A0A077ZK39_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZK39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 107 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
1M51.4Low54.6Low202 Ų20299.7 Ų99.7100%0.99549%0.489SS*.  0-34.90-69.4-164.8-172.900115.9Q3M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 2.8Å
2R53Low54.6Low225 Ų225101.1 Ų101.185%0.84949%0.491SS*.Hα-helixtrans-65.5-23.6-179.9-76.9-177.3179.9170.60.3114.9
3Q53.4Low54.9Low137 Ų137105.6 Ų105.664%0.6450%0.5SS*.Hα-helixtrans-79-41.8-175.7-135.1165.8-0.600112.1M1 A5 R6 C7M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 2.8Å; Q3-A5 PolarHBondContact O-N 3.16Å; Q3-R6 PolarHBondContact O-N 3.46Å; Q3-C7 PolarHBondContact O-N 3.15Å; Q3-C7 PolarHBondContact O-SG 3.24Å; Q3-C7 VanDerWaalsContact O-SG 3.4Å
4T46.4Very low54.8Low40 Ų40102.9 Ų102.925%0.24549%0.49CS..Hα-helixtrans-58.4-44177-34.80000112.2R6 C7 A8T4-R6 VanDerWaalsContact C-N 3.35Å; T4-R6 PolarHBondContact O-N 3.06Å; T4-C7 PolarHBondContact O-N 3.11Å; T4-A8 WeakPolarHBondContact O-CB 3.47Å; T4-A8 PolarHBondContact O-N 3.02Å
5A53.7Low54.6Low62 Ų6297.7 Ų97.751%0.51247%0.466SS..Hα-helixtrans-65-37.4178.100000112.3Q3 D9Q3-A5 PolarHBondContact O-N 3.16Å; A5-D9 VanDerWaalsContact O-CB 3.28Å; A5-D9 WeakPolarHBondContact O-CB 3.32Å; A5-D9 PolarHBondContact O-N 2.97Å
6R58.2Low54.3Low191 Ų191101.4 Ų101.472%0.72148%0.482SS*.Hα-helixtrans-68.6-43.6175.3-75.6-174.5-179.4-175.9-0.2111.9Q3 T4 A8 D9 E10Q3-R6 PolarHBondContact O-N 3.46Å; T4-R6 VanDerWaalsContact C-N 3.35Å; T4-R6 PolarHBondContact O-N 3.06Å; R6-A8 VanDerWaalsContact C-N 3.32Å; R6-A8 PolarHBondContact O-N 2.97Å; R6-D9 PolarHBondContact O-N 3.49Å; R6-E10 WeakPolarHBondContact O-CB 3.34Å; R6-E10 PolarHBondContact O-N 2.96Å
7C54.8Low53.8Low40 Ų40101.4 Ų101.427%0.2748%0.48SS..Hα-helixtrans-63.8-38.7177.3-66.50000111.9Q3 T4 G11Q3-C7 PolarHBondContact O-N 3.15Å; Q3-C7 PolarHBondContact O-SG 3.24Å; Q3-C7 VanDerWaalsContact O-SG 3.4Å; T4-C7 PolarHBondContact O-N 3.11Å; C7-G11 PolarHBondContact O-N 3.33Å
8A54.6Low52.9Low41 Ų41102.3 Ų102.334%0.33950%0.499SS..Hα-helixtrans-66-50.9173.900000111.2T4 R6 E10 G11 F12T4-A8 WeakPolarHBondContact O-CB 3.47Å; T4-A8 PolarHBondContact O-N 3.02Å; R6-A8 VanDerWaalsContact C-N 3.32Å; R6-A8 PolarHBondContact O-N 2.97Å; A8-E10 VanDerWaalsContact C-N 3.31Å; A8-E10 PolarHBondContact O-N 3.18Å; A8-G11 CarbonylContact O-C 3.42Å; A8-G11 WeakPolarHBondContact O-CA 3.49Å; A8-G11 PolarHBondContact O-N 3.29Å; A8-G11 VanDerWaalsContact O-N 3.11Å; A8-F12 HydrophobicContact CB-CD2 4.48Å; A8-F12 HydrophobicContact CB-CE2 4.42Å; A8-F12 WeakPolarHBondContact O-CD2 3.21Å; A8-F12 PolarHBondContact O-N 2.97Å
9D58.9Low52Low77 Ų77102.3 Ų102.341%0.41251%0.505SS..Hα-helixtrans-58.7-42178.1-170.472.9000111.8A5 R6 F12 R13A5-D9 VanDerWaalsContact O-CB 3.28Å; A5-D9 WeakPolarHBondContact O-CB 3.32Å; A5-D9 PolarHBondContact O-N 2.97Å; R6-D9 PolarHBondContact O-N 3.49Å; D9-F12 PolarHBondContact O-N 3.34Å; D9-R13 WeakPolarHBondContact O-CB 3.39Å; D9-R13 WeakPolarHBondContact O-CG 3.4Å; D9-R13 PolarHBondContact O-N 3.47Å; D9-R13 IonicContact OD2-CZ 3.4Å; D9-R13 IonicContact OD2-NE 2.77Å; D9-R13 PolarHBondContact OD2-NE 3.46Å; D9-R13 IonicContact OD2-NH2 3.15Å; D9-R13 PolarHBondContact OD2-NH2 2.87Å; D9-R13 VanDerWaalsContact OD2-NH2 3.15Å
10E58.4Low51.2Low79 Ų79100.1 Ų100.137%0.36950%0.504SS..Hα-helixtrans-68.7-36.6176.3-170172.4-179.900111.8R6 A8 N14 R50R6-E10 WeakPolarHBondContact O-CB 3.34Å; R6-E10 PolarHBondContact O-N 2.96Å; A8-E10 VanDerWaalsContact C-N 3.31Å; A8-E10 PolarHBondContact O-N 3.18Å; E10-N14 WeakPolarHBondContact CG-ND2 3.29Å; E10-N14 VanDerWaalsContact O-CB 3.27Å; E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 VanDerWaalsContact O-CG 3.29Å; E10-N14 PolarHBondContact O-N 3.13Å; E10-N14 PolarHBondContact O-ND2 2.95Å; E10-N14 VanDerWaalsContact O-ND2 3.12Å; E10-R50 IonicContact OE1-CZ 3.83Å; E10-R50 IonicContact OE1-NH1 2.65Å; E10-R50 PolarHBondContact OE1-NH1 2.91Å
11G57.4Low50.4Low3 Ų3103.6 Ų103.63%0.03152%0.523CS..Hα-helixtrans-59.6-47.6168.600000111.8C7 A8 M15C7-G11 PolarHBondContact O-N 3.33Å; A8-G11 CarbonylContact O-C 3.42Å; A8-G11 WeakPolarHBondContact O-CA 3.49Å; A8-G11 PolarHBondContact O-N 3.29Å; A8-G11 VanDerWaalsContact O-N 3.11Å; G11-M15 VanDerWaalsContact C-CE 3.46Å; G11-M15 WeakPolarHBondContact O-CB 3.32Å; G11-M15 WeakPolarHBondContact O-CE 3.31Å; G11-M15 VanDerWaalsContact O-CG 3.23Å; G11-M15 WeakPolarHBondContact O-CG 3.36Å; G11-M15 PolarHBondContact O-N 3.3Å
12F55.4Low49.6Very low116 Ų11696.6 Ų96.651%0.50950%0.503SS..Hα-helixtrans-65.2-40.2177.4-78.9-68.5000112.8A8 D9 M15 Q16 M68A8-F12 HydrophobicContact CB-CD2 4.48Å; A8-F12 HydrophobicContact CB-CE2 4.42Å; A8-F12 WeakPolarHBondContact O-CD2 3.21Å; A8-F12 PolarHBondContact O-N 2.97Å; D9-F12 PolarHBondContact O-N 3.34Å; F12-M15 CarbonylContact O-C 3.1Å; F12-Q16 PolarHBondContact O-N 2.95Å; F12-M68 HydrophobicContact CE1-CE 3.98Å; F12-M68 HydrophobicContact CZ-CE 4.27Å
13R58.5Low48.5Very low160 Ų16091 Ų9160%0.60451%0.506SS*.Hα-helixtrans-69.5-41.8176.4-74.9-175.5-161.2-124.2-0.3112.6D9 M15 Q16D9-R13 WeakPolarHBondContact O-CB 3.39Å; D9-R13 WeakPolarHBondContact O-CG 3.4Å; D9-R13 PolarHBondContact O-N 3.47Å; D9-R13 IonicContact OD2-CZ 3.4Å; D9-R13 IonicContact OD2-NE 2.77Å; D9-R13 PolarHBondContact OD2-NE 3.46Å; D9-R13 IonicContact OD2-NH2 3.15Å; D9-R13 PolarHBondContact OD2-NH2 2.87Å; D9-R13 VanDerWaalsContact OD2-NH2 3.15Å; R13-M15 VanDerWaalsContact C-N 3.3Å; R13-Q16 WeakPolarHBondContact O-CB 3.48Å; R13-Q16 VanDerWaalsContact O-CG 3.27Å; R13-Q16 WeakPolarHBondContact O-CG 3.35Å; R13-Q16 PolarHBondContact O-N 3.47Å
14N52.6Low47.6Very low68 Ų6893.1 Ų93.136%0.36451%0.512SS..Hα-helixtrans-76.4-22.6177.5-70.1-34.1000112.2E10 Q16E10-N14 WeakPolarHBondContact CG-ND2 3.29Å; E10-N14 VanDerWaalsContact O-CB 3.27Å; E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 VanDerWaalsContact O-CG 3.29Å; E10-N14 PolarHBondContact O-N 3.13Å; E10-N14 PolarHBondContact O-ND2 2.95Å; E10-N14 VanDerWaalsContact O-ND2 3.12Å; N14-Q16 PolarHBondContact O-N 2.72Å
15M51.9Low47.1Very low25 Ų25101 Ų10112%0.12355%0.546CS..THydrogen-bonded Turntrans-74.811.8161.9-77.2-174.7-83.900112.4G11 F12 R13 F17 F65 M72G11-M15 VanDerWaalsContact C-CE 3.46Å; G11-M15 WeakPolarHBondContact O-CB 3.32Å; G11-M15 WeakPolarHBondContact O-CE 3.31Å; G11-M15 VanDerWaalsContact O-CG 3.23Å; G11-M15 WeakPolarHBondContact O-CG 3.36Å; G11-M15 PolarHBondContact O-N 3.3Å; F12-M15 CarbonylContact O-C 3.1Å; R13-M15 VanDerWaalsContact C-N 3.3Å; M15-F17 HydrophobicContact CB-CE2 4.38Å; M15-F17 HydrophobicContact CB-CZ 4.29Å; M15-F17 WeakPolarHBondContact O-CA 3.33Å; M15-F17 WeakPolarHBondContact O-CD2 3.45Å; M15-F17 WeakPolarHBondContact O-CE2 3.3Å; M15-F17 VanDerWaalsContact O-CG 3.25Å; M15-F17 WeakPolarHBondContact O-CG 3.48Å; M15-F17 PolarHBondContact O-N 3.1Å; M15-F65 HydrophobicContact CE-CD2 3.61Å; M15-F65 HydrophobicContact CE-CE2 3.58Å; M15-F65 HydrophobicContact CG-CE2 4.04Å; M15-F65 HydrophobicContact SD-CD2 4.11Å; M15-F65 HydrophobicContact SD-CE2 3.56Å; M15-F65 VanDerWaalsContact SD-CE2 3.56Å; M15-F65 HydrophobicContact SD-CZ 4.31Å; M15-M72 HydrophobicContact SD-CE 4.19Å
16Q50.6Low46.2Very low156 Ų156108.2 Ų108.273%0.72956%0.56SS**  trans-53.898.6165.3-91.9-173.330.500108.5F12 R13 N14F12-Q16 PolarHBondContact O-N 2.95Å; R13-Q16 WeakPolarHBondContact O-CB 3.48Å; R13-Q16 VanDerWaalsContact O-CG 3.27Å; R13-Q16 WeakPolarHBondContact O-CG 3.35Å; R13-Q16 PolarHBondContact O-N 3.47Å; N14-Q16 PolarHBondContact O-N 2.72Å
17F44.6Very low45.2Very low101 Ų101103.7 Ų103.744%0.44356%0.558SS.*  trans-57.8147.9-173-63.8-87.7000108.2M15 V19 M72M15-F17 HydrophobicContact CB-CE2 4.38Å; M15-F17 HydrophobicContact CB-CZ 4.29Å; M15-F17 WeakPolarHBondContact O-CA 3.33Å; M15-F17 WeakPolarHBondContact O-CD2 3.45Å; M15-F17 WeakPolarHBondContact O-CE2 3.3Å; M15-F17 VanDerWaalsContact O-CG 3.25Å; M15-F17 WeakPolarHBondContact O-CG 3.48Å; M15-F17 PolarHBondContact O-N 3.1Å; F17-V19 HydrophobicContact CB-CB 4.26Å; F17-V19 HydrophobicContact CB-CG2 3.63Å; F17-V19 HydrophobicContact CG-CG2 4.43Å; F17-V19 PolarHBondContact O-N 3.29Å; F17-M72 HydrophobicContact CE1-CE 4.16Å; F17-M72 HydrophobicContact CE1-SD 3.48Å; F17-M72 WeakPolarHBondContact CE1-SD 3.49Å; F17-M72 HydrophobicContact CZ-CE 4.07Å; F17-M72 HydrophobicContact CZ-SD 3.32Å; F17-M72 WeakPolarHBondContact CZ-SD 3.06Å
18S39Very low44.5Very low119 Ų119107.8 Ų107.883%0.83258%0.581SS**  trans-63.742153-44.90000111.4A20S18-A20 PolarHBondContact O-N 3.24Å; S18-A20 VanDerWaalsContact O-N 3.11Å
19V35.7Very low43.9Very low101 Ų101111 Ų11161%0.61260%0.601SS**  trans-61.5111.7153.9171.90000103.7F17 L21F17-V19 HydrophobicContact CB-CB 4.26Å; F17-V19 HydrophobicContact CB-CG2 3.63Å; F17-V19 HydrophobicContact CG-CG2 4.43Å; F17-V19 PolarHBondContact O-N 3.29Å; V19-L21 VanDerWaalsContact C-N 3.28Å; V19-L21 PolarHBondContact O-N 3.24Å
20A36Very low43.1Very low59 Ų59115.9 Ų115.949%0.48862%0.622SS.*  trans-53.789.8-175.600000111S18 G22S18-A20 PolarHBondContact O-N 3.24Å; S18-A20 VanDerWaalsContact O-N 3.11Å; A20-G22 PolarHBondContact O-N 3.02Å
21L34.3Very low42.2Very low173 Ų173120.8 Ų120.891%0.90664%0.637SS**  trans-74.380.8159.6-83.7161.6000106.2V19V19-L21 VanDerWaalsContact C-N 3.28Å; V19-L21 PolarHBondContact O-N 3.24Å
22G33.1Very low41.3Very low55 Ų55127.8 Ų127.857%0.56767%0.669SS**SBendtrans168.191.6-178.900000111.3A20 K24A20-G22 PolarHBondContact O-N 3.02Å; G22-K24 PolarHBondContact O-N 3.41Å
23A31.2Very low40.6Very low109 Ų109130.3 Ų130.390%0.90168%0.682SS**  trans-51.494.9168.800000111
24K33.5Very low39.4Very low180 Ų180133.4 Ų133.478%0.78369%0.693SS**  trans-164.9107.3151.8-113.8171.2-177.8174.70106.7G22 R26G22-K24 PolarHBondContact O-N 3.41Å; K24-R26 PolarHBondContact O-N 2.87Å
25E36.1Very low38.6Very low205 Ų205134.4 Ų134.496%0.95871%0.705SS**  trans-57.984.3166.3-65.9-178.2146.700108.4
26R35.5Very low38.1Very low215 Ų215137.9 Ų137.981%0.81173%0.729SS**  trans-86.8115.3163.2-86.4-168.8-179.1-175.61.4107K24 V28K24-R26 PolarHBondContact O-N 2.87Å; R26-V28 PolarHBondContact O-N 3.32Å
27S36.4Very low37.5Very low95 Ų95139 Ų13966%0.66473%0.732SS**  trans-11.4113.5169.2-42.90000113.8S29 E30S27-S29 PolarHBondContact O-N 2.71Å; S27-E30 PolarHBondContact O-N 3.27Å
28V40.3Very low37.4Very low126 Ų126140.7 Ų140.776%0.76474%0.741SS**THydrogen-bonded Turntrans-57.5-11.6-175.6175.70000113.6R26R26-V28 PolarHBondContact O-N 3.32Å
29S43.1Very low38.1Very low108 Ų108137.3 Ų137.376%0.75572%0.721SS**THydrogen-bonded Turntrans-79.4-12.9-176.5-171.80000115.9S27S27-S29 PolarHBondContact O-N 2.71Å
30E40.9Very low39.1Very low181 Ų181134.8 Ų134.885%0.84670%0.702SS**SBendtrans-109.8-9.1-174.2-149176.3-17100113.5S27S27-E30 PolarHBondContact O-N 3.27Å
31R40.7Very low40.3Very low181 Ų181133.9 Ų133.968%0.68370%0.699SS**SBendtrans-88.3-5-176.2-138.1178.2-169.9-175.92.8113.8
32E38.8Very low41.8Very low151 Ų151135 Ų13571%0.70669%0.691SS**SBendtrans-92.1-4.4-163.3-140.6169.7-161.200114.2
33H39.6Very low43.2Very low168 Ų168135.9 Ų135.978%0.77868%0.682SS**SBendtrans-123.5-8.8-166.8-83.755.9000117.4
34R33.5Very low44.8Very low225 Ų225136.3 Ų136.385%0.84966%0.66SS**SBendtrans-150.4133.3176.9-69.4-172.8173.6165.5-3.4112.2
35C36Very low46.4Very low89 Ų89131.2 Ų131.260%0.60165%0.648SS**SBendtrans90.422159.2-62.60000123.6
36P42.1Very low47.9Very low99 Ų99125.4 Ų125.464%0.64362%0.621SS**SBendtrans-86.9-36.4156.5-10.426.2000112.5H40P36-H40 WeakPolarHBondContact O-CB 3.42Å; P36-H40 PolarHBondContact O-N 2.82Å
37F37Very low49.1Very low180 Ų180116.2 Ų116.279%0.78959%0.587SS**Hα-helixtrans-76.2-40.2-170-162.4-98.3000113.3H40 G41F37-H40 WeakPolarHBondContact O-CB 3.39Å; F37-H40 PolarHBondContact O-N 2.85Å; F37-G41 PolarHBondContact O-N 2.89Å
38E42.8Very low50.4Low135 Ų135114.2 Ų114.263%0.63157%0.57SS**Hα-helixtrans-67.3-38175.9-71.9-174.3162.500112.3H40 G41 R42E38-H40 VanDerWaalsContact C-N 3.33Å; E38-G41 PolarHBondContact O-N 3Å; E38-R42 WeakPolarHBondContact O-CG 3.33Å; E38-R42 PolarHBondContact O-N 3.44Å
39A54.4Low51.7Low49 Ų49112.2 Ų112.241%0.40556%0.562SS.*Hα-helixtrans-65-40.217300000110.9R42 L43A39-R42 PolarHBondContact O-N 3.35Å; A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.43Å
40H57.2Low52.7Low47 Ų47113.3 Ų113.322%0.21855%0.55CS..Hα-helixtrans-63.9-43.6175.6-157-89.4000112.5P36 F37 E38 R42 L43 R44 E69P36-H40 WeakPolarHBondContact O-CB 3.42Å; P36-H40 PolarHBondContact O-N 2.82Å; F37-H40 WeakPolarHBondContact O-CB 3.39Å; F37-H40 PolarHBondContact O-N 2.85Å; E38-H40 VanDerWaalsContact C-N 3.33Å; H40-R42 VanDerWaalsContact C-N 3.35Å; H40-R42 PolarHBondContact O-N 2.85Å; H40-L43 PolarHBondContact O-N 3.36Å; H40-R44 WeakPolarHBondContact O-CB 3.47Å; H40-R44 PolarHBondContact O-N 3.3Å; H40-E69 IonicContact CE1-OE1 2.9Å; H40-E69 PolarHBondContact CE1-OE1 3.35Å; H40-E69 IonicContact ND1-OE1 3.32Å; H40-E69 PolarHBondContact ND1-OE1 3.48Å
41G61Low53.5Low40 Ų40105.6 Ų105.641%0.41251%0.514SS..Hα-helixtrans-61.2-41.7174.800000112.4F37 E38 S45F37-G41 PolarHBondContact O-N 2.89Å; E38-G41 PolarHBondContact O-N 3Å; G41-S45 VanDerWaalsContact O-CB 3.3Å; G41-S45 WeakPolarHBondContact O-CB 3.3Å; G41-S45 PolarHBondContact O-N 2.9Å
42R64.6Low54.2Low197 Ų197100 Ų10074%0.74350%0.499SS*.Hα-helixtrans-65.9-43.5175.2-75.1179.8-174.7-1032.1112.5E38 A39 H40 S45 Q46E38-R42 WeakPolarHBondContact O-CG 3.33Å; E38-R42 PolarHBondContact O-N 3.44Å; A39-R42 PolarHBondContact O-N 3.35Å; H40-R42 VanDerWaalsContact C-N 3.35Å; H40-R42 PolarHBondContact O-N 2.85Å; R42-S45 PolarHBondContact O-N 3.29Å; R42-Q46 VanDerWaalsContact O-CB 3.29Å; R42-Q46 WeakPolarHBondContact O-CB 3.48Å; R42-Q46 PolarHBondContact O-N 2.86Å
43L62.6Low55.1Low73 Ų7397.9 Ų97.938%0.38250%0.499SS..Hα-helixtrans-64.4-43.9177.3-74.1171.7000111.5A39 H40 Q46 F47A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.43Å; H40-L43 PolarHBondContact O-N 3.36Å; L43-Q46 PolarHBondContact O-N 3.4Å; L43-F47 WeakPolarHBondContact O-CB 3.4Å; L43-F47 PolarHBondContact O-N 3.4Å
44R65.1Low56.1Low118 Ų11899.7 Ų99.745%0.44550%0.499SS..Hα-helixtrans-59.9-47.9174.1-175.8175.9172.8-173.9-2.2110.9H40 Q46 F47 T48 F65H40-R44 WeakPolarHBondContact O-CB 3.47Å; H40-R44 PolarHBondContact O-N 3.3Å; R44-Q46 VanDerWaalsContact C-N 3.33Å; R44-Q46 PolarHBondContact O-N 3.17Å; R44-F47 PolarHBondContact O-N 2.98Å; R44-T48 WeakPolarHBondContact O-CG2 3.41Å; R44-T48 PolarHBondContact O-N 3.29Å; R44-T48 PolarHBondContact O-OG1 3.37Å; R44-F65 HydrophobicContact CG-CE1 4.4Å
45S67.4Low57.6Low74 Ų7492.3 Ų92.352%0.51748%0.479SS..Hα-helixtrans-60.9-41.6177.3-172.10000112.2G41 R42 T48 S49G41-S45 VanDerWaalsContact O-CB 3.3Å; G41-S45 WeakPolarHBondContact O-CB 3.3Å; G41-S45 PolarHBondContact O-N 2.9Å; R42-S45 PolarHBondContact O-N 3.29Å; S45-T48 VanDerWaalsContact CA-OG1 3.31Å; S45-T48 WeakPolarHBondContact CA-OG1 3.3Å; S45-T48 PolarHBondContact O-N 2.9Å; S45-T48 PolarHBondContact O-OG1 2.89Å; S45-S49 VanDerWaalsContact O-CB 3.32Å; S45-S49 WeakPolarHBondContact O-CB 3.5Å; S45-S49 PolarHBondContact O-N 3.32Å; S45-S49 PolarHBondContact O-OG 3.4Å
46Q67.3Low59Low83 Ų8397.3 Ų97.339%0.38849%0.485SS..Hα-helixtrans-65.4-43.7178-172.7178.542.100110.7R42 L43 R44 S49 R50R42-Q46 VanDerWaalsContact O-CB 3.29Å; R42-Q46 WeakPolarHBondContact O-CB 3.48Å; R42-Q46 PolarHBondContact O-N 2.86Å; L43-Q46 PolarHBondContact O-N 3.4Å; R44-Q46 VanDerWaalsContact C-N 3.33Å; R44-Q46 PolarHBondContact O-N 3.17Å; Q46-S49 WeakPolarHBondContact CA-OG 3.35Å; Q46-S49 PolarHBondContact O-N 3.28Å; Q46-S49 PolarHBondContact O-OG 2.93Å; Q46-R50 WeakPolarHBondContact O-CG 3.47Å; Q46-R50 PolarHBondContact O-N 3.45Å; Q46-R50 VanDerWaalsContact O-N 3.13Å
47F61.7Low60Low22 Ų2296.1 Ų96.110%0.09647%0.471CS..Hα-helixtrans-62.7-47.8176.1-170.2-108.1000111.3L43 R44 S49 R50 I51 F65L43-F47 WeakPolarHBondContact O-CB 3.4Å; L43-F47 PolarHBondContact O-N 3.4Å; R44-F47 PolarHBondContact O-N 2.98Å; F47-S49 VanDerWaalsContact C-N 3.27Å; F47-S49 PolarHBondContact O-N 3.27Å; F47-R50 PolarHBondContact O-N 3.3Å; F47-I51 HydrophobicContact CD1-CD1 3.65Å; F47-I51 HydrophobicContact CD2-CD1 4.37Å; F47-I51 HydrophobicContact CE1-CD1 3.16Å; F47-I51 HydrophobicContact CE1-CG1 4.38Å; F47-I51 HydrophobicContact CE2-CD1 3.95Å; F47-I51 HydrophobicContact CG-CD1 4.25Å; F47-I51 HydrophobicContact CZ-CD1 3.35Å; F47-I51 HydrophobicContact CZ-CG1 4.46Å; F47-I51 WeakPolarHBondContact O-CG1 3.42Å; F47-I51 PolarHBondContact O-N 2.78Å; F47-F65 HydrophobicContact CD1-CD1 4.47Å; F47-F65 AromaticContact CD1-CD2 3.95Å; F47-F65 HydrophobicContact CD1-CD2 3.95Å; F47-F65 HydrophobicContact CD1-CE2 4.28Å; F47-F65 HydrophobicContact CD1-CG 4.06Å; F47-F65 HydrophobicContact CE1-CB 3.81Å; F47-F65 AromaticContact CE1-CD2 3.68Å; F47-F65 HydrophobicContact CE1-CD2 3.68Å; F47-F65 HydrophobicContact CE1-CE2 4.42Å; F47-F65 AromaticContact CE1-CG 3.75Å; F47-F65 HydrophobicContact CE1-CG 3.75Å; F47-F65 HydrophobicContact CG-CE2 4.49Å; F47-F65 HydrophobicContact CZ-CB 4.46Å; F47-F65 HydrophobicContact CZ-CD2 4.04Å; F47-F65 HydrophobicContact CZ-CG 4.47Å
48T63.1Low61.1Low52 Ų5288 Ų8832%0.31944%0.438SS..Hα-helixtrans-67.1-25.2176.753.60000113.4R44 S45 L62R44-T48 WeakPolarHBondContact O-CG2 3.41Å; R44-T48 PolarHBondContact O-N 3.29Å; R44-T48 PolarHBondContact O-OG1 3.37Å; S45-T48 VanDerWaalsContact CA-OG1 3.31Å; S45-T48 WeakPolarHBondContact CA-OG1 3.3Å; S45-T48 PolarHBondContact O-N 2.9Å; S45-T48 PolarHBondContact O-OG1 2.89Å; T48-L62 HydrophobicContact CG2-CD1 3.9Å
49S66.6Low62.4Low85 Ų8582.8 Ų82.859%0.59442%0.42SS*.Hα-helixtrans-76.7-27.8174.469.20000113.2S45 Q46 F47S45-S49 VanDerWaalsContact O-CB 3.32Å; S45-S49 WeakPolarHBondContact O-CB 3.5Å; S45-S49 PolarHBondContact O-N 3.32Å; S45-S49 PolarHBondContact O-OG 3.4Å; Q46-S49 WeakPolarHBondContact CA-OG 3.35Å; Q46-S49 PolarHBondContact O-N 3.28Å; Q46-S49 PolarHBondContact O-OG 2.93Å; F47-S49 VanDerWaalsContact C-N 3.27Å; F47-S49 PolarHBondContact O-N 3.27Å
50R64Low63.2Low131 Ų13182.4 Ų82.449%0.49441%0.413SS..Hα-helixtrans-82.2-33.8176-71.3-178.4-172.8-165.34.7111.6E10 Q46 F47 V52E10-R50 IonicContact OE1-CZ 3.83Å; E10-R50 IonicContact OE1-NH1 2.65Å; E10-R50 PolarHBondContact OE1-NH1 2.91Å; Q46-R50 WeakPolarHBondContact O-CG 3.47Å; Q46-R50 PolarHBondContact O-N 3.45Å; Q46-R50 VanDerWaalsContact O-N 3.13Å; F47-R50 PolarHBondContact O-N 3.3Å; R50-V52 PolarHBondContact O-N 3.35Å
51I57.8Low63.6Low19 Ų1980.7 Ų80.710%0.09741%0.406CS..SBendtrans-82.9101.8174.5-64.9-176.5000108F47 P53 A58 C61F47-I51 HydrophobicContact CD1-CD1 3.65Å; F47-I51 HydrophobicContact CD2-CD1 4.37Å; F47-I51 HydrophobicContact CE1-CD1 3.16Å; F47-I51 HydrophobicContact CE1-CG1 4.38Å; F47-I51 HydrophobicContact CE2-CD1 3.95Å; F47-I51 HydrophobicContact CG-CD1 4.25Å; F47-I51 HydrophobicContact CZ-CD1 3.35Å; F47-I51 HydrophobicContact CZ-CG1 4.46Å; F47-I51 WeakPolarHBondContact O-CG1 3.42Å; F47-I51 PolarHBondContact O-N 2.78Å; I51-P53 WeakPolarHBondContact O-CD 3.17Å; I51-A58 HydrophobicContact CG2-CB 3.26Å; I51-C61 HydrophobicContact CD1-CB 4.11Å
52V56.4Low64Low62 Ų6281.8 Ų81.838%0.37640%0.402SS..  trans-73.2123.4178.3-128.70000110.1R50 W54 A58R50-V52 PolarHBondContact O-N 3.35Å; V52-W54 HydrophobicContact CB-CD2 3.77Å; V52-W54 HydrophobicContact CB-CE3 4.34Å; V52-W54 HydrophobicContact CB-CG 4.31Å; V52-W54 HydrophobicContact CB-CH2 4.18Å; V52-W54 HydrophobicContact CB-CZ2 3.59Å; V52-W54 HydrophobicContact CG1-CD2 3.61Å; V52-W54 HydrophobicContact CG1-CE3 3.73Å; V52-W54 HydrophobicContact CG1-CH2 3.09Å; V52-W54 HydrophobicContact CG1-CZ2 2.95Å; V52-W54 HydrophobicContact CG1-CZ3 3.47Å; V52-W54 VanDerWaalsContact CG1-CZ3 3.47Å; V52-W54 HydrophobicContact CG2-CZ2 4.13Å; V52-W54 PolarHBondContact O-N 3.49Å; V52-A58 WeakPolarHBondContact O-CB 3.27Å
53P57.8Low64.4Low108 Ų10880 Ų8070%0.70140%0.395SS*.THydrogen-bonded Turntrans-685.5-161.5-20.632.6000116I51I51-P53 WeakPolarHBondContact O-CD 3.17Å
54W59.2Low64.9Low205 Ų20580.9 Ų80.978%0.77740%0.4SS*.THydrogen-bonded Turntrans-96.4-10.4-166.737.972.8000115.2V52V52-W54 HydrophobicContact CB-CD2 3.77Å; V52-W54 HydrophobicContact CB-CE3 4.34Å; V52-W54 HydrophobicContact CB-CG 4.31Å; V52-W54 HydrophobicContact CB-CH2 4.18Å; V52-W54 HydrophobicContact CB-CZ2 3.59Å; V52-W54 HydrophobicContact CG1-CD2 3.61Å; V52-W54 HydrophobicContact CG1-CE3 3.73Å; V52-W54 HydrophobicContact CG1-CH2 3.09Å; V52-W54 HydrophobicContact CG1-CZ2 2.95Å; V52-W54 HydrophobicContact CG1-CZ3 3.47Å; V52-W54 VanDerWaalsContact CG1-CZ3 3.47Å; V52-W54 HydrophobicContact CG2-CZ2 4.13Å; V52-W54 PolarHBondContact O-N 3.49Å
55T65.2Low65.2Low70 Ų7076 Ų7643%0.42938%0.382SS..SBendtrans-95.9142.9174.167.30000111.5E57 A58 G59T55-E57 PolarHBondContact O-N 2.84Å; T55-A58 WeakPolarHBondContact O-CB 3.32Å; T55-A58 PolarHBondContact O-N 3.42Å; T55-A58 VanDerWaalsContact O-N 3.11Å; T55-A58 WeakPolarHBondContact OG1-CB 3.23Å; T55-A58 PolarHBondContact OG1-N 3.23Å; T55-G59 PolarHBondContact O-N 3.02Å; T55-G59 VanDerWaalsContact O-N 3.16Å
56W66.3Low65.5Low194 Ų19475 Ų7574%0.73537%0.373SS*.Hα-helixtrans-51.5-40.9168.7164.2-98.5000111.2A58 G59 V60W56-A58 PolarHBondContact O-N 3.34Å; W56-G59 PolarHBondContact O-N 2.92Å; W56-G59 VanDerWaalsContact O-N 3.15Å; W56-V60 HydrophobicContact CD2-CG2 4.39Å; W56-V60 HydrophobicContact CZ2-CG2 4.05Å; W56-V60 WeakPolarHBondContact O-CG2 3.17Å; W56-V60 PolarHBondContact O-N 3.01Å
57E62.4Low65.9Low74 Ų7476.5 Ų76.535%0.34638%0.38SS..Hα-helixtrans-61.5-41.3178.3-60.4-173.4155.800112.5T55 G59 V60 C61T55-E57 PolarHBondContact O-N 2.84Å; E57-G59 VanDerWaalsContact C-N 3.32Å; E57-G59 PolarHBondContact O-N 3.12Å; E57-V60 PolarHBondContact O-N 3.27Å; E57-C61 PolarHBondContact O-N 2.8Å; E57-C61 PolarHBondContact O-SG 2.88Å; E57-C61 VanDerWaalsContact O-SG 3.41Å
58A61.3Low66.5Low10 Ų1078.7 Ų78.78%0.08339%0.391CS..Hα-helixtrans-60-42.1173.100000112.1I51 V52 T55 W56 V60 C61 L62I51-A58 HydrophobicContact CG2-CB 3.26Å; V52-A58 WeakPolarHBondContact O-CB 3.27Å; T55-A58 WeakPolarHBondContact O-CB 3.32Å; T55-A58 PolarHBondContact O-N 3.42Å; T55-A58 VanDerWaalsContact O-N 3.11Å; T55-A58 WeakPolarHBondContact OG1-CB 3.23Å; T55-A58 PolarHBondContact OG1-N 3.23Å; W56-A58 PolarHBondContact O-N 3.34Å; A58-V60 VanDerWaalsContact C-N 3.33Å; A58-V60 PolarHBondContact O-N 2.93Å; A58-C61 PolarHBondContact O-N 3.33Å; A58-L62 PolarHBondContact O-N 2.65Å
59G68.4Low67.1Low26 Ų2677.4 Ų77.427%0.26838%0.382SS..Hα-helixtrans-65.2-33176.400000113.6T55 W56 E57 R63T55-G59 PolarHBondContact O-N 3.02Å; T55-G59 VanDerWaalsContact O-N 3.16Å; W56-G59 PolarHBondContact O-N 2.92Å; W56-G59 VanDerWaalsContact O-N 3.15Å; E57-G59 VanDerWaalsContact C-N 3.32Å; E57-G59 PolarHBondContact O-N 3.12Å; G59-R63 PolarHBondContact O-N 2.89Å
60V72.6Confident67.5Low41 Ų4176.4 Ų76.425%0.24838%0.375CS..Hα-helixtrans-68.3-49.3172.2175.60000110.1W56 E57 A58 L62 R63 D64W56-V60 HydrophobicContact CD2-CG2 4.39Å; W56-V60 HydrophobicContact CZ2-CG2 4.05Å; W56-V60 WeakPolarHBondContact O-CG2 3.17Å; W56-V60 PolarHBondContact O-N 3.01Å; E57-V60 PolarHBondContact O-N 3.27Å; A58-V60 VanDerWaalsContact C-N 3.33Å; A58-V60 PolarHBondContact O-N 2.93Å; V60-L62 VanDerWaalsContact C-N 3.3Å; V60-L62 PolarHBondContact O-N 2.85Å; V60-R63 WeakPolarHBondContact O-CB 3.21Å; V60-R63 PolarHBondContact O-N 2.89Å; V60-R63 VanDerWaalsContact O-N 3.1Å; V60-D64 PolarHBondContact O-N 2.82Å
61C65.5Low67.9Low11 Ų1173.7 Ų73.77%0.07437%0.37CS..Hα-helixtrans-59.2-39.1178.7-670000113.1I51 E57 A58 D64 F65I51-C61 HydrophobicContact CD1-CB 4.11Å; E57-C61 PolarHBondContact O-N 2.8Å; E57-C61 PolarHBondContact O-SG 2.88Å; E57-C61 VanDerWaalsContact O-SG 3.41Å; A58-C61 PolarHBondContact O-N 3.33Å; C61-D64 PolarHBondContact O-N 3.38Å; C61-F65 WeakPolarHBondContact O-CB 3.48Å; C61-F65 PolarHBondContact O-N 2.9Å
62L68.6Low68.5Low63 Ų6374.5 Ų74.533%0.3337%0.373SS..Hα-helixtrans-67.8-36.8177.6-174.262.2000112.1T48 A58 V60 T66T48-L62 HydrophobicContact CG2-CD1 3.9Å; A58-L62 PolarHBondContact O-N 2.65Å; V60-L62 VanDerWaalsContact C-N 3.3Å; V60-L62 PolarHBondContact O-N 2.85Å; L62-T66 WeakPolarHBondContact O-CB 3.32Å; L62-T66 PolarHBondContact O-N 3.11Å; L62-T66 PolarHBondContact O-OG1 2.83Å
63R73.5Confident69.2Low160 Ų16075 Ų7560%0.60437%0.374SS*.Hα-helixtrans-64.9-46.8173.9-85.4-173.5-102.4-141.9-0.7111.5G59 V60 F65 T66 H67G59-R63 PolarHBondContact O-N 2.89Å; V60-R63 WeakPolarHBondContact O-CB 3.21Å; V60-R63 PolarHBondContact O-N 2.89Å; V60-R63 VanDerWaalsContact O-N 3.1Å; R63-F65 VanDerWaalsContact C-N 3.33Å; R63-F65 PolarHBondContact O-N 3.46Å; R63-T66 PolarHBondContact O-N 3.47Å; R63-H67 WeakPolarHBondContact O-CB 3.42Å; R63-H67 PolarHBondContact O-N 3.38Å
64D72.3Confident69.7Low91 Ų9176.2 Ų76.249%0.48737%0.366SS..Hα-helixtrans-60.7-43.9177.3-66.3-20.3000110.9V60 C61 H67 M68V60-D64 PolarHBondContact O-N 2.82Å; C61-D64 PolarHBondContact O-N 3.38Å; D64-H67 PolarHBondContact O-N 3.45Å; D64-M68 WeakPolarHBondContact O-CB 3.03Å; D64-M68 VanDerWaalsContact O-CG 3.3Å; D64-M68 WeakPolarHBondContact O-CG 3.28Å; D64-M68 PolarHBondContact O-N 3.47Å
65F71.3Confident70Confident14 Ų1471 Ų716%0.06135%0.35CS..Hα-helixtrans-59.7-48.9175.4-177.3-88.4000112M15 R44 F47 C61 R63 H67 M68 E69M15-F65 HydrophobicContact CE-CD2 3.61Å; M15-F65 HydrophobicContact CE-CE2 3.58Å; M15-F65 HydrophobicContact CG-CE2 4.04Å; M15-F65 HydrophobicContact SD-CD2 4.11Å; M15-F65 HydrophobicContact SD-CE2 3.56Å; M15-F65 VanDerWaalsContact SD-CE2 3.56Å; M15-F65 HydrophobicContact SD-CZ 4.31Å; R44-F65 HydrophobicContact CG-CE1 4.4Å; F47-F65 HydrophobicContact CD1-CD1 4.47Å; F47-F65 AromaticContact CD1-CD2 3.95Å; F47-F65 HydrophobicContact CD1-CD2 3.95Å; F47-F65 HydrophobicContact CD1-CE2 4.28Å; F47-F65 HydrophobicContact CD1-CG 4.06Å; F47-F65 HydrophobicContact CE1-CB 3.81Å; F47-F65 AromaticContact CE1-CD2 3.68Å; F47-F65 HydrophobicContact CE1-CD2 3.68Å; F47-F65 HydrophobicContact CE1-CE2 4.42Å; F47-F65 AromaticContact CE1-CG 3.75Å; F47-F65 HydrophobicContact CE1-CG 3.75Å; F47-F65 HydrophobicContact CG-CE2 4.49Å; F47-F65 HydrophobicContact CZ-CB 4.46Å; F47-F65 HydrophobicContact CZ-CD2 4.04Å; F47-F65 HydrophobicContact CZ-CG 4.47Å; C61-F65 WeakPolarHBondContact O-CB 3.48Å; C61-F65 PolarHBondContact O-N 2.9Å; R63-F65 VanDerWaalsContact C-N 3.33Å; R63-F65 PolarHBondContact O-N 3.46Å; F65-H67 VanDerWaalsContact C-N 3.29Å; F65-H67 PolarHBondContact O-N 2.95Å; F65-M68 PolarHBondContact O-N 3.38Å; F65-E69 WeakPolarHBondContact O-CB 3.43Å; F65-E69 PolarHBondContact O-N 3.36Å
66T74Confident70Confident53 Ų5373.9 Ų73.933%0.32535%0.353SS..Hα-helixtrans-64.3-36.3-179.9-52.80000111.4L62 R63 S70L62-T66 WeakPolarHBondContact O-CB 3.32Å; L62-T66 PolarHBondContact O-N 3.11Å; L62-T66 PolarHBondContact O-OG1 2.83Å; R63-T66 PolarHBondContact O-N 3.47Å; T66-S70 WeakPolarHBondContact O-CB 3.33Å; T66-S70 PolarHBondContact O-N 2.82Å; T66-S70 PolarHBondContact O-OG 3.41Å
67H76.3Confident69.8Low115 Ų11568.3 Ų68.353%0.53234%0.344SS..Hα-helixtrans-65.8-46.4175.4-174.266.1000111.4R63 D64 F65 S70 L71R63-H67 WeakPolarHBondContact O-CB 3.42Å; R63-H67 PolarHBondContact O-N 3.38Å; D64-H67 PolarHBondContact O-N 3.45Å; F65-H67 VanDerWaalsContact C-N 3.29Å; F65-H67 PolarHBondContact O-N 2.95Å; H67-S70 WeakPolarHBondContact O-CB 3.42Å; H67-S70 PolarHBondContact O-N 3.25Å; H67-L71 WeakPolarHBondContact O-CG 3.46Å; H67-L71 PolarHBondContact O-N 2.94Å
68M74.4Confident69.8Low69 Ų6973.2 Ų73.234%0.3436%0.359SS..Hα-helixtrans-63-43.4176.5-71-63.6-71.500112.2F12 D64 F65 S70 L71 M72F12-M68 HydrophobicContact CE1-CE 3.98Å; F12-M68 HydrophobicContact CZ-CE 4.27Å; D64-M68 WeakPolarHBondContact O-CB 3.03Å; D64-M68 VanDerWaalsContact O-CG 3.3Å; D64-M68 WeakPolarHBondContact O-CG 3.28Å; D64-M68 PolarHBondContact O-N 3.47Å; F65-M68 PolarHBondContact O-N 3.38Å; M68-S70 VanDerWaalsContact C-N 3.3Å; M68-S70 PolarHBondContact O-N 2.94Å; M68-L71 PolarHBondContact O-N 3.32Å; M68-L71 HydrophobicContact SD-CD1 4.27Å; M68-M72 WeakPolarHBondContact O-CG 3.5Å; M68-M72 PolarHBondContact O-N 2.97Å
69E74.5Confident69.4Low25 Ų2573.7 Ų73.712%0.11736%0.362CS..Hα-helixtrans-56.5-45.6173.2-177.7-176.9-173.900111.2H40 F65 M72 N73H40-E69 IonicContact CE1-OE1 2.9Å; H40-E69 PolarHBondContact CE1-OE1 3.35Å; H40-E69 IonicContact ND1-OE1 3.32Å; H40-E69 PolarHBondContact ND1-OE1 3.48Å; F65-E69 WeakPolarHBondContact O-CB 3.43Å; F65-E69 PolarHBondContact O-N 3.36Å; E69-M72 PolarHBondContact O-N 3.41Å; E69-N73 WeakPolarHBondContact O-CB 2.88Å; E69-N73 PolarHBondContact O-N 3.32Å; E69-N73 PolarHBondContact O-ND2 2.74Å
70S75.5Confident68.7Low64 Ų6476.8 Ų76.845%0.44839%0.385SS..Hα-helixtrans-64.4-43178.8-59.30000112.2T66 H67 M68 M72 N73 Y74T66-S70 WeakPolarHBondContact O-CB 3.33Å; T66-S70 PolarHBondContact O-N 2.82Å; T66-S70 PolarHBondContact O-OG 3.41Å; H67-S70 WeakPolarHBondContact O-CB 3.42Å; H67-S70 PolarHBondContact O-N 3.25Å; M68-S70 VanDerWaalsContact C-N 3.3Å; M68-S70 PolarHBondContact O-N 2.94Å; S70-M72 VanDerWaalsContact C-N 3.34Å; S70-M72 PolarHBondContact O-N 2.87Å; S70-N73 PolarHBondContact O-N 3.45Å; S70-Y74 VanDerWaalsContact O-CB 3.3Å; S70-Y74 WeakPolarHBondContact O-CB 3.4Å; S70-Y74 PolarHBondContact O-N 2.97Å
71L72.3Confident67.6Low74 Ų7478.6 Ų78.639%0.38741%0.412SS..Hα-helixtrans-61.8-42.6175.7-75.3175.1000111.7H67 M68 Y74 Q75H67-L71 WeakPolarHBondContact O-CG 3.46Å; H67-L71 PolarHBondContact O-N 2.94Å; M68-L71 PolarHBondContact O-N 3.32Å; M68-L71 HydrophobicContact SD-CD1 4.27Å; L71-Y74 WeakPolarHBondContact O-CB 3.49Å; L71-Y74 PolarHBondContact O-N 3.11Å; L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.66Å
72M71.5Confident66.6Low35 Ų3579.8 Ų79.817%0.17242%0.422CS..Hα-helixtrans-67-41.9176.9-71.4-171.7-68.700112M15 F17 M68 E69 S70 Y74 Q75 R76M15-M72 HydrophobicContact SD-CE 4.19Å; F17-M72 HydrophobicContact CE1-CE 4.16Å; F17-M72 HydrophobicContact CE1-SD 3.48Å; F17-M72 WeakPolarHBondContact CE1-SD 3.49Å; F17-M72 HydrophobicContact CZ-CE 4.07Å; F17-M72 HydrophobicContact CZ-SD 3.32Å; F17-M72 WeakPolarHBondContact CZ-SD 3.06Å; M68-M72 WeakPolarHBondContact O-CG 3.5Å; M68-M72 PolarHBondContact O-N 2.97Å; E69-M72 PolarHBondContact O-N 3.41Å; S70-M72 VanDerWaalsContact C-N 3.34Å; S70-M72 PolarHBondContact O-N 2.87Å; M72-Y74 VanDerWaalsContact C-N 3.3Å; M72-Y74 PolarHBondContact O-N 3.45Å; M72-Q75 PolarHBondContact O-N 3.44Å; M72-R76 WeakPolarHBondContact O-CB 3.35Å; M72-R76 WeakPolarHBondContact O-CG 3.42Å; M72-R76 PolarHBondContact O-N 2.79Å
73N69.9Low65.6Low74 Ų7480.6 Ų80.640%0.39643%0.433SS..Hα-helixtrans-64.2-37.3175.1-74.8-24.3000111.6E69 S70 R76 S77E69-N73 WeakPolarHBondContact O-CB 2.88Å; E69-N73 PolarHBondContact O-N 3.32Å; E69-N73 PolarHBondContact O-ND2 2.74Å; S70-N73 PolarHBondContact O-N 3.45Å; N73-R76 PolarHBondContact O-N 2.77Å; N73-S77 WeakPolarHBondContact O-CB 3.25Å; N73-S77 PolarHBondContact O-N 2.95Å; N73-S77 PolarHBondContact O-OG 3.15Å
74Y69Low64.2Low132 Ų13277.3 Ų77.352%0.51842%0.423SS..Hα-helixtrans-65.1-41.8172.3177-106.5000112.5S70 L71 M72 S77 R78S70-Y74 VanDerWaalsContact O-CB 3.3Å; S70-Y74 WeakPolarHBondContact O-CB 3.4Å; S70-Y74 PolarHBondContact O-N 2.97Å; L71-Y74 WeakPolarHBondContact O-CB 3.49Å; L71-Y74 PolarHBondContact O-N 3.11Å; M72-Y74 VanDerWaalsContact C-N 3.3Å; M72-Y74 PolarHBondContact O-N 3.45Å; Y74-S77 WeakPolarHBondContact CA-OG 3.27Å; Y74-S77 PolarHBondContact O-N 3.43Å; Y74-S77 PolarHBondContact O-OG 3.11Å; Y74-R78 HydrophobicContact CE1-CG 4.45Å; Y74-R78 HydrophobicContact CE2-CG 4.29Å; Y74-R78 VanDerWaalsContact CZ-CD 3.49Å; Y74-R78 WeakPolarHBondContact O-CB 3.15Å; Y74-R78 WeakPolarHBondContact O-CG 3.43Å; Y74-R78 PolarHBondContact O-N 2.72Å
75Q65.3Low63Low97 Ų9776.5 Ų76.545%0.45343%0.43SS..Hα-helixtrans-65.5-41.2174.1-75-176.1-2.500111.8L71 M72 R78 S79 F84L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.66Å; M72-Q75 PolarHBondContact O-N 3.44Å; Q75-R78 PolarHBondContact O-N 3.32Å; Q75-S79 WeakPolarHBondContact O-CB 3.34Å; Q75-S79 PolarHBondContact O-N 3.22Å; Q75-S79 PolarHBondContact O-OG 2.88Å; Q75-F84 HydrophobicContact CB-CE2 4.49Å
76R64.6Low61.7Low129 Ų12978.8 Ų78.849%0.48745%0.451SS..Hα-helixtrans-62.6-44.7174.1-77.4-177.8-173.1152.41.2111.7M72 N73 R78 S79 A80M72-R76 WeakPolarHBondContact O-CB 3.35Å; M72-R76 WeakPolarHBondContact O-CG 3.42Å; M72-R76 PolarHBondContact O-N 2.79Å; N73-R76 PolarHBondContact O-N 2.77Å; R76-R78 VanDerWaalsContact C-N 3.32Å; R76-R78 PolarHBondContact O-N 3.19Å; R76-S79 WeakPolarHBondContact CA-OG 3.33Å; R76-S79 CarbonylContact O-C 3.54Å; R76-S79 PolarHBondContact O-N 2.66Å; R76-S79 VanDerWaalsContact O-N 3.11Å; R76-S79 PolarHBondContact O-OG 3.11Å; R76-A80 WeakPolarHBondContact O-CB 3.31Å; R76-A80 PolarHBondContact O-N 2.84Å
77S62.7Low60.5Low77 Ų7785 Ų8554%0.53847%0.469SS..Hα-helixtrans-65.9-36.7178.367.90000111.9N73 Y74 S79N73-S77 WeakPolarHBondContact O-CB 3.25Å; N73-S77 PolarHBondContact O-N 2.95Å; N73-S77 PolarHBondContact O-OG 3.15Å; Y74-S77 WeakPolarHBondContact CA-OG 3.27Å; Y74-S77 PolarHBondContact O-N 3.43Å; Y74-S77 PolarHBondContact O-OG 3.11Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 2.91Å
78R61.4Low59.2Low178 Ų17885.6 Ų85.667%0.67248%0.475SS*.Hα-helixtrans-67.8-27.1171.9-78.2-170.865.7179.23.1114Y74 Q75 R76Y74-R78 HydrophobicContact CE1-CG 4.45Å; Y74-R78 HydrophobicContact CE2-CG 4.29Å; Y74-R78 VanDerWaalsContact CZ-CD 3.49Å; Y74-R78 WeakPolarHBondContact O-CB 3.15Å; Y74-R78 WeakPolarHBondContact O-CG 3.43Å; Y74-R78 PolarHBondContact O-N 2.72Å; Q75-R78 PolarHBondContact O-N 3.32Å; R76-R78 VanDerWaalsContact C-N 3.32Å; R76-R78 PolarHBondContact O-N 3.19Å
79S53.6Low57.9Low20 Ų2092.1 Ų92.114%0.1450%0.496CS..Hα-helixtrans-102.8-3.3-178.7560000114.3Q75 R76 S77 G81 A82Q75-S79 WeakPolarHBondContact O-CB 3.34Å; Q75-S79 PolarHBondContact O-N 3.22Å; Q75-S79 PolarHBondContact O-OG 2.88Å; R76-S79 WeakPolarHBondContact CA-OG 3.33Å; R76-S79 CarbonylContact O-C 3.54Å; R76-S79 PolarHBondContact O-N 2.66Å; R76-S79 VanDerWaalsContact O-N 3.11Å; R76-S79 PolarHBondContact O-OG 3.11Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 2.91Å; S79-G81 PolarHBondContact O-N 3.41Å; S79-G81 VanDerWaalsContact O-N 3.11Å; S79-A82 WeakPolarHBondContact CA-O 3.43Å; S79-A82 VanDerWaalsContact CB-O 3.31Å; S79-A82 WeakPolarHBondContact CB-O 3.48Å; S79-A82 CarbonylContact O-C 3.5Å; S79-A82 PolarHBondContact O-N 3.22Å
80A54.1Low56.3Low91 Ų9199.1 Ų99.175%0.75253%0.526SS*.THydrogen-bonded Turntrans-62.2-1416900000112.1R76R76-A80 WeakPolarHBondContact O-CB 3.31Å; R76-A80 PolarHBondContact O-N 2.84Å
81G49.2Very low54.7Low79 Ų79100.3 Ų100.381%0.81453%0.532SS*.THydrogen-bonded Turntrans-104.6-1166.300000115.5S79S79-G81 PolarHBondContact O-N 3.41Å; S79-G81 VanDerWaalsContact O-N 3.11Å
82A44.6Very low53.5Low36 Ų36102.5 Ų102.530%0.29855%0.551SS.*SBendtrans-158.6100.2-177.900000110.8S79 F84S79-A82 WeakPolarHBondContact CA-O 3.43Å; S79-A82 VanDerWaalsContact CB-O 3.31Å; S79-A82 WeakPolarHBondContact CB-O 3.48Å; S79-A82 CarbonylContact O-C 3.5Å; S79-A82 PolarHBondContact O-N 3.22Å; A82-F84 PolarHBondContact O-N 2.71Å
83S47.8Very low52.4Low80 Ų80108.6 Ų108.656%0.55958%0.584SS**  trans-22.292.2173.959.10000115.2A85 A86S83-A85 PolarHBondContact O-N 2.75Å; S83-A86 PolarHBondContact O-N 2.85Å; S83-A86 VanDerWaalsContact O-N 3.09Å; S83-A86 VanDerWaalsContact OG-CB 3.32Å; S83-A86 WeakPolarHBondContact OG-CB 3.32Å
84F44.6Very low51.2Low90 Ų90110 Ų11040%0.39560%0.595SS.*Hα-helixtrans-60.7-34.2175.4-160.2-112.9000111.6Q75 A82 A86 R87 L88Q75-F84 HydrophobicContact CB-CE2 4.49Å; A82-F84 PolarHBondContact O-N 2.71Å; F84-A86 PolarHBondContact O-N 3.05Å; F84-R87 PolarHBondContact O-N 3.09Å; F84-L88 HydrophobicContact CD1-CD1 3.8Å; F84-L88 HydrophobicContact CE1-CD1 3.38Å; F84-L88 HydrophobicContact CE1-CG 4.5Å; F84-L88 HydrophobicContact CZ-CD1 4.01Å
85A45.9Very low50.2Low75 Ų75107.4 Ų107.462%0.6261%0.609SS**Hα-helixtrans-60-26.4176.300000113S83 W89S83-A85 PolarHBondContact O-N 2.75Å; A85-W89 VanDerWaalsContact O-CD1 3.29Å
86A44.4Very low49.3Very low61 Ų61111 Ų11150%0.50463%0.625SS.*Hα-helixtrans-82.9-20.3-179.600000113.8S83 F84S83-A86 PolarHBondContact O-N 2.85Å; S83-A86 VanDerWaalsContact O-N 3.09Å; S83-A86 VanDerWaalsContact OG-CB 3.32Å; S83-A86 WeakPolarHBondContact OG-CB 3.32Å; F84-A86 PolarHBondContact O-N 3.05Å
87R48.2Very low48.4Very low185 Ų185110 Ų11070%0.69864%0.636SS**Hα-helixtrans-91.6-25.5-177.7-67.1-173.9-153.3-134.61.1113.7F84F84-R87 PolarHBondContact O-N 3.09Å
88L48.7Very low47.6Very low127 Ų127115.8 Ų115.867%0.66565%0.654SS**THydrogen-bonded Turntrans-85.1-12.5177.5-77.8166000113.6F84F84-L88 HydrophobicContact CD1-CD1 3.8Å; F84-L88 HydrophobicContact CE1-CD1 3.38Å; F84-L88 HydrophobicContact CE1-CG 4.5Å; F84-L88 HydrophobicContact CZ-CD1 4.01Å
89W47.7Very low47.3Very low205 Ų205112 Ų11278%0.77765%0.651SS**THydrogen-bonded Turntrans-95.99.8176.5-84.884.4000114.3A85 P91A85-W89 VanDerWaalsContact O-CD1 3.29Å; W89-P91 WeakPolarHBondContact O-CD 2.93Å
90K40.4Very low47.3Very low173 Ų173117.2 Ų117.275%0.75268%0.677SS**  trans-76.1106162.2-88.7-164.7174.6-165.80107.7
91P43.4Very low47.2Very low89 Ų89120.8 Ų120.858%0.57868%0.678SS**  trans-53.8142.6164.124.1-32.6000108W89 N93W89-P91 WeakPolarHBondContact O-CD 2.93Å; P91-N93 PolarHBondContact O-N 2.97Å
92P46.9Very low47.3Very low120 Ų120120.1 Ų120.178%0.77966%0.661SS**SBendtrans-56.211617324.4-30.9000107T94P92-T94 PolarHBondContact O-N 2.78Å
93N47.6Very low47.3Very low162 Ų162124.4 Ų124.487%0.86669%0.686SS**  trans-18.188.5178.2-84.6-23.7000113.3P91 G95P91-N93 PolarHBondContact O-N 2.97Å; N93-G95 PolarHBondContact O-N 3.03Å
94T45.2Very low47.6Very low104 Ų104129.4 Ų129.464%0.63870%0.697SS**  trans-81.175.716442.90000106.8P92 Q96P92-T94 PolarHBondContact O-N 2.78Å; T94-Q96 PolarHBondContact O-N 3.07Å
95G48.2Very low47.4Very low77 Ų77128.2 Ų128.279%0.79471%0.711SS**SBendtrans3528.6153.500000120.9N93N93-G95 PolarHBondContact O-N 3.03Å
96Q46.9Very low47.2Very low172 Ų172133.2 Ų133.280%0.80473%0.725SS**  trans-104.5126.4178.6-81.9-169.4-106.700110.1T94 E98T94-Q96 PolarHBondContact O-N 3.07Å; Q96-E98 PolarHBondContact O-N 3.43Å
97P45Very low47.4Very low110 Ų110141.6 Ų141.671%0.71476%0.76SS**  trans-64.3133.5175.526.6-31.3000109.5V99P97-V99 PolarHBondContact O-N 2.67Å
98E46.7Very low47.4Very low197 Ų197139.5 Ų139.592%0.92176%0.763SS**  trans-57.9107.2169.3-165.5171.413100108Q96 D100Q96-E98 PolarHBondContact O-N 3.43Å; E98-D100 PolarHBondContact O-N 3.05Å
99V54.8Low47.3Very low100 Ų100140.1 Ų140.161%0.60677%0.769SS**  trans-77.3106.6173-178.80000106.9P97 H101P97-V99 PolarHBondContact O-N 2.67Å; V99-H101 VanDerWaalsContact CG1-CE1 3.45Å; V99-H101 WeakPolarHBondContact CG1-CE1 3.45Å; V99-H101 PolarHBondContact O-N 2.87Å
100D53.5Low47.3Very low128 Ų128136.5 Ų136.568%0.68477%0.768SS**  trans-65.597.8172.5-172.911.4000109.4E98 S102E98-D100 PolarHBondContact O-N 3.05Å; D100-S102 PolarHBondContact O-N 3.19Å; D100-S102 WeakPolarHBondContact OD1-CB 3.35Å; D100-S102 PolarHBondContact OD1-N 3.34Å
101H51.6Low47.7Very low166 Ų166134.4 Ų134.477%0.76977%0.769SS**  trans-90.856.3167.8-69.7-55000110V99 P103V99-H101 VanDerWaalsContact CG1-CE1 3.45Å; V99-H101 WeakPolarHBondContact CG1-CE1 3.45Å; V99-H101 PolarHBondContact O-N 2.87Å; H101-P103 WeakPolarHBondContact O-CD 3.42Å
102S51.1Low48Very low65 Ų65137.2 Ų137.246%0.45578%0.781SS.*  trans-77.7118.9165.5-155.60000109.3D100 K104D100-S102 PolarHBondContact O-N 3.19Å; D100-S102 WeakPolarHBondContact OD1-CB 3.35Å; D100-S102 PolarHBondContact OD1-N 3.34Å; S102-K104 PolarHBondContact O-N 3.01Å
103P45.6Very low48.1Very low126 Ų126138.3 Ų138.382%0.81878%0.781SS**  trans-75.979.7171.532.1-30.2000107.8H101 G105H101-P103 WeakPolarHBondContact O-CD 3.42Å; P103-G105 VanDerWaalsContact C-N 3.34Å; P103-G105 PolarHBondContact O-N 3.25Å
104K52.6Low48.1Very low185 Ų185136.6 Ų136.680%0.80478%0.775SS**  trans-77.393.6168.8-81.3-177.5178.5171.30108.7S102S102-K104 PolarHBondContact O-N 3.01Å
105G41.9Very low48.3Very low66 Ų66139.2 Ų139.268%0.6879%0.786SS**  trans38.3105.1142.400000117.2P103 L107P103-G105 VanDerWaalsContact C-N 3.34Å; P103-G105 PolarHBondContact O-N 3.25Å; G105-L107 PolarHBondContact O-N 3.27Å
106I40.2Very low48.3Very low179 Ų179144.3 Ų144.392%0.91879%0.785SS**  trans-66.7108.8151-61.1167000106.5
107L49.9Very low48.4Very low238 Ų238141.8 Ų141.8100%1.24678%0.783SS**  trans-148.10157.8-112.3161.1000107.8G105G105-L107 PolarHBondContact O-N 3.27Å

Retrieved 107 of 107 residues in 189.4 ms (Link to these results)