A0A077ZFK4_TRITR Loading...

Dimer Tnp hAT domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 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
1M65.1Low89.7Confident130 Ų13055.3 Ų55.364%0.6429%0.29SS*.  0-73.60-144.5166.592.400111.8L3 N4 I5 D16M1-L3 PolarHBondContact O-N 3.47Å; M1-N4 WeakPolarHBondContact O-CB 3.44Å; M1-N4 PolarHBondContact O-N 3.25Å; M1-I5 PolarHBondContact O-N 2.98Å; M1-D16 WeakPolarHBondContact CE-O 3.43Å; M1-D16 HydrophobicContact CG-CB 4.36Å; M1-D16 WeakPolarHBondContact CG-O 3.47Å; M1-D16 HydrophobicContact SD-CB 4.13Å
2Q83.4Confident90.1Very high92 Ų9252.3 Ų52.343%0.4328%0.276SS..Hα-helixtrans-60.3-41.8-174-64.6-176.512.900114.6N4 I5 H62 Y66Q2-N4 PolarHBondContact O-N 2.92Å; Q2-I5 WeakPolarHBondContact O-CB 3.25Å; Q2-I5 PolarHBondContact O-N 3.24Å; Q2-H62 PolarHBondContact O-CE1 3.47Å; Q2-H62 PolarHBondContact O-NE2 3.48Å; Q2-Y66 HydrophobicContact CB-CE2 4.18Å; Q2-Y66 WeakPolarHBondContact CB-OH 3.38Å; Q2-Y66 PolarHBondContact OE1-OH 2.65Å; Q2-Y66 VanDerWaalsContact OE1-OH 3.09Å
3L88.1Confident90.4Very high71 Ų7156.7 Ų56.737%0.37229%0.294SS..Hα-helixtrans-62-32.6175.4-179.364000112.7M1 I5 F6 A7 Y66 F70M1-L3 PolarHBondContact O-N 3.47Å; L3-I5 VanDerWaalsContact C-N 3.29Å; L3-I5 PolarHBondContact O-N 3.03Å; L3-F6 HydrophobicContact CD1-CD1 4.05Å; L3-F6 WeakPolarHBondContact O-CA 3.32Å; L3-F6 WeakPolarHBondContact O-CB 3.41Å; L3-F6 PolarHBondContact O-N 2.94Å; L3-A7 WeakPolarHBondContact O-CB 3.33Å; L3-A7 PolarHBondContact O-N 3.42Å; L3-Y66 HydrophobicContact CB-CD1 4.44Å; L3-Y66 HydrophobicContact CB-CE1 4.2Å; L3-Y66 HydrophobicContact CD1-CD1 3.55Å; L3-Y66 HydrophobicContact CD1-CE1 4.15Å; L3-Y66 HydrophobicContact CD1-CG 4.12Å; L3-F70 HydrophobicContact CD1-CE2 3.96Å; L3-F70 HydrophobicContact CD1-CZ 3.8Å; L3-F70 HydrophobicContact CD2-CZ 4.48Å
4N91.8Very high90.5Very high73 Ų7354.1 Ų54.139%0.3928%0.282SS..Hα-helixtrans-68.4-31.3-179.2-65.4-2000111.5M1 Q2 F6 A7 I8 V12M1-N4 WeakPolarHBondContact O-CB 3.44Å; M1-N4 PolarHBondContact O-N 3.25Å; Q2-N4 PolarHBondContact O-N 2.92Å; N4-F6 PolarHBondContact O-N 3.46Å; N4-A7 PolarHBondContact O-N 3.25Å; N4-I8 HydrophobicContact CB-CD1 4.12Å; N4-I8 HydrophobicContact CB-CG1 3.85Å; N4-I8 CarbonylContact O-C 3.31Å; N4-I8 VanDerWaalsContact O-C 3.31Å; N4-I8 WeakPolarHBondContact O-CA 3.34Å; N4-I8 VanDerWaalsContact O-CG1 3.3Å; N4-I8 WeakPolarHBondContact O-CG1 3.4Å; N4-I8 PolarHBondContact O-N 3.02Å; N4-V12 HydrophobicContact CB-CG1 3.89Å
5I92.9Very high90.6Very high1 Ų159.1 Ų59.11%0.00531%0.309CS..Hα-helixtrans-59.5-33.4172.7-53.2173000110.5M1 Q2 L3 P9 V17 L21 I25 Y47 L59M1-I5 PolarHBondContact O-N 2.98Å; Q2-I5 WeakPolarHBondContact O-CB 3.25Å; Q2-I5 PolarHBondContact O-N 3.24Å; L3-I5 VanDerWaalsContact C-N 3.29Å; L3-I5 PolarHBondContact O-N 3.03Å; I5-P9 WeakPolarHBondContact O-CB 3.45Å; I5-V17 HydrophobicContact CD1-CG1 4.07Å; I5-V17 HydrophobicContact CD1-CG2 4.29Å; I5-V17 HydrophobicContact CG1-CG2 4.23Å; I5-L21 HydrophobicContact CD1-CD1 4.21Å; I5-L21 HydrophobicContact CG2-CD1 4.41Å; I5-I25 HydrophobicContact CG2-CD1 3.71Å; I5-I25 HydrophobicContact CG2-CG1 4.18Å; I5-Y47 PolarHBondContact O-OH 3.47Å; I5-L59 HydrophobicContact CG2-CD1 4.28Å
6F93.2Very high90.7Very high6 Ų661.4 Ų61.43%0.02632%0.322CS..Hα-helixtrans-81.8-45.3173.3169.4-107000112.7L3 N4 L43 L44 Y47 A63 Y66 A67 F70L3-F6 HydrophobicContact CD1-CD1 4.05Å; L3-F6 WeakPolarHBondContact O-CA 3.32Å; L3-F6 WeakPolarHBondContact O-CB 3.41Å; L3-F6 PolarHBondContact O-N 2.94Å; N4-F6 PolarHBondContact O-N 3.46Å; F6-L43 HydrophobicContact CD1-CD2 4.01Å; F6-L43 HydrophobicContact CE1-CD2 3.47Å; F6-L43 VanDerWaalsContact CE1-CD2 3.47Å; F6-L43 HydrophobicContact CE1-CG 4.44Å; F6-L43 HydrophobicContact CE2-CD2 4.15Å; F6-L43 HydrophobicContact CE2-CG 4.32Å; F6-L43 HydrophobicContact CZ-CD2 3.56Å; F6-L43 HydrophobicContact CZ-CG 4.06Å; F6-L43 WeakPolarHBondContact O-CD1 3.45Å; F6-L44 HydrophobicContact CE2-CD2 4.34Å; F6-L44 HydrophobicContact CZ-CD2 3.85Å; F6-Y47 WeakPolarHBondContact CA-OH 3.26Å; F6-Y47 AromaticContact CD2-CD2 3.97Å; F6-Y47 HydrophobicContact CD2-CD2 3.97Å; F6-Y47 AromaticContact CD2-CE2 3.38Å; F6-Y47 HydrophobicContact CD2-CE2 3.38Å; F6-Y47 AromaticContact CD2-CZ 3.91Å; F6-Y47 AromaticContact CE2-CD2 3.61Å; F6-Y47 HydrophobicContact CE2-CD2 3.61Å; F6-Y47 AromaticContact CE2-CE2 3.49Å; F6-Y47 HydrophobicContact CE2-CE2 3.49Å; F6-Y47 VanDerWaalsContact CE2-CE2 3.49Å; F6-Y47 HydrophobicContact CG-CE2 4.38Å; F6-Y47 WeakPolarHBondContact O-CE2 3.39Å; F6-Y47 PolarHBondContact O-OH 2.98Å; F6-Y47 VanDerWaalsContact O-OH 3.09Å; F6-A63 HydrophobicContact CD2-CB 3.8Å; F6-A63 HydrophobicContact CE2-CB 4.12Å; F6-Y66 HydrophobicContact CB-CD2 4.3Å; F6-Y66 HydrophobicContact CB-CG 4.25Å; F6-A67 HydrophobicContact CE2-CB 4.27Å; F6-A67 HydrophobicContact CZ-CB 4.17Å; F6-F70 HydrophobicContact CD1-CE2 4.22Å; F6-F70 HydrophobicContact CE1-CD2 4.29Å; F6-F70 AromaticContact CE1-CE2 3.79Å; F6-F70 HydrophobicContact CE1-CE2 3.79Å
7A93.1Very high90.7Very high33 Ų3358.2 Ų58.227%0.27331%0.305SS..Hα-helixtrans-76.8-40.8-170.800000113.2L3 N4 Y38L3-A7 WeakPolarHBondContact O-CB 3.33Å; L3-A7 PolarHBondContact O-N 3.42Å; N4-A7 PolarHBondContact O-N 3.25Å; A7-Y38 PolarHBondContact O-OH 2.95Å
8I94.3Very high90.8Very high63 Ų6357.1 Ų57.132%0.32330%0.302SS..  trans-136.355-172.753.9168.3000111.5N4 F10 N11 V12N4-I8 HydrophobicContact CB-CD1 4.12Å; N4-I8 HydrophobicContact CB-CG1 3.85Å; N4-I8 CarbonylContact O-C 3.31Å; N4-I8 VanDerWaalsContact O-C 3.31Å; N4-I8 WeakPolarHBondContact O-CA 3.34Å; N4-I8 VanDerWaalsContact O-CG1 3.3Å; N4-I8 WeakPolarHBondContact O-CG1 3.4Å; N4-I8 PolarHBondContact O-N 3.02Å; I8-F10 PolarHBondContact O-N 2.85Å; I8-N11 HydrophobicContact CB-CB 4.35Å; I8-N11 HydrophobicContact CD1-CB 4.43Å; I8-N11 PolarHBondContact O-N 2.89Å; I8-V12 HydrophobicContact CG1-CG1 4.35Å; I8-V12 PolarHBondContact O-N 3.49Å
9P94.6Very high90.9Very high0 Ų061.1 Ų61.10%032%0.324CS..THydrogen-bonded Turntrans-57.3-22.8-173.722.8-34000114.4I5 V12 I25 L28 Q29 Y38I5-P9 WeakPolarHBondContact O-CB 3.45Å; P9-V12 WeakPolarHBondContact O-CG2 3.38Å; P9-I25 HydrophobicContact CB-CD1 4.36Å; P9-L28 HydrophobicContact CB-CD2 3.65Å; P9-L28 HydrophobicContact CG-CD2 4.27Å; P9-Q29 PolarHBondContact O-NE2 3.31Å; P9-Y38 HydrophobicContact CG-CD2 4.31Å; P9-Y38 HydrophobicContact CG-CE2 3.98Å
10F95.9Very high90.8Very high17 Ų1765.2 Ų65.28%0.07534%0.341CS..THydrogen-bonded Turntrans-85.6-9.3179-69.2-87.2000114.8I8 L28 Q29 L34 K35 Y38 F46I8-F10 PolarHBondContact O-N 2.85Å; F10-L28 HydrophobicContact CE1-CD1 4.49Å; F10-L28 HydrophobicContact CE1-CG 4.07Å; F10-L28 VanDerWaalsContact CE1-O 3.26Å; F10-L28 WeakPolarHBondContact CE1-O 3.46Å; F10-L28 HydrophobicContact CE2-CD2 4.37Å; F10-L28 HydrophobicContact CE2-CG 4.35Å; F10-L28 HydrophobicContact CZ-CD1 3.89Å; F10-L28 HydrophobicContact CZ-CD2 4.31Å; F10-L28 HydrophobicContact CZ-CG 3.8Å; F10-Q29 HydrophobicContact CD1-CG 4.46Å; F10-L34 HydrophobicContact CZ-CB 4.1Å; F10-K35 HydrophobicContact CD1-CB 3.82Å; F10-K35 HydrophobicContact CD1-CD 4.11Å; F10-K35 HydrophobicContact CD1-CG 3.8Å; F10-K35 HydrophobicContact CE1-CB 3.57Å; F10-K35 HydrophobicContact CE1-CG 4.08Å; F10-K35 HydrophobicContact CG-CG 4.19Å; F10-K35 HydrophobicContact CZ-CB 4.13Å; F10-Y38 AromaticContact CD2-CD1 3.71Å; F10-Y38 HydrophobicContact CD2-CD1 3.71Å; F10-Y38 HydrophobicContact CD2-CD2 4Å; F10-Y38 HydrophobicContact CD2-CE1 4.22Å; F10-Y38 HydrophobicContact CD2-CE2 4.47Å; F10-Y38 AromaticContact CD2-CG 3.6Å; F10-Y38 HydrophobicContact CD2-CG 3.6Å; F10-Y38 VanDerWaalsContact CE2-CB 3.45Å; F10-Y38 HydrophobicContact CE2-CD1 4.13Å; F10-Y38 AromaticContact CE2-CD2 3.94Å; F10-Y38 HydrophobicContact CE2-CD2 3.94Å; F10-Y38 AromaticContact CE2-CG 3.57Å; F10-Y38 HydrophobicContact CE2-CG 3.57Å; F10-F46 HydrophobicContact CE2-CE1 4.44Å; F10-F46 HydrophobicContact CE2-CE2 4.47Å; F10-F46 AromaticContact CE2-CZ 3.86Å; F10-F46 HydrophobicContact CE2-CZ 3.86Å; F10-F46 HydrophobicContact CZ-CZ 4.19Å
11N94.4Very high90.9Very high122 Ų12262.1 Ų62.165%0.65233%0.325SS*.SBendtrans-123.512.9-174.4-61.719.7000112.2I8I8-N11 HydrophobicContact CB-CB 4.35Å; I8-N11 HydrophobicContact CD1-CB 4.43Å; I8-N11 PolarHBondContact O-N 2.89Å
12V94.2Very high92.2Very high20 Ų2058.3 Ų58.312%0.12131%0.306CS..SBendtrans-88.6138.9172.6-66.20000109.5N4 I8 P9 P14 V17 I25 Q29N4-V12 HydrophobicContact CB-CG1 3.89Å; I8-V12 HydrophobicContact CG1-CG1 4.35Å; I8-V12 PolarHBondContact O-N 3.49Å; P9-V12 WeakPolarHBondContact O-CG2 3.38Å; V12-P14 WeakPolarHBondContact O-CD 3.39Å; V12-V17 HydrophobicContact CB-CG2 4.33Å; V12-V17 HydrophobicContact CG2-CG2 3.98Å; V12-I25 HydrophobicContact CG2-CG2 3.71Å; V12-Q29 PolarHBondContact O-NE2 3.42Å
13E94.3Very high92.7Very high109 Ų10960.1 Ų60.151%0.50931%0.314SS..  trans-69.7124.8170.5-171.858.7-125.600108.7D15 D16E13-D15 HydrophobicContact CG-CB 4.17Å; E13-D15 PolarHBondContact O-N 3Å; E13-D16 HydrophobicContact CB-CB 4.27Å; E13-D16 PolarHBondContact O-N 3.23Å
14P91.5Very high92.9Very high20 Ų2059 Ų5913%0.1331%0.306CS..G310 helixtrans-55.2-34.4177.3-29.337.5000113.6V12 D16 V17 Q22 I26V12-P14 WeakPolarHBondContact O-CD 3.39Å; P14-D16 PolarHBondContact O-N 3.39Å; P14-V17 WeakPolarHBondContact O-CB 3.45Å; P14-V17 PolarHBondContact O-N 2.97Å; P14-Q22 WeakPolarHBondContact O-CG 3.47Å; P14-I26 HydrophobicContact CB-CD1 4.02Å; P14-I26 HydrophobicContact CB-CG1 3.73Å; P14-I26 HydrophobicContact CG-CD1 4.5Å; P14-I26 HydrophobicContact CG-CG1 3.77Å
15D91.6Very high93Very high129 Ų12955.5 Ų55.569%0.6929%0.287SS*.G310 helixtrans-65.6-23.3178.2-67.4-16.9000113E13 V17E13-D15 HydrophobicContact CG-CB 4.17Å; E13-D15 PolarHBondContact O-N 3Å; D15-V17 VanDerWaalsContact C-N 3.33Å
16D92.1Very high93.1Very high97 Ų9759.6 Ų59.652%0.51931%0.308SS..G310 helixtrans-89.95.8175.6-69.9-31.3000112.6M1 E13 P14M1-D16 WeakPolarHBondContact CE-O 3.43Å; M1-D16 HydrophobicContact CG-CB 4.36Å; M1-D16 WeakPolarHBondContact CG-O 3.47Å; M1-D16 HydrophobicContact SD-CB 4.13Å; E13-D16 HydrophobicContact CB-CB 4.27Å; E13-D16 PolarHBondContact O-N 3.23Å; P14-D16 PolarHBondContact O-N 3.39Å
17V92.2Very high93.2Very high6 Ų662.9 Ų62.94%0.03632%0.324CS..SBendtrans-101.2143.2-179.4173.80000109.3I5 V12 P14 D15 D19 L21 Q22 I25I5-V17 HydrophobicContact CD1-CG1 4.07Å; I5-V17 HydrophobicContact CD1-CG2 4.29Å; I5-V17 HydrophobicContact CG1-CG2 4.23Å; V12-V17 HydrophobicContact CB-CG2 4.33Å; V12-V17 HydrophobicContact CG2-CG2 3.98Å; P14-V17 WeakPolarHBondContact O-CB 3.45Å; P14-V17 PolarHBondContact O-N 2.97Å; D15-V17 VanDerWaalsContact C-N 3.33Å; V17-D19 PolarHBondContact O-N 3.41Å; V17-L21 HydrophobicContact CG1-CB 3.38Å; V17-Q22 HydrophobicContact CB-CG 4.05Å; V17-Q22 HydrophobicContact CG1-CG 4.23Å; V17-Q22 WeakPolarHBondContact O-CG 2.94Å; V17-Q22 PolarHBondContact O-NE2 2.83Å; V17-I25 HydrophobicContact CG1-CG1 4Å; V17-I25 HydrophobicContact CG2-CG1 4.38Å; V17-I25 HydrophobicContact CG2-CG2 4.41Å
18P92.4Very high93.3Very high38 Ų3861.3 Ų61.325%0.24731%0.311CS..  trans-55.1139.6172.7-2534.3000111.8E20 L21 Q22P18-E20 HydrophobicContact CB-CG 4.12Å; P18-E20 PolarHBondContact O-N 3.39Å; P18-L21 WeakPolarHBondContact O-CA 3.15Å; P18-L21 PolarHBondContact O-N 3.27Å; P18-Q22 PolarHBondContact O-N 3.33Å; P18-Q22 VanDerWaalsContact O-N 3.14Å
19D91.4Very high93.4Very high134 Ų13460.5 Ų60.572%0.71731%0.306SS*.Hα-helixtrans-47.9-38.3-175.1-59-16.9000113.7V17 L21 Q22V17-D19 PolarHBondContact O-N 3.41Å; D19-L21 PolarHBondContact O-N 3.17Å; D19-Q22 PolarHBondContact O-N 3.47Å; D19-Q22 PolarHBondContact OD1-NE2 3.49Å
20E90.3Very high93.5Very high142 Ų14264.8 Ų64.866%0.66434%0.335SS*.Hα-helixtrans-62.5-20.4177.858.5169.1-164.800114.7P18P18-E20 HydrophobicContact CB-CG 4.12Å; P18-E20 PolarHBondContact O-N 3.39Å
21L91.7Very high93.5Very high1 Ų166.7 Ų66.71%0.00535%0.347CS..Hα-helixtrans-110.1-21.6-178.3-78.6167.8000112.8I5 V17 P18 D19 H23 K24 I25 V58 L59 H62I5-L21 HydrophobicContact CD1-CD1 4.21Å; I5-L21 HydrophobicContact CG2-CD1 4.41Å; V17-L21 HydrophobicContact CG1-CB 3.38Å; P18-L21 WeakPolarHBondContact O-CA 3.15Å; P18-L21 PolarHBondContact O-N 3.27Å; D19-L21 PolarHBondContact O-N 3.17Å; L21-H23 PolarHBondContact O-N 3.43Å; L21-K24 PolarHBondContact O-N 3.43Å; L21-I25 WeakPolarHBondContact O-CG1 3.2Å; L21-I25 PolarHBondContact O-N 2.73Å; L21-V58 HydrophobicContact CD2-CB 4.06Å; L21-V58 HydrophobicContact CD2-CG1 3.57Å; L21-V58 HydrophobicContact CG-CG1 3.97Å; L21-L59 HydrophobicContact CD2-CB 4.25Å; L21-H62 HydrophobicContact CD1-CB 4.43Å
22Q93.6Very high93.6Very high50 Ų5066.8 Ų66.823%0.23435%0.347CS..Hα-helixtrans-51.9-54-174.2-71.6-178.93.200112.3P14 V17 P18 D19 K24 I25 I26P14-Q22 WeakPolarHBondContact O-CG 3.47Å; V17-Q22 HydrophobicContact CB-CG 4.05Å; V17-Q22 HydrophobicContact CG1-CG 4.23Å; V17-Q22 WeakPolarHBondContact O-CG 2.94Å; V17-Q22 PolarHBondContact O-NE2 2.83Å; P18-Q22 PolarHBondContact O-N 3.33Å; P18-Q22 VanDerWaalsContact O-N 3.14Å; D19-Q22 PolarHBondContact O-N 3.47Å; D19-Q22 PolarHBondContact OD1-NE2 3.49Å; Q22-K24 PolarHBondContact O-N 3.11Å; Q22-I25 PolarHBondContact O-N 3.18Å; Q22-I25 VanDerWaalsContact O-N 3.15Å; Q22-I26 WeakPolarHBondContact O-CG1 3.3Å; Q22-I26 PolarHBondContact O-N 3.32Å
23H93Very high93.7Very high131 Ų13173.2 Ų73.261%0.60638%0.376SS*.Hα-helixtrans-59-37.5-179.8-178.369000112.5L21 Q27L21-H23 PolarHBondContact O-N 3.43Å; H23-Q27 WeakPolarHBondContact O-CB 3.37Å; H23-Q27 PolarHBondContact O-N 2.9Å
24K91.9Very high93.8Very high46 Ų4668.9 Ų68.920%0.236%0.356CS..Hα-helixtrans-75.1-32.9179.4-67.9-63.2173.6-174.40113L21 Q22 L28 E55 F56L21-K24 PolarHBondContact O-N 3.43Å; Q22-K24 PolarHBondContact O-N 3.11Å; K24-L28 VanDerWaalsContact O-CB 3.25Å; K24-L28 WeakPolarHBondContact O-CB 3.49Å; K24-L28 PolarHBondContact O-N 2.99Å; K24-E55 WeakPolarHBondContact CE-O 3.46Å; K24-E55 PolarHBondContact NZ-O 2.82Å; K24-F56 HydrophobicContact CB-CD1 4.46Å; K24-F56 HydrophobicContact CD-CD1 4.16Å
25I94.9Very high94Very high0 Ų071.9 Ų71.90%037%0.367CS..Hα-helixtrans-69.3-43.5173-71.3-62000110.7I5 P9 V12 V17 L21 Q22 Q27 L28 Q29 L59I5-I25 HydrophobicContact CG2-CD1 3.71Å; I5-I25 HydrophobicContact CG2-CG1 4.18Å; P9-I25 HydrophobicContact CB-CD1 4.36Å; V12-I25 HydrophobicContact CG2-CG2 3.71Å; V17-I25 HydrophobicContact CG1-CG1 4Å; V17-I25 HydrophobicContact CG2-CG1 4.38Å; V17-I25 HydrophobicContact CG2-CG2 4.41Å; L21-I25 WeakPolarHBondContact O-CG1 3.2Å; L21-I25 PolarHBondContact O-N 2.73Å; Q22-I25 PolarHBondContact O-N 3.18Å; Q22-I25 VanDerWaalsContact O-N 3.15Å; I25-Q27 PolarHBondContact O-N 2.83Å; I25-L28 HydrophobicContact CD1-CD2 4.44Å; I25-L28 PolarHBondContact O-N 3.23Å; I25-Q29 HydrophobicContact CG2-CG 4.26Å; I25-Q29 VanDerWaalsContact O-CB 3.32Å; I25-Q29 WeakPolarHBondContact O-CB 3.36Å; I25-Q29 VanDerWaalsContact O-CG 3.25Å; I25-Q29 WeakPolarHBondContact O-CG 3.39Å; I25-Q29 PolarHBondContact O-N 2.84Å; I25-L59 HydrophobicContact CD1-CD1 3.89Å
26I95.3Very high94.3Very high87 Ų8768 Ų6845%0.44635%0.352SS..Hα-helixtrans-60.2-48.6174.9-66.5165.1000110.3P14 Q22 L28 Q29 S30P14-I26 HydrophobicContact CB-CD1 4.02Å; P14-I26 HydrophobicContact CB-CG1 3.73Å; P14-I26 HydrophobicContact CG-CD1 4.5Å; P14-I26 HydrophobicContact CG-CG1 3.77Å; Q22-I26 WeakPolarHBondContact O-CG1 3.3Å; Q22-I26 PolarHBondContact O-N 3.32Å; I26-L28 VanDerWaalsContact C-N 3.32Å; I26-L28 PolarHBondContact O-N 3.42Å; I26-Q29 PolarHBondContact O-N 2.78Å; I26-S30 PolarHBondContact O-N 3.11Å; I26-S30 PolarHBondContact O-OG 3.26Å
27Q94.7Very high94.6Very high75 Ų7567.3 Ų67.335%0.3535%0.345SS..Hα-helixtrans-56.4-47.3176.6-175.9-178.66.100111.3H23 I25 S30 F56H23-Q27 WeakPolarHBondContact O-CB 3.37Å; H23-Q27 PolarHBondContact O-N 2.9Å; I25-Q27 PolarHBondContact O-N 2.83Å; Q27-S30 PolarHBondContact O-N 2.98Å; Q27-S30 PolarHBondContact O-OG 3.47Å; Q27-F56 HydrophobicContact CB-CE1 4.41Å; Q27-F56 HydrophobicContact CG-CE1 4.22Å; Q27-F56 HydrophobicContact CG-CZ 4.37Å
28L95.7Very high94.8Very high0 Ų069 Ų690%035%0.351CS..Hα-helixtrans-61.7-45.4177.6179.472.2000112.2P9 F10 K24 I25 I26 S30 D31 L34 F46 I51 F56 L59P9-L28 HydrophobicContact CB-CD2 3.65Å; P9-L28 HydrophobicContact CG-CD2 4.27Å; F10-L28 HydrophobicContact CE1-CD1 4.49Å; F10-L28 HydrophobicContact CE1-CG 4.07Å; F10-L28 VanDerWaalsContact CE1-O 3.26Å; F10-L28 WeakPolarHBondContact CE1-O 3.46Å; F10-L28 HydrophobicContact CE2-CD2 4.37Å; F10-L28 HydrophobicContact CE2-CG 4.35Å; F10-L28 HydrophobicContact CZ-CD1 3.89Å; F10-L28 HydrophobicContact CZ-CD2 4.31Å; F10-L28 HydrophobicContact CZ-CG 3.8Å; K24-L28 VanDerWaalsContact O-CB 3.25Å; K24-L28 WeakPolarHBondContact O-CB 3.49Å; K24-L28 PolarHBondContact O-N 2.99Å; I25-L28 HydrophobicContact CD1-CD2 4.44Å; I25-L28 PolarHBondContact O-N 3.23Å; I26-L28 VanDerWaalsContact C-N 3.32Å; I26-L28 PolarHBondContact O-N 3.42Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 3.34Å; L28-D31 PolarHBondContact O-N 3.15Å; L28-L34 HydrophobicContact CD1-CB 4.33Å; L28-L34 HydrophobicContact CD1-CD1 3.74Å; L28-F46 HydrophobicContact CD1-CZ 4.35Å; L28-I51 HydrophobicContact CD1-CD1 3.73Å; L28-F56 HydrophobicContact CB-CE1 3.98Å; L28-F56 HydrophobicContact CB-CZ 4.47Å; L28-F56 HydrophobicContact CD1-CE1 4.36Å; L28-F56 HydrophobicContact CD1-CZ 4.25Å; L28-L59 HydrophobicContact CD2-CD2 3.74Å
29Q96.2Very high95Very high47 Ų4772.6 Ų72.622%0.2237%0.368CS..Hα-helixtrans-67.8-26.5-177.2-77.2177.7-3.500113.1P9 F10 V12 I25 I26 D31P9-Q29 PolarHBondContact O-NE2 3.31Å; F10-Q29 HydrophobicContact CD1-CG 4.46Å; V12-Q29 PolarHBondContact O-NE2 3.42Å; I25-Q29 HydrophobicContact CG2-CG 4.26Å; I25-Q29 VanDerWaalsContact O-CB 3.32Å; I25-Q29 WeakPolarHBondContact O-CB 3.36Å; I25-Q29 VanDerWaalsContact O-CG 3.25Å; I25-Q29 WeakPolarHBondContact O-CG 3.39Å; I25-Q29 PolarHBondContact O-N 2.84Å; I26-Q29 PolarHBondContact O-N 2.78Å; Q29-D31 PolarHBondContact O-N 3.01Å
30S95.6Very high95.2Very high89 Ų8972 Ų7262%0.62237%0.365SS*.THydrogen-bonded Turntrans-75.7-9.617568.70000114.3I26 Q27 L28I26-S30 PolarHBondContact O-N 3.11Å; I26-S30 PolarHBondContact O-OG 3.26Å; Q27-S30 PolarHBondContact O-N 2.98Å; Q27-S30 PolarHBondContact O-OG 3.47Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 3.34Å
31D95.9Very high95.5Very high58 Ų5868.5 Ų68.531%0.3135%0.348SS..  trans-97.8100.5-177.6-169.5-38000111.2L28 Q29 E33 L34 K35L28-D31 PolarHBondContact O-N 3.15Å; Q29-D31 PolarHBondContact O-N 3.01Å; D31-E33 VanDerWaalsContact C-N 3.28Å; D31-E33 PolarHBondContact O-N 3.41Å; D31-E33 WeakPolarHBondContact OD1-CA 3.46Å; D31-E33 WeakPolarHBondContact OD1-CB 3.25Å; D31-E33 PolarHBondContact OD1-N 3.14Å; D31-L34 HydrophobicContact CB-CB 4Å; D31-L34 HydrophobicContact CB-CD1 3.92Å; D31-L34 HydrophobicContact CB-CG 4.1Å; D31-L34 VanDerWaalsContact CG-CG 3.49Å; D31-L34 PolarHBondContact O-N 2.86Å; D31-L34 PolarHBondContact OD1-N 3.03Å; D31-L34 WeakPolarHBondContact OD2-CD1 3.45Å; D31-L34 WeakPolarHBondContact OD2-CG 3.34Å; D31-K35 PolarHBondContact O-N 3.26Å
32D96.3Very high95.7Very high123 Ų12372.8 Ų72.866%0.65838%0.375SS*.Hα-helixtrans-65.9-29.4179.1-74.7-38.3000112.9K35 A36D32-K35 PolarHBondContact O-N 3.24Å; D32-A36 WeakPolarHBondContact O-CB 3.34Å; D32-A36 PolarHBondContact O-N 2.9Å
33E96.5Very high95.7Very high155 Ų15572.7 Ų72.772%0.72438%0.377SS*.Hα-helixtrans-69.5-46.9177.2-63.7-169-177.900110.3D31 K35 A36 K37D31-E33 VanDerWaalsContact C-N 3.28Å; D31-E33 PolarHBondContact O-N 3.41Å; D31-E33 WeakPolarHBondContact OD1-CA 3.46Å; D31-E33 WeakPolarHBondContact OD1-CB 3.25Å; D31-E33 PolarHBondContact OD1-N 3.14Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 3.42Å; E33-A36 WeakPolarHBondContact O-CB 3.28Å; E33-A36 PolarHBondContact O-N 2.8Å; E33-K37 WeakPolarHBondContact O-CG 3.27Å; E33-K37 PolarHBondContact O-N 3.26Å
34L96.5Very high95.6Very high19 Ų1971.4 Ų71.410%0.09937%0.373CS..Hα-helixtrans-61.5-38.9174.5-71.9178.8000111.3F10 L28 D31 K37 Y38 F46 F56F10-L34 HydrophobicContact CZ-CB 4.1Å; L28-L34 HydrophobicContact CD1-CB 4.33Å; L28-L34 HydrophobicContact CD1-CD1 3.74Å; D31-L34 HydrophobicContact CB-CB 4Å; D31-L34 HydrophobicContact CB-CD1 3.92Å; D31-L34 HydrophobicContact CB-CG 4.1Å; D31-L34 VanDerWaalsContact CG-CG 3.49Å; D31-L34 PolarHBondContact O-N 2.86Å; D31-L34 PolarHBondContact OD1-N 3.03Å; D31-L34 WeakPolarHBondContact OD2-CD1 3.45Å; D31-L34 WeakPolarHBondContact OD2-CG 3.34Å; L34-K37 PolarHBondContact O-N 3.17Å; L34-Y38 WeakPolarHBondContact O-CB 3.4Å; L34-Y38 PolarHBondContact O-N 2.78Å; L34-F46 WeakPolarHBondContact O-CE2 3.39Å; L34-F56 HydrophobicContact CD1-CE2 3.98Å; L34-F56 HydrophobicContact CD1-CZ 4.03Å
35K97.3Very high95.7Very high83 Ų8371.8 Ų71.836%0.36138%0.376SS..Hα-helixtrans-61.5-43.6173.8-169.5173.1-176.21730112F10 D31 D32 E33 K37 Y38 N39F10-K35 HydrophobicContact CD1-CB 3.82Å; F10-K35 HydrophobicContact CD1-CD 4.11Å; F10-K35 HydrophobicContact CD1-CG 3.8Å; F10-K35 HydrophobicContact CE1-CB 3.57Å; F10-K35 HydrophobicContact CE1-CG 4.08Å; F10-K35 HydrophobicContact CG-CG 4.19Å; F10-K35 HydrophobicContact CZ-CB 4.13Å; D31-K35 PolarHBondContact O-N 3.26Å; D32-K35 PolarHBondContact O-N 3.24Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 3.42Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.23Å; K35-Y38 PolarHBondContact O-N 3.27Å; K35-N39 PolarHBondContact O-N 2.71Å; K35-N39 VanDerWaalsContact O-N 3.11Å; K35-N39 PolarHBondContact O-ND2 2.99Å
36A97.3Very high95.8Very high46 Ų4671.8 Ų71.838%0.3838%0.376SS..Hα-helixtrans-62.9-40.4174.600000111.6D32 E33 N39 N40D32-A36 WeakPolarHBondContact O-CB 3.34Å; D32-A36 PolarHBondContact O-N 2.9Å; E33-A36 WeakPolarHBondContact O-CB 3.28Å; E33-A36 PolarHBondContact O-N 2.8Å; A36-N39 PolarHBondContact O-N 3.45Å; A36-N40 WeakPolarHBondContact O-CB 3.41Å; A36-N40 PolarHBondContact O-N 3.38Å; A36-N40 PolarHBondContact O-ND2 3.06Å
37K97.3Very high95.8Very high83 Ų8368.3 Ų68.336%0.36136%0.357SS..Hα-helixtrans-65.1-42.8174.3-62.5-51.8179.1-172.30112E33 L34 K35 N39 N40 F41 F46 Y50E33-K37 WeakPolarHBondContact O-CG 3.27Å; E33-K37 PolarHBondContact O-N 3.26Å; L34-K37 PolarHBondContact O-N 3.17Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.23Å; K37-N39 VanDerWaalsContact C-N 3.27Å; K37-N39 PolarHBondContact O-N 3.09Å; K37-N40 PolarHBondContact O-N 3.09Å; K37-N40 VanDerWaalsContact O-N 3.11Å; K37-F41 HydrophobicContact CB-CD2 4.48Å; K37-F41 HydrophobicContact CD-CE2 4.11Å; K37-F41 WeakPolarHBondContact O-CD2 3.09Å; K37-F41 PolarHBondContact O-N 2.84Å; K37-F41 VanDerWaalsContact O-N 3.09Å; K37-F46 HydrophobicContact CB-CD2 4.35Å; K37-Y50 HydrophobicContact CB-CD1 4.46Å; K37-Y50 HydrophobicContact CB-CD2 3.78Å; K37-Y50 HydrophobicContact CB-CE2 3.83Å; K37-Y50 HydrophobicContact CB-CG 4.12Å; K37-Y50 HydrophobicContact CD-CE1 4.04Å; K37-Y50 HydrophobicContact CD-CE2 4.29Å; K37-Y50 HydrophobicContact CG-CD1 4.06Å; K37-Y50 HydrophobicContact CG-CD2 4.23Å; K37-Y50 HydrophobicContact CG-CE1 3.93Å; K37-Y50 HydrophobicContact CG-CE2 4.11Å; K37-Y50 HydrophobicContact CG-CG 4.22Å
38Y96.9Very high95.8Very high42 Ų4271.8 Ų71.817%0.16537%0.371CS..Hα-helixtrans-56.2-42.3177171.7-95.6000112.2A7 P9 F10 L34 K35 N40 L43 F46A7-Y38 PolarHBondContact O-OH 2.95Å; P9-Y38 HydrophobicContact CG-CD2 4.31Å; P9-Y38 HydrophobicContact CG-CE2 3.98Å; F10-Y38 AromaticContact CD2-CD1 3.71Å; F10-Y38 HydrophobicContact CD2-CD1 3.71Å; F10-Y38 HydrophobicContact CD2-CD2 4Å; F10-Y38 HydrophobicContact CD2-CE1 4.22Å; F10-Y38 HydrophobicContact CD2-CE2 4.47Å; F10-Y38 AromaticContact CD2-CG 3.6Å; F10-Y38 HydrophobicContact CD2-CG 3.6Å; F10-Y38 VanDerWaalsContact CE2-CB 3.45Å; F10-Y38 HydrophobicContact CE2-CD1 4.13Å; F10-Y38 AromaticContact CE2-CD2 3.94Å; F10-Y38 HydrophobicContact CE2-CD2 3.94Å; F10-Y38 AromaticContact CE2-CG 3.57Å; F10-Y38 HydrophobicContact CE2-CG 3.57Å; L34-Y38 WeakPolarHBondContact O-CB 3.4Å; L34-Y38 PolarHBondContact O-N 2.78Å; K35-Y38 PolarHBondContact O-N 3.27Å; Y38-N40 VanDerWaalsContact C-N 3.32Å; Y38-N40 PolarHBondContact O-N 3.29Å; Y38-L43 HydrophobicContact CD2-CD1 4.34Å; Y38-L43 HydrophobicContact CE2-CD1 3.62Å; Y38-F46 AromaticContact CD2-CD1 3.9Å; Y38-F46 HydrophobicContact CD2-CD1 3.9Å; Y38-F46 HydrophobicContact CD2-CD2 4.49Å; Y38-F46 AromaticContact CD2-CE1 3.99Å; Y38-F46 HydrophobicContact CD2-CE1 3.99Å; Y38-F46 HydrophobicContact CD2-CG 4.15Å; Y38-F46 HydrophobicContact CD2-CZ 4.33Å
39N96.2Very high95.7Very high113 Ų11379 Ų7960%0.60440%0.398SS*.Hα-helixtrans-72.7-23.6179-68.3-32000113.9K35 A36 K37K35-N39 PolarHBondContact O-N 2.71Å; K35-N39 VanDerWaalsContact O-N 3.11Å; K35-N39 PolarHBondContact O-ND2 2.99Å; A36-N39 PolarHBondContact O-N 3.45Å; K37-N39 VanDerWaalsContact C-N 3.27Å; K37-N39 PolarHBondContact O-N 3.09Å
40N96.9Very high95.7Very high123 Ų12379.6 Ų79.666%0.65840%0.399SS*.Hα-helixtrans-96.8-13.9-174.8-75.6-48.5000114.1A36 K37 Y38A36-N40 WeakPolarHBondContact O-CB 3.41Å; A36-N40 PolarHBondContact O-N 3.38Å; A36-N40 PolarHBondContact O-ND2 3.06Å; K37-N40 PolarHBondContact O-N 3.09Å; K37-N40 VanDerWaalsContact O-N 3.11Å; Y38-N40 VanDerWaalsContact C-N 3.32Å; Y38-N40 PolarHBondContact O-N 3.29Å
41F96.1Very high95.7Very high67 Ų6775.4 Ų75.429%0.29437%0.37SS..SBendtrans-125.6148.7-175.1-70.9-86.8000111.9K37 Y50K37-F41 HydrophobicContact CB-CD2 4.48Å; K37-F41 HydrophobicContact CD-CE2 4.11Å; K37-F41 WeakPolarHBondContact O-CD2 3.09Å; K37-F41 PolarHBondContact O-N 2.84Å; K37-F41 VanDerWaalsContact O-N 3.09Å; F41-Y50 AromaticContact CD2-CE2 3.73Å; F41-Y50 HydrophobicContact CD2-CE2 3.73Å; F41-Y50 AromaticContact CE2-CE2 3.99Å; F41-Y50 HydrophobicContact CE2-CE2 3.99Å; F41-Y50 VanDerWaalsContact CE2-OH 3.28Å; F41-Y50 WeakPolarHBondContact CE2-OH 3.2Å; F41-Y50 HydrophobicContact CG-CE2 4.11Å; F41-Y50 WeakPolarHBondContact CZ-OH 3.46Å
42P94.8Very high95.6Very high91 Ų9174.1 Ų74.159%0.59137%0.366SS*.  trans-55.8145.1170.8-24.434000111.9L44 E45 F46P42-L44 VanDerWaalsContact C-N 3.31Å; P42-L44 PolarHBondContact O-N 3.09Å; P42-L44 VanDerWaalsContact O-N 3.13Å; P42-E45 HydrophobicContact CB-CB 4.45Å; P42-E45 WeakPolarHBondContact O-CA 3.49Å; P42-E45 WeakPolarHBondContact O-CB 3.45Å; P42-E45 PolarHBondContact O-N 2.82Å; P42-F46 PolarHBondContact O-N 3.11Å
43L93.5Very high95.4Very high49 Ų4972.1 Ų72.126%0.25736%0.355SS..Hα-helixtrans-49.4-46.4-172.8-173.463000114.2F6 Y38 F46 Y47F6-L43 HydrophobicContact CD1-CD2 4.01Å; F6-L43 HydrophobicContact CE1-CD2 3.47Å; F6-L43 VanDerWaalsContact CE1-CD2 3.47Å; F6-L43 HydrophobicContact CE1-CG 4.44Å; F6-L43 HydrophobicContact CE2-CD2 4.15Å; F6-L43 HydrophobicContact CE2-CG 4.32Å; F6-L43 HydrophobicContact CZ-CD2 3.56Å; F6-L43 HydrophobicContact CZ-CG 4.06Å; F6-L43 WeakPolarHBondContact O-CD1 3.45Å; Y38-L43 HydrophobicContact CD2-CD1 4.34Å; Y38-L43 HydrophobicContact CE2-CD1 3.62Å; L43-F46 WeakPolarHBondContact O-CB 3.49Å; L43-F46 PolarHBondContact O-N 3.4Å; L43-Y47 HydrophobicContact CD1-CD2 4.1Å; L43-Y47 HydrophobicContact CD1-CE2 3.66Å; L43-Y47 HydrophobicContact CG-CD2 4.15Å; L43-Y47 HydrophobicContact CG-CE2 4.03Å; L43-Y47 VanDerWaalsContact O-CD2 3.27Å; L43-Y47 WeakPolarHBondContact O-CD2 3.45Å; L43-Y47 PolarHBondContact O-N 2.81Å; L43-Y47 VanDerWaalsContact O-N 3.11Å
44L92.6Very high95.2Very high103 Ų10371.7 Ų71.754%0.53936%0.358SS..Hα-helixtrans-69.4-36179.7-64.9-178.8000112.6F6 P42 F46 K48 A67F6-L44 HydrophobicContact CE2-CD2 4.34Å; F6-L44 HydrophobicContact CZ-CD2 3.85Å; P42-L44 VanDerWaalsContact C-N 3.31Å; P42-L44 PolarHBondContact O-N 3.09Å; P42-L44 VanDerWaalsContact O-N 3.13Å; L44-F46 VanDerWaalsContact C-N 3.35Å; L44-K48 VanDerWaalsContact O-CB 3.24Å; L44-K48 WeakPolarHBondContact O-CB 3.43Å; L44-K48 PolarHBondContact O-N 2.83Å; L44-A67 HydrophobicContact CD2-CB 3.52Å
45E94.3Very high95Very high54 Ų5475.9 Ų75.925%0.25238%0.377SS..Hα-helixtrans-68.9-36.9175.1-74.8-67137.600110.8P42 K48 R49P42-E45 HydrophobicContact CB-CB 4.45Å; P42-E45 WeakPolarHBondContact O-CA 3.49Å; P42-E45 WeakPolarHBondContact O-CB 3.45Å; P42-E45 PolarHBondContact O-N 2.82Å; E45-K48 PolarHBondContact O-N 3.37Å; E45-R49 WeakPolarHBondContact O-CB 3.49Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 3.3Å; E45-R49 IonicContact OE2-CZ 3.92Å; E45-R49 IonicContact OE2-NE 3.75Å; E45-R49 PolarHBondContact OE2-NE 3.15Å; E45-R49 IonicContact OE2-NH2 2.81Å; E45-R49 PolarHBondContact OE2-NH2 3.33Å
46F95.9Very high94.8Very high0 Ų072.2 Ų72.20%036%0.36CS..Hα-helixtrans-57.7-55.3173.1167.1-100.5000111.5F10 L28 L34 K37 Y38 P42 L43 L44 K48 R49 Y50 I51F10-F46 HydrophobicContact CE2-CE1 4.44Å; F10-F46 HydrophobicContact CE2-CE2 4.47Å; F10-F46 AromaticContact CE2-CZ 3.86Å; F10-F46 HydrophobicContact CE2-CZ 3.86Å; F10-F46 HydrophobicContact CZ-CZ 4.19Å; L28-F46 HydrophobicContact CD1-CZ 4.35Å; L34-F46 WeakPolarHBondContact O-CE2 3.39Å; K37-F46 HydrophobicContact CB-CD2 4.35Å; Y38-F46 AromaticContact CD2-CD1 3.9Å; Y38-F46 HydrophobicContact CD2-CD1 3.9Å; Y38-F46 HydrophobicContact CD2-CD2 4.49Å; Y38-F46 AromaticContact CD2-CE1 3.99Å; Y38-F46 HydrophobicContact CD2-CE1 3.99Å; Y38-F46 HydrophobicContact CD2-CG 4.15Å; Y38-F46 HydrophobicContact CD2-CZ 4.33Å; P42-F46 PolarHBondContact O-N 3.11Å; L43-F46 WeakPolarHBondContact O-CB 3.49Å; L43-F46 PolarHBondContact O-N 3.4Å; L44-F46 VanDerWaalsContact C-N 3.35Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.11Å; F46-R49 PolarHBondContact O-N 3.01Å; F46-Y50 AromaticContact CD2-CD2 3.95Å; F46-Y50 HydrophobicContact CD2-CD2 3.95Å; F46-Y50 PolarHBondContact O-N 3.13Å; F46-I51 HydrophobicContact CD1-CG1 4.26Å; F46-I51 HydrophobicContact CE1-CD1 3.83Å; F46-I51 HydrophobicContact CE1-CG1 3.69Å; F46-I51 HydrophobicContact CE2-CD1 4.4Å; F46-I51 HydrophobicContact CZ-CD1 3.61Å; F46-I51 HydrophobicContact CZ-CG1 3.95Å
47Y95.3Very high94.6Very high14 Ų1472 Ų726%0.05536%0.355CS..Hα-helixtrans-61.9-33.8178.4-81.6-67.8000113.2I5 F6 L43 I51 L59 A63I5-Y47 PolarHBondContact O-OH 3.47Å; F6-Y47 WeakPolarHBondContact CA-OH 3.26Å; F6-Y47 AromaticContact CD2-CD2 3.97Å; F6-Y47 HydrophobicContact CD2-CD2 3.97Å; F6-Y47 AromaticContact CD2-CE2 3.38Å; F6-Y47 HydrophobicContact CD2-CE2 3.38Å; F6-Y47 AromaticContact CD2-CZ 3.91Å; F6-Y47 AromaticContact CE2-CD2 3.61Å; F6-Y47 HydrophobicContact CE2-CD2 3.61Å; F6-Y47 AromaticContact CE2-CE2 3.49Å; F6-Y47 HydrophobicContact CE2-CE2 3.49Å; F6-Y47 VanDerWaalsContact CE2-CE2 3.49Å; F6-Y47 HydrophobicContact CG-CE2 4.38Å; F6-Y47 WeakPolarHBondContact O-CE2 3.39Å; F6-Y47 PolarHBondContact O-OH 2.98Å; F6-Y47 VanDerWaalsContact O-OH 3.09Å; L43-Y47 HydrophobicContact CD1-CD2 4.1Å; L43-Y47 HydrophobicContact CD1-CE2 3.66Å; L43-Y47 HydrophobicContact CG-CD2 4.15Å; L43-Y47 HydrophobicContact CG-CE2 4.03Å; L43-Y47 VanDerWaalsContact O-CD2 3.27Å; L43-Y47 WeakPolarHBondContact O-CD2 3.45Å; L43-Y47 PolarHBondContact O-N 2.81Å; L43-Y47 VanDerWaalsContact O-N 3.11Å; Y47-I51 HydrophobicContact CD1-CB 3.96Å; Y47-I51 HydrophobicContact CD1-CG1 3.63Å; Y47-I51 HydrophobicContact CD1-CG2 4.14Å; Y47-I51 HydrophobicContact CE1-CG1 4.1Å; Y47-I51 HydrophobicContact CG-CG1 4.46Å; Y47-L59 HydrophobicContact CE1-CD1 4.44Å; Y47-L59 HydrophobicContact CE1-CG 4.25Å; Y47-A63 HydrophobicContact CD1-CB 3.36Å; Y47-A63 HydrophobicContact CD2-CB 4.02Å; Y47-A63 HydrophobicContact CE1-CB 3.42Å; Y47-A63 VanDerWaalsContact CE1-CB 3.42Å; Y47-A63 HydrophobicContact CE2-CB 4.04Å; Y47-A63 HydrophobicContact CG-CB 3.69Å
48K94.2Very high94.4Very high149 Ų14969.9 Ų69.965%0.64835%0.349SS*.Hα-helixtrans-71.9-40.2180-178.5-178.1175-171.80112.7L44 E45 F46L44-K48 VanDerWaalsContact O-CB 3.24Å; L44-K48 WeakPolarHBondContact O-CB 3.43Å; L44-K48 PolarHBondContact O-N 2.83Å; E45-K48 PolarHBondContact O-N 3.37Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.11Å
49R95.2Very high94.2Very high151 Ų15167.9 Ų67.957%0.5734%0.341SS*.Hα-helixtrans-95.3-35.5-170.8-65.2-174.5-168.7-1582.3113.9E45 F46E45-R49 WeakPolarHBondContact O-CB 3.49Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 3.3Å; E45-R49 IonicContact OE2-CZ 3.92Å; E45-R49 IonicContact OE2-NE 3.75Å; E45-R49 PolarHBondContact OE2-NE 3.15Å; E45-R49 IonicContact OE2-NH2 2.81Å; E45-R49 PolarHBondContact OE2-NH2 3.33Å; F46-R49 PolarHBondContact O-N 3.01Å
50Y95.9Very high94.1Very high59 Ų5966.5 Ų66.523%0.23133%0.328CS..THydrogen-bonded Turntrans-115.4-17.2-167.1-56.7-65.5000113.8K37 F41 F46 S52K37-Y50 HydrophobicContact CB-CD1 4.46Å; K37-Y50 HydrophobicContact CB-CD2 3.78Å; K37-Y50 HydrophobicContact CB-CE2 3.83Å; K37-Y50 HydrophobicContact CB-CG 4.12Å; K37-Y50 HydrophobicContact CD-CE1 4.04Å; K37-Y50 HydrophobicContact CD-CE2 4.29Å; K37-Y50 HydrophobicContact CG-CD1 4.06Å; K37-Y50 HydrophobicContact CG-CD2 4.23Å; K37-Y50 HydrophobicContact CG-CE1 3.93Å; K37-Y50 HydrophobicContact CG-CE2 4.11Å; K37-Y50 HydrophobicContact CG-CG 4.22Å; F41-Y50 AromaticContact CD2-CE2 3.73Å; F41-Y50 HydrophobicContact CD2-CE2 3.73Å; F41-Y50 AromaticContact CE2-CE2 3.99Å; F41-Y50 HydrophobicContact CE2-CE2 3.99Å; F41-Y50 VanDerWaalsContact CE2-OH 3.28Å; F41-Y50 WeakPolarHBondContact CE2-OH 3.2Å; F41-Y50 HydrophobicContact CG-CE2 4.11Å; F41-Y50 WeakPolarHBondContact CZ-OH 3.46Å; F46-Y50 AromaticContact CD2-CD2 3.95Å; F46-Y50 HydrophobicContact CD2-CD2 3.95Å; F46-Y50 PolarHBondContact O-N 3.13Å; Y50-S52 PolarHBondContact O-N 3.34Å
51I95Very high93.9Very high1 Ų168.2 Ų68.21%0.00533%0.325CS..  trans-9891.3175.5-55.9-54.8000108.9L28 F46 Y47 F56 L59 R60L28-I51 HydrophobicContact CD1-CD1 3.73Å; F46-I51 HydrophobicContact CD1-CG1 4.26Å; F46-I51 HydrophobicContact CE1-CD1 3.83Å; F46-I51 HydrophobicContact CE1-CG1 3.69Å; F46-I51 HydrophobicContact CE2-CD1 4.4Å; F46-I51 HydrophobicContact CZ-CD1 3.61Å; F46-I51 HydrophobicContact CZ-CG1 3.95Å; Y47-I51 HydrophobicContact CD1-CB 3.96Å; Y47-I51 HydrophobicContact CD1-CG1 3.63Å; Y47-I51 HydrophobicContact CD1-CG2 4.14Å; Y47-I51 HydrophobicContact CE1-CG1 4.1Å; Y47-I51 HydrophobicContact CG-CG1 4.46Å; I51-F56 HydrophobicContact CD1-CD2 4.36Å; I51-F56 HydrophobicContact CG2-CB 3.63Å; I51-F56 HydrophobicContact CG2-CD2 4.4Å; I51-F56 HydrophobicContact CG2-CG 4.25Å; I51-L59 HydrophobicContact CG2-CD2 4.29Å; I51-R60 HydrophobicContact CG2-CB 4.13Å
52S92.9Very high93.7Very high32 Ų3266 Ų6622%0.22432%0.316CS..  trans-69.5151.6178.377.30000111.3Y50 D54 E55 F56Y50-S52 PolarHBondContact O-N 3.34Å; S52-D54 PolarHBondContact O-N 2.93Å; S52-E55 VanDerWaalsContact OG-CB 3.25Å; S52-E55 WeakPolarHBondContact OG-CB 3.32Å; S52-E55 VanDerWaalsContact OG-CD 3.28Å; S52-E55 VanDerWaalsContact OG-CG 3.28Å; S52-E55 WeakPolarHBondContact OG-CG 3.27Å; S52-E55 PolarHBondContact OG-N 3.5Å; S52-E55 VanDerWaalsContact OG-N 3.11Å; S52-E55 PolarHBondContact OG-OE2 3.46Å; S52-F56 PolarHBondContact O-N 2.73Å; S52-F56 VanDerWaalsContact O-N 3.15Å
53N92.6Very high93.6Very high80 Ų8061.9 Ų61.943%0.42829%0.289SS..THydrogen-bonded Turntrans-73.3-23.3176.7-172.263.1000111.4P57N53-P57 VanDerWaalsContact O-CA 3.3Å; N53-P57 WeakPolarHBondContact O-CA 3.28Å; N53-P57 VanDerWaalsContact O-CB 3.22Å; N53-P57 WeakPolarHBondContact O-CB 3.25Å; N53-P57 VanDerWaalsContact O-CD 3.32Å; N53-P57 WeakPolarHBondContact O-CD 3.44Å
54D93Very high93.5Very high147 Ų14764.8 Ų64.879%0.78630%0.304SS*.THydrogen-bonded Turntrans-80.5-38.6-175.4-54.6-42000110.9S52S52-D54 PolarHBondContact O-N 2.93Å
55E91.9Very high93.4Very high107 Ų10765.7 Ų65.750%0.530%0.304SS..THydrogen-bonded Turntrans-86-39179-63161.1154.900112.2K24 S52 P57K24-E55 WeakPolarHBondContact CE-O 3.46Å; K24-E55 PolarHBondContact NZ-O 2.82Å; S52-E55 VanDerWaalsContact OG-CB 3.25Å; S52-E55 WeakPolarHBondContact OG-CB 3.32Å; S52-E55 VanDerWaalsContact OG-CD 3.28Å; S52-E55 VanDerWaalsContact OG-CG 3.28Å; S52-E55 WeakPolarHBondContact OG-CG 3.27Å; S52-E55 PolarHBondContact OG-N 3.5Å; S52-E55 VanDerWaalsContact OG-N 3.11Å; S52-E55 PolarHBondContact OG-OE2 3.46Å; E55-P57 WeakPolarHBondContact O-CD 3.45Å
56F93.9Very high93.3Very high5 Ų564.9 Ų64.92%0.02230%0.299CS..  trans-12751.8-171.1-63.5-78.5000113K24 Q27 L28 L34 I51 S52 V58 L59 R60K24-F56 HydrophobicContact CB-CD1 4.46Å; K24-F56 HydrophobicContact CD-CD1 4.16Å; Q27-F56 HydrophobicContact CB-CE1 4.41Å; Q27-F56 HydrophobicContact CG-CE1 4.22Å; Q27-F56 HydrophobicContact CG-CZ 4.37Å; L28-F56 HydrophobicContact CB-CE1 3.98Å; L28-F56 HydrophobicContact CB-CZ 4.47Å; L28-F56 HydrophobicContact CD1-CE1 4.36Å; L28-F56 HydrophobicContact CD1-CZ 4.25Å; L34-F56 HydrophobicContact CD1-CE2 3.98Å; L34-F56 HydrophobicContact CD1-CZ 4.03Å; I51-F56 HydrophobicContact CD1-CD2 4.36Å; I51-F56 HydrophobicContact CG2-CB 3.63Å; I51-F56 HydrophobicContact CG2-CD2 4.4Å; I51-F56 HydrophobicContact CG2-CG 4.25Å; S52-F56 PolarHBondContact O-N 2.73Å; S52-F56 VanDerWaalsContact O-N 3.15Å; F56-V58 PolarHBondContact O-N 2.88Å; F56-L59 HydrophobicContact CB-CB 4.19Å; F56-L59 HydrophobicContact CB-CD2 4.33Å; F56-L59 HydrophobicContact CD1-CD2 4.06Å; F56-L59 HydrophobicContact CG-CD2 4.37Å; F56-L59 PolarHBondContact O-N 2.81Å; F56-R60 WeakPolarHBondContact O-CB 3.24Å; F56-R60 PolarHBondContact O-N 3.09Å
57P92.8Very high92.9Very high41 Ų4166 Ų6627%0.26631%0.308SS..Hα-helixtrans-59.2-44.8-17319.9-31000113.5N53 E55 R61N53-P57 VanDerWaalsContact O-CA 3.3Å; N53-P57 WeakPolarHBondContact O-CA 3.28Å; N53-P57 VanDerWaalsContact O-CB 3.22Å; N53-P57 WeakPolarHBondContact O-CB 3.25Å; N53-P57 VanDerWaalsContact O-CD 3.32Å; N53-P57 WeakPolarHBondContact O-CD 3.44Å; E55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-R61 WeakPolarHBondContact O-CB 3.37Å; P57-R61 PolarHBondContact O-N 3.5Å
58V92.4Very high92.5Very high39 Ų3967.8 Ų67.824%0.23632%0.323CS..Hα-helixtrans-70.5-46.3-177.3-171.20000110.6L21 F56 R60 R61 H62L21-V58 HydrophobicContact CD2-CB 4.06Å; L21-V58 HydrophobicContact CD2-CG1 3.57Å; L21-V58 HydrophobicContact CG-CG1 3.97Å; F56-V58 PolarHBondContact O-N 2.88Å; V58-R60 PolarHBondContact O-N 2.91Å; V58-R61 PolarHBondContact O-N 2.94Å; V58-H62 WeakPolarHBondContact O-CB 3.38Å; V58-H62 PolarHBondContact O-N 3.21Å
59L93Very high92.1Very high0 Ų064 Ų640%031%0.311CS..Hα-helixtrans-62.7-41.6177176.666.9000111.6I5 L21 I25 L28 Y47 I51 F56 H62 A63I5-L59 HydrophobicContact CG2-CD1 4.28Å; L21-L59 HydrophobicContact CD2-CB 4.25Å; I25-L59 HydrophobicContact CD1-CD1 3.89Å; L28-L59 HydrophobicContact CD2-CD2 3.74Å; Y47-L59 HydrophobicContact CE1-CD1 4.44Å; Y47-L59 HydrophobicContact CE1-CG 4.25Å; I51-L59 HydrophobicContact CG2-CD2 4.29Å; F56-L59 HydrophobicContact CB-CB 4.19Å; F56-L59 HydrophobicContact CB-CD2 4.33Å; F56-L59 HydrophobicContact CD1-CD2 4.06Å; F56-L59 HydrophobicContact CG-CD2 4.37Å; F56-L59 PolarHBondContact O-N 2.81Å; L59-H62 WeakPolarHBondContact O-CB 3.44Å; L59-H62 PolarHBondContact O-N 3.42Å; L59-A63 WeakPolarHBondContact O-CB 3.42Å; L59-A63 PolarHBondContact O-N 2.73Å
60R93.2Very high91.3Very high84 Ų8462 Ų6232%0.31731%0.308SS..Hα-helixtrans-62.6-44.5176.4-172.9174.6178.3164.7-1.5111.4I51 F56 V58 H62 A63 L64I51-R60 HydrophobicContact CG2-CB 4.13Å; F56-R60 WeakPolarHBondContact O-CB 3.24Å; F56-R60 PolarHBondContact O-N 3.09Å; V58-R60 PolarHBondContact O-N 2.91Å; R60-H62 VanDerWaalsContact C-N 3.33Å; R60-H62 PolarHBondContact O-N 3.25Å; R60-A63 PolarHBondContact O-N 3.28Å; R60-L64 HydrophobicContact CG-CD1 4.38Å; R60-L64 WeakPolarHBondContact O-CG 3.08Å; R60-L64 PolarHBondContact O-N 2.92Å
61R92.9Very high90.5Very high160 Ų16067.8 Ų67.860%0.60433%0.329SS*.Hα-helixtrans-60.2-44.5174.9-172.5-176.3-60.2113.82.6111.4P57 V58 L64 K65P57-R61 WeakPolarHBondContact O-CB 3.37Å; P57-R61 PolarHBondContact O-N 3.5Å; V58-R61 PolarHBondContact O-N 2.94Å; R61-L64 PolarHBondContact O-N 3.3Å; R61-K65 PolarHBondContact O-N 3.38Å
62H92.1Very high89.8Confident21 Ų2171 Ų7110%0.09735%0.349CS..Hα-helixtrans-60.5-46176.1-179.3-80.6000111.6Q2 L21 V58 L59 R60 L64 K65 Y66Q2-H62 PolarHBondContact O-CE1 3.47Å; Q2-H62 PolarHBondContact O-NE2 3.48Å; L21-H62 HydrophobicContact CD1-CB 4.43Å; V58-H62 WeakPolarHBondContact O-CB 3.38Å; V58-H62 PolarHBondContact O-N 3.21Å; L59-H62 WeakPolarHBondContact O-CB 3.44Å; L59-H62 PolarHBondContact O-N 3.42Å; R60-H62 VanDerWaalsContact C-N 3.33Å; R60-H62 PolarHBondContact O-N 3.25Å; H62-L64 PolarHBondContact O-N 3.04Å; H62-K65 WeakPolarHBondContact O-CB 3.2Å; H62-K65 PolarHBondContact O-N 3.3Å; H62-Y66 AromaticContact CE1-CD2 3.41Å; H62-Y66 VanDerWaalsContact CE1-CD2 3.41Å; H62-Y66 WeakPolarHBondContact CE1-CD2 3.39Å; H62-Y66 AromaticContact CE1-CE2 3.4Å; H62-Y66 VanDerWaalsContact CE1-CE2 3.4Å; H62-Y66 WeakPolarHBondContact CE1-CE2 3.45Å; H62-Y66 AromaticContact ND1-CD2 3.84Å; H62-Y66 AromaticContact NE2-CD2 3.75Å; H62-Y66 AromaticContact NE2-CE2 3.27Å; H62-Y66 VanDerWaalsContact NE2-CE2 3.27Å; H62-Y66 WeakPolarHBondContact NE2-CE2 3.43Å; H62-Y66 WeakPolarHBondContact O-CD2 3.34Å; H62-Y66 PolarHBondContact O-N 2.82Å
63A92.9Very high89.2Confident4 Ų472.6 Ų72.63%0.03336%0.357CS..Hα-helixtrans-62.3-42.9177.400000112.5F6 Y47 L59 R60 K65 Y66 A67F6-A63 HydrophobicContact CD2-CB 3.8Å; F6-A63 HydrophobicContact CE2-CB 4.12Å; Y47-A63 HydrophobicContact CD1-CB 3.36Å; Y47-A63 HydrophobicContact CD2-CB 4.02Å; Y47-A63 HydrophobicContact CE1-CB 3.42Å; Y47-A63 VanDerWaalsContact CE1-CB 3.42Å; Y47-A63 HydrophobicContact CE2-CB 4.04Å; Y47-A63 HydrophobicContact CG-CB 3.69Å; L59-A63 WeakPolarHBondContact O-CB 3.42Å; L59-A63 PolarHBondContact O-N 2.73Å; R60-A63 PolarHBondContact O-N 3.28Å; A63-K65 VanDerWaalsContact C-N 3.32Å; A63-K65 PolarHBondContact O-N 3.47Å; A63-Y66 PolarHBondContact O-N 2.91Å; A63-A67 WeakPolarHBondContact O-CB 3.22Å; A63-A67 PolarHBondContact O-N 3.36Å
64L91.8Very high88.5Confident110 Ų11075.7 Ų75.758%0.57636%0.364SS*.Hα-helixtrans-61.2-40175.7-73.6171.5000112.3R60 R61 H62 Y66 S68R60-L64 HydrophobicContact CG-CD1 4.38Å; R60-L64 WeakPolarHBondContact O-CG 3.08Å; R60-L64 PolarHBondContact O-N 2.92Å; R61-L64 PolarHBondContact O-N 3.3Å; H62-L64 PolarHBondContact O-N 3.04Å; L64-Y66 PolarHBondContact O-N 3.3Å; L64-S68 VanDerWaalsContact O-CB 3.28Å; L64-S68 WeakPolarHBondContact O-CB 3.3Å; L64-S68 PolarHBondContact O-N 3.37Å; L64-S68 PolarHBondContact O-OG 3.45Å
65K91.5Very high87.7Confident121 Ų12172 Ų7253%0.52635%0.349SS..Hα-helixtrans-56.9-52.3175.6-179.5-174.1177.5-173.10110.3R61 H62 A63 S68 V69R61-K65 PolarHBondContact O-N 3.38Å; H62-K65 WeakPolarHBondContact O-CB 3.2Å; H62-K65 PolarHBondContact O-N 3.3Å; A63-K65 VanDerWaalsContact C-N 3.32Å; A63-K65 PolarHBondContact O-N 3.47Å; K65-S68 PolarHBondContact O-N 3.33Å; K65-S68 PolarHBondContact O-OG 3.14Å; K65-V69 PolarHBondContact O-N 3.24Å
66Y90.2Very high87.1Confident37 Ų3770 Ų7015%0.14535%0.346CS..Hα-helixtrans-73.3-39.6-177.9-78.3-76.4000113.6Q2 L3 F6 H62 A63 L64 S68 V69 F70Q2-Y66 HydrophobicContact CB-CE2 4.18Å; Q2-Y66 WeakPolarHBondContact CB-OH 3.38Å; Q2-Y66 PolarHBondContact OE1-OH 2.65Å; Q2-Y66 VanDerWaalsContact OE1-OH 3.09Å; L3-Y66 HydrophobicContact CB-CD1 4.44Å; L3-Y66 HydrophobicContact CB-CE1 4.2Å; L3-Y66 HydrophobicContact CD1-CD1 3.55Å; L3-Y66 HydrophobicContact CD1-CE1 4.15Å; L3-Y66 HydrophobicContact CD1-CG 4.12Å; F6-Y66 HydrophobicContact CB-CD2 4.3Å; F6-Y66 HydrophobicContact CB-CG 4.25Å; H62-Y66 AromaticContact CE1-CD2 3.41Å; H62-Y66 VanDerWaalsContact CE1-CD2 3.41Å; H62-Y66 WeakPolarHBondContact CE1-CD2 3.39Å; H62-Y66 AromaticContact CE1-CE2 3.4Å; H62-Y66 VanDerWaalsContact CE1-CE2 3.4Å; H62-Y66 WeakPolarHBondContact CE1-CE2 3.45Å; H62-Y66 AromaticContact ND1-CD2 3.84Å; H62-Y66 AromaticContact NE2-CD2 3.75Å; H62-Y66 AromaticContact NE2-CE2 3.27Å; H62-Y66 VanDerWaalsContact NE2-CE2 3.27Å; H62-Y66 WeakPolarHBondContact NE2-CE2 3.43Å; H62-Y66 WeakPolarHBondContact O-CD2 3.34Å; H62-Y66 PolarHBondContact O-N 2.82Å; A63-Y66 PolarHBondContact O-N 2.91Å; L64-Y66 PolarHBondContact O-N 3.3Å; Y66-S68 PolarHBondContact O-N 3.03Å; Y66-V69 PolarHBondContact O-N 3.06Å; Y66-V69 VanDerWaalsContact O-N 3.14Å; Y66-F70 WeakPolarHBondContact O-CD2 3.37Å
67A88.8Confident86.5Confident24 Ų2475.5 Ų75.520%0.19837%0.371CS..Hα-helixtrans-56.7-35.8172.400000112F6 L44 A63F6-A67 HydrophobicContact CE2-CB 4.27Å; F6-A67 HydrophobicContact CZ-CB 4.17Å; L44-A67 HydrophobicContact CD2-CB 3.52Å; A63-A67 WeakPolarHBondContact O-CB 3.22Å; A63-A67 PolarHBondContact O-N 3.36Å
68S87.4Confident85.9Confident52 Ų5277.2 Ų77.236%0.36438%0.376SS..Hα-helixtrans-68-38178.377.40000112.7L64 K65 Y66 F70 R71 T72L64-S68 VanDerWaalsContact O-CB 3.28Å; L64-S68 WeakPolarHBondContact O-CB 3.3Å; L64-S68 PolarHBondContact O-N 3.37Å; L64-S68 PolarHBondContact O-OG 3.45Å; K65-S68 PolarHBondContact O-N 3.33Å; K65-S68 PolarHBondContact O-OG 3.14Å; Y66-S68 PolarHBondContact O-N 3.03Å; S68-F70 PolarHBondContact O-N 3.13Å; S68-R71 PolarHBondContact O-N 3.16Å; S68-T72 WeakPolarHBondContact O-CG2 3.47Å; S68-T72 PolarHBondContact O-N 2.89Å; S68-T72 PolarHBondContact O-OG1 2.84Å; S68-T72 VanDerWaalsContact O-OG1 3.05Å
69V85.4Confident85.2Confident68 Ų6878.7 Ų78.741%0.41238%0.38SS..Hα-helixtrans-59.1-47.4-179.4174.30000110.9K65 Y66 R71 T72 T73K65-V69 PolarHBondContact O-N 3.24Å; Y66-V69 PolarHBondContact O-N 3.06Å; Y66-V69 VanDerWaalsContact O-N 3.14Å; V69-R71 PolarHBondContact O-N 3.41Å; V69-T72 WeakPolarHBondContact CA-OG1 3.35Å; V69-T72 PolarHBondContact O-N 3.21Å; V69-T72 PolarHBondContact O-OG1 3.05Å; V69-T73 PolarHBondContact O-N 3.24Å; V69-T73 PolarHBondContact O-OG1 3.43Å; V69-T73 VanDerWaalsContact O-OG1 3.06Å
70F78.1Confident84.6Confident111 Ų11184.6 Ų84.649%0.48741%0.405SS..Hα-helixtrans-61.1-44.4-179.1-66.9-73000112.6L3 F6 Y66 S68 Y74L3-F70 HydrophobicContact CD1-CE2 3.96Å; L3-F70 HydrophobicContact CD1-CZ 3.8Å; L3-F70 HydrophobicContact CD2-CZ 4.48Å; F6-F70 HydrophobicContact CD1-CE2 4.22Å; F6-F70 HydrophobicContact CE1-CD2 4.29Å; F6-F70 AromaticContact CE1-CE2 3.79Å; F6-F70 HydrophobicContact CE1-CE2 3.79Å; Y66-F70 WeakPolarHBondContact O-CD2 3.37Å; S68-F70 PolarHBondContact O-N 3.13Å; F70-Y74 PolarHBondContact O-N 3.42Å; F70-Y74 VanDerWaalsContact O-N 3.13Å
71R78.8Confident84.1Confident179 Ų17983.4 Ų83.468%0.67541%0.41SS*.Hα-helixtrans-66-42.9177.5-170-179.969.1-172.91.1111.1S68 V69 Y74 C75S68-R71 PolarHBondContact O-N 3.16Å; V69-R71 PolarHBondContact O-N 3.41Å; R71-Y74 PolarHBondContact O-N 2.94Å; R71-C75 WeakPolarHBondContact O-CB 3.5Å; R71-C75 PolarHBondContact O-N 2.82Å; R71-C75 PolarHBondContact O-SG 2.87Å
72T79.5Confident83.3Confident70 Ų7079.8 Ų79.843%0.42940%0.398SS..Hα-helixtrans-65.3-40.1179.450.90000112S68 V69 C75 C76S68-T72 WeakPolarHBondContact O-CG2 3.47Å; S68-T72 PolarHBondContact O-N 2.89Å; S68-T72 PolarHBondContact O-OG1 2.84Å; S68-T72 VanDerWaalsContact O-OG1 3.05Å; V69-T72 WeakPolarHBondContact CA-OG1 3.35Å; V69-T72 PolarHBondContact O-N 3.21Å; V69-T72 PolarHBondContact O-OG1 3.05Å; T72-C75 PolarHBondContact O-N 3.49Å; T72-C76 VanDerWaalsContact O-CB 3.31Å; T72-C76 WeakPolarHBondContact O-CB 3.28Å; T72-C76 PolarHBondContact O-N 3.38Å; T72-C76 PolarHBondContact O-SG 3.28Å
73T81.4Confident82.5Confident64 Ų6480.7 Ų80.739%0.39340%0.404SS..Hα-helixtrans-60.7-50.6176-60.70000110.7V69 C75 C76 E77V69-T73 PolarHBondContact O-N 3.24Å; V69-T73 PolarHBondContact O-OG1 3.43Å; V69-T73 VanDerWaalsContact O-OG1 3.06Å; T73-C75 PolarHBondContact O-N 2.93Å; T73-C76 PolarHBondContact O-N 3.41Å; T73-C76 VanDerWaalsContact O-N 3.16Å; T73-E77 HydrophobicContact CG2-CG 4.38Å; T73-E77 WeakPolarHBondContact CG2-OE1 3.35Å; T73-E77 WeakPolarHBondContact O-CB 3.5Å; T73-E77 WeakPolarHBondContact O-CG 3.44Å; T73-E77 PolarHBondContact O-N 3.32Å
74Y78.2Confident81.6Confident145 Ų14585 Ų8557%0.56943%0.43SS*.Hα-helixtrans-60.1-43.8176.7177.6-100.4000112.3F70 R71 C76 E77 Q78F70-Y74 PolarHBondContact O-N 3.42Å; F70-Y74 VanDerWaalsContact O-N 3.13Å; R71-Y74 PolarHBondContact O-N 2.94Å; Y74-C76 VanDerWaalsContact C-N 3.33Å; Y74-C76 PolarHBondContact O-N 2.84Å; Y74-E77 PolarHBondContact O-N 2.89Å; Y74-Q78 VanDerWaalsContact O-CB 3.26Å; Y74-Q78 WeakPolarHBondContact O-CB 3.31Å; Y74-Q78 PolarHBondContact O-N 3.31Å
75C76.2Confident80.4Confident70 Ų7084.4 Ų84.447%0.47343%0.426SS..Hα-helixtrans-60.9-41.3175.7-72.40000111.9R71 T72 T73 F79R71-C75 WeakPolarHBondContact O-CB 3.5Å; R71-C75 PolarHBondContact O-N 2.82Å; R71-C75 PolarHBondContact O-SG 2.87Å; T72-C75 PolarHBondContact O-N 3.49Å; T73-C75 PolarHBondContact O-N 2.93Å; C75-F79 WeakPolarHBondContact O-CB 3.4Å; C75-F79 PolarHBondContact O-N 2.83Å
76C79Confident79.1Confident65 Ų6579.7 Ų79.744%0.43941%0.41SS..Hα-helixtrans-67-44.4176.6-71.80000111.8T72 T73 Y74 F79 F80T72-C76 VanDerWaalsContact O-CB 3.31Å; T72-C76 WeakPolarHBondContact O-CB 3.28Å; T72-C76 PolarHBondContact O-N 3.38Å; T72-C76 PolarHBondContact O-SG 3.28Å; T73-C76 PolarHBondContact O-N 3.41Å; T73-C76 VanDerWaalsContact O-N 3.16Å; Y74-C76 VanDerWaalsContact C-N 3.33Å; Y74-C76 PolarHBondContact O-N 2.84Å; C76-F79 WeakPolarHBondContact O-CB 3.04Å; C76-F79 PolarHBondContact O-N 3.17Å; C76-F80 HydrophobicContact CB-CD2 4.48Å; C76-F80 HydrophobicContact CB-CE2 4.24Å; C76-F80 WeakPolarHBondContact O-CB 3.32Å; C76-F80 WeakPolarHBondContact O-CD2 3.38Å; C76-F80 WeakPolarHBondContact O-CG 3.26Å; C76-F80 PolarHBondContact O-N 3.44Å
77E81.9Confident77.9Confident120 Ų12086 Ų8656%0.56144%0.438SS*.Hα-helixtrans-61.3-47.1175.9-74.3175.6-178.600111.5T73 Y74 F79 F80 S81T73-E77 HydrophobicContact CG2-CG 4.38Å; T73-E77 WeakPolarHBondContact CG2-OE1 3.35Å; T73-E77 WeakPolarHBondContact O-CB 3.5Å; T73-E77 WeakPolarHBondContact O-CG 3.44Å; T73-E77 PolarHBondContact O-N 3.32Å; Y74-E77 PolarHBondContact O-N 2.89Å; E77-F79 VanDerWaalsContact C-N 3.31Å; E77-F79 PolarHBondContact O-N 2.8Å; E77-F80 PolarHBondContact O-N 2.87Å; E77-S81 VanDerWaalsContact O-CB 3.32Å; E77-S81 WeakPolarHBondContact O-CB 3.32Å; E77-S81 PolarHBondContact O-N 3.32Å
78Q79.7Confident76.6Confident78 Ų7889.2 Ų89.236%0.36446%0.459SS..Hα-helixtrans-60.5-43.8175.5-175.265.36.100110.8Y74 S81 K82Y74-Q78 VanDerWaalsContact O-CB 3.26Å; Y74-Q78 WeakPolarHBondContact O-CB 3.31Å; Y74-Q78 PolarHBondContact O-N 3.31Å; Q78-S81 PolarHBondContact O-N 3.03Å; Q78-K82 VanDerWaalsContact NE2-CE 3.31Å; Q78-K82 WeakPolarHBondContact O-CG 3.14Å; Q78-K82 PolarHBondContact O-N 3.38Å
79F78.3Confident75.2Confident70 Ų7097.1 Ų97.131%0.30748%0.481SS..Hα-helixtrans-60.1-47.8176179-97.4000112C75 C76 E77 S81 K82 L83 L103 T107C75-F79 WeakPolarHBondContact O-CB 3.4Å; C75-F79 PolarHBondContact O-N 2.83Å; C76-F79 WeakPolarHBondContact O-CB 3.04Å; C76-F79 PolarHBondContact O-N 3.17Å; E77-F79 VanDerWaalsContact C-N 3.31Å; E77-F79 PolarHBondContact O-N 2.8Å; F79-S81 PolarHBondContact O-N 2.8Å; F79-K82 PolarHBondContact O-N 3.44Å; F79-L83 HydrophobicContact CD1-CD1 3.76Å; F79-L83 HydrophobicContact CD1-CG 4.42Å; F79-L83 HydrophobicContact CE1-CD1 3.32Å; F79-L83 HydrophobicContact CE1-CG 4.14Å; F79-L83 HydrophobicContact CZ-CD1 3.93Å; F79-L83 HydrophobicContact CZ-CG 4.42Å; F79-L83 PolarHBondContact O-N 3.4Å; F79-L103 HydrophobicContact CD2-CD2 3.99Å; F79-L103 HydrophobicContact CE2-CB 4.36Å; F79-L103 HydrophobicContact CE2-CD1 3.92Å; F79-L103 HydrophobicContact CE2-CD2 3.34Å; F79-L103 HydrophobicContact CE2-CG 4.06Å; F79-L103 HydrophobicContact CZ-CD1 3.72Å; F79-L103 HydrophobicContact CZ-CD2 3.7Å; F79-L103 HydrophobicContact CZ-CG 4.29Å; F79-T107 HydrophobicContact CD2-CG2 4.04Å
80F80Confident74Confident123 Ų12397.6 Ų97.654%0.53948%0.48SS..Hα-helixtrans-67.1-34.9177.4-69.6-49.9000113.3C76 E77 L83 T84C76-F80 HydrophobicContact CB-CD2 4.48Å; C76-F80 HydrophobicContact CB-CE2 4.24Å; C76-F80 WeakPolarHBondContact O-CB 3.32Å; C76-F80 WeakPolarHBondContact O-CD2 3.38Å; C76-F80 WeakPolarHBondContact O-CG 3.26Å; C76-F80 PolarHBondContact O-N 3.44Å; E77-F80 PolarHBondContact O-N 2.87Å; F80-L83 HydrophobicContact CD1-CD1 3.98Å; F80-L83 HydrophobicContact CE1-CD1 4.43Å; F80-L83 PolarHBondContact O-N 2.86Å; F80-T84 WeakPolarHBondContact O-CB 3.45Å; F80-T84 PolarHBondContact O-N 3.35Å; F80-T84 PolarHBondContact O-OG1 3.01Å
81S83.1Confident73.1Confident59 Ų59103.4 Ų103.441%0.41350%0.499SS..Hα-helixtrans-61-45.8173.1178.60000111.1E77 Q78 F79 T84 I85E77-S81 VanDerWaalsContact O-CB 3.32Å; E77-S81 WeakPolarHBondContact O-CB 3.32Å; E77-S81 PolarHBondContact O-N 3.32Å; Q78-S81 PolarHBondContact O-N 3.03Å; F79-S81 PolarHBondContact O-N 2.8Å; S81-T84 WeakPolarHBondContact O-CB 3.44Å; S81-T84 PolarHBondContact O-N 2.93Å; S81-I85 WeakPolarHBondContact O-CG1 3.48Å; S81-I85 PolarHBondContact O-N 3.45Å; S81-I85 VanDerWaalsContact O-N 3.13Å
82K74.6Confident72.2Confident84 Ų84101.2 Ų101.237%0.36551%0.506SS..Hα-helixtrans-65.1-40.8174.9-63.4-59.6-178.1-175.90112.6Q78 F79 T84 I85 A86 A106Q78-K82 VanDerWaalsContact NE2-CE 3.31Å; Q78-K82 WeakPolarHBondContact O-CG 3.14Å; Q78-K82 PolarHBondContact O-N 3.38Å; F79-K82 PolarHBondContact O-N 3.44Å; K82-T84 VanDerWaalsContact C-N 3.3Å; K82-T84 PolarHBondContact O-N 3.31Å; K82-I85 HydrophobicContact CD-CD1 4.38Å; K82-I85 PolarHBondContact O-N 3.45Å; K82-A86 PolarHBondContact O-N 3.25Å; K82-A106 HydrophobicContact CB-CB 4.43Å; K82-A106 HydrophobicContact CG-CB 4.45Å
83L76.3Confident71.6Confident40 Ų40107.8 Ų107.821%0.20952%0.523CS..Hα-helixtrans-59.7-40.5173.1-81.5178.1000112.4F79 F80 I85 A86 K87 L99 L103F79-L83 HydrophobicContact CD1-CD1 3.76Å; F79-L83 HydrophobicContact CD1-CG 4.42Å; F79-L83 HydrophobicContact CE1-CD1 3.32Å; F79-L83 HydrophobicContact CE1-CG 4.14Å; F79-L83 HydrophobicContact CZ-CD1 3.93Å; F79-L83 HydrophobicContact CZ-CG 4.42Å; F79-L83 PolarHBondContact O-N 3.4Å; F80-L83 HydrophobicContact CD1-CD1 3.98Å; F80-L83 HydrophobicContact CE1-CD1 4.43Å; F80-L83 PolarHBondContact O-N 2.86Å; L83-I85 VanDerWaalsContact C-N 3.33Å; L83-I85 PolarHBondContact O-N 3.43Å; L83-A86 PolarHBondContact O-N 3.25Å; L83-K87 VanDerWaalsContact O-CB 3.24Å; L83-K87 WeakPolarHBondContact O-CB 3.47Å; L83-K87 PolarHBondContact O-N 3.39Å; L83-L99 HydrophobicContact CD2-CD1 3.66Å; L83-L103 HydrophobicContact CD2-CD1 4.1Å; L83-L103 HydrophobicContact CD2-CD2 3.42Å; L83-L103 VanDerWaalsContact CD2-CD2 3.42Å; L83-L103 HydrophobicContact CD2-CG 4.03Å; L83-L103 HydrophobicContact CG-CD2 3.77Å
84T72.7Confident70.9Confident96 Ų96107.3 Ų107.359%0.58952%0.518SS*.Hα-helixtrans-62-42.6177.7-590000111F80 S81 K82 K87 S88F80-T84 WeakPolarHBondContact O-CB 3.45Å; F80-T84 PolarHBondContact O-N 3.35Å; F80-T84 PolarHBondContact O-OG1 3.01Å; S81-T84 WeakPolarHBondContact O-CB 3.44Å; S81-T84 PolarHBondContact O-N 2.93Å; K82-T84 VanDerWaalsContact C-N 3.3Å; K82-T84 PolarHBondContact O-N 3.31Å; T84-K87 PolarHBondContact O-N 3.26Å; T84-S88 PolarHBondContact O-N 3.13Å
85I68.2Low70.8Confident97 Ų97103.9 Ų103.950%0.49751%0.512SS..Hα-helixtrans-60.8-47.8174.4-66.4161000110.7S81 K82 L83 K87 S88S81-I85 WeakPolarHBondContact O-CG1 3.48Å; S81-I85 PolarHBondContact O-N 3.45Å; S81-I85 VanDerWaalsContact O-N 3.13Å; K82-I85 HydrophobicContact CD-CD1 4.38Å; K82-I85 PolarHBondContact O-N 3.45Å; L83-I85 VanDerWaalsContact C-N 3.33Å; L83-I85 PolarHBondContact O-N 3.43Å; I85-K87 PolarHBondContact O-N 3.4Å; I85-S88 PolarHBondContact O-N 3.4Å; I85-S88 PolarHBondContact O-OG 2.84Å
86A64.3Low71Confident21 Ų21107 Ų10717%0.17452%0.524CS..Hα-helixtrans-62.8-40179.300000112.6K82 L83 S88K82-A86 PolarHBondContact O-N 3.25Å; L83-A86 PolarHBondContact O-N 3.25Å; A86-S88 VanDerWaalsContact C-N 3.32Å; A86-S88 PolarHBondContact O-N 3.46Å
87K63Low71.1Confident170 Ų170108.4 Ų108.474%0.73953%0.53SS*.Hα-helixtrans-66-29.8-179-168.2174.1-178.4177.10113.1L83 T84 I85L83-K87 VanDerWaalsContact O-CB 3.24Å; L83-K87 WeakPolarHBondContact O-CB 3.47Å; L83-K87 PolarHBondContact O-N 3.39Å; T84-K87 PolarHBondContact O-N 3.26Å; I85-K87 PolarHBondContact O-N 3.4Å
88S63.5Low70.9Confident91 Ų91106.4 Ų106.464%0.63652%0.524SS*.Hα-helixtrans-75.3-31.1-177.674.90000114.6T84 I85 A86T84-S88 PolarHBondContact O-N 3.13Å; I85-S88 PolarHBondContact O-N 3.4Å; I85-S88 PolarHBondContact O-OG 2.84Å; A86-S88 VanDerWaalsContact C-N 3.32Å; A86-S88 PolarHBondContact O-N 3.46Å
89R57.6Low70.9Confident219 Ų219105.4 Ų105.483%0.82652%0.521SS*.Hα-helixtrans-93.7-18.5-173-85.3-179.772.4171.51.8115.6
90L59.1Low71.1Confident77 Ų77106.4 Ų106.440%0.40353%0.532SS..  trans-133.528.7-165.7-70172.8000114.2T92 R93 L94L90-T92 PolarHBondContact O-N 3.47Å; L90-R93 PolarHBondContact O-N 3.25Å; L90-R93 VanDerWaalsContact O-N 3.08Å; L90-L94 HydrophobicContact CB-CD1 3.56Å; L90-L94 HydrophobicContact CB-CG 4.28Å; L90-L94 HydrophobicContact CD1-CD1 4.19Å
91R58.9Low71.2Confident233 Ų233104.4 Ų104.488%0.87953%0.527SS*.THydrogen-bonded Turntrans-42.8-20.7-169.9-174.3178.1152.9-167.3-7.2117.2
92T61.7Low70.9Confident133 Ų133105.5 Ų105.582%0.81653%0.526SS*.THydrogen-bonded Turntrans-120.3-2.3-176.647.20000116.4L90L90-T92 PolarHBondContact O-N 3.47Å
93R65.3Low71Confident208 Ų208103 Ų10379%0.78552%0.516SS*.THydrogen-bonded Turntrans-132.86.6-169.9-66.9-176.564.2-160.4-0.8116.2L90 T95L90-R93 PolarHBondContact O-N 3.25Å; L90-R93 VanDerWaalsContact O-N 3.08Å; R93-T95 PolarHBondContact O-N 2.99Å; R93-T95 VanDerWaalsContact O-N 3.14Å
94L67.3Low71.4Confident54 Ų54109.9 Ų109.928%0.28354%0.539SS..  trans-76.8100177.4-107.6142.6000109.7L90 N98 L99L90-L94 HydrophobicContact CB-CD1 3.56Å; L90-L94 HydrophobicContact CB-CG 4.28Å; L90-L94 HydrophobicContact CD1-CD1 4.19Å; L94-N98 HydrophobicContact CD2-CB 4.39Å; L94-L99 VanDerWaalsContact CD2-CA 3.48Å; L94-L99 HydrophobicContact CD2-CB 3.59Å; L94-L99 HydrophobicContact CD2-CD1 3.95Å; L94-L99 HydrophobicContact CD2-CG 4.35Å
95T77.1Confident71.7Confident73 Ų73110.5 Ų110.545%0.44854%0.543SS..  trans-69.7152.7163.560.10000109.4R93 T97 N98 L99R93-T95 PolarHBondContact O-N 2.99Å; R93-T95 VanDerWaalsContact O-N 3.14Å; T95-T97 PolarHBondContact O-N 3.3Å; T95-N98 WeakPolarHBondContact O-CB 3.24Å; T95-N98 PolarHBondContact O-N 2.87Å; T95-N98 WeakPolarHBondContact OG1-CB 3.25Å; T95-N98 PolarHBondContact OG1-N 3.11Å; T95-N98 PolarHBondContact OG1-ND2 3.37Å; T95-N98 VanDerWaalsContact OG1-ND2 3.16Å; T95-L99 PolarHBondContact O-N 3.4Å
96D78.6Confident72Confident135 Ų135108.2 Ų108.272%0.72254%0.538SS*.Hα-helixtrans-53.3-40.1178.1-68-22.8000111.9N98 L99 V100D96-N98 PolarHBondContact O-N 2.88Å; D96-L99 WeakPolarHBondContact O-CB 3.36Å; D96-L99 PolarHBondContact O-N 2.88Å; D96-V100 WeakPolarHBondContact O-CG2 3.39Å; D96-V100 PolarHBondContact O-N 2.89Å
97T81.1Confident72.6Confident95 Ų95111.8 Ų111.858%0.58356%0.558SS**Hα-helixtrans-60-43.5175.1-49.10000112.4T95 L99 V100 N101T95-T97 PolarHBondContact O-N 3.3Å; T97-L99 VanDerWaalsContact C-N 3.34Å; T97-V100 PolarHBondContact O-N 3.46Å; T97-N101 WeakPolarHBondContact O-CB 3.46Å; T97-N101 VanDerWaalsContact O-CG 3.29Å; T97-N101 PolarHBondContact O-N 3.2Å; T97-N101 PolarHBondContact O-ND2 2.98Å
98N79.6Confident73.6Confident79 Ų79106.3 Ų106.342%0.42254%0.541SS..Hα-helixtrans-67.1-38.5178.4-73.8-16.4000111.1L94 T95 D96 N101 Q102L94-N98 HydrophobicContact CD2-CB 4.39Å; T95-N98 WeakPolarHBondContact O-CB 3.24Å; T95-N98 PolarHBondContact O-N 2.87Å; T95-N98 WeakPolarHBondContact OG1-CB 3.25Å; T95-N98 PolarHBondContact OG1-N 3.11Å; T95-N98 PolarHBondContact OG1-ND2 3.37Å; T95-N98 VanDerWaalsContact OG1-ND2 3.16Å; D96-N98 PolarHBondContact O-N 2.88Å; N98-N101 PolarHBondContact O-N 2.91Å; N98-Q102 WeakPolarHBondContact O-CB 3.34Å; N98-Q102 WeakPolarHBondContact O-CG 3.4Å; N98-Q102 PolarHBondContact O-N 3.49Å
99L79.5Confident74.4Confident57 Ų57107.6 Ų107.630%0.29855%0.55SS.*Hα-helixtrans-61-50.4175.7-178.859.1000110.8L83 L94 T95 D96 T97 N101 Q102 L103L83-L99 HydrophobicContact CD2-CD1 3.66Å; L94-L99 VanDerWaalsContact CD2-CA 3.48Å; L94-L99 HydrophobicContact CD2-CB 3.59Å; L94-L99 HydrophobicContact CD2-CD1 3.95Å; L94-L99 HydrophobicContact CD2-CG 4.35Å; T95-L99 PolarHBondContact O-N 3.4Å; D96-L99 WeakPolarHBondContact O-CB 3.36Å; D96-L99 PolarHBondContact O-N 2.88Å; T97-L99 VanDerWaalsContact C-N 3.34Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 3.01Å; L99-Q102 PolarHBondContact O-N 2.85Å; L99-L103 HydrophobicContact CD1-CD1 4.24Å; L99-L103 HydrophobicContact CD1-CG 4.26Å; L99-L103 HydrophobicContact CG-CD1 4.03Å; L99-L103 HydrophobicContact CG-CG 4.48Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 VanDerWaalsContact O-CG 3.25Å; L99-L103 WeakPolarHBondContact O-CG 3.36Å; L99-L103 PolarHBondContact O-N 3.08Å
100V81.7Confident75.4Confident90 Ų90104.5 Ų104.555%0.54555%0.545SS..Hα-helixtrans-59-43.6178.1171.30000111.4D96 T97 L103 R104D96-V100 WeakPolarHBondContact O-CG2 3.39Å; D96-V100 PolarHBondContact O-N 2.89Å; T97-V100 PolarHBondContact O-N 3.46Å; V100-L103 PolarHBondContact O-N 2.99Å; V100-R104 WeakPolarHBondContact O-CB 3.27Å; V100-R104 PolarHBondContact O-N 3.29Å
101N82.4Confident76.4Confident81 Ų81104.1 Ų104.143%0.43356%0.56SS.*Hα-helixtrans-64.3-44.8178-74-27.2000112.3T97 N98 L99 L103 R104 V105T97-N101 WeakPolarHBondContact O-CB 3.46Å; T97-N101 VanDerWaalsContact O-CG 3.29Å; T97-N101 PolarHBondContact O-N 3.2Å; T97-N101 PolarHBondContact O-ND2 2.98Å; N98-N101 PolarHBondContact O-N 2.91Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 3.01Å; N101-L103 VanDerWaalsContact C-N 3.34Å; N101-L103 PolarHBondContact O-N 3.25Å; N101-R104 PolarHBondContact O-N 3.05Å; N101-V105 WeakPolarHBondContact O-CG2 3.37Å; N101-V105 PolarHBondContact O-N 3.39Å
102Q76Confident77.4Confident82 Ų8296.8 Ų96.838%0.38355%0.549SS..Hα-helixtrans-63-41.8176.7-74.7-170.8-61.200111.8N98 L99 V105 A106N98-Q102 WeakPolarHBondContact O-CB 3.34Å; N98-Q102 WeakPolarHBondContact O-CG 3.4Å; N98-Q102 PolarHBondContact O-N 3.49Å; L99-Q102 PolarHBondContact O-N 2.85Å; Q102-V105 PolarHBondContact O-N 3.41Å; Q102-A106 VanDerWaalsContact O-CB 3.27Å; Q102-A106 WeakPolarHBondContact O-CB 3.47Å; Q102-A106 PolarHBondContact O-N 2.75Å
103L78.3Confident78.4Confident31 Ų3194 Ų9416%0.16253%0.529CS..Hα-helixtrans-60.2-48.4174.6-76.4175000111F79 L83 L99 V100 N101 V105 A106 T107F79-L103 HydrophobicContact CD2-CD2 3.99Å; F79-L103 HydrophobicContact CE2-CB 4.36Å; F79-L103 HydrophobicContact CE2-CD1 3.92Å; F79-L103 HydrophobicContact CE2-CD2 3.34Å; F79-L103 HydrophobicContact CE2-CG 4.06Å; F79-L103 HydrophobicContact CZ-CD1 3.72Å; F79-L103 HydrophobicContact CZ-CD2 3.7Å; F79-L103 HydrophobicContact CZ-CG 4.29Å; L83-L103 HydrophobicContact CD2-CD1 4.1Å; L83-L103 HydrophobicContact CD2-CD2 3.42Å; L83-L103 VanDerWaalsContact CD2-CD2 3.42Å; L83-L103 HydrophobicContact CD2-CG 4.03Å; L83-L103 HydrophobicContact CG-CD2 3.77Å; L99-L103 HydrophobicContact CD1-CD1 4.24Å; L99-L103 HydrophobicContact CD1-CG 4.26Å; L99-L103 HydrophobicContact CG-CD1 4.03Å; L99-L103 HydrophobicContact CG-CG 4.48Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 VanDerWaalsContact O-CG 3.25Å; L99-L103 WeakPolarHBondContact O-CG 3.36Å; L99-L103 PolarHBondContact O-N 3.08Å; V100-L103 PolarHBondContact O-N 2.99Å; N101-L103 VanDerWaalsContact C-N 3.34Å; N101-L103 PolarHBondContact O-N 3.25Å; L103-V105 VanDerWaalsContact C-N 3.33Å; L103-V105 PolarHBondContact O-N 2.95Å; L103-A106 PolarHBondContact O-N 3.46Å; L103-A106 VanDerWaalsContact O-N 3.11Å; L103-T107 WeakPolarHBondContact O-CG2 3.26Å; L103-T107 PolarHBondContact O-N 2.94Å; L103-T107 PolarHBondContact O-OG1 3.41Å
104R82.9Confident79.2Confident185 Ų18589.3 Ų89.370%0.69852%0.518SS*.Hα-helixtrans-55.8-47.8179.2-168.9177.3-173.9-153.20.4111.6V100 N101 T107 S108V100-R104 WeakPolarHBondContact O-CB 3.27Å; V100-R104 PolarHBondContact O-N 3.29Å; N101-R104 PolarHBondContact O-N 3.05Å; R104-T107 PolarHBondContact O-N 3Å; R104-T107 PolarHBondContact O-OG1 3.42Å; R104-S108 WeakPolarHBondContact O-CB 3.39Å; R104-S108 PolarHBondContact O-N 2.84Å; R104-S108 PolarHBondContact O-OG 3.01Å
105V80Confident80Confident109 Ų10991.1 Ų91.166%0.66153%0.534SS*.Hα-helixtrans-64.7-41.3176.2174.30000111.8N101 Q102 L103 T107 S108N101-V105 WeakPolarHBondContact O-CG2 3.37Å; N101-V105 PolarHBondContact O-N 3.39Å; Q102-V105 PolarHBondContact O-N 3.41Å; L103-V105 VanDerWaalsContact C-N 3.33Å; L103-V105 PolarHBondContact O-N 2.95Å; V105-T107 VanDerWaalsContact C-N 3.32Å; V105-T107 PolarHBondContact O-N 3.07Å; V105-S108 PolarHBondContact O-OG 3.41Å
106A75.1Confident80.4Confident49 Ų4994.5 Ų94.541%0.40554%0.538SS..Hα-helixtrans-70.2-27.6-179.300000113.4K82 Q102 L103K82-A106 HydrophobicContact CB-CB 4.43Å; K82-A106 HydrophobicContact CG-CB 4.45Å; Q102-A106 VanDerWaalsContact O-CB 3.27Å; Q102-A106 WeakPolarHBondContact O-CB 3.47Å; Q102-A106 PolarHBondContact O-N 2.75Å; L103-A106 PolarHBondContact O-N 3.46Å; L103-A106 VanDerWaalsContact O-N 3.11Å
107T76.8Confident80.5Confident96 Ų9692.3 Ų92.359%0.58953%0.526SS*.Hα-helixtrans-93.9-16.9178.455.60000114.1F79 L103 R104 V105F79-T107 HydrophobicContact CD2-CG2 4.04Å; L103-T107 WeakPolarHBondContact O-CG2 3.26Å; L103-T107 PolarHBondContact O-N 2.94Å; L103-T107 PolarHBondContact O-OG1 3.41Å; R104-T107 PolarHBondContact O-N 3Å; R104-T107 PolarHBondContact O-OG1 3.42Å; V105-T107 VanDerWaalsContact C-N 3.32Å; V105-T107 PolarHBondContact O-N 3.07Å
108S82.6Confident80.6Confident55 Ų5591.4 Ų91.439%0.38552%0.52SS..  trans-73.5136.9177.460.80000110.9R104 V105 E110R104-S108 WeakPolarHBondContact O-CB 3.39Å; R104-S108 PolarHBondContact O-N 2.84Å; R104-S108 PolarHBondContact O-OG 3.01Å; V105-S108 PolarHBondContact O-OG 3.41Å; S108-E110 VanDerWaalsContact C-N 3.25Å
109S80.4Confident80.6Confident118 Ų11890.8 Ų90.883%0.82553%0.533SS*.  trans-79-10.8166.549.40000113.1G111S109-G111 PolarHBondContact O-N 3.41Å
110E79.7Confident80.5Confident154 Ų15494.2 Ų94.272%0.7255%0.548SS*.PPolyproline II helixtrans-65.6125.1-179.8-59.1-57.3149.900110.4S108S108-E110 VanDerWaalsContact C-N 3.25Å
111G79Confident79.8Confident69 Ų6997.3 Ų97.371%0.71155%0.554SS**PPolyproline II helixtrans-66.1147.6174.300000111.2S109 D113S109-G111 PolarHBondContact O-N 3.41Å; G111-D113 PolarHBondContact O-N 3.05Å
112A79.8Confident79.1Confident79 Ų79102.2 Ų102.265%0.65357%0.574SS**PPolyproline II helixtrans-66.9129.5169.100000109.3I114A112-I114 HydrophobicContact CB-CG1 4.24Å; A112-I114 PolarHBondContact O-N 3.2Å
113D83.7Confident78.7Confident75 Ų75107.1 Ų107.140%0.40159%0.594SS.*  trans-75.373.1172.5-171.2-8.4000109.9G111 P115 R116 L117G111-D113 PolarHBondContact O-N 3.05Å; D113-P115 WeakPolarHBondContact OD1-CD 3.3Å; D113-R116 HydrophobicContact CB-CB 4.2Å; D113-R116 PolarHBondContact O-N 2.82Å; D113-R116 VanDerWaalsContact OD1-CB 3.3Å; D113-R116 WeakPolarHBondContact OD1-CB 3.48Å; D113-R116 PolarHBondContact OD1-N 2.94Å; D113-R116 WeakPolarHBondContact OD2-CB 3.18Å; D113-R116 IonicContact OD2-NH1 3.17Å; D113-L117 VanDerWaalsContact O-CG 3.26Å; D113-L117 WeakPolarHBondContact O-CG 3.4Å; D113-L117 PolarHBondContact O-N 3.14Å; D113-L117 VanDerWaalsContact O-N 3.07Å
114I81.9Confident77.8Confident109 Ų109114.9 Ų114.956%0.55963%0.63SS**Hα-helixtrans-57.7-45179.4-57-178.2000111A112 R116 L117 T118A112-I114 HydrophobicContact CB-CG1 4.24Å; A112-I114 PolarHBondContact O-N 3.2Å; I114-R116 PolarHBondContact O-N 3.19Å; I114-L117 PolarHBondContact O-N 3.16Å; I114-T118 HydrophobicContact CG2-CG2 3.98Å; I114-T118 WeakPolarHBondContact O-CG2 3.46Å; I114-T118 PolarHBondContact O-N 3.34Å; I114-T118 PolarHBondContact O-OG1 3.17Å
115P84.6Confident76.8Confident93 Ų93110.5 Ų110.560%0.60463%0.633SS**Hα-helixtrans-55.6-48.1178.1-2736.5000113.1D113 L117 T118 G119D113-P115 WeakPolarHBondContact OD1-CD 3.3Å; P115-L117 PolarHBondContact O-N 3.26Å; P115-T118 WeakPolarHBondContact CA-OG1 3.48Å; P115-T118 PolarHBondContact O-N 3.29Å; P115-T118 PolarHBondContact O-OG1 2.92Å; P115-G119 PolarHBondContact O-N 3.5Å
116R85Confident75.6Confident144 Ų144115.6 Ų115.654%0.54364%0.642SS.*Hα-helixtrans-61.7-45.6176.5-170.1-174.784.2-161.63.4111.8D113 I114 T118 G119 E120D113-R116 HydrophobicContact CB-CB 4.2Å; D113-R116 PolarHBondContact O-N 2.82Å; D113-R116 VanDerWaalsContact OD1-CB 3.3Å; D113-R116 WeakPolarHBondContact OD1-CB 3.48Å; D113-R116 PolarHBondContact OD1-N 2.94Å; D113-R116 WeakPolarHBondContact OD2-CB 3.18Å; D113-R116 IonicContact OD2-NH1 3.17Å; I114-R116 PolarHBondContact O-N 3.19Å; R116-T118 VanDerWaalsContact C-N 3.29Å; R116-T118 PolarHBondContact O-N 3.42Å; R116-G119 PolarHBondContact O-N 2.96Å; R116-G119 VanDerWaalsContact O-N 3.17Å; R116-E120 IonicContact NE-OE1 2.73Å; R116-E120 WeakPolarHBondContact O-CG 3.46Å; R116-E120 PolarHBondContact O-N 3.44Å
117L80.6Confident74.2Confident88 Ų88124 Ų12446%0.46168%0.679SS.*Hα-helixtrans-62.5-34.6178.3-69.6170.1000112.8D113 I114 P115 K121D113-L117 VanDerWaalsContact O-CG 3.26Å; D113-L117 WeakPolarHBondContact O-CG 3.4Å; D113-L117 PolarHBondContact O-N 3.14Å; D113-L117 VanDerWaalsContact O-N 3.07Å; I114-L117 PolarHBondContact O-N 3.16Å; P115-L117 PolarHBondContact O-N 3.26Å; L117-K121 PolarHBondContact O-N 3.36Å
118T83.5Confident74.1Confident76 Ų76125.4 Ų125.447%0.46668%0.683SS.*Hα-helixtrans-76.2-30.9175.652.30000112.7I114 P115 R116I114-T118 HydrophobicContact CG2-CG2 3.98Å; I114-T118 WeakPolarHBondContact O-CG2 3.46Å; I114-T118 PolarHBondContact O-N 3.34Å; I114-T118 PolarHBondContact O-OG1 3.17Å; P115-T118 WeakPolarHBondContact CA-OG1 3.48Å; P115-T118 PolarHBondContact O-N 3.29Å; P115-T118 PolarHBondContact O-OG1 2.92Å; R116-T118 VanDerWaalsContact C-N 3.29Å; R116-T118 PolarHBondContact O-N 3.42Å
119G80Confident73.6Confident67 Ų67129.1 Ų129.169%0.69170%0.699SS**Hα-helixtrans-74-33.3175.500000113.6P115 R116 K121P115-G119 PolarHBondContact O-N 3.5Å; R116-G119 PolarHBondContact O-N 2.96Å; R116-G119 VanDerWaalsContact O-N 3.17Å; G119-K121 VanDerWaalsContact C-N 3.32Å
120E77Confident73.2Confident129 Ų129129.7 Ų129.760%0.60369%0.692SS**Hα-helixtrans-75.5-20.4175.4-73.2175.9-173.700113.1R116 Q122R116-E120 IonicContact NE-OE1 2.73Å; R116-E120 WeakPolarHBondContact O-CG 3.46Å; R116-E120 PolarHBondContact O-N 3.44Å; E120-Q122 PolarHBondContact O-N 3.01Å
121K66.5Low72.9Confident155 Ų155128.3 Ų128.367%0.67469%0.69SS**SBendtrans-72.1101170.7-79.6-169.4178.7-169.20108.8L117 G119 F123L117-K121 PolarHBondContact O-N 3.36Å; G119-K121 VanDerWaalsContact C-N 3.32Å; K121-F123 PolarHBondContact O-N 3Å
122Q68.1Low72.5Confident184 Ų184132 Ų13286%0.8669%0.689SS**  trans-55.3108.2156-69.8-176.9-11.900106.9E120 Q124E120-Q122 PolarHBondContact O-N 3.01Å; Q122-Q124 PolarHBondContact O-N 2.94Å
123F66.4Low72Confident185 Ų185135.5 Ų135.581%0.81169%0.692SS**  trans-56.2114.3162.3-73.7-92.1000105.4K121 A125K121-F123 PolarHBondContact O-N 3Å; F123-A125 PolarHBondContact O-N 3.05Å
124Q59.7Low71.1Confident193 Ų193139.9 Ų139.990%0.90271%0.712SS**  trans-62.494.1158.6-70.1-179.4-4800104.4Q122 Y126Q122-Q124 PolarHBondContact O-N 2.94Å; Q124-Y126 VanDerWaalsContact C-N 3.31Å; Q124-Y126 PolarHBondContact O-N 2.9Å
125A62.7Low70.3Confident93 Ų93142.2 Ų142.277%0.76972%0.724SS**  trans-57.7104.7167.900000105.3F123 L127F123-A125 PolarHBondContact O-N 3.05Å; A125-L127 PolarHBondContact O-N 2.81Å
126Y54.6Low69.1Low216 Ų216146.3 Ų146.385%0.84773%0.734SS**  trans-68104.7170.2-170.6-88.2000105.9Q124Q124-Y126 VanDerWaalsContact C-N 3.31Å; Q124-Y126 PolarHBondContact O-N 2.9Å
127L45.4Very low67.7Low226 Ų226146.5 Ų146.5100%1.18375%0.751SS**  trans170162.4-63.8168.6000117A125A125-L127 PolarHBondContact O-N 2.81Å

Retrieved 127 of 127 residues in 36.8 ms (Link to these results)

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