A0A096MH83_POEFO Loading...

RNA polymerase II subunit M

AlphaFold DB , UniProt , Accession A0A096MH83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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
1A35.5Very low46.5Very low158 Ų158119.8 Ų119.8100%1.30668%0.684SS**  0150000000108.8
2M34.2Very low47.2Very low185 Ų185124.8 Ų124.891%0.91170%0.697SS**  trans-90.6114.9178.6-63.6-179.974.900109.7S4M2-S4 PolarHBondContact O-N 3.17Å
3S42Very low48.6Very low82 Ų82117.5 Ų117.557%0.57366%0.657SS**  trans-84.1101.8171.9-159.10000108.7P5 D15S3-P5 WeakPolarHBondContact O-CD 3.27Å; S3-D15 PolarHBondContact OG-OD2 3.41Å
4S43.5Very low50.2Low82 Ų82111.2 Ų111.257%0.57363%0.632SS**  trans-87.1117.4170.4-620000108.9M2 W6M2-S4 PolarHBondContact O-N 3.17Å; S4-W6 PolarHBondContact O-N 3.47Å
5P48.2Very low52.1Low79 Ų79107.6 Ų107.651%0.51361%0.611SS.*  trans-67.4133.6176.127.7-34.3000110.8S3 T7 D15S3-P5 WeakPolarHBondContact O-CD 3.27Å; P5-T7 PolarHBondContact O-N 2.81Å; P5-D15 VanDerWaalsContact CA-OD1 3.23Å; P5-D15 WeakPolarHBondContact CA-OD1 3.35Å; P5-D15 WeakPolarHBondContact CB-OD1 3.24Å
6W51Low53.9Low142 Ų142102.1 Ų102.154%0.53858%0.579SS.*  trans-84.363.7-174.7-89.951.7000111.9S4 E8 K57S4-W6 PolarHBondContact O-N 3.47Å; W6-E8 VanDerWaalsContact C-N 3.35Å; W6-E8 PolarHBondContact O-N 3.5Å; W6-K57 VanDerWaalsContact CD1-NZ 3.33Å; W6-K57 VanDerWaalsContact NE1-NZ 3.15Å
7T49.7Very low55.2Low104 Ų104106.4 Ų106.464%0.63858%0.584SS**  trans-91.141.6-171.2-35.50000113.7P5P5-T7 PolarHBondContact O-N 2.81Å
8E47.3Very low56.6Low138 Ų138105.7 Ų105.765%0.64559%0.588SS**SBendtrans-141.4108.1174.5-157.9159.4-162.300116.2W6 Q10W6-E8 VanDerWaalsContact C-N 3.35Å; W6-E8 PolarHBondContact O-N 3.5Å; E8-Q10 PolarHBondContact O-N 3.48Å
9R49.2Very low58Low220 Ų220102.1 Ų102.183%0.8357%0.566SS**SBendtrans66.916.8155.6-61.5169.9-148-84.4-6119
10Q54.3Low59.6Low57 Ų5799 Ų9927%0.26655%0.552SS.*SBendtrans-109.8143.7134.4-67.4-145.741.800108.4E8 Q12E8-Q10 PolarHBondContact O-N 3.48Å; Q10-Q12 PolarHBondContact O-N 2.77Å
11G56.9Low61Low71 Ų7195.8 Ų95.873%0.73253%0.533SS*.THydrogen-bonded Turntrans-55.9100.2-161.700000114V13G11-V13 VanDerWaalsContact C-N 3.29Å; G11-V13 PolarHBondContact O-N 2.71Å
12Q54.8Low63.7Low179 Ų17993.3 Ų93.384%0.83650%0.495SS*.THydrogen-bonded Turntrans21.159.1173.3-162.1167.4-21.100115.8Q10Q10-Q12 PolarHBondContact O-N 2.77Å
13V64.6Low66.4Low30 Ų3088.6 Ų88.618%0.18247%0.47CS..  trans-65.1-44.5178.6-177.20000110.4G11 L16 H19 L27 F54G11-V13 VanDerWaalsContact C-N 3.29Å; G11-V13 PolarHBondContact O-N 2.71Å; V13-L16 HydrophobicContact CG1-CD2 4.39Å; V13-H19 PolarHBondContact O-CE1 3.09Å; V13-H19 PolarHBondContact O-NE2 3Å; V13-L27 HydrophobicContact CG1-CD1 3.78Å; V13-L27 HydrophobicContact CG1-CD2 4.15Å; V13-L27 HydrophobicContact CG2-CD2 4.28Å; V13-F54 HydrophobicContact CG1-CZ 4.31Å; V13-F54 HydrophobicContact CG2-CZ 4.27Å
14G71.6Confident68.8Low30 Ų3084.8 Ų84.831%0.30944%0.444SS..  trans94.6-150.9-177.600000112.5
15D79.4Confident71.1Confident57 Ų5785.4 Ų85.431%0.30544%0.438SS..  trans-85.7119178.8-93.39.7000110.6S3 P5 R17 S18 H19S3-D15 PolarHBondContact OG-OD2 3.41Å; P5-D15 VanDerWaalsContact CA-OD1 3.23Å; P5-D15 WeakPolarHBondContact CA-OD1 3.35Å; P5-D15 WeakPolarHBondContact CB-OD1 3.24Å; D15-R17 PolarHBondContact O-N 3.1Å; D15-S18 PolarHBondContact O-N 2.84Å; D15-S18 PolarHBondContact O-OG 3.35Å; D15-H19 PolarHBondContact O-CD2 3.17Å; D15-H19 VanDerWaalsContact O-CD2 3.23Å
16L80.9Confident73.2Confident19 Ų1988.2 Ų88.210%0.09944%0.444CS..THydrogen-bonded Turntrans-54.2-19.6179.6-72.8172.1000114.1V13 L24 F54 K57 V58 A61V13-L16 HydrophobicContact CG1-CD2 4.39Å; L16-L24 HydrophobicContact CD2-CD2 3.89Å; L16-F54 HydrophobicContact CD2-CE2 4.33Å; L16-F54 HydrophobicContact CD2-CZ 4.23Å; L16-K57 HydrophobicContact CD1-CB 4.48Å; L16-K57 HydrophobicContact CD1-CD 3.67Å; L16-K57 HydrophobicContact CD1-CG 3.77Å; L16-V58 HydrophobicContact CD2-CG2 3.92Å; L16-A61 HydrophobicContact CB-CB 4.33Å
17R76.1Confident75.2Confident176 Ų17682.7 Ų82.766%0.66443%0.425SS*.THydrogen-bonded Turntrans-88.4-3.4179.8-54-173.177.1-103.5-0.7114.4D15 E64D15-R17 PolarHBondContact O-N 3.1Å; R17-E64 IonicContact CZ-OE1 2.78Å; R17-E64 VanDerWaalsContact CZ-OE1 3.22Å; R17-E64 IonicContact NE-OE1 3.13Å; R17-E64 PolarHBondContact NE-OE1 3.19Å; R17-E64 IonicContact NE-OE2 2.66Å; R17-E64 IonicContact NH2-OE1 3.93Å; R17-E64 PolarHBondContact NH2-OE1 3.19Å
18S79.8Confident77.3Confident94 Ų9479 Ų7966%0.65740%0.401SS*.SBendtrans-105.7-0.5176.847.70000114.7D15D15-S18 PolarHBondContact O-N 2.84Å; D15-S18 PolarHBondContact O-OG 3.35Å
19H83.9Confident79.5Confident36 Ų3677.6 Ų77.617%0.16740%0.397CS..SBendtrans-84.4155.3177.1-67.2-75.9000112.2V13 D15 E23 L24V13-H19 PolarHBondContact O-CE1 3.09Å; V13-H19 PolarHBondContact O-NE2 3Å; D15-H19 PolarHBondContact O-CD2 3.17Å; D15-H19 VanDerWaalsContact O-CD2 3.23Å; H19-E23 HydrophobicContact CB-CB 4.02Å; H19-E23 IonicContact CE1-OE2 2.67Å; H19-E23 IonicContact CG-OE2 2.7Å; H19-E23 IonicContact ND1-OE2 3.22Å; H19-E23 PolarHBondContact ND1-OE2 3.25Å; H19-L24 HydrophobicContact CB-CD2 4.03Å; H19-L24 HydrophobicContact CB-CG 3.9Å
20S88.5Confident81.5Confident41 Ų4172.6 Ų72.629%0.28738%0.378SS..  trans-66.8160.9163.363.70000111.8E22 E23 L24S20-E22 WeakPolarHBondContact CB-OE2 3.39Å; S20-E22 PolarHBondContact O-N 3.01Å; S20-E23 WeakPolarHBondContact CB-OE1 3.35Å; S20-E23 PolarHBondContact N-OE1 3.3Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 WeakPolarHBondContact OG-CB 3.49Å; S20-E23 WeakPolarHBondContact OG-CG 3.41Å; S20-E23 PolarHBondContact OG-N 2.81Å; S20-E23 VanDerWaalsContact OG-N 3.12Å; S20-E23 PolarHBondContact OG-OE1 3.17Å; S20-L24 WeakPolarHBondContact O-CG 3.43Å; S20-L24 PolarHBondContact O-N 3.18Å; S20-L24 VanDerWaalsContact O-N 3.1Å
21L89.9Confident83.3Confident31 Ų3169.9 Ų69.916%0.16237%0.366CS..Hα-helixtrans-62.5-34.8176.6180154.2000110.3L24 Q25 K69L21-L24 PolarHBondContact O-N 3.11Å; L21-Q25 HydrophobicContact CD2-CG 4.42Å; L21-Q25 WeakPolarHBondContact O-CG 3.4Å; L21-Q25 PolarHBondContact O-N 3.3Å; L21-K69 HydrophobicContact CD1-CD 4.48Å
22E91.2Very high85Confident106 Ų10669.5 Ų69.550%0.49535%0.345SS..Hα-helixtrans-68.9-43.8179.5-60.271.5-159.800111.3S20 Q25 E26S20-E22 WeakPolarHBondContact CB-OE2 3.39Å; S20-E22 PolarHBondContact O-N 3.01Å; E22-Q25 PolarHBondContact O-N 3.34Å; E22-E26 PolarHBondContact O-N 3.04Å
23E91.4Very high86.8Confident87 Ų8769 Ų6941%0.40734%0.34SS..Hα-helixtrans-62.5-41.3171.4-79.7160.5-113.200112.7H19 S20 Q25 E26 L27H19-E23 HydrophobicContact CB-CB 4.02Å; H19-E23 IonicContact CE1-OE2 2.67Å; H19-E23 IonicContact CG-OE2 2.7Å; H19-E23 IonicContact ND1-OE2 3.22Å; H19-E23 PolarHBondContact ND1-OE2 3.25Å; S20-E23 WeakPolarHBondContact CB-OE1 3.35Å; S20-E23 PolarHBondContact N-OE1 3.3Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 WeakPolarHBondContact OG-CB 3.49Å; S20-E23 WeakPolarHBondContact OG-CG 3.41Å; S20-E23 PolarHBondContact OG-N 2.81Å; S20-E23 VanDerWaalsContact OG-N 3.12Å; S20-E23 PolarHBondContact OG-OE1 3.17Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.19Å; E23-E26 PolarHBondContact O-N 2.84Å; E23-L27 WeakPolarHBondContact O-CB 3.48Å; E23-L27 WeakPolarHBondContact O-CG 3.43Å; E23-L27 PolarHBondContact O-N 2.9Å
24L91.9Very high88.1Confident2 Ų269.3 Ų69.31%0.0134%0.34CS..Hα-helixtrans-64-36.4176.4-69.1172.6000111.6L16 H19 S20 L21 L27 L28 V58 A61 I62 C65L16-L24 HydrophobicContact CD2-CD2 3.89Å; H19-L24 HydrophobicContact CB-CD2 4.03Å; H19-L24 HydrophobicContact CB-CG 3.9Å; S20-L24 WeakPolarHBondContact O-CG 3.43Å; S20-L24 PolarHBondContact O-N 3.18Å; S20-L24 VanDerWaalsContact O-N 3.1Å; L21-L24 PolarHBondContact O-N 3.11Å; L24-L27 HydrophobicContact CD2-CD1 4.39Å; L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 PolarHBondContact O-N 3.42Å; L24-V58 HydrophobicContact CB-CG1 4.42Å; L24-V58 HydrophobicContact CD2-CG1 4.44Å; L24-V58 VanDerWaalsContact O-CG1 3.24Å; L24-V58 WeakPolarHBondContact O-CG1 3.39Å; L24-A61 HydrophobicContact CD1-CB 4.17Å; L24-A61 HydrophobicContact CD2-CB 4.33Å; L24-I62 HydrophobicContact CB-CD1 4.22Å; L24-I62 HydrophobicContact CB-CG1 3.59Å; L24-I62 HydrophobicContact CD1-CG1 4.38Å; L24-C65 HydrophobicContact CD1-CB 4.49Å
25Q92Very high88.9Confident95 Ų9570 Ų7044%0.44434%0.336SS..Hα-helixtrans-66-42.2172.2-73.9179.1-300112.4L21 E22 E23 L28 L29 I62L21-Q25 HydrophobicContact CD2-CG 4.42Å; L21-Q25 WeakPolarHBondContact O-CG 3.4Å; L21-Q25 PolarHBondContact O-N 3.3Å; E22-Q25 PolarHBondContact O-N 3.34Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.19Å; Q25-L28 PolarHBondContact O-N 3.44Å; Q25-L29 WeakPolarHBondContact O-CG 3.27Å; Q25-L29 PolarHBondContact O-N 2.94Å; Q25-I62 HydrophobicContact CG-CD1 4.26Å
26E93.5Very high89.5Confident137 Ų13771.7 Ų71.764%0.6435%0.353SS*.Hα-helixtrans-62.8-44.3174.9-161.8-158.2145.200111.4E22 E23 L28 L29 R30E22-E26 PolarHBondContact O-N 3.04Å; E23-E26 PolarHBondContact O-N 2.84Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.05Å; E26-L29 PolarHBondContact O-N 3.25Å; E26-R30 WeakPolarHBondContact O-CB 3.39Å; E26-R30 PolarHBondContact O-N 2.88Å
27L91.9Very high90.1Very high27 Ų2774.9 Ų74.914%0.14137%0.37CS..Hα-helixtrans-58-44.2175.7-76.1167.1000111.5V13 E23 L24 R30 Q31 V58V13-L27 HydrophobicContact CG1-CD1 3.78Å; V13-L27 HydrophobicContact CG1-CD2 4.15Å; V13-L27 HydrophobicContact CG2-CD2 4.28Å; E23-L27 WeakPolarHBondContact O-CB 3.48Å; E23-L27 WeakPolarHBondContact O-CG 3.43Å; E23-L27 PolarHBondContact O-N 2.9Å; L24-L27 HydrophobicContact CD2-CD1 4.39Å; L27-R30 PolarHBondContact O-N 3.2Å; L27-Q31 VanDerWaalsContact O-CG 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.37Å; L27-Q31 PolarHBondContact O-N 3.43Å; L27-Q31 VanDerWaalsContact O-N 3.1Å; L27-V58 HydrophobicContact CB-CG1 4.47Å
28L93.4Very high90.8Very high26 Ų2674.1 Ų74.114%0.13637%0.372CS..Hα-helixtrans-59.2-53.5175.3-179.7155.7000111.3L24 Q25 E26 R30 Q31 E32 V58 R59 I62L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 PolarHBondContact O-N 3.42Å; Q25-L28 PolarHBondContact O-N 3.44Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.05Å; L28-R30 VanDerWaalsContact C-N 3.28Å; L28-R30 PolarHBondContact O-N 3.32Å; L28-Q31 PolarHBondContact O-N 2.82Å; L28-E32 VanDerWaalsContact CD2-CD 3.44Å; L28-E32 HydrophobicContact CD2-CG 4.18Å; L28-E32 WeakPolarHBondContact CD2-OE1 3.36Å; L28-E32 PolarHBondContact O-N 3.34Å; L28-V58 HydrophobicContact CB-CG1 3.91Å; L28-R59 HydrophobicContact CD1-CG 3.49Å; L28-R59 VanDerWaalsContact CD1-CG 3.49Å; L28-R59 HydrophobicContact CG-CG 4.5Å; L28-I62 HydrophobicContact CB-CD1 4.27Å; L28-I62 HydrophobicContact CD1-CD1 3.62Å
29L94.3Very high91.3Very high109 Ų10979.6 Ų79.657%0.57138%0.378SS*.Hα-helixtrans-59.5-39.1-179.7-70.4170.4000112.1Q25 E26 K33Q25-L29 WeakPolarHBondContact O-CG 3.27Å; Q25-L29 PolarHBondContact O-N 2.94Å; E26-L29 PolarHBondContact O-N 3.25Å; L29-K33 VanDerWaalsContact O-CB 3.31Å; L29-K33 WeakPolarHBondContact O-CB 3.47Å; L29-K33 PolarHBondContact O-N 3.42Å
30R92.2Very high91.5Very high114 Ų11482.3 Ų82.343%0.4339%0.389SS..Hα-helixtrans-61.4-42.4175.1-178.6-175.8171.6-75.9-2111.7E26 L27 L28 I34E26-R30 WeakPolarHBondContact O-CB 3.39Å; E26-R30 PolarHBondContact O-N 2.88Å; L27-R30 PolarHBondContact O-N 3.2Å; L28-R30 VanDerWaalsContact C-N 3.28Å; L28-R30 PolarHBondContact O-N 3.32Å; R30-I34 HydrophobicContact CG-CD1 4.39Å; R30-I34 WeakPolarHBondContact O-CD1 3.37Å; R30-I34 WeakPolarHBondContact O-CG1 3.11Å; R30-I34 PolarHBondContact O-N 3.06Å
31Q91.8Very high91.5Very high0 Ų081.5 Ų81.50%038%0.381CS..Hα-helixtrans-75-39.1-179.3-59.8-69.517.400111.9L27 L28 K33 I34 L35 I51 F54 A55L27-Q31 VanDerWaalsContact O-CG 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.37Å; L27-Q31 PolarHBondContact O-N 3.43Å; L27-Q31 VanDerWaalsContact O-N 3.1Å; L28-Q31 PolarHBondContact O-N 2.82Å; Q31-K33 VanDerWaalsContact C-N 3.29Å; Q31-K33 PolarHBondContact O-N 3.4Å; Q31-I34 PolarHBondContact O-N 2.81Å; Q31-L35 WeakPolarHBondContact O-CG 3.39Å; Q31-L35 PolarHBondContact O-N 3Å; Q31-I51 HydrophobicContact CB-CG2 4.4Å; Q31-F54 HydrophobicContact CG-CD1 3.75Å; Q31-F54 HydrophobicContact CG-CE1 3.86Å; Q31-F54 VanDerWaalsContact NE2-CD1 3.26Å; Q31-F54 VanDerWaalsContact NE2-CE1 3.29Å; Q31-A55 HydrophobicContact CB-CB 4.16Å
32E92.3Very high91.5Very high63 Ų6386.9 Ų86.929%0.29441%0.406SS..Hα-helixtrans-61.3-37.4173.4-69.8-175.6169.900112.1L28 I34 L35 S36 R59L28-E32 VanDerWaalsContact CD2-CD 3.44Å; L28-E32 HydrophobicContact CD2-CG 4.18Å; L28-E32 WeakPolarHBondContact CD2-OE1 3.36Å; L28-E32 PolarHBondContact O-N 3.34Å; E32-I34 VanDerWaalsContact C-N 3.31Å; E32-I34 PolarHBondContact O-N 2.92Å; E32-L35 PolarHBondContact O-N 2.71Å; E32-S36 WeakPolarHBondContact O-CB 3.35Å; E32-S36 PolarHBondContact O-N 3.39Å; E32-S36 PolarHBondContact O-OG 2.87Å; E32-R59 IonicContact OE1-CZ 3.69Å; E32-R59 IonicContact OE1-NE 2.58Å; E32-R59 IonicContact OE1-NH2 3.44Å; E32-R59 PolarHBondContact OE1-NH2 2.85Å
33K93.5Very high91.5Very high168 Ų16887.3 Ų87.373%0.7342%0.416SS*.Hα-helixtrans-63.4-33.6172.2-173.1175.2-176175.20113.1L29 Q31L29-K33 VanDerWaalsContact O-CB 3.31Å; L29-K33 WeakPolarHBondContact O-CB 3.47Å; L29-K33 PolarHBondContact O-N 3.42Å; Q31-K33 VanDerWaalsContact C-N 3.29Å; Q31-K33 PolarHBondContact O-N 3.4Å
34I90.4Very high91.3Very high37 Ų3785.2 Ų85.219%0.1941%0.407CS..Hα-helixtrans-74.8-45.1174.6-66.2162.6000110.5R30 Q31 E32 S36 N37 F40 L41 I51R30-I34 HydrophobicContact CG-CD1 4.39Å; R30-I34 WeakPolarHBondContact O-CD1 3.37Å; R30-I34 WeakPolarHBondContact O-CG1 3.11Å; R30-I34 PolarHBondContact O-N 3.06Å; Q31-I34 PolarHBondContact O-N 2.81Å; E32-I34 VanDerWaalsContact C-N 3.31Å; E32-I34 PolarHBondContact O-N 2.92Å; I34-S36 PolarHBondContact O-N 2.65Å; I34-N37 PolarHBondContact O-N 2.91Å; I34-F40 HydrophobicContact CG2-CD1 3.85Å; I34-F40 HydrophobicContact CG2-CE1 3.68Å; I34-L41 HydrophobicContact CG2-CD2 4.46Å; I34-I51 HydrophobicContact CG2-CD1 3.85Å; I34-I51 HydrophobicContact CG2-CG2 4.22Å
35L89.6Confident91.2Very high45 Ų4591.7 Ų91.724%0.23645%0.449CS..Hα-helixtrans-61-30.1177.1-70.5169.7000112.8Q31 E32 N37 L41 I51 Q52 A55Q31-L35 WeakPolarHBondContact O-CG 3.39Å; Q31-L35 PolarHBondContact O-N 3Å; E32-L35 PolarHBondContact O-N 2.71Å; L35-N37 PolarHBondContact O-N 2.67Å; L35-L41 HydrophobicContact CD2-CD1 4.17Å; L35-L41 HydrophobicContact CD2-CD2 4.33Å; L35-L41 WeakPolarHBondContact O-CD1 3.5Å; L35-I51 HydrophobicContact CD1-CG2 4.42Å; L35-I51 HydrophobicContact CD2-CB 3.94Å; L35-I51 HydrophobicContact CD2-CG2 3.76Å; L35-I51 HydrophobicContact CG-CG2 3.79Å; L35-Q52 HydrophobicContact CD2-CB 4.35Å; L35-A55 HydrophobicContact CD1-CB 4.16Å
36S92.1Very high91.1Very high93 Ų9389.1 Ų89.165%0.6544%0.439SS*.THydrogen-bonded Turntrans-61.9-27.6173.4-62.90000113.2E32 I34 K38E32-S36 WeakPolarHBondContact O-CB 3.35Å; E32-S36 PolarHBondContact O-N 3.39Å; E32-S36 PolarHBondContact O-OG 2.87Å; I34-S36 PolarHBondContact O-N 2.65Å; S36-K38 PolarHBondContact O-N 3.34Å; S36-K38 VanDerWaalsContact O-N 3.11Å
37N93.4Very high90.9Very high85 Ų8587.5 Ų87.546%0.45543%0.434SS..  trans-87.177.2-179.2-171.7-8.1000112.1I34 L35 R39 F40 L41I34-N37 PolarHBondContact O-N 2.91Å; L35-N37 PolarHBondContact O-N 2.67Å; N37-R39 PolarHBondContact O-N 3.46Å; N37-R39 VanDerWaalsContact O-N 3.09Å; N37-R39 PolarHBondContact OD1-N 3.04Å; N37-F40 HydrophobicContact CB-CB 4.06Å; N37-F40 WeakPolarHBondContact O-CB 3.47Å; N37-F40 PolarHBondContact O-N 2.97Å; N37-F40 PolarHBondContact OD1-N 3.15Å; N37-L41 PolarHBondContact O-N 3Å; N37-L41 VanDerWaalsContact O-N 3.12Å
38K90.7Very high90.7Very high161 Ų16186.3 Ų86.370%0.743%0.429SS*.Hα-helixtrans-52.4-33-178.9-60.8-176.4-179.1-1780114.4S36 L41 Q42S36-K38 PolarHBondContact O-N 3.34Å; S36-K38 VanDerWaalsContact O-N 3.11Å; K38-L41 PolarHBondContact O-N 2.76Å; K38-Q42 VanDerWaalsContact O-CG 3.31Å; K38-Q42 WeakPolarHBondContact O-CG 3.49Å; K38-Q42 PolarHBondContact O-N 2.93Å; K38-Q42 VanDerWaalsContact O-N 3.1Å
39R90.5Very high90.5Very high208 Ų20891.9 Ų91.979%0.78545%0.452SS*.Hα-helixtrans-68.8-40176.9-68.7-174.7-179.9-178.70.6112.1N37 T43N37-R39 PolarHBondContact O-N 3.46Å; N37-R39 VanDerWaalsContact O-N 3.09Å; N37-R39 PolarHBondContact OD1-N 3.04Å; R39-T43 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-OG1 3.03Å
40F87.8Confident90.3Very high93 Ų9393.5 Ų93.541%0.40846%0.455SS..Hα-helixtrans-64.7-45.6174.4174.7-105.2000110.9I34 N37 Q42 T43 L44 I51I34-F40 HydrophobicContact CG2-CD1 3.85Å; I34-F40 HydrophobicContact CG2-CE1 3.68Å; N37-F40 HydrophobicContact CB-CB 4.06Å; N37-F40 WeakPolarHBondContact O-CB 3.47Å; N37-F40 PolarHBondContact O-N 2.97Å; N37-F40 PolarHBondContact OD1-N 3.15Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 3.02Å; F40-T43 WeakPolarHBondContact O-CA 3.42Å; F40-T43 WeakPolarHBondContact O-CB 3.43Å; F40-T43 PolarHBondContact O-N 3.1Å; F40-L44 HydrophobicContact CD1-CD1 4.34Å; F40-L44 HydrophobicContact CE1-CD1 3.86Å; F40-L44 HydrophobicContact CE1-CD2 4.45Å; F40-L44 HydrophobicContact CE1-CG 4.39Å; F40-L44 HydrophobicContact CE2-CD2 4.4Å; F40-L44 HydrophobicContact CZ-CD1 4.28Å; F40-L44 HydrophobicContact CZ-CD2 4.05Å; F40-L44 HydrophobicContact CZ-CG 4.45Å; F40-L44 PolarHBondContact O-N 3.15Å; F40-I51 HydrophobicContact CE1-CD1 4.43Å
41L88.8Confident90.1Very high24 Ų2488.7 Ų88.713%0.12644%0.437CS..Hα-helixtrans-57.4-45177.3-56.5-172.2000112.3I34 L35 N37 K38 T43 L44 N47 I51I34-L41 HydrophobicContact CG2-CD2 4.46Å; L35-L41 HydrophobicContact CD2-CD1 4.17Å; L35-L41 HydrophobicContact CD2-CD2 4.33Å; L35-L41 WeakPolarHBondContact O-CD1 3.5Å; N37-L41 PolarHBondContact O-N 3Å; N37-L41 VanDerWaalsContact O-N 3.12Å; K38-L41 PolarHBondContact O-N 2.76Å; L41-T43 PolarHBondContact O-N 2.93Å; L41-T43 VanDerWaalsContact O-N 3.16Å; L41-L44 WeakPolarHBondContact O-CB 3.39Å; L41-L44 PolarHBondContact O-N 3.47Å; L41-N47 CarbonylContact O-C 3.6Å; L41-N47 WeakPolarHBondContact O-CA 3.17Å; L41-I51 HydrophobicContact CD2-CD1 3.95Å
42Q88Confident90.1Very high144 Ų14493.4 Ų93.467%0.67346%0.459SS*.THydrogen-bonded Turntrans-65-13.2176.5-73.4172.8-23.100114.2K38 F40K38-Q42 VanDerWaalsContact O-CG 3.31Å; K38-Q42 WeakPolarHBondContact O-CG 3.49Å; K38-Q42 PolarHBondContact O-N 2.93Å; K38-Q42 VanDerWaalsContact O-N 3.1Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 3.02Å
43T91.8Very high90Very high115 Ų11594.6 Ų94.671%0.70647%0.468SS*.THydrogen-bonded Turntrans-89.2-12.9174.2-490000111.7R39 F40 L41R39-T43 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-OG1 3.03Å; F40-T43 WeakPolarHBondContact O-CA 3.42Å; F40-T43 WeakPolarHBondContact O-CB 3.43Å; F40-T43 PolarHBondContact O-N 3.1Å; L41-T43 PolarHBondContact O-N 2.93Å; L41-T43 VanDerWaalsContact O-N 3.16Å
44L88.1Confident89.8Confident44 Ų4487.2 Ų87.223%0.2344%0.436CS..SBendtrans-87.7142.8179.9-61175.9000111.8F40 L41 D46 N47 I51F40-L44 HydrophobicContact CD1-CD1 4.34Å; F40-L44 HydrophobicContact CE1-CD1 3.86Å; F40-L44 HydrophobicContact CE1-CD2 4.45Å; F40-L44 HydrophobicContact CE1-CG 4.39Å; F40-L44 HydrophobicContact CE2-CD2 4.4Å; F40-L44 HydrophobicContact CZ-CD1 4.28Å; F40-L44 HydrophobicContact CZ-CD2 4.05Å; F40-L44 HydrophobicContact CZ-CG 4.45Å; F40-L44 PolarHBondContact O-N 3.15Å; L41-L44 WeakPolarHBondContact O-CB 3.39Å; L41-L44 PolarHBondContact O-N 3.47Å; L44-D46 WeakPolarHBondContact CB-OD1 3.48Å; L44-D46 PolarHBondContact O-N 2.85Å; L44-D46 VanDerWaalsContact O-N 3.1Å; L44-N47 PolarHBondContact O-N 2.98Å; L44-I51 HydrophobicContact CD1-CD1 3.56Å
45P89.1Confident89.9Confident137 Ų13785.8 Ų85.889%0.8943%0.429SS*.THydrogen-bonded Turntrans-66.3-15.1-177.528.2-36.4000114.1
46D90.2Very high90Very high41 Ų4188.1 Ų88.122%0.21944%0.439CS..THydrogen-bonded Turntrans-106.66.7176.767-7.5000113.3L44 G48 K49 K50L44-D46 WeakPolarHBondContact CB-OD1 3.48Å; L44-D46 PolarHBondContact O-N 2.85Å; L44-D46 VanDerWaalsContact O-N 3.1Å; D46-G48 PolarHBondContact O-N 3.44Å; D46-G48 VanDerWaalsContact O-N 3.15Å; D46-G48 WeakPolarHBondContact OD1-CA 3.41Å; D46-G48 PolarHBondContact OD1-N 2.85Å; D46-K49 WeakPolarHBondContact O-CG 3.34Å; D46-K49 PolarHBondContact O-N 2.93Å; D46-K50 WeakPolarHBondContact OD2-CB 3.45Å; D46-K50 WeakPolarHBondContact OD2-CD 3.31Å; D46-K50 VanDerWaalsContact OD2-CG 3.22Å; D46-K50 WeakPolarHBondContact OD2-CG 3.38Å; D46-K50 PolarHBondContact OD2-N 3.35Å
47N89.1Confident90Very high103 Ų10387.2 Ų87.255%0.55142%0.423SS*.THydrogen-bonded Turntrans52.723.9-169.9-69.8-93000114.2L41 L44L41-N47 CarbonylContact O-C 3.6Å; L41-N47 WeakPolarHBondContact O-CA 3.17Å; L44-N47 PolarHBondContact O-N 2.98Å
48G87.6Confident89.9Confident3 Ų383.2 Ų83.23%0.03140%0.402CS..THydrogen-bonded Turntrans82.99.1-179.100000115.6D46 K50 I51 Q52D46-G48 PolarHBondContact O-N 3.44Å; D46-G48 VanDerWaalsContact O-N 3.15Å; D46-G48 WeakPolarHBondContact OD1-CA 3.41Å; D46-G48 PolarHBondContact OD1-N 2.85Å; G48-K50 VanDerWaalsContact C-N 3.31Å; G48-K50 PolarHBondContact O-N 2.94Å; G48-I51 WeakPolarHBondContact O-CA 3.16Å; G48-I51 VanDerWaalsContact O-CB 3.24Å; G48-I51 WeakPolarHBondContact O-CB 3.36Å; G48-I51 PolarHBondContact O-N 3.15Å; G48-Q52 PolarHBondContact O-N 3.19Å
49K89.8Confident90.1Very high143 Ų14382.1 Ų82.162%0.62239%0.393SS*.Hα-helixtrans-51.1-47.2179.7-76178.3178.4-173.20112.9D46 I51 Q52 D53D46-K49 WeakPolarHBondContact O-CG 3.34Å; D46-K49 PolarHBondContact O-N 2.93Å; K49-I51 PolarHBondContact O-N 2.93Å; K49-I51 VanDerWaalsContact O-N 3.08Å; K49-Q52 WeakPolarHBondContact O-CA 3.45Å; K49-Q52 WeakPolarHBondContact O-CB 3.37Å; K49-Q52 PolarHBondContact O-N 2.95Å; K49-D53 PolarHBondContact O-N 3.4Å
50K89.7Confident90.2Very high143 Ų14378.3 Ų78.362%0.62239%0.388SS*.Hα-helixtrans-61-22.5177.9-65.5177-175.9-178.20114.2D46 G48 D53 F54D46-K50 WeakPolarHBondContact OD2-CB 3.45Å; D46-K50 WeakPolarHBondContact OD2-CD 3.31Å; D46-K50 VanDerWaalsContact OD2-CG 3.22Å; D46-K50 WeakPolarHBondContact OD2-CG 3.38Å; D46-K50 PolarHBondContact OD2-N 3.35Å; G48-K50 VanDerWaalsContact C-N 3.31Å; G48-K50 PolarHBondContact O-N 2.94Å; K50-D53 WeakPolarHBondContact CA-OD2 3.31Å; K50-F54 VanDerWaalsContact O-CB 3.22Å; K50-F54 WeakPolarHBondContact O-CB 3.22Å; K50-F54 PolarHBondContact O-N 3.26Å
51I88.9Confident90.4Very high12 Ų1274.5 Ų74.56%0.06237%0.373CS..Hα-helixtrans-77.7-40.2177-52.3175.5000109.3Q31 I34 L35 F40 L41 L44 G48 K49 A55Q31-I51 HydrophobicContact CB-CG2 4.4Å; I34-I51 HydrophobicContact CG2-CD1 3.85Å; I34-I51 HydrophobicContact CG2-CG2 4.22Å; L35-I51 HydrophobicContact CD1-CG2 4.42Å; L35-I51 HydrophobicContact CD2-CB 3.94Å; L35-I51 HydrophobicContact CD2-CG2 3.76Å; L35-I51 HydrophobicContact CG-CG2 3.79Å; F40-I51 HydrophobicContact CE1-CD1 4.43Å; L41-I51 HydrophobicContact CD2-CD1 3.95Å; L44-I51 HydrophobicContact CD1-CD1 3.56Å; G48-I51 WeakPolarHBondContact O-CA 3.16Å; G48-I51 VanDerWaalsContact O-CB 3.24Å; G48-I51 WeakPolarHBondContact O-CB 3.36Å; G48-I51 PolarHBondContact O-N 3.15Å; K49-I51 PolarHBondContact O-N 2.93Å; K49-I51 VanDerWaalsContact O-N 3.08Å; I51-A55 WeakPolarHBondContact O-CB 3.37Å; I51-A55 PolarHBondContact O-N 3.24Å
52Q90.7Very high90.6Very high100 Ų10074.6 Ų74.647%0.46737%0.374SS..Hα-helixtrans-66.3-51.2171.8-179.5179.7-17.300111.2L35 G48 K49 F54 A55 E56L35-Q52 HydrophobicContact CD2-CB 4.35Å; G48-Q52 PolarHBondContact O-N 3.19Å; K49-Q52 WeakPolarHBondContact O-CA 3.45Å; K49-Q52 WeakPolarHBondContact O-CB 3.37Å; K49-Q52 PolarHBondContact O-N 2.95Å; Q52-F54 PolarHBondContact O-N 3.1Å; Q52-A55 PolarHBondContact O-N 3.45Å; Q52-E56 HydrophobicContact CG-CG 4.47Å; Q52-E56 VanDerWaalsContact CG-OE1 3.3Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.47Å; Q52-E56 PolarHBondContact NE2-OE1 3.38Å; Q52-E56 PolarHBondContact O-N 3.17Å
53D91.1Very high90.9Very high88 Ų8873.2 Ų73.247%0.47137%0.367SS..Hα-helixtrans-53.5-41178.6-54.2-31.7000111.2K49 K50 K57K49-D53 PolarHBondContact O-N 3.4Å; K50-D53 WeakPolarHBondContact CA-OD2 3.31Å; D53-K57 WeakPolarHBondContact O-CB 3.41Å; D53-K57 PolarHBondContact O-N 2.91Å
54F89.3Confident90.9Very high13 Ų1372.3 Ų72.36%0.05736%0.355CS..Hα-helixtrans-71.3-40.9176.1179.6-87.4000112.6V13 L16 Q31 K50 Q52 K57 V58V13-F54 HydrophobicContact CG1-CZ 4.31Å; V13-F54 HydrophobicContact CG2-CZ 4.27Å; L16-F54 HydrophobicContact CD2-CE2 4.33Å; L16-F54 HydrophobicContact CD2-CZ 4.23Å; Q31-F54 HydrophobicContact CG-CD1 3.75Å; Q31-F54 HydrophobicContact CG-CE1 3.86Å; Q31-F54 VanDerWaalsContact NE2-CD1 3.26Å; Q31-F54 VanDerWaalsContact NE2-CE1 3.29Å; K50-F54 VanDerWaalsContact O-CB 3.22Å; K50-F54 WeakPolarHBondContact O-CB 3.22Å; K50-F54 PolarHBondContact O-N 3.26Å; Q52-F54 PolarHBondContact O-N 3.1Å; F54-K57 PolarHBondContact O-N 3.37Å; F54-V58 HydrophobicContact CD1-CG2 3.94Å; F54-V58 HydrophobicContact CE1-CG2 3.42Å; F54-V58 VanDerWaalsContact CE1-CG2 3.42Å; F54-V58 HydrophobicContact CE2-CG2 4.38Å; F54-V58 HydrophobicContact CZ-CG2 3.68Å; F54-V58 WeakPolarHBondContact O-CG2 3.33Å; F54-V58 PolarHBondContact O-N 3.16Å
55A91.4Very high90.9Very high6 Ų672 Ų725%0.0536%0.356CS..Hα-helixtrans-63.8-39.4176.700000112.2Q31 L35 I51 Q52 V58 R59Q31-A55 HydrophobicContact CB-CB 4.16Å; L35-A55 HydrophobicContact CD1-CB 4.16Å; I51-A55 WeakPolarHBondContact O-CB 3.37Å; I51-A55 PolarHBondContact O-N 3.24Å; Q52-A55 PolarHBondContact O-N 3.45Å; A55-V58 PolarHBondContact O-N 3.47Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.27Å
56E92.6Very high91Very high95 Ų9567.1 Ų67.144%0.44433%0.325SS..Hα-helixtrans-64.5-41.5172.5-69.8178.3-159.100111.3Q52 V58 R59 L60Q52-E56 HydrophobicContact CG-CG 4.47Å; Q52-E56 VanDerWaalsContact CG-OE1 3.3Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.47Å; Q52-E56 PolarHBondContact NE2-OE1 3.38Å; Q52-E56 PolarHBondContact O-N 3.17Å; E56-V58 PolarHBondContact O-N 2.97Å; E56-R59 WeakPolarHBondContact O-CB 3.41Å; E56-R59 PolarHBondContact O-N 2.86Å; E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 3.15Å
57K91.6Very high91.1Very high74 Ų7468.7 Ų68.732%0.32233%0.331SS..Hα-helixtrans-63.9-36.8174.1-165.1-175.3-179.1-163.90113.2W6 L16 D53 F54 L60 A61W6-K57 VanDerWaalsContact CD1-NZ 3.33Å; W6-K57 VanDerWaalsContact NE1-NZ 3.15Å; L16-K57 HydrophobicContact CD1-CB 4.48Å; L16-K57 HydrophobicContact CD1-CD 3.67Å; L16-K57 HydrophobicContact CD1-CG 3.77Å; D53-K57 WeakPolarHBondContact O-CB 3.41Å; D53-K57 PolarHBondContact O-N 2.91Å; F54-K57 PolarHBondContact O-N 3.37Å; K57-L60 PolarHBondContact O-N 3.1Å; K57-A61 PolarHBondContact O-N 2.99Å
58V91.8Very high91.2Very high0 Ų066.5 Ų66.50%032%0.318CS..Hα-helixtrans-67.9-41.1173.9172.70000111L16 L24 L27 L28 F54 A55 E56 L60 A61 I62L16-V58 HydrophobicContact CD2-CG2 3.92Å; L24-V58 HydrophobicContact CB-CG1 4.42Å; L24-V58 HydrophobicContact CD2-CG1 4.44Å; L24-V58 VanDerWaalsContact O-CG1 3.24Å; L24-V58 WeakPolarHBondContact O-CG1 3.39Å; L27-V58 HydrophobicContact CB-CG1 4.47Å; L28-V58 HydrophobicContact CB-CG1 3.91Å; F54-V58 HydrophobicContact CD1-CG2 3.94Å; F54-V58 HydrophobicContact CE1-CG2 3.42Å; F54-V58 VanDerWaalsContact CE1-CG2 3.42Å; F54-V58 HydrophobicContact CE2-CG2 4.38Å; F54-V58 HydrophobicContact CZ-CG2 3.68Å; F54-V58 WeakPolarHBondContact O-CG2 3.33Å; F54-V58 PolarHBondContact O-N 3.16Å; A55-V58 PolarHBondContact O-N 3.47Å; E56-V58 PolarHBondContact O-N 2.97Å; V58-L60 VanDerWaalsContact C-N 3.32Å; V58-L60 PolarHBondContact O-N 2.96Å; V58-A61 PolarHBondContact O-N 3.35Å; V58-A61 VanDerWaalsContact O-N 3.13Å; V58-I62 HydrophobicContact CG1-CD1 4.07Å; V58-I62 HydrophobicContact CG1-CG1 4.46Å; V58-I62 WeakPolarHBondContact O-CG1 3.3Å; V58-I62 PolarHBondContact O-N 3.39Å
59R93.8Very high91.4Very high139 Ų13972 Ų7253%0.52534%0.341SS..Hα-helixtrans-57.6-43.9173.4-74.8173.1174.8-171.2-2.9112L28 E32 A55 E56 I62 E63L28-R59 HydrophobicContact CD1-CG 3.49Å; L28-R59 VanDerWaalsContact CD1-CG 3.49Å; L28-R59 HydrophobicContact CG-CG 4.5Å; E32-R59 IonicContact OE1-CZ 3.69Å; E32-R59 IonicContact OE1-NE 2.58Å; E32-R59 IonicContact OE1-NH2 3.44Å; E32-R59 PolarHBondContact OE1-NH2 2.85Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.27Å; E56-R59 WeakPolarHBondContact O-CB 3.41Å; E56-R59 PolarHBondContact O-N 2.86Å; R59-I62 PolarHBondContact O-N 3.44Å; R59-E63 PolarHBondContact O-N 3.35Å
60L93.2Very high91.6Very high127 Ų12772.2 Ų72.267%0.66534%0.338SS*.Hα-helixtrans-64.1-37.7174.7-68.4171.7000112.8E56 K57 V58 E63 E64E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 3.15Å; K57-L60 PolarHBondContact O-N 3.1Å; V58-L60 VanDerWaalsContact C-N 3.32Å; V58-L60 PolarHBondContact O-N 2.96Å; L60-E63 PolarHBondContact O-N 3.24Å; L60-E64 PolarHBondContact O-N 3.25Å
61A91.6Very high91.9Very high13 Ų1371.6 Ų71.611%0.10733%0.331CS..Hα-helixtrans-68.3-35.1176.500000113L16 L24 K57 V58 E63 C65L16-A61 HydrophobicContact CB-CB 4.33Å; L24-A61 HydrophobicContact CD1-CB 4.17Å; L24-A61 HydrophobicContact CD2-CB 4.33Å; K57-A61 PolarHBondContact O-N 2.99Å; V58-A61 PolarHBondContact O-N 3.35Å; V58-A61 VanDerWaalsContact O-N 3.13Å; A61-E63 VanDerWaalsContact C-N 3.32Å; A61-C65 VanDerWaalsContact O-CB 3.25Å; A61-C65 WeakPolarHBondContact O-CB 3.47Å; A61-C65 PolarHBondContact O-N 3.49Å
62I93Very high92.2Very high26 Ų2676.3 Ų76.313%0.13335%0.353CS..Hα-helixtrans-62.8-41173-67.8166.7000110.4L24 Q25 L28 V58 R59 C65 S66L24-I62 HydrophobicContact CB-CD1 4.22Å; L24-I62 HydrophobicContact CB-CG1 3.59Å; L24-I62 HydrophobicContact CD1-CG1 4.38Å; Q25-I62 HydrophobicContact CG-CD1 4.26Å; L28-I62 HydrophobicContact CB-CD1 4.27Å; L28-I62 HydrophobicContact CD1-CD1 3.62Å; V58-I62 HydrophobicContact CG1-CD1 4.07Å; V58-I62 HydrophobicContact CG1-CG1 4.46Å; V58-I62 WeakPolarHBondContact O-CG1 3.3Å; V58-I62 PolarHBondContact O-N 3.39Å; R59-I62 PolarHBondContact O-N 3.44Å; I62-C65 PolarHBondContact O-N 3.06Å; I62-S66 WeakPolarHBondContact O-CB 3.38Å; I62-S66 PolarHBondContact O-N 3.25Å; I62-S66 PolarHBondContact O-OG 2.58Å
63E93.7Very high92.5Very high116 Ų11675.4 Ų75.454%0.54236%0.358SS..Hα-helixtrans-71.4-39.2178.7-162.370.4173.400112.6R59 L60 A61 C65 S66 E67R59-E63 PolarHBondContact O-N 3.35Å; L60-E63 PolarHBondContact O-N 3.24Å; A61-E63 VanDerWaalsContact C-N 3.32Å; E63-C65 VanDerWaalsContact C-N 3.29Å; E63-C65 PolarHBondContact O-N 2.86Å; E63-S66 PolarHBondContact O-N 2.99Å; E63-S66 PolarHBondContact O-OG 2.77Å; E63-S66 VanDerWaalsContact O-OG 3.05Å; E63-E67 PolarHBondContact O-N 3.38Å; E63-E67 VanDerWaalsContact O-N 3.11Å
64E91.7Very high92.8Very high95 Ų9576.7 Ų76.744%0.44436%0.364SS..Hα-helixtrans-58.9-42.8170.4-171.6-173.7159.200110.8R17 L60 E68R17-E64 IonicContact CZ-OE1 2.78Å; R17-E64 VanDerWaalsContact CZ-OE1 3.22Å; R17-E64 IonicContact NE-OE1 3.13Å; R17-E64 PolarHBondContact NE-OE1 3.19Å; R17-E64 IonicContact NE-OE2 2.66Å; R17-E64 IonicContact NH2-OE1 3.93Å; R17-E64 PolarHBondContact NH2-OE1 3.19Å; L60-E64 PolarHBondContact O-N 3.25Å; E64-E68 VanDerWaalsContact O-CB 3.24Å; E64-E68 WeakPolarHBondContact O-CB 3.44Å; E64-E68 PolarHBondContact O-N 3.5Å
65C89.8Confident93.2Very high39 Ų3982.5 Ų82.526%0.26439%0.393SS..Hα-helixtrans-71.1-38.1-179.3-166.50000112.9L24 A61 I62 E63 K69L24-C65 HydrophobicContact CD1-CB 4.49Å; A61-C65 VanDerWaalsContact O-CB 3.25Å; A61-C65 WeakPolarHBondContact O-CB 3.47Å; A61-C65 PolarHBondContact O-N 3.49Å; I62-C65 PolarHBondContact O-N 3.06Å; E63-C65 VanDerWaalsContact C-N 3.29Å; E63-C65 PolarHBondContact O-N 2.86Å; C65-K69 WeakPolarHBondContact O-CB 3.22Å; C65-K69 PolarHBondContact O-N 2.98Å
66S90.1Very high93.5Very high34 Ų3485.9 Ų85.924%0.23842%0.417CS..Hα-helixtrans-68-42.2178.472.50000111.6I62 E63 K69 R70I62-S66 WeakPolarHBondContact O-CB 3.38Å; I62-S66 PolarHBondContact O-N 3.25Å; I62-S66 PolarHBondContact O-OG 2.58Å; E63-S66 PolarHBondContact O-N 2.99Å; E63-S66 PolarHBondContact O-OG 2.77Å; E63-S66 VanDerWaalsContact O-OG 3.05Å; S66-K69 PolarHBondContact O-N 3.08Å; S66-R70 PolarHBondContact O-N 2.97Å
67E92.6Very high93.7Very high73 Ų7383.7 Ų83.734%0.34142%0.415SS..Hα-helixtrans-73.5-34.5176.7-72.5-54.1126.100113.1E63 R70 R71E63-E67 PolarHBondContact O-N 3.38Å; E63-E67 VanDerWaalsContact O-N 3.11Å; E67-R70 VanDerWaalsContact CD-NE 3.25Å; E67-R70 PolarHBondContact O-N 2.91Å; E67-R70 IonicContact OE1-CZ 2.66Å; E67-R70 IonicContact OE1-NE 2.73Å; E67-R70 PolarHBondContact OE1-NE 3.24Å; E67-R70 IonicContact OE1-NH2 4Å; E67-R70 PolarHBondContact OE1-NH2 3.11Å; E67-R70 WeakPolarHBondContact OE2-CD 3.24Å; E67-R70 IonicContact OE2-CZ 2.74Å; E67-R70 IonicContact OE2-NE 3.54Å; E67-R70 PolarHBondContact OE2-NE 3.48Å; E67-R71 WeakPolarHBondContact O-CB 3.36Å; E67-R71 PolarHBondContact O-N 2.88Å
68E91.4Very high94Very high58 Ų5882.9 Ų82.927%0.27142%0.421SS..Hα-helixtrans-57.9-48.7167.7179.266.3-117.300110.5E64 R70 R71 Q72E64-E68 VanDerWaalsContact O-CB 3.24Å; E64-E68 WeakPolarHBondContact O-CB 3.44Å; E64-E68 PolarHBondContact O-N 3.5Å; E68-R70 PolarHBondContact O-N 3.49Å; E68-R71 PolarHBondContact O-N 3.28Å; E68-R71 IonicContact OE1-CZ 2.67Å; E68-R71 IonicContact OE1-NH1 2.89Å; E68-R71 PolarHBondContact OE1-NH1 2.95Å; E68-R71 IonicContact OE1-NH2 2.6Å; E68-R71 PolarHBondContact OE1-NH2 3.12Å; E68-R71 IonicContact OE2-CZ 3.54Å; E68-R71 IonicContact OE2-NH1 3.82Å; E68-R71 PolarHBondContact OE2-NH1 3.41Å; E68-R71 IonicContact OE2-NH2 3.62Å; E68-R71 PolarHBondContact OE2-NH2 3.04Å; E68-Q72 WeakPolarHBondContact O-CB 3.47Å; E68-Q72 VanDerWaalsContact O-CG 3.31Å; E68-Q72 WeakPolarHBondContact O-CG 3.5Å; E68-Q72 PolarHBondContact O-N 3.47Å; E68-Q72 WeakPolarHBondContact OE1-CG 3.43Å; E68-Q72 PolarHBondContact OE1-NE2 3.5Å
69K91.4Very high94.3Very high118 Ų11890.9 Ų90.951%0.51345%0.452SS..Hα-helixtrans-63.6-38.2177.5-163.6169.2-174.6171.80112L21 C65 S66 S73L21-K69 HydrophobicContact CD1-CD 4.48Å; C65-K69 WeakPolarHBondContact O-CB 3.22Å; C65-K69 PolarHBondContact O-N 2.98Å; S66-K69 PolarHBondContact O-N 3.08Å; K69-S73 WeakPolarHBondContact O-CB 3.41Å; K69-S73 PolarHBondContact O-N 3.12Å
70R94.4Very high94.4Very high148 Ų14886.8 Ų86.856%0.55845%0.448SS*.Hα-helixtrans-61.4-50.1172.5-168.5-159.4-60.9-922.8111.3S66 E67 E68 S73 L74S66-R70 PolarHBondContact O-N 2.97Å; E67-R70 VanDerWaalsContact CD-NE 3.25Å; E67-R70 PolarHBondContact O-N 2.91Å; E67-R70 IonicContact OE1-CZ 2.66Å; E67-R70 IonicContact OE1-NE 2.73Å; E67-R70 PolarHBondContact OE1-NE 3.24Å; E67-R70 IonicContact OE1-NH2 4Å; E67-R70 PolarHBondContact OE1-NH2 3.11Å; E67-R70 WeakPolarHBondContact OE2-CD 3.24Å; E67-R70 IonicContact OE2-CZ 2.74Å; E67-R70 IonicContact OE2-NE 3.54Å; E67-R70 PolarHBondContact OE2-NE 3.48Å; E68-R70 PolarHBondContact O-N 3.49Å; R70-S73 WeakPolarHBondContact O-CB 3.23Å; R70-S73 PolarHBondContact O-N 3.09Å; R70-L74 HydrophobicContact CG-CD1 4.49Å; R70-L74 WeakPolarHBondContact O-CG 3.37Å; R70-L74 PolarHBondContact O-N 2.87Å
71R96Very high94.5Very high129 Ų12985.9 Ų85.949%0.48744%0.44SS..Hα-helixtrans-63.5-42179172164.545.259.85.8111.9E67 E68 S73 L74 M75E67-R71 WeakPolarHBondContact O-CB 3.36Å; E67-R71 PolarHBondContact O-N 2.88Å; E68-R71 PolarHBondContact O-N 3.28Å; E68-R71 IonicContact OE1-CZ 2.67Å; E68-R71 IonicContact OE1-NH1 2.89Å; E68-R71 PolarHBondContact OE1-NH1 2.95Å; E68-R71 IonicContact OE1-NH2 2.6Å; E68-R71 PolarHBondContact OE1-NH2 3.12Å; E68-R71 IonicContact OE2-CZ 3.54Å; E68-R71 IonicContact OE2-NH1 3.82Å; E68-R71 PolarHBondContact OE2-NH1 3.41Å; E68-R71 IonicContact OE2-NH2 3.62Å; E68-R71 PolarHBondContact OE2-NH2 3.04Å; R71-S73 VanDerWaalsContact C-N 3.34Å; R71-S73 PolarHBondContact O-N 3.13Å; R71-L74 PolarHBondContact O-N 3.24Å; R71-M75 HydrophobicContact CG-CG 4.38Å; R71-M75 VanDerWaalsContact O-CG 3.26Å; R71-M75 WeakPolarHBondContact O-CG 3.46Å; R71-M75 PolarHBondContact O-N 2.89Å
72Q95.1Very high94.7Very high112 Ų11291 Ų9152%0.52347%0.465SS..Hα-helixtrans-62.3-41.1175.4-7217815.200111.9E68 M75 S76E68-Q72 WeakPolarHBondContact O-CB 3.47Å; E68-Q72 VanDerWaalsContact O-CG 3.31Å; E68-Q72 WeakPolarHBondContact O-CG 3.5Å; E68-Q72 PolarHBondContact O-N 3.47Å; E68-Q72 WeakPolarHBondContact OE1-CG 3.43Å; E68-Q72 PolarHBondContact OE1-NE2 3.5Å; Q72-M75 PolarHBondContact O-N 2.99Å; Q72-S76 WeakPolarHBondContact O-CB 3.48Å; Q72-S76 PolarHBondContact O-N 3.27Å
73S96.9Very high94.8Very high80 Ų8093.7 Ų93.756%0.55948%0.477SS*.Hα-helixtrans-59.8-48174.1-174.20000112.1K69 R70 R71 M75 S76 A77K69-S73 WeakPolarHBondContact O-CB 3.41Å; K69-S73 PolarHBondContact O-N 3.12Å; R70-S73 WeakPolarHBondContact O-CB 3.23Å; R70-S73 PolarHBondContact O-N 3.09Å; R71-S73 VanDerWaalsContact C-N 3.34Å; R71-S73 PolarHBondContact O-N 3.13Å; S73-M75 PolarHBondContact O-N 2.99Å; S73-S76 WeakPolarHBondContact O-CB 3.49Å; S73-S76 PolarHBondContact O-N 3.47Å; S73-A77 WeakPolarHBondContact O-CB 3.43Å; S73-A77 PolarHBondContact O-N 3.36Å
74L97.8Very high94.9Very high115 Ų11591.7 Ų91.760%0.60248%0.476SS*.Hα-helixtrans-61.1-42.4176.6-70.2169.7000112.7R70 R71 S76 A77 A78R70-L74 HydrophobicContact CG-CD1 4.49Å; R70-L74 WeakPolarHBondContact O-CG 3.37Å; R70-L74 PolarHBondContact O-N 2.87Å; R71-L74 PolarHBondContact O-N 3.24Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-A77 PolarHBondContact O-N 3.28Å; L74-A78 WeakPolarHBondContact O-CB 3.38Å; L74-A78 PolarHBondContact O-N 3.04Å
75M97Very high95.1Very high135 Ų13592.9 Ų92.967%0.66548%0.479SS*.Hα-helixtrans-65.7-36.8176.1-69.4-67.1-68.900112.2R71 Q72 S73 R79R71-M75 HydrophobicContact CG-CG 4.38Å; R71-M75 VanDerWaalsContact O-CG 3.26Å; R71-M75 WeakPolarHBondContact O-CG 3.46Å; R71-M75 PolarHBondContact O-N 2.89Å; Q72-M75 PolarHBondContact O-N 2.99Å; S73-M75 PolarHBondContact O-N 2.99Å; M75-R79 WeakPolarHBondContact O-CB 3.24Å; M75-R79 PolarHBondContact O-N 3.31Å
76S97.8Very high95.2Very high78 Ų7897.2 Ų97.255%0.54549%0.491SS..Hα-helixtrans-67.5-44.5175.2-165.80000111.5Q72 S73 L74 R79 A80Q72-S76 WeakPolarHBondContact O-CB 3.48Å; Q72-S76 PolarHBondContact O-N 3.27Å; S73-S76 WeakPolarHBondContact O-CB 3.49Å; S73-S76 PolarHBondContact O-N 3.47Å; L74-S76 VanDerWaalsContact C-N 3.34Å; S76-R79 PolarHBondContact O-N 3.37Å; S76-A80 WeakPolarHBondContact O-CB 3.28Å; S76-A80 PolarHBondContact O-N 3.05Å
77A97.8Very high95.3Very high49 Ų49101.4 Ų101.441%0.40551%0.507SS..Hα-helixtrans-61.4-47.8175.800000112.1S73 L74 R79 A80 E81S73-A77 WeakPolarHBondContact O-CB 3.43Å; S73-A77 PolarHBondContact O-N 3.36Å; L74-A77 PolarHBondContact O-N 3.28Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 2.84Å; A77-A80 PolarHBondContact O-N 2.89Å; A77-A80 VanDerWaalsContact O-N 3.15Å; A77-E81 PolarHBondContact O-N 3.07Å
78A97.4Very high95.2Very high56 Ų56102.3 Ų102.346%0.46351%0.511SS..Hα-helixtrans-61.4-37176.700000112.5L74 L82L74-A78 WeakPolarHBondContact O-CB 3.38Å; L74-A78 PolarHBondContact O-N 3.04Å; A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 PolarHBondContact O-N 3.1Å; A78-L82 VanDerWaalsContact O-N 3.11Å
79R96.9Very high95.1Very high168 Ų168102.1 Ų102.163%0.63452%0.519SS*.Hα-helixtrans-65.7-45.8172.5-179.2-177.4175164.12.7111.6M75 S76 A77 L82 Q83M75-R79 WeakPolarHBondContact O-CB 3.24Å; M75-R79 PolarHBondContact O-N 3.31Å; S76-R79 PolarHBondContact O-N 3.37Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 2.84Å; R79-L82 PolarHBondContact O-N 2.92Å; R79-Q83 HydrophobicContact CG-CG 4.45Å; R79-Q83 WeakPolarHBondContact O-CB 3.34Å; R79-Q83 WeakPolarHBondContact O-CG 3.49Å; R79-Q83 PolarHBondContact O-N 3.44Å
80A96.1Very high94.5Very high53 Ų53100.7 Ų100.744%0.43851%0.513SS..Hα-helixtrans-64.5-38.7179.100000112S76 A77 Q83 S84S76-A80 WeakPolarHBondContact O-CB 3.28Å; S76-A80 PolarHBondContact O-N 3.05Å; A77-A80 PolarHBondContact O-N 2.89Å; A77-A80 VanDerWaalsContact O-N 3.15Å; A80-Q83 PolarHBondContact O-N 2.93Å; A80-S84 VanDerWaalsContact O-CB 3.23Å; A80-S84 WeakPolarHBondContact O-CB 3.18Å; A80-S84 PolarHBondContact O-N 3.28Å
81E96.7Very high93.7Very high108 Ų10896.1 Ų96.151%0.50550%0.504SS..Hα-helixtrans-60-48171-84.3-166.6-131.300112.4A77 S84 K85A77-E81 PolarHBondContact O-N 3.07Å; E81-S84 PolarHBondContact O-N 3.24Å; E81-K85 WeakPolarHBondContact O-CB 3.39Å; E81-K85 WeakPolarHBondContact O-CD 3.48Å; E81-K85 VanDerWaalsContact O-CG 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.48Å; E81-K85 PolarHBondContact O-N 2.78Å; E81-K85 IonicContact OE2-NZ 3.42Å; E81-K85 PolarHBondContact OE2-NZ 2.83Å
82L95.9Very high92.2Very high121 Ų12197 Ų9763%0.63451%0.508SS*.Hα-helixtrans-64.2-42.2179.3-177.3149.9000111.1A78 R79 Y86A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 PolarHBondContact O-N 3.1Å; A78-L82 VanDerWaalsContact O-N 3.11Å; R79-L82 PolarHBondContact O-N 2.92Å; L82-Y86 WeakPolarHBondContact O-CB 3.25Å; L82-Y86 PolarHBondContact O-N 2.94Å
83Q95.1Very high90.5Very high83 Ų8398.5 Ų98.539%0.38852%0.515SS..Hα-helixtrans-64.7-41.8174.6-72.4179-6500111.6R79 A80 Y86 H87R79-Q83 HydrophobicContact CG-CG 4.45Å; R79-Q83 WeakPolarHBondContact O-CB 3.34Å; R79-Q83 WeakPolarHBondContact O-CG 3.49Å; R79-Q83 PolarHBondContact O-N 3.44Å; A80-Q83 PolarHBondContact O-N 2.93Å; Q83-Y86 WeakPolarHBondContact O-CB 3.38Å; Q83-Y86 PolarHBondContact O-N 3.23Å; Q83-H87 PolarHBondContact O-N 3.39Å; Q83-H87 PolarHBondContact O-ND1 3.01Å
84S95Very high88.4Confident73 Ų73101.9 Ų101.951%0.5152%0.522SS..Hα-helixtrans-62.4-49176.4-176.20000111.5A80 E81 Y86 H87 Q88A80-S84 VanDerWaalsContact O-CB 3.23Å; A80-S84 WeakPolarHBondContact O-CB 3.18Å; A80-S84 PolarHBondContact O-N 3.28Å; E81-S84 PolarHBondContact O-N 3.24Å; S84-Y86 VanDerWaalsContact C-N 3.28Å; S84-Y86 PolarHBondContact O-N 3.07Å; S84-H87 PolarHBondContact O-N 3.15Å; S84-Q88 VanDerWaalsContact O-CB 3.26Å; S84-Q88 WeakPolarHBondContact O-CB 3.03Å; S84-Q88 PolarHBondContact O-N 3.48Å
85K94.9Very high86.1Confident121 Ų121103.6 Ų103.653%0.52653%0.527SS..Hα-helixtrans-58.4-37.3175.2-73.8162.3179.1159.30112.3E81 A89E81-K85 WeakPolarHBondContact O-CB 3.39Å; E81-K85 WeakPolarHBondContact O-CD 3.48Å; E81-K85 VanDerWaalsContact O-CG 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.48Å; E81-K85 PolarHBondContact O-N 2.78Å; E81-K85 IonicContact OE2-NZ 3.42Å; E81-K85 PolarHBondContact OE2-NZ 2.83Å; K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 2.61Å
86Y93.8Very high83.5Confident130 Ų130101.3 Ų101.351%0.5153%0.529SS..Hα-helixtrans-62.6-58.6172.7-176.2-82.6000111.3L82 Q83 S84 Q88 A89 F90L82-Y86 WeakPolarHBondContact O-CB 3.25Å; L82-Y86 PolarHBondContact O-N 2.94Å; Q83-Y86 WeakPolarHBondContact O-CB 3.38Å; Q83-Y86 PolarHBondContact O-N 3.23Å; S84-Y86 VanDerWaalsContact C-N 3.28Å; S84-Y86 PolarHBondContact O-N 3.07Å; Y86-Q88 PolarHBondContact O-N 3.17Å; Y86-A89 PolarHBondContact O-N 2.8Å; Y86-A89 VanDerWaalsContact O-N 3.09Å; Y86-F90 AromaticContact CD1-CD2 3.88Å; Y86-F90 HydrophobicContact CD1-CD2 3.88Å; Y86-F90 HydrophobicContact CD1-CE2 4.25Å; Y86-F90 HydrophobicContact CD2-CD2 4.2Å; Y86-F90 AromaticContact CD2-CE2 3.85Å; Y86-F90 HydrophobicContact CD2-CE2 3.85Å; Y86-F90 AromaticContact CE1-CD2 3.63Å; Y86-F90 HydrophobicContact CE1-CD2 3.63Å; Y86-F90 AromaticContact CE1-CE2 3.79Å; Y86-F90 HydrophobicContact CE1-CE2 3.79Å; Y86-F90 HydrophobicContact CE1-CG 4.34Å; Y86-F90 AromaticContact CE2-CD2 4Å; Y86-F90 HydrophobicContact CE2-CD2 4Å; Y86-F90 AromaticContact CE2-CE2 3.36Å; Y86-F90 HydrophobicContact CE2-CE2 3.36Å; Y86-F90 HydrophobicContact CE2-CZ 4.13Å; Y86-F90 HydrophobicContact CG-CD2 4.14Å; Y86-F90 HydrophobicContact CG-CE2 4.27Å; Y86-F90 AromaticContact CZ-CD2 3.69Å; Y86-F90 AromaticContact CZ-CE2 3.31Å; Y86-F90 AromaticContact CZ-CZ 3.91Å; Y86-F90 WeakPolarHBondContact O-CD2 3.24Å; Y86-F90 PolarHBondContact O-N 2.84Å
87H90.8Very high80.8Confident122 Ų122101 Ų10157%0.56553%0.531SS*.Hα-helixtrans-60.8-34-178.4-67.887.6000112.3Q83 S84 S91Q83-H87 PolarHBondContact O-N 3.39Å; Q83-H87 PolarHBondContact O-ND1 3.01Å; S84-H87 PolarHBondContact O-N 3.15Å; H87-S91 WeakPolarHBondContact O-CB 3.39Å; H87-S91 PolarHBondContact O-N 2.88Å; H87-S91 PolarHBondContact O-OG 3.44Å
88Q91.3Very high78.2Confident91 Ų91103.9 Ų103.943%0.42555%0.546SS..Hα-helixtrans-65.2-45.6173.3-177.5176.527.600112.6S84 Y86 F90 S91 Y92S84-Q88 VanDerWaalsContact O-CB 3.26Å; S84-Q88 WeakPolarHBondContact O-CB 3.03Å; S84-Q88 PolarHBondContact O-N 3.48Å; Y86-Q88 PolarHBondContact O-N 3.17Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 3.21Å; Q88-S91 PolarHBondContact O-N 2.83Å; Q88-S91 PolarHBondContact O-OG 2.89Å; Q88-S91 VanDerWaalsContact O-OG 3.1Å; Q88-Y92 HydrophobicContact CG-CD2 4Å; Q88-Y92 HydrophobicContact CG-CE2 3.38Å; Q88-Y92 PolarHBondContact NE2-OH 3.34Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.42Å; Q88-Y92 PolarHBondContact O-N 3.37Å
89A88.9Confident75.6Confident54 Ų54110.8 Ų110.845%0.44657%0.566SS.*Hα-helixtrans-63.9-40.3178.800000112K85 Y86K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 2.61Å; Y86-A89 PolarHBondContact O-N 2.8Å; Y86-A89 VanDerWaalsContact O-N 3.09Å
90F79.2Confident72.9Confident89 Ų89108.7 Ų108.739%0.3957%0.572SS.*Hα-helixtrans-73.6-36.7177.3-80.9-88.7000112.9Y86 Q88 Y92 Q93 H94Y86-F90 AromaticContact CD1-CD2 3.88Å; Y86-F90 HydrophobicContact CD1-CD2 3.88Å; Y86-F90 HydrophobicContact CD1-CE2 4.25Å; Y86-F90 HydrophobicContact CD2-CD2 4.2Å; Y86-F90 AromaticContact CD2-CE2 3.85Å; Y86-F90 HydrophobicContact CD2-CE2 3.85Å; Y86-F90 AromaticContact CE1-CD2 3.63Å; Y86-F90 HydrophobicContact CE1-CD2 3.63Å; Y86-F90 AromaticContact CE1-CE2 3.79Å; Y86-F90 HydrophobicContact CE1-CE2 3.79Å; Y86-F90 HydrophobicContact CE1-CG 4.34Å; Y86-F90 AromaticContact CE2-CD2 4Å; Y86-F90 HydrophobicContact CE2-CD2 4Å; Y86-F90 AromaticContact CE2-CE2 3.36Å; Y86-F90 HydrophobicContact CE2-CE2 3.36Å; Y86-F90 HydrophobicContact CE2-CZ 4.13Å; Y86-F90 HydrophobicContact CG-CD2 4.14Å; Y86-F90 HydrophobicContact CG-CE2 4.27Å; Y86-F90 AromaticContact CZ-CD2 3.69Å; Y86-F90 AromaticContact CZ-CE2 3.31Å; Y86-F90 AromaticContact CZ-CZ 3.91Å; Y86-F90 WeakPolarHBondContact O-CD2 3.24Å; Y86-F90 PolarHBondContact O-N 2.84Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 3.21Å; F90-Y92 VanDerWaalsContact C-N 3.35Å; F90-Y92 PolarHBondContact O-N 2.94Å; F90-Q93 PolarHBondContact O-N 2.98Å; F90-H94 PolarHBondContact O-CD2 2.67Å
91S77Confident70.3Confident52 Ų52111.9 Ų111.936%0.36459%0.588SS.*Hα-helixtrans-65.6-35.8178.467.90000112.8H87 Q88 Q93 H94 H95H87-S91 WeakPolarHBondContact O-CB 3.39Å; H87-S91 PolarHBondContact O-N 2.88Å; H87-S91 PolarHBondContact O-OG 3.44Å; Q88-S91 PolarHBondContact O-N 2.83Å; Q88-S91 PolarHBondContact O-OG 2.89Å; Q88-S91 VanDerWaalsContact O-OG 3.1Å; S91-Q93 VanDerWaalsContact C-N 3.31Å; S91-Q93 PolarHBondContact O-N 3.41Å; S91-H94 PolarHBondContact O-N 3.21Å; S91-H95 PolarHBondContact O-CD2 2.7Å; S91-H95 VanDerWaalsContact O-CD2 3.26Å; S91-H95 PolarHBondContact O-N 3.04Å
92Y64.8Low67.6Low147 Ų147112 Ų11258%0.57661%0.607SS**Hα-helixtrans-65.6-30.8173.8-68.3-48.8000113.3Q88 F90 H94 H95 A96Q88-Y92 HydrophobicContact CG-CD2 4Å; Q88-Y92 HydrophobicContact CG-CE2 3.38Å; Q88-Y92 PolarHBondContact NE2-OH 3.34Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.42Å; Q88-Y92 PolarHBondContact O-N 3.37Å; F90-Y92 VanDerWaalsContact C-N 3.35Å; F90-Y92 PolarHBondContact O-N 2.94Å; Y92-H94 VanDerWaalsContact C-N 3.28Å; Y92-H94 PolarHBondContact O-N 2.99Å; Y92-H95 PolarHBondContact O-N 3.13Å; Y92-A96 WeakPolarHBondContact O-CB 3.31Å; Y92-A96 PolarHBondContact O-N 2.6Å
93Q59.9Low64.5Low144 Ų144110.4 Ų110.467%0.67361%0.612SS**Hα-helixtrans-65.8-29.3176.2-71.4-175.3-11.500113F90 S91F90-Q93 PolarHBondContact O-N 2.98Å; S91-Q93 VanDerWaalsContact C-N 3.31Å; S91-Q93 PolarHBondContact O-N 3.41Å
94H53Low61.7Low150 Ų150111.9 Ų111.969%0.69463%0.631SS**Hα-helixtrans-86.3-10.1178-70.6-73.4000114.5F90 S91 Y92F90-H94 PolarHBondContact O-CD2 2.67Å; S91-H94 PolarHBondContact O-N 3.21Å; Y92-H94 VanDerWaalsContact C-N 3.28Å; Y92-H94 PolarHBondContact O-N 2.99Å
95H48.6Very low58.7Low152 Ų152120.5 Ų120.570%0.70465%0.652SS**Hα-helixtrans-116.5-5.2-177.2-66-48.4000114.9S91 Y92 A97S91-H95 PolarHBondContact O-CD2 2.7Å; S91-H95 VanDerWaalsContact O-CD2 3.26Å; S91-H95 PolarHBondContact O-N 3.04Å; Y92-H95 PolarHBondContact O-N 3.13Å; H95-A97 PolarHBondContact O-N 2.98Å
96A42.4Very low56.1Low86 Ų86122.2 Ų122.271%0.71167%0.667SS**  trans-75.324.7178.600000115Y92Y92-A96 WeakPolarHBondContact O-CB 3.31Å; Y92-A96 PolarHBondContact O-N 2.6Å
97A40.4Very low53.4Low72 Ų72122.3 Ų122.360%0.59568%0.676SS**  trans-126.482.9-179.500000111H95 F99H95-A97 PolarHBondContact O-N 2.98Å; A97-F99 PolarHBondContact O-N 3.01Å
98P44.8Very low51Low109 Ų109124.3 Ų124.371%0.70869%0.686SS**  trans-70.7109.7173.129-32.5000110T100P98-T100 PolarHBondContact O-N 3.29Å
99F41.1Very low48.3Very low202 Ų202127.1 Ų127.189%0.88670%0.699SS**  trans-64.898.8165.8-82.9-94.3000109.4A97 P101A97-F99 PolarHBondContact O-N 3.01Å; F99-P101 WeakPolarHBondContact O-CD 3.37Å
100T41.1Very low45.8Very low123 Ų123129.9 Ų129.976%0.75571%0.705SS**  trans-91.8101.3169.752.80000109.8P98P98-T100 PolarHBondContact O-N 3.29Å
101P42.2Very low43.6Very low120 Ų120135.2 Ų135.278%0.77973%0.728SS**  trans-66.8139.4169.129.5-34.5000109.7F99F99-P101 WeakPolarHBondContact O-CD 3.37Å
102A38.7Very low41.3Very low110 Ų110136.4 Ų136.491%0.90975%0.748SS**  trans-71131.3-174.500000112.4
103A32.5Very low39.7Very low88 Ų88133.6 Ų133.673%0.72776%0.764SS**  trans-149.699.9170.900000112.1
104S35.6Very low38.6Very low115 Ų115132.1 Ų132.180%0.80478%0.777SS**  trans26.9122.1147.660.60000121.1
105R32.4Very low37.6Very low253 Ų253128.8 Ų128.896%0.95578%0.783SS**  -155.5143.7129.4-109.7164.1-169.7-89.8-2110.6
106L39.7Very low36.8Very low158 Ų158129.5 Ų129.583%0.82779%0.792SS**  trans-108.6148.9178.8-72.6166.8000110.1
107N36.8Very low36.3Very low131 Ų131128.8 Ų128.870%0.70179%0.793SS**  trans57169.5162.8-56.710.5000116.7
108E40.5Very low36Very low164 Ų164131.5 Ų131.577%0.76680%0.802SS**  cis-156.1157.612.7-121.2122.3-127.200106.7
109E35.7Very low35.5Very low151 Ų151134.2 Ų134.271%0.70681%0.805SS**  cis-168.9176.1-12.6-145.2-93.692.900109.4
110I35.2Very low34.9Very low112 Ų112131.4 Ų131.457%0.57480%0.799SS**  trans59.9130.8164.813.4-173.1000125
111K33Very low34.4Very low201 Ų201132.5 Ų132.587%0.87481%0.806SS**  trans66.5140.2145.9-83.8157.2-173.2166.30120
112G29.3Very low34Very low77 Ų77131.7 Ų131.779%0.79480%0.803SS**  cis151.6159.5-7.400000113.9
113G30.7Very low33.7Very low87 Ų87134.6 Ų134.690%0.89780%0.803SS**  trans114.2126.917400000113.8
114A37.4Very low33.8Very low114 Ų114137.7 Ų137.794%0.94281%0.807SS**  trans-90.5153.3174.600000111.3
115G31.6Very low33.8Very low80 Ų80142 Ų14283%0.82581%0.811SS**  trans-161.4107175.700000111.7
116D31Very low34.5Very low167 Ų167139.2 Ų139.289%0.89381%0.809SS**  trans-75.7153.8162.7175.436.1000109.9
117G32.1Very low34.3Very low71 Ų71140.2 Ų140.273%0.73281%0.809SS**  trans159.3107.5-179.600000114.2
118T34.1Very low34.2Very low128 Ų128141.1 Ų141.179%0.78581%0.814SS**  trans-92.5155.7177.3-480000111.9
119Q34.1Very low33.8Very low166 Ų166142.3 Ų142.378%0.77682%0.82SS**  trans110.2112.1156.4-59.2-167.9-37.100119.2
120D28.7Very low33.5Very low143 Ų143140.5 Ų140.577%0.76582%0.823SS**  48.7111.7129-52.3-11.1000121.8
121T31.6Very low33.4Very low147 Ų147141.2 Ų141.290%0.90283%0.832SS**  -143.2137.312245.50000111.6
122S32.6Very low33.6Very low102 Ų102136.4 Ų136.471%0.71382%0.824SS**  trans-66.2142.1174.71690000113.6
123L33.3Very low33.7Very low171 Ų171139.9 Ų139.990%0.89583%0.83SS**  trans-150.5136.3135.4-83.7-168.7000111.2
124D34.4Very low34.1Very low153 Ų153140.2 Ų140.282%0.81882%0.824SS**  trans-67.3144176.9-77-72.4000114.3
125K35.8Very low33.8Very low206 Ų206144.4 Ų144.490%0.89682%0.824SS**  trans-158139.2142.3-116.6163.6-171.81740113.1
126Q46.3Very low34.3Very low194 Ų194147 Ų14791%0.90782%0.824SS**  trans-68.6130.8178.8-60.6162-76.700111.1
127Q35.3Very low34.3Very low179 Ų179143.9 Ų143.984%0.83682%0.821SS**  trans-142.3128.2159.4-163.194.232.400110.7
128N35.8Very low34.3Very low151 Ų151144.8 Ų144.881%0.80782%0.822SS**  trans-45.7128.3-178.2-50-29.6000114.1C130N128-C130 PolarHBondContact O-N 3.32Å
129Q32.7Very low34.8Very low188 Ų188145.2 Ų145.288%0.87982%0.824SS**  trans-81.7116.7169.1-171.317149.200110.4V131Q129-V131 HydrophobicContact CG-CG2 4.33Å
130C28.9Very low35.2Very low113 Ų113145 Ų14576%0.76483%0.828SS**  trans-121.1126165.6-179.30000107.7N128N128-C130 PolarHBondContact O-N 3.32Å
131V32.6Very low36.2Very low127 Ų127142 Ų14277%0.7782%0.819SS**  trans-137.8131.5168.6-174.90000108.2Q129Q129-V131 HydrophobicContact CG-CG2 4.33Å
132S36.7Very low36.7Very low100 Ų100139.9 Ų139.970%0.69980%0.802SS**  trans-81.7154.6-174.9-48.10000112.9
133T31.1Very low37.5Very low151 Ų151141.8 Ų141.893%0.92680%0.799SS**  trans-130.6123.1135.531.70000108
134A39.2Very low38.3Very low93 Ų93137.8 Ų137.877%0.76978%0.782SS**  trans-115.1145.8170.200000107.9
135E32.2Very low39.6Very low202 Ų202136.2 Ų136.294%0.94477%0.768SS**  trans-142.7143163.8-137.7170.8-15100109.2
136T42.1Very low41Very low136 Ų136132.6 Ų132.683%0.83475%0.754SS**  trans-115.2137.4-160.843.80000112.4
137A31.1Very low41.9Very low101 Ų101126.5 Ų126.584%0.83573%0.733SS**  trans-133.594.7158.200000106.8
138A32.4Very low43.6Very low90 Ų90123.2 Ų123.274%0.74472%0.721SS**  94.2100.884.400000110
139V44.5Very low45.6Very low136 Ų136121.5 Ų121.582%0.82471%0.711SS**  trans-66.9135.5-177.4176.80000110.7
140N41.3Very low47.6Very low161 Ų161117 Ų11786%0.86170%0.697SS**  trans-130.4130.4148.6-84.5-70.7000108.1
141S49.3Very low49.7Very low81 Ų81115 Ų11557%0.56668%0.681SS**  trans-79.6139.2-171.153.70000112.8
142D43.1Very low51.7Low102 Ų102111.3 Ų111.355%0.54566%0.663SS.*  trans-159.477.8162.1-125.6-3.9000108.9T144 K145D142-T144 PolarHBondContact O-N 3.33Å; D142-K145 IonicContact OD2-NZ 3.5Å; D142-K145 PolarHBondContact OD2-NZ 3.41Å
143H50.5Low53.3Low143 Ų143112.3 Ų112.366%0.66266%0.66SS**THydrogen-bonded Turntrans-7437.9-170.6-59.8-78.5000114.2
144T49.3Very low55Low87 Ų87110.7 Ų110.753%0.53465%0.646SS.*THydrogen-bonded Turntrans-122.3-12.5-172.451.10000113.3D142D142-T144 PolarHBondContact O-N 3.33Å
145K62.1Low56.4Low119 Ų119116 Ų11652%0.51765%0.646SS.*Hα-helixtrans-99-28-173.8-65.3163.1-165.4154.20113.2D142 L149D142-K145 IonicContact OD2-NZ 3.5Å; D142-K145 PolarHBondContact OD2-NZ 3.41Å; K145-L149 WeakPolarHBondContact O-CB 3.43Å; K145-L149 VanDerWaalsContact O-CG 3.23Å; K145-L149 WeakPolarHBondContact O-CG 3.34Å; K145-L149 PolarHBondContact O-N 2.75Å
146E64.4Low57.8Low131 Ų131111.8 Ų111.861%0.61263%0.634SS**Hα-helixtrans-68.1-41.2176.662.1-169.4-156.700112.1L149 V150E146-L149 PolarHBondContact O-N 3.45Å; E146-V150 WeakPolarHBondContact O-CG2 3.32Å; E146-V150 PolarHBondContact O-N 3.01Å
147S64.8Low58.6Low65 Ų65109.5 Ų109.546%0.45562%0.62SS.*Hα-helixtrans-68.4-39.7175.749.20000112.5V150 V151S147-V150 PolarHBondContact O-N 3.1Å; S147-V151 WeakPolarHBondContact O-CB 3.39Å; S147-V151 VanDerWaalsContact O-CG2 3.3Å; S147-V151 WeakPolarHBondContact O-CG2 3.26Å; S147-V151 PolarHBondContact O-N 2.76Å
148D70.7Confident59Low111 Ų111112.7 Ų112.759%0.59462%0.621SS**Hα-helixtrans-64.9-39.9174.7-167.347.8000111.7V151 A152D148-V151 PolarHBondContact O-N 2.85Å; D148-A152 VanDerWaalsContact O-CB 3.23Å; D148-A152 WeakPolarHBondContact O-CB 3.42Å; D148-A152 PolarHBondContact O-N 2.84Å
149L78.3Confident59.4Low114 Ų114117.1 Ų117.160%0.59762%0.624SS**Hα-helixtrans-65.8-40.9173.3-74.1169.8000112.8K145 E146 A152 L153K145-L149 WeakPolarHBondContact O-CB 3.43Å; K145-L149 VanDerWaalsContact O-CG 3.23Å; K145-L149 WeakPolarHBondContact O-CG 3.34Å; K145-L149 PolarHBondContact O-N 2.75Å; E146-L149 PolarHBondContact O-N 3.45Å; L149-A152 PolarHBondContact O-N 2.89Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 3.41Å
150V75.4Confident59.6Low95 Ų95120.1 Ų120.158%0.57663%0.63SS**Hα-helixtrans-63.1-47174168.50000110.5E146 S147 A152 L153 D154E146-V150 WeakPolarHBondContact O-CG2 3.32Å; E146-V150 PolarHBondContact O-N 3.01Å; S147-V150 PolarHBondContact O-N 3.1Å; V150-A152 VanDerWaalsContact C-N 3.32Å; V150-A152 PolarHBondContact O-N 3.26Å; V150-L153 PolarHBondContact O-N 3.17Å; V150-D154 WeakPolarHBondContact O-CB 3.42Å; V150-D154 PolarHBondContact O-N 2.88Å
151V73.1Confident59.4Low71 Ų71115.9 Ų115.943%0.4362%0.617SS.*Hα-helixtrans-64.5-34.4177.2169.60000112.1S147 D148 R155S147-V151 WeakPolarHBondContact O-CB 3.39Å; S147-V151 VanDerWaalsContact O-CG2 3.3Å; S147-V151 WeakPolarHBondContact O-CG2 3.26Å; S147-V151 PolarHBondContact O-N 2.76Å; D148-V151 PolarHBondContact O-N 2.85Å; V151-R155 WeakPolarHBondContact O-CB 3.41Å; V151-R155 WeakPolarHBondContact O-CD 3.4Å; V151-R155 WeakPolarHBondContact O-CG 3.24Å; V151-R155 PolarHBondContact O-N 3.13Å; V151-R155 VanDerWaalsContact O-N 3.11Å
152A74.4Confident59.2Low48 Ų48122.1 Ų122.140%0.39763%0.628SS.*Hα-helixtrans-67.7-40.4174.600000112.2D148 L149 V150 V156D148-A152 VanDerWaalsContact O-CB 3.23Å; D148-A152 WeakPolarHBondContact O-CB 3.42Å; D148-A152 PolarHBondContact O-N 2.84Å; L149-A152 PolarHBondContact O-N 2.89Å; V150-A152 VanDerWaalsContact C-N 3.32Å; V150-A152 PolarHBondContact O-N 3.26Å; A152-V156 WeakPolarHBondContact O-CG2 3.48Å; A152-V156 PolarHBondContact O-N 3.32Å
153L69.8Low59.2Low121 Ų121122.9 Ų122.963%0.63464%0.639SS**Hα-helixtrans-68.7-42.5175.4-71.9169.6000111.8L149 V150 R155 V156 T157L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 3.41Å; V150-L153 PolarHBondContact O-N 3.17Å; L153-R155 VanDerWaalsContact C-N 3.25Å; L153-R155 PolarHBondContact O-N 3.12Å; L153-V156 CarbonylContact O-C 3.6Å; L153-V156 WeakPolarHBondContact O-CA 3.41Å; L153-V156 WeakPolarHBondContact O-CB 3.41Å; L153-V156 PolarHBondContact O-N 3.4Å; L153-T157 PolarHBondContact O-N 3.39Å; L153-T157 PolarHBondContact O-OG1 2.82Å
154D66.8Low58.9Low118 Ų118121.4 Ų121.463%0.63164%0.636SS**Hα-helixtrans-65.3-30.6179.6-147.235.5000111.9V150 V156 T157V150-D154 WeakPolarHBondContact O-CB 3.42Å; V150-D154 PolarHBondContact O-N 2.88Å; D154-V156 VanDerWaalsContact C-N 3.32Å; D154-T157 WeakPolarHBondContact O-CB 3.39Å; D154-T157 PolarHBondContact O-N 3.4Å
155R68.3Low58.8Low205 Ų205126.6 Ų126.677%0.77465%0.654SS**THydrogen-bonded Turntrans-72.7-18.2169.7-73.8169.2178.4-127.21114.7V151 L153V151-R155 WeakPolarHBondContact O-CB 3.41Å; V151-R155 WeakPolarHBondContact O-CD 3.4Å; V151-R155 WeakPolarHBondContact O-CG 3.24Å; V151-R155 PolarHBondContact O-N 3.13Å; V151-R155 VanDerWaalsContact O-N 3.11Å; L153-R155 VanDerWaalsContact C-N 3.25Å; L153-R155 PolarHBondContact O-N 3.12Å
156V62Low57.8Low113 Ų113128.7 Ų128.769%0.68567%0.67SS**THydrogen-bonded Turntrans-90.4-19.2174.6170.20000111.1A152 L153 D154 L158A152-V156 WeakPolarHBondContact O-CG2 3.48Å; A152-V156 PolarHBondContact O-N 3.32Å; L153-V156 CarbonylContact O-C 3.6Å; L153-V156 WeakPolarHBondContact O-CA 3.41Å; L153-V156 WeakPolarHBondContact O-CB 3.41Å; L153-V156 PolarHBondContact O-N 3.4Å; D154-V156 VanDerWaalsContact C-N 3.32Å; V156-L158 PolarHBondContact O-N 2.94Å
157T58.2Low57.1Low88 Ų88128.7 Ų128.754%0.5467%0.674SS.*SBendtrans-64.695.6166.1-50.80000109.9L153 D154 F159L153-T157 PolarHBondContact O-N 3.39Å; L153-T157 PolarHBondContact O-OG1 2.82Å; D154-T157 WeakPolarHBondContact O-CB 3.39Å; D154-T157 PolarHBondContact O-N 3.4Å; T157-F159 PolarHBondContact O-N 3.44Å
158L40.2Very low56.3Low167 Ų167134.6 Ų134.687%0.87469%0.694SS**  trans-63.4103.7177-70.8174.7000110.6V156 E160V156-L158 PolarHBondContact O-N 2.94Å; L158-E160 PolarHBondContact O-N 2.73Å
159F41.7Very low55.2Low183 Ų183138.1 Ų138.180%0.80371%0.707SS**  trans-64.4115169.2-114.6-83.8000109.9T157 A161T157-F159 PolarHBondContact O-N 3.44Å; F159-A161 HydrophobicContact CB-CB 4.32Å; F159-A161 HydrophobicContact CD1-CB 4.24Å; F159-A161 PolarHBondContact O-N 3.12Å
160E48.1Very low53.4Low200 Ų200139.8 Ų139.894%0.93572%0.716SS**  trans-75.966.4162.3-165.7169.917200109.2L158L158-E160 PolarHBondContact O-N 2.73Å
161A37.2Very low52.1Low72 Ų72141.8 Ų141.860%0.59572%0.724SS**  trans-87.4143.8176.100000110.7F159F159-A161 HydrophobicContact CB-CB 4.32Å; F159-A161 HydrophobicContact CD1-CB 4.24Å; F159-A161 PolarHBondContact O-N 3.12Å
162R44.8Very low51.1Low211 Ų211143.3 Ų143.380%0.79674%0.737SS**  trans-67.5149.5-179.9-73.1-159.5-69135.8-5111.7D164R162-D164 PolarHBondContact O-N 3.42Å
163P42.9Very low50.2Low119 Ų119150.5 Ų150.577%0.77376%0.76SS**SBendtrans-8218.6-161.935-39.5000115.8
164D43.7Very low49.1Very low112 Ų112147.4 Ų147.460%0.59975%0.751SS**  trans-103.3158-175.7-61-57.9000111.5R162R162-D164 PolarHBondContact O-N 3.42Å
165E47.9Very low48.6Very low196 Ų196151.1 Ų151.192%0.91676%0.762SS**SBendtrans78.2-0.6171-52.6-169.6164.100120.7
166L41.8Very low48Very low163 Ų163148.7 Ų148.785%0.85376%0.764SS**  trans-101.425.7177.4-73.5-178000117.2
167N48.7Very low47.9Very low131 Ų131147.1 Ų147.170%0.70175%0.752SS**SBendtrans-103.9-12.6-172.1-88.8-54000117.9N171N167-N171 PolarHBondContact O-ND2 3.43Å
168E47.8Very low48Very low189 Ų189153 Ų15388%0.88377%0.766SS**SBendtrans-93.1-22.2-168.2-66.5-152.7127.600116.7
169Q47.3Very low48.8Very low184 Ų184155.1 Ų155.186%0.8677%0.768SS**SBendtrans-98.5-10-166.7-64.6-167.92.500116.9
170L40.8Very low49.5Very low149 Ų149152.1 Ų152.178%0.7876%0.76SS**SBendtrans-95-3.7-173.5-66.2179.4000115.8S172L170-S172 PolarHBondContact O-N 2.69Å
171N49.5Very low49.7Very low138 Ų138146.6 Ų146.674%0.73874%0.74SS**THydrogen-bonded Turntrans-86.62.4-166.8-76.5-54.2000116.5N167N167-N171 PolarHBondContact O-ND2 3.43Å
172S52Low50.8Low103 Ų103152.6 Ų152.672%0.7275%0.753SS**THydrogen-bonded Turntrans-97.5-17.1-171.963.30000116.4L170L170-S172 PolarHBondContact O-N 2.69Å
173K54.1Low51.6Low199 Ų199148 Ų14887%0.86574%0.74SS**SBendtrans-129.619.6-172.3-69.7-163.7175.4-174.50116.4
174A47.2Very low52.5Low55 Ų55147.6 Ų147.646%0.45574%0.737SS.*  trans-100.820.3-172.800000116.1
175K55.5Low53.3Low196 Ų196147.1 Ų147.185%0.85275%0.749SS**THydrogen-bonded Turntrans-79.6-26.7-168.7-80.8-178.2175.7175.60116.4
176D57.5Low54.4Low154 Ų154145.2 Ų145.282%0.82474%0.738SS**THydrogen-bonded Turntrans-100.819.9-170.6-56.1-49.1000114.3Y178D176-Y178 PolarHBondContact O-N 2.99Å
177N58.7Low56Low81 Ų81143.1 Ų143.143%0.43372%0.722SS.*  trans-80.596.3176.7-77.2-55.7000111.5F179 L180N177-F179 PolarHBondContact O-N 3.44Å; N177-F179 VanDerWaalsContact O-N 3.07Å; N177-L180 HydrophobicContact CB-CB 3.85Å; N177-L180 HydrophobicContact CB-CD1 3.91Å; N177-L180 HydrophobicContact CB-CG 4.29Å; N177-L180 PolarHBondContact O-N 2.85Å
178Y60.1Low57.6Low210 Ų210140 Ų14082%0.82471%0.709SS**G310 helixtrans-53.3-29.5177.2-118.4-93.2000114.1D176 V181D176-Y178 PolarHBondContact O-N 2.99Å; Y178-V181 WeakPolarHBondContact O-CG2 3.33Å
179F56.8Low59.2Low213 Ų213138 Ų13893%0.93470%0.699SS**G310 helixtrans-79.3-16.2176.5-66.7-83000114.4N177N177-F179 PolarHBondContact O-N 3.44Å; N177-F179 VanDerWaalsContact O-N 3.07Å
180L56.6Low61Low120 Ų120136.3 Ų136.363%0.62869%0.686SS**G310 helixtrans-101.613.2178.5-80.5164.8000113.1N177 K182N177-L180 HydrophobicContact CB-CB 3.85Å; N177-L180 HydrophobicContact CB-CD1 3.91Å; N177-L180 HydrophobicContact CB-CG 4.29Å; N177-L180 PolarHBondContact O-N 2.85Å; L180-K182 PolarHBondContact O-N 3.42Å
181V51.9Low63.2Low84 Ų84132.7 Ų132.751%0.50967%0.666SS.*  trans-61.497.9167.3177.50000108.6Y178 Q183Y178-V181 WeakPolarHBondContact O-CG2 3.33Å; V181-Q183 VanDerWaalsContact C-N 3.26Å; V181-Q183 PolarHBondContact O-N 3.36Å
182K61.4Low64.8Low198 Ų198128.6 Ų128.686%0.86165%0.646SS**  trans-61.788.1173-69.5-174.2180-179.20109.2L180L180-K182 PolarHBondContact O-N 3.42Å
183Q60.5Low66.4Low114 Ų114126.8 Ų126.853%0.53363%0.63SS.*  trans-53.6124.2174.1-66.4-78.3-65.200108V181 A185V181-Q183 VanDerWaalsContact C-N 3.26Å; V181-Q183 PolarHBondContact O-N 3.36Å; Q183-A185 PolarHBondContact O-N 3.11Å
184P62.4Low67.8Low110 Ų110121.4 Ų121.471%0.71461%0.611SS**  trans-58.6140.4176.825.3-33.8000109.1K186P184-K186 PolarHBondContact O-N 3.05Å
185A61.2Low69.5Low102 Ų102121.2 Ų121.284%0.84360%0.6SS**  trans-49.4105.2-167.800000111.7Q183 K187Q183-A185 PolarHBondContact O-N 3.11Å; A185-K187 PolarHBondContact O-N 3.46Å; A185-K187 VanDerWaalsContact O-N 3.12Å
186K70.1Confident70.6Confident156 Ų156118.4 Ų118.468%0.67859%0.588SS**  trans-68.9114.3-175.4-69.6179.3-179.6171.40108.1P184P184-K186 PolarHBondContact O-N 3.05Å
187K76.7Confident71.2Confident119 Ų119114.8 Ų114.852%0.51757%0.572SS.*  trans-47136.1171.7-68.9179.9176.8176.40109A185 M191 T192 E195A185-K187 PolarHBondContact O-N 3.46Å; A185-K187 VanDerWaalsContact O-N 3.12Å; K187-M191 HydrophobicContact CB-CB 4.13Å; K187-T192 PolarHBondContact O-OG1 3.49Å; K187-E195 WeakPolarHBondContact CD-OE1 3.39Å; K187-E195 IonicContact NZ-OE1 2.94Å; K187-E195 PolarHBondContact NZ-OE1 2.96Å; K187-E195 IonicContact NZ-OE2 3.43Å
188P82.2Confident71.8Confident67 Ų67118.2 Ų118.244%0.43559%0.585SS.*  trans-59145.4-177.126.6-35.9000110Y190 M191 T192P188-Y190 HydrophobicContact CB-CD1 3.86Å; P188-Y190 HydrophobicContact CB-CE1 3.52Å; P188-Y190 HydrophobicContact CG-CD1 4.05Å; P188-Y190 HydrophobicContact CG-CE1 3.37Å; P188-Y190 PolarHBondContact O-N 3.33Å; P188-M191 HydrophobicContact CG-CG 4.28Å; P188-M191 WeakPolarHBondContact O-CB 3.35Å; P188-M191 PolarHBondContact O-N 3.47Å; P188-T192 PolarHBondContact O-N 3.3Å
189H81.3Confident72.4Confident147 Ų147117.7 Ų117.768%0.68158%0.582SS**Hα-helixtrans-51.8-35.3-163.5-172.585.3000114.3M191 T192 V193H189-M191 PolarHBondContact O-N 2.8Å; H189-T192 WeakPolarHBondContact O-CB 3.37Å; H189-T192 PolarHBondContact O-N 2.93Å; H189-T192 VanDerWaalsContact O-N 3.15Å; H189-V193 WeakPolarHBondContact O-CG2 3.36Å; H189-V193 PolarHBondContact O-N 2.9Å
190Y84.3Confident72.6Confident148 Ų148110.9 Ų110.958%0.5856%0.561SS**Hα-helixtrans-62.7-35.8177.572.5-92000113.5P188 V193 L194P188-Y190 HydrophobicContact CB-CD1 3.86Å; P188-Y190 HydrophobicContact CB-CE1 3.52Å; P188-Y190 HydrophobicContact CG-CD1 4.05Å; P188-Y190 HydrophobicContact CG-CE1 3.37Å; P188-Y190 PolarHBondContact O-N 3.33Å; Y190-V193 PolarHBondContact O-N 3.44Å; Y190-L194 HydrophobicContact CD2-CD1 4.27Å; Y190-L194 WeakPolarHBondContact O-CB 3.2Å; Y190-L194 WeakPolarHBondContact O-CG 3.39Å; Y190-L194 PolarHBondContact O-N 3.27Å
191M87.4Confident72.9Confident72 Ų72109.7 Ų109.736%0.35557%0.568SS.*Hα-helixtrans-65.6-41.6172-83-75.2109.400111K187 P188 H189 V193 L194 E195K187-M191 HydrophobicContact CB-CB 4.13Å; P188-M191 HydrophobicContact CG-CG 4.28Å; P188-M191 WeakPolarHBondContact O-CB 3.35Å; P188-M191 PolarHBondContact O-N 3.47Å; H189-M191 PolarHBondContact O-N 2.8Å; M191-V193 VanDerWaalsContact C-N 3.26Å; M191-V193 PolarHBondContact O-N 3.29Å; M191-L194 HydrophobicContact CE-CD1 3.67Å; M191-L194 PolarHBondContact O-N 2.61Å; M191-E195 PolarHBondContact O-N 2.99Å
192T83.6Confident73.3Confident53 Ų53108.7 Ų108.733%0.32557%0.569SS.*Hα-helixtrans-67.3-27.9177.2-29.50000112.4K187 P188 H189 K196K187-T192 PolarHBondContact O-OG1 3.49Å; P188-T192 PolarHBondContact O-N 3.3Å; H189-T192 WeakPolarHBondContact O-CB 3.37Å; H189-T192 PolarHBondContact O-N 2.93Å; H189-T192 VanDerWaalsContact O-N 3.15Å; T192-K196 WeakPolarHBondContact O-CB 3.37Å; T192-K196 VanDerWaalsContact O-CD 3.31Å; T192-K196 WeakPolarHBondContact O-CD 3.26Å; T192-K196 WeakPolarHBondContact O-CG 3.38Å; T192-K196 PolarHBondContact O-N 3.06Å
193V84.2Confident73.3Confident65 Ų65104.8 Ų104.839%0.39456%0.563SS.*Hα-helixtrans-73.1-46.1171170.20000110.6H189 Y190 M191 K196 T197H189-V193 WeakPolarHBondContact O-CG2 3.36Å; H189-V193 PolarHBondContact O-N 2.9Å; Y190-V193 PolarHBondContact O-N 3.44Å; M191-V193 VanDerWaalsContact C-N 3.26Å; M191-V193 PolarHBondContact O-N 3.29Å; V193-K196 WeakPolarHBondContact O-CB 3.4Å; V193-K196 PolarHBondContact O-N 3.45Å; V193-T197 PolarHBondContact O-N 3.46Å; V193-T197 PolarHBondContact O-OG1 3Å
194L84.5Confident73.5Confident86 Ų86109.4 Ų109.445%0.4558%0.582SS.*Hα-helixtrans-61.8-48.7179.5-77.2161.7000112.3Y190 M191 K196 T197 E198Y190-L194 HydrophobicContact CD2-CD1 4.27Å; Y190-L194 WeakPolarHBondContact O-CB 3.2Å; Y190-L194 WeakPolarHBondContact O-CG 3.39Å; Y190-L194 PolarHBondContact O-N 3.27Å; M191-L194 HydrophobicContact CE-CD1 3.67Å; M191-L194 PolarHBondContact O-N 2.61Å; L194-K196 PolarHBondContact O-N 2.66Å; L194-T197 WeakPolarHBondContact CA-OG1 3.46Å; L194-T197 PolarHBondContact O-N 3.37Å; L194-T197 PolarHBondContact O-OG1 2.87Å; L194-E198 PolarHBondContact O-N 3.07Å
195E83.5Confident73.8Confident50 Ų50113.1 Ų113.123%0.23459%0.587CS.*Hα-helixtrans-60.2-33175.1-75.4-178.1-15000112.6K187 M191 R199K187-E195 WeakPolarHBondContact CD-OE1 3.39Å; K187-E195 IonicContact NZ-OE1 2.94Å; K187-E195 PolarHBondContact NZ-OE1 2.96Å; K187-E195 IonicContact NZ-OE2 3.43Å; M191-E195 PolarHBondContact O-N 2.99Å; E195-R199 WeakPolarHBondContact O-CB 3.31Å; E195-R199 WeakPolarHBondContact O-CD 3.34Å; E195-R199 WeakPolarHBondContact O-CG 3.47Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 VanDerWaalsContact O-N 3.1Å; E195-R199 IonicContact OE2-NH2 2.61Å; E195-R199 PolarHBondContact OE2-NH2 3.35Å
196K78Confident74.1Confident138 Ų138116.2 Ų116.260%0.658%0.584SS**Hα-helixtrans-68-41.7172.8-77.7171.9-176.6-177.90111.3T192 V193 L194 R199 S200T192-K196 WeakPolarHBondContact O-CB 3.37Å; T192-K196 VanDerWaalsContact O-CD 3.31Å; T192-K196 WeakPolarHBondContact O-CD 3.26Å; T192-K196 WeakPolarHBondContact O-CG 3.38Å; T192-K196 PolarHBondContact O-N 3.06Å; V193-K196 WeakPolarHBondContact O-CB 3.4Å; V193-K196 PolarHBondContact O-N 3.45Å; L194-K196 PolarHBondContact O-N 2.66Å; K196-R199 PolarHBondContact O-N 3.12Å; K196-S200 WeakPolarHBondContact O-CB 3.34Å; K196-S200 PolarHBondContact O-N 3.36Å; K196-S200 PolarHBondContact O-OG 2.94Å
197T69.6Low74.5Confident78 Ų78117.9 Ų117.948%0.47959%0.591SS.*Hα-helixtrans-68.6-34.6178.550.70000113.5V193 L194 S200V193-T197 PolarHBondContact O-N 3.46Å; V193-T197 PolarHBondContact O-OG1 3Å; L194-T197 WeakPolarHBondContact CA-OG1 3.46Å; L194-T197 PolarHBondContact O-N 3.37Å; L194-T197 PolarHBondContact O-OG1 2.87Å; T197-S200 WeakPolarHBondContact CA-OG 3.42Å; T197-S200 CarbonylContact O-C 3.54Å; T197-S200 VanDerWaalsContact O-O 3.14Å; T197-S200 PolarHBondContact O-OG 2.78Å; T197-S200 VanDerWaalsContact O-OG 3.04Å
198E71.4Confident74.2Confident153 Ų153120.6 Ų120.672%0.71560%0.603SS**Hα-helixtrans-69.3-43.1173.5-69.8-176.614500111.9L194 S200L194-E198 PolarHBondContact O-N 3.07Å; E198-S200 VanDerWaalsContact C-N 3.3Å; E198-S200 PolarHBondContact O-N 3.2Å
199R72.2Confident74Confident199 Ų199123.2 Ų123.275%0.75161%0.607SS**Hα-helixtrans-67-31.2176.5-69.8172-168-1557.4112.3E195 K196 A201E195-R199 WeakPolarHBondContact O-CB 3.31Å; E195-R199 WeakPolarHBondContact O-CD 3.34Å; E195-R199 WeakPolarHBondContact O-CG 3.47Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 VanDerWaalsContact O-N 3.1Å; E195-R199 IonicContact OE2-NH2 2.61Å; E195-R199 PolarHBondContact OE2-NH2 3.35Å; K196-R199 PolarHBondContact O-N 3.12Å; R199-A201 PolarHBondContact O-N 2.66Å
200S61.4Low73.9Confident70 Ų70120.5 Ų120.549%0.4960%0.603SS.*SBendtrans-79.173.3167.568.10000110.7K196 T197 E198 A202K196-S200 WeakPolarHBondContact O-CB 3.34Å; K196-S200 PolarHBondContact O-N 3.36Å; K196-S200 PolarHBondContact O-OG 2.94Å; T197-S200 WeakPolarHBondContact CA-OG 3.42Å; T197-S200 CarbonylContact O-C 3.54Å; T197-S200 VanDerWaalsContact O-O 3.14Å; T197-S200 PolarHBondContact O-OG 2.78Å; T197-S200 VanDerWaalsContact O-OG 3.04Å; E198-S200 VanDerWaalsContact C-N 3.3Å; E198-S200 PolarHBondContact O-N 3.2Å; S200-A202 PolarHBondContact O-N 2.87Å
201A62.8Low73.5Confident94 Ų94121.5 Ų121.578%0.77762%0.618SS**  trans-65.274.5171.300000110.7R199R199-A201 PolarHBondContact O-N 2.66Å
202A61.2Low72.8Confident64 Ų64124 Ų12453%0.52963%0.629SS.*  trans-65.3135.5-172.300000110.6S200 K204S200-A202 PolarHBondContact O-N 2.87Å; A202-K204 PolarHBondContact O-N 3.28Å
203P61.8Low72.1Confident116 Ų116129.3 Ų129.375%0.75366%0.655SS**  trans-57.2138.717225.6-33.8000109.2K205P203-K205 PolarHBondContact O-N 2.87Å
204K64.6Low71Confident211 Ų211131.7 Ų131.792%0.91767%0.671SS**  trans-52.4100.5-172.5-68.4177-179.51740110.4A202 Q206A202-K204 PolarHBondContact O-N 3.28Å; K204-Q206 PolarHBondContact O-N 3.45Å
205K67.7Low69.8Low188 Ų188135.8 Ų135.882%0.81769%0.688SS**PPolyproline II helixtrans-57131.8-177.6-67.4-175.71791800109.3P203 K207P203-K205 PolarHBondContact O-N 2.87Å; K205-K207 PolarHBondContact O-N 3.37Å
206Q68Low67.9Low167 Ų167144.2 Ų144.278%0.7872%0.718SS**PPolyproline II helixtrans-52.2132.7176.2178.7173.4-24.800109.6K204 F208K204-Q206 PolarHBondContact O-N 3.45Å; Q206-F208 PolarHBondContact O-N 2.86Å; Q206-F208 VanDerWaalsContact O-N 3.1Å
207K77.3Confident66.2Low190 Ų190145.7 Ų145.783%0.82673%0.727SS**PPolyproline II helixtrans-52.7120.1-177.9-66.7-176.5179.3-177.80109.3K205 K209K205-K207 PolarHBondContact O-N 3.37Å; K207-K209 PolarHBondContact O-N 3.36Å
208F71.1Confident65.5Low177 Ų177149.6 Ų149.678%0.77674%0.744SS**PPolyproline II helixtrans-57.4120.5180175.4-104.1000109.8Q206 P210Q206-F208 PolarHBondContact O-N 2.86Å; Q206-F208 VanDerWaalsContact O-N 3.1Å; F208-P210 HydrophobicContact CD1-CG 4.34Å; F208-P210 HydrophobicContact CE1-CB 4.36Å; F208-P210 HydrophobicContact CE1-CG 3.96Å
209K78.5Confident64Low121 Ų121145.7 Ų145.753%0.52675%0.746SS.*  trans-101.8115.3171.1-72-177.8175-176.40107.5K207 Q212K207-K209 PolarHBondContact O-N 3.36Å; K209-Q212 HydrophobicContact CB-CB 4.37Å; K209-Q212 HydrophobicContact CB-CG 4.1Å; K209-Q212 VanDerWaalsContact CD-OE1 3.31Å; K209-Q212 PolarHBondContact O-N 2.87Å
210P79.6Confident62.6Low91 Ų91141.8 Ų141.859%0.59175%0.749SS**THydrogen-bonded Turntrans-51.2147.2170.5-25.934.6000111.2F208 Q212F208-P210 HydrophobicContact CD1-CG 4.34Å; F208-P210 HydrophobicContact CE1-CB 4.36Å; F208-P210 HydrophobicContact CE1-CG 3.96Å; P210-Q212 PolarHBondContact O-N 3.35Å; P210-Q212 VanDerWaalsContact O-N 3.17Å
211N75.3Confident62.1Low168 Ų168144 Ų14490%0.89876%0.761SS**THydrogen-bonded Turntrans63.810.7177-49.8-20.3000116.3
212Q72.3Confident61Low125 Ų125145.6 Ų145.658%0.58477%0.767SS**  trans-99107.8166.1-65.2-160.3-26.300110.6K209 P210K209-Q212 HydrophobicContact CB-CB 4.37Å; K209-Q212 HydrophobicContact CB-CG 4.1Å; K209-Q212 VanDerWaalsContact CD-OE1 3.31Å; K209-Q212 PolarHBondContact O-N 2.87Å; P210-Q212 PolarHBondContact O-N 3.35Å; P210-Q212 VanDerWaalsContact O-N 3.17Å
213L68.6Low59.7Low165 Ų165146.2 Ų146.286%0.86478%0.78SS**PPolyproline II helixtrans-70136.2168.2-64.7175.2000109.2Q215L213-Q215 PolarHBondContact O-N 3.45Å
214P62.3Low58.8Low114 Ų114146 Ų14674%0.7478%0.781SS**PPolyproline II helixtrans-65.6134.3175.327.8-33.6000109.9R216P214-R216 PolarHBondContact O-N 3.22Å
215Q58.5Low57.5Low172 Ų172144 Ų14480%0.80478%0.779SS**PPolyproline II helixtrans-60.1126172.6-74.9-177.7-6800109.3L213L213-Q215 PolarHBondContact O-N 3.45Å
216R44.7Very low55.8Low227 Ų227141 Ų14186%0.85778%0.782SS**PPolyproline II helixtrans-74.1125.9166.7-64.9-145.4179-157.52.5108P214P214-R216 PolarHBondContact O-N 3.22Å
217H41.4Very low54.6Low169 Ų169138.6 Ų138.678%0.78278%0.783SS**PPolyproline II helixtrans-95.9125.3160.5-72.2-77.3000107.3G219H217-G219 PolarHBondContact O-N 3.23Å; H217-G219 VanDerWaalsContact O-N 3.09Å
218D54.2Low52.5Low160 Ų160132.7 Ų132.786%0.85678%0.777SS**  trans-74.8102.3-176.2-66-59.4000110.7
219G41.5Very low51.3Low72 Ų72135 Ų13574%0.74278%0.78SS**  trans-134.184.9177.300000110.1H217H217-G219 PolarHBondContact O-N 3.23Å; H217-G219 VanDerWaalsContact O-N 3.09Å
220S41.9Very low49.4Very low116 Ų116134.3 Ų134.381%0.81179%0.791SS**  trans-64.9172.9177.8-60.30000113.2
221P51.8Low48Very low116 Ų116134.7 Ų134.775%0.75380%0.796SS**  cis-135.4178.4-0.538-19.8000116.2
222S39Very low46.5Very low129 Ų129134.9 Ų134.990%0.90279%0.791SS**  trans73149.7149.6-153.10000119.5
223G34.3Very low45.5Very low77 Ų77136 Ų13679%0.79481%0.806SS**  trans136.9-1.6176.400000116.3
224S42Very low44.5Very low110 Ų110131 Ų13177%0.76980%0.796SS**  trans-128.4103.8-174.757.90000113.3
225L36.7Very low44.4Very low171 Ų171130.4 Ų130.490%0.89579%0.794SS**  trans-134.690.3164.3-74.2178.4000109.8S227L225-S227 PolarHBondContact O-N 3.13Å
226S33.1Very low44.7Very low123 Ų123127.9 Ų127.986%0.8679%0.792SS**  trans-86.397.8162-179.90000108.5
227S42.3Very low45.3Very low117 Ų117120 Ų12082%0.81877%0.767SS**  trans-74.3139.1156.8-64.80000108.5L225L225-S227 PolarHBondContact O-N 3.13Å
228G33.3Very low47.1Very low67 Ų67114.6 Ų114.669%0.69175%0.748SS**  cis-170.5162.1-5.800000111.2S230G228-S230 PolarHBondContact O-N 2.97Å
229R47.2Very low48.2Very low224 Ų224110.8 Ų110.885%0.84574%0.739SS**  trans-71113.6179.4-68.5162.859.2-113.71.6110.7S231R229-S231 PolarHBondContact O-N 3.01Å
230S37.6Very low50.2Low107 Ų107113.5 Ų113.575%0.74874%0.736SS**  trans-74.6113.4152.545.30000108.6G228 E232G228-S230 PolarHBondContact O-N 2.97Å; S230-E232 VanDerWaalsContact C-N 3.33Å; S230-E232 PolarHBondContact O-N 3.33Å
231S50.3Low52.3Low99 Ų99110.9 Ų110.969%0.69271%0.713SS**  trans-86.574.9175.5-178.80000109.5R229R229-S231 PolarHBondContact O-N 3.01Å
232E42.8Very low53.7Low173 Ų173111.6 Ų111.681%0.80870%0.7SS**  trans-103.8116.4-178.2-163.9163-144.200111.1S230 G234S230-E232 VanDerWaalsContact C-N 3.33Å; S230-E232 PolarHBondContact O-N 3.33Å; E232-G234 PolarHBondContact O-N 2.87Å
233T52.1Low55.9Low147 Ų147112.4 Ų112.490%0.90269%0.688SS**  trans-75.868.2-176.6-50.90000111
234G46.8Very low58.2Low62 Ų62114.5 Ų114.564%0.63968%0.677SS**  trans-79.3129.7177.900000112.8E232E232-G234 PolarHBondContact O-N 2.87Å
235S61.5Low60.2Low100 Ų100115.6 Ų115.670%0.69966%0.664SS**  trans-49.2152.3161-58.30000110.9L237S235-L237 PolarHBondContact O-N 3.42Å
236P64.3Low62.4Low119 Ų119112 Ų11277%0.77365%0.646SS**  trans-61.798-178.125.5-34.8000111S238P236-S238 PolarHBondContact O-N 2.83Å
237L58.1Low64.5Low61 Ų61114.1 Ų114.132%0.31964%0.635SS.*  trans-47.8136.6-177.8-65.2173000111.3S235 D241 R242S235-L237 PolarHBondContact O-N 3.42Å; L237-D241 HydrophobicContact CB-CB 4.44Å; L237-R242 HydrophobicContact CB-CG 3.9Å; L237-R242 PolarHBondContact O-NH1 3.46Å
238S78.8Confident66.1Low56 Ų56114.8 Ų114.839%0.39262%0.623SS.*  trans-55.8153.2178.5-174.90000110.5P236 L240 D241 R242P236-S238 PolarHBondContact O-N 2.83Å; S238-L240 PolarHBondContact O-N 2.9Å; S238-L240 VanDerWaalsContact O-N 3.11Å; S238-L240 PolarHBondContact OG-N 2.9Å; S238-D241 VanDerWaalsContact CB-CG 3.47Å; S238-D241 WeakPolarHBondContact CB-OD1 3.26Å; S238-D241 VanDerWaalsContact CB-OD2 3.27Å; S238-D241 WeakPolarHBondContact CB-OD2 3.39Å; S238-D241 PolarHBondContact N-OD2 3.4Å; S238-D241 PolarHBondContact O-N 3.42Å; S238-D241 VanDerWaalsContact O-N 3.1Å; S238-R242 PolarHBondContact O-N 3.5Å
239A78Confident68.2Low80 Ų80117.2 Ų117.266%0.66162%0.616SS**Hα-helixtrans-56.9-26.3173.100000111.7K243A239-K243 VanDerWaalsContact O-CB 3.24Å; A239-K243 WeakPolarHBondContact O-CB 3.3Å; A239-K243 PolarHBondContact O-N 2.82Å
240L83.6Confident69.4Low130 Ų130111.6 Ų111.668%0.68160%0.603SS**Hα-helixtrans-71.5-55170.2-68.9173.4000112S238 R242 K243 E244S238-L240 PolarHBondContact O-N 2.9Å; S238-L240 VanDerWaalsContact O-N 3.11Å; S238-L240 PolarHBondContact OG-N 2.9Å; L240-R242 PolarHBondContact O-N 3.25Å; L240-R242 VanDerWaalsContact O-N 3.17Å; L240-K243 CarbonylContact O-C 3.54Å; L240-K243 PolarHBondContact O-N 3.39Å; L240-E244 PolarHBondContact O-N 2.87Å
241D83.9Confident70.9Confident61 Ų61109.8 Ų109.833%0.32658%0.584SS.*Hα-helixtrans-62.2-27.2-177-23.4-33.8000113.4L237 S238 R245L237-D241 HydrophobicContact CB-CB 4.44Å; S238-D241 VanDerWaalsContact CB-CG 3.47Å; S238-D241 WeakPolarHBondContact CB-OD1 3.26Å; S238-D241 VanDerWaalsContact CB-OD2 3.27Å; S238-D241 WeakPolarHBondContact CB-OD2 3.39Å; S238-D241 PolarHBondContact N-OD2 3.4Å; S238-D241 PolarHBondContact O-N 3.42Å; S238-D241 VanDerWaalsContact O-N 3.1Å; D241-R245 VanDerWaalsContact CB-NH1 3.26Å; D241-R245 WeakPolarHBondContact O-CG 3.35Å; D241-R245 PolarHBondContact O-N 2.92Å; D241-R245 PolarHBondContact O-NH1 3.38Å
242R83.2Confident72Confident131 Ų131111.2 Ų111.249%0.49458%0.584SS.*Hα-helixtrans-68.2-55.7168.7-74-178.2163.1116.9-12.8110.5L237 S238 L240 E244 R245 D246L237-R242 HydrophobicContact CB-CG 3.9Å; L237-R242 PolarHBondContact O-NH1 3.46Å; S238-R242 PolarHBondContact O-N 3.5Å; L240-R242 PolarHBondContact O-N 3.25Å; L240-R242 VanDerWaalsContact O-N 3.17Å; R242-E244 PolarHBondContact O-N 3.34Å; R242-R245 WeakPolarHBondContact O-CB 3.32Å; R242-R245 PolarHBondContact O-N 3.12Å; R242-D246 VanDerWaalsContact O-CG 3.27Å; R242-D246 PolarHBondContact O-N 3.49Å
243K83.6Confident73.4Confident146 Ų146108.6 Ų108.664%0.63557%0.574SS**Hα-helixtrans-61-27.9-178.8-166.1172.6-172.8177.20113.4A239 L240 R247A239-K243 VanDerWaalsContact O-CB 3.24Å; A239-K243 WeakPolarHBondContact O-CB 3.3Å; A239-K243 PolarHBondContact O-N 2.82Å; L240-K243 CarbonylContact O-C 3.54Å; L240-K243 PolarHBondContact O-N 3.39Å; K243-R247 WeakPolarHBondContact O-CB 3.49Å; K243-R247 PolarHBondContact O-N 2.99Å
244E84.1Confident74.7Confident121 Ų121104.9 Ų104.957%0.56555%0.552SS**Hα-helixtrans-74.4-43.5172.6-175171.8-146.700112.5L240 R242 D246 R247 K248L240-E244 PolarHBondContact O-N 2.87Å; R242-E244 PolarHBondContact O-N 3.34Å; E244-D246 VanDerWaalsContact C-N 3.33Å; E244-R247 WeakPolarHBondContact O-CB 3.34Å; E244-R247 PolarHBondContact O-N 3.45Å; E244-K248 WeakPolarHBondContact O-CG 3.36Å; E244-K248 PolarHBondContact O-N 2.73Å
245R83.4Confident75.7Confident132 Ų132107 Ų10750%0.49856%0.564SS.*Hα-helixtrans-60.5-44171.8-75.5176.2-178.180.4-8.2111.3D241 R242 R247 K248 H249D241-R245 VanDerWaalsContact CB-NH1 3.26Å; D241-R245 WeakPolarHBondContact O-CG 3.35Å; D241-R245 PolarHBondContact O-N 2.92Å; D241-R245 PolarHBondContact O-NH1 3.38Å; R242-R245 WeakPolarHBondContact O-CB 3.32Å; R242-R245 PolarHBondContact O-N 3.12Å; R245-R247 VanDerWaalsContact C-N 3.31Å; R245-R247 PolarHBondContact O-N 3.39Å; R245-K248 PolarHBondContact O-N 3.02Å; R245-H249 WeakPolarHBondContact O-CB 3.25Å; R245-H249 PolarHBondContact O-N 3.06Å
246D81.7Confident76.3Confident96 Ų96106.2 Ų106.251%0.51356%0.563SS.*Hα-helixtrans-61.1-40.9176.2-62.9-26000111.1R242 E244 H249 L250R242-D246 VanDerWaalsContact O-CG 3.27Å; R242-D246 PolarHBondContact O-N 3.49Å; E244-D246 VanDerWaalsContact C-N 3.33Å; D246-H249 PolarHBondContact O-N 3.42Å; D246-L250 WeakPolarHBondContact O-CB 3.43Å; D246-L250 WeakPolarHBondContact O-CD1 3.48Å; D246-L250 VanDerWaalsContact O-CG 3.27Å; D246-L250 WeakPolarHBondContact O-CG 3.44Å; D246-L250 PolarHBondContact O-N 3.03Å
247R77.9Confident76.8Confident167 Ų167106.7 Ų106.763%0.6355%0.553SS**Hα-helixtrans-61.1-43.9173.2-116169.556104.2-2112.8K243 E244 R245 L250 D251K243-R247 WeakPolarHBondContact O-CB 3.49Å; K243-R247 PolarHBondContact O-N 2.99Å; E244-R247 WeakPolarHBondContact O-CB 3.34Å; E244-R247 PolarHBondContact O-N 3.45Å; R245-R247 VanDerWaalsContact C-N 3.31Å; R245-R247 PolarHBondContact O-N 3.39Å; R247-L250 PolarHBondContact O-N 2.87Å; R247-D251 PolarHBondContact O-N 3.45Å
248K77.1Confident77.8Confident131 Ų131111.1 Ų111.157%0.5758%0.576SS**Hα-helixtrans-63.6-47176-71.9177.260176.50111.3E244 R245 L250 D251 D252E244-K248 WeakPolarHBondContact O-CG 3.36Å; E244-K248 PolarHBondContact O-N 2.73Å; R245-K248 PolarHBondContact O-N 3.02Å; K248-L250 VanDerWaalsContact C-N 3.28Å; K248-L250 PolarHBondContact O-N 3.21Å; K248-D251 CarbonylContact O-C 3.56Å; K248-D251 WeakPolarHBondContact O-CA 3.41Å; K248-D251 WeakPolarHBondContact O-CB 3.47Å; K248-D251 PolarHBondContact O-N 2.95Å; K248-D252 WeakPolarHBondContact O-CB 3.48Å; K248-D252 PolarHBondContact O-N 2.95Å; K248-D252 VanDerWaalsContact O-OD2 3.13Å
249H76.8Confident78.1Confident119 Ų119113.4 Ų113.455%0.55159%0.59SS**Hα-helixtrans-61.4-35.4177-176.4-109.7000112.5R245 D246 I253R245-H249 WeakPolarHBondContact O-CB 3.25Å; R245-H249 PolarHBondContact O-N 3.06Å; D246-H249 PolarHBondContact O-N 3.42Å; H249-I253 WeakPolarHBondContact CE1-CD1 3.45Å; H249-I253 WeakPolarHBondContact O-CB 3.49Å; H249-I253 WeakPolarHBondContact O-CG1 3.36Å; H249-I253 PolarHBondContact O-N 3.35Å
250L72.1Confident78.3Confident106 Ų106114.9 Ų114.956%0.55559%0.592SS**Hα-helixtrans-65.4-45.8169.7-76.9162.2000112D246 R247 K248 D252 T254D246-L250 WeakPolarHBondContact O-CB 3.43Å; D246-L250 WeakPolarHBondContact O-CD1 3.48Å; D246-L250 VanDerWaalsContact O-CG 3.27Å; D246-L250 WeakPolarHBondContact O-CG 3.44Å; D246-L250 PolarHBondContact O-N 3.03Å; R247-L250 PolarHBondContact O-N 2.87Å; K248-L250 VanDerWaalsContact C-N 3.28Å; K248-L250 PolarHBondContact O-N 3.21Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 3.5Å; L250-T254 WeakPolarHBondContact O-CB 3.34Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 3.42Å
251D69.2Low78.5Confident68 Ų68116.5 Ų116.536%0.36460%0.601SS.*Hα-helixtrans-61.6-36.5175.3-85.416000112.7R247 K248 K257R247-D251 PolarHBondContact O-N 3.45Å; K248-D251 CarbonylContact O-C 3.56Å; K248-D251 WeakPolarHBondContact O-CA 3.41Å; K248-D251 WeakPolarHBondContact O-CB 3.47Å; K248-D251 PolarHBondContact O-N 2.95Å; D251-K257 HydrophobicContact CB-CD 4.22Å; D251-K257 IonicContact OD2-NZ 2.69Å; D251-K257 PolarHBondContact OD2-NZ 2.89Å
252D73.9Confident78.8Confident130 Ų130121.8 Ų121.870%0.69562%0.623SS**Hα-helixtrans-78.4-34.7-177.9-64.4-31.8000112.3K248 L250K248-D252 WeakPolarHBondContact O-CB 3.48Å; K248-D252 PolarHBondContact O-N 2.95Å; K248-D252 VanDerWaalsContact O-OD2 3.13Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 3.5Å
253I72.4Confident79.1Confident117 Ų117123 Ų12360%0.663%0.634SS**Hα-helixtrans-79.4-30.7174.2-72.2177.6000111.8H249 A255H249-I253 WeakPolarHBondContact CE1-CD1 3.45Å; H249-I253 WeakPolarHBondContact O-CB 3.49Å; H249-I253 WeakPolarHBondContact O-CG1 3.36Å; H249-I253 PolarHBondContact O-N 3.35Å; I253-A255 PolarHBondContact O-N 2.85Å
254T77.8Confident79.3Confident69 Ų69120 Ų12042%0.42363%0.631SS.*  trans-80.983.3-176.6-55.30000110.9L250 A256 K257L250-T254 WeakPolarHBondContact O-CB 3.34Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 3.42Å; T254-A256 HydrophobicContact CG2-CB 4.04Å; T254-A256 PolarHBondContact O-N 3.44Å; T254-K257 PolarHBondContact O-N 2.86Å
255A68Low79.6Confident108 Ų108119.6 Ų119.689%0.89364%0.639SS**THydrogen-bonded Turntrans-56.9-6174.300000115.1I253 K257I253-A255 PolarHBondContact O-N 2.85Å; A255-K257 VanDerWaalsContact C-N 3.3Å
256A74.4Confident79.9Confident82 Ų82118.4 Ų118.468%0.67866%0.657SS**THydrogen-bonded Turntrans-845.6171.400000114.2T254 L258T254-A256 HydrophobicContact CG2-CB 4.04Å; T254-A256 PolarHBondContact O-N 3.44Å; A256-L258 PolarHBondContact O-N 3.23Å; A256-L258 VanDerWaalsContact O-N 3.15Å
257K75.6Confident80.3Confident129 Ų129120.5 Ų120.556%0.56166%0.664SS**  trans-68.7107172-172.3168.4178.2176.50110D251 T254 A255D251-K257 HydrophobicContact CB-CD 4.22Å; D251-K257 IonicContact OD2-NZ 2.69Å; D251-K257 PolarHBondContact OD2-NZ 2.89Å; T254-K257 PolarHBondContact O-N 2.86Å; A255-K257 VanDerWaalsContact C-N 3.3Å
258L78.2Confident81.1Confident154 Ų154121.1 Ų121.181%0.80668%0.679SS**PPolyproline II helixtrans-59.6145.3-179.1-64176.1000111.6A256A256-L258 PolarHBondContact O-N 3.23Å; A256-L258 VanDerWaalsContact O-N 3.15Å
259P84.3Confident82Confident105 Ų105118.8 Ų118.868%0.68267%0.673SS**PPolyproline II helixtrans-55.4147.8171.1-2534.5000112.1L261P259-L261 PolarHBondContact O-N 2.88Å
260P83.6Confident82.9Confident111 Ų111115.6 Ų115.672%0.72166%0.664SS**PPolyproline II helixtrans-55.1131.5174.3-25.535.1000112H262P260-H262 PolarHBondContact O-CD2 3.26Å; P260-H262 PolarHBondContact O-N 3.14Å; P260-H262 VanDerWaalsContact O-N 3.13Å
261L87.1Confident84.1Confident163 Ų163118 Ų11885%0.85368%0.676SS**  trans-68.4109.4174.7-85161.3000109.9P259 H263P259-L261 PolarHBondContact O-N 2.88Å; L261-H263 PolarHBondContact O-N 2.8Å
262H89.7Confident85.4Confident172 Ų172122 Ų12280%0.79669%0.693SS**SBendtrans-68-14.7178.1-75.3-88.5000114.1P260P260-H262 PolarHBondContact O-CD2 3.26Å; P260-H262 PolarHBondContact O-N 3.14Å; P260-H262 VanDerWaalsContact O-N 3.13Å
263H90.5Very high86.5Confident158 Ų158120.8 Ų120.873%0.73168%0.683SS**SBendtrans-131.4146.1-176.1-55.6-36.6000109.9L261L261-H263 PolarHBondContact O-N 2.8Å
264S87Confident87.7Confident82 Ų82117.3 Ų117.357%0.57367%0.669SS**PPolyproline II helixtrans-60.9153.1171.351.90000111.1
265P90.4Very high88.6Confident112 Ų112116.3 Ų116.373%0.72767%0.668SS**PPolyproline II helixtrans-56.5157.3167.627.3-35.8000111Q267P265-Q267 PolarHBondContact O-N 3.48Å
266A90.4Very high90.1Very high107 Ų107113.2 Ų113.288%0.88464%0.642SS**PPolyproline II helixtrans-55126-176.700000111.8
267Q90.5Very high91.1Very high140 Ų140113.9 Ų113.965%0.65463%0.633SS**PPolyproline II helixtrans-97.5138.9177.1-64.4178.8-3.900109.4P265P265-Q267 PolarHBondContact O-N 3.48Å
268L94.8Very high92.2Very high180 Ų180111.8 Ų111.894%0.94263%0.632SS**PPolyproline II helixtrans-82.6122.7169.1-60.9178.8000108
269L94.6Very high93.1Very high83 Ų83111.8 Ų111.844%0.43562%0.621SS.*  trans-113.6149.9177.4-61.5177.9000109.8E273 L277L269-E273 HydrophobicContact CB-CB 4.28Å; L269-E273 HydrophobicContact CD2-CB 4.44Å; L269-L277 HydrophobicContact CD1-CD2 4.33Å
270S97.6Very high93.8Very high52 Ų52111.3 Ų111.336%0.36461%0.61SS.*  trans-69.7166.7166.467.70000112E272 E273 S274S270-E272 PolarHBondContact O-N 2.92Å; S270-E273 WeakPolarHBondContact CB-OE2 3.44Å; S270-E273 PolarHBondContact N-OE2 2.85Å; S270-E273 PolarHBondContact O-N 3.4Å; S270-E273 WeakPolarHBondContact OG-CB 3.38Å; S270-E273 VanDerWaalsContact OG-CD 3.3Å; S270-E273 VanDerWaalsContact OG-CG 3.28Å; S270-E273 WeakPolarHBondContact OG-CG 3.34Å; S270-E273 PolarHBondContact OG-N 3.29Å; S270-E273 PolarHBondContact OG-OE2 3.15Å; S270-S274 WeakPolarHBondContact O-CB 3.37Å; S270-S274 PolarHBondContact O-N 3.35Å; S270-S274 PolarHBondContact O-OG 3.34Å
271L96.2Very high94.5Very high155 Ų155112.1 Ų112.181%0.81260%0.603SS**Hα-helixtrans-64.8-30.6174.7-62.4178.4000112.1S274 A275L271-S274 WeakPolarHBondContact CA-OG 3.43Å; L271-S274 PolarHBondContact O-OG 3.27Å; L271-A275 VanDerWaalsContact O-CB 3.26Å; L271-A275 WeakPolarHBondContact O-CB 3.24Å; L271-A275 PolarHBondContact O-N 2.92Å; L271-A275 VanDerWaalsContact O-N 3.12Å
272E97.1Very high95Very high153 Ų153107.3 Ų107.372%0.71558%0.581SS**Hα-helixtrans-72.7-46.7176.6-175.7170.4-171.800111.9S270 A275 A276S270-E272 PolarHBondContact O-N 2.92Å; E272-A275 PolarHBondContact O-N 3.09Å; E272-A276 WeakPolarHBondContact O-CB 3.38Å; E272-A276 PolarHBondContact O-N 3.43Å
273E97.3Very high95.4Very high105 Ų105105.6 Ų105.649%0.49157%0.571SS.*Hα-helixtrans-62.5-43.9178-71.9162.2125.900111.7L269 S270 A276 L277L269-E273 HydrophobicContact CB-CB 4.28Å; L269-E273 HydrophobicContact CD2-CB 4.44Å; S270-E273 WeakPolarHBondContact CB-OE2 3.44Å; S270-E273 PolarHBondContact N-OE2 2.85Å; S270-E273 PolarHBondContact O-N 3.4Å; S270-E273 WeakPolarHBondContact OG-CB 3.38Å; S270-E273 VanDerWaalsContact OG-CD 3.3Å; S270-E273 VanDerWaalsContact OG-CG 3.28Å; S270-E273 WeakPolarHBondContact OG-CG 3.34Å; S270-E273 PolarHBondContact OG-N 3.29Å; S270-E273 PolarHBondContact OG-OE2 3.15Å; E273-A276 WeakPolarHBondContact O-CB 3.45Å; E273-A276 PolarHBondContact O-N 3.36Å; E273-L277 WeakPolarHBondContact O-CB 3.47Å; E273-L277 PolarHBondContact O-N 3.11Å
274S96.8Very high95.8Very high44 Ų44103.7 Ų103.731%0.30856%0.561SS.*Hα-helixtrans-65.1-41.1176.353.30000112.2S270 L271 A276 L277 V278S270-S274 WeakPolarHBondContact O-CB 3.37Å; S270-S274 PolarHBondContact O-N 3.35Å; S270-S274 PolarHBondContact O-OG 3.34Å; L271-S274 WeakPolarHBondContact CA-OG 3.43Å; L271-S274 PolarHBondContact O-OG 3.27Å; S274-A276 VanDerWaalsContact C-N 3.31Å; S274-A276 PolarHBondContact O-N 3.24Å; S274-L277 PolarHBondContact O-N 3.33Å; S274-V278 WeakPolarHBondContact O-CG2 3.4Å; S274-V278 PolarHBondContact O-N 2.85Å; S274-V278 VanDerWaalsContact O-N 3.12Å
275A97.6Very high96.3Very high48 Ų48105.8 Ų105.840%0.39756%0.562SS.*Hα-helixtrans-65.1-32.3172.300000112.9L271 E272 R279L271-A275 VanDerWaalsContact O-CB 3.26Å; L271-A275 WeakPolarHBondContact O-CB 3.24Å; L271-A275 PolarHBondContact O-N 2.92Å; L271-A275 VanDerWaalsContact O-N 3.12Å; E272-A275 PolarHBondContact O-N 3.09Å; A275-R279 WeakPolarHBondContact O-CG 3.33Å; A275-R279 PolarHBondContact O-N 3.41Å; A275-R279 PolarHBondContact O-NE 2.87Å
276A97.9Very high96.7Very high42 Ų42106.5 Ų106.535%0.34756%0.555SS.*Hα-helixtrans-70.1-45.9173.800000111.9E272 E273 S274 V278 R279 E280E272-A276 WeakPolarHBondContact O-CB 3.38Å; E272-A276 PolarHBondContact O-N 3.43Å; E273-A276 WeakPolarHBondContact O-CB 3.45Å; E273-A276 PolarHBondContact O-N 3.36Å; S274-A276 VanDerWaalsContact C-N 3.31Å; S274-A276 PolarHBondContact O-N 3.24Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-V278 PolarHBondContact O-N 2.98Å; A276-R279 VanDerWaalsContact CA-NH2 3.35Å; A276-R279 WeakPolarHBondContact O-CB 3.46Å; A276-R279 PolarHBondContact O-N 3.07Å; A276-R279 VanDerWaalsContact O-N 3.13Å; A276-E280 PolarHBondContact O-N 3.33Å
277L96.7Very high97.1Very high96 Ų96105.7 Ų105.750%0.50353%0.533SS..Hα-helixtrans-58-44.3178.9-167.776.8000111.7L269 E273 S274 E280 Q281L269-L277 HydrophobicContact CD1-CD2 4.33Å; E273-L277 WeakPolarHBondContact O-CB 3.47Å; E273-L277 PolarHBondContact O-N 3.11Å; S274-L277 PolarHBondContact O-N 3.33Å; L277-E280 PolarHBondContact O-N 2.96Å; L277-Q281 WeakPolarHBondContact O-CB 3.4Å; L277-Q281 PolarHBondContact O-N 2.96Å
278V97.8Very high97.5Very high86 Ų86104.8 Ų104.852%0.52153%0.532SS..Hα-helixtrans-62.5-42.6176.3172.30000111.5S274 A276 E280 Q281 T282S274-V278 WeakPolarHBondContact O-CG2 3.4Å; S274-V278 PolarHBondContact O-N 2.85Å; S274-V278 VanDerWaalsContact O-N 3.12Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-V278 PolarHBondContact O-N 2.98Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 2.93Å; V278-Q281 PolarHBondContact O-N 3.24Å; V278-T282 WeakPolarHBondContact O-CG2 3.24Å; V278-T282 PolarHBondContact O-N 3.21Å; V278-T282 PolarHBondContact O-OG1 2.89Å; V278-T282 VanDerWaalsContact O-OG1 3.13Å
279R98.3Very high97.6Very high153 Ų153102.3 Ų102.358%0.57752%0.516SS*.Hα-helixtrans-64.1-35.8175.9-75.4174.9-74.5158.7-4.3112.6A275 A276 T282 K283A275-R279 WeakPolarHBondContact O-CG 3.33Å; A275-R279 PolarHBondContact O-N 3.41Å; A275-R279 PolarHBondContact O-NE 2.87Å; A276-R279 VanDerWaalsContact CA-NH2 3.35Å; A276-R279 WeakPolarHBondContact O-CB 3.46Å; A276-R279 PolarHBondContact O-N 3.07Å; A276-R279 VanDerWaalsContact O-N 3.13Å; R279-T282 PolarHBondContact O-OG1 3.11Å; R279-K283 WeakPolarHBondContact O-CB 3.23Å; R279-K283 PolarHBondContact O-N 3.06Å
280E98.1Very high97.8Very high96 Ų96101.1 Ų101.145%0.44952%0.518SS..Hα-helixtrans-71.3-41175.1-162.2-166.7156.400111.6A276 L277 V278 K283 K284A276-E280 PolarHBondContact O-N 3.33Å; L277-E280 PolarHBondContact O-N 2.96Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 2.93Å; E280-K283 PolarHBondContact O-N 3.33Å; E280-K284 WeakPolarHBondContact O-CG 3.44Å; E280-K284 PolarHBondContact O-N 3.32Å; E280-K284 WeakPolarHBondContact OE1-CE 3.42Å; E280-K284 IonicContact OE1-NZ 3.84Å; E280-K284 PolarHBondContact OE1-NZ 3Å
281Q98.2Very high97.8Very high127 Ų127104.8 Ų104.859%0.59353%0.528SS*.Hα-helixtrans-65.3-45.3179.2-174.3177-000112.1L277 V278 K284 Q285L277-Q281 WeakPolarHBondContact O-CB 3.4Å; L277-Q281 PolarHBondContact O-N 2.96Å; V278-Q281 PolarHBondContact O-N 3.24Å; Q281-K284 PolarHBondContact O-N 3.32Å; Q281-Q285 PolarHBondContact O-N 2.9Å
282T98.1Very high97.9Very high62 Ų62101.6 Ų101.638%0.3851%0.511SS..Hα-helixtrans-64.7-40.5176.454.20000111.5V278 R279 K284 Q285 Q286V278-T282 WeakPolarHBondContact O-CG2 3.24Å; V278-T282 PolarHBondContact O-N 3.21Å; V278-T282 PolarHBondContact O-OG1 2.89Å; V278-T282 VanDerWaalsContact O-OG1 3.13Å; R279-T282 PolarHBondContact O-OG1 3.11Å; T282-K284 PolarHBondContact O-N 2.96Å; T282-Q285 PolarHBondContact O-N 2.74Å; T282-Q286 WeakPolarHBondContact O-CB 3.48Å; T282-Q286 VanDerWaalsContact O-CG 3.32Å; T282-Q286 WeakPolarHBondContact O-CG 3.43Å; T282-Q286 PolarHBondContact O-N 3.47Å
283K98.5Very high97.8Very high136 Ų13696.4 Ų96.459%0.59149%0.494SS*.Hα-helixtrans-58.9-46.2172.6-177.2-179.9176.5-177.50112R279 E280 Q285 Q286 E287R279-K283 WeakPolarHBondContact O-CB 3.23Å; R279-K283 PolarHBondContact O-N 3.06Å; E280-K283 PolarHBondContact O-N 3.33Å; K283-Q285 VanDerWaalsContact C-N 3.33Å; K283-Q285 PolarHBondContact O-N 2.74Å; K283-Q286 PolarHBondContact O-N 3.27Å; K283-E287 WeakPolarHBondContact O-CB 3.38Å; K283-E287 PolarHBondContact O-N 2.88Å
284K98.4Very high97.7Very high118 Ų11894.1 Ų94.151%0.51349%0.493SS..Hα-helixtrans-61.8-39176.3-77.2174.5-178.3167.90112.5E280 Q281 T282 L288E280-K284 WeakPolarHBondContact O-CG 3.44Å; E280-K284 PolarHBondContact O-N 3.32Å; E280-K284 WeakPolarHBondContact OE1-CE 3.42Å; E280-K284 IonicContact OE1-NZ 3.84Å; E280-K284 PolarHBondContact OE1-NZ 3Å; Q281-K284 PolarHBondContact O-N 3.32Å; T282-K284 PolarHBondContact O-N 2.96Å; K284-L288 WeakPolarHBondContact O-CB 3.19Å; K284-L288 PolarHBondContact O-N 3.31Å
285Q98.4Very high97.7Very high126 Ų12698.1 Ų98.159%0.58951%0.507SS*.Hα-helixtrans-65.5-46.5175.9-176.3177.9-3.500111.6Q281 T282 K283 E287 L288 Q289Q281-Q285 PolarHBondContact O-N 2.9Å; T282-Q285 PolarHBondContact O-N 2.74Å; K283-Q285 VanDerWaalsContact C-N 3.33Å; K283-Q285 PolarHBondContact O-N 2.74Å; Q285-E287 PolarHBondContact O-N 3.41Å; Q285-L288 PolarHBondContact O-N 3.4Å; Q285-Q289 WeakPolarHBondContact O-CB 3.38Å; Q285-Q289 PolarHBondContact O-N 2.81Å
286Q98.1Very high97.5Very high127 Ų127102.5 Ų102.559%0.59352%0.517SS*.Hα-helixtrans-60.7-43.1175.3-72.2170.7-900111.7T282 K283 Q289 A290T282-Q286 WeakPolarHBondContact O-CB 3.48Å; T282-Q286 VanDerWaalsContact O-CG 3.32Å; T282-Q286 WeakPolarHBondContact O-CG 3.43Å; T282-Q286 PolarHBondContact O-N 3.47Å; K283-Q286 PolarHBondContact O-N 3.27Å; Q286-Q289 PolarHBondContact O-N 3.45Å; Q286-A290 VanDerWaalsContact O-CB 3.26Å; Q286-A290 WeakPolarHBondContact O-CB 3.23Å; Q286-A290 PolarHBondContact O-N 2.95Å
287E98.3Very high97.1Very high91 Ų91106 Ų10643%0.42553%0.529SS..Hα-helixtrans-63.2-42.4177-169.4-168.2133.900112K283 Q285 A290 K291K283-E287 WeakPolarHBondContact O-CB 3.38Å; K283-E287 PolarHBondContact O-N 2.88Å; Q285-E287 PolarHBondContact O-N 3.41Å; E287-A290 PolarHBondContact O-N 2.89Å; E287-K291 HydrophobicContact CG-CD 4.34Å; E287-K291 WeakPolarHBondContact O-CB 3.3Å; E287-K291 VanDerWaalsContact O-CG 3.3Å; E287-K291 WeakPolarHBondContact O-CG 3.46Å; E287-K291 PolarHBondContact O-N 3.37Å; E287-K291 WeakPolarHBondContact OE1-CE 3.39Å; E287-K291 IonicContact OE1-NZ 2.75Å; E287-K291 PolarHBondContact OE1-NZ 3.43Å
288L98.4Very high96.6Very high120 Ų120104.4 Ų104.463%0.62853%0.526SS*.Hα-helixtrans-68.7-39.6177.5-171.7147.2000111.7K284 Q285 K291 L292K284-L288 WeakPolarHBondContact O-CB 3.19Å; K284-L288 PolarHBondContact O-N 3.31Å; Q285-L288 PolarHBondContact O-N 3.4Å; L288-K291 PolarHBondContact O-N 3Å; L288-L292 WeakPolarHBondContact O-CB 3.41Å; L288-L292 PolarHBondContact O-N 2.89Å
289Q97.9Very high96.1Very high128 Ų128106.1 Ų106.160%0.59853%0.529SS*.Hα-helixtrans-63.1-44.1172.5-178.7176.3-8.200111.5Q285 Q286 L292 A293Q285-Q289 WeakPolarHBondContact O-CB 3.38Å; Q285-Q289 PolarHBondContact O-N 2.81Å; Q286-Q289 PolarHBondContact O-N 3.45Å; Q289-L292 PolarHBondContact O-N 3.48Å; Q289-A293 WeakPolarHBondContact O-CB 3.42Å; Q289-A293 PolarHBondContact O-N 3.09Å
290A97.8Very high95Very high59 Ų59100.5 Ų100.549%0.48852%0.519SS..Hα-helixtrans-64.7-40.5176.700000112Q286 E287 A293 A294Q286-A290 VanDerWaalsContact O-CB 3.26Å; Q286-A290 WeakPolarHBondContact O-CB 3.23Å; Q286-A290 PolarHBondContact O-N 2.95Å; E287-A290 PolarHBondContact O-N 2.89Å; A290-A293 PolarHBondContact O-N 2.8Å; A290-A294 VanDerWaalsContact O-CB 3.25Å; A290-A294 WeakPolarHBondContact O-CB 3.41Å; A290-A294 PolarHBondContact O-N 2.66Å
291K97.8Very high93.3Very high129 Ų129102.8 Ų102.856%0.56153%0.533SS*.Hα-helixtrans-61.2-44.8173-79.5169170.71730112.1E287 L288 A294 Q295E287-K291 HydrophobicContact CG-CD 4.34Å; E287-K291 WeakPolarHBondContact O-CB 3.3Å; E287-K291 VanDerWaalsContact O-CG 3.3Å; E287-K291 WeakPolarHBondContact O-CG 3.46Å; E287-K291 PolarHBondContact O-N 3.37Å; E287-K291 WeakPolarHBondContact OE1-CE 3.39Å; E287-K291 IonicContact OE1-NZ 2.75Å; E287-K291 PolarHBondContact OE1-NZ 3.43Å; L288-K291 PolarHBondContact O-N 3Å; K291-A294 PolarHBondContact O-N 2.81Å; K291-Q295 WeakPolarHBondContact O-CB 3.23Å; K291-Q295 PolarHBondContact O-N 3.24Å
292L97.7Very high91.6Very high87 Ų87104.9 Ų104.946%0.45554%0.54SS..Hα-helixtrans-66-40.4177.3-172155.4000111.7L288 Q289 Q295 K296L288-L292 WeakPolarHBondContact O-CB 3.41Å; L288-L292 PolarHBondContact O-N 2.89Å; Q289-L292 PolarHBondContact O-N 3.48Å; L292-Q295 PolarHBondContact O-N 2.87Å; L292-K296 HydrophobicContact CD2-CD 3.94Å; L292-K296 HydrophobicContact CD2-CG 4.43Å; L292-K296 WeakPolarHBondContact O-CG 3.33Å; L292-K296 PolarHBondContact O-N 3.06Å
293A96.1Very high89.9Confident44 Ų44108.1 Ų108.136%0.36455%0.554SS.*Hα-helixtrans-64.3-48174.400000111.7Q289 A290 Q295 K296 L297Q289-A293 WeakPolarHBondContact O-CB 3.42Å; Q289-A293 PolarHBondContact O-N 3.09Å; A290-A293 PolarHBondContact O-N 2.8Å; A293-Q295 VanDerWaalsContact C-N 3.33Å; A293-Q295 PolarHBondContact O-N 2.8Å; A293-K296 PolarHBondContact O-N 2.99Å; A293-L297 WeakPolarHBondContact O-CG 3.3Å; A293-L297 PolarHBondContact O-N 3.23Å
294A95.9Very high88.5Confident58 Ų58106.9 Ų106.948%0.47956%0.562SS.*Hα-helixtrans-61.5-39.1176.400000112.2A290 K291 L297 S298A290-A294 VanDerWaalsContact O-CB 3.25Å; A290-A294 WeakPolarHBondContact O-CB 3.41Å; A290-A294 PolarHBondContact O-N 2.66Å; K291-A294 PolarHBondContact O-N 2.81Å; A294-L297 PolarHBondContact O-N 2.86Å; A294-S298 WeakPolarHBondContact O-CB 3.36Å; A294-S298 PolarHBondContact O-N 3.23Å; A294-S298 PolarHBondContact O-OG 2.92Å
295Q95.4Very high87.1Confident127 Ų127109.4 Ų109.459%0.59358%0.578SS**Hα-helixtrans-59.4-52.7172.4-179.2-179.9-17.900110.9K291 L292 A293 L297 S298 E299K291-Q295 WeakPolarHBondContact O-CB 3.23Å; K291-Q295 PolarHBondContact O-N 3.24Å; L292-Q295 PolarHBondContact O-N 2.87Å; A293-Q295 VanDerWaalsContact C-N 3.33Å; A293-Q295 PolarHBondContact O-N 2.8Å; Q295-L297 VanDerWaalsContact C-N 3.33Å; Q295-L297 PolarHBondContact O-N 3.48Å; Q295-S298 CarbonylContact O-C 3.59Å; Q295-S298 PolarHBondContact O-N 3.28Å; Q295-S298 VanDerWaalsContact O-N 3.12Å; Q295-S298 PolarHBondContact O-OG 3.27Å; Q295-E299 PolarHBondContact O-N 3.42Å
296K93.6Very high85.8Confident140 Ų140106.3 Ų106.361%0.60958%0.58SS**Hα-helixtrans-59.8-40.2178.1-76-175.3174.4-175.50112.9L292 A293 E299 G300L292-K296 HydrophobicContact CD2-CD 3.94Å; L292-K296 HydrophobicContact CD2-CG 4.43Å; L292-K296 WeakPolarHBondContact O-CG 3.33Å; L292-K296 PolarHBondContact O-N 3.06Å; A293-K296 PolarHBondContact O-N 2.99Å; K296-E299 PolarHBondContact O-N 3.1Å; K296-G300 PolarHBondContact O-N 3.17Å
297L88.9Confident84.6Confident116 Ų116105.6 Ų105.661%0.60759%0.589SS**Hα-helixtrans-65.5-41.5174.1-69.3175.4000111.4A293 A294 Q295 E299 G300 L301A293-L297 WeakPolarHBondContact O-CG 3.3Å; A293-L297 PolarHBondContact O-N 3.23Å; A294-L297 PolarHBondContact O-N 2.86Å; Q295-L297 VanDerWaalsContact C-N 3.33Å; Q295-L297 PolarHBondContact O-N 3.48Å; L297-E299 PolarHBondContact O-N 3.46Å; L297-G300 PolarHBondContact O-N 3.43Å; L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 VanDerWaalsContact O-CD1 3.24Å; L297-L301 WeakPolarHBondContact O-CD1 3.37Å; L297-L301 PolarHBondContact O-N 3.34Å
298S87.3Confident83.3Confident63 Ų63110.6 Ų110.644%0.44161%0.605SS.*Hα-helixtrans-68.2-22.7176.178.50000113.9A294 Q295 K302A294-S298 WeakPolarHBondContact O-CB 3.36Å; A294-S298 PolarHBondContact O-N 3.23Å; A294-S298 PolarHBondContact O-OG 2.92Å; Q295-S298 CarbonylContact O-C 3.59Å; Q295-S298 PolarHBondContact O-N 3.28Å; Q295-S298 VanDerWaalsContact O-N 3.12Å; Q295-S298 PolarHBondContact O-OG 3.27Å; S298-K302 WeakPolarHBondContact O-CE 3.13Å
299E86.1Confident82Confident122 Ų122110.1 Ų110.157%0.5761%0.607SS**Hα-helixtrans-77.7-46.5171.5-170.1172.9176.500110.3Q295 K296 L297 L301 K302Q295-E299 PolarHBondContact O-N 3.42Å; K296-E299 PolarHBondContact O-N 3.1Å; L297-E299 PolarHBondContact O-N 3.46Å; E299-L301 PolarHBondContact O-N 3.28Å; E299-K302 WeakPolarHBondContact O-CB 3.32Å; E299-K302 PolarHBondContact O-N 3.48Å
300G75.3Confident80.7Confident35 Ų35108.5 Ų108.536%0.36161%0.608SS.*Hα-helixtrans-61.5-39173.500000114K296 L297 K302 I303K296-G300 PolarHBondContact O-N 3.17Å; L297-G300 PolarHBondContact O-N 3.43Å; G300-K302 PolarHBondContact O-N 3.26Å; G300-K302 VanDerWaalsContact O-N 3.14Å; G300-I303 VanDerWaalsContact O-CB 3.24Å; G300-I303 WeakPolarHBondContact O-CB 3.24Å; G300-I303 WeakPolarHBondContact O-CG1 3.46Å; G300-I303 PolarHBondContact O-N 3.18Å
301L64.4Low79.2Confident144 Ų144112.5 Ų112.575%0.75462%0.621SS**THydrogen-bonded Turntrans-66-12.7178.3-100.875000114.1L297 E299L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 VanDerWaalsContact O-CD1 3.24Å; L297-L301 WeakPolarHBondContact O-CD1 3.37Å; L297-L301 PolarHBondContact O-N 3.34Å; E299-L301 PolarHBondContact O-N 3.28Å
302K61.2Low77.5Confident170 Ų170109.9 Ų109.974%0.73963%0.631SS**THydrogen-bonded Turntrans-74.7-16.1170.1-64.3169.1-171.6173.10112.1S298 E299 G300 S304S298-K302 WeakPolarHBondContact O-CE 3.13Å; E299-K302 WeakPolarHBondContact O-CB 3.32Å; E299-K302 PolarHBondContact O-N 3.48Å; G300-K302 PolarHBondContact O-N 3.26Å; G300-K302 VanDerWaalsContact O-N 3.14Å; K302-S304 VanDerWaalsContact C-N 3.33Å; K302-S304 PolarHBondContact O-N 3.04Å; K302-S304 VanDerWaalsContact O-N 3.09Å
303I63.3Low76.1Confident130 Ų130106.7 Ų106.767%0.66762%0.619SS**SBendtrans-78.987.6169.1-50.6173.6000107.1G300 M305G300-I303 VanDerWaalsContact O-CB 3.24Å; G300-I303 WeakPolarHBondContact O-CB 3.24Å; G300-I303 WeakPolarHBondContact O-CG1 3.46Å; G300-I303 PolarHBondContact O-N 3.18Å; I303-M305 VanDerWaalsContact C-N 3.35Å; I303-M305 PolarHBondContact O-N 3.39Å
304S68.7Low74.3Confident110 Ų110109.9 Ų109.977%0.76964%0.636SS**  trans-65.993.4173.1-173.60000109.7K302 G306K302-S304 VanDerWaalsContact C-N 3.33Å; K302-S304 PolarHBondContact O-N 3.04Å; K302-S304 VanDerWaalsContact O-N 3.09Å; S304-G306 PolarHBondContact O-N 3.31Å
305M67.8Low72.4Confident171 Ų171113.8 Ų113.884%0.84265%0.646SS**  trans-64.4114.6159.9-63.9-158-53.200107.1I303I303-M305 VanDerWaalsContact C-N 3.35Å; I303-M305 PolarHBondContact O-N 3.39Å
306G72.7Confident70.7Confident61 Ų61111.7 Ų111.763%0.62965%0.651SS**  trans-55.9148.4172.500000110.4S304 Y308S304-G306 PolarHBondContact O-N 3.31Å; G306-Y308 PolarHBondContact O-N 3.43Å
307S71.8Confident69Low112 Ų112109.8 Ų109.878%0.78365%0.651SS**  trans-62.794.4179.653.60000110.4T309S307-T309 PolarHBondContact O-N 2.83Å
308Y71Confident67.6Low196 Ų196112.7 Ų112.777%0.76966%0.655SS**  trans-72.881.2171.1-174.5-103.6000108.9G306 P310G306-Y308 PolarHBondContact O-N 3.43Å; Y308-P310 HydrophobicContact CD1-CB 4.47Å; Y308-P310 HydrophobicContact CE1-CB 3.8Å; Y308-P310 VanDerWaalsContact O-CD 3.24Å; Y308-P310 WeakPolarHBondContact O-CD 3.23Å
309T71.3Confident66.4Low110 Ų110120.6 Ų120.668%0.67568%0.675SS**  trans-61.5113.4148.747.60000106.2S307 D311S307-T309 PolarHBondContact O-N 2.83Å; T309-D311 PolarHBondContact O-N 3.18Å
310P70.9Confident65.2Low94 Ų94122.2 Ų122.261%0.6168%0.683SS**  trans-59.2116.5166.725.8-31.9000106.5Y308 G312Y308-P310 HydrophobicContact CD1-CB 4.47Å; Y308-P310 HydrophobicContact CE1-CB 3.8Å; Y308-P310 VanDerWaalsContact O-CD 3.24Å; Y308-P310 WeakPolarHBondContact O-CD 3.23Å; P310-G312 PolarHBondContact O-N 2.98Å
311D66.4Low64.6Low144 Ų144126.1 Ų126.177%0.7770%0.699SS**  trans-58.4137.4180-179.330000109.4T309 G313T309-D311 PolarHBondContact O-N 3.18Å; D311-G313 PolarHBondContact O-N 2.8Å
312G62.1Low64.3Low74 Ų74125.5 Ų125.576%0.76369%0.692SS**  trans-71.826.9179.200000113.3P310P310-G312 PolarHBondContact O-N 2.98Å
313G67.4Low64.5Low20 Ų20124.5 Ų124.521%0.20670%0.695CS.*SBendtrans-68.6166.1179.600000112.6D311 M315 A316D311-G313 PolarHBondContact O-N 2.8Å; G313-M315 PolarHBondContact O-N 3.09Å; G313-A316 PolarHBondContact O-N 3.34Å; G313-A316 VanDerWaalsContact O-N 3.09Å
314P59.1Low64.4Low110 Ų110126.5 Ų126.571%0.71470%0.701SS**THydrogen-bonded Turntrans-65.21.4-165.424.8-35.4000116.2Y318P314-Y318 VanDerWaalsContact O-CD2 3.3Å; P314-Y318 WeakPolarHBondContact O-CD2 3.3Å; P314-Y318 VanDerWaalsContact O-CE2 3.23Å; P314-Y318 WeakPolarHBondContact O-CE2 3.16Å
315M56Low64Low140 Ų140124.7 Ų124.769%0.6970%0.7SS**THydrogen-bonded Turntrans-75.7-22169.9-73.4-96.864.100113.2G313 T317 Y318G313-M315 PolarHBondContact O-N 3.09Å; M315-T317 PolarHBondContact O-N 3.42Å; M315-Y318 HydrophobicContact CE-CD1 4.4Å; M315-Y318 HydrophobicContact CE-CD2 3.43Å; M315-Y318 VanDerWaalsContact CE-CD2 3.43Å; M315-Y318 HydrophobicContact CE-CE2 3.67Å; M315-Y318 HydrophobicContact CE-CG 3.82Å; M315-Y318 PolarHBondContact O-N 3.28Å
316A59.1Low63.5Low84 Ų84120.7 Ų120.769%0.69469%0.694SS**THydrogen-bonded Turntrans-62.3-29.8-178.900000113.4G313 Y318G313-A316 PolarHBondContact O-N 3.34Å; G313-A316 VanDerWaalsContact O-N 3.09Å; A316-Y318 VanDerWaalsContact C-N 3.29Å; A316-Y318 PolarHBondContact O-N 2.97Å
317T58.9Low62.7Low99 Ų99126.6 Ų126.661%0.60771%0.705SS**THydrogen-bonded Turntrans-77.5-6.5-174.8-28.60000114.3M315 R319M315-T317 PolarHBondContact O-N 3.42Å; T317-R319 VanDerWaalsContact C-N 3.28Å; T317-R319 PolarHBondContact O-N 3Å; T317-R319 VanDerWaalsContact O-N 3.16Å
318Y59Low61.6Low178 Ų178129.2 Ų129.270%0.69871%0.709SS**THydrogen-bonded Turntrans-80.710.3-166.8-85.4-93.8000116.2P314 M315 A316P314-Y318 VanDerWaalsContact O-CD2 3.3Å; P314-Y318 WeakPolarHBondContact O-CD2 3.3Å; P314-Y318 VanDerWaalsContact O-CE2 3.23Å; P314-Y318 WeakPolarHBondContact O-CE2 3.16Å; M315-Y318 HydrophobicContact CE-CD1 4.4Å; M315-Y318 HydrophobicContact CE-CD2 3.43Å; M315-Y318 VanDerWaalsContact CE-CD2 3.43Å; M315-Y318 HydrophobicContact CE-CE2 3.67Å; M315-Y318 HydrophobicContact CE-CG 3.82Å; M315-Y318 PolarHBondContact O-N 3.28Å; A316-Y318 VanDerWaalsContact C-N 3.29Å; A316-Y318 PolarHBondContact O-N 2.97Å
319R62.2Low60.9Low229 Ų229125.4 Ų125.486%0.86471%0.711SS**THydrogen-bonded Turntrans-139.113.8-179.8-81.2-163.5172.7-86.7-1.8117.2T317 V321T317-R319 VanDerWaalsContact C-N 3.28Å; T317-R319 PolarHBondContact O-N 3Å; T317-R319 VanDerWaalsContact O-N 3.16Å; R319-V321 PolarHBondContact O-N 3.16Å
320E60.9Low60.4Low156 Ų156124.4 Ų124.473%0.72971%0.709SS**  trans-8075.2163-73.2-177.1151.600110.1
321V61.8Low60Low117 Ų117127.1 Ų127.171%0.70971%0.713SS**  trans-85.4105.4162.2-179.50000106.5R319 D323R319-V321 PolarHBondContact O-N 3.16Å; V321-D323 PolarHBondContact O-N 2.91Å
322H59.6Low59.4Low130 Ų130128.9 Ų128.960%0.60272%0.717SS**  trans-76.6110.1173.4-72.2-102000109.5E324H322-E324 HydrophobicContact CB-CG 4.12Å; H322-E324 IonicContact ND1-OE1 3.48Å; H322-E324 PolarHBondContact O-N 2.78Å
323D64.2Low58.7Low149 Ų149136.7 Ų136.780%0.79774%0.741SS**  trans-74.671.5168.3-74.8-29.6000109.8V321 G325V321-D323 PolarHBondContact O-N 2.91Å; D323-G325 PolarHBondContact O-N 3.35Å
324E61.1Low58.2Low173 Ų173142.5 Ų142.581%0.80877%0.768SS**  trans-68.568.1169.9-66.3-61151.600110.1H322H322-E324 HydrophobicContact CB-CG 4.12Å; H322-E324 IonicContact ND1-OE1 3.48Å; H322-E324 PolarHBondContact O-N 2.78Å
325G61.1Low58.2Low71 Ų71144.2 Ų144.273%0.73277%0.771SS**  trans-147.915.8-165.600000115D323D323-G325 PolarHBondContact O-N 3.35Å
326A57.2Low58.3Low88 Ų88144.4 Ų144.473%0.72778%0.775SS**  trans-120.265.618000000111.9L328A326-L328 PolarHBondContact O-N 3.04Å
327H54.7Low58.3Low185 Ų185148 Ų14886%0.85678%0.78SS**  trans-64106168.1-103.6-84.3000109.9S329H327-S329 PolarHBondContact O-N 3.34Å; H327-S329 VanDerWaalsContact O-N 3.09Å
328L50.5Low58.2Low167 Ų167151.1 Ų151.187%0.87479%0.791SS**  trans-74.790.5168.8-65.9174.7000109.3A326 S330A326-L328 PolarHBondContact O-N 3.04Å; L328-S330 PolarHBondContact O-N 3.09Å
329S54.3Low58.2Low115 Ų115149.3 Ų149.380%0.80480%0.797SS**  trans-8297.9165.5-76.80000110.1H327H327-S329 PolarHBondContact O-N 3.34Å; H327-S329 VanDerWaalsContact O-N 3.09Å
330S61.1Low57.9Low90 Ų90143.6 Ų143.663%0.62979%0.792SS**  trans-82-175.5147.866.80000109.9L328L328-S330 PolarHBondContact O-N 3.09Å
331E64Low57.7Low151 Ų151142.6 Ų142.671%0.70680%0.797SS**  trans62.3113.9-179.8-89.265.3-178.300114.5
332E53.2Low57.3Low180 Ų180144.8 Ų144.884%0.84180%0.804SS**  92.39752.9-175.1171.3112.800112.1
333D47Very low57.1Low238 Ų238146.1 Ų146.1100%1.27382%0.823SS**  -168.70126.9-151.111.4000109.3

Retrieved 333 of 333 residues in 69.4 ms (Link to these results)