact O-N 2.96Å
42F98.1Very high98.2Very high36 Ų3640.3 Ų40.316%0.15825%0.247CC..  trans-100125.7179.4-63.5-82.6000111.5N38 Y39 G40 N46 V117 M123 W129N38-F42 VanDerWaalsContact CA-O 3.29Å; N38-F42 WeakPolarHBondContact CA-O 3.45Å; N38-F42 PolarHBondContact N-O 3.3Å; Y39-F42 PolarHBondContact O-N 3.3Å; Y39-F42 VanDerWaalsContact O-N 3.16Å; G40-F42 WeakPolarHBondContact O-CD2 3.43Å; G40-F42 WeakPolarHBondContact O-CE2 3.37Å; F42-N46 HydrophobicContact CB-CB 3.99Å; F42-N46 HydrophobicContact CD1-CB 4.26Å; F42-V117 HydrophobicContact CD2-CG1 4.22Å; F42-V117 HydrophobicContact CE2-CG1 4.12Å; F42-M123 HydrophobicContact CB-SD 4Å; F42-M123 HydrophobicContact CD1-CG 3.93Å; F42-M123 HydrophobicContact CD1-SD 3.52Å; F42-M123 VanDerWaalsContact CD1-SD 3.52Å; F42-M123 HydrophobicContact CD2-CG 3.94Å; F42-M123 HydrophobicContact CD2-SD 4.1Å; F42-M123 HydrophobicContact CE1-CB 4.2Å; F42-M123 HydrophobicContact CE1-CG 3.83Å; F42-M123 HydrophobicContact CE1-SD 4Å; F42-M123 HydrophobicContact CE2-CG 3.86Å; F42-M123 HydrophobicContact CG-CG 3.98Å; F42-M123 HydrophobicContact CG-SD 3.58Å; F42-M123 VanDerWaalsContact CG-SD 3.58Å; F42-M123 HydrophobicContact CZ-CB 4.23Å; F42-M123 HydrophobicContact CZ-CG 3.81Å; F42-M123 HydrophobicContact CZ-SD 4.5Å; F42-W129 HydrophobicContact CD1-CZ2 4.1Å; F42-W129 AromaticContact CE1-CH2 3.93Å; F42-W129 HydrophobicContact CE1-CH2 3.93Å; F42-W129 AromaticContact CE1-CZ2 3.71Å; F42-W129 HydrophobicContact CE1-CZ2 3.71Å
43A97.8Very high98.2Very high37 Ų3743 Ų4331%0.30625%0.251SS..  trans-62.1155.6172.100000111.9G45 N46 M138A43-G45 PolarHBondContact O-N 3.34Å; A43-N46 PolarHBondContact N-ND2 3.44Å; A43-N46 VanDerWaalsContact O-CB 3.29Å; A43-N46 WeakPolarHBondContact O-CB 3.24Å; A43-N46 PolarHBondContact O-N 2.88Å; A43-N46 PolarHBondContact O-ND2 3.49Å; A43-M138 HydrophobicContact CB-CB 4.5Å
44L98.3Very high98.3Very high0 Ų035.6 Ų35.60%022%0.22CC..Hα-helixtrans-48.4-38.3177.2-175.662.5000113.4A28 F31 A32 D37 N46 W47 L48 K142 V147A28-L44 HydrophobicContact CB-CD2 4.44Å; F31-L44 HydrophobicContact CB-CD1 3.51Å; A32-L44 HydrophobicContact CB-CD1 4.42Å; A32-L44 HydrophobicContact CB-CD2 4.11Å; D37-L44 HydrophobicContact CB-CB 3.97Å; D37-L44 PolarHBondContact OD1-N 2.87Å; L44-N46 VanDerWaalsContact C-N 3.26Å; L44-N46 PolarHBondContact O-N 3.23Å; L44-W47 WeakPolarHBondContact O-CB 3.43Å; L44-W47 PolarHBondContact O-N 3.01Å; L44-W47 VanDerWaalsContact O-N 3.16Å; L44-L48 HydrophobicContact CG-CD1 4.26Å; L44-L48 PolarHBondContact O-N 3.3Å; L44-L48 VanDerWaalsContact O-N 3.14Å; L44-K142 HydrophobicContact CB-CD 4.46Å; L44-K142 HydrophobicContact CD2-CB 4.36Å; L44-K142 HydrophobicContact CD2-CD 4.18Å; L44-V147 HydrophobicContact CD2-CB 4.28Å; L44-V147 HydrophobicContact CD2-CG2 3.77Å
45G98.4Very high98.3Very high2 Ų234.4 Ų34.42%0.02121%0.209CC..Hα-helixtrans-62.9-28178.600000114A43 L48 C49A43-G45 PolarHBondContact O-N 3.34Å; G45-L48 PolarHBondContact O-N 3.13Å; G45-C49 WeakPolarHBondContact O-CB 3.2Å; G45-C49 PolarHBondContact O-N 3.06Å
46N98.7Very high98.3Very high18 Ų1838.1 Ų38.110%0.09622%0.216CC..Hα-helixtrans-63.6-43.2173.3-74.8-75.7000111.5F42 A43 L44 C49 M50 M123 W129 M138F42-N46 HydrophobicContact CB-CB 3.99Å; F42-N46 HydrophobicContact CD1-CB 4.26Å; A43-N46 PolarHBondContact N-ND2 3.44Å; A43-N46 VanDerWaalsContact O-CB 3.29Å; A43-N46 WeakPolarHBondContact O-CB 3.24Å; A43-N46 PolarHBondContact O-N 2.88Å; A43-N46 PolarHBondContact O-ND2 3.49Å; L44-N46 VanDerWaalsContact C-N 3.26Å; L44-N46 PolarHBondContact O-N 3.23Å; N46-C49 PolarHBondContact O-N 3.34Å; N46-M50 VanDerWaalsContact O-CB 3.28Å; N46-M50 WeakPolarHBondContact O-CB 3.21Å; N46-M50 PolarHBondContact O-N 3.02Å; N46-M123 HydrophobicContact CB-CE 4.44Å; N46-M123 HydrophobicContact CB-SD 3.77Å; N46-W129 PolarHBondContact OD1-NE1 2.93Å; N46-M138 HydrophobicContact CB-SD 4.47Å
47W98.8Very high98.3Very high0 Ų038.8 Ų38.80%022%0.219CC..Hα-helixtrans-66.3-41.1178.2-62.995.9000111.8F31 L36 Y39 L44 M50 A51 A113 V117 M123F31-W47 HydrophobicContact CD2-CB 3.71Å; F31-W47 HydrophobicContact CE2-CB 4.01Å; L36-W47 HydrophobicContact CB-CD2 4.09Å; L36-W47 HydrophobicContact CB-CG 3.98Å; L36-W47 HydrophobicContact CD1-CB 4.48Å; L36-W47 HydrophobicContact CD1-CD2 4.06Å; L36-W47 HydrophobicContact CD1-CE3 4.05Å; L36-W47 HydrophobicContact CD1-CG 4.26Å; L36-W47 HydrophobicContact CD2-CD2 3.88Å; L36-W47 HydrophobicContact CD2-CE3 3.93Å; L36-W47 HydrophobicContact CD2-CH2 3.75Å; L36-W47 HydrophobicContact CD2-CZ2 3.71Å; L36-W47 HydrophobicContact CD2-CZ3 3.86Å; L36-W47 HydrophobicContact CG-CD2 4.25Å; L36-W47 PolarHBondContact O-NE1 2.77Å; Y39-W47 HydrophobicContact CD1-CH2 4.29Å; Y39-W47 AromaticContact CD1-CZ2 3.85Å; Y39-W47 HydrophobicContact CD1-CZ2 3.85Å; Y39-W47 HydrophobicContact CG-CZ2 4.48Å; L44-W47 WeakPolarHBondContact O-CB 3.43Å; L44-W47 PolarHBondContact O-N 3.01Å; L44-W47 VanDerWaalsContact O-N 3.16Å; W47-M50 HydrophobicContact CE3-CE 3.81Å; W47-M50 HydrophobicContact CZ3-CE 4.09Å; W47-A51 WeakPolarHBondContact O-CB 3.42Å; W47-A51 PolarHBondContact O-N 2.77Å; W47-A113 HydrophobicContact CZ3-CB 4.03Å; W47-V117 HydrophobicContact CH2-CB 4.31Å; W47-V117 HydrophobicContact CH2-CG2 3.48Å; W47-V117 VanDerWaalsContact CH2-CG2 3.48Å; W47-V117 HydrophobicContact CZ2-CG2 4.05Å; W47-V117 HydrophobicContact CZ3-CG2 4.26Å; W47-M123 HydrophobicContact CD2-CE 4.4Å; W47-M123 HydrophobicContact CE3-CE 4.3Å
48L98.7Very high98.3Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-65.9-40.6174.9-69.5172000112.3L27 A28 F31 L44 G45 Y52 Y57 W141 K142L27-L48 HydrophobicContact CB-CD2 4.02Å; L27-L48 HydrophobicContact CD2-CD2 4.14Å; L27-L48 HydrophobicContact CG-CD2 4.11Å; A28-L48 HydrophobicContact CB-CD1 3.74Å; A28-L48 HydrophobicContact CB-CD2 4.13Å; F31-L48 HydrophobicContact CD2-CD2 4Å; F31-L48 HydrophobicContact CD2-CG 4.39Å; F31-L48 HydrophobicContact CE2-CD2 4.3Å; L44-L48 HydrophobicContact CG-CD1 4.26Å; L44-L48 PolarHBondContact O-N 3.3Å; L44-L48 VanDerWaalsContact O-N 3.14Å; G45-L48 PolarHBondContact O-N 3.13Å; L48-Y52 WeakPolarHBondContact O-CB 3.15Å; L48-Y52 PolarHBondContact O-N 2.91Å; L48-Y57 WeakPolarHBondContact O-CE1 3.28Å; L48-Y57 PolarHBondContact O-OH 2.83Å; L48-W141 HydrophobicContact CB-CB 4.09Å; L48-W141 HydrophobicContact CB-CE3 4.12Å; L48-W141 HydrophobicContact CD1-CB 4.28Å; L48-W141 WeakPolarHBondContact CD1-O 3.3Å; L48-K142 HydrophobicContact CD1-CB 4.4Å
49C98.8Very high98.3Very high0 Ų032.9 Ų32.90%019%0.187CC..Hα-helixtrans-66.4-47.5176.8-170.70000110.8G45 N46 Y52 Y53 C133 M138 W141G45-C49 WeakPolarHBondContact O-CB 3.2Å; G45-C49 PolarHBondContact O-N 3.06Å; N46-C49 PolarHBondContact O-N 3.34Å; C49-Y52 PolarHBondContact O-N 2.93Å; C49-Y53 VanDerWaalsContact O-CD2 3.31Å; C49-Y53 WeakPolarHBondContact O-CD2 3.29Å; C49-Y53 PolarHBondContact O-N 3.31Å; C49-C133 VanDerWaalsContact C-SG 3.51Å; C49-C133 HydrophobicContact CB-CB 3.78Å; C49-C133 WeakPolarHBondContact CB-SG 3.35Å; C49-C133 WeakPolarHBondContact SG-CB 3.4Å; C49-C133 CovalentContact SG-SG 2.01Å; C49-C133 PolarHBondContact SG-SG 3.34Å; C49-M138 HydrophobicContact CB-SD 4.17Å; C49-W141 HydrophobicContact CB-CD2 3.78Å; C49-W141 HydrophobicContact CB-CE3 4.36Å; C49-W141 HydrophobicContact CB-CG 4.18Å; C49-W141 HydrophobicContact CB-CH2 4.29Å; C49-W141 HydrophobicContact CB-CZ2 3.71Å; C49-W141 WeakPolarHBondContact SG-CZ2 3.31Å
50M98.8Very high98.2Very high0 Ų031.1 Ų31.10%018%0.184CC..Hα-helixtrans-56.4-57.7176.8-178.7-92.7-74.700111.1N46 W47 Y52 Y53 E54 F75 M123 W126 W129N46-M50 VanDerWaalsContact O-CB 3.28Å; N46-M50 WeakPolarHBondContact O-CB 3.21Å; N46-M50 PolarHBondContact O-N 3.02Å; W47-M50 HydrophobicContact CE3-CE 3.81Å; W47-M50 HydrophobicContact CZ3-CE 4.09Å; M50-Y52 PolarHBondContact O-N 3.09Å; M50-Y52 VanDerWaalsContact O-N 3.09Å; M50-Y53 PolarHBondContact O-N 2.87Å; M50-Y53 VanDerWaalsContact O-N 3.08Å; M50-E54 HydrophobicContact CG-CG 4Å; M50-E54 WeakPolarHBondContact O-CB 2.98Å; M50-E54 VanDerWaalsContact O-CG 3.24Å; M50-E54 WeakPolarHBondContact O-CG 3.49Å; M50-E54 PolarHBondContact O-N 3.06Å; M50-E54 HydrophobicContact SD-CG 3.95Å; M50-F75 HydrophobicContact CE-CD1 3.34Å; M50-F75 HydrophobicContact CE-CE1 3.74Å; M50-F75 HydrophobicContact CE-CG 4.2Å; M50-F75 HydrophobicContact SD-CB 4.43Å; M50-F75 HydrophobicContact SD-CD1 3.65Å; M50-F75 HydrophobicContact SD-CE1 4.42Å; M50-F75 HydrophobicContact SD-CG 4.48Å; M50-M123 HydrophobicContact CB-CE 3.6Å; M50-M123 HydrophobicContact CE-CE 3.93Å; M50-M123 HydrophobicContact CG-CE 3.88Å; M50-W126 HydrophobicContact CE-CD2 3.98Å; M50-W126 HydrophobicContact CE-CE3 4.39Å; M50-W126 HydrophobicContact CE-CG 4.49Å; M50-W126 HydrophobicContact CE-CH2 4.4Å; M50-W126 HydrophobicContact CE-CZ2 3.97Å; M50-W126 HydrophobicContact CG-CB 3.77Å; M50-W126 HydrophobicContact CG-CD2 3.85Å; M50-W126 HydrophobicContact CG-CE3 4.41Å; M50-W126 HydrophobicContact CG-CG 3.55Å; M50-W126 HydrophobicContact SD-CD2 3.94Å; M50-W126 HydrophobicContact SD-CG 3.83Å; M50-W129 HydrophobicContact CB-CB 3.81Å; M50-W129 HydrophobicContact CB-CG 4.07Å; M50-W129 HydrophobicContact CG-CB 3.78Å; M50-W129 HydrophobicContact CG-CG 4.4Å
51A98.8Very high98.3Very high0 Ų029.2 Ų29.20%016%0.163CC..Hα-helixtrans-59.5-29.2-178.100000113.2L27 F31 W47 S55 Y57 I74 F75L27-A51 HydrophobicContact CD2-CB 4.11Å; F31-A51 HydrophobicContact CE2-CB 4.12Å; F31-A51 HydrophobicContact CZ-CB 4.16Å; W47-A51 WeakPolarHBondContact O-CB 3.42Å; W47-A51 PolarHBondContact O-N 2.77Å; A51-S55 PolarHBondContact O-N 3.35Å; A51-S55 PolarHBondContact O-OG 3.07Å; A51-Y57 HydrophobicContact CB-CD1 3.8Å; A51-Y57 HydrophobicContact CB-CE1 3.8Å; A51-Y57 PolarHBondContact O-N 3.19Å; A51-I74 HydrophobicContact CB-CD1 4.5Å; A51-I74 HydrophobicContact CB-CG1 4.12Å; A51-F75 HydrophobicContact CB-CD1 4.26Å; A51-F75 HydrophobicContact CB-CE1 4.14Å
52Y98.7Very high98.2Very high91 Ų9131.1 Ų31.136%0.35715%0.153SC..Hα-helixtrans-70.5-48175.2-177.9-101.2000112.1L48 C49 M50 E54 H56 Y57 W141L48-Y52 WeakPolarHBondContact O-CB 3.15Å; L48-Y52 PolarHBondContact O-N 2.91Å; C49-Y52 PolarHBondContact O-N 2.93Å; M50-Y52 PolarHBondContact O-N 3.09Å; M50-Y52 VanDerWaalsContact O-N 3.09Å; Y52-E54 VanDerWaalsContact C-N 3.33Å; Y52-H56 AromaticContact CE2-ND1 3.8Å; Y52-H56 AromaticContact CZ-ND1 3.72Å; Y52-H56 WeakPolarHBondContact O-CA 3.43Å; Y52-H56 PolarHBondContact O-N 3.41Å; Y52-H56 PolarHBondContact O-ND1 3.16Å; Y52-Y57 HydrophobicContact CD2-CD2 4.17Å; Y52-Y57 AromaticContact CD2-CE2 3.84Å; Y52-Y57 HydrophobicContact CD2-CE2 3.84Å; Y52-W141 AromaticContact CD1-CH2 3.78Å; Y52-W141 HydrophobicContact CD1-CH2 3.78Å; Y52-W141 HydrophobicContact CD1-CZ3 4.28Å; Y52-W141 AromaticContact CG-CH2 3.95Å; Y52-W141 HydrophobicContact CG-CH2 3.95Å; Y52-W141 AromaticContact CG-CZ3 3.98Å; Y52-W141 HydrophobicContact CG-CZ3 3.98Å
53Y98.7Very high98.2Very high90 Ų9033.1 Ų33.135%0.35317%0.165SC..Hα-helixtrans-77.6-19-176.7-78.8-71.1000113.8C49 M50 N132 W141C49-Y53 VanDerWaalsContact O-CD2 3.31Å; C49-Y53 WeakPolarHBondContact O-CD2 3.29Å; C49-Y53 PolarHBondContact O-N 3.31Å; M50-Y53 PolarHBondContact O-N 2.87Å; M50-Y53 VanDerWaalsContact O-N 3.08Å; Y53-N132 HydrophobicContact CD1-CB 3.83Å; Y53-N132 WeakPolarHBondContact CD1-ND2 3.36Å; Y53-N132 HydrophobicContact CD2-CB 3.45Å; Y53-N132 VanDerWaalsContact CD2-CB 3.45Å; Y53-N132 HydrophobicContact CE1-CB 3.7Å; Y53-N132 VanDerWaalsContact CE1-CG 3.42Å; Y53-N132 HydrophobicContact CE2-CB 3.31Å; Y53-N132 HydrophobicContact CG-CB 3.71Å; Y53-N132 VanDerWaalsContact CZ-CB 3.43Å; Y53-W141 HydrophobicContact CD2-CH2 4.47Å; Y53-W141 HydrophobicContact CE2-CH2 4.01Å; Y53-W141 AromaticContact CE2-CZ2 3.86Å; Y53-W141 HydrophobicContact CE2-CZ2 3.86Å
54E98.7Very high98.1Very high42 Ų4236 Ų3620%0.19618%0.179CC..Hα-helixtrans-86.4-38.7175.6-63-57.3154.900112.6M50 Y52 Q76 W126 Q127 G128 W129M50-E54 HydrophobicContact CG-CG 4Å; M50-E54 WeakPolarHBondContact O-CB 2.98Å; M50-E54 VanDerWaalsContact O-CG 3.24Å; M50-E54 WeakPolarHBondContact O-CG 3.49Å; M50-E54 PolarHBondContact O-N 3.06Å; M50-E54 HydrophobicContact SD-CG 3.95Å; Y52-E54 VanDerWaalsContact C-N 3.33Å; E54-Q76 HydrophobicContact CB-CB 4.19Å; E54-Q76 HydrophobicContact CB-CG 3.8Å; E54-Q76 WeakPolarHBondContact O-CG 3.39Å; E54-W126 HydrophobicContact CG-CB 4.3Å; E54-W126 HydrophobicContact CG-CG 4.29Å; E54-W126 WeakPolarHBondContact OE1-CA 3.29Å; E54-W126 VanDerWaalsContact OE1-CB 3.27Å; E54-W126 WeakPolarHBondContact OE1-CB 3.22Å; E54-Q127 PolarHBondContact OE1-N 3.14Å; E54-G128 WeakPolarHBondContact OE1-CA 3.37Å; E54-G128 PolarHBondContact OE1-N 3.4Å; E54-W129 PolarHBondContact OE1-N 3.23Å
55S98.4Very high97.9Very high10 Ų1038.9 Ų38.97%0.0719%0.193CC..Hα-helixtrans-140.61.4-171.466.90000115.5A51 Y57 N58 I74A51-S55 PolarHBondContact O-N 3.35Å; A51-S55 PolarHBondContact O-OG 3.07Å; S55-Y57 PolarHBondContact O-N 2.85Å; S55-Y57 PolarHBondContact OG-N 3.39Å; S55-N58 WeakPolarHBondContact O-CB 3.28Å; S55-N58 PolarHBondContact O-N 3.41Å; S55-I74 WeakPolarHBondContact OG-CA 3.4Å; S55-I74 PolarHBondContact OG-O 3.15Å
56H98.2Very high97.7Very high116 Ų11648.7 Ų48.754%0.53724%0.239SC..THydrogen-bonded Turntrans51.236.6-166.8-61-66.3000112.8Y52 N58Y52-H56 AromaticContact CE2-ND1 3.8Å; Y52-H56 AromaticContact CZ-ND1 3.72Å; Y52-H56 WeakPolarHBondContact O-CA 3.43Å; Y52-H56 PolarHBondContact O-N 3.41Å; Y52-H56 PolarHBondContact O-ND1 3.16Å; H56-N58 PolarHBondContact O-N 2.98Å
57Y98.3Very high97.4Very high13 Ų1353 Ų535%0.05126%0.262CS..THydrogen-bonded Turntrans63.418.8-176.8-52-39.8000115.7I21 Y22 R24 L27 L48 A51 Y52 S55 W141I21-Y57 WeakPolarHBondContact CA-O 3.48Å; Y22-Y57 PolarHBondContact N-O 3.24Å; Y22-Y57 WeakPolarHBondContact O-CB 3.22Å; Y22-Y57 VanDerWaalsContact O-CD2 3.24Å; Y22-Y57 WeakPolarHBondContact O-CD2 3.01Å; R24-Y57 HydrophobicContact CB-CE2 4.01Å; R24-Y57 HydrophobicContact CG-CE2 4.5Å; L27-Y57 HydrophobicContact CD2-CD1 3.24Å; L27-Y57 HydrophobicContact CD2-CE1 3.44Å; L27-Y57 VanDerWaalsContact CD2-CE1 3.44Å; L27-Y57 HydrophobicContact CD2-CG 3.88Å; L48-Y57 WeakPolarHBondContact O-CE1 3.28Å; L48-Y57 PolarHBondContact O-OH 2.83Å; A51-Y57 HydrophobicContact CB-CD1 3.8Å; A51-Y57 HydrophobicContact CB-CE1 3.8Å; A51-Y57 PolarHBondContact O-N 3.19Å; Y52-Y57 HydrophobicContact CD2-CD2 4.17Å; Y52-Y57 AromaticContact CD2-CE2 3.84Å; Y52-Y57 HydrophobicContact CD2-CE2 3.84Å; S55-Y57 PolarHBondContact O-N 2.85Å; S55-Y57 PolarHBondContact OG-N 3.39Å; Y57-W141 WeakPolarHBondContact OH-CZ3 3.21Å
58N98Very high97Very high40 Ų4054 Ų5421%0.21427%0.272CS..BIsolated β-bridgetrans-82.3116.6176.2-176.6-1.7000110.8I21 S55 H56 T60 A61I21-N58 HydrophobicContact CG1-CB 4.13Å; S55-N58 WeakPolarHBondContact O-CB 3.28Å; S55-N58 PolarHBondContact O-N 3.41Å; H56-N58 PolarHBondContact O-N 2.98Å; N58-T60 VanDerWaalsContact C-N 3.27Å; N58-T60 PolarHBondContact O-N 3.32Å; N58-T60 PolarHBondContact OD1-N 3.04Å; N58-T60 VanDerWaalsContact OD1-N 3.07Å; N58-T60 PolarHBondContact OD1-OG1 3.22Å; N58-A61 HydrophobicContact CB-CB 4.16Å; N58-A61 PolarHBondContact O-N 3.17Å
59T97.9Very high96.8Very high0 Ų054.4 Ų54.40%028%0.275CS..THydrogen-bonded Turntrans-67.5-23.3-179.154.20000114.5K20 Y22 G73 I102 L106K20-T59 PolarHBondContact N-OG1 3.24Å; K20-T59 VanDerWaalsContact N-OG1 3.17Å; K20-T59 PolarHBondContact O-N 3.24Å; K20-T59 PolarHBondContact O-OG1 3.3Å; Y22-T59 HydrophobicContact CD2-CG2 3.62Å; Y22-T59 HydrophobicContact CE2-CG2 3.45Å; Y22-T59 VanDerWaalsContact CE2-CG2 3.45Å; T59-G73 VanDerWaalsContact O-CA 3.26Å; T59-G73 WeakPolarHBondContact O-CA 3.2Å; T59-I102 VanDerWaalsContact O-CA 3.28Å; T59-I102 WeakPolarHBondContact O-CA 3.35Å; T59-L106 HydrophobicContact CG2-CD2 3.71Å
60T96.7Very high96.6Very high33 Ų3354.7 Ų54.720%0.20228%0.277CS..THydrogen-bonded Turntrans-110.121.1-17969.10000112.2S19 N58 E62S19-T60 WeakPolarHBondContact CB-OG1 2.97Å; N58-T60 VanDerWaalsContact C-N 3.27Å; N58-T60 PolarHBondContact O-N 3.32Å; N58-T60 PolarHBondContact OD1-N 3.04Å; N58-T60 VanDerWaalsContact OD1-N 3.07Å; N58-T60 PolarHBondContact OD1-OG1 3.22Å; T60-E62 PolarHBondContact O-N 3.31Å
61A97.6Very high96.6Very high15 Ų1555.9 Ų55.912%0.12428%0.283CS..  trans-61.6129.1175.500000110.1N58 G73 Q76N58-A61 HydrophobicContact CB-CB 4.16Å; N58-A61 PolarHBondContact O-N 3.17Å; A61-G73 WeakPolarHBondContact O-CA 3.34Å; A61-G73 PolarHBondContact O-N 2.77Å; A61-Q76 PolarHBondContact O-NE2 3.34Å
62E96.9Very high96.5Very high111 Ų11157 Ų5752%0.51929%0.287SS..EExtended strand (participates in β ladder)trans-127.4134.1173.6-70-175.7-113.200108.9T60 T70 D71 Y72 I102T60-E62 PolarHBondContact O-N 3.31Å; E62-T70 HydrophobicContact CB-CG2 4.27Å; E62-D71 WeakPolarHBondContact CA-O 3.2Å; E62-Y72 HydrophobicContact CG-CD1 3.97Å; E62-Y72 HydrophobicContact CG-CE1 4.14Å; E62-Y72 WeakPolarHBondContact OE2-CE1 3.39Å; E62-I102 HydrophobicContact CG-CG2 4.35Å
63N97.1Very high96.5Very high77 Ų7752.6 Ų52.641%0.41227%0.27SS..EExtended strand (participates in β ladder)trans-130.6115.1177-179.739000109.8L65 T70 D71 Q76N63-L65 VanDerWaalsContact ND2-CD2 3.33Å; N63-L65 WeakPolarHBondContact ND2-CD2 3.2Å; N63-T70 CarbonylContact O-C 3.58Å; N63-T70 VanDerWaalsContact O-CA 3.31Å; N63-T70 WeakPolarHBondContact O-CA 3.18Å; N63-D71 HydrophobicContact CB-CB 4.31Å; N63-D71 PolarHBondContact N-O 3.42Å; N63-D71 PolarHBondContact O-N 2.01Å; N63-Q76 VanDerWaalsContact CB-OE1 3.28Å
64V95.7Very high96.5Very high99 Ų9948.4 Ų48.460%0.625%0.254SS*.EExtended strand (participates in β ladder)trans-85.6123.8178-177.40000108.8T70V64-T70 HydrophobicContact CG2-CG2 4.22Å
65L94.4Very high96.5Very high59 Ų5946.4 Ų46.431%0.30925%0.245SC..  trans-91162.7-179.7-55.8-174.1000111.5N63 D67 G68 S69 N78N63-L65 VanDerWaalsContact ND2-CD2 3.33Å; N63-L65 WeakPolarHBondContact ND2-CD2 3.2Å; L65-D67 VanDerWaalsContact C-N 3.25Å; L65-D67 WeakPolarHBondContact CB-OD1 3.31Å; L65-D67 PolarHBondContact O-N 2.85Å; L65-G68 WeakPolarHBondContact O-CA 2.98Å; L65-G68 PolarHBondContact O-N 2.98Å; L65-S69 PolarHBondContact N-O 3.38Å; L65-N78 WeakPolarHBondContact CD1-ND2 3.26Å
66E94Very high96.5Very high209 Ų20946.5 Ų46.598%0.97724%0.244SC*.THydrogen-bonded Turntrans-61.9-30.9-178.8-65.3-177.6174.100113.4G68E66-G68 PolarHBondContact O-N 3.22Å; E66-G68 VanDerWaalsContact O-N 3.17Å
67D91.6Very high96.5Very high107 Ų10741 Ų4157%0.57222%0.218SC*.THydrogen-bonded Turntrans-72.9-0.317574.7-10.3000113.1L65 S69L65-D67 VanDerWaalsContact C-N 3.25Å; L65-D67 WeakPolarHBondContact CB-OD1 3.31Å; L65-D67 PolarHBondContact O-N 2.85Å; D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 3.08Å; D67-S69 VanDerWaalsContact OD1-CB 3.23Å; D67-S69 WeakPolarHBondContact OD1-CB 3.27Å; D67-S69 PolarHBondContact OD1-N 3.05Å; D67-S69 PolarHBondContact OD1-OG 3.09Å; D67-S69 PolarHBondContact OD2-OG 3.26Å
68G91Very high96.5Very high21 Ų2141.1 Ų41.122%0.21622%0.22CC..SBendtrans80.8-0.6-179.400000114.2L65 E66 R87L65-G68 WeakPolarHBondContact O-CA 2.98Å; L65-G68 PolarHBondContact O-N 2.98Å; E66-G68 PolarHBondContact O-N 3.22Å; E66-G68 VanDerWaalsContact O-N 3.17Å; G68-R87 PolarHBondContact O-NH1 2.75Å
69S93.7Very high96.4Very high9 Ų939.2 Ų39.26%0.06321%0.21CC..  trans-73.1164.9168.173.50000110.8L65 D67 N78L65-S69 PolarHBondContact N-O 3.38Å; D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 3.08Å; D67-S69 VanDerWaalsContact OD1-CB 3.23Å; D67-S69 WeakPolarHBondContact OD1-CB 3.27Å; D67-S69 PolarHBondContact OD1-N 3.05Å; D67-S69 PolarHBondContact OD1-OG 3.09Å; D67-S69 PolarHBondContact OD2-OG 3.26Å; S69-N78 PolarHBondContact OG-ND2 2.81Å
70T96Very high96.2Very high7 Ų744.5 Ų44.54%0.04323%0.233CC..EExtended strand (participates in β ladder)trans-130.7135.9178.5-51.60000109.7E62 N63 V64 Y72 S79E62-T70 HydrophobicContact CB-CG2 4.27Å; N63-T70 CarbonylContact O-C 3.58Å; N63-T70 VanDerWaalsContact O-CA 3.31Å; N63-T70 WeakPolarHBondContact O-CA 3.18Å; V64-T70 HydrophobicContact CG2-CG2 4.22Å; T70-Y72 VanDerWaalsContact CB-CE2 3.48Å; T70-Y72 HydrophobicContact CG2-CD2 4.25Å; T70-Y72 HydrophobicContact CG2-CE1 4.1Å; T70-Y72 HydrophobicContact CG2-CE2 3.7Å; T70-Y72 WeakPolarHBondContact O-CD2 3.23Å; T70-Y72 WeakPolarHBondContact O-CE2 3.33Å; T70-S79 PolarHBondContact N-OG 3.48Å; T70-S79 WeakPolarHBondContact O-CB 3.33Å; T70-S79 PolarHBondContact O-N 2.96Å; T70-S79 PolarHBondContact O-OG 3.28Å
71D97.9Very high96.2Very high24 Ų2444.4 Ų44.413%0.12823%0.232CC..EExtended strand (participates in β ladder)trans-90.8133.9170.5-65.6-25.3000110E62 N63 Q76 N78E62-D71 WeakPolarHBondContact CA-O 3.2Å; N63-D71 HydrophobicContact CB-CB 4.31Å; N63-D71 PolarHBondContact N-O 3.42Å; N63-D71 PolarHBondContact O-N 2.01Å; D71-Q76 HydrophobicContact CB-CB 3.92Å; D71-N78 VanDerWaalsContact OD1-CA 3.28Å; D71-N78 WeakPolarHBondContact OD1-CA 3.39Å; D71-N78 WeakPolarHBondContact OD1-CB 3.28Å; D71-N78 PolarHBondContact OD1-ND2 3.48Å
72Y97.9Very high96.2Very high23 Ų2344.3 Ų44.39%0.0923%0.229CC..EExtended strand (participates in β ladder)trans-119.5136.1-170.5-70.7-90.4000113.4E62 T70 Q76 I77 N85 C98 I102E62-Y72 HydrophobicContact CG-CD1 3.97Å; E62-Y72 HydrophobicContact CG-CE1 4.14Å; E62-Y72 WeakPolarHBondContact OE2-CE1 3.39Å; T70-Y72 VanDerWaalsContact CB-CE2 3.48Å; T70-Y72 HydrophobicContact CG2-CD2 4.25Å; T70-Y72 HydrophobicContact CG2-CE1 4.1Å; T70-Y72 HydrophobicContact CG2-CE2 3.7Å; T70-Y72 WeakPolarHBondContact O-CD2 3.23Å; T70-Y72 WeakPolarHBondContact O-CE2 3.33Å; Y72-Q76 WeakPolarHBondContact O-CA 3.39Å; Y72-Q76 PolarHBondContact O-N 2.95Å; Y72-I77 PolarHBondContact N-O 3.03Å; Y72-I77 PolarHBondContact O-N 3.23Å; Y72-N85 PolarHBondContact OH-ND2 3.04Å; Y72-C98 HydrophobicContact CD1-CB 4Å; Y72-C98 HydrophobicContact CD2-CB 3.63Å; Y72-C98 HydrophobicContact CE1-CB 4.03Å; Y72-C98 HydrophobicContact CE2-CB 3.63Å; Y72-C98 HydrophobicContact CG-CB 3.81Å; Y72-I102 HydrophobicContact CD1-CG2 3.91Å
73G98Very high96.2Very high0 Ų039 Ų390%020%0.204CC..THydrogen-bonded Turntrans70.3-163.7163.800000114.9T59 A61 F75 Q76T59-G73 VanDerWaalsContact O-CA 3.26Å; T59-G73 WeakPolarHBondContact O-CA 3.2Å; A61-G73 WeakPolarHBondContact O-CA 3.34Å; A61-G73 PolarHBondContact O-N 2.77Å; G73-F75 PolarHBondContact O-N 2.62Å; G73-F75 VanDerWaalsContact O-N 3.07Å; G73-Q76 PolarHBondContact O-N 3.12Å; G73-Q76 PolarHBondContact O-NE2 2.77Å
74I98.3Very high96.1Very high1 Ų142.6 Ų42.61%0.00521%0.212CC..THydrogen-bonded Turntrans-60.7-26.3-169.2-161.5170.8000114L27 A51 S55 L106L27-I74 HydrophobicContact CD1-CD1 3.72Å; L27-I74 HydrophobicContact CD2-CD1 3.8Å; L27-I74 HydrophobicContact CG-CD1 4.44Å; A51-I74 HydrophobicContact CB-CD1 4.5Å; A51-I74 HydrophobicContact CB-CG1 4.12Å; S55-I74 WeakPolarHBondContact OG-CA 3.4Å; S55-I74 PolarHBondContact OG-O 3.15Å; I74-L106 HydrophobicContact CB-CD2 4.48Å; I74-L106 HydrophobicContact CD1-CD1 4.18Å; I74-L106 HydrophobicContact CG2-CD2 3.88Å
75F98.8Very high95.8Very high1 Ų139.4 Ų39.40%0.00419%0.191CC..THydrogen-bonded Turntrans-106.78.2179.8-58.1-52.2000113.3F31 M50 A51 G73 I77 A109 I110 A113 W126F31-F75 HydrophobicContact CE1-CE1 4.12Å; F31-F75 AromaticContact CE1-CZ 3.6Å; F31-F75 HydrophobicContact CE1-CZ 3.6Å; F31-F75 HydrophobicContact CE2-CE1 4.04Å; F31-F75 HydrophobicContact CE2-CZ 4.3Å; F31-F75 AromaticContact CZ-CE1 3.43Å; F31-F75 HydrophobicContact CZ-CE1 3.43Å; F31-F75 VanDerWaalsContact CZ-CE1 3.43Å; F31-F75 AromaticContact CZ-CZ 3.41Å; F31-F75 HydrophobicContact CZ-CZ 3.41Å; F31-F75 VanDerWaalsContact CZ-CZ 3.41Å; M50-F75 HydrophobicContact CE-CD1 3.34Å; M50-F75 HydrophobicContact CE-CE1 3.74Å; M50-F75 HydrophobicContact CE-CG 4.2Å; M50-F75 HydrophobicContact SD-CB 4.43Å; M50-F75 HydrophobicContact SD-CD1 3.65Å; M50-F75 HydrophobicContact SD-CE1 4.42Å; M50-F75 HydrophobicContact SD-CG 4.48Å; A51-F75 HydrophobicContact CB-CD1 4.26Å; A51-F75 HydrophobicContact CB-CE1 4.14Å; G73-F75 PolarHBondContact O-N 2.62Å; G73-F75 VanDerWaalsContact O-N 3.07Å; F75-I77 HydrophobicContact CB-CD1 4.04Å; F75-I77 HydrophobicContact CB-CG1 3.91Å; F75-I77 HydrophobicContact CD2-CD1 4.39Å; F75-I77 PolarHBondContact O-N 3.27Å; F75-A109 HydrophobicContact CD2-CB 3.85Å; F75-A109 WeakPolarHBondContact CD2-O 3.47Å; F75-A109 HydrophobicContact CE2-CB 4.05Å; F75-I110 HydrophobicContact CE2-CB 4.43Å; F75-I110 HydrophobicContact CE2-CG1 3.76Å; F75-I110 HydrophobicContact CZ-CG1 3.99Å; F75-A113 HydrophobicContact CB-CB 4.49Å; F75-A113 HydrophobicContact CD2-CB 3.71Å; F75-A113 HydrophobicContact CE2-CB 3.99Å; F75-A113 HydrophobicContact CG-CB 4.05Å; F75-W126 PolarHBondContact O-NE1 2.71Å
76Q98.7Very high95Very high12 Ų1241.9 Ų41.96%0.05622%0.221CC..THydrogen-bonded Turntrans46.556.7179.3-67.1-63.6-80.700112.5E54 A61 N63 D71 Y72 G73 Y125E54-Q76 HydrophobicContact CB-CB 4.19Å; E54-Q76 HydrophobicContact CB-CG 3.8Å; E54-Q76 WeakPolarHBondContact O-CG 3.39Å; A61-Q76 PolarHBondContact O-NE2 3.34Å; N63-Q76 VanDerWaalsContact CB-OE1 3.28Å; D71-Q76 HydrophobicContact CB-CB 3.92Å; Y72-Q76 WeakPolarHBondContact O-CA 3.39Å; Y72-Q76 PolarHBondContact O-N 2.95Å; G73-Q76 PolarHBondContact O-N 3.12Å; G73-Q76 PolarHBondContact O-NE2 2.77Å; Q76-Y125 PolarHBondContact O-OH 3.43Å; Q76-Y125 VanDerWaalsContact O-OH 3.1Å
77I98.6Very high94Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-83.6121.9-175.9-66.9171000109.4Y72 F75 W82 L101 C112 I116Y72-I77 PolarHBondContact N-O 3.03Å; Y72-I77 PolarHBondContact O-N 3.23Å; F75-I77 HydrophobicContact CB-CD1 4.04Å; F75-I77 HydrophobicContact CB-CG1 3.91Å; F75-I77 HydrophobicContact CD2-CD1 4.39Å; F75-I77 PolarHBondContact O-N 3.27Å; I77-W82 HydrophobicContact CG2-CB 3.4Å; I77-W82 VanDerWaalsContact CG2-CB 3.4Å; I77-W82 HydrophobicContact CG2-CG 4.22Å; I77-L101 HydrophobicContact CB-CD1 3.77Å; I77-L101 HydrophobicContact CD1-CD1 4.1Å; I77-L101 HydrophobicContact CG2-CD1 3.61Å; I77-C112 HydrophobicContact CD1-CB 3.89Å; I77-I116 HydrophobicContact CG1-CD1 4.05Å; I77-I116 HydrophobicContact CG2-CD1 4.32Å
78N97.3Very high92.6Very high15 Ų1542.7 Ų42.78%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-80.1133.6-169.1-174.5-88.7000113.1L65 S69 D71 F80 W82 Y125L65-N78 WeakPolarHBondContact CD1-ND2 3.26Å; S69-N78 PolarHBondContact OG-ND2 2.81Å; D71-N78 VanDerWaalsContact OD1-CA 3.28Å; D71-N78 WeakPolarHBondContact OD1-CA 3.39Å; D71-N78 WeakPolarHBondContact OD1-CB 3.28Å; D71-N78 PolarHBondContact OD1-ND2 3.48Å; N78-F80 PolarHBondContact O-N 3.31Å; N78-F80 WeakPolarHBondContact OD1-CA 3.35Å; N78-F80 WeakPolarHBondContact OD1-CB 3.49Å; N78-F80 PolarHBondContact OD1-N 2.93Å; N78-W82 PolarHBondContact O-N 3.47Å; N78-Y125 VanDerWaalsContact CB-OH 3.26Å; N78-Y125 WeakPolarHBondContact CB-OH 3.43Å; N78-Y125 PolarHBondContact N-OH 3.1Å
79S96.1Very high91.7Very high0 Ų050.2 Ų50.20%024%0.241CC..THydrogen-bonded Turntrans-74.6-15.3179.449.50000115.8T70 Q90 C98T70-S79 PolarHBondContact N-OG 3.48Å; T70-S79 WeakPolarHBondContact O-CB 3.33Å; T70-S79 PolarHBondContact O-N 2.96Å; T70-S79 PolarHBondContact O-OG 3.28Å; S79-Q90 WeakPolarHBondContact O-CB 3.46Å; S79-Q90 WeakPolarHBondContact O-CG 3.37Å; S79-Q90 PolarHBondContact O-NE2 2.98Å; S79-C98 VanDerWaalsContact CB-SG 3.55Å
80F94.5Very high90.9Very high111 Ų11151.6 Ų51.649%0.48725%0.246SC..THydrogen-bonded Turntrans-65.6-41.9172.5-175.8-105.7000111N78 K91N78-F80 PolarHBondContact O-N 3.31Å; N78-F80 WeakPolarHBondContact OD1-CA 3.35Å; N78-F80 WeakPolarHBondContact OD1-CB 3.49Å; N78-F80 PolarHBondContact OD1-N 2.93Å; F80-K91 PolarHBondContact O-N 3.36Å
81T95.8Very high90.6Very high31 Ų3157.4 Ų57.419%0.1927%0.271CS..THydrogen-bonded Turntrans-110.6-48.7-171.9-56.70000113.4K91 N92 H93T81-K91 HydrophobicContact CG2-CD 4.47Å; T81-N92 PolarHBondContact O-N 3.35Å; T81-N92 VanDerWaalsContact O-N 3.1Å; T81-H93 PolarHBondContact O-CD2 3.28Å; T81-H93 VanDerWaalsContact O-CD2 3.22Å; T81-H93 PolarHBondContact O-N 3.17Å
82W98.1Very high90.5Very high13 Ų1357 Ų575%0.04927%0.269CS..THydrogen-bonded Turntrans-99.2-38.1-157.4-65.6112.1000114.3I77 N78 N92 H93 C94 K115 I116 E119 T120 Y125I77-W82 HydrophobicContact CG2-CB 3.4Å; I77-W82 VanDerWaalsContact CG2-CB 3.4Å; I77-W82 HydrophobicContact CG2-CG 4.22Å; N78-W82 PolarHBondContact O-N 3.47Å; W82-N92 CarbonylContact O-C 3.51Å; W82-N92 PolarHBondContact O-OD1 3.21Å; W82-H93 HydrophobicContact CE3-CB 3.57Å; W82-H93 HydrophobicContact CZ3-CB 3.74Å; W82-H93 PolarHBondContact O-N 3.22Å; W82-C94 WeakPolarHBondContact O-CB 3.34Å; W82-C94 PolarHBondContact O-N 2.74Å; W82-K115 HydrophobicContact CZ3-CG 4.46Å; W82-I116 HydrophobicContact CB-CD1 4.5Å; W82-I116 HydrophobicContact CD2-CD1 3.89Å; W82-I116 HydrophobicContact CD2-CG1 3.49Å; W82-I116 VanDerWaalsContact CD2-CG1 3.49Å; W82-I116 HydrophobicContact CE3-CD1 4.43Å; W82-I116 HydrophobicContact CE3-CG1 3.65Å; W82-I116 HydrophobicContact CG-CD1 3.87Å; W82-I116 HydrophobicContact CG-CG1 4.04Å; W82-I116 HydrophobicContact CH2-CB 4.35Å; W82-I116 HydrophobicContact CH2-CG1 3.96Å; W82-I116 HydrophobicContact CZ2-CB 4.23Å; W82-I116 HydrophobicContact CZ2-CG1 3.79Å; W82-I116 HydrophobicContact CZ2-CG2 4.08Å; W82-I116 HydrophobicContact CZ3-CG1 3.89Å; W82-E119 HydrophobicContact CH2-CB 4Å; W82-T120 HydrophobicContact CH2-CG2 4.49Å; W82-T120 HydrophobicContact CZ2-CG2 4.03Å; W82-Y125 AromaticContact CD1-CE2 3.64Å; W82-Y125 AromaticContact CD1-CZ 3.81Å; W82-Y125 AromaticContact NE1-CD2 3.69Å; W82-Y125 AromaticContact NE1-CE2 3.21Å; W82-Y125 AromaticContact NE1-CZ 3.79Å
83C97.5Very high90.5Very high0 Ų059.2 Ų59.20%028%0.28CS..  trans-123.9165.6179.3690000111.8N92 V96 C98 L101C83-N92 WeakPolarHBondContact CA-OD1 3.2Å; C83-V96 HydrophobicContact CB-CG1 3.86Å; C83-C98 HydrophobicContact CB-CB 3.99Å; C83-C98 WeakPolarHBondContact CB-SG 3.5Å; C83-C98 VanDerWaalsContact SG-CA 3.55Å; C83-C98 WeakPolarHBondContact SG-CB 3.35Å; C83-C98 CovalentContact SG-SG 2.05Å; C83-C98 PolarHBondContact SG-SG 3.14Å; C83-L101 HydrophobicContact CB-CD1 3.61Å
84R94.6Very high90.5Very high152 Ų15260.3 Ų60.357%0.57429%0.287SS*.BIsolated β-bridgetrans-108.2124.4175.5-176.3173.260.8177.6-0.9112.3N92 V96 A97 C98R84-N92 HydrophobicContact CB-CB 3.96Å; R84-N92 PolarHBondContact N-OD1 3.3Å; R84-V96 PolarHBondContact N-O 3.29Å; R84-A97 CarbonylContact O-C 3.49Å; R84-A97 VanDerWaalsContact O-CA 3.32Å; R84-A97 WeakPolarHBondContact O-CA 3.41Å; R84-C98 PolarHBondContact N-SG 3.16Å; R84-C98 PolarHBondContact O-N 3.07Å
85N88.2Confident90.4Very high32 Ų3267.7 Ų67.717%0.17132%0.321CS..  trans-101.8-170.7162.174.319.9000110.5Y72 R87 Q90 C98Y72-N85 PolarHBondContact OH-ND2 3.04Å; N85-R87 PolarHBondContact O-N 3.08Å; N85-R87 VanDerWaalsContact O-N 3.12Å; N85-R87 VanDerWaalsContact OD1-CB 3.31Å; N85-R87 WeakPolarHBondContact OD1-CB 3.11Å; N85-R87 WeakPolarHBondContact OD1-CG 3.24Å; N85-R87 PolarHBondContact OD1-N 3.11Å; N85-Q90 PolarHBondContact ND2-NE2 3.29Å; N85-Q90 PolarHBondContact O-OE1 3.07Å; N85-Q90 PolarHBondContact OD1-NE2 2.98Å; N85-Q90 PolarHBondContact OD1-OE1 2.82Å; N85-C98 HydrophobicContact CB-CB 4.27Å
86A78.5Confident90.3Very high112 Ų11268.4 Ų68.493%0.92633%0.326SS*.SBendtrans-67.7-6.5-175.900000115.1
87R72.7Confident90.2Very high148 Ų14869.8 Ų69.856%0.55834%0.339SS*.SBendtrans-81.8145.5-176.7-59.2-169-175.2179.89.2111.6G68 N85G68-R87 PolarHBondContact O-NH1 2.75Å; N85-R87 PolarHBondContact O-N 3.08Å; N85-R87 VanDerWaalsContact O-N 3.12Å; N85-R87 VanDerWaalsContact OD1-CB 3.31Å; N85-R87 WeakPolarHBondContact OD1-CB 3.11Å; N85-R87 WeakPolarHBondContact OD1-CG 3.24Å; N85-R87 PolarHBondContact OD1-N 3.11Å
88K62.4Low90.1Very high184 Ų18469.8 Ų69.880%0.834%0.339SS*.SBendtrans-73145.7175.9-64.7-178179.5178.60109.8
89H72.1Confident90Very high180 Ų18073 Ų7383%0.83336%0.363SS*.  trans85.628.7172.7-47.7-73.6000119.2
90Q76.1Confident90Very high37 Ų3774.1 Ų74.117%0.17337%0.372CS..  trans-92.1139.7174.2-66.2170.8-29.300112S79 N85S79-Q90 WeakPolarHBondContact O-CB 3.46Å; S79-Q90 WeakPolarHBondContact O-CG 3.37Å; S79-Q90 PolarHBondContact O-NE2 2.98Å; N85-Q90 PolarHBondContact ND2-NE2 3.29Å; N85-Q90 PolarHBondContact O-OE1 3.07Å; N85-Q90 PolarHBondContact OD1-NE2 2.98Å; N85-Q90 PolarHBondContact OD1-OE1 2.82Å
91K91.4Very high90.1Very high129 Ų12968.9 Ų68.956%0.56135%0.349SS*.  trans-70-34.2-177.8-60.2-179.1-176.9174.80112.5F80 T81 H93F80-K91 PolarHBondContact O-N 3.36Å; T81-K91 HydrophobicContact CG2-CD 4.47Å; K91-H93 VanDerWaalsContact CB-CD2 3.41Å; K91-H93 WeakPolarHBondContact CB-CD2 3.42Å; K91-H93 WeakPolarHBondContact CD-NE2 3.33Å; K91-H93 PolarHBondContact O-N 2.84Å
92N95.5Very high90.2Very high17 Ų1768.8 Ų68.89%0.09135%0.347CS..  trans51.550.7177-169.424.6000113.5T81 W82 C83 R84 C94 H95 V96T81-N92 PolarHBondContact O-N 3.35Å; T81-N92 VanDerWaalsContact O-N 3.1Å; W82-N92 CarbonylContact O-C 3.51Å; W82-N92 PolarHBondContact O-OD1 3.21Å; C83-N92 WeakPolarHBondContact CA-OD1 3.2Å; R84-N92 HydrophobicContact CB-CB 3.96Å; R84-N92 PolarHBondContact N-OD1 3.3Å; N92-C94 PolarHBondContact O-N 2.93Å; N92-C94 VanDerWaalsContact O-N 3.14Å; N92-H95 PolarHBondContact O-N 2.95Å; N92-H95 PolarHBondContact OD1-N 3.4Å; N92-V96 PolarHBondContact OD1-N 3.3Å; N92-V96 PolarHBondContact OD1-O 2.97Å
93H97.5Very high90Very high68 Ų6870.2 Ų70.232%0.31536%0.357SS..THydrogen-bonded Turntrans-54.8-35.9-176.6-80.9-116.5000112.5T81 W82 K91 H95 K115 E119T81-H93 PolarHBondContact O-CD2 3.28Å; T81-H93 VanDerWaalsContact O-CD2 3.22Å; T81-H93 PolarHBondContact O-N 3.17Å; W82-H93 HydrophobicContact CE3-CB 3.57Å; W82-H93 HydrophobicContact CZ3-CB 3.74Å; W82-H93 PolarHBondContact O-N 3.22Å; K91-H93 VanDerWaalsContact CB-CD2 3.41Å; K91-H93 WeakPolarHBondContact CB-CD2 3.42Å; K91-H93 WeakPolarHBondContact CD-NE2 3.33Å; K91-H93 PolarHBondContact O-N 2.84Å; H93-H95 VanDerWaalsContact C-N 3.25Å; H93-H95 PolarHBondContact O-CE1 3.19Å; H93-H95 PolarHBondContact O-N 3.32Å; H93-H95 PolarHBondContact O-ND1 2.85Å; H93-K115 WeakPolarHBondContact O-CE 3.21Å; H93-K115 PolarHBondContact O-NZ 3.43Å; H93-E119 IonicContact ND1-OE2 3.44Å; H93-E119 PolarHBondContact ND1-OE2 3.32Å
94C98.2Very high89.8Confident23 Ų2373.1 Ų73.116%0.15537%0.373CS..THydrogen-bonded Turntrans-78.4-4.7178.9-64.70000114.2W82 N92 V96 C112W82-C94 WeakPolarHBondContact O-CB 3.34Å; W82-C94 PolarHBondContact O-N 2.74Å; N92-C94 PolarHBondContact O-N 2.93Å; N92-C94 VanDerWaalsContact O-N 3.14Å; C94-V96 VanDerWaalsContact C-N 3.29Å; C94-V96 HydrophobicContact CB-CB 4.48Å; C94-V96 HydrophobicContact CB-CG1 3.7Å; C94-V96 PolarHBondContact O-N 3.19Å; C94-C112 HydrophobicContact CB-CB 3.69Å; C94-C112 WeakPolarHBondContact CB-SG 3.48Å; C94-C112 WeakPolarHBondContact SG-CA 3.33Å; C94-C112 WeakPolarHBondContact SG-CB 2.91Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 3.11Å
95H96.3Very high89.8Confident156 Ų15670.7 Ų70.772%0.72237%0.371SS*.  trans55.640.4-178-51.6109000113.5N92 H93N92-H95 PolarHBondContact O-N 2.95Å; N92-H95 PolarHBondContact OD1-N 3.4Å; H93-H95 VanDerWaalsContact C-N 3.25Å; H93-H95 PolarHBondContact O-CE1 3.19Å; H93-H95 PolarHBondContact O-N 3.32Å; H93-H95 PolarHBondContact O-ND1 2.85Å
96V96.8Very high90.2Very high16 Ų1669.4 Ų69.410%0.09737%0.365CS..  trans-133146.6-171.670.30000111.4C83 R84 N92 C94 A100 L101 D108C83-V96 HydrophobicContact CB-CG1 3.86Å; R84-V96 PolarHBondContact N-O 3.29Å; N92-V96 PolarHBondContact OD1-N 3.3Å; N92-V96 PolarHBondContact OD1-O 2.97Å; C94-V96 VanDerWaalsContact C-N 3.29Å; C94-V96 HydrophobicContact CB-CB 4.48Å; C94-V96 HydrophobicContact CB-CG1 3.7Å; C94-V96 PolarHBondContact O-N 3.19Å; V96-A100 HydrophobicContact CG2-CB 3.8Å; V96-L101 HydrophobicContact CG1-CD1 4.27Å; V96-L101 HydrophobicContact CG1-CD2 4.01Å; V96-L101 HydrophobicContact CG1-CG 4.33Å; V96-L101 HydrophobicContact CG2-CD2 4.13Å; V96-D108 HydrophobicContact CG2-CB 4.09Å
97A96Very high91.2Very high41 Ų4167.7 Ų67.734%0.33934%0.342SS..BIsolated β-bridgetrans-72.5136169.100000109.6R84 S99 A100R84-A97 CarbonylContact O-C 3.49Å; R84-A97 VanDerWaalsContact O-CA 3.32Å; R84-A97 WeakPolarHBondContact O-CA 3.41Å; A97-S99 PolarHBondContact O-N 3.31Å; A97-S99 VanDerWaalsContact O-N 3.14Å; A97-A100 WeakPolarHBondContact O-CB 3.41Å; A97-A100 PolarHBondContact O-N 3.08Å
98C96.5Very high92.4Very high1 Ų164.1 Ų64.11%0.00734%0.335CS..G310 helixtrans-58.8-29177.2-600000112.1Y72 S79 C83 R84 N85 A100 L101Y72-C98 HydrophobicContact CD1-CB 4Å; Y72-C98 HydrophobicContact CD2-CB 3.63Å; Y72-C98 HydrophobicContact CE1-CB 4.03Å; Y72-C98 HydrophobicContact CE2-CB 3.63Å; Y72-C98 HydrophobicContact CG-CB 3.81Å; S79-C98 VanDerWaalsContact CB-SG 3.55Å; C83-C98 HydrophobicContact CB-CB 3.99Å; C83-C98 WeakPolarHBondContact CB-SG 3.5Å; C83-C98 VanDerWaalsContact SG-CA 3.55Å; C83-C98 WeakPolarHBondContact SG-CB 3.35Å; C83-C98 CovalentContact SG-SG 2.05Å; C83-C98 PolarHBondContact SG-SG 3.14Å; R84-C98 PolarHBondContact N-SG 3.16Å; R84-C98 PolarHBondContact O-N 3.07Å; N85-C98 HydrophobicContact CB-CB 4.27Å; C98-A100 PolarHBondContact O-N 2.96Å; C98-L101 WeakPolarHBondContact O-CB 3.36Å; C98-L101 PolarHBondContact O-N 3.48Å
99S95.1Very high94.1Very high83 Ų8355.5 Ų55.558%0.5830%0.297SS*.G310 helixtrans-61.1-25.6173.358.70000113.9A97 L101 I102 T103A97-S99 PolarHBondContact O-N 3.31Å; A97-S99 VanDerWaalsContact O-N 3.14Å; S99-L101 VanDerWaalsContact C-N 3.26Å; S99-I102 WeakPolarHBondContact O-CG1 3.43Å; S99-T103 WeakPolarHBondContact O-CG2 3.39Å
100A96.1Very high95.4Very high22 Ų2247.3 Ų47.318%0.18226%0.26CS..G310 helixtrans-77.5-1517600000112.4V96 A97 C98 D108V96-A100 HydrophobicContact CG2-CB 3.8Å; A97-A100 WeakPolarHBondContact O-CB 3.41Å; A97-A100 PolarHBondContact O-N 3.08Å; C98-A100 PolarHBondContact O-N 2.96Å; A100-D108 HydrophobicContact CB-CB 4.43Å
101L97.6Very high96.5Very high2 Ų250.5 Ų50.51%0.0128%0.277CS..G310 helixtrans-88.5-12.1179.6-51.8-174.7000113.1I77 C83 V96 C98 S99 D108 A109I77-L101 HydrophobicContact CB-CD1 3.77Å; I77-L101 HydrophobicContact CD1-CD1 4.1Å; I77-L101 HydrophobicContact CG2-CD1 3.61Å; C83-L101 HydrophobicContact CB-CD1 3.61Å; V96-L101 HydrophobicContact CG1-CD1 4.27Å; V96-L101 HydrophobicContact CG1-CD2 4.01Å; V96-L101 HydrophobicContact CG1-CG 4.33Å; V96-L101 HydrophobicContact CG2-CD2 4.13Å; C98-L101 WeakPolarHBondContact O-CB 3.36Å; C98-L101 PolarHBondContact O-N 3.48Å; S99-L101 VanDerWaalsContact C-N 3.26Å; L101-D108 HydrophobicContact CD2-CB 4.06Å; L101-A109 HydrophobicContact CD2-CB 4.34Å
102I96.6Very high96.8Very high28 Ų2844.5 Ų44.514%0.14425%0.252CS..SBendtrans-108.442.4178.554.8168000112T59 E62 Y72 S99T59-I102 VanDerWaalsContact O-CA 3.28Å; T59-I102 WeakPolarHBondContact O-CA 3.35Å; E62-I102 HydrophobicContact CG-CG2 4.35Å; Y72-I102 HydrophobicContact CD1-CG2 3.91Å; S99-I102 WeakPolarHBondContact O-CG1 3.43Å
103T94.8Very high97Very high43 Ų4343.7 Ų43.726%0.26425%0.247SC..SBendtrans-119.1167178.385.30000111.3S99 D105S99-T103 WeakPolarHBondContact O-CG2 3.39Å; T103-D105 PolarHBondContact O-N 3.1Å; T103-D105 PolarHBondContact OG1-N 3.48Å; T103-D105 PolarHBondContact OG1-O 3.05Å
104D92.2Very high97Very high61 Ų6142.2 Ų42.233%0.32624%0.24SC..SBendtrans-67.8-24.5174.6-110.128.4000113.8K20 Y22 L106K20-D104 WeakPolarHBondContact CB-OD1 3.38Å; K20-D104 VanDerWaalsContact CD-CG 3.46Å; K20-D104 VanDerWaalsContact CD-OD1 3.24Å; K20-D104 WeakPolarHBondContact CD-OD1 3.02Å; K20-D104 WeakPolarHBondContact CD-OD2 3.07Å; K20-D104 IonicContact NZ-OD2 2.81Å; K20-D104 PolarHBondContact NZ-OD2 3.44Å; Y22-D104 PolarHBondContact OH-O 2.79Å; D104-L106 PolarHBondContact O-N 3.27Å
105D94.7Very high97.1Very high101 Ų10144 Ų4454%0.5425%0.245SC..  trans-84.1107171.9-173-10000109.5T103 T107T103-D105 PolarHBondContact O-N 3.1Å; T103-D105 PolarHBondContact OG1-N 3.48Å; T103-D105 PolarHBondContact OG1-O 3.05Å; D105-T107 PolarHBondContact O-N 3.36Å; D105-T107 WeakPolarHBondContact OD1-CB 3.33Å; D105-T107 PolarHBondContact OD1-N 3.35Å; D105-T107 PolarHBondContact OD1-OG1 3.25Å
106L97.4Very high97.2Very high6 Ų636.6 Ų36.63%0.03121%0.211CC..  trans-78.92.2-177.6-61.2-176.4000113.5Y22 L27 I30 F31 T59 I74 D104 D108 A109 I110Y22-L106 HydrophobicContact CE2-CD1 4.19Å; Y22-L106 HydrophobicContact CE2-CG 4.46Å; L27-L106 HydrophobicContact CD1-CD1 3.6Å; I30-L106 HydrophobicContact CG2-CD1 4.36Å; F31-L106 HydrophobicContact CE1-CD1 4.17Å; T59-L106 HydrophobicContact CG2-CD2 3.71Å; I74-L106 HydrophobicContact CB-CD2 4.48Å; I74-L106 HydrophobicContact CD1-CD1 4.18Å; I74-L106 HydrophobicContact CG2-CD2 3.88Å; D104-L106 PolarHBondContact O-N 3.27Å; L106-D108 PolarHBondContact O-N 3.14Å; L106-A109 PolarHBondContact O-N 3.03Å; L106-I110 HydrophobicContact CB-CD1 3.78Å; L106-I110 HydrophobicContact CB-CG1 4.14Å; L106-I110 WeakPolarHBondContact O-CB 3.22Å; L106-I110 WeakPolarHBondContact O-CG1 3.42Å; L106-I110 PolarHBondContact O-N 2.89Å
107T98.2Very high97.3Very high75 Ų7536 Ų3646%0.4621%0.207SC..Hα-helixtrans-56-53.5-172.8-61.60000112.1D105 A109 I110 L111D105-T107 PolarHBondContact O-N 3.36Å; D105-T107 WeakPolarHBondContact OD1-CB 3.33Å; D105-T107 PolarHBondContact OD1-N 3.35Å; D105-T107 PolarHBondContact OD1-OG1 3.25Å; T107-A109 PolarHBondContact O-N 3.06Å; T107-I110 PolarHBondContact O-N 3.31Å; T107-L111 HydrophobicContact CG2-CD1 4.12Å; T107-L111 WeakPolarHBondContact O-CG 3.27Å; T107-L111 PolarHBondContact O-N 2.9Å
108D98.4Very high97.4Very high74 Ų7441.5 Ų41.540%0.39622%0.223SC..Hα-helixtrans-65-40.8-179.9-76.5-33.1000112.3V96 A100 L101 L106 I110 L111 C112V96-D108 HydrophobicContact CG2-CB 4.09Å; A100-D108 HydrophobicContact CB-CB 4.43Å; L101-D108 HydrophobicContact CD2-CB 4.06Å; L106-D108 PolarHBondContact O-N 3.14Å; D108-I110 PolarHBondContact O-N 3.01Å; D108-L111 PolarHBondContact O-N 2.94Å; D108-C112 WeakPolarHBondContact O-CB 3.5Å; D108-C112 PolarHBondContact O-N 3.29Å
109A98.6Very high97.5Very high2 Ų245.7 Ų45.72%0.01724%0.243CC..Hα-helixtrans-61-44175.900000111.9F75 L101 L106 T107 C112 A113F75-A109 HydrophobicContact CD2-CB 3.85Å; F75-A109 WeakPolarHBondContact CD2-O 3.47Å; F75-A109 HydrophobicContact CE2-CB 4.05Å; L101-A109 HydrophobicContact CD2-CB 4.34Å; L106-A109 PolarHBondContact O-N 3.03Å; T107-A109 PolarHBondContact O-N 3.06Å; A109-C112 PolarHBondContact O-N 3.1Å; A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.01Å
110I98.9Very high97.6Very high9 Ų944.4 Ų44.45%0.04623%0.232CC..Hα-helixtrans-67.7-44.3179.2-71167.8000111I30 F31 A34 L36 F75 L106 T107 D108 C112 A113 K114I30-I110 HydrophobicContact CG2-CD1 4.22Å; F31-I110 HydrophobicContact CD1-CD1 4.16Å; F31-I110 HydrophobicContact CE1-CD1 4.29Å; F31-I110 HydrophobicContact CE1-CG1 4.39Å; A34-I110 HydrophobicContact CB-CD1 3.85Å; A34-I110 HydrophobicContact CB-CG2 4.03Å; L36-I110 HydrophobicContact CD1-CG1 4.32Å; L36-I110 HydrophobicContact CD1-CG2 4.11Å; L36-I110 HydrophobicContact CD2-CG2 4.07Å; L36-I110 HydrophobicContact CG-CG2 4.14Å; F75-I110 HydrophobicContact CE2-CB 4.43Å; F75-I110 HydrophobicContact CE2-CG1 3.76Å; F75-I110 HydrophobicContact CZ-CG1 3.99Å; L106-I110 HydrophobicContact CB-CD1 3.78Å; L106-I110 HydrophobicContact CB-CG1 4.14Å; L106-I110 WeakPolarHBondContact O-CB 3.22Å; L106-I110 WeakPolarHBondContact O-CG1 3.42Å; L106-I110 PolarHBondContact O-N 2.89Å; T107-I110 PolarHBondContact O-N 3.31Å; D108-I110 PolarHBondContact O-N 3.01Å; I110-C112 VanDerWaalsContact C-N 3.32Å; I110-C112 PolarHBondContact O-N 2.89Å; I110-A113 PolarHBondContact O-N 2.99Å; I110-K114 HydrophobicContact CG2-CD 4.45Å; I110-K114 WeakPolarHBondContact O-CB 3.21Å; I110-K114 WeakPolarHBondContact O-CG 3.32Å; I110-K114 PolarHBondContact O-N 2.91Å
111L98.8Very high97.6Very high103 Ų10352.2 Ų52.254%0.53926%0.264SS..Hα-helixtrans-61.7-42.7177.6-72.5174.7000111.3T107 D108 K115T107-L111 HydrophobicContact CG2-CD1 4.12Å; T107-L111 WeakPolarHBondContact O-CG 3.27Å; T107-L111 PolarHBondContact O-N 2.9Å; D108-L111 PolarHBondContact O-N 2.94Å; L111-K115 PolarHBondContact O-N 2.97Å; L111-K115 VanDerWaalsContact O-N 3.1Å
112C98.8Very high97.6Very high3 Ų352.4 Ų52.42%0.0227%0.267CS..Hα-helixtrans-67-44.9176.6-172.60000111.6I77 C94 D108 A109 I110 K114 K115 I116I77-C112 HydrophobicContact CD1-CB 3.89Å; C94-C112 HydrophobicContact CB-CB 3.69Å; C94-C112 WeakPolarHBondContact CB-SG 3.48Å; C94-C112 WeakPolarHBondContact SG-CA 3.33Å; C94-C112 WeakPolarHBondContact SG-CB 2.91Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 3.11Å; D108-C112 WeakPolarHBondContact O-CB 3.5Å; D108-C112 PolarHBondContact O-N 3.29Å; A109-C112 PolarHBondContact O-N 3.1Å; I110-C112 VanDerWaalsContact C-N 3.32Å; I110-C112 PolarHBondContact O-N 2.89Å; C112-K114 VanDerWaalsContact C-N 3.33Å; C112-K114 PolarHBondContact O-N 2.87Å; C112-K115 WeakPolarHBondContact O-CA 3.07Å; C112-K115 WeakPolarHBondContact O-CB 3.42Å; C112-K115 PolarHBondContact O-N 3.38Å; C112-I116 WeakPolarHBondContact O-CG1 3Å; C112-I116 PolarHBondContact O-N 2.76Å
113A98.9Very high97.7Very high0 Ų051.1 Ų51.10%026%0.26CS..Hα-helixtrans-60.6-39.2176.700000112.8W47 F75 A109 I110 K115 I116 V117 W126W47-A113 HydrophobicContact CZ3-CB 4.03Å; F75-A113 HydrophobicContact CB-CB 4.49Å; F75-A113 HydrophobicContact CD2-CB 3.71Å; F75-A113 HydrophobicContact CE2-CB 3.99Å; F75-A113 HydrophobicContact CG-CB 4.05Å; A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.01Å; I110-A113 PolarHBondContact O-N 2.99Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 2.89Å; A113-I116 WeakPolarHBondContact O-CB 3.36Å; A113-I116 PolarHBondContact O-N 3.09Å; A113-V117 PolarHBondContact O-N 3.06Å; A113-W126 HydrophobicContact CB-CH2 4.26Å; A113-W126 HydrophobicContact CB-CZ2 3.99Å
114K98.9Very high97.8Very high37 Ų3752.8 Ų52.816%0.16127%0.267CS..Hα-helixtrans-58.7-45.3171.3-80.4-175.4170.3-175.10112A34 G35 L36 Y39 I110 C112 V117 K118A34-K114 PolarHBondContact O-NZ 3.36Å; G35-K114 WeakPolarHBondContact O-CE 3.24Å; G35-K114 PolarHBondContact O-NZ 3.38Å; L36-K114 HydrophobicContact CD2-CD 4.16Å; L36-K114 HydrophobicContact CD2-CG 3.68Å; Y39-K114 HydrophobicContact CD1-CB 4.41Å; Y39-K114 HydrophobicContact CD1-CG 3.93Å; Y39-K114 HydrophobicContact CD2-CD 4.02Å; Y39-K114 HydrophobicContact CD2-CG 4.23Å; Y39-K114 HydrophobicContact CE1-CB 3.68Å; Y39-K114 HydrophobicContact CE1-CD 4.42Å; Y39-K114 HydrophobicContact CE1-CG 3.69Å; Y39-K114 WeakPolarHBondContact CE1-O 3.48Å; Y39-K114 HydrophobicContact CE2-CB 4.27Å; Y39-K114 HydrophobicContact CE2-CD 3.81Å; Y39-K114 HydrophobicContact CE2-CG 4.01Å; Y39-K114 HydrophobicContact CG-CD 4.41Å; Y39-K114 HydrophobicContact CG-CG 4.19Å; Y39-K114 PolarHBondContact OH-O 3.36Å; I110-K114 HydrophobicContact CG2-CD 4.45Å; I110-K114 WeakPolarHBondContact O-CB 3.21Å; I110-K114 WeakPolarHBondContact O-CG 3.32Å; I110-K114 PolarHBondContact O-N 2.91Å; C112-K114 VanDerWaalsContact C-N 3.33Å; C112-K114 PolarHBondContact O-N 2.87Å; K114-V117 PolarHBondContact O-N 3.45Å; K114-K118 PolarHBondContact O-N 3.31Å
115K98.8Very high98.1Very high61 Ų6152.6 Ų52.627%0.26526%0.263SS..Hα-helixtrans-62.5-42.5177.3-174.6-175.4166.387.60111.7W82 H93 L111 C112 A113 K118 E119W82-K115 HydrophobicContact CZ3-CG 4.46Å; H93-K115 WeakPolarHBondContact O-CE 3.21Å; H93-K115 PolarHBondContact O-NZ 3.43Å; L111-K115 PolarHBondContact O-N 2.97Å; L111-K115 VanDerWaalsContact O-N 3.1Å; C112-K115 WeakPolarHBondContact O-CA 3.07Å; C112-K115 WeakPolarHBondContact O-CB 3.42Å; C112-K115 PolarHBondContact O-N 3.38Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 2.89Å; K115-K118 PolarHBondContact O-N 3.4Å; K115-E119 WeakPolarHBondContact CE-OE1 3.4Å; K115-E119 HydrophobicContact CG-CG 4.41Å; K115-E119 IonicContact NZ-OE1 2.67Å; K115-E119 PolarHBondContact NZ-OE1 2.95Å; K115-E119 WeakPolarHBondContact O-CB 3.02Å; K115-E119 PolarHBondContact O-N 2.91Å
116I98.8Very high98.3Very high0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-55.6-55.3174.1-64.5174.2000109.6I77 W82 C112 A113 K118 E119 T120 Y125 W126I77-I116 HydrophobicContact CG1-CD1 4.05Å; I77-I116 HydrophobicContact CG2-CD1 4.32Å; W82-I116 HydrophobicContact CB-CD1 4.5Å; W82-I116 HydrophobicContact CD2-CD1 3.89Å; W82-I116 HydrophobicContact CD2-CG1 3.49Å; W82-I116 VanDerWaalsContact CD2-CG1 3.49Å; W82-I116 HydrophobicContact CE3-CD1 4.43Å; W82-I116 HydrophobicContact CE3-CG1 3.65Å; W82-I116 HydrophobicContact CG-CD1 3.87Å; W82-I116 HydrophobicContact CG-CG1 4.04Å; W82-I116 HydrophobicContact CH2-CB 4.35Å; W82-I116 HydrophobicContact CH2-CG1 3.96Å; W82-I116 HydrophobicContact CZ2-CB 4.23Å; W82-I116 HydrophobicContact CZ2-CG1 3.79Å; W82-I116 HydrophobicContact CZ2-CG2 4.08Å; W82-I116 HydrophobicContact CZ3-CG1 3.89Å; C112-I116 WeakPolarHBondContact O-CG1 3Å; C112-I116 PolarHBondContact O-N 2.76Å; A113-I116 WeakPolarHBondContact O-CB 3.36Å; A113-I116 PolarHBondContact O-N 3.09Å; I116-K118 VanDerWaalsContact C-N 3.25Å; I116-K118 PolarHBondContact O-N 2.83Å; I116-E119 PolarHBondContact O-N 2.89Å; I116-E119 VanDerWaalsContact O-N 3.1Å; I116-T120 HydrophobicContact CG2-CG2 4.17Å; I116-T120 PolarHBondContact O-N 3.47Å; I116-T120 PolarHBondContact O-OG1 2.03Å; I116-Y125 HydrophobicContact CD1-CD1 4.3Å; I116-Y125 HydrophobicContact CD1-CE1 4.02Å; I116-Y125 HydrophobicContact CG2-CD1 3.72Å; I116-Y125 HydrophobicContact CG2-CD2 4.23Å; I116-Y125 HydrophobicContact CG2-CE1 4.46Å; I116-Y125 HydrophobicContact CG2-CG 3.6Å; I116-W126 HydrophobicContact CB-CH2 3.77Å; I116-W126 HydrophobicContact CB-CZ2 4.21Å; I116-W126 HydrophobicContact CD1-CZ2 4.08Å; I116-W126 HydrophobicContact CG2-CH2 3.57Å; I116-W126 HydrophobicContact CG2-CZ2 4.03Å; I116-W126 HydrophobicContact CG2-CZ3 4Å
117V98.7Very high98.3Very high4 Ų453.2 Ų53.22%0.02426%0.262CS..Hα-helixtrans-53.8-43.11791680000112.2Y39 F42 W47 A113 K114 Q121 G122 M123 W126Y39-V117 HydrophobicContact CD1-CG1 4.34Å; Y39-V117 HydrophobicContact CE1-CB 4.28Å; Y39-V117 HydrophobicContact CE1-CG1 4.23Å; F42-V117 HydrophobicContact CD2-CG1 4.22Å; F42-V117 HydrophobicContact CE2-CG1 4.12Å; W47-V117 HydrophobicContact CH2-CB 4.31Å; W47-V117 HydrophobicContact CH2-CG2 3.48Å; W47-V117 VanDerWaalsContact CH2-CG2 3.48Å; W47-V117 HydrophobicContact CZ2-CG2 4.05Å; W47-V117 HydrophobicContact CZ3-CG2 4.26Å; A113-V117 PolarHBondContact O-N 3.06Å; K114-V117 PolarHBondContact O-N 3.45Å; V117-Q121 WeakPolarHBondContact O-CA 3.09Å; V117-Q121 PolarHBondContact O-N 3.26Å; V117-G122 PolarHBondContact O-N 3.2Å; V117-M123 HydrophobicContact CG2-CG 3.97Å; V117-W126 HydrophobicContact CG2-CH2 3.8Å; V117-W126 HydrophobicContact CG2-CZ3 3.54Å
118K98.4Very high98.3Very high156 Ų15650.2 Ų50.268%0.67825%0.246SC*.Hα-helixtrans-65-46.1179-176.7-179.4177.4-1780112.1K114 K115 I116K114-K118 PolarHBondContact O-N 3.31Å; K115-K118 PolarHBondContact O-N 3.4Å; I116-K118 VanDerWaalsContact C-N 3.25Å; I116-K118 PolarHBondContact O-N 2.83Å
119E98.3Very high98.4Very high90 Ų9047.2 Ų47.242%0.42123%0.229SC..Hα-helixtrans-80-30.4-174.6-72.2-174.6-16500113.1W82 H93 K115 I116W82-E119 HydrophobicContact CH2-CB 4Å; H93-E119 IonicContact ND1-OE2 3.44Å; H93-E119 PolarHBondContact ND1-OE2 3.32Å; K115-E119 WeakPolarHBondContact CE-OE1 3.4Å; K115-E119 HydrophobicContact CG-CG 4.41Å; K115-E119 IonicContact NZ-OE1 2.67Å; K115-E119 PolarHBondContact NZ-OE1 2.95Å; K115-E119 WeakPolarHBondContact O-CB 3.02Å; K115-E119 PolarHBondContact O-N 2.91Å; I116-E119 PolarHBondContact O-N 2.89Å; I116-E119 VanDerWaalsContact O-N 3.1Å
120T97.3Very high98.3Very high55 Ų5551.5 Ų51.534%0.33725%0.248SC..THydrogen-bonded Turntrans-93.44.8175.565.60000113.2W82 I116 G122W82-T120 HydrophobicContact CH2-CG2 4.49Å; W82-T120 HydrophobicContact CZ2-CG2 4.03Å; I116-T120 HydrophobicContact CG2-CG2 4.17Å; I116-T120 PolarHBondContact O-N 3.47Å; I116-T120 PolarHBondContact O-OG1 2.03Å; T120-G122 VanDerWaalsContact C-N 3.27Å; T120-G122 PolarHBondContact O-N 2.92Å; T120-G122 PolarHBondContact OG1-O 3.14Å
121Q97Very high98.3Very high187 Ų18759.3 Ų59.387%0.87428%0.281SS*.THydrogen-bonded Turntrans52.641.3179.1-58.1-178.1-4300113.5V117V117-Q121 WeakPolarHBondContact O-CA 3.09Å; V117-Q121 PolarHBondContact O-N 3.26Å
122G97.8Very high98.3Very high6 Ų656.2 Ų56.26%0.06227%0.265CS..SBendtrans145.8-169.8-179.400000113.9V117 T120V117-G122 PolarHBondContact O-N 3.2Å; T120-G122 VanDerWaalsContact C-N 3.27Å; T120-G122 PolarHBondContact O-N 2.92Å; T120-G122 PolarHBondContact OG1-O 3.14Å
123M98.4Very high98.3Very high1 Ų156.1 Ų56.11%0.00526%0.264CS..SBendtrans-97.410.5-176.6-64.7-173.777.600114.3F42 N46 W47 M50 V117 Y125 W126 W129F42-M123 HydrophobicContact CB-SD 4Å; F42-M123 HydrophobicContact CD1-CG 3.93Å; F42-M123 HydrophobicContact CD1-SD 3.52Å; F42-M123 VanDerWaalsContact CD1-SD 3.52Å; F42-M123 HydrophobicContact CD2-CG 3.94Å; F42-M123 HydrophobicContact CD2-SD 4.1Å; F42-M123 HydrophobicContact CE1-CB 4.2Å; F42-M123 HydrophobicContact CE1-CG 3.83Å; F42-M123 HydrophobicContact CE1-SD 4Å; F42-M123 HydrophobicContact CE2-CG 3.86Å; F42-M123 HydrophobicContact CG-CG 3.98Å; F42-M123 HydrophobicContact CG-SD 3.58Å; F42-M123 VanDerWaalsContact CG-SD 3.58Å; F42-M123 HydrophobicContact CZ-CB 4.23Å; F42-M123 HydrophobicContact CZ-CG 3.81Å; F42-M123 HydrophobicContact CZ-SD 4.5Å; N46-M123 HydrophobicContact CB-CE 4.44Å; N46-M123 HydrophobicContact CB-SD 3.77Å; W47-M123 HydrophobicContact CD2-CE 4.4Å; W47-M123 HydrophobicContact CE3-CE 4.3Å; M50-M123 HydrophobicContact CB-CE 3.6Å; M50-M123 HydrophobicContact CE-CE 3.93Å; M50-M123 HydrophobicContact CG-CE 3.88Å; V117-M123 HydrophobicContact CG2-CG 3.97Å; M123-Y125 PolarHBondContact O-N 3.45Å; M123-Y125 VanDerWaalsContact O-N 3.11Å; M123-W126 HydrophobicContact CB-CE3 3.96Å; M123-W126 HydrophobicContact CB-CZ3 4.28Å; M123-W126 HydrophobicContact CE-CE3 4.29Å; M123-W126 HydrophobicContact CG-CE3 4.27Å; M123-W126 HydrophobicContact CG-CZ3 4.19Å; M123-W126 PolarHBondContact O-N 3.39Å; M123-W126 VanDerWaalsContact O-N 3.09Å; M123-W129 HydrophobicContact CB-CD2 3.5Å; M123-W129 HydrophobicContact CB-CE3 3.48Å; M123-W129 VanDerWaalsContact CB-CE3 3.48Å; M123-W129 HydrophobicContact CB-CG 4.16Å; M123-W129 HydrophobicContact CB-CH2 3.96Å; M123-W129 HydrophobicContact CB-CZ2 3.96Å; M123-W129 HydrophobicContact CB-CZ3 3.73Å; M123-W129 HydrophobicContact CE-CG 4.16Å; M123-W129 HydrophobicContact SD-CD2 4.38Å; M123-W129 HydrophobicContact SD-CZ2 4.3Å
124N97.5Very high98.2Very high77 Ų7759.2 Ų59.241%0.41228%0.279SS..THydrogen-bonded Turntrans-66.9-11.3-178.1-81-27.7000115.2W126 Q127N124-W126 VanDerWaalsContact C-N 3.28Å; N124-Q127 PolarHBondContact O-NE2 3.06Å
125Y98.3Very high98.1Very high58 Ų5865.1 Ų65.123%0.22731%0.312CS..THydrogen-bonded Turntrans-58.9-41.3168.5168.7-95000111.2Q76 N78 W82 I116 M123 Q127Q76-Y125 PolarHBondContact O-OH 3.43Å; Q76-Y125 VanDerWaalsContact O-OH 3.1Å; N78-Y125 VanDerWaalsContact CB-OH 3.26Å; N78-Y125 WeakPolarHBondContact CB-OH 3.43Å; N78-Y125 PolarHBondContact N-OH 3.1Å; W82-Y125 AromaticContact CD1-CE2 3.64Å; W82-Y125 AromaticContact CD1-CZ 3.81Å; W82-Y125 AromaticContact NE1-CD2 3.69Å; W82-Y125 AromaticContact NE1-CE2 3.21Å; W82-Y125 AromaticContact NE1-CZ 3.79Å; I116-Y125 HydrophobicContact CD1-CD1 4.3Å; I116-Y125 HydrophobicContact CD1-CE1 4.02Å; I116-Y125 HydrophobicContact CG2-CD1 3.72Å; I116-Y125 HydrophobicContact CG2-CD2 4.23Å; I116-Y125 HydrophobicContact CG2-CE1 4.46Å; I116-Y125 HydrophobicContact CG2-CG 3.6Å; M123-Y125 PolarHBondContact O-N 3.45Å; M123-Y125 VanDerWaalsContact O-N 3.11Å; Y125-Q127 PolarHBondContact O-N 2.89Å; Y125-Q127 PolarHBondContact O-NE2 2.81Å
126W98.6Very high98Very high2 Ų267.8 Ų67.81%0.00832%0.324CS..  trans-86106.5-177.8-67-73.3000111.6M50 E54 F75 A113 I116 V117 M123 N124 W129 K130M50-W126 HydrophobicContact CE-CD2 3.98Å; M50-W126 HydrophobicContact CE-CE3 4.39Å; M50-W126 HydrophobicContact CE-CG 4.49Å; M50-W126 HydrophobicContact CE-CH2 4.4Å; M50-W126 HydrophobicContact CE-CZ2 3.97Å; M50-W126 HydrophobicContact CG-CB 3.77Å; M50-W126 HydrophobicContact CG-CD2 3.85Å; M50-W126 HydrophobicContact CG-CE3 4.41Å; M50-W126 HydrophobicContact CG-CG 3.55Å; M50-W126 HydrophobicContact SD-CD2 3.94Å; M50-W126 HydrophobicContact SD-CG 3.83Å; E54-W126 HydrophobicContact CG-CB 4.3Å; E54-W126 HydrophobicContact CG-CG 4.29Å; E54-W126 WeakPolarHBondContact OE1-CA 3.29Å; E54-W126 VanDerWaalsContact OE1-CB 3.27Å; E54-W126 WeakPolarHBondContact OE1-CB 3.22Å; F75-W126 PolarHBondContact O-NE1 2.71Å; A113-W126 HydrophobicContact CB-CH2 4.26Å; A113-W126 HydrophobicContact CB-CZ2 3.99Å; I116-W126 HydrophobicContact CB-CH2 3.77Å; I116-W126 HydrophobicContact CB-CZ2 4.21Å; I116-W126 HydrophobicContact CD1-CZ2 4.08Å; I116-W126 HydrophobicContact CG2-CH2 3.57Å; I116-W126 HydrophobicContact CG2-CZ2 4.03Å; I116-W126 HydrophobicContact CG2-CZ3 4Å; V117-W126 HydrophobicContact CG2-CH2 3.8Å; V117-W126 HydrophobicContact CG2-CZ3 3.54Å; M123-W126 HydrophobicContact CB-CE3 3.96Å; M123-W126 HydrophobicContact CB-CZ3 4.28Å; M123-W126 HydrophobicContact CE-CE3 4.29Å; M123-W126 HydrophobicContact CG-CE3 4.27Å; M123-W126 HydrophobicContact CG-CZ3 4.19Å; M123-W126 PolarHBondContact O-N 3.39Å; M123-W126 VanDerWaalsContact O-N 3.09Å; N124-W126 VanDerWaalsContact C-N 3.28Å; W126-W129 HydrophobicContact CB-CB 3.8Å; W126-W129 PolarHBondContact O-N 2.91Å; W126-K130 PolarHBondContact O-N 3.48Å
127Q98.1Very high97.9Very high117 Ų11773.3 Ų73.355%0.54735%0.353SS..Hα-helixtrans-70.4-32.3-177.9-61.2-47.2-58.400112.7E54 N124 Y125 K130 K131E54-Q127 PolarHBondContact OE1-N 3.14Å; N124-Q127 PolarHBondContact O-NE2 3.06Å; Y125-Q127 PolarHBondContact O-N 2.89Å; Y125-Q127 PolarHBondContact O-NE2 2.81Å; Q127-K130 PolarHBondContact O-N 3.38Å; Q127-K131 WeakPolarHBondContact O-CB 3.28Å; Q127-K131 PolarHBondContact O-N 2.98Å
128G98.1Very high97.8Very high13 Ų1373.9 Ų73.913%0.13436%0.356CS..Hα-helixtrans-62.6-42.8172.300000111.5E54 N132E54-G128 WeakPolarHBondContact OE1-CA 3.37Å; E54-G128 PolarHBondContact OE1-N 3.4Å; G128-N132 WeakPolarHBondContact O-CB 3.26Å; G128-N132 PolarHBondContact O-N 3.26Å; G128-N132 PolarHBondContact O-ND2 2.05Å
129W98.6Very high97.6Very high10 Ų1069.1 Ų69.14%0.03834%0.342CS..Hα-helixtrans-62.8-51.4171.7177.785.6000111.8F42 N46 M50 E54 M123 W126 K131 N132 C133 E134F42-W129 HydrophobicContact CD1-CZ2 4.1Å; F42-W129 AromaticContact CE1-CH2 3.93Å; F42-W129 HydrophobicContact CE1-CH2 3.93Å; F42-W129 AromaticContact CE1-CZ2 3.71Å; F42-W129 HydrophobicContact CE1-CZ2 3.71Å; N46-W129 PolarHBondContact OD1-NE1 2.93Å; M50-W129 HydrophobicContact CB-CB 3.81Å; M50-W129 HydrophobicContact CB-CG 4.07Å; M50-W129 HydrophobicContact CG-CB 3.78Å; M50-W129 HydrophobicContact CG-CG 4.4Å; E54-W129 PolarHBondContact OE1-N 3.23Å; M123-W129 HydrophobicContact CB-CD2 3.5Å; M123-W129 HydrophobicContact CB-CE3 3.48Å; M123-W129 VanDerWaalsContact CB-CE3 3.48Å; M123-W129 HydrophobicContact CB-CG 4.16Å; M123-W129 HydrophobicContact CB-CH2 3.96Å; M123-W129 HydrophobicContact CB-CZ2 3.96Å; M123-W129 HydrophobicContact CB-CZ3 3.73Å; M123-W129 HydrophobicContact CE-CG 4.16Å; M123-W129 HydrophobicContact SD-CD2 4.38Å; M123-W129 HydrophobicContact SD-CZ2 4.3Å; W126-W129 HydrophobicContact CB-CB 3.8Å; W126-W129 PolarHBondContact O-N 2.91Å; W129-K131 VanDerWaalsContact C-N 3.31Å; W129-K131 PolarHBondContact O-N 2.91Å; W129-N132 PolarHBondContact O-N 2.89Å; W129-C133 HydrophobicContact CB-CB 4.5Å; W129-C133 HydrophobicContact CD2-CB 4.34Å; W129-C133 HydrophobicContact CG-CB 3.84Å; W129-C133 WeakPolarHBondContact O-CA 2.97Å; W129-C133 WeakPolarHBondContact O-CB 3.48Å; W129-C133 PolarHBondContact O-N 2.93Å; W129-E134 HydrophobicContact CE3-CB 4.46Å; W129-E134 HydrophobicContact CH2-CB 3.84Å; W129-E134 HydrophobicContact CH2-CG 3.74Å; W129-E134 HydrophobicContact CZ2-CB 4.28Å; W129-E134 HydrophobicContact CZ2-CG 4.49Å; W129-E134 HydrophobicContact CZ3-CB 3.94Å; W129-E134 HydrophobicContact CZ3-CG 4.03Å; W129-E134 PolarHBondContact O-N 2.62Å
130K98.3Very high97.5Very high93 Ų9368.9 Ų68.940%0.40434%0.341SS..Hα-helixtrans-56.4-45.9-176.7-173177.2-178.1178.80112W126 Q127 E134W126-K130 PolarHBondContact O-N 3.48Å; Q127-K130 PolarHBondContact O-N 3.38Å; K130-E134 WeakPolarHBondContact O-CB 3.08Å
131K98.4Very high97.5Very high173 Ų17368.6 Ų68.675%0.75233%0.334SS*.Hα-helixtrans-69-35.5-178.9-178.1177.1177.6-179.10113.3Q127 W129Q127-K131 WeakPolarHBondContact O-CB 3.28Å; Q127-K131 PolarHBondContact O-N 2.98Å; W129-K131 VanDerWaalsContact C-N 3.31Å; W129-K131 PolarHBondContact O-N 2.91Å
132N98.5Very high97.4Very high38 Ų3862.5 Ų62.520%0.20331%0.305CS..Hα-helixtrans-115.5-15.8-164.9-59.4-75.6000115.2Y53 G128 W129 K136Y53-N132 HydrophobicContact CD1-CB 3.83Å; Y53-N132 WeakPolarHBondContact CD1-ND2 3.36Å; Y53-N132 HydrophobicContact CD2-CB 3.45Å; Y53-N132 VanDerWaalsContact CD2-CB 3.45Å; Y53-N132 HydrophobicContact CE1-CB 3.7Å; Y53-N132 VanDerWaalsContact CE1-CG 3.42Å; Y53-N132 HydrophobicContact CE2-CB 3.31Å; Y53-N132 HydrophobicContact CG-CB 3.71Å; Y53-N132 VanDerWaalsContact CZ-CB 3.43Å; G128-N132 WeakPolarHBondContact O-CB 3.26Å; G128-N132 PolarHBondContact O-N 3.26Å; G128-N132 PolarHBondContact O-ND2 2.05Å; W129-N132 PolarHBondContact O-N 2.89Å; N132-K136 VanDerWaalsContact O-CD 3.27Å; N132-K136 WeakPolarHBondContact O-CD 3.43Å; N132-K136 VanDerWaalsContact O-CE 3.23Å; N132-K136 WeakPolarHBondContact O-CE 3.31Å; N132-K136 PolarHBondContact O-NZ 2.78Å
133C98.4Very high97.4Very high0 Ų069.8 Ų69.80%033%0.33CS..THydrogen-bonded Turntrans-123.5-33.2-168.9-49.60000113.2C49 W129 N135 K136 M138C49-C133 VanDerWaalsContact C-SG 3.51Å; C49-C133 HydrophobicContact CB-CB 3.78Å; C49-C133 WeakPolarHBondContact CB-SG 3.35Å; C49-C133 WeakPolarHBondContact SG-CB 3.4Å; C49-C133 CovalentContact SG-SG 2.01Å; C49-C133 PolarHBondContact SG-SG 3.34Å; W129-C133 HydrophobicContact CB-CB 4.5Å; W129-C133 HydrophobicContact CD2-CB 4.34Å; W129-C133 HydrophobicContact CG-CB 3.84Å; W129-C133 WeakPolarHBondContact O-CA 2.97Å; W129-C133 WeakPolarHBondContact O-CB 3.48Å; W129-C133 PolarHBondContact O-N 2.93Å; C133-N135 PolarHBondContact O-N 2.73Å; C133-K136 PolarHBondContact O-N 2.95Å; C133-M138 HydrophobicContact CB-CE 4.39Å; C133-M138 WeakPolarHBondContact O-CE 3.47Å
134E97.9Very high97.3Very high66 Ų6673.1 Ų73.131%0.30837%0.365SS..THydrogen-bonded Turntrans-55.9135.4-176.3-171.2176.3-140.200111.6W129 K130 K136W129-E134 HydrophobicContact CE3-CB 4.46Å; W129-E134 HydrophobicContact CH2-CB 3.84Å; W129-E134 HydrophobicContact CH2-CG 3.74Å; W129-E134 HydrophobicContact CZ2-CB 4.28Å; W129-E134 HydrophobicContact CZ2-CG 4.49Å; W129-E134 HydrophobicContact CZ3-CB 3.94Å; W129-E134 HydrophobicContact CZ3-CG 4.03Å; W129-E134 PolarHBondContact O-N 2.62Å; K130-E134 WeakPolarHBondContact O-CB 3.08Å; E134-K136 PolarHBondContact O-N 2.96Å; E134-K136 VanDerWaalsContact O-N 3.15Å
135N96.5Very high97.2Very high160 Ų16069.6 Ų69.686%0.85635%0.347SS*.THydrogen-bonded Turntrans57.722.2179.3-58-42.4000115.7C133C133-N135 PolarHBondContact O-N 2.73Å
136K97.1Very high97.1Very high117 Ų11774.8 Ų74.851%0.50937%0.373SS..SBendtrans-105159.5173.6-61.3-174.5-171.4175.10111.7N132 C133 E134 M138N132-K136 VanDerWaalsContact O-CD 3.27Å; N132-K136 WeakPolarHBondContact O-CD 3.43Å; N132-K136 VanDerWaalsContact O-CE 3.23Å; N132-K136 WeakPolarHBondContact O-CE 3.31Å; N132-K136 PolarHBondContact O-NZ 2.78Å; C133-K136 PolarHBondContact O-N 2.95Å; E134-K136 PolarHBondContact O-N 2.96Å; E134-K136 VanDerWaalsContact O-N 3.15Å; K136-M138 HydrophobicContact CB-CE 3.58Å; K136-M138 VanDerWaalsContact O-CE 3.28Å; K136-M138 WeakPolarHBondContact O-CE 3.48Å; K136-M138 PolarHBondContact O-N 2.85Å
137D96.3Very high96.8Very high116 Ų11676.1 Ų76.162%0.6238%0.381SS*.  trans-66.4122.6170.3-1777.8000110.4S139D137-S139 VanDerWaalsContact OD1-CB 3.22Å; D137-S139 WeakPolarHBondContact OD1-CB 3.41Å; D137-S139 PolarHBondContact OD1-N 2.94Å; D137-S139 PolarHBondContact OD1-OG 3.43Å; D137-S139 VanDerWaalsContact OD1-OG 3.05Å; D137-S139 PolarHBondContact OD2-OG 3.35Å
138M96.3Very high95.7Very high16 Ų1677.7 Ų77.78%0.07941%0.405CS..  trans-93.6-3.6-177.3-67.6-62.9107.300113.3A43 N46 C49 C133 K136 E140 W141A43-M138 HydrophobicContact CB-CB 4.5Å; N46-M138 HydrophobicContact CB-SD 4.47Å; C49-M138 HydrophobicContact CB-SD 4.17Å; C133-M138 HydrophobicContact CB-CE 4.39Å; C133-M138 WeakPolarHBondContact O-CE 3.47Å; K136-M138 HydrophobicContact CB-CE 3.58Å; K136-M138 VanDerWaalsContact O-CE 3.28Å; K136-M138 WeakPolarHBondContact O-CE 3.48Å; K136-M138 PolarHBondContact O-N 2.85Å; M138-E140 VanDerWaalsContact C-N 3.29Å; M138-E140 PolarHBondContact O-N 3.42Å; M138-W141 PolarHBondContact O-N 3.4Å
139S95Very high95.6Very high56 Ų5681 Ų8139%0.39242%0.419SS..Hα-helixtrans-58.4-41-177.969.10000112.5D137 W141 K142 R143D137-S139 VanDerWaalsContact OD1-CB 3.22Å; D137-S139 WeakPolarHBondContact OD1-CB 3.41Å; D137-S139 PolarHBondContact OD1-N 2.94Å; D137-S139 PolarHBondContact OD1-OG 3.43Å; D137-S139 VanDerWaalsContact OD1-OG 3.05Å; D137-S139 PolarHBondContact OD2-OG 3.35Å; S139-W141 VanDerWaalsContact C-N 3.27Å; S139-W141 PolarHBondContact O-N 3.3Å; S139-K142 PolarHBondContact O-N 3.22Å; S139-R143 PolarHBondContact O-N 3.44Å
140E94.8Very high95.4Very high86 Ų8684.7 Ų84.740%0.40244%0.439SS..Hα-helixtrans-58.3-35.3-179.2-76.3-62.2140.900113.2R24 M138 K142 R143R24-E140 PolarHBondContact NH1-O 2.67Å; M138-E140 VanDerWaalsContact C-N 3.29Å; M138-E140 PolarHBondContact O-N 3.42Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 2.97Å; E140-R143 VanDerWaalsContact CD-CZ 3.42Å; E140-R143 WeakPolarHBondContact O-CB 3.4Å; E140-R143 PolarHBondContact O-N 3.29Å; E140-R143 IonicContact OE1-CZ 2.86Å; E140-R143 IonicContact OE1-NE 2.84Å; E140-R143 PolarHBondContact OE1-NE 3.12Å; E140-R143 IonicContact OE1-NH1 3.79Å; E140-R143 PolarHBondContact OE1-NH1 3.17Å; E140-R143 IonicContact OE1-NH2 3.84Å; E140-R143 IonicContact OE2-CZ 2.91Å; E140-R143 IonicContact OE2-NE 3.38Å; E140-R143 PolarHBondContact OE2-NE 2.76Å; E140-R143 IonicContact OE2-NH1 3.17Å; E140-R143 IonicContact OE2-NH2 3.59Å; E140-R143 PolarHBondContact OE2-NH2 3.1Å
141W97.6Very high95.2Very high49 Ų4984.2 Ų84.219%0.18644%0.441CS..Hα-helixtrans-66.3-28.4-177.5-74.196000113.6R24 L48 C49 Y52 Y53 Y57 M138 S139R24-W141 WeakPolarHBondContact CD-O 3.21Å; R24-W141 PolarHBondContact NH1-O 3.04Å; L48-W141 HydrophobicContact CB-CB 4.09Å; L48-W141 HydrophobicContact CB-CE3 4.12Å; L48-W141 HydrophobicContact CD1-CB 4.28Å; L48-W141 WeakPolarHBondContact CD1-O 3.3Å; C49-W141 HydrophobicContact CB-CD2 3.78Å; C49-W141 HydrophobicContact CB-CE3 4.36Å; C49-W141 HydrophobicContact CB-CG 4.18Å; C49-W141 HydrophobicContact CB-CH2 4.29Å; C49-W141 HydrophobicContact CB-CZ2 3.71Å; C49-W141 WeakPolarHBondContact SG-CZ2 3.31Å; Y52-W141 AromaticContact CD1-CH2 3.78Å; Y52-W141 HydrophobicContact CD1-CH2 3.78Å; Y52-W141 HydrophobicContact CD1-CZ3 4.28Å; Y52-W141 AromaticContact CG-CH2 3.95Å; Y52-W141 HydrophobicContact CG-CH2 3.95Å; Y52-W141 AromaticContact CG-CZ3 3.98Å; Y52-W141 HydrophobicContact CG-CZ3 3.98Å; Y53-W141 HydrophobicContact CD2-CH2 4.47Å; Y53-W141 HydrophobicContact CE2-CH2 4.01Å; Y53-W141 AromaticContact CE2-CZ2 3.86Å; Y53-W141 HydrophobicContact CE2-CZ2 3.86Å; Y57-W141 WeakPolarHBondContact OH-CZ3 3.21Å; M138-W141 PolarHBondContact O-N 3.4Å; S139-W141 VanDerWaalsContact C-N 3.27Å; S139-W141 PolarHBondContact O-N 3.3Å
142K95.3Very high95.1Very high59 Ų5979 Ų7926%0.25742%0.422SS..Hα-helixtrans-102.5-4.1175.373.2175.2-170.7167.30114.4D37 L44 L48 S139 E140 G144 C145 V147 S148D37-K142 IonicContact OD2-NZ 3.26Å; L44-K142 HydrophobicContact CB-CD 4.46Å; L44-K142 HydrophobicContact CD2-CB 4.36Å; L44-K142 HydrophobicContact CD2-CD 4.18Å; L48-K142 HydrophobicContact CD1-CB 4.4Å; S139-K142 PolarHBondContact O-N 3.22Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 2.97Å; K142-G144 PolarHBondContact O-N 3.41Å; K142-C145 WeakPolarHBondContact O-CB 3.08Å; K142-C145 PolarHBondContact O-N 2.76Å; K142-C145 VanDerWaalsContact O-N 3.11Å; K142-V147 HydrophobicContact CB-CG2 3.93Å; K142-V147 HydrophobicContact CD-CG2 4.17Å; K142-S148 PolarHBondContact NZ-O 2.85Å; K142-S148 PolarHBondContact NZ-OXT 3.17Å
143R96.5Very high94.9Very high158 Ų15881.6 Ų81.660%0.59644%0.436SS*.THydrogen-bonded Turntrans-56.8125.1-177.7-171.9170.763.4153.6-1.6112R24 S139 E140 C145R24-R143 PolarHBondContact NH1-O 3.38Å; R24-R143 PolarHBondContact NH2-O 2.96Å; S139-R143 PolarHBondContact O-N 3.44Å; E140-R143 VanDerWaalsContact CD-CZ 3.42Å; E140-R143 WeakPolarHBondContact O-CB 3.4Å; E140-R143 PolarHBondContact O-N 3.29Å; E140-R143 IonicContact OE1-CZ 2.86Å; E140-R143 IonicContact OE1-NE 2.84Å; E140-R143 PolarHBondContact OE1-NE 3.12Å; E140-R143 IonicContact OE1-NH1 3.79Å; E140-R143 PolarHBondContact OE1-NH1 3.17Å; E140-R143 IonicContact OE1-NH2 3.84Å; E140-R143 IonicContact OE2-CZ 2.91Å; E140-R143 IonicContact OE2-NE 3.38Å; E140-R143 PolarHBondContact OE2-NE 2.76Å; E140-R143 IonicContact OE2-NH1 3.17Å; E140-R143 IonicContact OE2-NH2 3.59Å; E140-R143 PolarHBondContact OE2-NH2 3.1Å; R143-C145 VanDerWaalsContact C-N 3.34Å
144G97.1Very high94.6Very high72 Ų7287 Ų8774%0.74247%0.465SS*.THydrogen-bonded Turntrans78.86.1179.300000115.7K142K142-G144 PolarHBondContact O-N 3.41Å
145C96.7Very high94.4Very high3 Ų388.5 Ų88.52%0.0248%0.476CS..SBendtrans-93.92.4-176.8-63.50000115.5C25 A28 K29 K142 R143 V147C25-C145 WeakPolarHBondContact CA-SG 3.36Å; C25-C145 HydrophobicContact CB-CB 3.49Å; C25-C145 VanDerWaalsContact CB-CB 3.49Å; C25-C145 WeakPolarHBondContact CB-SG 3.23Å; C25-C145 WeakPolarHBondContact SG-CA 3.06Å; C25-C145 WeakPolarHBondContact SG-CB 3.27Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 2.73Å; A28-C145 HydrophobicContact CB-CB 4.04Å; K29-C145 WeakPolarHBondContact CE-O 3.45Å; K142-C145 WeakPolarHBondContact O-CB 3.08Å; K142-C145 PolarHBondContact O-N 2.76Å; K142-C145 VanDerWaalsContact O-N 3.11Å; R143-C145 VanDerWaalsContact C-N 3.34Å; C145-V147 VanDerWaalsContact C-N 3.32Å; C145-V147 HydrophobicContact CB-CG2 4.26Å; C145-V147 PolarHBondContact O-N 3.36Å
146E94.3Very high94.2Very high167 Ų16783 Ų8378%0.7845%0.447SS*.  trans53.247.6179.4-50.6170.314700112.8K29K29-E146 IonicContact NZ-OE2 2.63Å; K29-E146 PolarHBondContact NZ-OE2 3.44Å
147V92.9Very high94Very high29 Ų2980.2 Ų80.218%0.17644%0.442CS..  trans-117.7138172.8-70.60000107.9A28 K29 A32 L44 K142 C145A28-V147 HydrophobicContact CB-CG1 4.19Å; A28-V147 HydrophobicContact CB-CG2 4.32Å; K29-V147 HydrophobicContact CB-CG1 4.3Å; K29-V147 HydrophobicContact CG-CG1 3.6Å; A32-V147 HydrophobicContact CB-CG1 4.35Å; L44-V147 HydrophobicContact CD2-CB 4.28Å; L44-V147 HydrophobicContact CD2-CG2 3.77Å; K142-V147 HydrophobicContact CB-CG2 3.93Å; K142-V147 HydrophobicContact CD-CG2 4.17Å; C145-V147 VanDerWaalsContact C-N 3.32Å; C145-V147 HydrophobicContact CB-CG2 4.26Å; C145-V147 PolarHBondContact O-N 3.36Å
148S75.1Confident93.8Very high151 Ų15176.9 Ų76.9100%1.05643%0.426SS*.  trans-60.80172.7-57.10000111K142K142-S148 PolarHBondContact NZ-O 2.85Å; K142-S148 PolarHBondContact NZ-OXT 3.17Å

Retrieved 148 of 148 residues in 196.4 ms (Link to these results)

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