A0A077ZJE8_TRITR Loading...

C6 transcription factor (Mut3)

AlphaFold DB , UniProt , Accession A0A077ZJE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 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
1M62.8Low90.1Very high200 Ų20073 Ų7399%0.98540%0.395SS*.  0-450-164.7163.965.400112.7M3 A4M1-M3 PolarHBondContact O-N 3.24Å; M1-A4 WeakPolarHBondContact O-CB 3.33Å; M1-A4 PolarHBondContact O-N 3.44Å; M1-A4 VanDerWaalsContact O-N 3.16Å
2T75Confident90.8Very high43 Ų4372.6 Ų72.626%0.26441%0.409SS..Hα-helixtrans-56.3-42.9-176.1-42.60000114.6A4 P52 R56T2-A4 VanDerWaalsContact C-N 3.29Å; T2-A4 PolarHBondContact O-N 3.4Å; T2-P52 HydrophobicContact CG2-CB 3.91Å; T2-P52 WeakPolarHBondContact CG2-O 3.36Å; T2-R56 HydrophobicContact CG2-CB 4.31Å
3M86.6Confident91.4Very high70 Ų7068 Ų6835%0.34538%0.382SS..Hα-helixtrans-61.7-33.2178.8-63.7-66.9-73.300113.9M1 L5 G6 L7 L48 A49 P52M1-M3 PolarHBondContact O-N 3.24Å; M3-L5 VanDerWaalsContact C-N 3.3Å; M3-L5 PolarHBondContact O-N 3.22Å; M3-G6 PolarHBondContact O-N 3.16Å; M3-L7 WeakPolarHBondContact O-CG 3.44Å; M3-L7 PolarHBondContact O-N 3.01Å; M3-L48 HydrophobicContact CE-CB 4.46Å; M3-L48 HydrophobicContact CE-CD1 4.31Å; M3-L48 HydrophobicContact CE-CD2 4.1Å; M3-L48 HydrophobicContact CE-CG 3.58Å; M3-L48 HydrophobicContact SD-CD1 3.67Å; M3-L48 HydrophobicContact SD-CD2 4.45Å; M3-L48 HydrophobicContact SD-CG 3.62Å; M3-A49 HydrophobicContact CE-CB 4.43Å; M3-P52 HydrophobicContact SD-CB 3.84Å
4A91.6Very high91.9Very high60 Ų6069.5 Ų69.550%0.49639%0.386SS..Hα-helixtrans-64.3-36.2-17300000112.1M1 T2 S8M1-A4 WeakPolarHBondContact O-CB 3.33Å; M1-A4 PolarHBondContact O-N 3.44Å; M1-A4 VanDerWaalsContact O-N 3.16Å; T2-A4 VanDerWaalsContact C-N 3.29Å; T2-A4 PolarHBondContact O-N 3.4Å; A4-S8 WeakPolarHBondContact O-CB 3.48Å; A4-S8 PolarHBondContact O-N 3.41Å
5L93.6Very high92.3Very high75 Ų7568 Ų6839%0.39339%0.393SS..Hα-helixtrans-67.1-48.1176.8-64.8175.5000111.1M3 L7 S8 D9 M59M3-L5 VanDerWaalsContact C-N 3.3Å; M3-L5 PolarHBondContact O-N 3.22Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.41Å; L5-S8 PolarHBondContact O-N 3.1Å; L5-D9 WeakPolarHBondContact O-CB 3.4Å; L5-D9 PolarHBondContact O-N 2.95Å; L5-M59 HydrophobicContact CB-CE 3.91Å; L5-M59 HydrophobicContact CB-SD 4.27Å; L5-M59 HydrophobicContact CD1-CE 4.44Å
6G95.2Very high92.6Very high1 Ų165.7 Ų65.71%0.0139%0.388CS..Hα-helixtrans-59.4-43176.900000112.5M3 D9 I10M3-G6 PolarHBondContact O-N 3.16Å; G6-D9 PolarHBondContact O-N 3.27Å; G6-I10 WeakPolarHBondContact O-CB 3.32Å; G6-I10 WeakPolarHBondContact O-CD1 3.38Å; G6-I10 WeakPolarHBondContact O-CG1 3.43Å; G6-I10 PolarHBondContact O-N 3.2Å
7L96.4Very high92.9Very high86 Ų8661.8 Ų61.845%0.4537%0.365SS..Hα-helixtrans-66.3-39.3176.4-69175.4000112.9M3 L5 I10 K11 L45 L48M3-L7 WeakPolarHBondContact O-CG 3.44Å; M3-L7 PolarHBondContact O-N 3.01Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.41Å; L7-I10 PolarHBondContact O-N 3.47Å; L7-K11 WeakPolarHBondContact O-CB 3.27Å; L7-K11 PolarHBondContact O-N 2.82Å; L7-L45 HydrophobicContact CD2-CD2 3.67Å; L7-L48 HydrophobicContact CD2-CD2 4.19Å; L7-L48 HydrophobicContact CG-CD2 4.29Å
8S96.7Very high93.2Very high80 Ų8062.1 Ų62.156%0.55937%0.367SS*.Hα-helixtrans-63.1-45.3175.8-175.20000111.4A4 L5 K11 A12A4-S8 WeakPolarHBondContact O-CB 3.48Å; A4-S8 PolarHBondContact O-N 3.41Å; L5-S8 PolarHBondContact O-N 3.1Å; S8-K11 PolarHBondContact O-N 3.13Å; S8-A12 PolarHBondContact O-N 3.33Å
9D97.7Very high93.4Very high18 Ų1863.5 Ų63.510%0.09637%0.366CS..Hα-helixtrans-65.6-41.1177.417358.5000112L5 G6 K11 A12 Q13 R44 M59 R97L5-D9 WeakPolarHBondContact O-CB 3.4Å; L5-D9 PolarHBondContact O-N 2.95Å; G6-D9 PolarHBondContact O-N 3.27Å; D9-K11 VanDerWaalsContact C-N 3.34Å; D9-K11 PolarHBondContact O-N 2.88Å; D9-A12 PolarHBondContact O-N 3.37Å; D9-Q13 PolarHBondContact O-N 3.1Å; D9-R44 IonicContact OD2-CZ 3.81Å; D9-R44 IonicContact OD2-NH1 3.18Å; D9-R44 PolarHBondContact OD2-NH1 3.36Å; D9-R44 IonicContact OD2-NH2 2.75Å; D9-R44 PolarHBondContact OD2-NH2 2.93Å; D9-M59 HydrophobicContact CB-SD 4.07Å; D9-R97 IonicContact OD1-CZ 2.62Å; D9-R97 IonicContact OD1-NH2 3.99Å; D9-R97 PolarHBondContact OD1-NH2 3.32Å; D9-R97 IonicContact OD2-CZ 3.84Å; D9-R97 IonicContact OD2-NH1 3.77Å; D9-R97 IonicContact OD2-NH2 2.69Å; D9-R97 PolarHBondContact OD2-NH2 3.17Å
10I98.1Very high93.6Very high6 Ų673 Ų733%0.03140%0.396CS..Hα-helixtrans-58.5-46.3172-74.8165.5000111.1G6 L7 A12 Q13 M14 I41 R44 L45 L48G6-I10 WeakPolarHBondContact O-CB 3.32Å; G6-I10 WeakPolarHBondContact O-CD1 3.38Å; G6-I10 WeakPolarHBondContact O-CG1 3.43Å; G6-I10 PolarHBondContact O-N 3.2Å; L7-I10 PolarHBondContact O-N 3.47Å; I10-A12 VanDerWaalsContact C-N 3.29Å; I10-A12 PolarHBondContact O-N 2.99Å; I10-Q13 PolarHBondContact O-N 3.27Å; I10-M14 HydrophobicContact CG2-CG 4.37Å; I10-M14 HydrophobicContact CG2-SD 4.11Å; I10-M14 WeakPolarHBondContact O-CB 3.44Å; I10-M14 WeakPolarHBondContact O-CG 3.31Å; I10-M14 PolarHBondContact O-N 2.85Å; I10-I41 HydrophobicContact CG2-CG2 3.57Å; I10-R44 HydrophobicContact CD1-CG 4.22Å; I10-L45 HydrophobicContact CD1-CD2 3.55Å; I10-L45 HydrophobicContact CD1-CG 3.95Å; I10-L45 HydrophobicContact CG2-CD2 4.45Å; I10-L48 HydrophobicContact CD1-CD2 4.06Å
11K97.8Very high93.8Very high164 Ų16471.4 Ų71.471%0.71340%0.396SS*.Hα-helixtrans-60.4-40.7177.6-174.5179.2179.3-178.90111.5L7 S8 D9 G15L7-K11 WeakPolarHBondContact O-CB 3.27Å; L7-K11 PolarHBondContact O-N 2.82Å; S8-K11 PolarHBondContact O-N 3.13Å; D9-K11 VanDerWaalsContact C-N 3.34Å; D9-K11 PolarHBondContact O-N 2.88Å; K11-G15 PolarHBondContact O-N 3.26Å
12A98Very high95.4Very high68 Ų6864.6 Ų64.656%0.56236%0.362SS*.Hα-helixtrans-65-46.717600000111.9S8 D9 I10 M14 G15 G16S8-A12 PolarHBondContact O-N 3.33Å; D9-A12 PolarHBondContact O-N 3.37Å; I10-A12 VanDerWaalsContact C-N 3.29Å; I10-A12 PolarHBondContact O-N 2.99Å; A12-M14 PolarHBondContact O-N 2.65Å; A12-G15 PolarHBondContact O-N 3.46Å; A12-G16 PolarHBondContact O-N 3.15Å; A12-G16 VanDerWaalsContact O-N 3.07Å
13Q98.5Very high96.4Very high13 Ų1366.2 Ų66.26%0.06137%0.371CS..Hα-helixtrans-58.7-47.5176.2-170.5-168.3-5.400111.1D9 I10 G15 G16 L17 I41 E94D9-Q13 PolarHBondContact O-N 3.1Å; I10-Q13 PolarHBondContact O-N 3.27Å; Q13-G15 VanDerWaalsContact C-N 3.32Å; Q13-G15 PolarHBondContact O-N 3.24Å; Q13-G16 PolarHBondContact O-N 3.15Å; Q13-L17 HydrophobicContact CG-CD1 4.1Å; Q13-L17 WeakPolarHBondContact O-CG 3.14Å; Q13-L17 PolarHBondContact O-N 3.19Å; Q13-I41 HydrophobicContact CB-CD1 4.34Å; Q13-I41 HydrophobicContact CG-CD1 3.98Å; Q13-I41 VanDerWaalsContact OE1-CG1 3.32Å; Q13-E94 PolarHBondContact NE2-OE2 3.45Å
14M98.1Very high96.8Very high89 Ų8968.8 Ų68.844%0.43839%0.391SS..Hα-helixtrans-58.1-43.5177-72.9-176.471.900112I10 A12 G16 L17 V18 I41I10-M14 HydrophobicContact CG2-CG 4.37Å; I10-M14 HydrophobicContact CG2-SD 4.11Å; I10-M14 WeakPolarHBondContact O-CB 3.44Å; I10-M14 WeakPolarHBondContact O-CG 3.31Å; I10-M14 PolarHBondContact O-N 2.85Å; A12-M14 PolarHBondContact O-N 2.65Å; M14-G16 PolarHBondContact O-N 3.21Å; M14-L17 PolarHBondContact O-N 3.35Å; M14-L17 VanDerWaalsContact O-N 3.14Å; M14-V18 PolarHBondContact O-N 3.34Å; M14-I41 HydrophobicContact CG-CD1 3.71Å; M14-I41 HydrophobicContact CG-CG2 4.28Å; M14-I41 HydrophobicContact SD-CG2 4.32Å
15G98Very high96.9Very high47 Ų4768.4 Ų68.449%0.48539%0.393SS..Hα-helixtrans-63.5-28.6176.500000113.7K11 A12 Q13K11-G15 PolarHBondContact O-N 3.26Å; A12-G15 PolarHBondContact O-N 3.46Å; Q13-G15 VanDerWaalsContact C-N 3.32Å; Q13-G15 PolarHBondContact O-N 3.24Å
16G97.1Very high96.9Very high31 Ų3165.4 Ų65.432%0.3238%0.377SS..Hα-helixtrans-80.2-21.1173.800000114.6A12 Q13 M14 R90A12-G16 PolarHBondContact O-N 3.15Å; A12-G16 VanDerWaalsContact O-N 3.07Å; Q13-G16 PolarHBondContact O-N 3.15Å; M14-G16 PolarHBondContact O-N 3.21Å; G16-R90 PolarHBondContact O-NH2 3.08Å
17L98.2Very high96.8Very high0 Ų066.6 Ų66.60%039%0.39CS..Hα-helixtrans-92.2-42.1179.2-70172.9000112.5Q13 M14 N26 T34 Y37 L38 I41 W91 E94Q13-L17 HydrophobicContact CG-CD1 4.1Å; Q13-L17 WeakPolarHBondContact O-CG 3.14Å; Q13-L17 PolarHBondContact O-N 3.19Å; M14-L17 PolarHBondContact O-N 3.35Å; M14-L17 VanDerWaalsContact O-N 3.14Å; L17-N26 PolarHBondContact O-ND2 3.44Å; L17-T34 HydrophobicContact CB-CG2 4.48Å; L17-Y37 HydrophobicContact CD2-CD2 3.71Å; L17-Y37 HydrophobicContact CD2-CG 4.31Å; L17-L38 HydrophobicContact CD1-CD2 4.24Å; L17-I41 HydrophobicContact CD1-CD1 3.76Å; L17-W91 HydrophobicContact CD2-CZ3 4.41Å; L17-E94 HydrophobicContact CD2-CG 4.28Å
18V97.8Very high96.7Very high67 Ų6771 Ų7141%0.40641%0.405SS..SBendtrans-125.897.2-174.8-175.30000109.4M14 F22 L38M14-V18 PolarHBondContact O-N 3.34Å; V18-F22 HydrophobicContact CG1-CD1 4.11Å; V18-F22 HydrophobicContact CG1-CE1 4.02Å; V18-F22 HydrophobicContact CG1-CZ 4.45Å; V18-L38 HydrophobicContact CG2-CD1 3.96Å; V18-L38 HydrophobicContact CG2-CD2 4.1Å
19Y97.1Very high96.5Very high89 Ų8976.6 Ų76.635%0.34942%0.42SS..  trans-129.7171.1177.956.6-86.2000110.2G21 F22 G25 N26Y19-G21 PolarHBondContact O-N 3.36Å; Y19-F22 HydrophobicContact CD1-CB 3.75Å; Y19-F22 HydrophobicContact CD2-CB 4.26Å; Y19-F22 HydrophobicContact CE1-CB 3.6Å; Y19-F22 HydrophobicContact CE2-CB 4.13Å; Y19-F22 HydrophobicContact CG-CB 4.07Å; Y19-F22 VanDerWaalsContact CZ-CA 3.49Å; Y19-F22 WeakPolarHBondContact O-CB 3.48Å; Y19-F22 VanDerWaalsContact O-CD1 3.29Å; Y19-F22 WeakPolarHBondContact O-CD1 3.27Å; Y19-F22 PolarHBondContact O-N 2.74Å; Y19-G25 WeakPolarHBondContact OH-CA 3.47Å; Y19-N26 WeakPolarHBondContact CE1-OD1 3.28Å; Y19-N26 PolarHBondContact OH-N 3.07Å; Y19-N26 PolarHBondContact OH-OD1 2.95Å
20R97.6Very high96.5Very high252 Ų25278 Ų7895%0.95142%0.423SS*.THydrogen-bonded Turntrans-60113.8175.4-176-179.8-179.6-134.50.5110
21G97.1Very high96.4Very high40 Ų4080.1 Ų80.141%0.41244%0.435SS..THydrogen-bonded Turntrans92.510.1-178.900000115.1Y19 V23 T24 G25Y19-G21 PolarHBondContact O-N 3.36Å; G21-V23 PolarHBondContact O-N 3.06Å; G21-V23 VanDerWaalsContact O-N 3.11Å; G21-T24 PolarHBondContact O-N 3.23Å; G21-T24 PolarHBondContact O-OG1 3.06Å; G21-T24 VanDerWaalsContact O-OG1 3.07Å; G21-G25 PolarHBondContact O-N 3.2Å
22F96.8Very high96.4Very high58 Ų5874.8 Ų74.825%0.25443%0.427SS..Hα-helixtrans-58.2-27.8-177.581-80.6000114.8V18 Y19 T24 G25 N26 L31 T34V18-F22 HydrophobicContact CG1-CD1 4.11Å; V18-F22 HydrophobicContact CG1-CE1 4.02Å; V18-F22 HydrophobicContact CG1-CZ 4.45Å; Y19-F22 HydrophobicContact CD1-CB 3.75Å; Y19-F22 HydrophobicContact CD2-CB 4.26Å; Y19-F22 HydrophobicContact CE1-CB 3.6Å; Y19-F22 HydrophobicContact CE2-CB 4.13Å; Y19-F22 HydrophobicContact CG-CB 4.07Å; Y19-F22 VanDerWaalsContact CZ-CA 3.49Å; Y19-F22 WeakPolarHBondContact O-CB 3.48Å; Y19-F22 VanDerWaalsContact O-CD1 3.29Å; Y19-F22 WeakPolarHBondContact O-CD1 3.27Å; Y19-F22 PolarHBondContact O-N 2.74Å; F22-T24 PolarHBondContact O-N 3.39Å; F22-G25 PolarHBondContact O-N 3.36Å; F22-N26 WeakPolarHBondContact O-CB 3.37Å; F22-N26 VanDerWaalsContact O-CG 3.22Å; F22-N26 PolarHBondContact O-N 3.14Å; F22-L31 HydrophobicContact CE2-CD2 4.49Å; F22-T34 HydrophobicContact CD2-CG2 4.44Å; F22-T34 HydrophobicContact CE2-CG2 4.45Å
23V95.8Very high96.4Very high76 Ų7673 Ų7346%0.46141%0.408SS..Hα-helixtrans-62.6-44.7-180176.80000111.4G21 L31G21-V23 PolarHBondContact O-N 3.06Å; G21-V23 VanDerWaalsContact O-N 3.11Å; V23-L31 HydrophobicContact CB-CD2 4.44Å; V23-L31 HydrophobicContact CG1-CD1 4.16Å; V23-L31 HydrophobicContact CG1-CD2 4.23Å; V23-L31 HydrophobicContact CG2-CD2 4.48Å
24T95.3Very high96.4Very high124 Ų12472.6 Ų72.676%0.76141%0.406SS*.Hα-helixtrans-82.2-39.1176.150.50000111.3G21 F22 G27G21-T24 PolarHBondContact O-N 3.23Å; G21-T24 PolarHBondContact O-OG1 3.06Å; G21-T24 VanDerWaalsContact O-OG1 3.07Å; F22-T24 PolarHBondContact O-N 3.39Å; T24-G27 PolarHBondContact O-N 2.87Å
25G94.1Very high96.4Very high52 Ų5273.1 Ų73.154%0.53641%0.41SS..Hα-helixtrans-67.5-37.5-177.300000114.3Y19 G21 F22 G27Y19-G25 WeakPolarHBondContact OH-CA 3.47Å; G21-G25 PolarHBondContact O-N 3.2Å; F22-G25 PolarHBondContact O-N 3.36Å; G25-G27 VanDerWaalsContact C-N 3.34Å
26N94.1Very high96.4Very high13 Ų1372.5 Ų72.57%0.0739%0.393CS..SBendtrans-79-23.2174.5-61.6-3.6000111.8L17 Y19 F22 R30 T34 W91L17-N26 PolarHBondContact O-ND2 3.44Å; Y19-N26 WeakPolarHBondContact CE1-OD1 3.28Å; Y19-N26 PolarHBondContact OH-N 3.07Å; Y19-N26 PolarHBondContact OH-OD1 2.95Å; F22-N26 WeakPolarHBondContact O-CB 3.37Å; F22-N26 VanDerWaalsContact O-CG 3.22Å; F22-N26 PolarHBondContact O-N 3.14Å; N26-R30 HydrophobicContact CB-CB 4.36Å; N26-R30 WeakPolarHBondContact O-CB 3.39Å; N26-R30 WeakPolarHBondContact O-CG 3.36Å; N26-T34 PolarHBondContact ND2-OG1 2.88Å; N26-W91 HydrophobicContact CB-CH2 3.82Å; N26-W91 HydrophobicContact CB-CZ2 4.06Å
27G93.6Very high96.5Very high26 Ų2671 Ų7127%0.26838%0.378SS..  trans82.2146.7-175.100000113.4T24 G25 K29 R30T24-G27 PolarHBondContact O-N 2.87Å; G25-G27 VanDerWaalsContact C-N 3.34Å; G27-K29 VanDerWaalsContact C-N 3.28Å; G27-K29 PolarHBondContact O-N 3.46Å; G27-R30 PolarHBondContact O-N 3.34Å
28F92.6Very high96.5Very high178 Ų17873.2 Ų73.278%0.78139%0.389SS*.G310 helixtrans-52.9-42.2-174.8176.2-104.1000113.5R30 L31F28-R30 PolarHBondContact O-N 2.86Å; F28-R30 VanDerWaalsContact O-N 3.17Å; F28-L31 HydrophobicContact CD2-CD1 3.95Å; F28-L31 WeakPolarHBondContact O-CG 3.21Å; F28-L31 PolarHBondContact O-N 3.09Å
29K94.1Very high96.6Very high198 Ų19873.8 Ų73.886%0.86139%0.387SS*.G310 helixtrans-60.9-26.2-179.3-66.1-178.4179.9176.70113.1G27G27-K29 VanDerWaalsContact C-N 3.28Å; G27-K29 PolarHBondContact O-N 3.46Å
30R96.2Very high96.7Very high46 Ų4669.8 Ų69.817%0.17437%0.373CS..G310 helixtrans-94.70.1-178-66.5-62.4-173.1-175.92.9113.9N26 G27 F28 G32 D33 T34 E88N26-R30 HydrophobicContact CB-CB 4.36Å; N26-R30 WeakPolarHBondContact O-CB 3.39Å; N26-R30 WeakPolarHBondContact O-CG 3.36Å; G27-R30 PolarHBondContact O-N 3.34Å; F28-R30 PolarHBondContact O-N 2.86Å; F28-R30 VanDerWaalsContact O-N 3.17Å; R30-G32 PolarHBondContact O-N 3.49Å; R30-D33 WeakPolarHBondContact CD-OD2 3.14Å; R30-D33 IonicContact CZ-OD2 3.15Å; R30-D33 IonicContact NE-OD2 3.6Å; R30-D33 IonicContact NH1-OD2 2.88Å; R30-D33 PolarHBondContact NH1-OD2 3.3Å; R30-D33 PolarHBondContact O-N 2.85Å; R30-T34 WeakPolarHBondContact O-CB 3.3Å; R30-T34 PolarHBondContact O-N 3.42Å; R30-T34 PolarHBondContact O-OG1 3.33Å; R30-E88 IonicContact CZ-OE1 3.39Å; R30-E88 IonicContact CZ-OE2 2.74Å; R30-E88 IonicContact NH2-OE1 2.73Å; R30-E88 PolarHBondContact NH2-OE1 3.26Å; R30-E88 IonicContact NH2-OE2 3.17Å; R30-E88 PolarHBondContact NH2-OE2 3.39Å
31L96.5Very high96.7Very high52 Ų5258 Ų5827%0.27233%0.328SS..Hα-helixtrans-64.9-40.4178.8-64.6178.4000112F22 V23 F28 T34 L35F22-L31 HydrophobicContact CE2-CD2 4.49Å; V23-L31 HydrophobicContact CB-CD2 4.44Å; V23-L31 HydrophobicContact CG1-CD1 4.16Å; V23-L31 HydrophobicContact CG1-CD2 4.23Å; V23-L31 HydrophobicContact CG2-CD2 4.48Å; F28-L31 HydrophobicContact CD2-CD1 3.95Å; F28-L31 WeakPolarHBondContact O-CG 3.21Å; F28-L31 PolarHBondContact O-N 3.09Å; L31-T34 PolarHBondContact O-N 3.1Å; L31-L35 PolarHBondContact O-N 3.43Å
32G97.5Very high96.8Very high52 Ų5261.8 Ų61.854%0.53634%0.336SS..Hα-helixtrans-61.8-44.2173.900000112.3R30 L35 R36R30-G32 PolarHBondContact O-N 3.49Å; G32-L35 PolarHBondContact O-N 2.97Å; G32-R36 PolarHBondContact O-N 3.31Å
33D98.3Very high96.8Very high31 Ų3162.3 Ų62.317%0.16634%0.337CS..Hα-helixtrans-64.8-40.1174.6-70.8-33.9000112.1R30 L35 R36 Y37R30-D33 WeakPolarHBondContact CD-OD2 3.14Å; R30-D33 IonicContact CZ-OD2 3.15Å; R30-D33 IonicContact NE-OD2 3.6Å; R30-D33 IonicContact NH1-OD2 2.88Å; R30-D33 PolarHBondContact NH1-OD2 3.3Å; R30-D33 PolarHBondContact O-N 2.85Å; D33-L35 VanDerWaalsContact C-N 3.31Å; D33-L35 PolarHBondContact O-N 3.48Å; D33-R36 CarbonylContact O-C 3.12Å; D33-R36 WeakPolarHBondContact O-CA 3.3Å; D33-R36 WeakPolarHBondContact O-CB 3.39Å; D33-R36 PolarHBondContact O-N 3.38Å; D33-R36 IonicContact OD1-CZ 2.95Å; D33-R36 IonicContact OD1-NE 2.89Å; D33-R36 IonicContact OD1-NH2 3.61Å; D33-R36 PolarHBondContact OD1-NH2 2.8Å; D33-Y37 HydrophobicContact CB-CD2 4.49Å; D33-Y37 HydrophobicContact CB-CE2 3.8Å; D33-Y37 WeakPolarHBondContact O-CD2 3.49Å; D33-Y37 PolarHBondContact O-N 2.85Å
34T98.3Very high96.9Very high4 Ų458.8 Ų58.83%0.02532%0.316CS..Hα-helixtrans-58.9-44.5177.4-57.60000110.7L17 F22 N26 R30 L31 Y37 L38L17-T34 HydrophobicContact CB-CG2 4.48Å; F22-T34 HydrophobicContact CD2-CG2 4.44Å; F22-T34 HydrophobicContact CE2-CG2 4.45Å; N26-T34 PolarHBondContact ND2-OG1 2.88Å; R30-T34 WeakPolarHBondContact O-CB 3.3Å; R30-T34 PolarHBondContact O-N 3.42Å; R30-T34 PolarHBondContact O-OG1 3.33Å; L31-T34 PolarHBondContact O-N 3.1Å; T34-Y37 PolarHBondContact O-N 3.47Å; T34-L38 WeakPolarHBondContact O-CG 3.35Å; T34-L38 PolarHBondContact O-N 3.07Å; T34-L38 VanDerWaalsContact O-N 3.07Å
35L98.2Very high97Very high99 Ų9956.3 Ų56.352%0.51830%0.298SS..Hα-helixtrans-61.1-45173.1177.960.5000111.7L31 G32 D33 Y37 L38 Q39L31-L35 PolarHBondContact O-N 3.43Å; G32-L35 PolarHBondContact O-N 2.97Å; D33-L35 VanDerWaalsContact C-N 3.31Å; D33-L35 PolarHBondContact O-N 3.48Å; L35-Y37 VanDerWaalsContact C-N 3.31Å; L35-Y37 PolarHBondContact O-N 3.01Å; L35-L38 PolarHBondContact O-N 3.48Å; L35-Q39 WeakPolarHBondContact O-CG 3.45Å; L35-Q39 PolarHBondContact O-N 3.29Å
36R98.6Very high97.2Very high35 Ų3558.9 Ų58.913%0.13230%0.296CS..Hα-helixtrans-60.7-38.3176.9-177.5172.954.486.18.1112.2G32 D33 Q39 A40 E95 L105 G106G32-R36 PolarHBondContact O-N 3.31Å; D33-R36 CarbonylContact O-C 3.12Å; D33-R36 WeakPolarHBondContact O-CA 3.3Å; D33-R36 WeakPolarHBondContact O-CB 3.39Å; D33-R36 PolarHBondContact O-N 3.38Å; D33-R36 IonicContact OD1-CZ 2.95Å; D33-R36 IonicContact OD1-NE 2.89Å; D33-R36 IonicContact OD1-NH2 3.61Å; D33-R36 PolarHBondContact OD1-NH2 2.8Å; R36-Q39 PolarHBondContact O-N 3.32Å; R36-A40 PolarHBondContact O-N 3.06Å; R36-E95 IonicContact CZ-OE1 2.77Å; R36-E95 IonicContact CZ-OE2 2.68Å; R36-E95 IonicContact NH1-OE1 3.67Å; R36-E95 IonicContact NH1-OE2 3.66Å; R36-E95 PolarHBondContact NH1-OE2 3.04Å; R36-E95 VanDerWaalsContact NH2-CD 3.3Å; R36-E95 IonicContact NH2-OE1 3.72Å; R36-E95 PolarHBondContact NH2-OE1 3.49Å; R36-E95 IonicContact NH2-OE2 3.78Å; R36-E95 PolarHBondContact NH2-OE2 3.42Å; R36-E95 VanDerWaalsContact NH2-OE2 3.17Å; R36-L105 HydrophobicContact CG-CB 4.3Å; R36-L105 HydrophobicContact CG-CD1 4.41Å; R36-G106 PolarHBondContact NH1-O 3.38Å
37Y98.8Very high97.2Very high0 Ų062.9 Ų62.90%031%0.312CS..Hα-helixtrans-66.4-38.6175.4-58-38.1000112.3L17 D33 T34 L35 A40 I41 W91 E94 E95 V98L17-Y37 HydrophobicContact CD2-CD2 3.71Å; L17-Y37 HydrophobicContact CD2-CG 4.31Å; D33-Y37 HydrophobicContact CB-CD2 4.49Å; D33-Y37 HydrophobicContact CB-CE2 3.8Å; D33-Y37 WeakPolarHBondContact O-CD2 3.49Å; D33-Y37 PolarHBondContact O-N 2.85Å; T34-Y37 PolarHBondContact O-N 3.47Å; L35-Y37 VanDerWaalsContact C-N 3.31Å; L35-Y37 PolarHBondContact O-N 3.01Å; Y37-A40 VanDerWaalsContact O-CB 3.31Å; Y37-A40 WeakPolarHBondContact O-CB 3.44Å; Y37-A40 PolarHBondContact O-N 3.25Å; Y37-I41 WeakPolarHBondContact O-CG1 3.35Å; Y37-I41 PolarHBondContact O-N 3.41Å; Y37-W91 HydrophobicContact CD2-CZ3 4.42Å; Y37-W91 AromaticContact CE2-CE3 3.77Å; Y37-W91 HydrophobicContact CE2-CE3 3.77Å; Y37-W91 AromaticContact CE2-CZ3 3.91Å; Y37-W91 HydrophobicContact CE2-CZ3 3.91Å; Y37-E94 HydrophobicContact CD1-CB 3.93Å; Y37-E94 HydrophobicContact CD2-CB 3.97Å; Y37-E94 HydrophobicContact CD2-CG 4.32Å; Y37-E94 HydrophobicContact CE1-CB 3.65Å; Y37-E94 HydrophobicContact CE2-CB 3.7Å; Y37-E94 HydrophobicContact CE2-CG 4.25Å; Y37-E94 HydrophobicContact CG-CB 4.09Å; Y37-E95 VanDerWaalsContact OH-CD 3.28Å; Y37-E95 PolarHBondContact OH-OE1 3.22Å; Y37-V98 HydrophobicContact CD1-CG2 3.56Å; Y37-V98 HydrophobicContact CE1-CG2 3.92Å
38L98.7Very high97.3Very high45 Ų4561.7 Ų61.724%0.23630%0.3CS..Hα-helixtrans-65.1-41.3174.3-66.7169.6000111.7L17 V18 T34 L35 A40 I41 E42L17-L38 HydrophobicContact CD1-CD2 4.24Å; V18-L38 HydrophobicContact CG2-CD1 3.96Å; V18-L38 HydrophobicContact CG2-CD2 4.1Å; T34-L38 WeakPolarHBondContact O-CG 3.35Å; T34-L38 PolarHBondContact O-N 3.07Å; T34-L38 VanDerWaalsContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 3.48Å; L38-A40 VanDerWaalsContact C-N 3.26Å; L38-A40 PolarHBondContact O-N 2.97Å; L38-I41 HydrophobicContact CD2-CD1 4.39Å; L38-I41 WeakPolarHBondContact O-CB 3.42Å; L38-I41 PolarHBondContact O-N 3.05Å; L38-I41 VanDerWaalsContact O-N 3.12Å; L38-E42 PolarHBondContact O-N 3.41Å
39Q98.8Very high97.4Very high79 Ų7956.7 Ų56.737%0.36929%0.292SS..Hα-helixtrans-62.1-35.3172.2-68.6171.8-23.600112L35 R36 I41 E42 K43 L105L35-Q39 WeakPolarHBondContact O-CG 3.45Å; L35-Q39 PolarHBondContact O-N 3.29Å; R36-Q39 PolarHBondContact O-N 3.32Å; Q39-I41 VanDerWaalsContact C-N 3.32Å; Q39-E42 PolarHBondContact O-N 3.22Å; Q39-K43 WeakPolarHBondContact O-CG 3.42Å; Q39-K43 PolarHBondContact O-N 3.19Å; Q39-L105 HydrophobicContact CB-CD1 3.94Å
40A98.8Very high97.5Very high5 Ų553.2 Ų53.24%0.04129%0.287CS..Hα-helixtrans-64.4-38.1174.400000111.8R36 Y37 L38 K43 R44 V98 A102 L105R36-A40 PolarHBondContact O-N 3.06Å; Y37-A40 VanDerWaalsContact O-CB 3.31Å; Y37-A40 WeakPolarHBondContact O-CB 3.44Å; Y37-A40 PolarHBondContact O-N 3.25Å; L38-A40 VanDerWaalsContact C-N 3.26Å; L38-A40 PolarHBondContact O-N 2.97Å; A40-K43 PolarHBondContact O-N 3.41Å; A40-R44 WeakPolarHBondContact O-CB 3.39Å; A40-R44 PolarHBondContact O-N 2.96Å; A40-V98 HydrophobicContact CB-CG2 3.86Å; A40-A102 HydrophobicContact CB-CB 3.75Å; A40-L105 HydrophobicContact CB-CD1 3.84Å
41I98.6Very high97.5Very high5 Ų554.2 Ų54.23%0.02630%0.295CS..Hα-helixtrans-64.5-43.8174.8-70.5169.8000111.2I10 Q13 M14 L17 Y37 L38 Q39 K43 R44 L45I10-I41 HydrophobicContact CG2-CG2 3.57Å; Q13-I41 HydrophobicContact CB-CD1 4.34Å; Q13-I41 HydrophobicContact CG-CD1 3.98Å; Q13-I41 VanDerWaalsContact OE1-CG1 3.32Å; M14-I41 HydrophobicContact CG-CD1 3.71Å; M14-I41 HydrophobicContact CG-CG2 4.28Å; M14-I41 HydrophobicContact SD-CG2 4.32Å; L17-I41 HydrophobicContact CD1-CD1 3.76Å; Y37-I41 WeakPolarHBondContact O-CG1 3.35Å; Y37-I41 PolarHBondContact O-N 3.41Å; L38-I41 HydrophobicContact CD2-CD1 4.39Å; L38-I41 WeakPolarHBondContact O-CB 3.42Å; L38-I41 PolarHBondContact O-N 3.05Å; L38-I41 VanDerWaalsContact O-N 3.12Å; Q39-I41 VanDerWaalsContact C-N 3.32Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 3.24Å; I41-R44 WeakPolarHBondContact O-CB 3.49Å; I41-R44 PolarHBondContact O-N 3.09Å; I41-R44 VanDerWaalsContact O-N 3.16Å; I41-L45 HydrophobicContact CG2-CD1 4.34Å; I41-L45 WeakPolarHBondContact O-CG 3.46Å; I41-L45 PolarHBondContact O-N 3.33Å
42E98.3Very high97.4Very high120 Ų12053.2 Ų53.256%0.56129%0.292SS*.Hα-helixtrans-58.4-46.7174.8-69177.3163.500111.2L38 Q39 R44 L45 E46L38-E42 PolarHBondContact O-N 3.41Å; Q39-E42 PolarHBondContact O-N 3.22Å; E42-R44 VanDerWaalsContact C-N 3.28Å; E42-R44 PolarHBondContact O-N 3.42Å; E42-L45 WeakPolarHBondContact O-CB 3.48Å; E42-L45 PolarHBondContact O-N 3.24Å; E42-L45 VanDerWaalsContact O-N 3.14Å; E42-E46 PolarHBondContact O-N 3.25Å; E42-E46 VanDerWaalsContact O-N 3.1Å
43K98.2Very high97.3Very high68 Ų6857.3 Ų57.330%0.29630%0.297SS..Hα-helixtrans-64.3-32.9176.4-68.5-70161.8-138.20113Q39 A40 I41 E46 K47 A102Q39-K43 WeakPolarHBondContact O-CG 3.42Å; Q39-K43 PolarHBondContact O-N 3.19Å; A40-K43 PolarHBondContact O-N 3.41Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 3.24Å; K43-E46 IonicContact NZ-OE1 2.7Å; K43-E46 PolarHBondContact NZ-OE1 3.41Å; K43-E46 IonicContact NZ-OE2 2.78Å; K43-E46 PolarHBondContact NZ-OE2 3.22Å; K43-K47 WeakPolarHBondContact O-CG 3.42Å; K43-K47 PolarHBondContact O-N 3.27Å; K43-A102 HydrophobicContact CB-CB 3.95Å
44R98.1Very high97.2Very high2 Ų262.9 Ų62.91%0.00832%0.316CS..Hα-helixtrans-65.9-44.5172.1-172-179.2175.8-167.82.1111.4D9 I10 A40 I41 E42 E46 K47 L48 D55 F101D9-R44 IonicContact OD2-CZ 3.81Å; D9-R44 IonicContact OD2-NH1 3.18Å; D9-R44 PolarHBondContact OD2-NH1 3.36Å; D9-R44 IonicContact OD2-NH2 2.75Å; D9-R44 PolarHBondContact OD2-NH2 2.93Å; I10-R44 HydrophobicContact CD1-CG 4.22Å; A40-R44 WeakPolarHBondContact O-CB 3.39Å; A40-R44 PolarHBondContact O-N 2.96Å; I41-R44 WeakPolarHBondContact O-CB 3.49Å; I41-R44 PolarHBondContact O-N 3.09Å; I41-R44 VanDerWaalsContact O-N 3.16Å; E42-R44 VanDerWaalsContact C-N 3.28Å; E42-R44 PolarHBondContact O-N 3.42Å; R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E46 PolarHBondContact O-N 3.27Å; R44-K47 PolarHBondContact O-N 2.87Å; R44-L48 WeakPolarHBondContact O-CB 3.45Å; R44-L48 PolarHBondContact O-N 2.84Å; R44-D55 WeakPolarHBondContact CG-OD1 3.34Å; R44-D55 IonicContact CZ-OD1 2.69Å; R44-D55 IonicContact CZ-OD2 2.79Å; R44-D55 IonicContact NE-OD1 3.63Å; R44-D55 PolarHBondContact NE-OD1 3Å; R44-D55 IonicContact NE-OD2 2.81Å; R44-D55 IonicContact NH2-OD1 3.94Å; R44-D55 IonicContact NH2-OD2 3.92Å; R44-D55 PolarHBondContact NH2-OD2 3.41Å; R44-F101 HydrophobicContact CB-CB 3.85Å; R44-F101 HydrophobicContact CB-CG 4.24Å; R44-F101 HydrophobicContact CG-CB 3.92Å; R44-F101 HydrophobicContact CG-CD1 3.64Å; R44-F101 HydrophobicContact CG-CE1 4.28Å; R44-F101 HydrophobicContact CG-CG 3.78Å; R44-F101 VanDerWaalsContact NE-CE1 3.35Å
45L97.6Very high97.2Very high72 Ų7263.1 Ų63.138%0.37732%0.317SS..Hα-helixtrans-59.2-44178.3-75.2167.3000111.8L7 I10 I41 E42 L48 A49L7-L45 HydrophobicContact CD2-CD2 3.67Å; I10-L45 HydrophobicContact CD1-CD2 3.55Å; I10-L45 HydrophobicContact CD1-CG 3.95Å; I10-L45 HydrophobicContact CG2-CD2 4.45Å; I41-L45 HydrophobicContact CG2-CD1 4.34Å; I41-L45 WeakPolarHBondContact O-CG 3.46Å; I41-L45 PolarHBondContact O-N 3.33Å; E42-L45 WeakPolarHBondContact O-CB 3.48Å; E42-L45 PolarHBondContact O-N 3.24Å; E42-L45 VanDerWaalsContact O-N 3.14Å; L45-L48 PolarHBondContact O-N 2.94Å; L45-A49 PolarHBondContact O-N 2.94Å
46E96.5Very high97.1Very high106 Ų10663 Ų6350%0.49531%0.31SS..Hα-helixtrans-56.6-50.7174-69170.9-161.700111.2E42 K43 R44E42-E46 PolarHBondContact O-N 3.25Å; E42-E46 VanDerWaalsContact O-N 3.1Å; K43-E46 IonicContact NZ-OE1 2.7Å; K43-E46 PolarHBondContact NZ-OE1 3.41Å; K43-E46 IonicContact NZ-OE2 2.78Å; K43-E46 PolarHBondContact NZ-OE2 3.22Å; R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E46 PolarHBondContact O-N 3.27Å
47K95.7Very high97.1Very high97 Ų9763.8 Ų63.842%0.42232%0.324SS..Hα-helixtrans-71.9-32.9-177.4-71.3178.4-175.5171.60113.4K43 R44 A49 V50 D51 F101K43-K47 WeakPolarHBondContact O-CG 3.42Å; K43-K47 PolarHBondContact O-N 3.27Å; R44-K47 PolarHBondContact O-N 2.87Å; K47-A49 VanDerWaalsContact C-N 3.26Å; K47-A49 PolarHBondContact O-N 3.31Å; K47-V50 PolarHBondContact O-N 2.96Å; K47-D51 PolarHBondContact O-N 3.22Å; K47-F101 PolarHBondContact NZ-O 3.12Å
48L95.7Very high97Very high1 Ų164.9 Ų64.91%0.00533%0.329CS..Hα-helixtrans-60.7-38179.6173.659.6000110.8M3 L7 I10 R44 L45 V50 P52 D55M3-L48 HydrophobicContact CE-CB 4.46Å; M3-L48 HydrophobicContact CE-CD1 4.31Å; M3-L48 HydrophobicContact CE-CD2 4.1Å; M3-L48 HydrophobicContact CE-CG 3.58Å; M3-L48 HydrophobicContact SD-CD1 3.67Å; M3-L48 HydrophobicContact SD-CD2 4.45Å; M3-L48 HydrophobicContact SD-CG 3.62Å; L7-L48 HydrophobicContact CD2-CD2 4.19Å; L7-L48 HydrophobicContact CG-CD2 4.29Å; I10-L48 HydrophobicContact CD1-CD2 4.06Å; R44-L48 WeakPolarHBondContact O-CB 3.45Å; R44-L48 PolarHBondContact O-N 2.84Å; L45-L48 PolarHBondContact O-N 2.94Å; L48-V50 VanDerWaalsContact C-N 3.29Å; L48-V50 PolarHBondContact O-N 3.41Å; L48-P52 HydrophobicContact CD1-CB 4.3Å; L48-D55 HydrophobicContact CD1-CB 3.7Å
49A94.1Very high97Very high74 Ų7462.9 Ų62.961%0.61232%0.318SS*.Hα-helixtrans-68.1-27174.900000113.5M3 L45 K47M3-A49 HydrophobicContact CE-CB 4.43Å; L45-A49 PolarHBondContact O-N 2.94Å; K47-A49 VanDerWaalsContact C-N 3.26Å; K47-A49 PolarHBondContact O-N 3.31Å
50V95.8Very high96.9Very high124 Ų12462.9 Ų62.975%0.75232%0.32SS*.Hα-helixtrans-88.9-46.2-177.7178.40000111.9K47 L48K47-V50 PolarHBondContact O-N 2.96Å; L48-V50 VanDerWaalsContact C-N 3.29Å; L48-V50 PolarHBondContact O-N 3.41Å
51D95.5Very high96.9Very high67 Ų6767.1 Ų67.136%0.35834%0.338SS..  trans-138.478.4-176-172.1-8.9000111.5K47 H53 R54 D55K47-D51 PolarHBondContact O-N 3.22Å; D51-H53 PolarHBondContact O-N 2.75Å; D51-H53 PolarHBondContact OD1-N 2.82Å; D51-R54 HydrophobicContact CB-CB 4.26Å; D51-R54 PolarHBondContact O-N 3.35Å; D51-R54 WeakPolarHBondContact OD1-CB 3.41Å; D51-R54 PolarHBondContact OD1-N 2.97Å; D51-R54 WeakPolarHBondContact OD2-CB 3.4Å; D51-D55 PolarHBondContact O-N 3.44Å
52P95.6Very high96.9Very high32 Ų3266.9 Ų66.921%0.20834%0.336CS..Hα-helixtrans-68.7-19.4-179.726.7-35.2000113.7T2 M3 L48 R56T2-P52 HydrophobicContact CG2-CB 3.91Å; T2-P52 WeakPolarHBondContact CG2-O 3.36Å; M3-P52 HydrophobicContact SD-CB 3.84Å; L48-P52 HydrophobicContact CD1-CB 4.3Å; P52-R56 WeakPolarHBondContact O-CB 3.41Å; P52-R56 PolarHBondContact O-N 3.32Å; P52-R56 VanDerWaalsContact O-N 3.13Å
53H95.7Very high96.9Very high137 Ų13764 Ų6463%0.63432%0.323SS*.Hα-helixtrans-74.7-44.1177.9-71.6-70.7000111.2D51 R56 A57D51-H53 PolarHBondContact O-N 2.75Å; D51-H53 PolarHBondContact OD1-N 2.82Å; H53-R56 PolarHBondContact O-N 2.86Å; H53-A57 PolarHBondContact O-N 3.39Å
54R96.3Very high96.9Very high148 Ų14865.5 Ų65.556%0.55834%0.335SS*.Hα-helixtrans-63.8-42173.6-179.1175.6179.9144.80.2112.1D51 R56 A57 Q58D51-R54 HydrophobicContact CB-CB 4.26Å; D51-R54 PolarHBondContact O-N 3.35Å; D51-R54 WeakPolarHBondContact OD1-CB 3.41Å; D51-R54 PolarHBondContact OD1-N 2.97Å; D51-R54 WeakPolarHBondContact OD2-CB 3.4Å; R54-R56 VanDerWaalsContact C-N 3.34Å; R54-R56 PolarHBondContact O-N 3.28Å; R54-A57 PolarHBondContact O-N 3.06Å; R54-Q58 PolarHBondContact O-N 2.96Å; R54-Q58 VanDerWaalsContact O-N 3.08Å
55D97.7Very high97Very high10 Ų1065.6 Ų65.65%0.05334%0.335CS..Hα-helixtrans-56.8-50.1175.1-175.583.1000110.8R44 L48 D51 A57 Q58 M59 F101R44-D55 WeakPolarHBondContact CG-OD1 3.34Å; R44-D55 IonicContact CZ-OD1 2.69Å; R44-D55 IonicContact CZ-OD2 2.79Å; R44-D55 IonicContact NE-OD1 3.63Å; R44-D55 PolarHBondContact NE-OD1 3Å; R44-D55 IonicContact NE-OD2 2.81Å; R44-D55 IonicContact NH2-OD1 3.94Å; R44-D55 IonicContact NH2-OD2 3.92Å; R44-D55 PolarHBondContact NH2-OD2 3.41Å; L48-D55 HydrophobicContact CD1-CB 3.7Å; D51-D55 PolarHBondContact O-N 3.44Å; D55-A57 VanDerWaalsContact C-N 3.32Å; D55-A57 PolarHBondContact O-N 3.45Å; D55-Q58 PolarHBondContact O-N 3.06Å; D55-Q58 VanDerWaalsContact O-N 3.14Å; D55-M59 WeakPolarHBondContact O-CB 3.34Å; D55-M59 PolarHBondContact O-N 3.34Å; D55-F101 WeakPolarHBondContact OD1-CD1 3.47Å; D55-F101 WeakPolarHBondContact OD1-CE1 3.33Å
56R96.8Very high97Very high97 Ų9765 Ų6537%0.36633%0.33SS..Hα-helixtrans-57.4-43.4177.8-177.1174.8-177.4131.93.9112.4T2 P52 H53 R54 Q58 M59 L60T2-R56 HydrophobicContact CG2-CB 4.31Å; P52-R56 WeakPolarHBondContact O-CB 3.41Å; P52-R56 PolarHBondContact O-N 3.32Å; P52-R56 VanDerWaalsContact O-N 3.13Å; H53-R56 PolarHBondContact O-N 2.86Å; R54-R56 VanDerWaalsContact C-N 3.34Å; R54-R56 PolarHBondContact O-N 3.28Å; R56-Q58 VanDerWaalsContact C-N 3.32Å; R56-Q58 PolarHBondContact O-N 3.22Å; R56-M59 PolarHBondContact O-N 3.47Å; R56-L60 WeakPolarHBondContact O-CG 3.19Å; R56-L60 PolarHBondContact O-N 2.87Å
57A97.3Very high97.1Very high51 Ų5165.1 Ų65.142%0.42133%0.331SS..Hα-helixtrans-63.4-37.2179.300000112.6H53 R54 D55H53-A57 PolarHBondContact O-N 3.39Å; R54-A57 PolarHBondContact O-N 3.06Å; D55-A57 VanDerWaalsContact C-N 3.32Å; D55-A57 PolarHBondContact O-N 3.45Å
58Q98.2Very high97.2Very high23 Ų2362 Ų6211%0.10732%0.323CS..Hα-helixtrans-75.5-38.1175.1-72.4-169.2-21.900112.6R54 D55 R56 L60 K61 V62 Y100 F101R54-Q58 PolarHBondContact O-N 2.96Å; R54-Q58 VanDerWaalsContact O-N 3.08Å; D55-Q58 PolarHBondContact O-N 3.06Å; D55-Q58 VanDerWaalsContact O-N 3.14Å; R56-Q58 VanDerWaalsContact C-N 3.32Å; R56-Q58 PolarHBondContact O-N 3.22Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; Q58-L60 PolarHBondContact O-N 3.38Å; Q58-K61 WeakPolarHBondContact O-CB 3.29Å; Q58-K61 PolarHBondContact O-N 3.23Å; Q58-K61 VanDerWaalsContact O-N 3.08Å; Q58-V62 PolarHBondContact O-N 3.14Å; Q58-V62 VanDerWaalsContact O-N 3.16Å; Q58-Y100 HydrophobicContact CB-CG 4.21Å; Q58-Y100 HydrophobicContact CG-CD1 4.16Å; Q58-Y100 HydrophobicContact CG-CG 4.19Å; Q58-Y100 PolarHBondContact NE2-O 3.04Å; Q58-Y100 PolarHBondContact OE1-O 3.07Å; Q58-F101 HydrophobicContact CB-CD1 4.47Å; Q58-F101 HydrophobicContact CB-CE1 3.72Å; Q58-F101 HydrophobicContact CB-CZ 3.98Å
59M97.4Very high97.4Very high3 Ų364.3 Ų64.32%0.01533%0.332CS..Hα-helixtrans-58-43.8175-174-172.181.500111.4L5 D9 D55 R56 K61 V62 E63 F101L5-M59 HydrophobicContact CB-CE 3.91Å; L5-M59 HydrophobicContact CB-SD 4.27Å; L5-M59 HydrophobicContact CD1-CE 4.44Å; D9-M59 HydrophobicContact CB-SD 4.07Å; D55-M59 WeakPolarHBondContact O-CB 3.34Å; D55-M59 PolarHBondContact O-N 3.34Å; R56-M59 PolarHBondContact O-N 3.47Å; M59-K61 PolarHBondContact O-N 3.18Å; M59-V62 PolarHBondContact O-N 3.34Å; M59-V62 VanDerWaalsContact O-N 3.08Å; M59-E63 WeakPolarHBondContact CE-OE1 3.35Å; M59-E63 HydrophobicContact CG-CG 4.41Å; M59-E63 WeakPolarHBondContact O-CG 3.26Å; M59-E63 PolarHBondContact O-N 2.84Å; M59-F101 HydrophobicContact CB-CZ 4.5Å
60L97.8Very high97.6Very high78 Ų7864.9 Ų64.941%0.40832%0.322SS..Hα-helixtrans-57.6-34.5175.8-73.2171.1000112.9R56 Q58 N64R56-L60 WeakPolarHBondContact O-CG 3.19Å; R56-L60 PolarHBondContact O-N 2.87Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; Q58-L60 PolarHBondContact O-N 3.38Å; L60-N64 PolarHBondContact O-N 3.05Å; L60-N64 VanDerWaalsContact O-N 3.09Å; L60-N64 PolarHBondContact O-ND2 2.89Å
61K98.5Very high97.7Very high94 Ų9464.5 Ų64.541%0.40931%0.312SS..Hα-helixtrans-69.5-42.9175.9-62.3-177.5-177.6-173.80111.6Q58 M59 N64 V65 Y100Q58-K61 WeakPolarHBondContact O-CB 3.29Å; Q58-K61 PolarHBondContact O-N 3.23Å; Q58-K61 VanDerWaalsContact O-N 3.08Å; M59-K61 PolarHBondContact O-N 3.18Å; K61-N64 PolarHBondContact O-N 3.49Å; K61-V65 PolarHBondContact O-N 3.04Å; K61-Y100 HydrophobicContact CB-CE2 3.83Å; K61-Y100 HydrophobicContact CD-CE1 4.13Å; K61-Y100 HydrophobicContact CD-CE2 4.25Å; K61-Y100 WeakPolarHBondContact CD-OH 3.24Å
62V98.6Very high97.8Very high0 Ų062.5 Ų62.50%030%0.3CS..Hα-helixtrans-62.8-45.1175.6177.30000110.9Q58 M59 N64 V65 Q66 I93 L96 R97 Y100 F101Q58-V62 PolarHBondContact O-N 3.14Å; Q58-V62 VanDerWaalsContact O-N 3.16Å; M59-V62 PolarHBondContact O-N 3.34Å; M59-V62 VanDerWaalsContact O-N 3.08Å; V62-N64 VanDerWaalsContact C-N 3.34Å; V62-N64 PolarHBondContact O-N 2.91Å; V62-V65 PolarHBondContact O-N 3.11Å; V62-Q66 HydrophobicContact CG1-CG 4.23Å; V62-Q66 WeakPolarHBondContact O-CG 3.43Å; V62-Q66 PolarHBondContact O-N 3.22Å; V62-I93 HydrophobicContact CG1-CG2 4.4Å; V62-L96 HydrophobicContact CG2-CD2 4.48Å; V62-R97 HydrophobicContact CG1-CG 3.92Å; V62-R97 HydrophobicContact CG2-CG 4.07Å; V62-Y100 HydrophobicContact CG2-CD2 3.78Å; V62-Y100 HydrophobicContact CG2-CE2 4.24Å; V62-F101 HydrophobicContact CG2-CE2 4.18Å
63E98.2Very high97.9Very high59 Ų5962.3 Ų62.328%0.27630%0.297SS..Hα-helixtrans-58.7-43.9177.4-74.4177.2171.100111.8M59 V65 Q66 Q67M59-E63 WeakPolarHBondContact CE-OE1 3.35Å; M59-E63 HydrophobicContact CG-CG 4.41Å; M59-E63 WeakPolarHBondContact O-CG 3.26Å; M59-E63 PolarHBondContact O-N 2.84Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 PolarHBondContact O-N 3.47Å; E63-Q66 PolarHBondContact O-N 3.25Å; E63-Q67 WeakPolarHBondContact O-CB 3.4Å; E63-Q67 VanDerWaalsContact O-CG 3.28Å; E63-Q67 WeakPolarHBondContact O-CG 3.31Å; E63-Q67 PolarHBondContact O-N 3.19Å
64N98.6Very high98Very high101 Ų10160.1 Ų60.154%0.5429%0.29SS..Hα-helixtrans-58.9-43.8176.7-72.6-21.9000112L60 K61 V62 A68L60-N64 PolarHBondContact O-N 3.05Å; L60-N64 VanDerWaalsContact O-N 3.09Å; L60-N64 PolarHBondContact O-ND2 2.89Å; K61-N64 PolarHBondContact O-N 3.49Å; V62-N64 VanDerWaalsContact C-N 3.34Å; V62-N64 PolarHBondContact O-N 2.91Å; N64-A68 PolarHBondContact O-N 3.18Å; N64-A68 VanDerWaalsContact O-N 3.09Å
65V98.7Very high98Very high4 Ų461.2 Ų61.22%0.02430%0.298CS..Hα-helixtrans-68.3-41.9177.5176.60000111.2K61 V62 E63 Q67 A68 W69 I93 L96 D113 I116K61-V65 PolarHBondContact O-N 3.04Å; V62-V65 PolarHBondContact O-N 3.11Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 PolarHBondContact O-N 3.47Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-Q67 PolarHBondContact O-N 3.23Å; V65-A68 PolarHBondContact O-N 3.35Å; V65-W69 WeakPolarHBondContact O-CB 3.49Å; V65-W69 PolarHBondContact O-N 3.21Å; V65-I93 HydrophobicContact CG1-CD1 4.3Å; V65-I93 HydrophobicContact CG1-CG1 3.95Å; V65-L96 HydrophobicContact CB-CD2 4.25Å; V65-L96 HydrophobicContact CG1-CD2 4.42Å; V65-L96 HydrophobicContact CG2-CD2 3.92Å; V65-D113 HydrophobicContact CG2-CB 3.67Å; V65-I116 HydrophobicContact CG1-CB 4.07Å; V65-I116 HydrophobicContact CG1-CD1 3.93Å; V65-I116 HydrophobicContact CG1-CG2 3.67Å
66Q98.5Very high97.9Very high58 Ų5861.6 Ų61.627%0.27130%0.3SS..Hα-helixtrans-62.5-39.8177-75.4177.7-40.900112.2V62 E63 W69 Q70 I93V62-Q66 HydrophobicContact CG1-CG 4.23Å; V62-Q66 WeakPolarHBondContact O-CG 3.43Å; V62-Q66 PolarHBondContact O-N 3.22Å; E63-Q66 PolarHBondContact O-N 3.25Å; Q66-W69 PolarHBondContact O-N 3.01Å; Q66-Q70 WeakPolarHBondContact O-CB 3.47Å; Q66-Q70 PolarHBondContact O-N 3.38Å; Q66-I93 HydrophobicContact CG-CD1 4.36Å; Q66-I93 HydrophobicContact CG-CG2 3.89Å
67Q98.6Very high97.9Very high109 Ų10960.7 Ų60.751%0.50931%0.307SS..Hα-helixtrans-64.4-45.2175-72.7174.123.100111.5E63 V65 W69 Q70 Q71E63-Q67 WeakPolarHBondContact O-CB 3.4Å; E63-Q67 VanDerWaalsContact O-CG 3.28Å; E63-Q67 WeakPolarHBondContact O-CG 3.31Å; E63-Q67 PolarHBondContact O-N 3.19Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-Q67 PolarHBondContact O-N 3.23Å; Q67-W69 VanDerWaalsContact C-N 3.34Å; Q67-W69 PolarHBondContact O-N 3.48Å; Q67-Q70 PolarHBondContact O-N 3.22Å; Q67-Q71 VanDerWaalsContact O-CG 3.32Å; Q67-Q71 WeakPolarHBondContact O-CG 3.36Å; Q67-Q71 PolarHBondContact O-N 3.08Å
68A98.6Very high97.8Very high32 Ų3263 Ų6326%0.26432%0.318SS..Hα-helixtrans-60-45.5175.300000111.3N64 V65 Q71 W72 L117 M120N64-A68 PolarHBondContact O-N 3.18Å; N64-A68 VanDerWaalsContact O-N 3.09Å; V65-A68 PolarHBondContact O-N 3.35Å; A68-Q71 PolarHBondContact O-N 2.61Å; A68-W72 WeakPolarHBondContact O-CB 3.28Å; A68-W72 PolarHBondContact O-N 3.42Å; A68-L117 HydrophobicContact CB-CD2 3.71Å; A68-M120 HydrophobicContact CB-CE 4.16Å
69W98.6Very high97.6Very high49 Ų4965.7 Ų65.719%0.18634%0.344CS..Hα-helixtrans-59.9-45.5175.5170.764.8000112.7V65 Q66 Q67 Q71 W72 I73 I89 R90 I93 M120V65-W69 WeakPolarHBondContact O-CB 3.49Å; V65-W69 PolarHBondContact O-N 3.21Å; Q66-W69 PolarHBondContact O-N 3.01Å; Q67-W69 VanDerWaalsContact C-N 3.34Å; Q67-W69 PolarHBondContact O-N 3.48Å; W69-Q71 PolarHBondContact O-N 3.01Å; W69-W72 AromaticContact CD1-CE3 3.65Å; W69-W72 AromaticContact CD1-CZ3 3.75Å; W69-W72 AromaticContact NE1-CZ3 3.98Å; W69-W72 PolarHBondContact O-N 3.36Å; W69-I73 HydrophobicContact CZ2-CD1 4.23Å; W69-I73 WeakPolarHBondContact O-CG2 3.44Å; W69-I73 PolarHBondContact O-N 3.44Å; W69-I89 HydrophobicContact CG-CG2 4.18Å; W69-R90 HydrophobicContact CH2-CG 4.27Å; W69-R90 HydrophobicContact CZ2-CB 3.94Å; W69-R90 HydrophobicContact CZ2-CG 4.18Å; W69-I93 HydrophobicContact CB-CD1 3.8Å; W69-I93 HydrophobicContact CD2-CD1 3.85Å; W69-I93 HydrophobicContact CE3-CD1 4.04Å; W69-I93 HydrophobicContact CG-CD1 3.75Å; W69-M120 VanDerWaalsContact CA-SD 3.56Å; W69-M120 HydrophobicContact CB-SD 3.99Å
70Q98.1Very high97.5Very high87 Ų8769.2 Ų69.241%0.40736%0.357SS..Hα-helixtrans-65.2-39.6179.3-172.661.169.300112.2Q66 Q67 I73 N74Q66-Q70 WeakPolarHBondContact O-CB 3.47Å; Q66-Q70 PolarHBondContact O-N 3.38Å; Q67-Q70 PolarHBondContact O-N 3.22Å; Q70-I73 WeakPolarHBondContact O-CG2 3.42Å; Q70-N74 PolarHBondContact NE2-ND2 2.99Å; Q70-N74 PolarHBondContact NE2-OD1 3.01Å; Q70-N74 VanDerWaalsContact NE2-OD1 3.13Å; Q70-N74 WeakPolarHBondContact O-CB 3.36Å; Q70-N74 PolarHBondContact O-N 3.08Å; Q70-N74 PolarHBondContact O-ND2 3.16Å; Q70-N74 VanDerWaalsContact O-ND2 3.1Å
71Q98.2Very high97.4Very high116 Ų11669.4 Ų69.454%0.54235%0.353SS..Hα-helixtrans-66.8-41.1174.6-70.2175.327.600111.6Q67 A68 W69 K75Q67-Q71 VanDerWaalsContact O-CG 3.32Å; Q67-Q71 WeakPolarHBondContact O-CG 3.36Å; Q67-Q71 PolarHBondContact O-N 3.08Å; A68-Q71 PolarHBondContact O-N 2.61Å; W69-Q71 PolarHBondContact O-N 3.01Å; Q71-K75 WeakPolarHBondContact O-CG 3.46Å; Q71-K75 PolarHBondContact O-N 3.23Å
72W98.3Very high97.1Very high25 Ų2570.8 Ų70.810%0.09536%0.36CS..Hα-helixtrans-64.3-52.5178.8168.679.4000111.9A68 W69 N74 K75 L76 V86 I89 M120 I123 S124A68-W72 WeakPolarHBondContact O-CB 3.28Å; A68-W72 PolarHBondContact O-N 3.42Å; W69-W72 AromaticContact CD1-CE3 3.65Å; W69-W72 AromaticContact CD1-CZ3 3.75Å; W69-W72 AromaticContact NE1-CZ3 3.98Å; W69-W72 PolarHBondContact O-N 3.36Å; W72-N74 PolarHBondContact O-N 3.24Å; W72-K75 WeakPolarHBondContact O-CB 3.37Å; W72-K75 PolarHBondContact O-N 2.91Å; W72-L76 HydrophobicContact CD2-CD1 4.43Å; W72-L76 HydrophobicContact CH2-CD1 3.99Å; W72-L76 HydrophobicContact CZ2-CD1 3.82Å; W72-L76 HydrophobicContact CZ3-CD1 4.35Å; W72-L76 PolarHBondContact O-N 2.79Å; W72-V86 HydrophobicContact CH2-CB 4.13Å; W72-V86 HydrophobicContact CH2-CG1 3.75Å; W72-V86 HydrophobicContact CH2-CG2 4.01Å; W72-V86 HydrophobicContact CZ2-CG2 4.42Å; W72-V86 HydrophobicContact CZ3-CG1 3.94Å; W72-I89 HydrophobicContact CH2-CB 4.31Å; W72-I89 HydrophobicContact CH2-CG1 3.57Å; W72-I89 HydrophobicContact CZ2-CG1 4.45Å; W72-I89 HydrophobicContact CZ3-CB 4.03Å; W72-I89 HydrophobicContact CZ3-CG1 3.8Å; W72-I89 HydrophobicContact CZ3-CG2 4.2Å; W72-M120 HydrophobicContact CB-SD 3.86Å; W72-M120 HydrophobicContact CD2-CB 3.89Å; W72-M120 HydrophobicContact CD2-CG 3.65Å; W72-M120 HydrophobicContact CD2-SD 3.67Å; W72-M120 HydrophobicContact CE3-CG 3.83Å; W72-M120 HydrophobicContact CE3-SD 3.67Å; W72-M120 HydrophobicContact CG-CB 3.99Å; W72-M120 HydrophobicContact CG-CG 4.09Å; W72-M120 HydrophobicContact CG-SD 3.78Å; W72-M120 HydrophobicContact CH2-CG 4.27Å; W72-M120 HydrophobicContact CZ2-CB 4.22Å; W72-M120 HydrophobicContact CZ2-CG 4.14Å; W72-M120 HydrophobicContact CZ3-CG 4.13Å; W72-M120 HydrophobicContact CZ3-SD 4.4Å; W72-M120 PolarHBondContact NE1-O 2.81Å; W72-I123 HydrophobicContact CH2-CD1 4.14Å; W72-I123 HydrophobicContact CH2-CG2 4.33Å; W72-I123 HydrophobicContact CZ2-CB 3.89Å; W72-I123 HydrophobicContact CZ2-CD1 4.09Å; W72-I123 HydrophobicContact CZ2-CG2 3.69Å; W72-S124 PolarHBondContact NE1-OG 3.17Å
73I97.5Very high97.1Very high28 Ų2873.8 Ų73.814%0.14438%0.376CS..Hα-helixtrans-62.9-32.4-178.7-162171.5000112.2W69 Q70 K75 L76 R81 V86W69-I73 HydrophobicContact CZ2-CD1 4.23Å; W69-I73 WeakPolarHBondContact O-CG2 3.44Å; W69-I73 PolarHBondContact O-N 3.44Å; Q70-I73 WeakPolarHBondContact O-CG2 3.42Å; I73-K75 VanDerWaalsContact C-N 3.27Å; I73-K75 PolarHBondContact O-N 2.69Å; I73-L76 PolarHBondContact O-N 2.69Å; I73-R81 HydrophobicContact CG1-CG 4.09Å; I73-R81 PolarHBondContact O-NE 3Å; I73-V86 HydrophobicContact CD1-CG1 4.28Å; I73-V86 HydrophobicContact CG1-CG1 4.28Å
74N96.9Very high96.9Very high91 Ų9178 Ų7849%0.48740%0.396SS..Hα-helixtrans-68.6-25.1176.7-75.9-15.7000113.1Q70 W72 R81Q70-N74 PolarHBondContact NE2-ND2 2.99Å; Q70-N74 PolarHBondContact NE2-OD1 3.01Å; Q70-N74 VanDerWaalsContact NE2-OD1 3.13Å; Q70-N74 WeakPolarHBondContact O-CB 3.36Å; Q70-N74 PolarHBondContact O-N 3.08Å; Q70-N74 PolarHBondContact O-ND2 3.16Å; Q70-N74 VanDerWaalsContact O-ND2 3.1Å; W72-N74 PolarHBondContact O-N 3.24Å; N74-R81 PolarHBondContact O-NH2 3.38Å
75K96.7Very high96.9Very high170 Ų17076.2 Ų76.274%0.73939%0.387SS*.Hα-helixtrans-81.1-17.7175.4-68.6170.4-176.51790112.8Q71 W72 I73Q71-K75 WeakPolarHBondContact O-CG 3.46Å; Q71-K75 PolarHBondContact O-N 3.23Å; W72-K75 WeakPolarHBondContact O-CB 3.37Å; W72-K75 PolarHBondContact O-N 2.91Å; I73-K75 VanDerWaalsContact C-N 3.27Å; I73-K75 PolarHBondContact O-N 2.69Å
76L96.6Very high96.8Very high18 Ų1876.1 Ų76.19%0.09439%0.386CS..SBendtrans-74.8143.5178-63178.5000111.4W72 I73 R80 R81 V86W72-L76 HydrophobicContact CD2-CD1 4.43Å; W72-L76 HydrophobicContact CH2-CD1 3.99Å; W72-L76 HydrophobicContact CZ2-CD1 3.82Å; W72-L76 HydrophobicContact CZ3-CD1 4.35Å; W72-L76 PolarHBondContact O-N 2.79Å; I73-L76 PolarHBondContact O-N 2.69Å; L76-R80 HydrophobicContact CB-CB 4.38Å; L76-R81 HydrophobicContact CB-CG 4.21Å; L76-R81 PolarHBondContact O-NE 3.32Å; L76-R81 VanDerWaalsContact O-NE 3.16Å; L76-R81 PolarHBondContact O-NH2 3.18Å; L76-V86 HydrophobicContact CD1-CB 4.45Å; L76-V86 HydrophobicContact CD1-CG1 3.8Å; L76-V86 HydrophobicContact CD1-CG2 3.71Å
77P95.9Very high96.7Very high79 Ų7976.9 Ų76.951%0.51339%0.388SS..  trans-53.5142.9168-24.133.5000111A79 R80 R81P77-A79 PolarHBondContact O-N 2.95Å; P77-A79 VanDerWaalsContact O-N 3.1Å; P77-R80 HydrophobicContact CG-CG 4.43Å; P77-R80 PolarHBondContact O-N 3.29Å; P77-R81 PolarHBondContact O-N 2.7Å
78P94.7Very high96.7Very high99 Ų9974.4 Ų74.464%0.64338%0.377SS*.THydrogen-bonded Turntrans-51.6-38.1-178.6-29.835.9000114.2R80 R81P78-R80 PolarHBondContact O-N 2.74Å; P78-R81 WeakPolarHBondContact O-CB 3.45Å; P78-R81 PolarHBondContact O-N 2.62Å
79A94.6Very high96.7Very high80 Ų8073 Ų7366%0.66137%0.365SS*.THydrogen-bonded Turntrans-62-40.6177.300000112.9P77 R81 E82P77-A79 PolarHBondContact O-N 2.95Å; P77-A79 VanDerWaalsContact O-N 3.1Å; A79-R81 VanDerWaalsContact C-N 3.26Å; A79-R81 PolarHBondContact O-N 2.74Å; A79-E82 PolarHBondContact O-N 2.77Å
80R95.1Very high96.6Very high76 Ų7673.3 Ų73.329%0.28737%0.366SS..G310 helixtrans-67.8-25.2179.2-74.5-72.6-69.6128.9-6.5112.8L76 P77 P78 E82 D83 D85 V86L76-R80 HydrophobicContact CB-CB 4.38Å; P77-R80 HydrophobicContact CG-CG 4.43Å; P77-R80 PolarHBondContact O-N 3.29Å; P78-R80 PolarHBondContact O-N 2.74Å; R80-E82 PolarHBondContact O-N 3.16Å; R80-D83 WeakPolarHBondContact CA-OD2 3.36Å; R80-D83 VanDerWaalsContact CD-OD2 3.27Å; R80-D83 WeakPolarHBondContact CD-OD2 3.46Å; R80-D83 IonicContact CZ-OD2 3.65Å; R80-D83 IonicContact NE-OD2 3.88Å; R80-D83 VanDerWaalsContact NH1-CB 3.3Å; R80-D83 VanDerWaalsContact NH1-CG 3.34Å; R80-D83 IonicContact NH1-OD2 3.21Å; R80-D83 PolarHBondContact NH1-OD2 3.18Å; R80-D83 WeakPolarHBondContact O-CB 3.13Å; R80-D83 PolarHBondContact O-N 3.33Å; R80-D83 VanDerWaalsContact O-N 3.15Å; R80-D85 IonicContact CZ-OD2 3.56Å; R80-D85 IonicContact NH1-OD1 3.78Å; R80-D85 PolarHBondContact NH1-OD1 2.96Å; R80-D85 VanDerWaalsContact NH1-OD1 3.15Å; R80-D85 IonicContact NH1-OD2 2.65Å; R80-D85 PolarHBondContact NH1-OD2 3.48Å; R80-D85 IonicContact NH2-OD1 3.34Å; R80-D85 IonicContact NH2-OD2 3.62Å; R80-D85 PolarHBondContact NH2-OD2 2.89Å; R80-V86 VanDerWaalsContact O-CG2 3.31Å; R80-V86 WeakPolarHBondContact O-CG2 3.36Å
81R95.6Very high96.6Very high83 Ų8370.2 Ų70.231%0.31335%0.351SS..G310 helixtrans-64.8-23.6-178.1-60.4-179.5-167.2177.40.4113.1I73 N74 L76 P77 P78 A79I73-R81 HydrophobicContact CG1-CG 4.09Å; I73-R81 PolarHBondContact O-NE 3Å; N74-R81 PolarHBondContact O-NH2 3.38Å; L76-R81 HydrophobicContact CB-CG 4.21Å; L76-R81 PolarHBondContact O-NE 3.32Å; L76-R81 VanDerWaalsContact O-NE 3.16Å; L76-R81 PolarHBondContact O-NH2 3.18Å; P77-R81 PolarHBondContact O-N 2.7Å; P78-R81 WeakPolarHBondContact O-CB 3.45Å; P78-R81 PolarHBondContact O-N 2.62Å; A79-R81 VanDerWaalsContact C-N 3.26Å; A79-R81 PolarHBondContact O-N 2.74Å
82E93.6Very high96.6Very high122 Ų12265.8 Ų65.857%0.5733%0.33SS*.G310 helixtrans-88.2-7-180-65.7-55.6139.600113.6A79 R80 K87A79-E82 PolarHBondContact O-N 2.77Å; R80-E82 PolarHBondContact O-N 3.16Å; E82-K87 VanDerWaalsContact O-CE 3.3Å; E82-K87 WeakPolarHBondContact O-CE 3.46Å; E82-K87 PolarHBondContact O-NZ 3.32Å; E82-K87 WeakPolarHBondContact OE2-CE 3.38Å; E82-K87 IonicContact OE2-NZ 3.6Å; E82-K87 PolarHBondContact OE2-NZ 3.49Å
83D96.8Very high96.7Very high63 Ų6364.8 Ų64.834%0.33733%0.327SS..SBendtrans-72.5146.3-178.8-65.3-32000111.4R80 D85 V86 K87R80-D83 WeakPolarHBondContact CA-OD2 3.36Å; R80-D83 VanDerWaalsContact CD-OD2 3.27Å; R80-D83 WeakPolarHBondContact CD-OD2 3.46Å; R80-D83 IonicContact CZ-OD2 3.65Å; R80-D83 IonicContact NE-OD2 3.88Å; R80-D83 VanDerWaalsContact NH1-CB 3.3Å; R80-D83 VanDerWaalsContact NH1-CG 3.34Å; R80-D83 IonicContact NH1-OD2 3.21Å; R80-D83 PolarHBondContact NH1-OD2 3.18Å; R80-D83 WeakPolarHBondContact O-CB 3.13Å; R80-D83 PolarHBondContact O-N 3.33Å; R80-D83 VanDerWaalsContact O-N 3.15Å; D83-D85 VanDerWaalsContact C-N 3.29Å; D83-D85 WeakPolarHBondContact CB-OD1 3.44Å; D83-D85 PolarHBondContact O-N 3.17Å; D83-V86 PolarHBondContact O-N 2.98Å; D83-V86 VanDerWaalsContact O-N 3.1Å; D83-K87 PolarHBondContact O-N 3.22Å
84E95.4Very high96.7Very high149 Ų14964.1 Ų64.170%0.69632%0.323SS*.Hα-helixtrans-63.3-34.9-172.1-65.4-62.9123.400112.5V86 K87 E88E84-V86 VanDerWaalsContact C-N 3.32Å; E84-V86 PolarHBondContact O-N 3.17Å; E84-K87 PolarHBondContact O-N 2.74Å; E84-E88 WeakPolarHBondContact O-CB 3.21Å; E84-E88 PolarHBondContact O-N 3.04Å
85D97.2Very high96.8Very high63 Ų6359.8 Ų59.834%0.33730%0.3SS..Hα-helixtrans-62-40.4174.961.7-24.3000111.6R80 D83 I123R80-D85 IonicContact CZ-OD2 3.56Å; R80-D85 IonicContact NH1-OD1 3.78Å; R80-D85 PolarHBondContact NH1-OD1 2.96Å; R80-D85 VanDerWaalsContact NH1-OD1 3.15Å; R80-D85 IonicContact NH1-OD2 2.65Å; R80-D85 PolarHBondContact NH1-OD2 3.48Å; R80-D85 IonicContact NH2-OD1 3.34Å; R80-D85 IonicContact NH2-OD2 3.62Å; R80-D85 PolarHBondContact NH2-OD2 2.89Å; D83-D85 VanDerWaalsContact C-N 3.29Å; D83-D85 WeakPolarHBondContact CB-OD1 3.44Å; D83-D85 PolarHBondContact O-N 3.17Å; D85-I123 HydrophobicContact CB-CD1 4.23Å; D85-I123 HydrophobicContact CB-CG1 4.35Å; D85-I123 WeakPolarHBondContact O-CD1 3.4Å
86V97.9Very high96.9Very high1 Ų151.7 Ų51.71%0.00626%0.264CS..Hα-helixtrans-71.6-43177.8174.60000111.8W72 I73 L76 R80 D83 E84 E88 I89 I123W72-V86 HydrophobicContact CH2-CB 4.13Å; W72-V86 HydrophobicContact CH2-CG1 3.75Å; W72-V86 HydrophobicContact CH2-CG2 4.01Å; W72-V86 HydrophobicContact CZ2-CG2 4.42Å; W72-V86 HydrophobicContact CZ3-CG1 3.94Å; I73-V86 HydrophobicContact CD1-CG1 4.28Å; I73-V86 HydrophobicContact CG1-CG1 4.28Å; L76-V86 HydrophobicContact CD1-CB 4.45Å; L76-V86 HydrophobicContact CD1-CG1 3.8Å; L76-V86 HydrophobicContact CD1-CG2 3.71Å; R80-V86 VanDerWaalsContact O-CG2 3.31Å; R80-V86 WeakPolarHBondContact O-CG2 3.36Å; D83-V86 PolarHBondContact O-N 2.98Å; D83-V86 VanDerWaalsContact O-N 3.1Å; E84-V86 VanDerWaalsContact C-N 3.32Å; E84-V86 PolarHBondContact O-N 3.17Å; V86-E88 VanDerWaalsContact C-N 3.25Å; V86-E88 PolarHBondContact O-N 3.42Å; V86-I89 PolarHBondContact O-N 2.67Å; V86-I123 HydrophobicContact CG2-CG2 3.76Å
87K96.3Very high97Very high75 Ų7550.9 Ų50.933%0.32626%0.26SS..Hα-helixtrans-62.4-32.9175.7-76.2172.1172.2156.10112.3E82 D83 E84 I89 R90E82-K87 VanDerWaalsContact O-CE 3.3Å; E82-K87 WeakPolarHBondContact O-CE 3.46Å; E82-K87 PolarHBondContact O-NZ 3.32Å; E82-K87 WeakPolarHBondContact OE2-CE 3.38Å; E82-K87 IonicContact OE2-NZ 3.6Å; E82-K87 PolarHBondContact OE2-NZ 3.49Å; D83-K87 PolarHBondContact O-N 3.22Å; E84-K87 PolarHBondContact O-N 2.74Å; K87-I89 VanDerWaalsContact C-N 3.25Å; K87-I89 PolarHBondContact O-N 3.13Å; K87-R90 WeakPolarHBondContact O-CB 3.48Å; K87-R90 PolarHBondContact O-N 3.45Å
88E97.5Very high97.2Very high57 Ų5747.2 Ų47.227%0.26624%0.236SC..Hα-helixtrans-61.7-31.7179.1-171.457.9-160.400113R30 E84 V86 R90 W91 M92R30-E88 IonicContact CZ-OE1 3.39Å; R30-E88 IonicContact CZ-OE2 2.74Å; R30-E88 IonicContact NH2-OE1 2.73Å; R30-E88 PolarHBondContact NH2-OE1 3.26Å; R30-E88 IonicContact NH2-OE2 3.17Å; R30-E88 PolarHBondContact NH2-OE2 3.39Å; E84-E88 WeakPolarHBondContact O-CB 3.21Å; E84-E88 PolarHBondContact O-N 3.04Å; V86-E88 VanDerWaalsContact C-N 3.25Å; V86-E88 PolarHBondContact O-N 3.42Å; E88-R90 VanDerWaalsContact C-N 3.26Å; E88-R90 PolarHBondContact O-N 3.35Å; E88-W91 WeakPolarHBondContact O-CA 3.41Å; E88-W91 WeakPolarHBondContact O-CB 3.32Å; E88-W91 PolarHBondContact O-N 3.23Å; E88-M92 PolarHBondContact O-N 3.32Å
89I98.5Very high97.4Very high3 Ų343.6 Ų43.62%0.01521%0.213CC..Hα-helixtrans-58.6-38.1178.4-58.1-55.1000112W69 W72 V86 K87 W91 M92 I93 I116 A119 M120 I123W69-I89 HydrophobicContact CG-CG2 4.18Å; W72-I89 HydrophobicContact CH2-CB 4.31Å; W72-I89 HydrophobicContact CH2-CG1 3.57Å; W72-I89 HydrophobicContact CZ2-CG1 4.45Å; W72-I89 HydrophobicContact CZ3-CB 4.03Å; W72-I89 HydrophobicContact CZ3-CG1 3.8Å; W72-I89 HydrophobicContact CZ3-CG2 4.2Å; V86-I89 PolarHBondContact O-N 2.67Å; K87-I89 VanDerWaalsContact C-N 3.25Å; K87-I89 PolarHBondContact O-N 3.13Å; I89-W91 VanDerWaalsContact C-N 3.26Å; I89-W91 PolarHBondContact O-N 3.5Å; I89-M92 HydrophobicContact CD1-SD 3.64Å; I89-M92 PolarHBondContact O-N 3.48Å; I89-I93 WeakPolarHBondContact O-CG1 3.43Å; I89-I93 PolarHBondContact O-N 2.97Å; I89-I116 HydrophobicContact CG2-CG2 3.98Å; I89-A119 HydrophobicContact CD1-CB 3.6Å; I89-M120 HydrophobicContact CD1-CG 4.21Å; I89-M120 HydrophobicContact CG1-CG 4.14Å; I89-M120 HydrophobicContact CG2-CG 3.78Å; I89-M120 HydrophobicContact CG2-SD 3.99Å; I89-I123 HydrophobicContact CD1-CD1 3.76Å; I89-I123 HydrophobicContact CG1-CD1 3.85Å
90R97.7Very high97.5Very high55 Ų5541.5 Ų41.521%0.20819%0.189CC..Hα-helixtrans-58.9-41.5174.6-176.9-160.8157.7-734.9110.7G16 W69 K87 E88 I93 E94G16-R90 PolarHBondContact O-NH2 3.08Å; W69-R90 HydrophobicContact CH2-CG 4.27Å; W69-R90 HydrophobicContact CZ2-CB 3.94Å; W69-R90 HydrophobicContact CZ2-CG 4.18Å; K87-R90 WeakPolarHBondContact O-CB 3.48Å; K87-R90 PolarHBondContact O-N 3.45Å; E88-R90 VanDerWaalsContact C-N 3.26Å; E88-R90 PolarHBondContact O-N 3.35Å; R90-I93 WeakPolarHBondContact O-CB 3.05Å; R90-I93 PolarHBondContact O-N 3.3Å; R90-E94 PolarHBondContact O-N 3.14Å
91W98.1Very high97.7Very high22 Ų2238.3 Ų38.38%0.08318%0.177CC..Hα-helixtrans-71.2-36.8179.6-61115.6000112.2L17 N26 Y37 E88 I89 I93 E94 E95L17-W91 HydrophobicContact CD2-CZ3 4.41Å; N26-W91 HydrophobicContact CB-CH2 3.82Å; N26-W91 HydrophobicContact CB-CZ2 4.06Å; Y37-W91 HydrophobicContact CD2-CZ3 4.42Å; Y37-W91 AromaticContact CE2-CE3 3.77Å; Y37-W91 HydrophobicContact CE2-CE3 3.77Å; Y37-W91 AromaticContact CE2-CZ3 3.91Å; Y37-W91 HydrophobicContact CE2-CZ3 3.91Å; E88-W91 WeakPolarHBondContact O-CA 3.41Å; E88-W91 WeakPolarHBondContact O-CB 3.32Å; E88-W91 PolarHBondContact O-N 3.23Å; I89-W91 VanDerWaalsContact C-N 3.26Å; I89-W91 PolarHBondContact O-N 3.5Å; W91-I93 PolarHBondContact O-N 2.82Å; W91-E94 HydrophobicContact CE3-CG 4.38Å; W91-E94 WeakPolarHBondContact O-CB 3.37Å; W91-E94 PolarHBondContact O-N 3.2Å; W91-E95 PolarHBondContact O-N 3.2Å
92M98.8Very high97.8Very high23 Ų2334.3 Ų34.311%0.11316%0.162CC..Hα-helixtrans-57.9-33172.5-62.8177.274.200112.4E88 I89 E95 L96 Y109 I111 I116 A119E88-M92 PolarHBondContact O-N 3.32Å; I89-M92 HydrophobicContact CD1-SD 3.64Å; I89-M92 PolarHBondContact O-N 3.48Å; M92-E95 PolarHBondContact O-N 2.94Å; M92-L96 PolarHBondContact O-N 2.89Å; M92-Y109 WeakPolarHBondContact CG-OH 3.47Å; M92-I111 HydrophobicContact CB-CD1 3.92Å; M92-I111 HydrophobicContact CE-CD1 3.92Å; M92-I111 HydrophobicContact CG-CD1 4.43Å; M92-I116 HydrophobicContact CB-CD1 4.12Å; M92-I116 HydrophobicContact CB-CG1 3.9Å; M92-I116 HydrophobicContact CE-CG1 4.03Å; M92-I116 WeakPolarHBondContact O-CD1 3.42Å; M92-A119 HydrophobicContact CE-CB 3.87Å; M92-A119 HydrophobicContact SD-CB 3.89Å
93I98.8Very high98Very high4 Ų434.4 Ų34.42%0.02116%0.162CC..Hα-helixtrans-68-38.6174.6-63.8169.7000111.2V62 V65 Q66 W69 I89 R90 W91 E95 L96 R97 I116V62-I93 HydrophobicContact CG1-CG2 4.4Å; V65-I93 HydrophobicContact CG1-CD1 4.3Å; V65-I93 HydrophobicContact CG1-CG1 3.95Å; Q66-I93 HydrophobicContact CG-CD1 4.36Å; Q66-I93 HydrophobicContact CG-CG2 3.89Å; W69-I93 HydrophobicContact CB-CD1 3.8Å; W69-I93 HydrophobicContact CD2-CD1 3.85Å; W69-I93 HydrophobicContact CE3-CD1 4.04Å; W69-I93 HydrophobicContact CG-CD1 3.75Å; I89-I93 WeakPolarHBondContact O-CG1 3.43Å; I89-I93 PolarHBondContact O-N 2.97Å; R90-I93 WeakPolarHBondContact O-CB 3.05Å; R90-I93 PolarHBondContact O-N 3.3Å; W91-I93 PolarHBondContact O-N 2.82Å; I93-E95 VanDerWaalsContact C-N 3.33Å; I93-L96 WeakPolarHBondContact O-CB 3.49Å; I93-L96 PolarHBondContact O-N 3.24Å; I93-R97 WeakPolarHBondContact O-CG 3.48Å; I93-R97 PolarHBondContact O-N 3.06Å; I93-I116 HydrophobicContact CG1-CD1 4.18Å; I93-I116 HydrophobicContact CG1-CG2 4.38Å
94E98.8Very high98Very high13 Ų1336.7 Ų36.76%0.06117%0.171CC..Hα-helixtrans-64.9-38.8173.4-62.9-57.5149.200111.5Q13 L17 Y37 R90 W91 L96 R97 V98Q13-E94 PolarHBondContact NE2-OE2 3.45Å; L17-E94 HydrophobicContact CD2-CG 4.28Å; Y37-E94 HydrophobicContact CD1-CB 3.93Å; Y37-E94 HydrophobicContact CD2-CB 3.97Å; Y37-E94 HydrophobicContact CD2-CG 4.32Å; Y37-E94 HydrophobicContact CE1-CB 3.65Å; Y37-E94 HydrophobicContact CE2-CB 3.7Å; Y37-E94 HydrophobicContact CE2-CG 4.25Å; Y37-E94 HydrophobicContact CG-CB 4.09Å; R90-E94 PolarHBondContact O-N 3.14Å; W91-E94 HydrophobicContact CE3-CG 4.38Å; W91-E94 WeakPolarHBondContact O-CB 3.37Å; W91-E94 PolarHBondContact O-N 3.2Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.19Å; E94-R97 WeakPolarHBondContact O-CB 3.47Å; E94-R97 PolarHBondContact O-N 3.46Å; E94-V98 PolarHBondContact O-N 2.68Å
95E98.8Very high98.1Very high0 Ų032.2 Ų32.20%015%0.151CC..Hα-helixtrans-63.3-39.2172.4-61.6-61.1178.900112.2R36 Y37 W91 M92 I93 R97 V98 S99 T107 P108 I111R36-E95 IonicContact CZ-OE1 2.77Å; R36-E95 IonicContact CZ-OE2 2.68Å; R36-E95 IonicContact NH1-OE1 3.67Å; R36-E95 IonicContact NH1-OE2 3.66Å; R36-E95 PolarHBondContact NH1-OE2 3.04Å; R36-E95 VanDerWaalsContact NH2-CD 3.3Å; R36-E95 IonicContact NH2-OE1 3.72Å; R36-E95 PolarHBondContact NH2-OE1 3.49Å; R36-E95 IonicContact NH2-OE2 3.78Å; R36-E95 PolarHBondContact NH2-OE2 3.42Å; R36-E95 VanDerWaalsContact NH2-OE2 3.17Å; Y37-E95 VanDerWaalsContact OH-CD 3.28Å; Y37-E95 PolarHBondContact OH-OE1 3.22Å; W91-E95 PolarHBondContact O-N 3.2Å; M92-E95 PolarHBondContact O-N 2.94Å; I93-E95 VanDerWaalsContact C-N 3.33Å; E95-R97 VanDerWaalsContact C-N 3.29Å; E95-R97 PolarHBondContact O-N 2.73Å; E95-V98 PolarHBondContact O-N 2.84Å; E95-S99 PolarHBondContact O-N 3.45Å; E95-T107 HydrophobicContact CB-CG2 4.38Å; E95-T107 WeakPolarHBondContact O-CG2 3.45Å; E95-P108 VanDerWaalsContact OE1-CD 3.24Å; E95-P108 WeakPolarHBondContact OE1-CD 3.16Å; E95-P108 WeakPolarHBondContact OE1-CG 3.31Å; E95-P108 VanDerWaalsContact OE2-CD 3.23Å; E95-P108 WeakPolarHBondContact OE2-CD 3.16Å; E95-I111 HydrophobicContact CB-CB 4.39Å; E95-I111 HydrophobicContact CB-CG1 4.12Å; E95-I111 HydrophobicContact CB-CG2 4.32Å
96L98.9Very high98.2Very high0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-59.7-42.7174.2-176.468.9000111.1V62 V65 M92 I93 E94 V98 S99 Y100 I111 D113 I116V62-L96 HydrophobicContact CG2-CD2 4.48Å; V65-L96 HydrophobicContact CB-CD2 4.25Å; V65-L96 HydrophobicContact CG1-CD2 4.42Å; V65-L96 HydrophobicContact CG2-CD2 3.92Å; M92-L96 PolarHBondContact O-N 2.89Å; I93-L96 WeakPolarHBondContact O-CB 3.49Å; I93-L96 PolarHBondContact O-N 3.24Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.19Å; L96-V98 PolarHBondContact O-N 2.77Å; L96-S99 WeakPolarHBondContact O-CB 3.38Å; L96-S99 PolarHBondContact O-N 2.77Å; L96-S99 PolarHBondContact O-OG 3.45Å; L96-Y100 HydrophobicContact CD1-CD2 4.16Å; L96-Y100 HydrophobicContact CD1-CE2 3.55Å; L96-Y100 HydrophobicContact CD2-CE2 3.94Å; L96-Y100 HydrophobicContact CG-CD2 3.9Å; L96-Y100 HydrophobicContact CG-CE2 3.56Å; L96-Y100 PolarHBondContact O-N 2.9Å; L96-I111 HydrophobicContact CB-CG1 4.24Å; L96-D113 VanDerWaalsContact CD1-OD1 3.28Å; L96-D113 WeakPolarHBondContact CD1-OD1 3.46Å; L96-D113 VanDerWaalsContact CD2-OD1 3.31Å; L96-D113 WeakPolarHBondContact CD2-OD1 3.42Å; L96-I116 HydrophobicContact CB-CD1 3.85Å; L96-I116 HydrophobicContact CD2-CD1 3.92Å; L96-I116 HydrophobicContact CG-CD1 4.35Å
97R98.8Very high98.2Very high2 Ų233 Ų331%0.00817%0.165CC..Hα-helixtrans-60.6-44175.4-68.9174.3139.4-63.7-16.9112D9 V62 I93 E94 E95 S99 Y100 F101D9-R97 IonicContact OD1-CZ 2.62Å; D9-R97 IonicContact OD1-NH2 3.99Å; D9-R97 PolarHBondContact OD1-NH2 3.32Å; D9-R97 IonicContact OD2-CZ 3.84Å; D9-R97 IonicContact OD2-NH1 3.77Å; D9-R97 IonicContact OD2-NH2 2.69Å; D9-R97 PolarHBondContact OD2-NH2 3.17Å; V62-R97 HydrophobicContact CG1-CG 3.92Å; V62-R97 HydrophobicContact CG2-CG 4.07Å; I93-R97 WeakPolarHBondContact O-CG 3.48Å; I93-R97 PolarHBondContact O-N 3.06Å; E94-R97 WeakPolarHBondContact O-CB 3.47Å; E94-R97 PolarHBondContact O-N 3.46Å; E95-R97 VanDerWaalsContact C-N 3.29Å; E95-R97 PolarHBondContact O-N 2.73Å; R97-S99 VanDerWaalsContact C-N 3.32Å; R97-S99 PolarHBondContact O-N 3.22Å; R97-Y100 PolarHBondContact O-N 3.14Å; R97-F101 HydrophobicContact CB-CD2 4.18Å; R97-F101 HydrophobicContact CB-CE2 4.4Å; R97-F101 HydrophobicContact CG-CE2 4.42Å; R97-F101 WeakPolarHBondContact O-CD2 3.16Å; R97-F101 PolarHBondContact O-N 3.16Å
98V98.8Very high98.2Very high1 Ų133.3 Ų33.31%0.00618%0.175CC..Hα-helixtrans-58.8-46.6174.2176.90000110.6Y37 A40 E94 E95 L96 Y100 F101 A102 Q103 L105 G106 T107Y37-V98 HydrophobicContact CD1-CG2 3.56Å; Y37-V98 HydrophobicContact CE1-CG2 3.92Å; A40-V98 HydrophobicContact CB-CG2 3.86Å; E94-V98 PolarHBondContact O-N 2.68Å; E95-V98 PolarHBondContact O-N 2.84Å; L96-V98 PolarHBondContact O-N 2.77Å; V98-Y100 PolarHBondContact O-N 3.38Å; V98-F101 PolarHBondContact O-N 3.45Å; V98-A102 CarbonylContact O-C 3.54Å; V98-A102 WeakPolarHBondContact O-CA 3.23Å; V98-A102 PolarHBondContact O-N 2.81Å; V98-Q103 PolarHBondContact O-N 2.89Å; V98-L105 HydrophobicContact CG1-CB 4.1Å; V98-G106 WeakPolarHBondContact CG1-O 3.37Å; V98-T107 HydrophobicContact CB-CG2 4.21Å; V98-T107 HydrophobicContact CG1-CG2 4.16Å
99S98.5Very high98.2Very high24 Ų2434.1 Ų34.117%0.16818%0.176CC..Hα-helixtrans-60.8-28.3-179.784.50000113.7E95 L96 R97 Q103E95-S99 PolarHBondContact O-N 3.45Å; L96-S99 WeakPolarHBondContact O-CB 3.38Å; L96-S99 PolarHBondContact O-N 2.77Å; L96-S99 PolarHBondContact O-OG 3.45Å; R97-S99 VanDerWaalsContact C-N 3.32Å; R97-S99 PolarHBondContact O-N 3.22Å; S99-Q103 WeakPolarHBondContact O-CG 3.38Å; S99-Q103 PolarHBondContact O-NE2 3.38Å
100Y98.4Very high98.2Very high36 Ų3638.2 Ų38.214%0.14120%0.203CC..Hα-helixtrans-86-55.3177.4-78.5-34.5000112Q58 K61 V62 L96 R97 V98 D113Q58-Y100 HydrophobicContact CB-CG 4.21Å; Q58-Y100 HydrophobicContact CG-CD1 4.16Å; Q58-Y100 HydrophobicContact CG-CG 4.19Å; Q58-Y100 PolarHBondContact NE2-O 3.04Å; Q58-Y100 PolarHBondContact OE1-O 3.07Å; K61-Y100 HydrophobicContact CB-CE2 3.83Å; K61-Y100 HydrophobicContact CD-CE1 4.13Å; K61-Y100 HydrophobicContact CD-CE2 4.25Å; K61-Y100 WeakPolarHBondContact CD-OH 3.24Å; V62-Y100 HydrophobicContact CG2-CD2 3.78Å; V62-Y100 HydrophobicContact CG2-CE2 4.24Å; L96-Y100 HydrophobicContact CD1-CD2 4.16Å; L96-Y100 HydrophobicContact CD1-CE2 3.55Å; L96-Y100 HydrophobicContact CD2-CE2 3.94Å; L96-Y100 HydrophobicContact CG-CD2 3.9Å; L96-Y100 HydrophobicContact CG-CE2 3.56Å; L96-Y100 PolarHBondContact O-N 2.9Å; R97-Y100 PolarHBondContact O-N 3.14Å; V98-Y100 PolarHBondContact O-N 3.38Å; Y100-D113 WeakPolarHBondContact CE2-OD1 3.37Å; Y100-D113 PolarHBondContact OH-OD1 3.07Å; Y100-D113 PolarHBondContact OH-OD2 3.39Å
101F98.2Very high98.2Very high8 Ų836.5 Ų36.54%0.03520%0.198CC..Hα-helixtrans-91.5-26.9-166.8-56.8-67.8000113.7R44 K47 D55 Q58 M59 V62 R97 V98R44-F101 HydrophobicContact CB-CB 3.85Å; R44-F101 HydrophobicContact CB-CG 4.24Å; R44-F101 HydrophobicContact CG-CB 3.92Å; R44-F101 HydrophobicContact CG-CD1 3.64Å; R44-F101 HydrophobicContact CG-CE1 4.28Å; R44-F101 HydrophobicContact CG-CG 3.78Å; R44-F101 VanDerWaalsContact NE-CE1 3.35Å; K47-F101 PolarHBondContact NZ-O 3.12Å; D55-F101 WeakPolarHBondContact OD1-CD1 3.47Å; D55-F101 WeakPolarHBondContact OD1-CE1 3.33Å; Q58-F101 HydrophobicContact CB-CD1 4.47Å; Q58-F101 HydrophobicContact CB-CE1 3.72Å; Q58-F101 HydrophobicContact CB-CZ 3.98Å; M59-F101 HydrophobicContact CB-CZ 4.5Å; V62-F101 HydrophobicContact CG2-CE2 4.18Å; R97-F101 HydrophobicContact CB-CD2 4.18Å; R97-F101 HydrophobicContact CB-CE2 4.4Å; R97-F101 HydrophobicContact CG-CE2 4.42Å; R97-F101 WeakPolarHBondContact O-CD2 3.16Å; R97-F101 PolarHBondContact O-N 3.16Å; V98-F101 PolarHBondContact O-N 3.45Å
102A98.3Very high98.2Very high0 Ų037.2 Ų37.20%021%0.206CC..  trans-143.153.1-171.200000113.5A40 K43 V98 Q104 L105A40-A102 HydrophobicContact CB-CB 3.75Å; K43-A102 HydrophobicContact CB-CB 3.95Å; V98-A102 CarbonylContact O-C 3.54Å; V98-A102 WeakPolarHBondContact O-CA 3.23Å; V98-A102 PolarHBondContact O-N 2.81Å; A102-Q104 VanDerWaalsContact C-OE1 3.3Å; A102-Q104 PolarHBondContact O-N 3.2Å; A102-L105 HydrophobicContact CB-CD1 3.79Å; A102-L105 HydrophobicContact CB-CG 4.11Å; A102-L105 WeakPolarHBondContact O-CB 3.46Å; A102-L105 PolarHBondContact O-N 3.01Å
103Q97.1Very high98.2Very high124 Ų12438 Ų3858%0.57921%0.211SC*.G310 helixtrans-46.9-37-178.4-70.8177.5-4.400115V98 S99 L105 G106V98-Q103 PolarHBondContact O-N 2.89Å; S99-Q103 WeakPolarHBondContact O-CG 3.38Å; S99-Q103 PolarHBondContact O-NE2 3.38Å; Q103-L105 PolarHBondContact O-N 3.41Å; Q103-L105 VanDerWaalsContact O-N 3.17Å; Q103-G106 PolarHBondContact O-N 2.94Å
104Q97.6Very high98.2Very high111 Ų11144.4 Ų44.452%0.51924%0.239SC..G310 helixtrans-63.2-18.7-179.970.4-793.700114.2A102 G106A102-Q104 VanDerWaalsContact C-OE1 3.3Å; A102-Q104 PolarHBondContact O-N 3.2Å; Q104-G106 VanDerWaalsContact C-N 3.33Å
105L98.2Very high98.2Very high55 Ų5549.3 Ų49.329%0.28826%0.256SS..G310 helixtrans-79.3-18.5175.1-63.4-178.7000112.6R36 Q39 A40 V98 A102 Q103R36-L105 HydrophobicContact CG-CB 4.3Å; R36-L105 HydrophobicContact CG-CD1 4.41Å; Q39-L105 HydrophobicContact CB-CD1 3.94Å; A40-L105 HydrophobicContact CB-CD1 3.84Å; V98-L105 HydrophobicContact CG1-CB 4.1Å; A102-L105 HydrophobicContact CB-CD1 3.79Å; A102-L105 HydrophobicContact CB-CG 4.11Å; A102-L105 WeakPolarHBondContact O-CB 3.46Å; A102-L105 PolarHBondContact O-N 3.01Å; Q103-L105 PolarHBondContact O-N 3.41Å; Q103-L105 VanDerWaalsContact O-N 3.17Å
106G97.6Very high98.2Very high35 Ų3549.3 Ų49.336%0.36126%0.256SS..  trans71.1163.5-177.400000114.3R36 V98 Q103 Q104R36-G106 PolarHBondContact NH1-O 3.38Å; V98-G106 WeakPolarHBondContact CG1-O 3.37Å; Q103-G106 PolarHBondContact O-N 2.94Å; Q104-G106 VanDerWaalsContact C-N 3.33Å
107T98.2Very high98.2Very high45 Ų4552.7 Ų52.728%0.27627%0.274SS..  trans-121.3147.8171.459.40000108.5E95 V98 Y109 I111E95-T107 HydrophobicContact CB-CG2 4.38Å; E95-T107 WeakPolarHBondContact O-CG2 3.45Å; V98-T107 HydrophobicContact CB-CG2 4.21Å; V98-T107 HydrophobicContact CG1-CG2 4.16Å; T107-Y109 WeakPolarHBondContact CB-O 3.49Å; T107-Y109 PolarHBondContact O-N 2.98Å; T107-Y109 PolarHBondContact OG1-O 3.18Å; T107-I111 HydrophobicContact CG2-CG2 3.92Å
108P97Very high98.2Very high81 Ų8156.5 Ų56.553%0.52629%0.292SS..SBendtrans-65.9-18.5-177.324.7-32.2000113.4E95E95-P108 VanDerWaalsContact OE1-CD 3.24Å; E95-P108 WeakPolarHBondContact OE1-CD 3.16Å; E95-P108 WeakPolarHBondContact OE1-CG 3.31Å; E95-P108 VanDerWaalsContact OE2-CD 3.23Å; E95-P108 WeakPolarHBondContact OE2-CD 3.16Å
109Y97.5Very high98.2Very high75 Ų7557.2 Ų57.229%0.29430%0.298SS..SBendtrans-151162.7176.147-97.6000110.2M92 T107 I111M92-Y109 WeakPolarHBondContact CG-OH 3.47Å; T107-Y109 WeakPolarHBondContact CB-O 3.49Å; T107-Y109 PolarHBondContact O-N 2.98Å; T107-Y109 PolarHBondContact OG1-O 3.18Å; Y109-I111 HydrophobicContact CE2-CD1 3.87Å; Y109-I111 PolarHBondContact O-N 3.07Å
110P97.8Very high98.2Very high89 Ų8956.4 Ų56.458%0.57829%0.292SS*.  trans-60.2120.9174.5-24.235.3000111.5R115P110-R115 WeakPolarHBondContact O-CD 3.42Å; P110-R115 PolarHBondContact O-NE 3.3Å
111I98.7Very high98.1Very high19 Ų1961.3 Ų61.310%0.09732%0.316CS..  trans-119.5148.1-179.3-167.371.2000111.1M92 E95 L96 T107 Y109 I116M92-I111 HydrophobicContact CB-CD1 3.92Å; M92-I111 HydrophobicContact CE-CD1 3.92Å; M92-I111 HydrophobicContact CG-CD1 4.43Å; E95-I111 HydrophobicContact CB-CB 4.39Å; E95-I111 HydrophobicContact CB-CG1 4.12Å; E95-I111 HydrophobicContact CB-CG2 4.32Å; L96-I111 HydrophobicContact CB-CG1 4.24Å; T107-I111 HydrophobicContact CG2-CG2 3.92Å; Y109-I111 HydrophobicContact CE2-CD1 3.87Å; Y109-I111 PolarHBondContact O-N 3.07Å; I111-I116 HydrophobicContact CD1-CD1 4.11Å; I111-I116 HydrophobicContact CD1-CG1 3.83Å; I111-I116 HydrophobicContact CG1-CD1 4.37Å
112S98.4Very high98.1Very high37 Ų3768.2 Ų68.226%0.25935%0.348SS..  trans-162.4162.7170.664.80000110.3K114 R115 I116S112-K114 PolarHBondContact O-N 3.39Å; S112-R115 PolarHBondContact O-N 3.4Å; S112-R115 PolarHBondContact OG-N 3.05Å; S112-I116 PolarHBondContact O-N 3.33Å
113D98.4Very high98Very high39 Ų3969.5 Ų69.521%0.20936%0.355CS..Hα-helixtrans-48.8-48.2175-50.8-2.3000110.8V65 L96 Y100 R115 I116 L117V65-D113 HydrophobicContact CG2-CB 3.67Å; L96-D113 VanDerWaalsContact CD1-OD1 3.28Å; L96-D113 WeakPolarHBondContact CD1-OD1 3.46Å; L96-D113 VanDerWaalsContact CD2-OD1 3.31Å; L96-D113 WeakPolarHBondContact CD2-OD1 3.42Å; Y100-D113 WeakPolarHBondContact CE2-OD1 3.37Å; Y100-D113 PolarHBondContact OH-OD1 3.07Å; Y100-D113 PolarHBondContact OH-OD2 3.39Å; D113-R115 VanDerWaalsContact C-N 3.34Å; D113-R115 PolarHBondContact O-N 2.8Å; D113-I116 PolarHBondContact O-N 3.06Å; D113-L117 WeakPolarHBondContact O-CG 3.35Å; D113-L117 PolarHBondContact O-N 3.18Å
114K98.6Very high97.7Very high139 Ų13966.8 Ų66.860%0.60435%0.35SS*.Hα-helixtrans-58.2-42179.2-177.6177.5178.1178.70112.6S112 I116 L117 Q118S112-K114 PolarHBondContact O-N 3.39Å; K114-I116 VanDerWaalsContact C-N 3.31Å; K114-I116 PolarHBondContact O-N 3.25Å; K114-L117 PolarHBondContact O-N 3.05Å; K114-Q118 HydrophobicContact CG-CG 4.43Å; K114-Q118 WeakPolarHBondContact O-CB 3.17Å; K114-Q118 VanDerWaalsContact O-CG 3.26Å; K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-Q118 PolarHBondContact O-N 3.31Å
115R98.7Very high97Very high116 Ų11667.3 Ų67.344%0.43838%0.384SS..Hα-helixtrans-66.5-35.8-179.9-76.1-176.9175111.4-2.1111.9P110 S112 D113 A119P110-R115 WeakPolarHBondContact O-CD 3.42Å; P110-R115 PolarHBondContact O-NE 3.3Å; S112-R115 PolarHBondContact O-N 3.4Å; S112-R115 PolarHBondContact OG-N 3.05Å; D113-R115 VanDerWaalsContact C-N 3.34Å; D113-R115 PolarHBondContact O-N 2.8Å; R115-A119 WeakPolarHBondContact O-CB 3.03Å; R115-A119 PolarHBondContact O-N 2.83Å
116I98.8Very high96.9Very high0 Ų067.9 Ų67.90%039%0.389CS..Hα-helixtrans-68.6-45.7176.9-60175.6000110.3V65 I89 M92 I93 L96 I111 S112 D113 K114 Q118 A119 M120V65-I116 HydrophobicContact CG1-CB 4.07Å; V65-I116 HydrophobicContact CG1-CD1 3.93Å; V65-I116 HydrophobicContact CG1-CG2 3.67Å; I89-I116 HydrophobicContact CG2-CG2 3.98Å; M92-I116 HydrophobicContact CB-CD1 4.12Å; M92-I116 HydrophobicContact CB-CG1 3.9Å; M92-I116 HydrophobicContact CE-CG1 4.03Å; M92-I116 WeakPolarHBondContact O-CD1 3.42Å; I93-I116 HydrophobicContact CG1-CD1 4.18Å; I93-I116 HydrophobicContact CG1-CG2 4.38Å; L96-I116 HydrophobicContact CB-CD1 3.85Å; L96-I116 HydrophobicContact CD2-CD1 3.92Å; L96-I116 HydrophobicContact CG-CD1 4.35Å; I111-I116 HydrophobicContact CD1-CD1 4.11Å; I111-I116 HydrophobicContact CD1-CG1 3.83Å; I111-I116 HydrophobicContact CG1-CD1 4.37Å; S112-I116 PolarHBondContact O-N 3.33Å; D113-I116 PolarHBondContact O-N 3.06Å; K114-I116 VanDerWaalsContact C-N 3.31Å; K114-I116 PolarHBondContact O-N 3.25Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 2.88Å; I116-A119 PolarHBondContact O-N 3.03Å; I116-M120 HydrophobicContact CG2-CE 4.34Å; I116-M120 WeakPolarHBondContact O-CG 3.47Å; I116-M120 PolarHBondContact O-N 3.37Å
117L98.6Very high96.9Very high70 Ų7069.6 Ų69.637%0.36639%0.391SS..Hα-helixtrans-58.3-44.3175.8-63.4178000111.6A68 D113 K114 M120 E121A68-L117 HydrophobicContact CB-CD2 3.71Å; D113-L117 WeakPolarHBondContact O-CG 3.35Å; D113-L117 PolarHBondContact O-N 3.18Å; K114-L117 PolarHBondContact O-N 3.05Å; L117-M120 HydrophobicContact CD2-CE 3.5Å; L117-M120 VanDerWaalsContact CD2-CE 3.5Å; L117-M120 HydrophobicContact CG-CE 4.48Å; L117-M120 PolarHBondContact O-N 2.88Å; L117-E121 WeakPolarHBondContact O-CG 3.35Å; L117-E121 PolarHBondContact O-N 2.92Å
118Q98.4Very high96.8Very high82 Ų8271 Ų7138%0.38340%0.397SS..Hα-helixtrans-64.5-40176.9-73.8177.8-35.100113K114 I116 M120 E121 Q122K114-Q118 HydrophobicContact CG-CG 4.43Å; K114-Q118 WeakPolarHBondContact O-CB 3.17Å; K114-Q118 VanDerWaalsContact O-CG 3.26Å; K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-Q118 PolarHBondContact O-N 3.31Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 2.88Å; Q118-M120 VanDerWaalsContact C-N 3.32Å; Q118-M120 PolarHBondContact O-N 3.04Å; Q118-E121 PolarHBondContact O-N 3.02Å; Q118-Q122 VanDerWaalsContact O-CG 3.3Å; Q118-Q122 WeakPolarHBondContact O-CG 3.41Å; Q118-Q122 PolarHBondContact O-N 3.2Å
119A98.4Very high96.8Very high16 Ų1670.4 Ų70.413%0.13239%0.389CS..Hα-helixtrans-62.8-40.4176.400000111.4I89 M92 R115 I116 Q122 I123I89-A119 HydrophobicContact CD1-CB 3.6Å; M92-A119 HydrophobicContact CE-CB 3.87Å; M92-A119 HydrophobicContact SD-CB 3.89Å; R115-A119 WeakPolarHBondContact O-CB 3.03Å; R115-A119 PolarHBondContact O-N 2.83Å; I116-A119 PolarHBondContact O-N 3.03Å; A119-Q122 PolarHBondContact O-N 3.1Å; A119-I123 WeakPolarHBondContact O-CD1 3.42Å; A119-I123 VanDerWaalsContact O-CG1 3.27Å; A119-I123 WeakPolarHBondContact O-CG1 3.4Å; A119-I123 PolarHBondContact O-N 3.36Å; A119-I123 VanDerWaalsContact O-N 3.14Å
120M98.5Very high96.8Very high8 Ų870.1 Ų70.14%0.03940%0.395CS..Hα-helixtrans-62.9-42.9174.1-70.8-171.8-65.100112.6A68 W69 W72 I89 I116 L117 Q118 I123 S124A68-M120 HydrophobicContact CB-CE 4.16Å; W69-M120 VanDerWaalsContact CA-SD 3.56Å; W69-M120 HydrophobicContact CB-SD 3.99Å; W72-M120 HydrophobicContact CB-SD 3.86Å; W72-M120 HydrophobicContact CD2-CB 3.89Å; W72-M120 HydrophobicContact CD2-CG 3.65Å; W72-M120 HydrophobicContact CD2-SD 3.67Å; W72-M120 HydrophobicContact CE3-CG 3.83Å; W72-M120 HydrophobicContact CE3-SD 3.67Å; W72-M120 HydrophobicContact CG-CB 3.99Å; W72-M120 HydrophobicContact CG-CG 4.09Å; W72-M120 HydrophobicContact CG-SD 3.78Å; W72-M120 HydrophobicContact CH2-CG 4.27Å; W72-M120 HydrophobicContact CZ2-CB 4.22Å; W72-M120 HydrophobicContact CZ2-CG 4.14Å; W72-M120 HydrophobicContact CZ3-CG 4.13Å; W72-M120 HydrophobicContact CZ3-SD 4.4Å; W72-M120 PolarHBondContact NE1-O 2.81Å; I89-M120 HydrophobicContact CD1-CG 4.21Å; I89-M120 HydrophobicContact CG1-CG 4.14Å; I89-M120 HydrophobicContact CG2-CG 3.78Å; I89-M120 HydrophobicContact CG2-SD 3.99Å; I116-M120 HydrophobicContact CG2-CE 4.34Å; I116-M120 WeakPolarHBondContact O-CG 3.47Å; I116-M120 PolarHBondContact O-N 3.37Å; L117-M120 HydrophobicContact CD2-CE 3.5Å; L117-M120 VanDerWaalsContact CD2-CE 3.5Å; L117-M120 HydrophobicContact CG-CE 4.48Å; L117-M120 PolarHBondContact O-N 2.88Å; Q118-M120 VanDerWaalsContact C-N 3.32Å; Q118-M120 PolarHBondContact O-N 3.04Å; M120-I123 PolarHBondContact O-N 3.06Å; M120-S124 PolarHBondContact O-N 3.02Å; M120-S124 PolarHBondContact O-OG 2.89Å
121E97.6Very high96.7Very high139 Ų13968.9 Ų68.965%0.6538%0.383SS*.Hα-helixtrans-60.8-43.7175.4-73.4172.7-174.100111.7L117 Q118 I123 S124 G125L117-E121 WeakPolarHBondContact O-CG 3.35Å; L117-E121 PolarHBondContact O-N 2.92Å; Q118-E121 PolarHBondContact O-N 3.02Å; E121-I123 VanDerWaalsContact C-N 3.31Å; E121-I123 PolarHBondContact O-N 3.44Å; E121-S124 PolarHBondContact O-N 3.48Å; E121-G125 PolarHBondContact O-N 2.78Å
122Q97.5Very high96.6Very high152 Ų15272.4 Ų72.471%0.7140%0.404SS*.Hα-helixtrans-63.8-32.7178.8-74.9174.2-19.600113.6Q118 A119Q118-Q122 VanDerWaalsContact O-CG 3.3Å; Q118-Q122 WeakPolarHBondContact O-CG 3.41Å; Q118-Q122 PolarHBondContact O-N 3.2Å; A119-Q122 PolarHBondContact O-N 3.1Å
123I96.3Very high96.4Very high28 Ų2875.2 Ų75.214%0.14442%0.415CS..Hα-helixtrans-77.8-27178.3-68165.5000111.7W72 D85 V86 I89 A119 M120 E121W72-I123 HydrophobicContact CH2-CD1 4.14Å; W72-I123 HydrophobicContact CH2-CG2 4.33Å; W72-I123 HydrophobicContact CZ2-CB 3.89Å; W72-I123 HydrophobicContact CZ2-CD1 4.09Å; W72-I123 HydrophobicContact CZ2-CG2 3.69Å; D85-I123 HydrophobicContact CB-CD1 4.23Å; D85-I123 HydrophobicContact CB-CG1 4.35Å; D85-I123 WeakPolarHBondContact O-CD1 3.4Å; V86-I123 HydrophobicContact CG2-CG2 3.76Å; I89-I123 HydrophobicContact CD1-CD1 3.76Å; I89-I123 HydrophobicContact CG1-CD1 3.85Å; A119-I123 WeakPolarHBondContact O-CD1 3.42Å; A119-I123 VanDerWaalsContact O-CG1 3.27Å; A119-I123 WeakPolarHBondContact O-CG1 3.4Å; A119-I123 PolarHBondContact O-N 3.36Å; A119-I123 VanDerWaalsContact O-N 3.14Å; M120-I123 PolarHBondContact O-N 3.06Å; E121-I123 VanDerWaalsContact C-N 3.31Å; E121-I123 PolarHBondContact O-N 3.44Å
124S91Very high96.3Very high67 Ų6778.2 Ų78.247%0.46943%0.432SS..Hα-helixtrans-87.6-24.1-179.3-710000114.9W72 M120 E121W72-S124 PolarHBondContact NE1-OG 3.17Å; M120-S124 PolarHBondContact O-N 3.02Å; M120-S124 PolarHBondContact O-OG 2.89Å; E121-S124 PolarHBondContact O-N 3.48Å
125G82.8Confident96Very high121 Ų12172.6 Ų72.6100%1.24742%0.416SS*.  trans-77.50173.900000111.8E121E121-G125 PolarHBondContact O-N 2.78Å

Retrieved 125 of 125 residues in 76.1 ms (Link to these results)

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