G4VER2_SCHMA Loading...

Large ribosomal subunit protein bL28m

AlphaFold DB , UniProt , Accession G4VER2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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
1M44.3Very low75.4Confident222 Ų222119.9 Ų119.9100%1.09455%0.546SS*.  0131.60-70.2-165.8-166.700108.4
2S59.5Low76.8Confident37 Ų37119.7 Ų119.726%0.25955%0.546SS..  trans-64.1134.9177.9470000110.4L4 F5S2-L4 PolarHBondContact O-N 3.28Å; S2-F5 WeakPolarHBondContact OG-CD2 3.35Å; S2-F5 WeakPolarHBondContact OG-CE2 3.25Å
3R71Confident78Confident198 Ų198110.8 Ų110.875%0.74751%0.506SS*.G310 helixtrans-59.8-13.2177.2-67.3-179.1179.7166.7-0.7113.4F5 F6 Y7R3-F5 VanDerWaalsContact C-N 3.26Å; R3-F5 PolarHBondContact O-N 3.02Å; R3-F6 PolarHBondContact O-N 3.27Å; R3-Y7 HydrophobicContact CB-CE2 4.41Å; R3-Y7 WeakPolarHBondContact O-CD2 3.29Å
4L72.2Confident79.1Confident19 Ų19105 Ų10510%0.09948%0.481CS..G310 helixtrans-55.9-32.2-178.6-60.3171000114.6S2 F6 I10 L193 E194S2-L4 PolarHBondContact O-N 3.28Å; L4-F6 VanDerWaalsContact C-N 3.27Å; L4-F6 PolarHBondContact O-N 3.47Å; L4-I10 HydrophobicContact CB-CG2 4.07Å; L4-I10 HydrophobicContact CD2-CD1 3.85Å; L4-I10 HydrophobicContact CD2-CG2 4.15Å; L4-I10 WeakPolarHBondContact O-CG2 3.33Å; L4-L193 HydrophobicContact CD1-CB 4.02Å; L4-L193 HydrophobicContact CD1-CD2 3.8Å; L4-L193 HydrophobicContact CD1-CG 3.75Å; L4-E194 HydrophobicContact CD1-CG 3.51Å; L4-E194 HydrophobicContact CD2-CG 4.05Å; L4-E194 HydrophobicContact CG-CG 4.13Å
5F71.9Confident80Confident120 Ų120105.1 Ų105.153%0.52649%0.487SS..G310 helixtrans-75.9-14.8-176.4-63.3-67.7000113.8S2 R3 L193S2-F5 WeakPolarHBondContact OG-CD2 3.35Å; S2-F5 WeakPolarHBondContact OG-CE2 3.25Å; R3-F5 VanDerWaalsContact C-N 3.26Å; R3-F5 PolarHBondContact O-N 3.02Å; F5-L193 HydrophobicContact CE1-CD2 4.42Å; F5-L193 HydrophobicContact CZ-CD2 3.98Å
6F78.9Confident80.9Confident157 Ų157105.9 Ų105.969%0.68948%0.484SS*.G310 helixtrans-86-17.4-178.1-62-72.7000113.5R3 L4R3-F6 PolarHBondContact O-N 3.27Å; L4-F6 VanDerWaalsContact C-N 3.27Å; L4-F6 PolarHBondContact O-N 3.47Å
7Y83.5Confident81.8Confident138 Ų13899.9 Ų99.954%0.54146%0.457SS..  trans-97.1116.4-177.9-61.7-78.8000110.9R3 Q9 I10 K11R3-Y7 HydrophobicContact CB-CE2 4.41Å; R3-Y7 WeakPolarHBondContact O-CD2 3.29Å; Y7-Q9 VanDerWaalsContact C-N 3.28Å; Y7-Q9 PolarHBondContact O-N 3.17Å; Y7-I10 HydrophobicContact CD2-CD1 3.88Å; Y7-I10 HydrophobicContact CG-CD1 4.15Å; Y7-I10 PolarHBondContact O-N 3.35Å; Y7-K11 PolarHBondContact O-N 2.82Å; Y7-K11 VanDerWaalsContact O-N 3.08Å
8N85.7Confident82.6Confident124 Ų12495.6 Ų95.666%0.66344%0.44SS*.Hα-helixtrans-55.6-41.6-179.9-73.1-12.9000112.7I10 K11 E12N8-I10 VanDerWaalsContact C-N 3.29Å; N8-I10 PolarHBondContact O-N 3.38Å; N8-K11 WeakPolarHBondContact O-CB 3.32Å; N8-K11 PolarHBondContact O-N 3.16Å; N8-K11 VanDerWaalsContact O-N 3.12Å; N8-E12 PolarHBondContact O-N 3.44Å; N8-E12 VanDerWaalsContact O-N 3.08Å
9Q85Confident83.3Confident150 Ų15096.1 Ų96.170%0.70145%0.452SS*.Hα-helixtrans-58.4-40.2176.9-65173.8-7.900112.2Y7 E12 V13Y7-Q9 VanDerWaalsContact C-N 3.28Å; Y7-Q9 PolarHBondContact O-N 3.17Å; Q9-E12 PolarHBondContact O-N 3.23Å; Q9-V13 VanDerWaalsContact O-CG2 3.31Å; Q9-V13 WeakPolarHBondContact O-CG2 3.21Å; Q9-V13 PolarHBondContact O-N 3.13Å
10I88.7Confident83.9Confident28 Ų2893.9 Ų93.914%0.14444%0.442CS..Hα-helixtrans-71.3-37.6178.9-63-179.7000110.2L4 Y7 N8 E12 V13 I14 V197L4-I10 HydrophobicContact CB-CG2 4.07Å; L4-I10 HydrophobicContact CD2-CD1 3.85Å; L4-I10 HydrophobicContact CD2-CG2 4.15Å; L4-I10 WeakPolarHBondContact O-CG2 3.33Å; Y7-I10 HydrophobicContact CD2-CD1 3.88Å; Y7-I10 HydrophobicContact CG-CD1 4.15Å; Y7-I10 PolarHBondContact O-N 3.35Å; N8-I10 VanDerWaalsContact C-N 3.29Å; N8-I10 PolarHBondContact O-N 3.38Å; I10-E12 VanDerWaalsContact C-N 3.31Å; I10-E12 PolarHBondContact O-N 2.89Å; I10-V13 PolarHBondContact O-N 2.93Å; I10-V13 VanDerWaalsContact O-N 3.11Å; I10-I14 HydrophobicContact CG2-CD1 3.85Å; I10-I14 HydrophobicContact CG2-CG1 4.22Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.33Å; I10-I14 PolarHBondContact O-N 3.49Å; I10-V197 HydrophobicContact CG2-CG1 4.23Å; I10-V197 HydrophobicContact CG2-CG2 4.2Å
11K89.2Confident84.5Confident126 Ų12689.5 Ų89.555%0.54842%0.421SS..Hα-helixtrans-58.7-42.1175.1-170-179.9179.1-177.90111.9Y7 N8 V13 I14 N15Y7-K11 PolarHBondContact O-N 2.82Å; Y7-K11 VanDerWaalsContact O-N 3.08Å; N8-K11 WeakPolarHBondContact O-CB 3.32Å; N8-K11 PolarHBondContact O-N 3.16Å; N8-K11 VanDerWaalsContact O-N 3.12Å; K11-V13 VanDerWaalsContact C-N 3.33Å; K11-V13 PolarHBondContact O-N 3.25Å; K11-I14 PolarHBondContact O-N 3.41Å; K11-N15 PolarHBondContact O-N 3.05Å
12E91.5Very high86.9Confident117 Ų11782.2 Ų82.255%0.54738%0.384SS..Hα-helixtrans-62.8-38.4174.3-69.5173.7-173.600112.6N8 Q9 I10 N15 R16N8-E12 PolarHBondContact O-N 3.44Å; N8-E12 VanDerWaalsContact O-N 3.08Å; Q9-E12 PolarHBondContact O-N 3.23Å; I10-E12 VanDerWaalsContact C-N 3.31Å; I10-E12 PolarHBondContact O-N 2.89Å; E12-N15 PolarHBondContact O-N 3.27Å; E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.03Å; E12-R16 PolarHBondContact O-NE 2.87Å; E12-R16 VanDerWaalsContact O-NE 3.09Å
13V93.3Very high88.6Confident4 Ų488.1 Ų88.12%0.02440%0.404CS..Hα-helixtrans-69.7-40.3176.3-179.60000110.9Q9 I10 K11 N15 R16 L17 V197 Q200 M201Q9-V13 VanDerWaalsContact O-CG2 3.31Å; Q9-V13 WeakPolarHBondContact O-CG2 3.21Å; Q9-V13 PolarHBondContact O-N 3.13Å; I10-V13 PolarHBondContact O-N 2.93Å; I10-V13 VanDerWaalsContact O-N 3.11Å; K11-V13 VanDerWaalsContact C-N 3.33Å; K11-V13 PolarHBondContact O-N 3.25Å; V13-N15 VanDerWaalsContact C-N 3.25Å; V13-N15 PolarHBondContact O-N 3.27Å; V13-R16 WeakPolarHBondContact O-CA 3.42Å; V13-R16 WeakPolarHBondContact O-CB 3.31Å; V13-R16 PolarHBondContact O-N 3.44Å; V13-L17 PolarHBondContact O-N 3.32Å; V13-V197 HydrophobicContact CB-CG1 4.33Å; V13-V197 HydrophobicContact CG1-CB 4.37Å; V13-V197 HydrophobicContact CG1-CG1 3.9Å; V13-V197 HydrophobicContact CG1-CG2 4.43Å; V13-Q200 HydrophobicContact CG1-CB 3.92Å; V13-Q200 HydrophobicContact CG1-CG 3.84Å; V13-M201 HydrophobicContact CB-CE 4.48Å; V13-M201 HydrophobicContact CG1-CG 4.14Å; V13-M201 HydrophobicContact CG2-CE 3.72Å; V13-M201 HydrophobicContact CG2-CG 4.16Å
14I92.7Very high89.6Confident30 Ų3080.6 Ų80.615%0.15438%0.376CS..Hα-helixtrans-59-40.1175.7-68.9167.2000110.5I10 K11 R16 L17 K22 L193 V197I10-I14 HydrophobicContact CG2-CD1 3.85Å; I10-I14 HydrophobicContact CG2-CG1 4.22Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.33Å; I10-I14 PolarHBondContact O-N 3.49Å; K11-I14 PolarHBondContact O-N 3.41Å; I14-R16 PolarHBondContact O-N 3.46Å; I14-L17 HydrophobicContact CB-CD1 4.42Å; I14-L17 HydrophobicContact CG1-CD1 4.42Å; I14-L17 HydrophobicContact CG2-CD1 4.37Å; I14-L17 WeakPolarHBondContact O-CB 3.47Å; I14-L17 PolarHBondContact O-N 2.93Å; I14-K22 WeakPolarHBondContact O-CE 3.41Å; I14-L193 HydrophobicContact CD1-CD2 4.48Å; I14-L193 HydrophobicContact CG1-CD1 4.32Å; I14-V197 HydrophobicContact CG1-CG2 3.85Å
15N92.6Very high90.6Very high107 Ų10782.8 Ų82.857%0.57238%0.383SS*.Hα-helixtrans-63-26.8175.4-72.3-14.5000113K11 E12 V13 K22K11-N15 PolarHBondContact O-N 3.05Å; E12-N15 PolarHBondContact O-N 3.27Å; V13-N15 VanDerWaalsContact C-N 3.25Å; V13-N15 PolarHBondContact O-N 3.27Å; N15-K22 PolarHBondContact O-NZ 3.41Å
16R94.1Very high91.6Very high117 Ų11782.3 Ų82.344%0.44239%0.386SS..Hα-helixtrans-87.8-9178.3-68.2176.7-79.7163.7-2.9114.4E12 V13 I14 E204E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.03Å; E12-R16 PolarHBondContact O-NE 2.87Å; E12-R16 VanDerWaalsContact O-NE 3.09Å; V13-R16 WeakPolarHBondContact O-CA 3.42Å; V13-R16 WeakPolarHBondContact O-CB 3.31Å; V13-R16 PolarHBondContact O-N 3.44Å; I14-R16 PolarHBondContact O-N 3.46Å; R16-E204 WeakPolarHBondContact CD-OE1 3.37Å; R16-E204 IonicContact CZ-OE1 3.36Å; R16-E204 IonicContact CZ-OE2 2.66Å; R16-E204 IonicContact NE-OE1 3.83Å; R16-E204 IonicContact NH1-OE1 2.73Å; R16-E204 PolarHBondContact NH1-OE1 2.56Å; R16-E204 IonicContact NH1-OE2 2.93Å; R16-E204 PolarHBondContact NH1-OE2 2.98Å; R16-E204 IonicContact NH2-OE2 3.36Å
17L95.8Very high92.2Very high4 Ų479.7 Ų79.72%0.02138%0.376CS..SBendtrans-60.4149.5177.5-67.9172.6000112.4V13 I14 Y21 K22 W188 L193 A196 Q200V13-L17 PolarHBondContact O-N 3.32Å; I14-L17 HydrophobicContact CB-CD1 4.42Å; I14-L17 HydrophobicContact CG1-CD1 4.42Å; I14-L17 HydrophobicContact CG2-CD1 4.37Å; I14-L17 WeakPolarHBondContact O-CB 3.47Å; I14-L17 PolarHBondContact O-N 2.93Å; L17-Y21 HydrophobicContact CB-CD1 4.39Å; L17-Y21 HydrophobicContact CD1-CD1 4.08Å; L17-Y21 HydrophobicContact CD1-CE1 3.93Å; L17-K22 HydrophobicContact CB-CG 4.33Å; L17-K22 WeakPolarHBondContact O-CE 3.49Å; L17-K22 PolarHBondContact O-NZ 3.36Å; L17-K22 VanDerWaalsContact O-NZ 3.07Å; L17-W188 HydrophobicContact CD2-CH2 4.12Å; L17-W188 HydrophobicContact CD2-CZ3 3.68Å; L17-L193 HydrophobicContact CD1-CD1 4.15Å; L17-A196 HydrophobicContact CD1-CB 4.44Å; L17-A196 HydrophobicContact CD2-CB 4.06Å; L17-Q200 HydrophobicContact CD2-CB 3.79Å; L17-Q200 HydrophobicContact CD2-CG 4.22Å
18P96.5Very high92.6Very high23 Ų2374.5 Ų74.515%0.14936%0.357CS..  trans-57.3145.9179.2-26.334.4000114H20 Y21 K22 W188P18-H20 WeakPolarHBondContact CB-CE1 3.28Å; P18-H20 PolarHBondContact O-N 3.43Å; P18-Y21 PolarHBondContact O-N 3.24Å; P18-K22 PolarHBondContact O-N 3.5Å; P18-K22 VanDerWaalsContact O-N 3.16Å; P18-W188 HydrophobicContact CG-CD2 3.92Å; P18-W188 HydrophobicContact CG-CE3 4.31Å; P18-W188 HydrophobicContact CG-CG 4.5Å; P18-W188 HydrophobicContact CG-CH2 4.02Å; P18-W188 HydrophobicContact CG-CZ2 3.58Å; P18-W188 HydrophobicContact CG-CZ3 4.37Å
19P96.1Very high92.6Very high104 Ų10472.7 Ų72.768%0.67535%0.345SS*.Hα-helixtrans-65.3-37.6-176.125.4-33.8000112.8Y21 K22 K23P19-Y21 VanDerWaalsContact C-N 3.34Å; P19-Y21 PolarHBondContact O-N 3Å; P19-K22 PolarHBondContact O-N 2.99Å; P19-K23 WeakPolarHBondContact O-CB 3.47Å; P19-K23 PolarHBondContact O-N 3.22Å
20H95.7Very high92.6Very high52 Ų5269 Ų6924%0.24133%0.334CS..Hα-helixtrans-62.9-40.7177.558.2-100.5000111.5P18 R24 E185 W188P18-H20 WeakPolarHBondContact CB-CE1 3.28Å; P18-H20 PolarHBondContact O-N 3.43Å; H20-R24 WeakPolarHBondContact O-CB 3.27Å; H20-R24 PolarHBondContact O-N 3.04Å; H20-R24 VanDerWaalsContact O-N 3.12Å; H20-E185 HydrophobicContact CB-CG 4.38Å; H20-W188 AromaticContact NE2-CD1 3.61Å; H20-W188 AromaticContact NE2-CG 3.76Å
21Y96.1Very high92.3Very high3 Ų370.4 Ų70.41%0.01234%0.341CS..Hα-helixtrans-63.4-47176176.4-94.1000111.2L17 P18 P19 R24 Y25 W188 L191 T192 L193 A196L17-Y21 HydrophobicContact CB-CD1 4.39Å; L17-Y21 HydrophobicContact CD1-CD1 4.08Å; L17-Y21 HydrophobicContact CD1-CE1 3.93Å; P18-Y21 PolarHBondContact O-N 3.24Å; P19-Y21 VanDerWaalsContact C-N 3.34Å; P19-Y21 PolarHBondContact O-N 3Å; Y21-R24 PolarHBondContact O-N 3.44Å; Y21-Y25 VanDerWaalsContact O-CB 3.3Å; Y21-Y25 WeakPolarHBondContact O-CB 3.46Å; Y21-Y25 PolarHBondContact O-N 3.04Å; Y21-W188 HydrophobicContact CD2-CB 4.12Å; Y21-W188 HydrophobicContact CD2-CE3 4.21Å; Y21-W188 HydrophobicContact CG-CE3 4.22Å; Y21-L191 HydrophobicContact CE2-CB 4.21Å; Y21-L191 PolarHBondContact OH-O 2.59Å; Y21-T192 VanDerWaalsContact OH-C 3.3Å; Y21-T192 PolarHBondContact OH-O 2.9Å; Y21-L193 HydrophobicContact CE1-CD1 4.47Å; Y21-L193 WeakPolarHBondContact OH-CA 3.23Å; Y21-L193 PolarHBondContact OH-N 3.39Å; Y21-A196 HydrophobicContact CD1-CB 4.34Å; Y21-A196 HydrophobicContact CE1-CB 3.63Å; Y21-A196 HydrophobicContact CE2-CB 3.88Å; Y21-A196 WeakPolarHBondContact OH-CB 3.22Å
22K94.8Very high92Very high69 Ų6966.9 Ų66.930%0.333%0.327SS..Hα-helixtrans-60.5-48.9178.4-69.8174.4-178.5161.40112.2I14 N15 L17 P18 P19 R24 Y25 L26I14-K22 WeakPolarHBondContact O-CE 3.41Å; N15-K22 PolarHBondContact O-NZ 3.41Å; L17-K22 HydrophobicContact CB-CG 4.33Å; L17-K22 WeakPolarHBondContact O-CE 3.49Å; L17-K22 PolarHBondContact O-NZ 3.36Å; L17-K22 VanDerWaalsContact O-NZ 3.07Å; P18-K22 PolarHBondContact O-N 3.5Å; P18-K22 VanDerWaalsContact O-N 3.16Å; P19-K22 PolarHBondContact O-N 2.99Å; K22-R24 VanDerWaalsContact C-N 3.31Å; K22-R24 PolarHBondContact O-N 3.28Å; K22-Y25 PolarHBondContact O-N 3.34Å; K22-L26 WeakPolarHBondContact O-CG 3.29Å; K22-L26 PolarHBondContact O-N 3.04Å
23K94.8Very high91Very high160 Ų16063.4 Ų63.470%0.69632%0.319SS*.Hα-helixtrans-56-48.5179.8-179.3-179.7178-177.60110.8P19 L26 Q27P19-K23 WeakPolarHBondContact O-CB 3.47Å; P19-K23 PolarHBondContact O-N 3.22Å; K23-L26 PolarHBondContact O-N 3.44Å; K23-Q27 PolarHBondContact O-N 3.43Å
24R93.2Very high89.8Confident41 Ų4168.4 Ų68.416%0.15535%0.345CS..Hα-helixtrans-71.7-37.1-178.6-174.4-174.162142.911.3113.1H20 Y21 K22 L26 Q27 N28 E141 W188 I189H20-R24 WeakPolarHBondContact O-CB 3.27Å; H20-R24 PolarHBondContact O-N 3.04Å; H20-R24 VanDerWaalsContact O-N 3.12Å; Y21-R24 PolarHBondContact O-N 3.44Å; K22-R24 VanDerWaalsContact C-N 3.31Å; K22-R24 PolarHBondContact O-N 3.28Å; R24-L26 VanDerWaalsContact C-N 3.31Å; R24-L26 PolarHBondContact O-N 2.92Å; R24-Q27 PolarHBondContact O-N 2.93Å; R24-N28 WeakPolarHBondContact O-CB 3.21Å; R24-N28 PolarHBondContact O-N 3.18Å; R24-E141 IonicContact CZ-OE1 3.34Å; R24-E141 VanDerWaalsContact CZ-OE1 3.23Å; R24-E141 IonicContact CZ-OE2 3.24Å; R24-E141 IonicContact NE-OE1 4Å; R24-E141 IonicContact NH1-OE1 2.92Å; R24-E141 PolarHBondContact NH1-OE1 2.9Å; R24-E141 IonicContact NH2-OE1 3.7Å; R24-W188 PolarHBondContact NH2-O 3.07Å; R24-I189 VanDerWaalsContact NH1-CB 3.31Å; R24-I189 VanDerWaalsContact NH1-CG2 3.28Å
25Y93Very high88.5Confident65 Ų6570.5 Ų70.526%0.25536%0.355SS..Hα-helixtrans-57.6-47.2172.4178.8-91.7000110.5Y21 K22 N28 Q29 L193Y21-Y25 VanDerWaalsContact O-CB 3.3Å; Y21-Y25 WeakPolarHBondContact O-CB 3.46Å; Y21-Y25 PolarHBondContact O-N 3.04Å; K22-Y25 PolarHBondContact O-N 3.34Å; Y25-N28 PolarHBondContact O-N 2.79Å; Y25-Q29 HydrophobicContact CD1-CG 4.27Å; Y25-Q29 HydrophobicContact CE1-CG 3.9Å; Y25-Q29 WeakPolarHBondContact O-CG 3.47Å; Y25-Q29 PolarHBondContact O-N 2.95Å; Y25-L193 HydrophobicContact CE2-CB 4.12Å
26L92.5Very high86.9Confident110 Ų11073.3 Ų73.358%0.57636%0.357SS*.Hα-helixtrans-62.3-44.8175.8-68.1173.1000111.9K22 K23 R24 N28 Q29 C30K22-L26 WeakPolarHBondContact O-CG 3.29Å; K22-L26 PolarHBondContact O-N 3.04Å; K23-L26 PolarHBondContact O-N 3.44Å; R24-L26 VanDerWaalsContact C-N 3.31Å; R24-L26 PolarHBondContact O-N 2.92Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 3.05Å; L26-Q29 PolarHBondContact O-N 2.9Å; L26-C30 PolarHBondContact O-N 3.27Å; L26-C30 PolarHBondContact O-SG 3.1Å
27Q92.5Very high85.2Confident102 Ų10271.6 Ų71.648%0.47736%0.36SS..Hα-helixtrans-58.2-45.4176.5-177.8178.5-9.800112K23 R24 Q29 C30 E31K23-Q27 PolarHBondContact O-N 3.43Å; R24-Q27 PolarHBondContact O-N 2.93Å; Q27-Q29 VanDerWaalsContact C-N 3.35Å; Q27-Q29 PolarHBondContact O-N 3.48Å; Q27-C30 WeakPolarHBondContact O-CB 3.09Å; Q27-C30 PolarHBondContact O-N 3.4Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.46Å; Q27-E31 PolarHBondContact NE2-OE1 2.96Å; Q27-E31 WeakPolarHBondContact O-CG 3.3Å; Q27-E31 PolarHBondContact O-N 3.26Å
28N90.1Very high83.3Confident28 Ų2873.6 Ų73.615%0.1537%0.373CS..Hα-helixtrans-63.4-40.6178.3-168.75.2000111.4R24 Y25 L26 C30 E31 L32 E141 S142R24-N28 WeakPolarHBondContact O-CB 3.21Å; R24-N28 PolarHBondContact O-N 3.18Å; Y25-N28 PolarHBondContact O-N 2.79Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 3.05Å; N28-C30 PolarHBondContact O-N 2.81Å; N28-E31 PolarHBondContact O-N 3.41Å; N28-L32 WeakPolarHBondContact O-CB 3.29Å; N28-L32 VanDerWaalsContact O-CG 3.27Å; N28-L32 WeakPolarHBondContact O-CG 3.36Å; N28-L32 PolarHBondContact O-N 2.93Å; N28-E141 WeakPolarHBondContact ND2-CB 3.44Å; N28-E141 PolarHBondContact ND2-OE2 3.05Å; N28-S142 VanDerWaalsContact OD1-CA 3.25Å; N28-S142 WeakPolarHBondContact OD1-CA 3.28Å; N28-S142 VanDerWaalsContact OD1-CB 3.3Å; N28-S142 WeakPolarHBondContact OD1-CB 3.49Å; N28-S142 PolarHBondContact OD1-N 3.25Å
29Q86.8Confident81.5Confident86 Ų8680.2 Ų80.240%0.40241%0.408SS..Hα-helixtrans-63.4-39.6173.3-65.2-59.1-35.400112.4Y25 L26 Q27 A33Y25-Q29 HydrophobicContact CD1-CG 4.27Å; Y25-Q29 HydrophobicContact CE1-CG 3.9Å; Y25-Q29 WeakPolarHBondContact O-CG 3.47Å; Y25-Q29 PolarHBondContact O-N 2.95Å; L26-Q29 PolarHBondContact O-N 2.9Å; Q27-Q29 VanDerWaalsContact C-N 3.35Å; Q27-Q29 PolarHBondContact O-N 3.48Å; Q29-A33 WeakPolarHBondContact O-CB 3.24Å; Q29-A33 PolarHBondContact O-N 2.66Å
30C84.5Confident79.8Confident72 Ų7278.2 Ų78.249%0.48640%0.396SS..Hα-helixtrans-65-43.7174.9-69.70000111.9L26 Q27 N28 L32 A33 N34L26-C30 PolarHBondContact O-N 3.27Å; L26-C30 PolarHBondContact O-SG 3.1Å; Q27-C30 WeakPolarHBondContact O-CB 3.09Å; Q27-C30 PolarHBondContact O-N 3.4Å; N28-C30 PolarHBondContact O-N 2.81Å; C30-L32 PolarHBondContact O-N 3.26Å; C30-A33 WeakPolarHBondContact O-CB 3.42Å; C30-A33 PolarHBondContact O-N 2.86Å; C30-A33 VanDerWaalsContact O-N 3.13Å; C30-N34 WeakPolarHBondContact O-CB 3.32Å; C30-N34 PolarHBondContact O-N 3.49Å; C30-N34 PolarHBondContact O-OD1 3.42Å
31E83.7Confident78.3Confident59 Ų5976 Ų7628%0.27639%0.386SS..Hα-helixtrans-61.2-44.8176.4-73.9174.4-165.900111.4Q27 N28 A33 N34 E35 S142Q27-E31 WeakPolarHBondContact CG-OE1 3.46Å; Q27-E31 PolarHBondContact NE2-OE1 2.96Å; Q27-E31 WeakPolarHBondContact O-CG 3.3Å; Q27-E31 PolarHBondContact O-N 3.26Å; N28-E31 PolarHBondContact O-N 3.41Å; E31-A33 PolarHBondContact O-N 3.32Å; E31-N34 PolarHBondContact O-N 2.81Å; E31-E35 PolarHBondContact O-N 2.8Å; E31-S142 WeakPolarHBondContact OE2-CB 3.12Å; E31-S142 PolarHBondContact OE2-OG 3.13Å
32L81.1Confident77.1Confident51 Ų5180.7 Ų80.727%0.26741%0.411SS..Hα-helixtrans-63.1-29.9174.6-71.8169.2000112.9N28 C30 R36N28-L32 WeakPolarHBondContact O-CB 3.29Å; N28-L32 VanDerWaalsContact O-CG 3.27Å; N28-L32 WeakPolarHBondContact O-CG 3.36Å; N28-L32 PolarHBondContact O-N 2.93Å; C30-L32 PolarHBondContact O-N 3.26Å; L32-R36 WeakPolarHBondContact O-CG 3.39Å
33A72.2Confident76.1Confident45 Ų4582.5 Ų82.537%0.37242%0.423SS..Hα-helixtrans-76.4-40.1174.100000111.7Q29 C30 E31 R36Q29-A33 WeakPolarHBondContact O-CB 3.24Å; Q29-A33 PolarHBondContact O-N 2.66Å; C30-A33 WeakPolarHBondContact O-CB 3.42Å; C30-A33 PolarHBondContact O-N 2.86Å; C30-A33 VanDerWaalsContact O-N 3.13Å; E31-A33 PolarHBondContact O-N 3.32Å; A33-R36 WeakPolarHBondContact O-CA 3.49Å; A33-R36 VanDerWaalsContact O-CB 3.26Å; A33-R36 WeakPolarHBondContact O-CB 3.36Å; A33-R36 PolarHBondContact O-N 2.96Å
34N66.2Low75.3Confident108 Ų10882.3 Ų82.358%0.57842%0.422SS*.Hα-helixtrans-69.3-32.9179-69.5-11.9000112.4C30 E31 R36 V37C30-N34 WeakPolarHBondContact O-CB 3.32Å; C30-N34 PolarHBondContact O-N 3.49Å; C30-N34 PolarHBondContact O-OD1 3.42Å; E31-N34 PolarHBondContact O-N 2.81Å; N34-R36 PolarHBondContact O-N 2.73Å; N34-V37 CarbonylContact O-C 3.54Å; N34-V37 PolarHBondContact O-N 3.36Å
35E66.2Low74.6Confident74 Ų7482 Ų8235%0.34643%0.427SS..THydrogen-bonded Turntrans-55.7-21167.9-77.2-171.3177.800112.1E31 K145E31-E35 PolarHBondContact O-N 2.8Å; E35-K145 WeakPolarHBondContact OE2-CE 2.9Å; E35-K145 IonicContact OE2-NZ 2.6Å; E35-K145 PolarHBondContact OE2-NZ 3.42Å
36R59.8Low74Confident167 Ų16788.9 Ų88.963%0.6346%0.461SS*.THydrogen-bonded Turntrans-92.2-7.6176.5-44.2-178.1175.4159-0.2115.6L32 A33 N34 P59L32-R36 WeakPolarHBondContact O-CG 3.39Å; A33-R36 WeakPolarHBondContact O-CA 3.49Å; A33-R36 VanDerWaalsContact O-CB 3.26Å; A33-R36 WeakPolarHBondContact O-CB 3.36Å; A33-R36 PolarHBondContact O-N 2.96Å; N34-R36 PolarHBondContact O-N 2.73Å; R36-P59 VanDerWaalsContact CA-CD 3.47Å; R36-P59 VanDerWaalsContact CA-CG 3.47Å; R36-P59 HydrophobicContact CB-CG 3.64Å; R36-P59 HydrophobicContact CG-CG 3.85Å; R36-P59 WeakPolarHBondContact O-CD 3.43Å
37V58.7Low73.4Confident81 Ų8188.7 Ų88.749%0.49147%0.465SS..SBendtrans-117.3100.5-179.5-175.80000107.1N34N34-V37 CarbonylContact O-C 3.54Å; N34-V37 PolarHBondContact O-N 3.36Å
38C55.6Low72.8Confident46 Ų4686.2 Ų86.231%0.31147%0.467SS..  trans-70.5134.4174.5-66.40000110.5S40 S41 D57C38-S40 PolarHBondContact O-N 2.81Å; C38-S41 PolarHBondContact O-N 3.1Å; C38-S41 PolarHBondContact O-OG 2.88Å; C38-D57 HydrophobicContact CB-CB 3.59Å
39N58.3Low72.4Confident162 Ų16290 Ų9087%0.86649%0.487SS*.G310 helixtrans-62.2-10.3-178.4-66.7-23000114.5S41N39-S41 PolarHBondContact O-N 3.43Å; N39-S41 VanDerWaalsContact O-N 3.1Å
40S60.6Low72Confident61 Ų6191.9 Ų91.943%0.42749%0.494SS..G310 helixtrans-63.4-10.317851.10000113.7C38 D57C38-S40 PolarHBondContact O-N 2.81Å; S40-D57 WeakPolarHBondContact CB-OD2 3.49Å; S40-D57 PolarHBondContact OG-OD2 3.39Å
41S63.8Low71.7Confident6 Ų692.6 Ų92.64%0.04249%0.492CS..G310 helixtrans-96.110.6-162.850.40000116.5C38 N39 P52 S53C38-S41 PolarHBondContact O-N 3.1Å; C38-S41 PolarHBondContact O-OG 2.88Å; N39-S41 PolarHBondContact O-N 3.43Å; N39-S41 VanDerWaalsContact O-N 3.1Å; S41-P52 CarbonylContact O-C 3.54Å; S41-P52 WeakPolarHBondContact O-CA 3.13Å; S41-S53 WeakPolarHBondContact CA-OG 3.37Å; S41-S53 PolarHBondContact O-N 3.29Å; S41-S53 PolarHBondContact O-OG 2.88Å
42L71.5Confident71.4Confident102 Ų10293.6 Ų93.653%0.53450%0.504SS..EExtended strand (participates in β ladder)trans-118116.1174.6-63.6177.8000110.4F50L42-F50 HydrophobicContact CB-CB 4.39Å; L42-F50 HydrophobicContact CB-CD1 4.07Å
43L73.2Confident71.2Confident106 Ų10691.4 Ų91.456%0.55549%0.493SS*.EExtended strand (participates in β ladder)trans-89.2135.9172.9-66.6170000109.5S45 F50 I51L43-S45 PolarHBondContact O-N 3.49Å; L43-F50 CarbonylContact O-C 3.59Å; L43-F50 WeakPolarHBondContact O-CA 3.21Å; L43-I51 PolarHBondContact N-O 3.42Å; L43-I51 PolarHBondContact O-N 2.83Å
44K78.4Confident71.5Confident156 Ų15695.3 Ų95.368%0.67852%0.517SS*.EExtended strand (participates in β ladder)trans-78.3121.7168.9-72.9179.8177.5178.70109.1F50K44-F50 HydrophobicContact CD-CE1 3.93Å; K44-F50 HydrophobicContact CD-CZ 4.12Å; K44-F50 HydrophobicContact CG-CD1 3.63Å; K44-F50 HydrophobicContact CG-CE1 3.3Å; K44-F50 HydrophobicContact CG-CG 4.43Å; K44-F50 HydrophobicContact CG-CZ 3.86Å
45S78.5Confident72Confident36 Ų3697.7 Ų97.725%0.25252%0.519SS..PPolyproline II helixtrans-67.6156.7167.1-174.60000110.6L43 T47 G48 N49L43-S45 PolarHBondContact O-N 3.49Å; S45-T47 WeakPolarHBondContact CB-OG1 3.36Å; S45-T47 PolarHBondContact O-N 3.05Å; S45-T47 VanDerWaalsContact O-N 3.17Å; S45-T47 PolarHBondContact OG-N 2.88Å; S45-T47 PolarHBondContact OG-OG1 2.96Å; S45-G48 PolarHBondContact O-N 3.03Å; S45-N49 WeakPolarHBondContact CB-O 3.46Å; S45-N49 PolarHBondContact N-O 2.92Å
46E79.2Confident72.4Confident209 Ų20999.7 Ų99.798%0.97753%0.527SS*.THydrogen-bonded Turntrans-56.4-26.4169.4-61.7178.117400112.4G48E46-G48 PolarHBondContact O-N 3.21Å
47T81Confident73.1Confident105 Ų10595.3 Ų95.364%0.64452%0.516SS*.THydrogen-bonded Turntrans-78.80.517555.70000114.4S45 N49S45-T47 WeakPolarHBondContact CB-OG1 3.36Å; S45-T47 PolarHBondContact O-N 3.05Å; S45-T47 VanDerWaalsContact O-N 3.17Å; S45-T47 PolarHBondContact OG-N 2.88Å; S45-T47 PolarHBondContact OG-OG1 2.96Å; T47-N49 VanDerWaalsContact C-N 3.25Å; T47-N49 PolarHBondContact O-N 3.3Å
48G80.6Confident73.9Confident51 Ų5197 Ų9753%0.52653%0.527SS..SBendtrans82.9-8.7-176.100000114.7S45 E46S45-G48 PolarHBondContact O-N 3.03Å; E46-G48 PolarHBondContact O-N 3.21Å
49N81.6Confident75.1Confident108 Ų10897.3 Ų97.358%0.57853%0.529SS*.  trans-75.5139.5176.8-67.5-33.1000111.5S45 T47S45-N49 WeakPolarHBondContact CB-O 3.46Å; S45-N49 PolarHBondContact N-O 2.92Å; T47-N49 VanDerWaalsContact C-N 3.25Å; T47-N49 PolarHBondContact O-N 3.3Å
50F78.5Confident76.3Confident124 Ų12496 Ų9654%0.54452%0.519SS..EExtended strand (participates in β ladder)trans-82.5121.5171.6-69.7-89.9000110L42 L43 K44L42-F50 HydrophobicContact CB-CB 4.39Å; L42-F50 HydrophobicContact CB-CD1 4.07Å; L43-F50 CarbonylContact O-C 3.59Å; L43-F50 WeakPolarHBondContact O-CA 3.21Å; K44-F50 HydrophobicContact CD-CE1 3.93Å; K44-F50 HydrophobicContact CD-CZ 4.12Å; K44-F50 HydrophobicContact CG-CD1 3.63Å; K44-F50 HydrophobicContact CG-CE1 3.3Å; K44-F50 HydrophobicContact CG-CG 4.43Å; K44-F50 HydrophobicContact CG-CZ 3.86Å
51I78.1Confident77.6Confident87 Ų87102 Ų10245%0.44654%0.537SS..EExtended strand (participates in β ladder)trans-107.3136.2177-54.4174.5000107.4L43 S53L43-I51 PolarHBondContact N-O 3.42Å; L43-I51 PolarHBondContact O-N 2.83Å; I51-S53 PolarHBondContact O-N 3.38Å
52P76.5Confident78.9Confident80 Ų80104.7 Ų104.752%0.51955%0.55SS.*EExtended strand (participates in β ladder)trans-58.4134.6171.623.9-32.7000111S41 F56S41-P52 CarbonylContact O-C 3.54Å; S41-P52 WeakPolarHBondContact O-CA 3.13Å; P52-F56 HydrophobicContact CB-CE1 4.07Å; P52-F56 HydrophobicContact CB-CZ 3.83Å
53S76Confident80Confident6 Ų6102.7 Ų102.74%0.04254%0.543CS..  trans-65.5158.1172.551.30000111.1S41 I51 Y55S41-S53 WeakPolarHBondContact CA-OG 3.37Å; S41-S53 PolarHBondContact O-N 3.29Å; S41-S53 PolarHBondContact O-OG 2.88Å; I51-S53 PolarHBondContact O-N 3.38Å; S53-Y55 PolarHBondContact O-N 3.27Å; S53-Y55 VanDerWaalsContact O-N 3.13Å; S53-Y55 PolarHBondContact OG-O 3.3Å
54S80.1Confident81Confident126 Ų126100.7 Ų100.788%0.88153%0.528SS*.SBendtrans-62.6-18.3177.1-176.50000113.8
55Y75.8Confident81.8Confident158 Ų15894.5 Ų94.562%0.6250%0.504SS*.  trans-131.3151.617860.8-89.4000110.3S53S53-Y55 PolarHBondContact O-N 3.27Å; S53-Y55 VanDerWaalsContact O-N 3.13Å; S53-Y55 PolarHBondContact OG-O 3.3Å
56F75.6Confident82.6Confident117 Ų11797.3 Ų97.351%0.51352%0.521SS..  trans-125.1131.6175.9-56.3-92.5000108.2P52 T58P52-F56 HydrophobicContact CB-CE1 4.07Å; P52-F56 HydrophobicContact CB-CZ 3.83Å; F56-T58 PolarHBondContact O-N 2.63Å
57D72.7Confident83.4Confident74 Ų7493 Ų9340%0.39650%0.501SS..  trans-71.2125.7170.2-45.9-41.5000108.1C38 S40C38-D57 HydrophobicContact CB-CB 3.59Å; S40-D57 WeakPolarHBondContact CB-OD2 3.49Å; S40-D57 PolarHBondContact OG-OD2 3.39Å
58T76.9Confident84Confident117 Ų11788 Ų8872%0.71847%0.471SS*.  trans-105.3135.317637.40000108.6F56F56-T58 PolarHBondContact O-N 2.63Å
59P80.8Confident84.7Confident53 Ų5388.4 Ų88.434%0.34446%0.459SS..  trans-66.4154.5-178.734.7-43.7000109.8R36 K61R36-P59 VanDerWaalsContact CA-CD 3.47Å; R36-P59 VanDerWaalsContact CA-CG 3.47Å; R36-P59 HydrophobicContact CB-CG 3.64Å; R36-P59 HydrophobicContact CG-CG 3.85Å; R36-P59 WeakPolarHBondContact O-CD 3.43Å; P59-K61 PolarHBondContact O-N 3.5Å
60M83.8Confident85.4Confident133 Ų13391 Ų9166%0.65547%0.465SS*.  trans-62.7139.8170-67.2-172.6-7000110.5I62 I79M60-I62 PolarHBondContact O-N 2.87Å; M60-I62 VanDerWaalsContact O-N 3.14Å; M60-I79 HydrophobicContact CE-CD1 4.14Å; M60-I79 HydrophobicContact SD-CD1 4.48Å
61K87.5Confident86.2Confident187 Ų18785.5 Ų85.581%0.81344%0.442SS*.  trans-73106.2173.1-66-178.2-176.5176.30108.8P59P59-K61 PolarHBondContact O-N 3.5Å
62I91.1Very high87.1Confident63 Ų6381.4 Ų81.432%0.32342%0.421SS..EExtended strand (participates in β ladder)trans-97.5128.5175.7-55.8167.1000108.5M60 Y64 G77 I79M60-I62 PolarHBondContact O-N 2.87Å; M60-I62 VanDerWaalsContact O-N 3.14Å; I62-Y64 HydrophobicContact CB-CE2 4Å; I62-Y64 HydrophobicContact CG2-CD2 4.3Å; I62-Y64 HydrophobicContact CG2-CE1 4.2Å; I62-Y64 HydrophobicContact CG2-CE2 3.64Å; I62-G77 VanDerWaalsContact CG2-CA 3.42Å; I62-I79 HydrophobicContact CG1-CG1 4.44Å
63V93.4Very high88Confident61 Ų6178.3 Ų78.337%0.3740%0.399SS..EExtended strand (participates in β ladder)trans-99.2127.4176.8-1790000109.2I78V63-I78 HydrophobicContact CB-CB 4.33Å; V63-I78 PolarHBondContact N-O 3.48Å; V63-I78 WeakPolarHBondContact O-CB 3.41Å; V63-I78 PolarHBondContact O-N 3.15Å
64Y94.2Very high88.7Confident63 Ų6378.4 Ų78.425%0.24740%0.4CS..  trans-108.6106.4176-65.6-84.3000108.9I62 W73 G75 E76 K145I62-Y64 HydrophobicContact CB-CE2 4Å; I62-Y64 HydrophobicContact CG2-CD2 4.3Å; I62-Y64 HydrophobicContact CG2-CE1 4.2Å; I62-Y64 HydrophobicContact CG2-CE2 3.64Å; Y64-W73 HydrophobicContact CD1-CE3 4.32Å; Y64-G75 PolarHBondContact OH-O 3.28Å; Y64-E76 WeakPolarHBondContact CE1-O 3.31Å; Y64-K145 HydrophobicContact CE1-CB 4.15Å; Y64-K145 HydrophobicContact CE1-CD 4.12Å; Y64-K145 HydrophobicContact CE2-CD 3.95Å; Y64-K145 VanDerWaalsContact CZ-CD 3.48Å; Y64-K145 WeakPolarHBondContact OH-CD 3.41Å
65P95.4Very high89.2Confident27 Ų2773.5 Ų73.518%0.17537%0.37CS..  trans-72161.7177.835.3-39.3000110.6E67 S68 W73 I78P65-E67 WeakPolarHBondContact CB-OE2 3.06Å; P65-E67 PolarHBondContact O-N 3.05Å; P65-E67 VanDerWaalsContact O-N 3.14Å; P65-S68 VanDerWaalsContact O-CB 3.31Å; P65-S68 WeakPolarHBondContact O-CB 3.41Å; P65-S68 PolarHBondContact O-N 3.3Å; P65-S68 PolarHBondContact O-OG 3.23Å; P65-W73 HydrophobicContact CG-CH2 3.48Å; P65-W73 VanDerWaalsContact CG-CH2 3.48Å; P65-W73 HydrophobicContact CG-CZ2 4.25Å; P65-W73 HydrophobicContact CG-CZ3 4.1Å; P65-I78 HydrophobicContact CB-CD1 4.44Å; P65-I78 HydrophobicContact CG-CD1 3.83Å
66P95.8Very high90Very high95 Ų9568.8 Ų68.862%0.61735%0.353SS*.G310 helixtrans-59.5-27.8-176.723.7-33.2000113.6S68 Q69P66-S68 VanDerWaalsContact C-N 3.3Å; P66-S68 PolarHBondContact O-N 2.93Å; P66-Q69 WeakPolarHBondContact O-CB 3.47Å; P66-Q69 PolarHBondContact O-N 3.27Å
67E95.2Very high90.9Very high117 Ų11763.7 Ų63.755%0.54733%0.334SS..G310 helixtrans-62.8-36.1174.9-61.974.2-161.400111.7P65 Q69 K70 C71P65-E67 WeakPolarHBondContact CB-OE2 3.06Å; P65-E67 PolarHBondContact O-N 3.05Å; P65-E67 VanDerWaalsContact O-N 3.14Å; E67-Q69 PolarHBondContact O-N 3.17Å; E67-Q69 VanDerWaalsContact O-N 3.14Å; E67-K70 PolarHBondContact O-N 3.38Å; E67-C71 PolarHBondContact O-SG 3.34Å
68S94.6Very high92Very high2 Ų261.9 Ų61.91%0.01432%0.324CS..G310 helixtrans-59.1-28.5177.270.50000112.4P65 P66 K70 C71P65-S68 VanDerWaalsContact O-CB 3.31Å; P65-S68 WeakPolarHBondContact O-CB 3.41Å; P65-S68 PolarHBondContact O-N 3.3Å; P65-S68 PolarHBondContact O-OG 3.23Å; P66-S68 VanDerWaalsContact C-N 3.3Å; P66-S68 PolarHBondContact O-N 2.93Å; S68-K70 PolarHBondContact O-N 3.07Å; S68-C71 PolarHBondContact O-N 2.95Å; S68-C71 VanDerWaalsContact O-N 3.13Å; S68-C71 VanDerWaalsContact O-O 3.1Å
69Q95.2Very high92.8Very high58 Ų5858.6 Ų58.627%0.27130%0.301SS..G310 helixtrans-71.9-19.2-179.9-55.9-53.4-45.800112.7P66 E67 R147 L148P66-Q69 WeakPolarHBondContact O-CB 3.47Å; P66-Q69 PolarHBondContact O-N 3.27Å; E67-Q69 PolarHBondContact O-N 3.17Å; E67-Q69 VanDerWaalsContact O-N 3.14Å; Q69-R147 HydrophobicContact CB-CB 4.04Å; Q69-R147 HydrophobicContact CB-CG 3.81Å; Q69-R147 HydrophobicContact CG-CG 4.2Å; Q69-R147 WeakPolarHBondContact O-CB 3.4Å; Q69-R147 PolarHBondContact O-N 2.97Å; Q69-R147 VanDerWaalsContact OE1-CG 3.31Å; Q69-L148 PolarHBondContact O-N 3.49Å
70K96Very high93.4Very high164 Ų16462 Ų6271%0.71331%0.313SS*.G310 helixtrans-93.5-2.7174.2-58.6178.4-178175.60112.8E67 S68 L148E67-K70 PolarHBondContact O-N 3.38Å; S68-K70 PolarHBondContact O-N 3.07Å; K70-L148 WeakPolarHBondContact O-CD1 3.5Å
71C96Very high93.8Very high8 Ų856.9 Ų56.95%0.05429%0.294CS..SBendtrans-122.2176.2-173.4-54.80000110.5E67 S68 I117 S146E67-C71 PolarHBondContact O-SG 3.34Å; S68-C71 PolarHBondContact O-N 2.95Å; S68-C71 VanDerWaalsContact O-N 3.13Å; S68-C71 VanDerWaalsContact O-O 3.1Å; C71-I117 HydrophobicContact CB-CB 4.13Å; C71-I117 HydrophobicContact CB-CG2 4.38Å; C71-I117 WeakPolarHBondContact CB-O 3.26Å; C71-S146 VanDerWaalsContact O-CB 3.24Å; C71-S146 WeakPolarHBondContact O-CB 3.42Å; C71-S146 PolarHBondContact O-OG 2.84Å
72L96.2Very high94Very high1 Ų155.8 Ų55.81%0.00529%0.286CS..BIsolated β-bridgetrans-118.696.5171.5-66.1173.9000110.4I116 I117 V118 A122 F132 I136 L144 L148L72-I116 HydrophobicContact CB-CG2 4.3Å; L72-I116 HydrophobicContact CD1-CD1 4.16Å; L72-I116 HydrophobicContact CD1-CG2 3.99Å; L72-I116 HydrophobicContact CG-CG2 3.95Å; L72-I117 PolarHBondContact N-O 2.89Å; L72-V118 HydrophobicContact CB-CG1 4.18Å; L72-V118 WeakPolarHBondContact O-CA 3.45Å; L72-A122 VanDerWaalsContact O-CB 3.31Å; L72-A122 WeakPolarHBondContact O-CB 3.27Å; L72-F132 HydrophobicContact CD1-CE2 3.67Å; L72-F132 HydrophobicContact CD1-CZ 4.16Å; L72-I136 HydrophobicContact CD1-CD1 4.15Å; L72-I136 HydrophobicContact CD2-CD1 4.31Å; L72-L144 HydrophobicContact CD2-CD1 4.32Å; L72-L148 HydrophobicContact CD1-CD2 4.42Å; L72-L148 HydrophobicContact CD2-CD2 4.2Å; L72-L148 HydrophobicContact CG-CD2 4.07Å
73W95.1Very high94Very high15 Ų1559.2 Ų59.26%0.05730%0.295CS..  trans-89.8-5.1-176.8-68.16.6000114.5Y64 P65 G75 E76 I78 P98 L100 T119Y64-W73 HydrophobicContact CD1-CE3 4.32Å; P65-W73 HydrophobicContact CG-CH2 3.48Å; P65-W73 VanDerWaalsContact CG-CH2 3.48Å; P65-W73 HydrophobicContact CG-CZ2 4.25Å; P65-W73 HydrophobicContact CG-CZ3 4.1Å; W73-G75 PolarHBondContact O-N 3.02Å; W73-E76 WeakPolarHBondContact CB-O 3.49Å; W73-E76 WeakPolarHBondContact O-CB 3.43Å; W73-E76 PolarHBondContact O-N 3.08Å; W73-E76 VanDerWaalsContact O-N 3.11Å; W73-I78 HydrophobicContact CH2-CD1 4.47Å; W73-I78 HydrophobicContact CH2-CG1 4.28Å; W73-I78 HydrophobicContact CZ3-CG1 4.25Å; W73-P98 HydrophobicContact CD2-CG 4.32Å; W73-P98 HydrophobicContact CE3-CG 4.14Å; W73-P98 HydrophobicContact CH2-CG 4.2Å; W73-P98 HydrophobicContact CZ2-CG 4.44Å; W73-P98 HydrophobicContact CZ3-CG 4.06Å; W73-L100 HydrophobicContact CZ2-CD1 4.13Å; W73-L100 HydrophobicContact CZ2-CD2 4.13Å; W73-T119 VanDerWaalsContact C-OG1 3.32Å; W73-T119 HydrophobicContact CB-CG2 4.12Å; W73-T119 HydrophobicContact CG-CG2 4.18Å; W73-T119 PolarHBondContact O-OG1 2.86Å
74G91.4Very high93.7Very high7 Ų760.3 Ų60.37%0.07230%0.296CS..THydrogen-bonded Turntrans6328.9176.500000114.2E76 Q125G74-E76 VanDerWaalsContact C-N 3.34Å; G74-Q125 PolarHBondContact O-NE2 2.71Å; G74-Q125 PolarHBondContact O-OE1 3.01Å
75G90.2Very high93.3Very high23 Ų2362.7 Ų62.724%0.23731%0.307CS..THydrogen-bonded Turntrans89-10.9-176.900000114.9Y64 W73Y64-G75 PolarHBondContact OH-O 3.28Å; W73-G75 PolarHBondContact O-N 3.02Å
76E93Very high92.4Very high60 Ų6071.5 Ų71.528%0.2834%0.343SS..  trans-65.7156.2169.4-62.5-169.7163.600111.2Y64 W73 G74 P98 T119 S121Y64-E76 WeakPolarHBondContact CE1-O 3.31Å; W73-E76 WeakPolarHBondContact CB-O 3.49Å; W73-E76 WeakPolarHBondContact O-CB 3.43Å; W73-E76 PolarHBondContact O-N 3.08Å; W73-E76 VanDerWaalsContact O-N 3.11Å; G74-E76 VanDerWaalsContact C-N 3.34Å; E76-P98 HydrophobicContact CB-CB 4.21Å; E76-P98 VanDerWaalsContact OE2-CB 3.24Å; E76-P98 WeakPolarHBondContact OE2-CB 3.23Å; E76-T119 VanDerWaalsContact OE2-CB 3.26Å; E76-T119 WeakPolarHBondContact OE2-CB 3.34Å; E76-T119 VanDerWaalsContact OE2-CG2 3.28Å; E76-T119 WeakPolarHBondContact OE2-CG2 3.45Å; E76-S121 WeakPolarHBondContact OE1-CB 3.47Å; E76-S121 PolarHBondContact OE1-OG 3.03Å
77G93.9Very high91.4Very high10 Ų1074.5 Ų74.510%0.10335%0.354CS..  trans-165.2-171.8172.300000111.6I62 I79I62-G77 VanDerWaalsContact CG2-CA 3.42Å; G77-I79 PolarHBondContact O-N 3.22Å
78I95.8Very high90Very high35 Ų3575.2 Ų75.218%0.17936%0.357CS..EExtended strand (participates in β ladder)trans-82.1120.4-176.6-59.8176.4000108.7V63 P65 W73 Q80 T95 W96V63-I78 HydrophobicContact CB-CB 4.33Å; V63-I78 PolarHBondContact N-O 3.48Å; V63-I78 WeakPolarHBondContact O-CB 3.41Å; V63-I78 PolarHBondContact O-N 3.15Å; P65-I78 HydrophobicContact CB-CD1 4.44Å; P65-I78 HydrophobicContact CG-CD1 3.83Å; W73-I78 HydrophobicContact CH2-CD1 4.47Å; W73-I78 HydrophobicContact CH2-CG1 4.28Å; W73-I78 HydrophobicContact CZ3-CG1 4.25Å; I78-Q80 HydrophobicContact CG2-CG 4.4Å; I78-T95 HydrophobicContact CG2-CG2 3.23Å; I78-W96 WeakPolarHBondContact CA-O 3.43Å
79I94.7Very high89.2Confident48 Ų4884.4 Ų84.425%0.24640%0.397CS..EExtended strand (participates in β ladder)trans-99.5125.9175.2-58173.2000107.9M60 I62 G77 T95 W96M60-I79 HydrophobicContact CE-CD1 4.14Å; M60-I79 HydrophobicContact SD-CD1 4.48Å; I62-I79 HydrophobicContact CG1-CG1 4.44Å; G77-I79 PolarHBondContact O-N 3.22Å; I79-T95 WeakPolarHBondContact O-CA 3.46Å; I79-W96 HydrophobicContact CB-CB 4.47Å; I79-W96 HydrophobicContact CB-CE3 4.43Å; I79-W96 HydrophobicContact CG2-CE3 4.19Å; I79-W96 PolarHBondContact N-O 3.46Å; I79-W96 PolarHBondContact O-N 3.44Å
80Q93.5Very high88.6Confident126 Ų12685.5 Ų85.559%0.58941%0.409SS*.EExtended strand (participates in β ladder)trans-108.9131.2175.2-65.8179.6-17.100109.2I78 T95I78-Q80 HydrophobicContact CG2-CG 4.4Å; Q80-T95 HydrophobicContact CG-CG2 4.21Å
81G92.7Very high88.3Confident25 Ų2585.8 Ų85.826%0.25841%0.406SS..EExtended strand (participates in β ladder)trans-162.1-158.9178.100000112.1P93 K94G81-P93 WeakPolarHBondContact O-CA 3.24Å; G81-K94 PolarHBondContact N-O 3.02Å; G81-K94 PolarHBondContact O-N 3.4Å; G81-K94 VanDerWaalsContact O-O 3.12Å
82Y91.7Very high88Confident163 Ų16390.1 Ų90.164%0.63942%0.424SS*.EExtended strand (participates in β ladder)trans-121.1143.6178.3-65.1-89.6000109.5R91 F92 P93Y82-R91 HydrophobicContact CD1-CB 4.02Å; Y82-R91 HydrophobicContact CG-CB 4.43Å; Y82-F92 CarbonylContact C-O 3.54Å; Y82-F92 VanDerWaalsContact CA-O 3.32Å; Y82-F92 WeakPolarHBondContact CA-O 3.5Å; Y82-P93 HydrophobicContact CD1-CB 4.49Å; Y82-P93 HydrophobicContact CE1-CB 4.34Å
83W89.3Confident87.8Confident136 Ų13695 Ų9552%0.51546%0.455SS..EExtended strand (participates in β ladder)trans-117137174-178.461000109.7K85 F92 K94W83-K85 HydrophobicContact CH2-CG 4.16Å; W83-K85 HydrophobicContact CZ3-CG 4.49Å; W83-F92 PolarHBondContact N-O 2.96Å; W83-F92 PolarHBondContact O-N 3.27Å; W83-K94 HydrophobicContact CB-CB 3.94Å
84E87.9Confident87.8Confident83 Ų8399.2 Ų99.239%0.38847%0.474SS..EExtended strand (participates in β ladder)trans-122.5139.6178.8-70.2-178.3-138.500109.4R91E84-R91 HydrophobicContact CG-CB 4.32Å; E84-R91 HydrophobicContact CG-CG 3.65Å; E84-R91 WeakPolarHBondContact OE1-CD 3.33Å; E84-R91 WeakPolarHBondContact OE1-CG 3.44Å; E84-R91 IonicContact OE1-CZ 3.16Å; E84-R91 IonicContact OE1-NE 3.86Å; E84-R91 PolarHBondContact OE1-NE 3.46Å; E84-R91 IonicContact OE1-NH2 3.23Å; E84-R91 PolarHBondContact OE1-NH2 3.22Å
85K84.9Confident88Confident114 Ų114102.4 Ų102.450%0.49649%0.492SS..EExtended strand (participates in β ladder)trans-76.5141.7165.5-69.7-174.7-179.5178.50108.2W83 N87 Q88W83-K85 HydrophobicContact CH2-CG 4.16Å; W83-K85 HydrophobicContact CZ3-CG 4.49Å; K85-N87 PolarHBondContact O-N 2.88Å; K85-Q88 PolarHBondContact O-N 3.26Å; K85-Q88 VanDerWaalsContact O-N 3.11Å
86K78.4Confident88.2Confident211 Ų211106.8 Ų106.892%0.91750%0.502SS*.THydrogen-bonded Turntrans-39.6-38.9-170.4-72.3-174.7176.9-178.30115.6
87N72.8Confident88.3Confident159 Ų159108.2 Ų108.285%0.8552%0.519SS*.THydrogen-bonded Turntrans-127.515.3-172.9-63.6-8.3000114.6K85K85-N87 PolarHBondContact O-N 2.88Å
88Q67.5Low88.4Confident131 Ų131108.8 Ų108.861%0.61252%0.52SS*.EExtended strand (participates in β ladder)trans-137.6126.6-175.4-68.8-178.4-9.700112.8K85K85-Q88 PolarHBondContact O-N 3.26Å; K85-Q88 VanDerWaalsContact O-N 3.11Å
89K75.9Confident88.4Confident195 Ų195112.2 Ų112.285%0.84854%0.543SS*.EExtended strand (participates in β ladder)trans-78146.3156.9-66.5178.8-179.3175.90107.8
90P84.7Confident88.5Confident82 Ų82113.9 Ų113.953%0.53255%0.552SS.*EExtended strand (participates in β ladder)cis-95.1168.718.235.9-35.7000115.5F92P90-F92 HydrophobicContact CG-CE1 4.04Å; P90-F92 HydrophobicContact CG-CE2 4.31Å; P90-F92 HydrophobicContact CG-CZ 3.73Å; P90-F92 WeakPolarHBondContact O-CD2 3.45Å; P90-F92 VanDerWaalsContact O-CE2 3.24Å; P90-F92 WeakPolarHBondContact O-CE2 3.23Å
91R87.8Confident88.7Confident169 Ų169111.4 Ų111.464%0.63854%0.541SS*.EExtended strand (participates in β ladder)trans-74.3132.8169.8-64.2-177.1169.8-177.5-15.9109.8Y82 E84Y82-R91 HydrophobicContact CD1-CB 4.02Å; Y82-R91 HydrophobicContact CG-CB 4.43Å; E84-R91 HydrophobicContact CG-CB 4.32Å; E84-R91 HydrophobicContact CG-CG 3.65Å; E84-R91 WeakPolarHBondContact OE1-CD 3.33Å; E84-R91 WeakPolarHBondContact OE1-CG 3.44Å; E84-R91 IonicContact OE1-CZ 3.16Å; E84-R91 IonicContact OE1-NE 3.86Å; E84-R91 PolarHBondContact OE1-NE 3.46Å; E84-R91 IonicContact OE1-NH2 3.23Å; E84-R91 PolarHBondContact OE1-NH2 3.22Å
92F89.8Confident88.9Confident100 Ų100117.2 Ų117.244%0.43956%0.562SS.*EExtended strand (participates in β ladder)trans-106.9132.5175.4-59.5-80000110.4Y82 W83 P90 K94Y82-F92 CarbonylContact C-O 3.54Å; Y82-F92 VanDerWaalsContact CA-O 3.32Å; Y82-F92 WeakPolarHBondContact CA-O 3.5Å; W83-F92 PolarHBondContact N-O 2.96Å; W83-F92 PolarHBondContact O-N 3.27Å; P90-F92 HydrophobicContact CG-CE1 4.04Å; P90-F92 HydrophobicContact CG-CE2 4.31Å; P90-F92 HydrophobicContact CG-CZ 3.73Å; P90-F92 WeakPolarHBondContact O-CD2 3.45Å; P90-F92 VanDerWaalsContact O-CE2 3.24Å; P90-F92 WeakPolarHBondContact O-CE2 3.23Å; F92-K94 PolarHBondContact O-N 3.25Å
93P93.9Very high89.2Confident103 Ų103111.8 Ų111.867%0.66954%0.544SS*.EExtended strand (participates in β ladder)trans-63.5130.817327.6-33.2000109.4G81 Y82G81-P93 WeakPolarHBondContact O-CA 3.24Å; Y82-P93 HydrophobicContact CD1-CB 4.49Å; Y82-P93 HydrophobicContact CE1-CB 4.34Å
94K94.5Very high89.5Confident103 Ų103110.7 Ų110.745%0.44855%0.547SS..EExtended strand (participates in β ladder)trans-131.7136.7177.3-174.767.1179.3-178.10109.4G81 W83 F92 W96G81-K94 PolarHBondContact N-O 3.02Å; G81-K94 PolarHBondContact O-N 3.4Å; G81-K94 VanDerWaalsContact O-O 3.12Å; W83-K94 HydrophobicContact CB-CB 3.94Å; F92-K94 PolarHBondContact O-N 3.25Å; K94-W96 HydrophobicContact CB-CH2 3.86Å; K94-W96 HydrophobicContact CB-CZ2 3.95Å; K94-W96 HydrophobicContact CB-CZ3 4.24Å; K94-W96 HydrophobicContact CG-CD2 4.13Å; K94-W96 HydrophobicContact CG-CE3 4.48Å; K94-W96 HydrophobicContact CG-CH2 4.05Å; K94-W96 HydrophobicContact CG-CZ2 3.64Å; K94-W96 HydrophobicContact CG-CZ3 4.44Å; K94-W96 WeakPolarHBondContact O-CZ3 3.35Å
95T94.8Very high90Very high74 Ų74107.6 Ų107.645%0.45453%0.533SS..EExtended strand (participates in β ladder)trans-111.7131.4173.7-54.90000108.4I78 I79 Q80I78-T95 HydrophobicContact CG2-CG2 3.23Å; I79-T95 WeakPolarHBondContact O-CA 3.46Å; Q80-T95 HydrophobicContact CG-CG2 4.21Å
96W95.2Very high90.5Very high115 Ų115105.3 Ų105.344%0.43652%0.523SS..EExtended strand (participates in β ladder)trans-108.8114.3173.4-62.6-91.5000108.4I78 I79 K94I78-W96 WeakPolarHBondContact CA-O 3.43Å; I79-W96 HydrophobicContact CB-CB 4.47Å; I79-W96 HydrophobicContact CB-CE3 4.43Å; I79-W96 HydrophobicContact CG2-CE3 4.19Å; I79-W96 PolarHBondContact N-O 3.46Å; I79-W96 PolarHBondContact O-N 3.44Å; K94-W96 HydrophobicContact CB-CH2 3.86Å; K94-W96 HydrophobicContact CB-CZ2 3.95Å; K94-W96 HydrophobicContact CB-CZ3 4.24Å; K94-W96 HydrophobicContact CG-CD2 4.13Å; K94-W96 HydrophobicContact CG-CE3 4.48Å; K94-W96 HydrophobicContact CG-CH2 4.05Å; K94-W96 HydrophobicContact CG-CZ2 3.64Å; K94-W96 HydrophobicContact CG-CZ3 4.44Å; K94-W96 WeakPolarHBondContact O-CZ3 3.35Å
97S94.7Very high91.4Very high91 Ų9195.2 Ų95.264%0.63648%0.48SS*.PPolyproline II helixtrans-102.2147.417754.40000110.6
98P95.8Very high92.4Very high21 Ų2191.6 Ų91.614%0.13646%0.458CS..PPolyproline II helixtrans-68.5157.4174.230.8-35.8000111.5W73 E76 L100 T119W73-P98 HydrophobicContact CD2-CG 4.32Å; W73-P98 HydrophobicContact CE3-CG 4.14Å; W73-P98 HydrophobicContact CH2-CG 4.2Å; W73-P98 HydrophobicContact CZ2-CG 4.44Å; W73-P98 HydrophobicContact CZ3-CG 4.06Å; E76-P98 HydrophobicContact CB-CB 4.21Å; E76-P98 VanDerWaalsContact OE2-CB 3.24Å; E76-P98 WeakPolarHBondContact OE2-CB 3.23Å; P98-L100 HydrophobicContact CB-CD2 4.5Å; P98-L100 HydrophobicContact CG-CD2 4.09Å; P98-T119 HydrophobicContact CB-CG2 3.83Å; P98-T119 HydrophobicContact CG-CG2 4.41Å
99V96Very high93.7Very high108 Ų10885.7 Ų85.766%0.65543%0.43SS*.PPolyproline II helixtrans-83.6120.4171.3178.90000108.2
100L96.6Very high94.6Very high83 Ų8378 Ų7844%0.43540%0.398SS..EExtended strand (participates in β ladder)trans-103.2137.5-177.7-56.9-178.6000110.2W73 P98 I117 T119W73-L100 HydrophobicContact CZ2-CD1 4.13Å; W73-L100 HydrophobicContact CZ2-CD2 4.13Å; P98-L100 HydrophobicContact CB-CD2 4.5Å; P98-L100 HydrophobicContact CG-CD2 4.09Å; L100-I117 HydrophobicContact CB-CG2 3.89Å; L100-I117 HydrophobicContact CD1-CG2 4.41Å; L100-I117 HydrophobicContact CD2-CG2 4.4Å; L100-I117 HydrophobicContact CG-CG2 4.46Å; L100-T119 HydrophobicContact CD2-CG2 3.78Å
101M97.1Very high95.1Very high74 Ų7479.9 Ų79.937%0.36540%0.404SS..EExtended strand (participates in β ladder)trans-138.3147.6179.1-62.3178.9-73.200109.9I117 V118 D120 L123M101-I117 CarbonylContact O-C 3.58Å; M101-I117 WeakPolarHBondContact O-CA 3.25Å; M101-V118 PolarHBondContact N-O 2.89Å; M101-V118 PolarHBondContact O-N 3.35Å; M101-D120 HydrophobicContact CE-CB 3.95Å; M101-L123 HydrophobicContact CE-CD1 4.13Å
102E97.3Very high95.5Very high147 Ų14777 Ų7769%0.68739%0.393SS*.EExtended strand (participates in β ladder)trans-91.7122.1173.9-72.4179.3-177.500109.9I115 I117E102-I115 HydrophobicContact CB-CG2 4.37Å; E102-I117 HydrophobicContact CG-CG1 3.84Å
103N97.4Very high95.9Very high49 Ų4980.4 Ų80.426%0.26240%0.403SS..EExtended strand (participates in β ladder)trans-126.3146.2179.4-73.751.4000110.9F105 I116 V118 L123N103-F105 HydrophobicContact CB-CD2 4.47Å; N103-F105 HydrophobicContact CB-CE2 3.65Å; N103-F105 HydrophobicContact CB-CZ 3.8Å; N103-F105 WeakPolarHBondContact O-CD2 3.31Å; N103-I116 PolarHBondContact N-O 2.84Å; N103-I116 VanDerWaalsContact N-O 3.08Å; N103-I116 PolarHBondContact O-N 2.92Å; N103-V118 HydrophobicContact CB-CG2 3.77Å; N103-L123 HydrophobicContact CB-CD2 4.45Å; N103-L123 WeakPolarHBondContact ND2-CD1 3.49Å; N103-L123 WeakPolarHBondContact ND2-CD2 3.44Å
104L97.2Very high96Very high113 Ų11376.9 Ų76.959%0.59238%0.378SS*.EExtended strand (participates in β ladder)trans-89.2124176.2-177.568.3000109.8W113 I115L104-W113 HydrophobicContact CD1-CB 4.31Å; L104-W113 HydrophobicContact CD1-CE3 4.08Å; L104-W113 HydrophobicContact CD2-CE3 3.8Å; L104-W113 HydrophobicContact CD2-CZ3 3.97Å; L104-W113 HydrophobicContact CG-CE3 3.72Å; L104-W113 HydrophobicContact CG-CZ3 4.13Å; L104-I115 HydrophobicContact CD1-CG1 3.91Å
105F97.2Very high96.2Very high18 Ų1877.9 Ų77.98%0.07939%0.387CS..EExtended strand (participates in β ladder)trans-118.7146.4176.5-63-80.5000111.1N103 W113 M114 I116 V118 L123 I126 F132N103-F105 HydrophobicContact CB-CD2 4.47Å; N103-F105 HydrophobicContact CB-CE2 3.65Å; N103-F105 HydrophobicContact CB-CZ 3.8Å; N103-F105 WeakPolarHBondContact O-CD2 3.31Å; F105-W113 CarbonylContact O-C 3.12Å; F105-W113 WeakPolarHBondContact O-CA 3.36Å; F105-M114 PolarHBondContact N-O 2.92Å; F105-M114 PolarHBondContact O-N 3.09Å; F105-I116 HydrophobicContact CD2-CB 3.94Å; F105-I116 HydrophobicContact CD2-CD1 4.11Å; F105-I116 HydrophobicContact CD2-CG1 4.19Å; F105-I116 HydrophobicContact CE2-CB 4.06Å; F105-V118 HydrophobicContact CE2-CG1 3.53Å; F105-V118 HydrophobicContact CE2-CG2 4.38Å; F105-V118 HydrophobicContact CZ-CG1 3.71Å; F105-V118 HydrophobicContact CZ-CG2 4.24Å; F105-L123 HydrophobicContact CE1-CD2 4.06Å; F105-L123 HydrophobicContact CZ-CD2 3.71Å; F105-I126 HydrophobicContact CE1-CD1 3.76Å; F105-I126 HydrophobicContact CZ-CD1 3.96Å; F105-F132 HydrophobicContact CB-CD2 4.15Å; F105-F132 HydrophobicContact CB-CE2 4.4Å; F105-F132 HydrophobicContact CB-CG 4.22Å; F105-F132 HydrophobicContact CD1-CB 4.3Å; F105-F132 AromaticContact CD1-CD2 3.66Å; F105-F132 HydrophobicContact CD1-CD2 3.66Å; F105-F132 HydrophobicContact CD1-CE2 4.32Å; F105-F132 HydrophobicContact CD1-CG 4.18Å; F105-F132 HydrophobicContact CD2-CE2 4.49Å; F105-F132 HydrophobicContact CE1-CD2 4.22Å; F105-F132 AromaticContact CG-CD2 3.87Å; F105-F132 HydrophobicContact CG-CD2 3.87Å; F105-F132 HydrophobicContact CG-CE2 4.14Å; F105-F132 HydrophobicContact CG-CG 4.38Å
106H96.5Very high96.3Very high65 Ų6574.8 Ų74.830%0.30137%0.367SS..EExtended strand (participates in β ladder)trans-110.5136.2167.9-174.5-99.8000109.3W113H106-W113 HydrophobicContact CB-CD2 4.05Å; H106-W113 HydrophobicContact CB-CE3 3.74Å; H106-W113 HydrophobicContact CB-CH2 3.88Å; H106-W113 HydrophobicContact CB-CZ2 4.14Å; H106-W113 HydrophobicContact CB-CZ3 3.67Å; H106-W113 AromaticContact CD2-CD1 3.8Å; H106-W113 AromaticContact CD2-CD2 3.65Å; H106-W113 AromaticContact CD2-CE2 3.36Å; H106-W113 AromaticContact CD2-CG 3.93Å; H106-W113 AromaticContact CD2-CZ2 3.77Å; H106-W113 AromaticContact CD2-NE1 3.44Å; H106-W113 PolarHBondContact CD2-NE1 3.38Å
107S96.3Very high96.4Very high0 Ų072.1 Ų72.10%036%0.361CS..EExtended strand (participates in β ladder)trans-106.1120.9170.5-179.50000109.3I109 L110 D111 R112 D133S107-I109 VanDerWaalsContact C-N 3.32Å; S107-L110 PolarHBondContact OG-N 2.92Å; S107-D111 WeakPolarHBondContact O-CA 3.49Å; S107-D111 PolarHBondContact O-N 3.27Å; S107-R112 PolarHBondContact N-O 3.23Å; S107-R112 VanDerWaalsContact N-O 3.1Å; S107-R112 PolarHBondContact O-N 3.45Å; S107-D133 WeakPolarHBondContact CA-OD1 3.5Å; S107-D133 VanDerWaalsContact CB-OD1 3.24Å; S107-D133 WeakPolarHBondContact CB-OD1 3.45Å; S107-D133 VanDerWaalsContact OG-CG 3.27Å; S107-D133 PolarHBondContact OG-OD1 3.21Å; S107-D133 PolarHBondContact OG-OD2 3.44Å
108E94Very high96.5Very high83 Ų8367.8 Ų67.839%0.38833%0.331SS..THydrogen-bonded Turntrans-69.1-33176.2-65-176.2-170.200111D133 W173 K175E108-D133 PolarHBondContact N-OD2 3.44Å; E108-W173 PolarHBondContact O-NE1 2.66Å; E108-K175 IonicContact OE2-NZ 3.57Å
109I95.1Very high96.6Very high7 Ų766.8 Ų66.84%0.03632%0.324CS..THydrogen-bonded Turntrans-77.5-36.9-178.2-61.2169.6000111.8S107 D133 L137 M156 T159 L160 Y176S107-I109 VanDerWaalsContact C-N 3.32Å; I109-D133 HydrophobicContact CD1-CB 3.91Å; I109-D133 HydrophobicContact CG1-CB 4.38Å; I109-D133 WeakPolarHBondContact CG1-OD2 3.3Å; I109-D133 PolarHBondContact N-OD2 3.44Å; I109-L137 HydrophobicContact CD1-CD1 3.64Å; I109-M156 HydrophobicContact CB-CG 4.28Å; I109-M156 HydrophobicContact CD1-CB 4.17Å; I109-M156 HydrophobicContact CD1-CG 4.23Å; I109-M156 HydrophobicContact CD1-SD 4.46Å; I109-M156 HydrophobicContact CG2-CB 4.09Å; I109-M156 HydrophobicContact CG2-CG 4.2Å; I109-T159 WeakPolarHBondContact CG2-OG1 3.44Å; I109-L160 HydrophobicContact CD1-CD1 4.17Å; I109-L160 HydrophobicContact CG2-CD2 4.42Å; I109-L160 HydrophobicContact CG2-CG 4.19Å; I109-Y176 HydrophobicContact CD1-CD1 4.07Å; I109-Y176 HydrophobicContact CD1-CD2 3.97Å; I109-Y176 HydrophobicContact CD1-CE1 4.16Å; I109-Y176 HydrophobicContact CD1-CE2 4.09Å; I109-Y176 HydrophobicContact CD1-CG 3.97Å; I109-Y176 HydrophobicContact CG1-CD2 3.89Å; I109-Y176 HydrophobicContact CG1-CE2 3.82Å; I109-Y176 HydrophobicContact CG1-CG 4.4Å
110L95.1Very high96.6Very high32 Ų3265.2 Ų65.217%0.16831%0.312CS..THydrogen-bonded Turntrans-96.1-3.8-177.4-58.8178.5000113.4S107 R112 L152 D155 M156 T159S107-L110 PolarHBondContact OG-N 2.92Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 HydrophobicContact CB-CG 4Å; L110-R112 PolarHBondContact O-N 2.97Å; L110-L152 HydrophobicContact CD1-CD2 3.93Å; L110-D155 HydrophobicContact CD2-CB 4.11Å; L110-M156 HydrophobicContact CD1-CE 4.26Å; L110-M156 HydrophobicContact CD1-CG 4.22Å; L110-M156 HydrophobicContact CD2-CG 4.34Å; L110-M156 HydrophobicContact CG-CG 4.09Å; L110-T159 HydrophobicContact CD2-CG2 4.04Å
111D94.8Very high96.5Very high123 Ų12363 Ų6366%0.65830%0.303SS*.THydrogen-bonded Turntrans45.250-177.3-166.333.5000113.2S107S107-D111 WeakPolarHBondContact O-CA 3.49Å; S107-D111 PolarHBondContact O-N 3.27Å
112R96.5Very high96.4Very high107 Ų10759.4 Ų59.440%0.40429%0.286SS..EExtended strand (participates in β ladder)trans-149.7148.7-178.770.4-178.1-172.7-169.2-3.4113.5S107 L110 M114S107-R112 PolarHBondContact N-O 3.23Å; S107-R112 VanDerWaalsContact N-O 3.1Å; S107-R112 PolarHBondContact O-N 3.45Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 HydrophobicContact CB-CG 4Å; L110-R112 PolarHBondContact O-N 2.97Å; R112-M114 HydrophobicContact CG-CG 4.17Å; R112-M114 HydrophobicContact CG-SD 4.3Å; R112-M114 PolarHBondContact NE-SD 3.17Å; R112-M114 VanDerWaalsContact NE-SD 3.39Å
113W97.7Very high96.4Very high173 Ų17354.2 Ų54.266%0.65526%0.263SS*.EExtended strand (participates in β ladder)trans-87.2140170.3-64.889.6000110.9L104 F105 H106L104-W113 HydrophobicContact CD1-CB 4.31Å; L104-W113 HydrophobicContact CD1-CE3 4.08Å; L104-W113 HydrophobicContact CD2-CE3 3.8Å; L104-W113 HydrophobicContact CD2-CZ3 3.97Å; L104-W113 HydrophobicContact CG-CE3 3.72Å; L104-W113 HydrophobicContact CG-CZ3 4.13Å; F105-W113 CarbonylContact O-C 3.12Å; F105-W113 WeakPolarHBondContact O-CA 3.36Å; H106-W113 HydrophobicContact CB-CD2 4.05Å; H106-W113 HydrophobicContact CB-CE3 3.74Å; H106-W113 HydrophobicContact CB-CH2 3.88Å; H106-W113 HydrophobicContact CB-CZ2 4.14Å; H106-W113 HydrophobicContact CB-CZ3 3.67Å; H106-W113 AromaticContact CD2-CD1 3.8Å; H106-W113 AromaticContact CD2-CD2 3.65Å; H106-W113 AromaticContact CD2-CE2 3.36Å; H106-W113 AromaticContact CD2-CG 3.93Å; H106-W113 AromaticContact CD2-CZ2 3.77Å; H106-W113 AromaticContact CD2-NE1 3.44Å; H106-W113 PolarHBondContact CD2-NE1 3.38Å
114M97Very high96.4Very high28 Ų2857.2 Ų57.214%0.13827%0.273CS..EExtended strand (participates in β ladder)trans-139.6133.7-178.3-63.2175.5-69.900110.2F105 R112 I116 F132 L152F105-M114 PolarHBondContact N-O 2.92Å; F105-M114 PolarHBondContact O-N 3.09Å; R112-M114 HydrophobicContact CG-CG 4.17Å; R112-M114 HydrophobicContact CG-SD 4.3Å; R112-M114 PolarHBondContact NE-SD 3.17Å; R112-M114 VanDerWaalsContact NE-SD 3.39Å; M114-I116 HydrophobicContact CB-CD1 4.27Å; M114-I116 HydrophobicContact CB-CG1 4.17Å; M114-F132 HydrophobicContact CE-CD1 4.47Å; M114-F132 HydrophobicContact CE-CE1 3.69Å; M114-F132 HydrophobicContact CE-CZ 4.28Å; M114-L152 HydrophobicContact CE-CD2 4.24Å; M114-L152 HydrophobicContact SD-CD2 3.74Å
115I97.7Very high96.3Very high125 Ų12555.3 Ų55.364%0.64126%0.261SS*.EExtended strand (participates in β ladder)trans-92.2120.5169.5-61.5167.2000107.1E102 L104E102-I115 HydrophobicContact CB-CG2 4.37Å; L104-I115 HydrophobicContact CD1-CG1 3.91Å
116I97.2Very high96.3Very high8 Ų855.2 Ų55.24%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-129134.9-178-55.2173.9000108.8L72 N103 F105 M114 V118 F132 L148 L152L72-I116 HydrophobicContact CB-CG2 4.3Å; L72-I116 HydrophobicContact CD1-CD1 4.16Å; L72-I116 HydrophobicContact CD1-CG2 3.99Å; L72-I116 HydrophobicContact CG-CG2 3.95Å; N103-I116 PolarHBondContact N-O 2.84Å; N103-I116 VanDerWaalsContact N-O 3.08Å; N103-I116 PolarHBondContact O-N 2.92Å; F105-I116 HydrophobicContact CD2-CB 3.94Å; F105-I116 HydrophobicContact CD2-CD1 4.11Å; F105-I116 HydrophobicContact CD2-CG1 4.19Å; F105-I116 HydrophobicContact CE2-CB 4.06Å; M114-I116 HydrophobicContact CB-CD1 4.27Å; M114-I116 HydrophobicContact CB-CG1 4.17Å; I116-V118 HydrophobicContact CB-CG1 4.42Å; I116-V118 HydrophobicContact CG2-CG1 4.09Å; I116-V118 PolarHBondContact O-N 2.99Å; I116-F132 HydrophobicContact CD1-CE2 3.91Å; I116-F132 HydrophobicContact CD1-CZ 3.62Å; I116-L148 HydrophobicContact CD1-CD2 4.24Å; I116-L148 HydrophobicContact CG2-CD2 4.31Å; I116-L152 HydrophobicContact CD1-CD1 4.26Å
117I97.7Very high96.3Very high60 Ų6059.4 Ų59.431%0.30828%0.281SS..EExtended strand (participates in β ladder)trans-74.6123.4170.8-60.7166.8000108.6C71 L72 L100 M101 E102C71-I117 HydrophobicContact CB-CB 4.13Å; C71-I117 HydrophobicContact CB-CG2 4.38Å; C71-I117 WeakPolarHBondContact CB-O 3.26Å; L72-I117 PolarHBondContact N-O 2.89Å; L100-I117 HydrophobicContact CB-CG2 3.89Å; L100-I117 HydrophobicContact CD1-CG2 4.41Å; L100-I117 HydrophobicContact CD2-CG2 4.4Å; L100-I117 HydrophobicContact CG-CG2 4.46Å; M101-I117 CarbonylContact O-C 3.58Å; M101-I117 WeakPolarHBondContact O-CA 3.25Å; E102-I117 HydrophobicContact CG-CG1 3.84Å
118V97.3Very high96.4Very high0 Ų068.2 Ų68.20%032%0.32CS..EExtended strand (participates in β ladder)trans-131.4160.4-174.8-640000111.9L72 M101 N103 F105 I116 A122 L123L72-V118 HydrophobicContact CB-CG1 4.18Å; L72-V118 WeakPolarHBondContact O-CA 3.45Å; M101-V118 PolarHBondContact N-O 2.89Å; M101-V118 PolarHBondContact O-N 3.35Å; N103-V118 HydrophobicContact CB-CG2 3.77Å; F105-V118 HydrophobicContact CE2-CG1 3.53Å; F105-V118 HydrophobicContact CE2-CG2 4.38Å; F105-V118 HydrophobicContact CZ-CG1 3.71Å; F105-V118 HydrophobicContact CZ-CG2 4.24Å; I116-V118 HydrophobicContact CB-CG1 4.42Å; I116-V118 HydrophobicContact CG2-CG1 4.09Å; I116-V118 PolarHBondContact O-N 2.99Å; V118-A122 HydrophobicContact CB-CB 4.5Å; V118-L123 HydrophobicContact CB-CG 4.45Å; V118-L123 HydrophobicContact CG2-CD1 3.97Å; V118-L123 HydrophobicContact CG2-CD2 3.95Å; V118-L123 HydrophobicContact CG2-CG 3.8Å
119T96.9Very high96.5Very high0 Ų065.5 Ų65.50%031%0.311CS..EExtended strand (participates in β ladder)trans-97.8159.2168.158.10000110.2W73 E76 P98 L100 S121 A122 L123W73-T119 VanDerWaalsContact C-OG1 3.32Å; W73-T119 HydrophobicContact CB-CG2 4.12Å; W73-T119 HydrophobicContact CG-CG2 4.18Å; W73-T119 PolarHBondContact O-OG1 2.86Å; E76-T119 VanDerWaalsContact OE2-CB 3.26Å; E76-T119 WeakPolarHBondContact OE2-CB 3.34Å; E76-T119 VanDerWaalsContact OE2-CG2 3.28Å; E76-T119 WeakPolarHBondContact OE2-CG2 3.45Å; P98-T119 HydrophobicContact CB-CG2 3.83Å; P98-T119 HydrophobicContact CG-CG2 4.41Å; L100-T119 HydrophobicContact CD2-CG2 3.78Å; T119-S121 PolarHBondContact O-N 3.38Å; T119-A122 WeakPolarHBondContact O-CB 3.42Å; T119-A122 PolarHBondContact O-N 2.86Å; T119-A122 VanDerWaalsContact O-N 3.09Å; T119-A122 WeakPolarHBondContact OG1-CB 3.41Å; T119-A122 PolarHBondContact OG1-N 2.79Å; T119-L123 PolarHBondContact O-N 3.38Å
120D96.1Very high96.3Very high74 Ų7470.3 Ų70.340%0.39635%0.345SS..Hα-helixtrans-57.8-39.1173.9-177.835.4000111.6M101 A122 L123 K124M101-D120 HydrophobicContact CE-CB 3.95Å; D120-A122 PolarHBondContact O-N 3.41Å; D120-L123 WeakPolarHBondContact O-CB 3.32Å; D120-L123 PolarHBondContact O-N 3.13Å; D120-K124 WeakPolarHBondContact O-CG 3.47Å; D120-K124 PolarHBondContact O-N 2.96Å; D120-K124 WeakPolarHBondContact OD1-CE 3.17Å; D120-K124 IonicContact OD1-NZ 2.68Å; D120-K124 VanDerWaalsContact OD2-CE 3.22Å; D120-K124 WeakPolarHBondContact OD2-CE 3.42Å; D120-K124 IonicContact OD2-NZ 3.83Å; D120-K124 PolarHBondContact OD2-NZ 3.49Å
121S94.9Very high96.3Very high36 Ų3670 Ų7025%0.25235%0.35SS..Hα-helixtrans-63.2-38.3174.5-67.60000113.3E76 T119 K124 Q125E76-S121 WeakPolarHBondContact OE1-CB 3.47Å; E76-S121 PolarHBondContact OE1-OG 3.03Å; T119-S121 PolarHBondContact O-N 3.38Å; S121-K124 PolarHBondContact O-N 3.19Å; S121-Q125 VanDerWaalsContact O-CG 3.28Å; S121-Q125 WeakPolarHBondContact O-CG 3.4Å; S121-Q125 PolarHBondContact O-N 2.95Å
122A95.8Very high96.4Very high0 Ų064.7 Ų64.70%032%0.321CS..Hα-helixtrans-65.1-41.2174.800000111.3L72 V118 T119 D120 K124 Q125 I126L72-A122 VanDerWaalsContact O-CB 3.31Å; L72-A122 WeakPolarHBondContact O-CB 3.27Å; V118-A122 HydrophobicContact CB-CB 4.5Å; T119-A122 WeakPolarHBondContact O-CB 3.42Å; T119-A122 PolarHBondContact O-N 2.86Å; T119-A122 VanDerWaalsContact O-N 3.09Å; T119-A122 WeakPolarHBondContact OG1-CB 3.41Å; T119-A122 PolarHBondContact OG1-N 2.79Å; D120-A122 PolarHBondContact O-N 3.41Å; A122-K124 PolarHBondContact O-N 3.42Å; A122-Q125 WeakPolarHBondContact O-CB 3.39Å; A122-Q125 PolarHBondContact O-N 3.41Å; A122-I126 VanDerWaalsContact O-CG1 3.28Å; A122-I126 WeakPolarHBondContact O-CG1 3.48Å; A122-I126 PolarHBondContact O-N 2.87Å
123L96.4Very high96.4Very high38 Ų3859.8 Ų59.820%0.19930%0.302CS..Hα-helixtrans-59.6-46.4175.2-73.5170000111.9M101 N103 F105 V118 T119 D120 Q125 I126 E127M101-L123 HydrophobicContact CE-CD1 4.13Å; N103-L123 HydrophobicContact CB-CD2 4.45Å; N103-L123 WeakPolarHBondContact ND2-CD1 3.49Å; N103-L123 WeakPolarHBondContact ND2-CD2 3.44Å; F105-L123 HydrophobicContact CE1-CD2 4.06Å; F105-L123 HydrophobicContact CZ-CD2 3.71Å; V118-L123 HydrophobicContact CB-CG 4.45Å; V118-L123 HydrophobicContact CG2-CD1 3.97Å; V118-L123 HydrophobicContact CG2-CD2 3.95Å; V118-L123 HydrophobicContact CG2-CG 3.8Å; T119-L123 PolarHBondContact O-N 3.38Å; D120-L123 WeakPolarHBondContact O-CB 3.32Å; D120-L123 PolarHBondContact O-N 3.13Å; L123-Q125 VanDerWaalsContact C-N 3.28Å; L123-Q125 PolarHBondContact O-N 2.7Å; L123-I126 WeakPolarHBondContact O-CB 3.42Å; L123-I126 PolarHBondContact O-N 3.33Å; L123-I126 VanDerWaalsContact O-N 3.13Å; L123-E127 PolarHBondContact O-N 3.42Å
124K96.7Very high96.3Very high112 Ų11253.9 Ų53.949%0.48728%0.281SS..Hα-helixtrans-59.9-37.5175.1-70171.4-171.7161.60112.5D120 S121 A122 K128D120-K124 WeakPolarHBondContact O-CG 3.47Å; D120-K124 PolarHBondContact O-N 2.96Å; D120-K124 WeakPolarHBondContact OD1-CE 3.17Å; D120-K124 IonicContact OD1-NZ 2.68Å; D120-K124 VanDerWaalsContact OD2-CE 3.22Å; D120-K124 WeakPolarHBondContact OD2-CE 3.42Å; D120-K124 IonicContact OD2-NZ 3.83Å; D120-K124 PolarHBondContact OD2-NZ 3.49Å; S121-K124 PolarHBondContact O-N 3.19Å; A122-K124 PolarHBondContact O-N 3.42Å; K124-K128 VanDerWaalsContact O-CB 3.27Å; K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 PolarHBondContact O-N 3.5Å
125Q96.6Very high96.3Very high73 Ų7352.7 Ų52.734%0.34128%0.275SS..Hα-helixtrans-68.4-38.8175.9-70.5170.417.700112.1G74 S121 A122 L123 K128 A129 Y135G74-Q125 PolarHBondContact O-NE2 2.71Å; G74-Q125 PolarHBondContact O-OE1 3.01Å; S121-Q125 VanDerWaalsContact O-CG 3.28Å; S121-Q125 WeakPolarHBondContact O-CG 3.4Å; S121-Q125 PolarHBondContact O-N 2.95Å; A122-Q125 WeakPolarHBondContact O-CB 3.39Å; A122-Q125 PolarHBondContact O-N 3.41Å; L123-Q125 VanDerWaalsContact C-N 3.28Å; L123-Q125 PolarHBondContact O-N 2.7Å; Q125-K128 PolarHBondContact O-N 2.9Å; Q125-A129 WeakPolarHBondContact O-CB 3.2Å; Q125-A129 PolarHBondContact O-N 2.93Å; Q125-Y135 HydrophobicContact CB-CD2 3.99Å; Q125-Y135 HydrophobicContact CB-CE2 3.61Å; Q125-Y135 PolarHBondContact OE1-OH 3.3Å
126I97Very high96.3Very high15 Ų1546.7 Ų46.78%0.07725%0.245CC..Hα-helixtrans-64.5-46.1176.2-68.9162.3000110.6F105 A122 L123 K128 A129 S130 G131 F132 Y135F105-I126 HydrophobicContact CE1-CD1 3.76Å; F105-I126 HydrophobicContact CZ-CD1 3.96Å; A122-I126 VanDerWaalsContact O-CG1 3.28Å; A122-I126 WeakPolarHBondContact O-CG1 3.48Å; A122-I126 PolarHBondContact O-N 2.87Å; L123-I126 WeakPolarHBondContact O-CB 3.42Å; L123-I126 PolarHBondContact O-N 3.33Å; L123-I126 VanDerWaalsContact O-N 3.13Å; I126-K128 PolarHBondContact O-N 3.13Å; I126-A129 PolarHBondContact O-N 3.34Å; I126-S130 PolarHBondContact O-N 3.49Å; I126-G131 PolarHBondContact O-N 2.75Å; I126-F132 HydrophobicContact CD1-CD2 4.27Å; I126-F132 HydrophobicContact CG2-CB 4.49Å; I126-Y135 HydrophobicContact CB-CG 4.44Å; I126-Y135 HydrophobicContact CD1-CD1 4.22Å; I126-Y135 HydrophobicContact CD1-CE1 4.44Å; I126-Y135 HydrophobicContact CG1-CD1 3.49Å; I126-Y135 VanDerWaalsContact CG1-CD1 3.49Å; I126-Y135 HydrophobicContact CG1-CD2 4.15Å; I126-Y135 HydrophobicContact CG1-CE1 3.99Å; I126-Y135 HydrophobicContact CG1-CG 3.57Å
127E96.8Very high96.3Very high154 Ų15446.7 Ų46.772%0.7225%0.245SC*.Hα-helixtrans-60.2-45.8175.6-173.2179.8-175.200111L123 A129 S130L123-E127 PolarHBondContact O-N 3.42Å; E127-A129 VanDerWaalsContact C-N 3.26Å; E127-A129 PolarHBondContact O-N 3Å; E127-S130 WeakPolarHBondContact O-CA 3.28Å; E127-S130 PolarHBondContact O-N 3.45Å
128K97.3Very high96.2Very high185 Ų18546.8 Ų46.880%0.80425%0.251SS*.Hα-helixtrans-60.6-34.5175.9-174.3177.1-178.9177.40113K124 Q125 I126 S130K124-K128 VanDerWaalsContact O-CB 3.27Å; K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 PolarHBondContact O-N 3.5Å; Q125-K128 PolarHBondContact O-N 2.9Å; I126-K128 PolarHBondContact O-N 3.13Å; K128-S130 PolarHBondContact O-N 2.6Å
129A95.5Very high96.1Very high25 Ų2547.7 Ų47.721%0.20726%0.256CS..THydrogen-bonded Turntrans-78.2-0.1175.500000113.4Q125 I126 E127 G131 F134Q125-A129 WeakPolarHBondContact O-CB 3.2Å; Q125-A129 PolarHBondContact O-N 2.93Å; I126-A129 PolarHBondContact O-N 3.34Å; E127-A129 VanDerWaalsContact C-N 3.26Å; E127-A129 PolarHBondContact O-N 3Å; A129-G131 PolarHBondContact O-N 2.68Å; A129-F134 HydrophobicContact CB-CB 4.43Å; A129-F134 WeakPolarHBondContact O-CB 3.46Å
130S92.5Very high95.9Very high108 Ų10849.9 Ų49.976%0.75527%0.271SS*.THydrogen-bonded Turntrans62.721.4-179.1-49.90000114.7I126 E127 K128I126-S130 PolarHBondContact O-N 3.49Å; E127-S130 WeakPolarHBondContact O-CA 3.28Å; E127-S130 PolarHBondContact O-N 3.45Å; K128-S130 PolarHBondContact O-N 2.6Å
131G94Very high95.7Very high25 Ų2548 Ų4826%0.25826%0.26SS..SBendtrans158.1157.6177.200000114I126 A129 Y135I126-G131 PolarHBondContact O-N 2.75Å; A129-G131 PolarHBondContact O-N 2.68Å; G131-Y135 WeakPolarHBondContact O-CB 3.27Å; G131-Y135 PolarHBondContact O-N 3.37Å
132F96.3Very high95.4Very high13 Ų1346.5 Ų46.56%0.05725%0.249CC..Hα-helixtrans-63.5-52-179.1178.4-103.6000112.4L72 F105 M114 I116 I126 F134 Y135 I136 L152 M156L72-F132 HydrophobicContact CD1-CE2 3.67Å; L72-F132 HydrophobicContact CD1-CZ 4.16Å; F105-F132 HydrophobicContact CB-CD2 4.15Å; F105-F132 HydrophobicContact CB-CE2 4.4Å; F105-F132 HydrophobicContact CB-CG 4.22Å; F105-F132 HydrophobicContact CD1-CB 4.3Å; F105-F132 AromaticContact CD1-CD2 3.66Å; F105-F132 HydrophobicContact CD1-CD2 3.66Å; F105-F132 HydrophobicContact CD1-CE2 4.32Å; F105-F132 HydrophobicContact CD1-CG 4.18Å; F105-F132 HydrophobicContact CD2-CE2 4.49Å; F105-F132 HydrophobicContact CE1-CD2 4.22Å; F105-F132 AromaticContact CG-CD2 3.87Å; F105-F132 HydrophobicContact CG-CD2 3.87Å; F105-F132 HydrophobicContact CG-CE2 4.14Å; F105-F132 HydrophobicContact CG-CG 4.38Å; M114-F132 HydrophobicContact CE-CD1 4.47Å; M114-F132 HydrophobicContact CE-CE1 3.69Å; M114-F132 HydrophobicContact CE-CZ 4.28Å; I116-F132 HydrophobicContact CD1-CE2 3.91Å; I116-F132 HydrophobicContact CD1-CZ 3.62Å; I126-F132 HydrophobicContact CD1-CD2 4.27Å; I126-F132 HydrophobicContact CG2-CB 4.49Å; F132-F134 VanDerWaalsContact C-N 3.3Å; F132-F134 PolarHBondContact O-N 2.97Å; F132-Y135 WeakPolarHBondContact O-CB 3.4Å; F132-Y135 PolarHBondContact O-N 3.19Å; F132-Y135 VanDerWaalsContact O-N 3.17Å; F132-I136 HydrophobicContact CE1-CG1 4.17Å; F132-I136 HydrophobicContact CE2-CD1 4.34Å; F132-I136 HydrophobicContact CE2-CG1 4.23Å; F132-I136 HydrophobicContact CZ-CD1 4.28Å; F132-I136 HydrophobicContact CZ-CG1 3.98Å; F132-I136 WeakPolarHBondContact O-CG1 3.36Å; F132-I136 PolarHBondContact O-N 3.08Å; F132-L152 HydrophobicContact CE1-CD1 4.17Å; F132-L152 HydrophobicContact CZ-CD1 3.75Å; F132-M156 HydrophobicContact CD1-CE 4.23Å; F132-M156 HydrophobicContact CE1-CE 3.89Å
133D96.5Very high95.2Very high3 Ų352.3 Ų52.32%0.01627%0.274CS..Hα-helixtrans-62.5-39.9-179.9-67.7-8.4000111.4S107 E108 I109 Y135 I136 L137 M156 Y176S107-D133 WeakPolarHBondContact CA-OD1 3.5Å; S107-D133 VanDerWaalsContact CB-OD1 3.24Å; S107-D133 WeakPolarHBondContact CB-OD1 3.45Å; S107-D133 VanDerWaalsContact OG-CG 3.27Å; S107-D133 PolarHBondContact OG-OD1 3.21Å; S107-D133 PolarHBondContact OG-OD2 3.44Å; E108-D133 PolarHBondContact N-OD2 3.44Å; I109-D133 HydrophobicContact CD1-CB 3.91Å; I109-D133 HydrophobicContact CG1-CB 4.38Å; I109-D133 WeakPolarHBondContact CG1-OD2 3.3Å; I109-D133 PolarHBondContact N-OD2 3.44Å; D133-Y135 PolarHBondContact O-N 2.88Å; D133-I136 PolarHBondContact O-N 3.04Å; D133-L137 WeakPolarHBondContact O-CB 3.35Å; D133-L137 VanDerWaalsContact O-CG 3.31Å; D133-L137 WeakPolarHBondContact O-CG 3.09Å; D133-L137 PolarHBondContact O-N 3.23Å; D133-M156 HydrophobicContact CB-CE 4.42Å; D133-M156 HydrophobicContact CB-SD 4.41Å; D133-M156 WeakPolarHBondContact OD1-CE 3.41Å; D133-Y176 HydrophobicContact CB-CE1 3.84Å
134F96.6Very high95Very high49 Ų4950.6 Ų50.622%0.21527%0.265CS..Hα-helixtrans-61.8-43.7174.9-87.2-67.6000112.2A129 F132 I136 L137 S138 K175 Y176 F179A129-F134 HydrophobicContact CB-CB 4.43Å; A129-F134 WeakPolarHBondContact O-CB 3.46Å; F132-F134 VanDerWaalsContact C-N 3.3Å; F132-F134 PolarHBondContact O-N 2.97Å; F134-I136 PolarHBondContact O-N 2.93Å; F134-L137 PolarHBondContact O-N 3.19Å; F134-S138 WeakPolarHBondContact O-CB 3.24Å; F134-S138 PolarHBondContact O-N 3.12Å; F134-S138 PolarHBondContact O-OG 3.18Å; F134-K175 HydrophobicContact CE2-CB 4.19Å; F134-K175 HydrophobicContact CZ-CB 3.7Å; F134-Y176 HydrophobicContact CD1-CD1 4.21Å; F134-Y176 AromaticContact CD1-CE1 3.99Å; F134-Y176 HydrophobicContact CD1-CE1 3.99Å; F134-Y176 AromaticContact CD2-CE1 3.59Å; F134-Y176 HydrophobicContact CD2-CE1 3.59Å; F134-Y176 AromaticContact CE1-CD1 3.82Å; F134-Y176 HydrophobicContact CE1-CD1 3.82Å; F134-Y176 AromaticContact CE1-CE1 3.85Å; F134-Y176 HydrophobicContact CE1-CE1 3.85Å; F134-Y176 HydrophobicContact CE2-CD1 4.13Å; F134-Y176 AromaticContact CE2-CE1 3.43Å; F134-Y176 HydrophobicContact CE2-CE1 3.43Å; F134-Y176 VanDerWaalsContact CE2-CE1 3.43Å; F134-Y176 AromaticContact CE2-CZ 3.8Å; F134-Y176 AromaticContact CG-CE1 3.85Å; F134-Y176 HydrophobicContact CG-CE1 3.85Å; F134-Y176 AromaticContact CZ-CD1 3.76Å; F134-Y176 HydrophobicContact CZ-CD1 3.76Å; F134-Y176 AromaticContact CZ-CE1 3.56Å; F134-Y176 HydrophobicContact CZ-CE1 3.56Å; F134-F179 AromaticContact CD1-CE2 3.85Å; F134-F179 HydrophobicContact CD1-CE2 3.85Å; F134-F179 HydrophobicContact CD1-CZ 4.44Å; F134-F179 AromaticContact CE1-CE2 3.86Å; F134-F179 HydrophobicContact CE1-CE2 3.86Å
135Y97Very high94.7Very high3 Ų348 Ų481%0.01225%0.254CS..Hα-helixtrans-58.2-48.8175.7168.3-106.1000111.7Q125 I126 G131 F132 D133 S138 T139 L144Q125-Y135 HydrophobicContact CB-CD2 3.99Å; Q125-Y135 HydrophobicContact CB-CE2 3.61Å; Q125-Y135 PolarHBondContact OE1-OH 3.3Å; I126-Y135 HydrophobicContact CB-CG 4.44Å; I126-Y135 HydrophobicContact CD1-CD1 4.22Å; I126-Y135 HydrophobicContact CD1-CE1 4.44Å; I126-Y135 HydrophobicContact CG1-CD1 3.49Å; I126-Y135 VanDerWaalsContact CG1-CD1 3.49Å; I126-Y135 HydrophobicContact CG1-CD2 4.15Å; I126-Y135 HydrophobicContact CG1-CE1 3.99Å; I126-Y135 HydrophobicContact CG1-CG 3.57Å; G131-Y135 WeakPolarHBondContact O-CB 3.27Å; G131-Y135 PolarHBondContact O-N 3.37Å; F132-Y135 WeakPolarHBondContact O-CB 3.4Å; F132-Y135 PolarHBondContact O-N 3.19Å; F132-Y135 VanDerWaalsContact O-N 3.17Å; D133-Y135 PolarHBondContact O-N 2.88Å; Y135-S138 PolarHBondContact O-OG 3Å; Y135-T139 WeakPolarHBondContact CD2-OG1 3.22Å; Y135-T139 WeakPolarHBondContact CE2-OG1 3.44Å; Y135-T139 WeakPolarHBondContact O-CB 3.32Å; Y135-T139 PolarHBondContact O-N 3.48Å; Y135-T139 PolarHBondContact O-OG1 3.19Å; Y135-L144 HydrophobicContact CE1-CD1 3.96Å
136I97.4Very high94.6Very high0 Ų044.7 Ų44.70%024%0.239CC..Hα-helixtrans-64.6-44.1-178.7-62.7-61.8000111.7L72 F132 D133 F134 L144 L152 K153 M156L72-I136 HydrophobicContact CD1-CD1 4.15Å; L72-I136 HydrophobicContact CD2-CD1 4.31Å; F132-I136 HydrophobicContact CE1-CG1 4.17Å; F132-I136 HydrophobicContact CE2-CD1 4.34Å; F132-I136 HydrophobicContact CE2-CG1 4.23Å; F132-I136 HydrophobicContact CZ-CD1 4.28Å; F132-I136 HydrophobicContact CZ-CG1 3.98Å; F132-I136 WeakPolarHBondContact O-CG1 3.36Å; F132-I136 PolarHBondContact O-N 3.08Å; D133-I136 PolarHBondContact O-N 3.04Å; F134-I136 PolarHBondContact O-N 2.93Å; I136-L144 HydrophobicContact CD1-CD1 4.17Å; I136-L152 HydrophobicContact CG2-CB 4.39Å; I136-K153 HydrophobicContact CG2-CB 3.63Å; I136-K153 HydrophobicContact CG2-CG 4.22Å; I136-K153 WeakPolarHBondContact O-CD 3.47Å; I136-K153 PolarHBondContact O-NZ 2.84Å; I136-M156 HydrophobicContact CB-CE 4.42Å; I136-M156 HydrophobicContact CB-SD 4.08Å; I136-M156 HydrophobicContact CG1-CE 4.45Å; I136-M156 HydrophobicContact CG2-CE 4.43Å; I136-M156 HydrophobicContact CG2-SD 3.87Å
137L96.7Very high94.5Very high7 Ų746.7 Ų46.74%0.03725%0.246CC..Hα-helixtrans-71.7-42.4-178.5-68.3176.5000112.5I109 D133 F134 K153 M156 L157 L160 Y176 F179I109-L137 HydrophobicContact CD1-CD1 3.64Å; D133-L137 WeakPolarHBondContact O-CB 3.35Å; D133-L137 VanDerWaalsContact O-CG 3.31Å; D133-L137 WeakPolarHBondContact O-CG 3.09Å; D133-L137 PolarHBondContact O-N 3.23Å; F134-L137 PolarHBondContact O-N 3.19Å; L137-K153 HydrophobicContact CD2-CG 4.43Å; L137-K153 WeakPolarHBondContact O-CE 3.3Å; L137-K153 PolarHBondContact O-NZ 3.35Å; L137-M156 HydrophobicContact CD2-CB 4.03Å; L137-M156 HydrophobicContact CD2-SD 4.47Å; L137-M156 HydrophobicContact CG-SD 4.34Å; L137-L157 HydrophobicContact CD2-CD1 4.41Å; L137-L157 HydrophobicContact CD2-CD2 3.67Å; L137-L157 HydrophobicContact CD2-CG 3.76Å; L137-L160 HydrophobicContact CD1-CD1 4.31Å; L137-Y176 HydrophobicContact CD1-CD1 3.8Å; L137-Y176 HydrophobicContact CD1-CE1 4.39Å; L137-Y176 HydrophobicContact CD1-CG 4.44Å; L137-F179 HydrophobicContact CB-CB 4.47Å; L137-F179 HydrophobicContact CB-CD1 3.93Å; L137-F179 HydrophobicContact CB-CD2 3.93Å; L137-F179 HydrophobicContact CB-CE1 4.08Å; L137-F179 HydrophobicContact CB-CE2 4.08Å; L137-F179 HydrophobicContact CB-CG 3.85Å; L137-F179 HydrophobicContact CB-CZ 4.15Å; L137-F179 HydrophobicContact CD1-CB 4.12Å; L137-F179 HydrophobicContact CD1-CD2 3.79Å; L137-F179 HydrophobicContact CD1-CE2 4.45Å; L137-F179 HydrophobicContact CD1-CG 4.05Å; L137-F179 HydrophobicContact CG-CD2 4.49Å; L137-F179 HydrophobicContact CG-CG 4.46Å
138S95.6Very high94.4Very high63 Ų6341.9 Ų41.944%0.44123%0.225SC..Hα-helixtrans-75-31-177.865.50000113.8F134 Y135F134-S138 WeakPolarHBondContact O-CB 3.24Å; F134-S138 PolarHBondContact O-N 3.12Å; F134-S138 PolarHBondContact O-OG 3.18Å; Y135-S138 PolarHBondContact O-OG 3Å
139T94.9Very high94.4Very high18 Ų1833 Ų3311%0.1119%0.186CC..SBendtrans-73.7127.8-177.3-58.80000110.9Y135 K143 L144 K153Y135-T139 WeakPolarHBondContact CD2-OG1 3.22Å; Y135-T139 WeakPolarHBondContact CE2-OG1 3.44Å; Y135-T139 WeakPolarHBondContact O-CB 3.32Å; Y135-T139 PolarHBondContact O-N 3.48Å; Y135-T139 PolarHBondContact O-OG1 3.19Å; T139-K143 HydrophobicContact CG2-CB 3.93Å; T139-L144 HydrophobicContact CG2-CB 4.14Å; T139-L144 HydrophobicContact CG2-CD1 4.21Å; T139-K153 PolarHBondContact O-NZ 3.05Å
140P93.1Very high94.4Very high47 Ų4732.5 Ų32.531%0.30518%0.18SC..  trans-68.4156176.829.6-35.1000111.4S142 K143 L144P140-S142 PolarHBondContact O-N 3.46Å; P140-K143 HydrophobicContact CG-CB 4.02Å; P140-K143 HydrophobicContact CG-CD 3.89Å; P140-K143 HydrophobicContact CG-CG 3.88Å; P140-K143 PolarHBondContact O-N 3.47Å; P140-K143 VanDerWaalsContact O-N 3.12Å; P140-L144 PolarHBondContact O-N 2.72Å; P140-L144 VanDerWaalsContact O-N 3.16Å
141E92Very high94.6Very high35 Ų3530.5 Ų30.516%0.16416%0.158CC..Hα-helixtrans-59.9-35.2-174.9-47.3-165.6149.600112.7R24 N28 K143 M150R24-E141 IonicContact CZ-OE1 3.34Å; R24-E141 VanDerWaalsContact CZ-OE1 3.23Å; R24-E141 IonicContact CZ-OE2 3.24Å; R24-E141 IonicContact NE-OE1 4Å; R24-E141 IonicContact NH1-OE1 2.92Å; R24-E141 PolarHBondContact NH1-OE1 2.9Å; R24-E141 IonicContact NH2-OE1 3.7Å; N28-E141 WeakPolarHBondContact ND2-CB 3.44Å; N28-E141 PolarHBondContact ND2-OE2 3.05Å; E141-K143 VanDerWaalsContact C-N 3.32Å; E141-K143 PolarHBondContact O-N 3.08Å; E141-M150 HydrophobicContact CB-CE 3.92Å; E141-M150 HydrophobicContact CB-SD 3.85Å; E141-M150 HydrophobicContact CG-CE 3.43Å; E141-M150 VanDerWaalsContact CG-CE 3.43Å; E141-M150 HydrophobicContact CG-SD 3.96Å; E141-M150 WeakPolarHBondContact OE1-CE 3.38Å
142S88.9Confident94.8Very high4 Ų429.7 Ų29.73%0.02815%0.148CC..Hα-helixtrans-60.4-38.2177.949.40000112.6N28 E31 P140 K145N28-S142 VanDerWaalsContact OD1-CA 3.25Å; N28-S142 WeakPolarHBondContact OD1-CA 3.28Å; N28-S142 VanDerWaalsContact OD1-CB 3.3Å; N28-S142 WeakPolarHBondContact OD1-CB 3.49Å; N28-S142 PolarHBondContact OD1-N 3.25Å; E31-S142 WeakPolarHBondContact OE2-CB 3.12Å; E31-S142 PolarHBondContact OE2-OG 3.13Å; P140-S142 PolarHBondContact O-N 3.46Å; S142-K145 WeakPolarHBondContact O-CE 3.41Å; S142-K145 WeakPolarHBondContact O-CG 3.42Å
143K91.1Very high94.8Very high122 Ų12230.1 Ų30.153%0.5315%0.15SC..Hα-helixtrans-87.9-30.2-177.4-69.5-171.4178.6-177.20113.9T139 P140 E141 K145T139-K143 HydrophobicContact CG2-CB 3.93Å; P140-K143 HydrophobicContact CG-CB 4.02Å; P140-K143 HydrophobicContact CG-CD 3.89Å; P140-K143 HydrophobicContact CG-CG 3.88Å; P140-K143 PolarHBondContact O-N 3.47Å; P140-K143 VanDerWaalsContact O-N 3.12Å; E141-K143 VanDerWaalsContact C-N 3.32Å; E141-K143 PolarHBondContact O-N 3.08Å; K143-K145 VanDerWaalsContact C-N 3.29Å; K143-K145 PolarHBondContact O-N 2.91Å
144L92.1Very high94.9Very high2 Ų233 Ų331%0.0116%0.161CC..Hα-helixtrans-64.4-35.8-176.6-166.362.5000112.1L72 Y135 I136 T139 P140 S146 M150L72-L144 HydrophobicContact CD2-CD1 4.32Å; Y135-L144 HydrophobicContact CE1-CD1 3.96Å; I136-L144 HydrophobicContact CD1-CD1 4.17Å; T139-L144 HydrophobicContact CG2-CB 4.14Å; T139-L144 HydrophobicContact CG2-CD1 4.21Å; P140-L144 PolarHBondContact O-N 2.72Å; P140-L144 VanDerWaalsContact O-N 3.16Å; L144-S146 PolarHBondContact O-N 3Å; L144-M150 HydrophobicContact CD2-CG 4.37Å; L144-M150 HydrophobicContact CD2-SD 3.74Å
145K90.1Very high94.9Very high56 Ų5633 Ų3324%0.24316%0.163CC..  trans47.729.6174.2-60.6-175.5-178.3171.90114.6E35 Y64 S142 K143E35-K145 WeakPolarHBondContact OE2-CE 2.9Å; E35-K145 IonicContact OE2-NZ 2.6Å; E35-K145 PolarHBondContact OE2-NZ 3.42Å; Y64-K145 HydrophobicContact CE1-CB 4.15Å; Y64-K145 HydrophobicContact CE1-CD 4.12Å; Y64-K145 HydrophobicContact CE2-CD 3.95Å; Y64-K145 VanDerWaalsContact CZ-CD 3.48Å; Y64-K145 WeakPolarHBondContact OH-CD 3.41Å; S142-K145 WeakPolarHBondContact O-CE 3.41Å; S142-K145 WeakPolarHBondContact O-CG 3.42Å; K143-K145 VanDerWaalsContact C-N 3.29Å; K143-K145 PolarHBondContact O-N 2.91Å
146S94.4Very high94.9Very high5 Ų532.9 Ų32.94%0.03516%0.162CC..  trans-139.6129.9-178.2170.40000111.3C71 L144 L148 G149 M150C71-S146 VanDerWaalsContact O-CB 3.24Å; C71-S146 WeakPolarHBondContact O-CB 3.42Å; C71-S146 PolarHBondContact O-OG 2.84Å; L144-S146 PolarHBondContact O-N 3Å; S146-L148 PolarHBondContact OG-N 2.79Å; S146-G149 PolarHBondContact O-N 3.46Å; S146-G149 PolarHBondContact OG-N 3.03Å; S146-M150 WeakPolarHBondContact O-CG 3.48Å; S146-M150 PolarHBondContact O-N 3.12Å; S146-M150 VanDerWaalsContact O-N 3.12Å
147R94.7Very high94.9Very high56 Ų5633.1 Ų33.121%0.21116%0.163CC..Hα-helixtrans-66.7-43.2175.5-66.8-74-64.9134.910.1111.8Q69 G149 M150 H151 G190 E195Q69-R147 HydrophobicContact CB-CB 4.04Å; Q69-R147 HydrophobicContact CB-CG 3.81Å; Q69-R147 HydrophobicContact CG-CG 4.2Å; Q69-R147 WeakPolarHBondContact O-CB 3.4Å; Q69-R147 PolarHBondContact O-N 2.97Å; Q69-R147 VanDerWaalsContact OE1-CG 3.31Å; R147-G149 VanDerWaalsContact C-N 3.31Å; R147-G149 PolarHBondContact O-N 3.43Å; R147-M150 PolarHBondContact O-N 3.39Å; R147-H151 PolarHBondContact NH2-NE2 2.85Å; R147-H151 PolarHBondContact O-N 3.32Å; R147-G190 PolarHBondContact NH1-O 3.4Å; R147-E195 IonicContact CZ-OE1 2.83Å; R147-E195 IonicContact CZ-OE2 3.78Å; R147-E195 IonicContact NH1-OE2 3.98Å; R147-E195 PolarHBondContact NH1-OE2 3.45Å; R147-E195 IonicContact NH2-OE1 2.96Å; R147-E195 PolarHBondContact NH2-OE1 3.48Å; R147-E195 IonicContact NH2-OE2 2.59Å; R147-E195 PolarHBondContact NH2-OE2 3.46Å
148L96.2Very high94.9Very high53 Ų5333.6 Ų33.628%0.27717%0.167SC..Hα-helixtrans-57.4-46.2174.9176140000110.8Q69 K70 L72 I116 S146 M150 H151 L152Q69-L148 PolarHBondContact O-N 3.49Å; K70-L148 WeakPolarHBondContact O-CD1 3.5Å; L72-L148 HydrophobicContact CD1-CD2 4.42Å; L72-L148 HydrophobicContact CD2-CD2 4.2Å; L72-L148 HydrophobicContact CG-CD2 4.07Å; I116-L148 HydrophobicContact CD1-CD2 4.24Å; I116-L148 HydrophobicContact CG2-CD2 4.31Å; S146-L148 PolarHBondContact OG-N 2.79Å; L148-M150 VanDerWaalsContact C-N 3.31Å; L148-M150 PolarHBondContact O-N 2.95Å; L148-H151 PolarHBondContact O-N 3.16Å; L148-L152 HydrophobicContact CD2-CD1 3.66Å; L148-L152 HydrophobicContact CD2-CG 4.4Å; L148-L152 HydrophobicContact CG-CD1 4.36Å; L148-L152 WeakPolarHBondContact O-CG 3.4Å; L148-L152 PolarHBondContact O-N 3.47Å
149G96.5Very high94.9Very high0 Ų032.8 Ų32.80%016%0.159CC..Hα-helixtrans-59.5-41.6177.200000112.6S146 R147 L152 K153S146-G149 PolarHBondContact O-N 3.46Å; S146-G149 PolarHBondContact OG-N 3.03Å; R147-G149 VanDerWaalsContact C-N 3.31Å; R147-G149 PolarHBondContact O-N 3.43Å; G149-L152 PolarHBondContact O-N 3.28Å; G149-K153 WeakPolarHBondContact O-CB 3.46Å; G149-K153 PolarHBondContact O-N 3.07Å
150M96.3Very high94.9Very high14 Ų1431.9 Ų31.97%0.06915%0.154CC..Hα-helixtrans-67.6-35.9176.9-71.2-46.6-55.900113.2E141 L144 S146 R147 L148 K153 R154 I189E141-M150 HydrophobicContact CB-CE 3.92Å; E141-M150 HydrophobicContact CB-SD 3.85Å; E141-M150 HydrophobicContact CG-CE 3.43Å; E141-M150 VanDerWaalsContact CG-CE 3.43Å; E141-M150 HydrophobicContact CG-SD 3.96Å; E141-M150 WeakPolarHBondContact OE1-CE 3.38Å; L144-M150 HydrophobicContact CD2-CG 4.37Å; L144-M150 HydrophobicContact CD2-SD 3.74Å; S146-M150 WeakPolarHBondContact O-CG 3.48Å; S146-M150 PolarHBondContact O-N 3.12Å; S146-M150 VanDerWaalsContact O-N 3.12Å; R147-M150 PolarHBondContact O-N 3.39Å; L148-M150 VanDerWaalsContact C-N 3.31Å; L148-M150 PolarHBondContact O-N 2.95Å; M150-K153 HydrophobicContact CE-CD 4.24Å; M150-K153 PolarHBondContact O-N 2.7Å; M150-R154 PolarHBondContact O-N 3.06Å; M150-I189 HydrophobicContact CE-CG2 4.27Å
151H96.7Very high95Very high65 Ų6529.9 Ų29.930%0.30114%0.141SC..Hα-helixtrans-65.5-46.3174.3-71.6176.6000111.5R147 L148 K153 R154 D155 E195R147-H151 PolarHBondContact NH2-NE2 2.85Å; R147-H151 PolarHBondContact O-N 3.32Å; L148-H151 PolarHBondContact O-N 3.16Å; H151-K153 VanDerWaalsContact C-N 3.32Å; H151-K153 PolarHBondContact O-N 2.68Å; H151-R154 WeakPolarHBondContact O-CB 3.48Å; H151-R154 PolarHBondContact O-N 3.19Å; H151-D155 VanDerWaalsContact O-CG 3.3Å; H151-D155 PolarHBondContact O-N 3.48Å; H151-E195 IonicContact NE2-OE1 2.6Å
152L97.3Very high95.1Very high9 Ų933 Ų335%0.04715%0.154CC..Hα-helixtrans-59.5-44.1174.6-69.7176.3000111.5L110 M114 I116 F132 I136 L148 G149 R154 D155 M156L110-L152 HydrophobicContact CD1-CD2 3.93Å; M114-L152 HydrophobicContact CE-CD2 4.24Å; M114-L152 HydrophobicContact SD-CD2 3.74Å; I116-L152 HydrophobicContact CD1-CD1 4.26Å; F132-L152 HydrophobicContact CE1-CD1 4.17Å; F132-L152 HydrophobicContact CZ-CD1 3.75Å; I136-L152 HydrophobicContact CG2-CB 4.39Å; L148-L152 HydrophobicContact CD2-CD1 3.66Å; L148-L152 HydrophobicContact CD2-CG 4.4Å; L148-L152 HydrophobicContact CG-CD1 4.36Å; L148-L152 WeakPolarHBondContact O-CG 3.4Å; L148-L152 PolarHBondContact O-N 3.47Å; G149-L152 PolarHBondContact O-N 3.28Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.33Å; L152-D155 PolarHBondContact O-N 3.16Å; L152-M156 HydrophobicContact CB-CE 4.34Å; L152-M156 WeakPolarHBondContact O-CB 3.38Å; L152-M156 VanDerWaalsContact O-CG 3.23Å; L152-M156 WeakPolarHBondContact O-CG 3.33Å; L152-M156 PolarHBondContact O-N 3.12Å
153K97.3Very high95.3Very high21 Ų2133.2 Ų33.29%0.09116%0.156CC..Hα-helixtrans-57.3-46.2176.6-170.5168.8-168.3154.90112I136 L137 T139 G149 M150 H151 L157 I189I136-K153 HydrophobicContact CG2-CB 3.63Å; I136-K153 HydrophobicContact CG2-CG 4.22Å; I136-K153 WeakPolarHBondContact O-CD 3.47Å; I136-K153 PolarHBondContact O-NZ 2.84Å; L137-K153 HydrophobicContact CD2-CG 4.43Å; L137-K153 WeakPolarHBondContact O-CE 3.3Å; L137-K153 PolarHBondContact O-NZ 3.35Å; T139-K153 PolarHBondContact O-NZ 3.05Å; G149-K153 WeakPolarHBondContact O-CB 3.46Å; G149-K153 PolarHBondContact O-N 3.07Å; M150-K153 HydrophobicContact CE-CD 4.24Å; M150-K153 PolarHBondContact O-N 2.7Å; H151-K153 VanDerWaalsContact C-N 3.32Å; H151-K153 PolarHBondContact O-N 2.68Å; K153-L157 HydrophobicContact CG-CD1 3.91Å; K153-L157 WeakPolarHBondContact O-CB 3.31Å; K153-L157 WeakPolarHBondContact O-CD1 3.46Å; K153-L157 VanDerWaalsContact O-CG 3.23Å; K153-L157 WeakPolarHBondContact O-CG 3.38Å; K153-L157 PolarHBondContact O-N 3.31Å; K153-I189 HydrophobicContact CG-CG2 4.34Å
154R97.2Very high95.3Very high65 Ų6533.9 Ų33.925%0.24516%0.159CC..Hα-helixtrans-60.8-48.2176.1-17517850.484.820.4111.3M150 H151 L152 M156 L157 V158 E187 I189M150-R154 PolarHBondContact O-N 3.06Å; H151-R154 WeakPolarHBondContact O-CB 3.48Å; H151-R154 PolarHBondContact O-N 3.19Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.33Å; R154-M156 PolarHBondContact O-N 3.23Å; R154-L157 PolarHBondContact O-N 3.33Å; R154-V158 HydrophobicContact CG-CG2 4.34Å; R154-V158 WeakPolarHBondContact O-CB 3.28Å; R154-V158 VanDerWaalsContact O-CG2 3.24Å; R154-V158 WeakPolarHBondContact O-CG2 3.49Å; R154-V158 PolarHBondContact O-N 3.27Å; R154-E187 WeakPolarHBondContact CD-O 3.4Å; R154-I189 WeakPolarHBondContact CB-O 3.39Å; R154-I189 WeakPolarHBondContact CD-O 3.24Å; R154-I189 WeakPolarHBondContact CG-O 3.24Å
155D97.1Very high95.2Very high48 Ų4840.8 Ų40.826%0.25719%0.193SC..Hα-helixtrans-63.7-40.9-178-67-9.5000111.4L110 H151 L152 V158 T159L110-D155 HydrophobicContact CD2-CB 4.11Å; H151-D155 VanDerWaalsContact O-CG 3.3Å; H151-D155 PolarHBondContact O-N 3.48Å; L152-D155 PolarHBondContact O-N 3.16Å; D155-V158 PolarHBondContact O-N 3.28Å; D155-T159 WeakPolarHBondContact O-CB 3.34Å; D155-T159 VanDerWaalsContact O-CG2 3.3Å; D155-T159 WeakPolarHBondContact O-CG2 3.34Å; D155-T159 PolarHBondContact O-N 3.22Å; D155-T159 PolarHBondContact O-OG1 2.96Å
156M96.7Very high95.2Very high0 Ų043.7 Ų43.70%021%0.211CC..Hα-helixtrans-63.1-43.4174.3-69.4170.3-176.400112.3I109 L110 F132 D133 I136 L137 L152 R154 T159 L160I109-M156 HydrophobicContact CB-CG 4.28Å; I109-M156 HydrophobicContact CD1-CB 4.17Å; I109-M156 HydrophobicContact CD1-CG 4.23Å; I109-M156 HydrophobicContact CD1-SD 4.46Å; I109-M156 HydrophobicContact CG2-CB 4.09Å; I109-M156 HydrophobicContact CG2-CG 4.2Å; L110-M156 HydrophobicContact CD1-CE 4.26Å; L110-M156 HydrophobicContact CD1-CG 4.22Å; L110-M156 HydrophobicContact CD2-CG 4.34Å; L110-M156 HydrophobicContact CG-CG 4.09Å; F132-M156 HydrophobicContact CD1-CE 4.23Å; F132-M156 HydrophobicContact CE1-CE 3.89Å; D133-M156 HydrophobicContact CB-CE 4.42Å; D133-M156 HydrophobicContact CB-SD 4.41Å; D133-M156 WeakPolarHBondContact OD1-CE 3.41Å; I136-M156 HydrophobicContact CB-CE 4.42Å; I136-M156 HydrophobicContact CB-SD 4.08Å; I136-M156 HydrophobicContact CG1-CE 4.45Å; I136-M156 HydrophobicContact CG2-CE 4.43Å; I136-M156 HydrophobicContact CG2-SD 3.87Å; L137-M156 HydrophobicContact CD2-CB 4.03Å; L137-M156 HydrophobicContact CD2-SD 4.47Å; L137-M156 HydrophobicContact CG-SD 4.34Å; L152-M156 HydrophobicContact CB-CE 4.34Å; L152-M156 WeakPolarHBondContact O-CB 3.38Å; L152-M156 VanDerWaalsContact O-CG 3.23Å; L152-M156 WeakPolarHBondContact O-CG 3.33Å; L152-M156 PolarHBondContact O-N 3.12Å; R154-M156 PolarHBondContact O-N 3.23Å; M156-T159 VanDerWaalsContact C-OG1 3.29Å; M156-T159 VanDerWaalsContact CA-OG1 3.29Å; M156-T159 WeakPolarHBondContact CA-OG1 3.33Å; M156-T159 PolarHBondContact O-OG1 3.45Å; M156-L160 WeakPolarHBondContact O-CB 3.49Å; M156-L160 VanDerWaalsContact O-CG 3.27Å; M156-L160 WeakPolarHBondContact O-CG 3.42Å; M156-L160 PolarHBondContact O-N 3.29Å
157L97.1Very high94.9Very high5 Ų546.6 Ų46.63%0.02624%0.241CC..Hα-helixtrans-70.1-37.4179.7-69.1169.4000112L137 K153 R154 A161 F179 I181 A186 I189L137-L157 HydrophobicContact CD2-CD1 4.41Å; L137-L157 HydrophobicContact CD2-CD2 3.67Å; L137-L157 HydrophobicContact CD2-CG 3.76Å; K153-L157 HydrophobicContact CG-CD1 3.91Å; K153-L157 WeakPolarHBondContact O-CB 3.31Å; K153-L157 WeakPolarHBondContact O-CD1 3.46Å; K153-L157 VanDerWaalsContact O-CG 3.23Å; K153-L157 WeakPolarHBondContact O-CG 3.38Å; K153-L157 PolarHBondContact O-N 3.31Å; R154-L157 PolarHBondContact O-N 3.33Å; L157-A161 VanDerWaalsContact O-CB 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.38Å; L157-A161 PolarHBondContact O-N 3.38Å; L157-F179 HydrophobicContact CD2-CB 4.22Å; L157-F179 WeakPolarHBondContact CD2-O 3.17Å; L157-I181 HydrophobicContact CD1-CD1 4.36Å; L157-I181 HydrophobicContact CD2-CD1 4.28Å; L157-A186 HydrophobicContact CB-CB 4.04Å; L157-I189 HydrophobicContact CD1-CB 4.42Å; L157-I189 HydrophobicContact CD1-CD1 3.39Å; L157-I189 HydrophobicContact CD1-CG1 4.44Å; L157-I189 HydrophobicContact CD1-CG2 3.96Å
158V96.8Very high94.4Very high18 Ų1851.8 Ų51.811%0.10927%0.265CS..Hα-helixtrans-66.8-41.6176168.40000111.3R154 D155 A161 K162 L183 A186 E187R154-V158 HydrophobicContact CG-CG2 4.34Å; R154-V158 WeakPolarHBondContact O-CB 3.28Å; R154-V158 VanDerWaalsContact O-CG2 3.24Å; R154-V158 WeakPolarHBondContact O-CG2 3.49Å; R154-V158 PolarHBondContact O-N 3.27Å; D155-V158 PolarHBondContact O-N 3.28Å; V158-A161 PolarHBondContact O-N 3.34Å; V158-K162 HydrophobicContact CG1-CD 4.07Å; V158-K162 HydrophobicContact CG1-CG 4.48Å; V158-K162 WeakPolarHBondContact O-CB 3.3Å; V158-K162 VanDerWaalsContact O-CG 3.31Å; V158-K162 WeakPolarHBondContact O-CG 3.44Å; V158-K162 PolarHBondContact O-N 3.09Å; V158-L183 HydrophobicContact CG1-CD1 3.99Å; V158-A186 HydrophobicContact CG2-CB 4.04Å; V158-E187 HydrophobicContact CG2-CG 4.12Å
159T95.8Very high93.7Very high45 Ų4553 Ų5328%0.27627%0.271SS..Hα-helixtrans-64.3-46.3176.543.80000111.3I109 L110 D155 M156 A161 K162 A163I109-T159 WeakPolarHBondContact CG2-OG1 3.44Å; L110-T159 HydrophobicContact CD2-CG2 4.04Å; D155-T159 WeakPolarHBondContact O-CB 3.34Å; D155-T159 VanDerWaalsContact O-CG2 3.3Å; D155-T159 WeakPolarHBondContact O-CG2 3.34Å; D155-T159 PolarHBondContact O-N 3.22Å; D155-T159 PolarHBondContact O-OG1 2.96Å; M156-T159 VanDerWaalsContact C-OG1 3.29Å; M156-T159 VanDerWaalsContact CA-OG1 3.29Å; M156-T159 WeakPolarHBondContact CA-OG1 3.33Å; M156-T159 PolarHBondContact O-OG1 3.45Å; T159-A161 PolarHBondContact O-N 3.22Å; T159-K162 PolarHBondContact O-N 3.34Å; T159-A163 WeakPolarHBondContact O-CB 3.27Å; T159-A163 PolarHBondContact O-N 3.24Å
160L95.5Very high93.1Very high0 Ų058.1 Ų58.10%029%0.294CS..Hα-helixtrans-59.7-42.8173.9-70.9174.8000112.6I109 L137 M156 A163 K164I109-L160 HydrophobicContact CD1-CD1 4.17Å; I109-L160 HydrophobicContact CG2-CD2 4.42Å; I109-L160 HydrophobicContact CG2-CG 4.19Å; L137-L160 HydrophobicContact CD1-CD1 4.31Å; M156-L160 WeakPolarHBondContact O-CB 3.49Å; M156-L160 VanDerWaalsContact O-CG 3.27Å; M156-L160 WeakPolarHBondContact O-CG 3.42Å; M156-L160 PolarHBondContact O-N 3.29Å; L160-A163 PolarHBondContact O-N 3.43Å; L160-K164 PolarHBondContact O-N 3.2Å
161A95.4Very high92.5Very high4 Ų467.5 Ų67.53%0.03334%0.335CS..Hα-helixtrans-64.4-44.4177.700000112L157 V158 T159 K164 M165 I181 L183L157-A161 VanDerWaalsContact O-CB 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.38Å; L157-A161 PolarHBondContact O-N 3.38Å; V158-A161 PolarHBondContact O-N 3.34Å; T159-A161 PolarHBondContact O-N 3.22Å; A161-K164 PolarHBondContact O-N 3.09Å; A161-M165 WeakPolarHBondContact O-CG 3.4Å; A161-M165 PolarHBondContact O-N 2.94Å; A161-I181 WeakPolarHBondContact CB-O 3.12Å; A161-L183 HydrophobicContact CB-CB 4.06Å; A161-L183 HydrophobicContact CB-CD1 4.17Å
162K94.8Very high91.9Very high102 Ų10265.7 Ų65.744%0.44333%0.333SS..Hα-helixtrans-64.9-41176.4-74.7178.1179.8-179.60112.1V158 T159 K164 M165 N166 L183V158-K162 HydrophobicContact CG1-CD 4.07Å; V158-K162 HydrophobicContact CG1-CG 4.48Å; V158-K162 WeakPolarHBondContact O-CB 3.3Å; V158-K162 VanDerWaalsContact O-CG 3.31Å; V158-K162 WeakPolarHBondContact O-CG 3.44Å; V158-K162 PolarHBondContact O-N 3.09Å; T159-K162 PolarHBondContact O-N 3.34Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 2.86Å; K162-M165 PolarHBondContact O-N 3.13Å; K162-N166 WeakPolarHBondContact O-CB 3.34Å; K162-N166 VanDerWaalsContact O-CG 3.22Å; K162-N166 PolarHBondContact O-N 2.9Å; K162-N166 PolarHBondContact O-ND2 3.24Å; K162-L183 HydrophobicContact CG-CD1 4.03Å; K162-L183 HydrophobicContact CG-CD2 4.46Å
163A92.5Very high91.5Very high8 Ų866.2 Ų66.27%0.06634%0.335CS..Hα-helixtrans-60.6-44.2176.800000111.8T159 L160 N166 G167 K168 M169 W173T159-A163 WeakPolarHBondContact O-CB 3.27Å; T159-A163 PolarHBondContact O-N 3.24Å; L160-A163 PolarHBondContact O-N 3.43Å; A163-N166 PolarHBondContact O-N 3.04Å; A163-G167 PolarHBondContact O-N 2.81Å; A163-K168 PolarHBondContact O-N 3.27Å; A163-K168 VanDerWaalsContact O-N 3.17Å; A163-M169 HydrophobicContact CB-SD 3.63Å; A163-W173 HydrophobicContact CB-CE3 4.02Å; A163-W173 HydrophobicContact CB-CH2 4.4Å; A163-W173 HydrophobicContact CB-CZ3 3.43Å; A163-W173 VanDerWaalsContact CB-CZ3 3.43Å
164K91.3Very high91.1Very high135 Ų13573 Ų7359%0.58737%0.367SS*.Hα-helixtrans-62.8-42174.9-176.4170.4177.2-1800112.3L160 A161 K162 G167 I180L160-K164 PolarHBondContact O-N 3.2Å; A161-K164 PolarHBondContact O-N 3.09Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 2.86Å; K164-G167 PolarHBondContact O-N 3.5Å; K164-I180 HydrophobicContact CB-CG2 4.45Å; K164-I180 HydrophobicContact CD-CD1 4.47Å; K164-I180 HydrophobicContact CD-CG2 3.53Å
165M89.8Confident90.8Very high148 Ų14875.4 Ų75.473%0.72938%0.379SS*.Hα-helixtrans-65.3-38.8176.7-71.7-63.4-66.100112.6A161 K162 G167A161-M165 WeakPolarHBondContact O-CG 3.4Å; A161-M165 PolarHBondContact O-N 2.94Å; K162-M165 PolarHBondContact O-N 3.13Å; M165-G167 VanDerWaalsContact C-N 3.34Å
166N90.7Very high90.7Very high117 Ų11773.3 Ų73.363%0.62637%0.368SS*.Hα-helixtrans-83.6-8.3-178-66.9-18.1000113.6K162 A163 K168K162-N166 WeakPolarHBondContact O-CB 3.34Å; K162-N166 VanDerWaalsContact O-CG 3.22Å; K162-N166 PolarHBondContact O-N 2.9Å; K162-N166 PolarHBondContact O-ND2 3.24Å; A163-N166 PolarHBondContact O-N 3.04Å; N166-K168 HydrophobicContact CB-CG 4.45Å; N166-K168 PolarHBondContact O-N 3.14Å
167G87Confident90.5Very high65 Ų6576.8 Ų76.867%0.6739%0.392SS*.THydrogen-bonded Turntrans67.413.2-173.900000114.6A163 K164 M165A163-G167 PolarHBondContact O-N 2.81Å; K164-G167 PolarHBondContact O-N 3.5Å; M165-G167 VanDerWaalsContact C-N 3.34Å
168K84.3Confident90.3Very high165 Ų16585.4 Ų85.472%0.71743%0.429SS*.  trans-104.366.5-177.9-65.3-176.1-178.4-177.90110.3A163 N166A163-K168 PolarHBondContact O-N 3.27Å; A163-K168 VanDerWaalsContact O-N 3.17Å; N166-K168 HydrophobicContact CB-CG 4.45Å; N166-K168 PolarHBondContact O-N 3.14Å
169M81Confident90.2Very high79 Ų7986.8 Ų86.839%0.38943%0.434SS..PPolyproline II helixtrans-82.8122.6174.6-67.5-65.9-68.100109.5A163 W173 I180A163-M169 HydrophobicContact CB-SD 3.63Å; M169-W173 HydrophobicContact CE-CB 3.85Å; M169-W173 HydrophobicContact CE-CE3 4.13Å; M169-W173 HydrophobicContact SD-CE3 4.1Å; M169-I180 HydrophobicContact CE-CD1 4.32Å
170E84.5Confident90.1Very high107 Ų10786.7 Ų86.750%0.543%0.431SS..PPolyproline II helixtrans-71.5155.3176.3-64.7-177.7179.600112G172 W173E170-G172 PolarHBondContact O-N 2.98Å; E170-W173 HydrophobicContact CB-CD2 3.79Å; E170-W173 HydrophobicContact CB-CE3 4.01Å; E170-W173 HydrophobicContact CB-CG 4.29Å; E170-W173 HydrophobicContact CB-CH2 4.11Å; E170-W173 HydrophobicContact CB-CZ2 3.93Å; E170-W173 HydrophobicContact CB-CZ3 4.13Å; E170-W173 HydrophobicContact CG-CD2 4.38Å; E170-W173 HydrophobicContact CG-CE3 4.3Å; E170-W173 HydrophobicContact CG-CH2 3.61Å; E170-W173 HydrophobicContact CG-CZ2 3.72Å; E170-W173 HydrophobicContact CG-CZ3 3.89Å; E170-W173 VanDerWaalsContact N-CE3 3.34Å; E170-W173 PolarHBondContact O-N 2.93Å; E170-W173 WeakPolarHBondContact OE2-CZ2 3.37Å
171K83.2Confident90.1Very high212 Ų21289 Ų8992%0.92244%0.443SS*.THydrogen-bonded Turntrans-63.3123.5176.5-66.4-179.3-179.7177.90108.9
172G83.5Confident90.1Very high26 Ų2692.8 Ų92.827%0.26847%0.467SS..THydrogen-bonded Turntrans105.4-16.6179.800000114.7E170 E174 K175E170-G172 PolarHBondContact O-N 2.98Å; G172-E174 PolarHBondContact O-N 3.5Å; G172-K175 VanDerWaalsContact O-CG 3.29Å; G172-K175 WeakPolarHBondContact O-CG 2.97Å; G172-K175 PolarHBondContact O-N 3.32Å
173W89.1Confident90.1Very high21 Ų2190.5 Ų90.58%0.0846%0.46CS..G310 helixtrans-72.4-9.6176.5-69.6-3.5000114.2E108 A163 M169 E170 K175 Y176E108-W173 PolarHBondContact O-NE1 2.66Å; A163-W173 HydrophobicContact CB-CE3 4.02Å; A163-W173 HydrophobicContact CB-CH2 4.4Å; A163-W173 HydrophobicContact CB-CZ3 3.43Å; A163-W173 VanDerWaalsContact CB-CZ3 3.43Å; M169-W173 HydrophobicContact CE-CB 3.85Å; M169-W173 HydrophobicContact CE-CE3 4.13Å; M169-W173 HydrophobicContact SD-CE3 4.1Å; E170-W173 HydrophobicContact CB-CD2 3.79Å; E170-W173 HydrophobicContact CB-CE3 4.01Å; E170-W173 HydrophobicContact CB-CG 4.29Å; E170-W173 HydrophobicContact CB-CH2 4.11Å; E170-W173 HydrophobicContact CB-CZ2 3.93Å; E170-W173 HydrophobicContact CB-CZ3 4.13Å; E170-W173 HydrophobicContact CG-CD2 4.38Å; E170-W173 HydrophobicContact CG-CE3 4.3Å; E170-W173 HydrophobicContact CG-CH2 3.61Å; E170-W173 HydrophobicContact CG-CZ2 3.72Å; E170-W173 HydrophobicContact CG-CZ3 3.89Å; E170-W173 VanDerWaalsContact N-CE3 3.34Å; E170-W173 PolarHBondContact O-N 2.93Å; E170-W173 WeakPolarHBondContact OE2-CZ2 3.37Å; W173-K175 PolarHBondContact O-N 2.8Å; W173-K175 VanDerWaalsContact O-N 3.13Å; W173-Y176 PolarHBondContact O-N 3.43Å
174E89.1Confident90.3Very high164 Ų16497.6 Ų97.677%0.76649%0.491SS*.G310 helixtrans-53.1-32.7172.6-65.2175.7-173.200112.2G172 Y176 S177G172-E174 PolarHBondContact O-N 3.5Å; E174-Y176 PolarHBondContact O-N 2.93Å; E174-S177 VanDerWaalsContact O-CB 3.25Å; E174-S177 WeakPolarHBondContact O-CB 3.11Å; E174-S177 PolarHBondContact O-N 2.87Å; E174-S177 VanDerWaalsContact O-N 3.16Å; E174-S177 PolarHBondContact O-OG 2.6Å
175K92.2Very high90.5Very high114 Ų11494.5 Ų94.550%0.49648%0.479SS..G310 helixtrans-61.3-29.3177.4-48.7170.1-171.8165.80112.3E108 F134 G172 W173E108-K175 IonicContact OE2-NZ 3.57Å; F134-K175 HydrophobicContact CE2-CB 4.19Å; F134-K175 HydrophobicContact CZ-CB 3.7Å; G172-K175 VanDerWaalsContact O-CG 3.29Å; G172-K175 WeakPolarHBondContact O-CG 2.97Å; G172-K175 PolarHBondContact O-N 3.32Å; W173-K175 PolarHBondContact O-N 2.8Å; W173-K175 VanDerWaalsContact O-N 3.13Å
176Y94.3Very high90.8Very high5 Ų587.4 Ų87.42%0.0244%0.444CS..G310 helixtrans-956.2-179.3-55.4-68.4000114I109 D133 F134 L137 W173 E174 K178 F179I109-Y176 HydrophobicContact CD1-CD1 4.07Å; I109-Y176 HydrophobicContact CD1-CD2 3.97Å; I109-Y176 HydrophobicContact CD1-CE1 4.16Å; I109-Y176 HydrophobicContact CD1-CE2 4.09Å; I109-Y176 HydrophobicContact CD1-CG 3.97Å; I109-Y176 HydrophobicContact CG1-CD2 3.89Å; I109-Y176 HydrophobicContact CG1-CE2 3.82Å; I109-Y176 HydrophobicContact CG1-CG 4.4Å; D133-Y176 HydrophobicContact CB-CE1 3.84Å; F134-Y176 HydrophobicContact CD1-CD1 4.21Å; F134-Y176 AromaticContact CD1-CE1 3.99Å; F134-Y176 HydrophobicContact CD1-CE1 3.99Å; F134-Y176 AromaticContact CD2-CE1 3.59Å; F134-Y176 HydrophobicContact CD2-CE1 3.59Å; F134-Y176 AromaticContact CE1-CD1 3.82Å; F134-Y176 HydrophobicContact CE1-CD1 3.82Å; F134-Y176 AromaticContact CE1-CE1 3.85Å; F134-Y176 HydrophobicContact CE1-CE1 3.85Å; F134-Y176 HydrophobicContact CE2-CD1 4.13Å; F134-Y176 AromaticContact CE2-CE1 3.43Å; F134-Y176 HydrophobicContact CE2-CE1 3.43Å; F134-Y176 VanDerWaalsContact CE2-CE1 3.43Å; F134-Y176 AromaticContact CE2-CZ 3.8Å; F134-Y176 AromaticContact CG-CE1 3.85Å; F134-Y176 HydrophobicContact CG-CE1 3.85Å; F134-Y176 AromaticContact CZ-CD1 3.76Å; F134-Y176 HydrophobicContact CZ-CD1 3.76Å; F134-Y176 AromaticContact CZ-CE1 3.56Å; F134-Y176 HydrophobicContact CZ-CE1 3.56Å; L137-Y176 HydrophobicContact CD1-CD1 3.8Å; L137-Y176 HydrophobicContact CD1-CE1 4.39Å; L137-Y176 HydrophobicContact CD1-CG 4.44Å; W173-Y176 PolarHBondContact O-N 3.43Å; E174-Y176 PolarHBondContact O-N 2.93Å; Y176-K178 PolarHBondContact O-N 3.42Å; Y176-F179 HydrophobicContact CD1-CD2 4.34Å; Y176-F179 PolarHBondContact O-N 3.13Å
177S91.9Very high91.1Very high72 Ų7285.5 Ų85.550%0.50343%0.431SS..G310 helixtrans-49.6-35.1-179.651.90000114.2E174 F179 I180E174-S177 VanDerWaalsContact O-CB 3.25Å; E174-S177 WeakPolarHBondContact O-CB 3.11Å; E174-S177 PolarHBondContact O-N 2.87Å; E174-S177 VanDerWaalsContact O-N 3.16Å; E174-S177 PolarHBondContact O-OG 2.6Å; S177-F179 PolarHBondContact O-N 3.33Å; S177-I180 PolarHBondContact O-N 2.95Å
178K93.7Very high91.5Very high187 Ų18783.1 Ų83.181%0.81340%0.402SS*.G310 helixtrans-62.7-24.5178.6-62.4179.8-177.21760114.2Y176Y176-K178 PolarHBondContact O-N 3.42Å
179F94.7Very high92Very high46 Ų4675.7 Ų75.720%0.20237%0.37CS..G310 helixtrans-100.14.7-174.1-56.8-69.2000113.2F134 L137 L157 Y176 S177 I181F134-F179 AromaticContact CD1-CE2 3.85Å; F134-F179 HydrophobicContact CD1-CE2 3.85Å; F134-F179 HydrophobicContact CD1-CZ 4.44Å; F134-F179 AromaticContact CE1-CE2 3.86Å; F134-F179 HydrophobicContact CE1-CE2 3.86Å; L137-F179 HydrophobicContact CB-CB 4.47Å; L137-F179 HydrophobicContact CB-CD1 3.93Å; L137-F179 HydrophobicContact CB-CD2 3.93Å; L137-F179 HydrophobicContact CB-CE1 4.08Å; L137-F179 HydrophobicContact CB-CE2 4.08Å; L137-F179 HydrophobicContact CB-CG 3.85Å; L137-F179 HydrophobicContact CB-CZ 4.15Å; L137-F179 HydrophobicContact CD1-CB 4.12Å; L137-F179 HydrophobicContact CD1-CD2 3.79Å; L137-F179 HydrophobicContact CD1-CE2 4.45Å; L137-F179 HydrophobicContact CD1-CG 4.05Å; L137-F179 HydrophobicContact CG-CD2 4.49Å; L137-F179 HydrophobicContact CG-CG 4.46Å; L157-F179 HydrophobicContact CD2-CB 4.22Å; L157-F179 WeakPolarHBondContact CD2-O 3.17Å; Y176-F179 HydrophobicContact CD1-CD2 4.34Å; Y176-F179 PolarHBondContact O-N 3.13Å; S177-F179 PolarHBondContact O-N 3.33Å; F179-I181 PolarHBondContact O-N 2.99Å
180I93.7Very high92.5Very high43 Ų4372.1 Ų72.122%0.22135%0.354CS..  trans-75.4117.1-176.8-56.7170.8000110.3K164 M169 S177K164-I180 HydrophobicContact CB-CG2 4.45Å; K164-I180 HydrophobicContact CD-CD1 4.47Å; K164-I180 HydrophobicContact CD-CG2 3.53Å; M169-I180 HydrophobicContact CE-CD1 4.32Å; S177-I180 PolarHBondContact O-N 2.95Å
181I94.4Very high93Very high48 Ų4868.3 Ų68.325%0.24634%0.337CS..  trans-116.3152.9-179.6-64.7171.8000108.5L157 A161 F179 E185 I189L157-I181 HydrophobicContact CD1-CD1 4.36Å; L157-I181 HydrophobicContact CD2-CD1 4.28Å; A161-I181 WeakPolarHBondContact CB-O 3.12Å; F179-I181 PolarHBondContact O-N 2.99Å; I181-E185 HydrophobicContact CG2-CB 3.66Å; I181-E185 HydrophobicContact CG2-CG 3.62Å; I181-E185 WeakPolarHBondContact CG2-OE2 3.25Å; I181-I189 HydrophobicContact CD1-CD1 3.86Å
182P96.1Very high93.5Very high85 Ų8560.4 Ų60.455%0.55231%0.307SS*.  trans-55.2145.2173.2-25.635.7000112.5E184 E185 A186P182-E184 PolarHBondContact O-N 2.96Å; P182-E185 PolarHBondContact O-N 2.73Å; P182-A186 WeakPolarHBondContact O-CB 3.29Å; P182-A186 PolarHBondContact O-N 3.28Å
183L95.9Very high94Very high54 Ų5460 Ų6028%0.28330%0.298SS..Hα-helixtrans-55.3-42.1-178.7-179.861.8000111.7V158 A161 K162 E185 A186 E187V158-L183 HydrophobicContact CG1-CD1 3.99Å; A161-L183 HydrophobicContact CB-CB 4.06Å; A161-L183 HydrophobicContact CB-CD1 4.17Å; K162-L183 HydrophobicContact CG-CD1 4.03Å; K162-L183 HydrophobicContact CG-CD2 4.46Å; L183-E185 VanDerWaalsContact C-N 3.27Å; L183-E185 PolarHBondContact O-N 2.59Å; L183-A186 PolarHBondContact O-N 3.17Å; L183-E187 HydrophobicContact CD1-CG 4.26Å; L183-E187 WeakPolarHBondContact O-CG 3.09Å; L183-E187 PolarHBondContact O-N 2.92Å; L183-E187 VanDerWaalsContact O-N 3.15Å
184E95.5Very high94.2Very high156 Ų15664.7 Ų64.773%0.72932%0.321SS*.Hα-helixtrans-58.5-36.1178.9-64.6-175.8179.400113.2P182P182-E184 PolarHBondContact O-N 2.96Å
185E96Very high94.4Very high70 Ų7059.8 Ų59.833%0.32730%0.298SS..Hα-helixtrans-83.9-40177.7176174.2-165.700110.8H20 I181 P182 L183 E187 W188 I189H20-E185 HydrophobicContact CB-CG 4.38Å; I181-E185 HydrophobicContact CG2-CB 3.66Å; I181-E185 HydrophobicContact CG2-CG 3.62Å; I181-E185 WeakPolarHBondContact CG2-OE2 3.25Å; P182-E185 PolarHBondContact O-N 2.73Å; L183-E185 VanDerWaalsContact C-N 3.27Å; L183-E185 PolarHBondContact O-N 2.59Å; E185-E187 VanDerWaalsContact C-N 3.29Å; E185-E187 PolarHBondContact O-N 3.18Å; E185-W188 PolarHBondContact O-N 3.36Å; E185-W188 VanDerWaalsContact O-N 3.08Å; E185-I189 WeakPolarHBondContact O-CG1 3.39Å
186A96.2Very high94.6Very high0 Ų054.3 Ų54.30%027%0.274CS..Hα-helixtrans-56.1-40.4-178.500000112.7L157 V158 P182 L183 W188 I189L157-A186 HydrophobicContact CB-CB 4.04Å; V158-A186 HydrophobicContact CG2-CB 4.04Å; P182-A186 WeakPolarHBondContact O-CB 3.29Å; P182-A186 PolarHBondContact O-N 3.28Å; L183-A186 PolarHBondContact O-N 3.17Å; A186-W188 PolarHBondContact O-N 2.76Å; A186-I189 WeakPolarHBondContact O-CB 3.26Å; A186-I189 WeakPolarHBondContact O-CG1 3.28Å; A186-I189 PolarHBondContact O-N 3.36Å; A186-I189 VanDerWaalsContact O-N 3.08Å
187E96.2Very high94.7Very high76 Ų7654.4 Ų54.436%0.35528%0.275SS..THydrogen-bonded Turntrans-68.6-18.1-178.7-65.7-171.7168.500114.8R154 V158 L183 E185 I189 K199R154-E187 WeakPolarHBondContact CD-O 3.4Å; V158-E187 HydrophobicContact CG2-CG 4.12Å; L183-E187 HydrophobicContact CD1-CG 4.26Å; L183-E187 WeakPolarHBondContact O-CG 3.09Å; L183-E187 PolarHBondContact O-N 2.92Å; L183-E187 VanDerWaalsContact O-N 3.15Å; E185-E187 VanDerWaalsContact C-N 3.29Å; E185-E187 PolarHBondContact O-N 3.18Å; E187-I189 VanDerWaalsContact C-N 3.31Å; E187-K199 PolarHBondContact O-NZ 3.37Å; E187-K199 IonicContact OE2-NZ 2.8Å; E187-K199 PolarHBondContact OE2-NZ 3.28Å
188W96.7Very high94.8Very high16 Ų1657.3 Ų57.36%0.06128%0.279CS..THydrogen-bonded Turntrans-91-1.2176.7-68.282.2000111.8L17 P18 H20 Y21 R24 E185 A186 G190 L191 A196 K199 Q200 I203L17-W188 HydrophobicContact CD2-CH2 4.12Å; L17-W188 HydrophobicContact CD2-CZ3 3.68Å; P18-W188 HydrophobicContact CG-CD2 3.92Å; P18-W188 HydrophobicContact CG-CE3 4.31Å; P18-W188 HydrophobicContact CG-CG 4.5Å; P18-W188 HydrophobicContact CG-CH2 4.02Å; P18-W188 HydrophobicContact CG-CZ2 3.58Å; P18-W188 HydrophobicContact CG-CZ3 4.37Å; H20-W188 AromaticContact NE2-CD1 3.61Å; H20-W188 AromaticContact NE2-CG 3.76Å; Y21-W188 HydrophobicContact CD2-CB 4.12Å; Y21-W188 HydrophobicContact CD2-CE3 4.21Å; Y21-W188 HydrophobicContact CG-CE3 4.22Å; R24-W188 PolarHBondContact NH2-O 3.07Å; E185-W188 PolarHBondContact O-N 3.36Å; E185-W188 VanDerWaalsContact O-N 3.08Å; A186-W188 PolarHBondContact O-N 2.76Å; W188-G190 PolarHBondContact O-N 3.1Å; W188-L191 HydrophobicContact CD2-CD1 4.49Å; W188-L191 HydrophobicContact CE3-CD1 4.06Å; W188-A196 HydrophobicContact CE3-CB 4.29Å; W188-A196 HydrophobicContact CZ3-CB 4.04Å; W188-K199 HydrophobicContact CD2-CD 4.25Å; W188-K199 HydrophobicContact CE3-CD 4.29Å; W188-K199 HydrophobicContact CH2-CB 4.39Å; W188-K199 HydrophobicContact CH2-CD 4.11Å; W188-K199 HydrophobicContact CH2-CG 4.18Å; W188-K199 HydrophobicContact CZ2-CD 4.06Å; W188-K199 HydrophobicContact CZ2-CG 4.39Å; W188-K199 HydrophobicContact CZ3-CB 4.42Å; W188-K199 HydrophobicContact CZ3-CD 4.2Å; W188-Q200 HydrophobicContact CH2-CB 4.18Å; W188-I203 HydrophobicContact CH2-CD1 4.31Å; W188-I203 HydrophobicContact CZ2-CD1 3.81Å
189I95Very high95Very high8 Ų850.4 Ų50.44%0.04125%0.249CC..THydrogen-bonded Turntrans-70.2130.5-175.3-59.2-174.6000112.4R24 M150 K153 R154 L157 I181 E185 A186 E187 L191R24-I189 VanDerWaalsContact NH1-CB 3.31Å; R24-I189 VanDerWaalsContact NH1-CG2 3.28Å; M150-I189 HydrophobicContact CE-CG2 4.27Å; K153-I189 HydrophobicContact CG-CG2 4.34Å; R154-I189 WeakPolarHBondContact CB-O 3.39Å; R154-I189 WeakPolarHBondContact CD-O 3.24Å; R154-I189 WeakPolarHBondContact CG-O 3.24Å; L157-I189 HydrophobicContact CD1-CB 4.42Å; L157-I189 HydrophobicContact CD1-CD1 3.39Å; L157-I189 HydrophobicContact CD1-CG1 4.44Å; L157-I189 HydrophobicContact CD1-CG2 3.96Å; I181-I189 HydrophobicContact CD1-CD1 3.86Å; E185-I189 WeakPolarHBondContact O-CG1 3.39Å; A186-I189 WeakPolarHBondContact O-CB 3.26Å; A186-I189 WeakPolarHBondContact O-CG1 3.28Å; A186-I189 PolarHBondContact O-N 3.36Å; A186-I189 VanDerWaalsContact O-N 3.08Å; E187-I189 VanDerWaalsContact C-N 3.31Å; I189-L191 VanDerWaalsContact C-N 3.26Å; I189-L191 PolarHBondContact O-N 3.45Å
190G91.3Very high95Very high5 Ų549.3 Ų49.35%0.05224%0.244CC..THydrogen-bonded Turntrans715.9176.800000118R147 W188R147-G190 PolarHBondContact NH1-O 3.4Å; W188-G190 PolarHBondContact O-N 3.1Å
191L95Very high95.1Very high26 Ų2651.1 Ų51.114%0.13625%0.253CS..  trans-69.6138.8171.7-61-179.7000110.4Y21 W188 I189 E195 A196 K199Y21-L191 HydrophobicContact CE2-CB 4.21Å; Y21-L191 PolarHBondContact OH-O 2.59Å; W188-L191 HydrophobicContact CD2-CD1 4.49Å; W188-L191 HydrophobicContact CE3-CD1 4.06Å; I189-L191 VanDerWaalsContact C-N 3.26Å; I189-L191 PolarHBondContact O-N 3.45Å; L191-E195 HydrophobicContact CB-CB 4.17Å; L191-E195 HydrophobicContact CD2-CB 4.23Å; L191-A196 HydrophobicContact CB-CB 4.39Å; L191-K199 HydrophobicContact CD1-CD 3.65Å
192T93.6Very high95.3Very high47 Ų4754.5 Ų54.529%0.28827%0.265SS..  trans-70.4165.1166.460.30000110.4Y21 E194 E195 A196Y21-T192 VanDerWaalsContact OH-C 3.3Å; Y21-T192 PolarHBondContact OH-O 2.9Å; T192-E194 PolarHBondContact O-N 2.63Å; T192-E195 PolarHBondContact N-OE2 2.95Å; T192-E195 VanDerWaalsContact N-OE2 3.13Å; T192-E195 PolarHBondContact O-N 2.97Å; T192-E195 VanDerWaalsContact O-N 3.14Å; T192-E195 WeakPolarHBondContact OG1-CB 3.49Å; T192-E195 VanDerWaalsContact OG1-CG 3.28Å; T192-E195 WeakPolarHBondContact OG1-CG 3.12Å; T192-E195 PolarHBondContact OG1-N 3.37Å; T192-E195 VanDerWaalsContact OG1-N 3.17Å; T192-A196 WeakPolarHBondContact O-CB 3.22Å; T192-A196 PolarHBondContact O-N 3.22Å
193L93.2Very high95.3Very high16 Ų1653.1 Ų53.18%0.08425%0.253CS..Hα-helixtrans-56.5-38.6173.6-172.559.6000112.1L4 F5 I14 L17 Y21 Y25 A196 V197L4-L193 HydrophobicContact CD1-CB 4.02Å; L4-L193 HydrophobicContact CD1-CD2 3.8Å; L4-L193 HydrophobicContact CD1-CG 3.75Å; F5-L193 HydrophobicContact CE1-CD2 4.42Å; F5-L193 HydrophobicContact CZ-CD2 3.98Å; I14-L193 HydrophobicContact CD1-CD2 4.48Å; I14-L193 HydrophobicContact CG1-CD1 4.32Å; L17-L193 HydrophobicContact CD1-CD1 4.15Å; Y21-L193 HydrophobicContact CE1-CD1 4.47Å; Y21-L193 WeakPolarHBondContact OH-CA 3.23Å; Y21-L193 PolarHBondContact OH-N 3.39Å; Y25-L193 HydrophobicContact CE2-CB 4.12Å; L193-A196 PolarHBondContact O-N 3.04Å; L193-V197 WeakPolarHBondContact O-CB 3.31Å; L193-V197 VanDerWaalsContact O-CG2 3.22Å; L193-V197 WeakPolarHBondContact O-CG2 3.36Å; L193-V197 PolarHBondContact O-N 3.38Å
194E93Very high95.2Very high121 Ų12152.4 Ų52.457%0.56525%0.248SC*.Hα-helixtrans-64.6-44.7176.1-60.7-175.4172.100112L4 T192 V197 K198L4-E194 HydrophobicContact CD1-CG 3.51Å; L4-E194 HydrophobicContact CD2-CG 4.05Å; L4-E194 HydrophobicContact CG-CG 4.13Å; T192-E194 PolarHBondContact O-N 2.63Å; E194-V197 PolarHBondContact O-N 2.87Å; E194-K198 WeakPolarHBondContact O-CB 3.46Å; E194-K198 PolarHBondContact O-N 2.86Å
195E94.9Very high95.2Very high60 Ų6050.8 Ų50.828%0.2824%0.24SC..Hα-helixtrans-68.2-38.4177.9-72.7177.2156.100112.6R147 H151 L191 T192 K198 K199R147-E195 IonicContact CZ-OE1 2.83Å; R147-E195 IonicContact CZ-OE2 3.78Å; R147-E195 IonicContact NH1-OE2 3.98Å; R147-E195 PolarHBondContact NH1-OE2 3.45Å; R147-E195 IonicContact NH2-OE1 2.96Å; R147-E195 PolarHBondContact NH2-OE1 3.48Å; R147-E195 IonicContact NH2-OE2 2.59Å; R147-E195 PolarHBondContact NH2-OE2 3.46Å; H151-E195 IonicContact NE2-OE1 2.6Å; L191-E195 HydrophobicContact CB-CB 4.17Å; L191-E195 HydrophobicContact CD2-CB 4.23Å; T192-E195 PolarHBondContact N-OE2 2.95Å; T192-E195 VanDerWaalsContact N-OE2 3.13Å; T192-E195 PolarHBondContact O-N 2.97Å; T192-E195 VanDerWaalsContact O-N 3.14Å; T192-E195 WeakPolarHBondContact OG1-CB 3.49Å; T192-E195 VanDerWaalsContact OG1-CG 3.28Å; T192-E195 WeakPolarHBondContact OG1-CG 3.12Å; T192-E195 PolarHBondContact OG1-N 3.37Å; T192-E195 VanDerWaalsContact OG1-N 3.17Å; E195-K198 PolarHBondContact O-N 3.27Å; E195-K199 VanDerWaalsContact O-CB 3.27Å; E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 2.91Å
196A96.1Very high95.3Very high0 Ų053.6 Ų53.60%025%0.253CS..Hα-helixtrans-64.9-44.7176.500000110.9L17 Y21 W188 L191 T192 L193 K199 Q200L17-A196 HydrophobicContact CD1-CB 4.44Å; L17-A196 HydrophobicContact CD2-CB 4.06Å; Y21-A196 HydrophobicContact CD1-CB 4.34Å; Y21-A196 HydrophobicContact CE1-CB 3.63Å; Y21-A196 HydrophobicContact CE2-CB 3.88Å; Y21-A196 WeakPolarHBondContact OH-CB 3.22Å; W188-A196 HydrophobicContact CE3-CB 4.29Å; W188-A196 HydrophobicContact CZ3-CB 4.04Å; L191-A196 HydrophobicContact CB-CB 4.39Å; T192-A196 WeakPolarHBondContact O-CB 3.22Å; T192-A196 PolarHBondContact O-N 3.22Å; L193-A196 PolarHBondContact O-N 3.04Å; A196-K199 PolarHBondContact O-N 3.42Å; A196-Q200 WeakPolarHBondContact O-CB 3.44Å; A196-Q200 PolarHBondContact O-N 3.06Å
197V94.9Very high95.2Very high7 Ų757.3 Ų57.34%0.04227%0.273CS..Hα-helixtrans-60.2-47.1173.2168.10000110.4I10 V13 I14 L193 E194 K199 Q200 M201I10-V197 HydrophobicContact CG2-CG1 4.23Å; I10-V197 HydrophobicContact CG2-CG2 4.2Å; V13-V197 HydrophobicContact CB-CG1 4.33Å; V13-V197 HydrophobicContact CG1-CB 4.37Å; V13-V197 HydrophobicContact CG1-CG1 3.9Å; V13-V197 HydrophobicContact CG1-CG2 4.43Å; I14-V197 HydrophobicContact CG1-CG2 3.85Å; L193-V197 WeakPolarHBondContact O-CB 3.31Å; L193-V197 VanDerWaalsContact O-CG2 3.22Å; L193-V197 WeakPolarHBondContact O-CG2 3.36Å; L193-V197 PolarHBondContact O-N 3.38Å; E194-V197 PolarHBondContact O-N 2.87Å; V197-K199 VanDerWaalsContact C-N 3.34Å; V197-K199 PolarHBondContact O-N 3.18Å; V197-Q200 PolarHBondContact O-N 3.45Å; V197-M201 HydrophobicContact CG1-CE 3.77Å; V197-M201 HydrophobicContact CG1-SD 4.15Å; V197-M201 WeakPolarHBondContact O-CG 3.31Å; V197-M201 PolarHBondContact O-N 3.11Å
198K94.9Very high95Very high132 Ų13256.7 Ų56.757%0.57428%0.276SS*.Hα-helixtrans-62.3-40.2177.7-170.3177.8-174.3175.90112.2E194 E195 K202E194-K198 WeakPolarHBondContact O-CB 3.46Å; E194-K198 PolarHBondContact O-N 2.86Å; E195-K198 PolarHBondContact O-N 3.27Å; K198-K202 VanDerWaalsContact O-CG 3.3Å; K198-K202 WeakPolarHBondContact O-CG 3.44Å; K198-K202 PolarHBondContact O-N 3.11Å; K198-K202 VanDerWaalsContact O-N 3.13Å
199K96.9Very high94.8Very high43 Ų4364.6 Ų64.619%0.18731%0.306CS..Hα-helixtrans-63.8-47.2176.1-176.2179.8-179.8-170.10110.5E187 W188 L191 E195 A196 V197 M201 K202 I203E187-K199 PolarHBondContact O-NZ 3.37Å; E187-K199 IonicContact OE2-NZ 2.8Å; E187-K199 PolarHBondContact OE2-NZ 3.28Å; W188-K199 HydrophobicContact CD2-CD 4.25Å; W188-K199 HydrophobicContact CE3-CD 4.29Å; W188-K199 HydrophobicContact CH2-CB 4.39Å; W188-K199 HydrophobicContact CH2-CD 4.11Å; W188-K199 HydrophobicContact CH2-CG 4.18Å; W188-K199 HydrophobicContact CZ2-CD 4.06Å; W188-K199 HydrophobicContact CZ2-CG 4.39Å; W188-K199 HydrophobicContact CZ3-CB 4.42Å; W188-K199 HydrophobicContact CZ3-CD 4.2Å; L191-K199 HydrophobicContact CD1-CD 3.65Å; E195-K199 VanDerWaalsContact O-CB 3.27Å; E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 2.91Å; A196-K199 PolarHBondContact O-N 3.42Å; V197-K199 VanDerWaalsContact C-N 3.34Å; V197-K199 PolarHBondContact O-N 3.18Å; K199-M201 PolarHBondContact O-N 3.46Å; K199-K202 WeakPolarHBondContact O-CB 3.45Å; K199-K202 PolarHBondContact O-N 2.99Å; K199-I203 HydrophobicContact CG-CD1 4.13Å; K199-I203 WeakPolarHBondContact O-CG1 3.18Å; K199-I203 PolarHBondContact O-N 3.31Å
200Q96.5Very high94.6Very high23 Ų2368.8 Ų68.811%0.10734%0.337CS..Hα-helixtrans-60.5-46178.3-174.561.422.800112.1V13 L17 W188 A196 V197 K202 I203 E204V13-Q200 HydrophobicContact CG1-CB 3.92Å; V13-Q200 HydrophobicContact CG1-CG 3.84Å; L17-Q200 HydrophobicContact CD2-CB 3.79Å; L17-Q200 HydrophobicContact CD2-CG 4.22Å; W188-Q200 HydrophobicContact CH2-CB 4.18Å; A196-Q200 WeakPolarHBondContact O-CB 3.44Å; A196-Q200 PolarHBondContact O-N 3.06Å; V197-Q200 PolarHBondContact O-N 3.45Å; Q200-K202 VanDerWaalsContact C-N 3.28Å; Q200-K202 PolarHBondContact O-N 3.33Å; Q200-I203 PolarHBondContact O-N 2.84Å; Q200-E204 PolarHBondContact NE2-OE1 2.53Å; Q200-E204 WeakPolarHBondContact O-CG 3.49Å; Q200-E204 PolarHBondContact O-N 3.48Å
201M95.6Very high94.4Very high80 Ų8075.1 Ų75.139%0.39437%0.365SS..Hα-helixtrans-59.7-38.3176.1-72.2176.5171.300112.3V13 V197 K199 H205V13-M201 HydrophobicContact CB-CE 4.48Å; V13-M201 HydrophobicContact CG1-CG 4.14Å; V13-M201 HydrophobicContact CG2-CE 3.72Å; V13-M201 HydrophobicContact CG2-CG 4.16Å; V197-M201 HydrophobicContact CG1-CE 3.77Å; V197-M201 HydrophobicContact CG1-SD 4.15Å; V197-M201 WeakPolarHBondContact O-CG 3.31Å; V197-M201 PolarHBondContact O-N 3.11Å; K199-M201 PolarHBondContact O-N 3.46Å; M201-H205 VanDerWaalsContact O-CB 3.24Å; M201-H205 WeakPolarHBondContact O-CB 3.42Å; M201-H205 PolarHBondContact O-N 3.25Å
202K97Very high94Very high119 Ų11980.5 Ų80.552%0.51739%0.393SS..Hα-helixtrans-64.7-45.6176-73.8174.4177.5-168.80111.9K198 K199 Q200 E204 H205 E206K198-K202 VanDerWaalsContact O-CG 3.3Å; K198-K202 WeakPolarHBondContact O-CG 3.44Å; K198-K202 PolarHBondContact O-N 3.11Å; K198-K202 VanDerWaalsContact O-N 3.13Å; K199-K202 WeakPolarHBondContact O-CB 3.45Å; K199-K202 PolarHBondContact O-N 2.99Å; Q200-K202 VanDerWaalsContact C-N 3.28Å; Q200-K202 PolarHBondContact O-N 3.33Å; K202-E204 VanDerWaalsContact C-N 3.34Å; K202-E204 PolarHBondContact O-N 3.14Å; K202-H205 PolarHBondContact O-N 3.24Å; K202-E206 WeakPolarHBondContact O-CG 3.49Å; K202-E206 PolarHBondContact O-N 3.47Å
203I96.1Very high93.4Very high57 Ų5783.3 Ų83.329%0.29240%0.401SS..Hα-helixtrans-58.4-48.4177.4-67.2165.1000110W188 K199 Q200 H205 E206 I207W188-I203 HydrophobicContact CH2-CD1 4.31Å; W188-I203 HydrophobicContact CZ2-CD1 3.81Å; K199-I203 HydrophobicContact CG-CD1 4.13Å; K199-I203 WeakPolarHBondContact O-CG1 3.18Å; K199-I203 PolarHBondContact O-N 3.31Å; Q200-I203 PolarHBondContact O-N 2.84Å; I203-H205 VanDerWaalsContact C-N 3.34Å; I203-H205 PolarHBondContact O-N 3.41Å; I203-E206 PolarHBondContact O-N 3.45Å; I203-I207 HydrophobicContact CG2-CD1 3.74Å; I203-I207 HydrophobicContact CG2-CG1 4.47Å; I203-I207 VanDerWaalsContact O-CG1 3.25Å; I203-I207 WeakPolarHBondContact O-CG1 3.48Å; I203-I207 PolarHBondContact O-N 3.08Å
204E95.3Very high93.3Very high39 Ų3986.2 Ų86.218%0.18242%0.421CS..Hα-helixtrans-64.1-38.4178.7-68.8171.3177.100112.7R16 Q200 K202 S208R16-E204 WeakPolarHBondContact CD-OE1 3.37Å; R16-E204 IonicContact CZ-OE1 3.36Å; R16-E204 IonicContact CZ-OE2 2.66Å; R16-E204 IonicContact NE-OE1 3.83Å; R16-E204 IonicContact NH1-OE1 2.73Å; R16-E204 PolarHBondContact NH1-OE1 2.56Å; R16-E204 IonicContact NH1-OE2 2.93Å; R16-E204 PolarHBondContact NH1-OE2 2.98Å; R16-E204 IonicContact NH2-OE2 3.36Å; Q200-E204 PolarHBondContact NE2-OE1 2.53Å; Q200-E204 WeakPolarHBondContact O-CG 3.49Å; Q200-E204 PolarHBondContact O-N 3.48Å; K202-E204 VanDerWaalsContact C-N 3.34Å; K202-E204 PolarHBondContact O-N 3.14Å; E204-S208 WeakPolarHBondContact O-CB 3.35Å; E204-S208 PolarHBondContact O-N 2.83Å; E204-S208 PolarHBondContact O-OG 3.2Å
205H95.7Very high93.2Very high121 Ų12186.8 Ų86.856%0.5643%0.427SS*.Hα-helixtrans-64.2-43174.9-178.473.6000111.8M201 K202 I203 S208 R209M201-H205 VanDerWaalsContact O-CB 3.24Å; M201-H205 WeakPolarHBondContact O-CB 3.42Å; M201-H205 PolarHBondContact O-N 3.25Å; K202-H205 PolarHBondContact O-N 3.24Å; I203-H205 VanDerWaalsContact C-N 3.34Å; I203-H205 PolarHBondContact O-N 3.41Å; H205-S208 PolarHBondContact O-N 3.14Å; H205-R209 VanDerWaalsContact O-CB 3.26Å; H205-R209 WeakPolarHBondContact O-CB 3.36Å; H205-R209 PolarHBondContact O-N 3.44Å
206E96.2Very high93.1Very high129 Ų12992 Ų9260%0.60345%0.449SS*.Hα-helixtrans-64.8-44.2176.5-74169-170.300111.7K202 I203 R209 S210K202-E206 WeakPolarHBondContact O-CG 3.49Å; K202-E206 PolarHBondContact O-N 3.47Å; I203-E206 PolarHBondContact O-N 3.45Å; E206-R209 PolarHBondContact O-N 2.83Å; E206-S210 WeakPolarHBondContact O-CB 3.37Å; E206-S210 PolarHBondContact O-N 3.22Å; E206-S210 PolarHBondContact O-OG 3Å
207I94.4Very high93Very high79 Ų7997.5 Ų97.541%0.40547%0.473SS..Hα-helixtrans-58.5-51.1173.6-68.7165.5000109.9I203 R209 S210 Q211I203-I207 HydrophobicContact CG2-CD1 3.74Å; I203-I207 HydrophobicContact CG2-CG1 4.47Å; I203-I207 VanDerWaalsContact O-CG1 3.25Å; I203-I207 WeakPolarHBondContact O-CG1 3.48Å; I203-I207 PolarHBondContact O-N 3.08Å; I207-R209 VanDerWaalsContact C-N 3.33Å; I207-R209 PolarHBondContact O-N 3.13Å; I207-S210 PolarHBondContact O-N 3.49Å; I207-S210 PolarHBondContact O-OG 3.45Å; I207-Q211 HydrophobicContact CG2-CG 4.41Å; I207-Q211 WeakPolarHBondContact O-CB 3.14Å; I207-Q211 VanDerWaalsContact O-CG 3.31Å; I207-Q211 WeakPolarHBondContact O-CG 3.26Å; I207-Q211 PolarHBondContact O-N 3.32Å
208S92.9Very high92.9Very high62 Ų6298.9 Ų98.943%0.43448%0.483SS..Hα-helixtrans-57.9-47.9179.6-570000110.6E204 H205 S210 Q211 L212E204-S208 WeakPolarHBondContact O-CB 3.35Å; E204-S208 PolarHBondContact O-N 2.83Å; E204-S208 PolarHBondContact O-OG 3.2Å; H205-S208 PolarHBondContact O-N 3.14Å; S208-S210 VanDerWaalsContact C-N 3.32Å; S208-S210 PolarHBondContact O-N 3.34Å; S208-Q211 PolarHBondContact O-N 2.86Å; S208-Q211 VanDerWaalsContact O-N 3.13Å; S208-L212 WeakPolarHBondContact O-CG 3.48Å; S208-L212 PolarHBondContact O-N 2.93Å
209R93.1Very high92.8Very high182 Ų18297.6 Ų97.669%0.68748%0.482SS*.Hα-helixtrans-60.5-39.5178.7-174.9177.8178.5172-0.4112.6H205 E206 I207 Q211H205-R209 VanDerWaalsContact O-CB 3.26Å; H205-R209 WeakPolarHBondContact O-CB 3.36Å; H205-R209 PolarHBondContact O-N 3.44Å; E206-R209 PolarHBondContact O-N 2.83Å; I207-R209 VanDerWaalsContact C-N 3.33Å; I207-R209 PolarHBondContact O-N 3.13Å; R209-Q211 VanDerWaalsContact C-N 3.33Å
210S90Very high92.7Very high97 Ų9797.5 Ų97.568%0.67849%0.489SS*.Hα-helixtrans-69.6-31.2176.873.50000112.8E206 I207 S208E206-S210 WeakPolarHBondContact O-CB 3.37Å; E206-S210 PolarHBondContact O-N 3.22Å; E206-S210 PolarHBondContact O-OG 3Å; I207-S210 PolarHBondContact O-N 3.49Å; I207-S210 PolarHBondContact O-OG 3.45Å; S208-S210 VanDerWaalsContact C-N 3.32Å; S208-S210 PolarHBondContact O-N 3.34Å
211Q87.3Confident92.7Very high138 Ų138100.9 Ų100.965%0.64551%0.505SS*.Hα-helixtrans-80.9-19.5178.7-71.5174.5-8.300113.5I207 S208 R209 K213I207-Q211 HydrophobicContact CG2-CG 4.41Å; I207-Q211 WeakPolarHBondContact O-CB 3.14Å; I207-Q211 VanDerWaalsContact O-CG 3.31Å; I207-Q211 WeakPolarHBondContact O-CG 3.26Å; I207-Q211 PolarHBondContact O-N 3.32Å; S208-Q211 PolarHBondContact O-N 2.86Å; S208-Q211 VanDerWaalsContact O-N 3.13Å; R209-Q211 VanDerWaalsContact C-N 3.33Å; Q211-K213 VanDerWaalsContact C-N 3.31Å; Q211-K213 PolarHBondContact O-N 3.39Å
212L85.4Confident92.6Very high138 Ų138104 Ų10472%0.72352%0.516SS*.  trans-64.288.9176.8-72.6175.4000110.9S208S208-L212 WeakPolarHBondContact O-CG 3.48Å; S208-L212 PolarHBondContact O-N 2.93Å
213K82.8Confident92.3Very high107 Ų107103.3 Ų103.347%0.46552%0.517SS..  trans-83.7125.9168.4-168.4-178.7-173.1-175.90108.6Q211 L215 F217 E221Q211-K213 VanDerWaalsContact C-N 3.31Å; Q211-K213 PolarHBondContact O-N 3.39Å; K213-L215 PolarHBondContact O-N 3.08Å; K213-F217 HydrophobicContact CD-CB 4.19Å; K213-F217 VanDerWaalsContact CE-CB 3.48Å; K213-F217 HydrophobicContact CG-CB 4.07Å; K213-F217 HydrophobicContact CG-CD2 4.26Å; K213-E221 IonicContact NZ-OE1 3.52Å; K213-E221 PolarHBondContact NZ-OE1 3.22Å; K213-E221 IonicContact NZ-OE2 2.59Å; K213-E221 PolarHBondContact NZ-OE2 3.12Å
214P90Very high92.3Very high77 Ų77104.5 Ų104.550%0.552%0.524SS..  trans-52.9136176.3-2834000111.9K216 F217P214-K216 PolarHBondContact O-N 3.03Å; P214-F217 HydrophobicContact CB-CD2 3.89Å; P214-F217 HydrophobicContact CB-CE2 4.13Å; P214-F217 HydrophobicContact CG-CD2 4.02Å; P214-F217 HydrophobicContact CG-CE2 3.93Å; P214-F217 PolarHBondContact O-N 3.33Å
215L90.5Very high92.2Very high133 Ų133107 Ų10770%0.69654%0.538SS*.Hα-helixtrans-54.3-31.5-176.2-72172.1000112.8K213 F217 S218 L219K213-L215 PolarHBondContact O-N 3.08Å; L215-F217 PolarHBondContact O-N 3.27Å; L215-S218 WeakPolarHBondContact CA-OG 3.5Å; L215-S218 PolarHBondContact O-N 2.91Å; L215-S218 PolarHBondContact O-OG 3.02Å; L215-L219 WeakPolarHBondContact O-CB 3.43Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.1Å
216K94.4Very high91.9Very high168 Ų168102.3 Ų102.373%0.7352%0.519SS*.Hα-helixtrans-50.1-43.4174.7-179.2-179.4177.2-1790112.4P214 L219 A220P214-K216 PolarHBondContact O-N 3.03Å; K216-L219 PolarHBondContact O-N 3.44Å; K216-A220 VanDerWaalsContact O-CB 3.28Å; K216-A220 WeakPolarHBondContact O-CB 3.37Å; K216-A220 PolarHBondContact O-N 2.94Å
217F93.7Very high91.6Very high116 Ų116102.5 Ų102.551%0.50952%0.524SS..Hα-helixtrans-70.6-41.4179.5-63-73.7000111.5K213 P214 L215 L219 A220 E221K213-F217 HydrophobicContact CD-CB 4.19Å; K213-F217 VanDerWaalsContact CE-CB 3.48Å; K213-F217 HydrophobicContact CG-CB 4.07Å; K213-F217 HydrophobicContact CG-CD2 4.26Å; P214-F217 HydrophobicContact CB-CD2 3.89Å; P214-F217 HydrophobicContact CB-CE2 4.13Å; P214-F217 HydrophobicContact CG-CD2 4.02Å; P214-F217 HydrophobicContact CG-CE2 3.93Å; P214-F217 PolarHBondContact O-N 3.33Å; L215-F217 PolarHBondContact O-N 3.27Å; F217-L219 VanDerWaalsContact C-N 3.3Å; F217-L219 PolarHBondContact O-N 2.76Å; F217-A220 PolarHBondContact O-N 3.02Å; F217-E221 WeakPolarHBondContact O-CG 3.08Å; F217-E221 PolarHBondContact O-N 3.14Å
218S91.4Very high91.5Very high36 Ų36107.6 Ų107.625%0.25254%0.538SS..Hα-helixtrans-63.6-35.7175.970.90000112.7L215 K222L215-S218 WeakPolarHBondContact CA-OG 3.5Å; L215-S218 PolarHBondContact O-N 2.91Å; L215-S218 PolarHBondContact O-OG 3.02Å; S218-K222 WeakPolarHBondContact O-CG 3.46Å; S218-K222 PolarHBondContact O-N 3.23Å; S218-K222 VanDerWaalsContact O-N 3.1Å
219L93.7Very high91.1Very high106 Ų106108.6 Ų108.656%0.55554%0.538SS*.Hα-helixtrans-72.4-39.8175.5-69.8171.1000111.3L215 K216 F217 E221 K222 L223L215-L219 WeakPolarHBondContact O-CB 3.43Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.1Å; K216-L219 PolarHBondContact O-N 3.44Å; F217-L219 VanDerWaalsContact C-N 3.3Å; F217-L219 PolarHBondContact O-N 2.76Å; L219-E221 VanDerWaalsContact C-N 3.34Å; L219-K222 PolarHBondContact O-N 2.98Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 PolarHBondContact O-N 2.93Å
220A95.5Very high90.2Very high40 Ų40104.2 Ų104.233%0.33153%0.533SS..Hα-helixtrans-63.1-40.6174.900000111.7K216 F217 L223 I224K216-A220 VanDerWaalsContact O-CB 3.28Å; K216-A220 WeakPolarHBondContact O-CB 3.37Å; K216-A220 PolarHBondContact O-N 2.94Å; F217-A220 PolarHBondContact O-N 3.02Å; A220-L223 PolarHBondContact O-N 2.96Å; A220-I224 WeakPolarHBondContact O-CD1 3.44Å; A220-I224 VanDerWaalsContact O-CG1 3.23Å; A220-I224 WeakPolarHBondContact O-CG1 3.47Å; A220-I224 PolarHBondContact O-N 3.37Å
221E94.7Very high89.1Confident95 Ų95105.6 Ų105.644%0.44454%0.538SS..Hα-helixtrans-61.7-48.4173.9-75.2169.7167.200111.3K213 F217 L219 L223 I224 D225K213-E221 IonicContact NZ-OE1 3.52Å; K213-E221 PolarHBondContact NZ-OE1 3.22Å; K213-E221 IonicContact NZ-OE2 2.59Å; K213-E221 PolarHBondContact NZ-OE2 3.12Å; F217-E221 WeakPolarHBondContact O-CG 3.08Å; F217-E221 PolarHBondContact O-N 3.14Å; L219-E221 VanDerWaalsContact C-N 3.34Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 2.82Å; E221-I224 PolarHBondContact O-N 2.98Å; E221-D225 WeakPolarHBondContact O-CB 3.14Å; E221-D225 PolarHBondContact O-N 3.49Å
222K93.5Very high87.8Confident144 Ų144106.6 Ų106.663%0.62654%0.54SS*.Hα-helixtrans-57.4-41.7174.4-73.7178.6179.9-1700112.7S218 L219 D225 S226S218-K222 WeakPolarHBondContact O-CG 3.46Å; S218-K222 PolarHBondContact O-N 3.23Å; S218-K222 VanDerWaalsContact O-N 3.1Å; L219-K222 PolarHBondContact O-N 2.98Å; K222-D225 PolarHBondContact O-N 2.78Å; K222-S226 PolarHBondContact O-N 2.87Å; K222-S226 PolarHBondContact O-OG 3.4Å
223L92.1Very high86.4Confident105 Ų105104 Ų10455%0.5553%0.526SS..Hα-helixtrans-66.3-42.2177.7-174.775.4000111.9L219 A220 E221 D225 S226 L227L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 PolarHBondContact O-N 2.93Å; A220-L223 PolarHBondContact O-N 2.96Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 2.82Å; L223-D225 VanDerWaalsContact C-N 3.3Å; L223-D225 PolarHBondContact O-N 2.79Å; L223-S226 WeakPolarHBondContact CA-OG 3.32Å; L223-S226 PolarHBondContact O-N 2.56Å; L223-S226 PolarHBondContact O-OG 2.82Å; L223-L227 HydrophobicContact CG-CD1 4.31Å; L223-L227 WeakPolarHBondContact O-CB 3.48Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 2.97Å
224I94.6Very high85.1Confident83 Ų83107.2 Ų107.243%0.42654%0.54SS..Hα-helixtrans-64.9-40.1176.4-68.9162.8000110A220 E221 L227 R228A220-I224 WeakPolarHBondContact O-CD1 3.44Å; A220-I224 VanDerWaalsContact O-CG1 3.23Å; A220-I224 WeakPolarHBondContact O-CG1 3.47Å; A220-I224 PolarHBondContact O-N 3.37Å; E221-I224 PolarHBondContact O-N 2.98Å; I224-L227 PolarHBondContact O-N 3.17Å; I224-R228 WeakPolarHBondContact O-CG 3.42Å; I224-R228 PolarHBondContact O-N 2.78Å
225D94.1Very high83.5Confident90 Ų90110.7 Ų110.748%0.48156%0.555SS.*Hα-helixtrans-65.3-39177.5-78.2-15.7000112.6E221 K222 L223 R228 N229E221-D225 WeakPolarHBondContact O-CB 3.14Å; E221-D225 PolarHBondContact O-N 3.49Å; K222-D225 PolarHBondContact O-N 2.78Å; L223-D225 VanDerWaalsContact C-N 3.3Å; L223-D225 PolarHBondContact O-N 2.79Å; D225-R228 PolarHBondContact O-N 3.49Å; D225-N229 PolarHBondContact O-N 2.87Å
226S89.6Confident81.8Confident24 Ų24112.4 Ų112.417%0.16856%0.559CS.*Hα-helixtrans-68.1-39.5174.659.90000112.8K222 L223 R228 N229 D233K222-S226 PolarHBondContact O-N 2.87Å; K222-S226 PolarHBondContact O-OG 3.4Å; L223-S226 WeakPolarHBondContact CA-OG 3.32Å; L223-S226 PolarHBondContact O-N 2.56Å; L223-S226 PolarHBondContact O-OG 2.82Å; S226-R228 VanDerWaalsContact C-N 3.31Å; S226-R228 PolarHBondContact O-N 2.96Å; S226-N229 CarbonylContact O-C 3.54Å; S226-N229 PolarHBondContact O-N 3.37Å; S226-D233 WeakPolarHBondContact CB-OD2 3.24Å
227L89.7Confident79.7Confident132 Ų132112.8 Ų112.869%0.69156%0.564SS**Hα-helixtrans-65.1-34.7175.3-69.8172000112.4L223 I224L223-L227 HydrophobicContact CG-CD1 4.31Å; L223-L227 WeakPolarHBondContact O-CB 3.48Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 2.97Å; I224-L227 PolarHBondContact O-N 3.17Å
228R91.8Very high77.7Confident186 Ų186113.2 Ų113.270%0.70258%0.576SS**Hα-helixtrans-72.2-33.9174.2-74.5174.7177.2-174.7-1112.5I224 D225 S226 P230I224-R228 WeakPolarHBondContact O-CG 3.42Å; I224-R228 PolarHBondContact O-N 2.78Å; D225-R228 PolarHBondContact O-N 3.49Å; S226-R228 VanDerWaalsContact C-N 3.31Å; S226-R228 PolarHBondContact O-N 2.96Å; R228-P230 VanDerWaalsContact C-CD 3.47Å; R228-P230 WeakPolarHBondContact O-CD 3.42Å
229N85.1Confident75.5Confident84 Ų84117.4 Ų117.445%0.44960%0.602SS.*  trans-122.771.3-177.5-63.7-55.2000111.5D225 S226 V231 K232D225-N229 PolarHBondContact O-N 2.87Å; S226-N229 CarbonylContact O-C 3.54Å; S226-N229 PolarHBondContact O-N 3.37Å; N229-V231 PolarHBondContact O-N 3Å; N229-K232 PolarHBondContact O-N 3.4Å
230P73.5Confident73.3Confident89 Ų89116.2 Ų116.258%0.57860%0.603SS**THydrogen-bonded Turntrans-65.7-2.3-173.726.5-35.7000114.6R228R228-P230 VanDerWaalsContact C-CD 3.47Å; R228-P230 WeakPolarHBondContact O-CD 3.42Å
231V67Low71.2Confident127 Ų127117.1 Ų117.177%0.7761%0.607SS**THydrogen-bonded Turntrans-86.4-18.8-177.8-170.60000112.1N229N229-V231 PolarHBondContact O-N 3Å
232K59.9Low69.4Low159 Ų159120.6 Ų120.669%0.69162%0.617SS**SBendtrans-84-27.8-174.6-74.6-175.1176.7179.90114.9N229N229-K232 PolarHBondContact O-N 3.4Å
233D56.6Low67.5Low82 Ų82118 Ų11844%0.43962%0.617SS.*G310 helixtrans-88.8-8.4-167.1-759.3000115S226 N235S226-D233 WeakPolarHBondContact CB-OD2 3.24Å; D233-N235 PolarHBondContact O-N 3.41Å; D233-N235 VanDerWaalsContact O-N 3.09Å
234K56.3Low65.6Low175 Ų175117 Ų11776%0.76162%0.619SS**G310 helixtrans-70.4-6.1-177.9-68.2-171.2177.7-176.40114.7
235N55.7Low63.7Low151 Ų151120.6 Ų120.681%0.80763%0.627SS**G310 helixtrans-108.7-1-173.5-67.9-10.6000114.7D233D233-N235 PolarHBondContact O-N 3.41Å; D233-N235 VanDerWaalsContact O-N 3.09Å
236E55.5Low62.1Low169 Ų169122.7 Ų122.779%0.7964%0.637SS**  trans-118.26.7-176.2-72.9-170.8173.700115.3T238E236-T238 VanDerWaalsContact C-N 3.26Å; E236-T238 PolarHBondContact O-N 2.6Å
237E50.8Low60.7Low175 Ų175130.8 Ų130.882%0.81867%0.669SS**  trans-7672.5176-68.2-174.8177.500112.1
238T50.6Low58.7Low126 Ų126132.1 Ų132.177%0.77369%0.69SS**  trans-74.7118.6150.450.60000107.7E236 S240E236-T238 VanDerWaalsContact C-N 3.26Å; E236-T238 PolarHBondContact O-N 2.6Å; T238-S240 PolarHBondContact O-N 3.13Å
239P45.2Very low57.1Low123 Ų123129.4 Ų129.480%0.79969%0.689SS**  trans-64.3111.2-177.625.2-32.2000109.4S241P239-S241 PolarHBondContact O-N 2.8Å
240S47Very low55.6Low82 Ų82131.8 Ų131.857%0.57370%0.702SS**  trans-65128.8175.875.70000110T238 Y242T238-S240 PolarHBondContact O-N 3.13Å; S240-Y242 PolarHBondContact O-N 3.3Å
241S51.2Low54.6Low59 Ų59134.2 Ų134.241%0.41371%0.709SS.*THydrogen-bonded Turntrans-52.1-0.1-177162.90000116.9P239 S244 R245P239-S241 PolarHBondContact O-N 2.8Å; S241-S244 PolarHBondContact O-OG 2.96Å; S241-S244 VanDerWaalsContact O-OG 3.1Å; S241-R245 PolarHBondContact OG-NE 2.83Å; S241-R245 PolarHBondContact OG-NH2 3.11Å
242Y56.7Low53.9Low168 Ų168134.6 Ų134.666%0.65971%0.705SS**THydrogen-bonded Turntrans-81.6-32.4-173.1-80-83.2000113.9S240 S244 R245S240-Y242 PolarHBondContact O-N 3.3Å; Y242-S244 VanDerWaalsContact C-N 3.31Å; Y242-S244 PolarHBondContact O-N 2.6Å; Y242-R245 PolarHBondContact O-N 2.96Å
243S54.1Low53.5Low90 Ų90133.1 Ų133.163%0.62971%0.706SS**G310 helixtrans-73.4-21.4179290000113.4R245S243-R245 VanDerWaalsContact C-N 3.35Å
244S52.1Low53.3Low83 Ų83136.5 Ų136.558%0.5872%0.724SS**G310 helixtrans-82.5-6.4177.764.30000114.3S241 Y242S241-S244 PolarHBondContact O-OG 2.96Å; S241-S244 VanDerWaalsContact O-OG 3.1Å; Y242-S244 VanDerWaalsContact C-N 3.31Å; Y242-S244 PolarHBondContact O-N 2.6Å
245R55.6Low53.1Low159 Ų159133.7 Ų133.760%0.672%0.721SS**G310 helixtrans-97.4-7.4-176.4-66.8-174.2-158.4-178.84.9115.2S241 Y242 S243S241-R245 PolarHBondContact OG-NE 2.83Å; S241-R245 PolarHBondContact OG-NH2 3.11Å; Y242-R245 PolarHBondContact O-N 2.96Å; S243-R245 VanDerWaalsContact C-N 3.35Å
246I60.7Low52.9Low133 Ų133132.4 Ų132.468%0.68271%0.714SS**SBendtrans-95.8-12.7-175.7-63.5175.6000111.7
247F58.7Low52.6Low194 Ų194129.3 Ų129.385%0.85171%0.708SS**  trans-124.820.4-173.8-69.5-76.4000114.6
248S49Very low52.8Low160 Ų160125.2 Ų125.2100%1.11970%0.698SS**  trans-109.70167.575.40000110.7

Retrieved 248 of 248 residues in 783.8 ms (Link to these results)

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