A0A077ZRD2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZRD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 132 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
1M58.1Low68.3Low227 Ų227118.1 Ų118.1100%1.11862%0.621SS**  0-39.60-144.8107158.100112.7E3M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.45Å
2A66.3Low69.3Low77 Ų77111.3 Ų111.364%0.63660%0.6SS**Hα-helixtrans-70.4-11.1-175.600000116.8
3E65.6Low70.4Confident148 Ų148110.5 Ų110.569%0.69260%0.596SS**Hα-helixtrans-91-28.1-175.1-159.9150-138.900113.6M1 R6M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.45Å; E3-R6 IonicContact OE1-NH2 3.02Å
4A67.4Low71.4Confident65 Ų65109.3 Ų109.354%0.53759%0.589SS.*Hα-helixtrans-70.9-37.2174.400000111.8K7 N8A4-K7 PolarHBondContact O-N 3Å; A4-N8 PolarHBondContact O-N 2.61Å; A4-N8 PolarHBondContact O-ND2 2.69Å
5D69.1Low72.6Confident104 Ų104108.3 Ų108.356%0.55658%0.584SS**Hα-helixtrans-64.2-46.9-178.4-146.628.6000111.7K7 N8 D9D5-K7 PolarHBondContact O-N 2.72Å; D5-N8 PolarHBondContact O-N 2.69Å; D5-N8 VanDerWaalsContact O-N 3.14Å; D5-D9 PolarHBondContact O-N 3.02Å; D5-D9 VanDerWaalsContact O-N 3.07Å
6R69.6Low73.7Confident163 Ų163107.1 Ų107.162%0.61558%0.581SS**Hα-helixtrans-59.3-30.9176.1-68.8-170.4-66.9166.82.6113.6E3 A10E3-R6 IonicContact OE1-NH2 3.02Å; R6-A10 WeakPolarHBondContact O-CB 3.45Å; R6-A10 PolarHBondContact O-N 3.01Å
7K69.2Low74.7Confident147 Ų147105.3 Ų105.364%0.63957%0.574SS**Hα-helixtrans-74.4-39.8179.1-167.5177.9177.4-176.30111.3A4 D5 A10 E11A4-K7 PolarHBondContact O-N 3Å; D5-K7 PolarHBondContact O-N 2.72Å; K7-A10 PolarHBondContact O-N 2.72Å; K7-E11 WeakPolarHBondContact O-CB 3.47Å; K7-E11 PolarHBondContact O-N 2.96Å
8N68.8Low75.8Confident99 Ų99104.6 Ų104.653%0.52957%0.568SS.*Hα-helixtrans-65.3-42.1176.2-63.9-32.8000111.5A4 D5 E11 G12A4-N8 PolarHBondContact O-N 2.61Å; A4-N8 PolarHBondContact O-ND2 2.69Å; D5-N8 PolarHBondContact O-N 2.69Å; D5-N8 VanDerWaalsContact O-N 3.14Å; N8-E11 PolarHBondContact O-N 3.35Å; N8-G12 PolarHBondContact O-N 3.13Å
9D72.2Confident76.7Confident111 Ų111106.4 Ų106.459%0.59457%0.572SS**Hα-helixtrans-62.3-43.4176-71.4-23000111.9D5 G12 N13D5-D9 PolarHBondContact O-N 3.02Å; D5-D9 VanDerWaalsContact O-N 3.07Å; D9-G12 PolarHBondContact O-N 3.35Å; D9-N13 WeakPolarHBondContact O-CB 2.89Å; D9-N13 PolarHBondContact O-N 3.18Å
10A72.5Confident77.6Confident49 Ų49104 Ų10441%0.40557%0.568SS.*Hα-helixtrans-65-41.5177.600000112.1R6 K7 N13 N14R6-A10 WeakPolarHBondContact O-CB 3.45Å; R6-A10 PolarHBondContact O-N 3.01Å; K7-A10 PolarHBondContact O-N 2.72Å; A10-N13 PolarHBondContact O-N 3.31Å; A10-N14 WeakPolarHBondContact O-CB 3.42Å; A10-N14 PolarHBondContact O-N 3.29Å; A10-N14 PolarHBondContact O-ND2 3.35Å; A10-N14 VanDerWaalsContact O-ND2 3.15Å
11E72.6Confident78.5Confident109 Ų109102.8 Ų102.851%0.50956%0.564SS.*Hα-helixtrans-67-40177.2-168166.3-178.600111.8K7 N8 N14 N15K7-E11 WeakPolarHBondContact O-CB 3.47Å; K7-E11 PolarHBondContact O-N 2.96Å; N8-E11 PolarHBondContact O-N 3.35Å; E11-N14 PolarHBondContact O-N 3.16Å; E11-N15 PolarHBondContact O-N 3.19Å; E11-N15 PolarHBondContact O-ND2 2.85Å
12G79.9Confident80.3Confident36 Ų3696.5 Ų96.537%0.37154%0.535SS..Hα-helixtrans-60.3-46.8172.400000112.6N8 D9 N14 N15 V16N8-G12 PolarHBondContact O-N 3.13Å; D9-G12 PolarHBondContact O-N 3.35Å; G12-N14 PolarHBondContact O-N 3.26Å; G12-N15 PolarHBondContact O-N 2.64Å; G12-V16 WeakPolarHBondContact O-CG2 3.26Å; G12-V16 PolarHBondContact O-N 3.24Å; G12-V16 VanDerWaalsContact O-N 3.13Å
13N83.4Confident81.7Confident101 Ų10199 Ų9954%0.5453%0.533SS..Hα-helixtrans-63.9-40.9177.6-171.241.3000112.2D9 A10 N15 V16 V17D9-N13 WeakPolarHBondContact O-CB 2.89Å; D9-N13 PolarHBondContact O-N 3.18Å; A10-N13 PolarHBondContact O-N 3.31Å; N13-N15 VanDerWaalsContact C-N 3.33Å; N13-N15 PolarHBondContact O-N 2.9Å; N13-V16 PolarHBondContact O-N 3.2Å; N13-V17 WeakPolarHBondContact O-CG2 3.42Å; N13-V17 PolarHBondContact O-N 2.92Å
14N85.1Confident83.2Confident94 Ų9497.1 Ų97.150%0.50353%0.527SS..Hα-helixtrans-61.5-41.4176.5-70.2-25.8000111.9A10 E11 G12 V17 I18A10-N14 WeakPolarHBondContact O-CB 3.42Å; A10-N14 PolarHBondContact O-N 3.29Å; A10-N14 PolarHBondContact O-ND2 3.35Å; A10-N14 VanDerWaalsContact O-ND2 3.15Å; E11-N14 PolarHBondContact O-N 3.16Å; G12-N14 PolarHBondContact O-N 3.26Å; N14-V17 PolarHBondContact O-N 2.92Å; N14-I18 WeakPolarHBondContact O-CB 3.49Å; N14-I18 WeakPolarHBondContact O-CD1 3.45Å; N14-I18 WeakPolarHBondContact O-CG1 3.38Å; N14-I18 PolarHBondContact O-N 2.94Å
15N89.2Confident84.6Confident95 Ų9597.5 Ų97.551%0.50852%0.523SS..Hα-helixtrans-63.6-42.2177-71.5-27.7000112.1E11 G12 N13 I18 E19E11-N15 PolarHBondContact O-N 3.19Å; E11-N15 PolarHBondContact O-ND2 2.85Å; G12-N15 PolarHBondContact O-N 2.64Å; N13-N15 VanDerWaalsContact C-N 3.33Å; N13-N15 PolarHBondContact O-N 2.9Å; N15-I18 PolarHBondContact O-N 2.82Å; N15-E19 WeakPolarHBondContact O-CB 2.99Å; N15-E19 PolarHBondContact O-N 3.03Å
16V90.2Very high85.9Confident89 Ų8997.1 Ų97.154%0.53952%0.524SS..Hα-helixtrans-62.8-42.7175.9173.80000111.3G12 N13 E19 A20G12-V16 WeakPolarHBondContact O-CG2 3.26Å; G12-V16 PolarHBondContact O-N 3.24Å; G12-V16 VanDerWaalsContact O-N 3.13Å; N13-V16 PolarHBondContact O-N 3.2Å; V16-E19 PolarHBondContact O-N 3.27Å; V16-A20 WeakPolarHBondContact O-CB 3.47Å; V16-A20 PolarHBondContact O-N 3.34Å
17V91.6Very high87.3Confident76 Ų7694.6 Ų94.646%0.46152%0.52SS..Hα-helixtrans-63.6-44.3176.6172.50000110.9N13 N14 E19 A20 V21N13-V17 WeakPolarHBondContact O-CG2 3.42Å; N13-V17 PolarHBondContact O-N 2.92Å; N14-V17 PolarHBondContact O-N 2.92Å; V17-E19 VanDerWaalsContact C-N 3.34Å; V17-E19 PolarHBondContact O-N 2.93Å; V17-A20 PolarHBondContact O-N 2.8Å; V17-V21 HydrophobicContact CG1-CG2 4.4Å; V17-V21 WeakPolarHBondContact O-CB 3.42Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.15Å
18I93.2Very high88.6Confident93 Ų9392.4 Ų92.448%0.47751%0.514SS..Hα-helixtrans-61.6-42.7177.4-69.4164.3000110.8N14 N15 V21 N22N14-I18 WeakPolarHBondContact O-CB 3.49Å; N14-I18 WeakPolarHBondContact O-CD1 3.45Å; N14-I18 WeakPolarHBondContact O-CG1 3.38Å; N14-I18 PolarHBondContact O-N 2.94Å; N15-I18 PolarHBondContact O-N 2.82Å; I18-V21 PolarHBondContact O-N 2.85Å; I18-N22 WeakPolarHBondContact O-CB 3.5Å; I18-N22 VanDerWaalsContact O-CG 3.25Å; I18-N22 PolarHBondContact O-N 2.95Å; I18-N22 PolarHBondContact O-ND2 2.82Å
19E94Very high89.9Confident138 Ų13891.4 Ų91.465%0.64551%0.512SS*.Hα-helixtrans-63.7-45.2176.9-171.1178.7-179.300112N15 V16 V17 V21 N22 H23N15-E19 WeakPolarHBondContact O-CB 2.99Å; N15-E19 PolarHBondContact O-N 3.03Å; V16-E19 PolarHBondContact O-N 3.27Å; V17-E19 VanDerWaalsContact C-N 3.34Å; V17-E19 PolarHBondContact O-N 2.93Å; E19-V21 PolarHBondContact O-N 3.35Å; E19-N22 PolarHBondContact O-N 3.26Å; E19-H23 WeakPolarHBondContact O-CB 3.45Å; E19-H23 PolarHBondContact O-N 3.02Å
20A94.2Very high91.1Very high59 Ų5989.1 Ų89.149%0.48851%0.508SS..Hα-helixtrans-62.1-42.4177.100000112.2V16 V17 H23 L24V16-A20 WeakPolarHBondContact O-CB 3.47Å; V16-A20 PolarHBondContact O-N 3.34Å; V17-A20 PolarHBondContact O-N 2.8Å; A20-H23 PolarHBondContact O-N 2.81Å; A20-L24 WeakPolarHBondContact O-CB 3.46Å; A20-L24 PolarHBondContact O-N 2.97Å
21V95.7Very high92.3Very high79 Ų7990 Ų9048%0.47951%0.511SS..Hα-helixtrans-64.4-43.3175.9170.10000110.9V17 I18 E19 L24 T25V17-V21 HydrophobicContact CG1-CG2 4.4Å; V17-V21 WeakPolarHBondContact O-CB 3.42Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.15Å; I18-V21 PolarHBondContact O-N 2.85Å; E19-V21 PolarHBondContact O-N 3.35Å; V21-L24 PolarHBondContact O-N 3.01Å; V21-T25 VanDerWaalsContact O-CB 3.3Å; V21-T25 WeakPolarHBondContact O-CB 3.43Å; V21-T25 PolarHBondContact O-N 3.05Å; V21-T25 PolarHBondContact O-OG1 3.13Å
22N95.8Very high93.5Very high94 Ų9488.8 Ų88.850%0.50351%0.508SS..Hα-helixtrans-64.2-41.4176.6-76.4-20.4000111.9I18 E19 T25 T26I18-N22 WeakPolarHBondContact O-CB 3.5Å; I18-N22 VanDerWaalsContact O-CG 3.25Å; I18-N22 PolarHBondContact O-N 2.95Å; I18-N22 PolarHBondContact O-ND2 2.82Å; E19-N22 PolarHBondContact O-N 3.26Å; N22-T25 PolarHBondContact O-N 3.32Å; N22-T26 WeakPolarHBondContact O-CB 3Å; N22-T26 PolarHBondContact O-N 2.93Å; N22-T26 PolarHBondContact O-OG1 2.85Å
23H96.9Very high94.3Very high129 Ų12990.4 Ų90.460%0.59751%0.511SS*.Hα-helixtrans-62.5-48.6176.5-174.169.7000111.5E19 A20 T25 T26 Q27E19-H23 WeakPolarHBondContact O-CB 3.45Å; E19-H23 PolarHBondContact O-N 3.02Å; A20-H23 PolarHBondContact O-N 2.81Å; H23-T25 VanDerWaalsContact C-N 3.34Å; H23-T25 PolarHBondContact O-N 3.01Å; H23-T26 WeakPolarHBondContact O-CB 3.49Å; H23-T26 PolarHBondContact O-N 2.99Å; H23-Q27 WeakPolarHBondContact O-CB 3.46Å; H23-Q27 PolarHBondContact O-N 3.02Å
24L96.8Very high94.9Very high109 Ų10994.7 Ų94.757%0.57152%0.521SS*.Hα-helixtrans-60.2-44.2176.5178.561.2000111.6A20 V21 T26 Q27 L28A20-L24 WeakPolarHBondContact O-CB 3.46Å; A20-L24 PolarHBondContact O-N 2.97Å; V21-L24 PolarHBondContact O-N 3.01Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 3.23Å; L24-Q27 PolarHBondContact O-N 2.81Å; L24-L28 WeakPolarHBondContact O-CB 3.28Å; L24-L28 PolarHBondContact O-N 3.22Å
25T96.4Very high95.4Very high74 Ų7495.1 Ų95.145%0.45452%0.523SS..Hα-helixtrans-60.7-42.5177.8-58.60000111.1V21 N22 H23 T29V21-T25 VanDerWaalsContact O-CB 3.3Å; V21-T25 WeakPolarHBondContact O-CB 3.43Å; V21-T25 PolarHBondContact O-N 3.05Å; V21-T25 PolarHBondContact O-OG1 3.13Å; N22-T25 PolarHBondContact O-N 3.32Å; H23-T25 VanDerWaalsContact C-N 3.34Å; H23-T25 PolarHBondContact O-N 3.01Å; T25-T29 WeakPolarHBondContact O-CB 3.37Å; T25-T29 PolarHBondContact O-N 2.88Å; T25-T29 PolarHBondContact O-OG1 3.27Å
26T97Very high95.8Very high95 Ų9594.6 Ų94.658%0.58352%0.519SS*.Hα-helixtrans-63.9-46.5176.9-57.30000111.1N22 H23 L24 T29 A30N22-T26 WeakPolarHBondContact O-CB 3Å; N22-T26 PolarHBondContact O-N 2.93Å; N22-T26 PolarHBondContact O-OG1 2.85Å; H23-T26 WeakPolarHBondContact O-CB 3.49Å; H23-T26 PolarHBondContact O-N 2.99Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 3.23Å; T26-T29 PolarHBondContact O-N 3.42Å; T26-A30 WeakPolarHBondContact O-CB 3.35Å; T26-A30 PolarHBondContact O-N 3.42Å
27Q97.8Very high96Very high111 Ų11193.8 Ų93.852%0.51951%0.511SS..Hα-helixtrans-64.1-43.4179.8-169.6-179.417.300112.1H23 L24 A30 S31H23-Q27 WeakPolarHBondContact O-CB 3.46Å; H23-Q27 PolarHBondContact O-N 3.02Å; L24-Q27 PolarHBondContact O-N 2.81Å; Q27-A30 PolarHBondContact O-N 2.74Å; Q27-S31 WeakPolarHBondContact O-CB 3.41Å; Q27-S31 PolarHBondContact O-N 3.38Å; Q27-S31 PolarHBondContact O-OG 2.88Å
28L97.5Very high96.2Very high100 Ų10091.8 Ų91.852%0.52451%0.507SS..Hα-helixtrans-63.2-45.5176.1-177.762.2000111L24 A30 S31 L32L24-L28 WeakPolarHBondContact O-CB 3.28Å; L24-L28 PolarHBondContact O-N 3.22Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.03Å; L28-S31 PolarHBondContact O-N 2.68Å; L28-L32 HydrophobicContact CD1-CD1 4.06Å; L28-L32 HydrophobicContact CD1-CG 4.1Å; L28-L32 HydrophobicContact CG-CD1 3.93Å; L28-L32 HydrophobicContact CG-CG 4.36Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 2.93Å
29T96.9Very high96.2Very high79 Ų7992 Ų9249%0.48551%0.508SS..Hα-helixtrans-59.4-45.8178.1-58.50000111.4T25 T26 S31 T33T25-T29 WeakPolarHBondContact O-CB 3.37Å; T25-T29 PolarHBondContact O-N 2.88Å; T25-T29 PolarHBondContact O-OG1 3.27Å; T26-T29 PolarHBondContact O-N 3.42Å; T29-S31 PolarHBondContact O-N 3.31Å; T29-T33 WeakPolarHBondContact O-CB 3.21Å; T29-T33 PolarHBondContact O-N 3.45Å; T29-T33 PolarHBondContact O-OG1 3.14Å
30A97Very high96.2Very high62 Ų6293.4 Ų93.451%0.51251%0.507SS..Hα-helixtrans-61.9-43.3176.900000112T26 Q27 L28 T33 Y34T26-A30 WeakPolarHBondContact O-CB 3.35Å; T26-A30 PolarHBondContact O-N 3.42Å; Q27-A30 PolarHBondContact O-N 2.74Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.03Å; A30-T33 PolarHBondContact O-N 2.89Å; A30-Y34 WeakPolarHBondContact O-CB 3.35Å; A30-Y34 PolarHBondContact O-N 3.36Å
31S97.2Very high96.1Very high67 Ų6798.1 Ų98.147%0.46952%0.517SS..Hα-helixtrans-65.7-44.3-179-56.20000111.9Q27 L28 T29 Y34 L35Q27-S31 WeakPolarHBondContact O-CB 3.41Å; Q27-S31 PolarHBondContact O-N 3.38Å; Q27-S31 PolarHBondContact O-OG 2.88Å; L28-S31 PolarHBondContact O-N 2.68Å; T29-S31 PolarHBondContact O-N 3.31Å; S31-Y34 PolarHBondContact O-N 3.05Å; S31-L35 PolarHBondContact O-N 2.94Å
32L97.3Very high95.8Very high85 Ų85100.7 Ų100.745%0.44552%0.524SS..Hα-helixtrans-66.6-41176.7-68.7175.6000111.7L28 Y34 L35 I36L28-L32 HydrophobicContact CD1-CD1 4.06Å; L28-L32 HydrophobicContact CD1-CG 4.1Å; L28-L32 HydrophobicContact CG-CD1 3.93Å; L28-L32 HydrophobicContact CG-CG 4.36Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 2.93Å; L32-Y34 VanDerWaalsContact C-N 3.35Å; L32-Y34 PolarHBondContact O-N 3.46Å; L32-L35 PolarHBondContact O-N 3.42Å; L32-I36 WeakPolarHBondContact O-CB 3.48Å; L32-I36 WeakPolarHBondContact O-CD1 3.48Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.31Å; L32-I36 PolarHBondContact O-N 2.98Å
33T96.6Very high95.5Very high69 Ų69101.2 Ų101.242%0.42353%0.526SS..Hα-helixtrans-59.9-46.6176.2-56.90000110.8T29 A30 L35 I36 D37T29-T33 WeakPolarHBondContact O-CB 3.21Å; T29-T33 PolarHBondContact O-N 3.45Å; T29-T33 PolarHBondContact O-OG1 3.14Å; A30-T33 PolarHBondContact O-N 2.89Å; T33-L35 PolarHBondContact O-N 2.97Å; T33-I36 PolarHBondContact O-N 3.26Å; T33-D37 WeakPolarHBondContact O-CB 3.45Å; T33-D37 PolarHBondContact O-N 3.22Å
34Y96.6Very high95Very high191 Ų19197.6 Ų97.675%0.74952%0.518SS*.Hα-helixtrans-60.6-44.7177.5-178.6-96.8000112.5A30 S31 L32 D37 G38A30-Y34 WeakPolarHBondContact O-CB 3.35Å; A30-Y34 PolarHBondContact O-N 3.36Å; S31-Y34 PolarHBondContact O-N 3.05Å; L32-Y34 VanDerWaalsContact C-N 3.35Å; L32-Y34 PolarHBondContact O-N 3.46Å; Y34-D37 PolarHBondContact O-N 3.02Å; Y34-G38 PolarHBondContact O-N 2.99Å
35L96.6Very high94.5Very high104 Ų10495.2 Ų95.255%0.54551%0.514SS..Hα-helixtrans-63.4-45.3178.4-178.662.9000111.7S31 L32 T33 D37 G38 L39S31-L35 PolarHBondContact O-N 2.94Å; L32-L35 PolarHBondContact O-N 3.42Å; T33-L35 PolarHBondContact O-N 2.97Å; L35-D37 PolarHBondContact O-N 3.34Å; L35-G38 PolarHBondContact O-N 3.14Å; L35-L39 HydrophobicContact CG-CD1 4.28Å; L35-L39 WeakPolarHBondContact O-CG 3.22Å; L35-L39 PolarHBondContact O-N 3.27Å
36I96.4Very high93.7Very high84 Ų8494.3 Ų94.343%0.43151%0.514SS..Hα-helixtrans-63.7-42.2179.3-69165.4000110.8L32 T33 G38 L39 R40L32-I36 WeakPolarHBondContact O-CB 3.48Å; L32-I36 WeakPolarHBondContact O-CD1 3.48Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.31Å; L32-I36 PolarHBondContact O-N 2.98Å; T33-I36 PolarHBondContact O-N 3.26Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-L39 PolarHBondContact O-N 3.44Å; I36-R40 HydrophobicContact CG2-CG 4.49Å; I36-R40 WeakPolarHBondContact O-CB 3.43Å; I36-R40 VanDerWaalsContact O-CG 3.28Å; I36-R40 WeakPolarHBondContact O-CG 3.28Å; I36-R40 PolarHBondContact O-N 2.96Å
37D95.2Very high92.7Very high71 Ų7198.7 Ų98.738%0.3852%0.52SS..Hα-helixtrans-66.3-36.7176.6-79.8-16000112.3T33 Y34 L35 R40 K41T33-D37 WeakPolarHBondContact O-CB 3.45Å; T33-D37 PolarHBondContact O-N 3.22Å; Y34-D37 PolarHBondContact O-N 3.02Å; L35-D37 PolarHBondContact O-N 3.34Å; D37-R40 PolarHBondContact O-N 3.49Å; D37-K41 WeakPolarHBondContact O-CG 3.49Å; D37-K41 PolarHBondContact O-N 3.37Å
38G94.5Very high91.4Very high35 Ų3597.3 Ų97.336%0.36152%0.523SS..Hα-helixtrans-58.9-52.9171.900000111.9Y34 L35 I36 R40 K41 E42Y34-G38 PolarHBondContact O-N 2.99Å; L35-G38 PolarHBondContact O-N 3.14Å; I36-G38 VanDerWaalsContact C-N 3.34Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.27Å; G38-K41 PolarHBondContact O-N 2.96Å; G38-K41 VanDerWaalsContact O-N 3.14Å; G38-E42 PolarHBondContact O-N 2.81Å
39L94.3Very high89.9Confident97 Ų97100.1 Ų100.151%0.50853%0.533SS..Hα-helixtrans-61.1-38.1178.4-68.4171.9000112.4L35 I36 E42 L43L35-L39 HydrophobicContact CG-CD1 4.28Å; L35-L39 WeakPolarHBondContact O-CG 3.22Å; L35-L39 PolarHBondContact O-N 3.27Å; I36-L39 PolarHBondContact O-N 3.44Å; L39-E42 PolarHBondContact O-N 3.49Å; L39-L43 VanDerWaalsContact O-CB 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 PolarHBondContact O-N 3.39Å
40R93.2Very high88Confident167 Ų167101 Ų10163%0.6354%0.542SS*.Hα-helixtrans-63.8-41175.4-77.9173.7170.6-174-3112.3I36 D37 G38 A44I36-R40 HydrophobicContact CG2-CG 4.49Å; I36-R40 WeakPolarHBondContact O-CB 3.43Å; I36-R40 VanDerWaalsContact O-CG 3.28Å; I36-R40 WeakPolarHBondContact O-CG 3.28Å; I36-R40 PolarHBondContact O-N 2.96Å; D37-R40 PolarHBondContact O-N 3.49Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.27Å; R40-A44 WeakPolarHBondContact O-CB 3.45Å; R40-A44 PolarHBondContact O-N 3.35Å
41K92.1Very high86Confident159 Ų159109 Ų10969%0.69156%0.559SS**Hα-helixtrans-68.1-42.8176.6-73.9172.9-178.1174.80111.5D37 G38 A44 A45D37-K41 WeakPolarHBondContact O-CG 3.49Å; D37-K41 PolarHBondContact O-N 3.37Å; G38-K41 PolarHBondContact O-N 2.96Å; G38-K41 VanDerWaalsContact O-N 3.14Å; K41-A44 PolarHBondContact O-N 2.94Å; K41-A45 WeakPolarHBondContact O-CB 3.48Å; K41-A45 PolarHBondContact O-N 3.07Å
42E89.8Confident83.6Confident133 Ų133114.1 Ų114.162%0.62158%0.576SS**Hα-helixtrans-62.7-43.7176.7-170174.9177.800111.4G38 L39 A44 A45 A46G38-E42 PolarHBondContact O-N 2.81Å; L39-E42 PolarHBondContact O-N 3.49Å; E42-A44 VanDerWaalsContact C-N 3.34Å; E42-A44 PolarHBondContact O-N 3.23Å; E42-A45 WeakPolarHBondContact O-CB 3.19Å; E42-A45 PolarHBondContact O-N 3.49Å; E42-A46 WeakPolarHBondContact O-CB 3.36Å; E42-A46 PolarHBondContact O-N 3.27Å
43L90.1Very high80.9Confident105 Ų105117.5 Ų117.555%0.5559%0.593SS.*Hα-helixtrans-62.5-39.2174.5-177.663.8000112.4L39 R47L39-L43 VanDerWaalsContact O-CB 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 PolarHBondContact O-N 3.39Å; L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 WeakPolarHBondContact O-CG 3.32Å; L43-R47 PolarHBondContact O-N 3.39Å
44A86.8Confident78.2Confident53 Ų53119.4 Ų119.444%0.43861%0.607SS.*Hα-helixtrans-68.3-37.3175.600000112.3R40 K41 E42 S48R40-A44 WeakPolarHBondContact O-CB 3.45Å; R40-A44 PolarHBondContact O-N 3.35Å; K41-A44 PolarHBondContact O-N 2.94Å; E42-A44 VanDerWaalsContact C-N 3.34Å; E42-A44 PolarHBondContact O-N 3.23Å; A44-S48 WeakPolarHBondContact O-CB 3.47Å; A44-S48 PolarHBondContact O-N 3.23Å; A44-S48 PolarHBondContact O-OG 3.14Å
45A84.6Confident75.7Confident58 Ų58116.4 Ų116.448%0.47961%0.611SS.*Hα-helixtrans-64.2-50174.100000110.9K41 E42 R47 S48 E49K41-A45 WeakPolarHBondContact O-CB 3.48Å; K41-A45 PolarHBondContact O-N 3.07Å; E42-A45 WeakPolarHBondContact O-CB 3.19Å; E42-A45 PolarHBondContact O-N 3.49Å; A45-R47 VanDerWaalsContact C-N 3.3Å; A45-R47 PolarHBondContact O-N 2.99Å; A45-S48 PolarHBondContact O-N 3.38Å; A45-E49 PolarHBondContact O-N 3.32Å
46A80.4Confident72.9Confident55 Ų55121.7 Ų121.746%0.45563%0.63SS.*Hα-helixtrans-59.1-38.9177.300000112.6E42 S50E42-A46 WeakPolarHBondContact O-CB 3.36Å; E42-A46 PolarHBondContact O-N 3.27Å; A46-S50 PolarHBondContact O-N 2.98Å
47R75.1Confident69.9Low188 Ų188125.4 Ų125.471%0.70965%0.645SS**Hα-helixtrans-67.5-32.9174-83.5-174.5172.5-167.9-1.4113.6L43 A45L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 WeakPolarHBondContact O-CG 3.32Å; L43-R47 PolarHBondContact O-N 3.39Å; A45-R47 VanDerWaalsContact C-N 3.3Å; A45-R47 PolarHBondContact O-N 2.99Å
48S72.5Confident67Low82 Ų82127.8 Ų127.857%0.57366%0.658SS**Hα-helixtrans-73.9-40.7179.2-58.10000110.8A44 A45 S50 R51A44-S48 WeakPolarHBondContact O-CB 3.47Å; A44-S48 PolarHBondContact O-N 3.23Å; A44-S48 PolarHBondContact O-OG 3.14Å; A45-S48 PolarHBondContact O-N 3.38Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3Å; S48-R51 PolarHBondContact O-N 2.85Å; S48-R51 VanDerWaalsContact O-N 3.13Å
49E65.2Low64.1Low159 Ų159132.7 Ų132.774%0.74368%0.676SS**Hα-helixtrans-63.2-31.6177.4-154.6169-170.500112.3A45 R51A45-E49 PolarHBondContact O-N 3.32Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.32Å
50S57.7Low61.2Low96 Ų96134 Ų13467%0.67169%0.688SS**G310 helixtrans-67.3-23175.1177.50000114.3A46 S48A46-S50 PolarHBondContact O-N 2.98Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3Å
51R54.1Low58.5Low232 Ų232131.1 Ų131.188%0.87569%0.694SS**G310 helixtrans-91.9-2.5-170.4-156.1170.5173.4171.6-1.7114.7S48 E49S48-R51 PolarHBondContact O-N 2.85Å; S48-R51 VanDerWaalsContact O-N 3.13Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.32Å
52E47.4Very low55.6Low174 Ų174130 Ų13081%0.81370%0.7SS**G310 helixtrans-94.46.8-177.1-144.5174.3163.600114.9
53L39.8Very low52.8Low155 Ų155128.4 Ų128.481%0.81270%0.703SS**PPolyproline II helixtrans-97.1123.5174.8-74.5167.9000112.8
54P39.9Very low50Low110 Ų110131 Ų13171%0.71472%0.717SS**PPolyproline II helixtrans-80.5156.3177.231.7-32.7000113.1
55P43.9Very low47.4Very low128 Ų128134.8 Ų134.883%0.83174%0.735SS**PPolyproline II helixtrans-80.1123.4-172.531-33.1000112.2
56K38.5Very low45.3Very low215 Ų215139.2 Ų139.294%0.93575%0.75SS**  trans-98.5100.3169.6-124.7-177.4-178.2-1780110.4
57Q33Very low43.7Very low162 Ų162146.2 Ų146.276%0.75777%0.773SS**  trans-69.9150165.7-141.8-177.4-90.600110.4
58N33.7Very low41.9Very low121 Ų121141.5 Ų141.565%0.64777%0.774SS**  trans116.5120.1148.3-58.9-14.9000118.8
59D34.4Very low39.8Very low137 Ų137146.4 Ų146.473%0.73379%0.788SS**  trans88.697.4137.2-58.5-27.6000122.1
60T34.2Very low38.5Very low125 Ų125143 Ų14377%0.76778%0.779SS**  37.6109.6115.9-45.60000118.3
61S34.6Very low37.7Very low107 Ų107144.2 Ų144.275%0.74879%0.785SS**  -173.9113.1127.4-81.10000112.1
62V33.1Very low36.9Very low135 Ų135138.1 Ų138.182%0.81878%0.778SS**  82.1126113.4-1760000117.1
63S29.4Very low36.5Very low99 Ų99136.1 Ų136.169%0.69278%0.778SS**  trans-27.5137.2165.2-56.50000117.2
64N31.5Very low36.5Very low159 Ų159134.3 Ų134.385%0.8577%0.773SS**  -162.9129.2110.4-95-15.9000112.4I66N64-I66 PolarHBondContact O-N 3.47Å
65T32.3Very low36.5Very low133 Ų133132.4 Ų132.482%0.81677%0.767SS**  trans-36.5120.2154.9-58.40000112.7
66I41.6Very low36.5Very low152 Ų152130.3 Ų130.378%0.77976%0.76SS**  -172.8112.3127.4-83.5148.2000105.4N64 A68N64-I66 PolarHBondContact O-N 3.47Å; I66-A68 PolarHBondContact O-N 3.34Å
67E45.6Very low36.8Very low201 Ų201127.8 Ų127.894%0.93976%0.755SS**  trans-61.994.1172.1-78.9172.1125.900109.9
68A38.4Very low37.5Very low89 Ų89121.6 Ų121.674%0.73674%0.735SS**  trans167.982.3156.300000109.3I66I66-A68 PolarHBondContact O-N 3.34Å
69Q28.6Very low38.6Very low185 Ų185119.4 Ų119.486%0.86473%0.729SS**SBendtrans-142.5145.4151.7-120.7-162.9-83.200106.9
70P36.9Very low39.8Very low87 Ų87118.7 Ų118.757%0.56573%0.73SS**  trans-60159.6-163.230.3-35.1000109.6S72P70-S72 PolarHBondContact O-N 3.06Å
71P40.3Very low41.2Very low123 Ų123117.2 Ų117.280%0.79972%0.717SS**  trans-51.399.7174.621.6-31.4000107.7T73P71-T73 PolarHBondContact O-N 3.48Å
72S36.9Very low42.6Very low104 Ų104116.1 Ų116.173%0.72770%0.703SS**  trans-56.5117.3173.11790000102.4P70 V74P70-S72 PolarHBondContact O-N 3.06Å; S72-V74 VanDerWaalsContact C-N 3.28Å; S72-V74 WeakPolarHBondContact O-CA 3.47Å; S72-V74 PolarHBondContact O-N 2.98Å
73T39.8Very low44.1Very low131 Ų131119 Ų11980%0.80470%0.699SS**  trans-10.792.2170.5-57.60000108.2P71 A75P71-T73 PolarHBondContact O-N 3.48Å; T73-A75 PolarHBondContact O-N 3.44Å
74V40.5Very low45.3Very low117 Ų117118.2 Ų118.271%0.70969%0.686SS**  trans-57.9109.3178.3174.30000101.1S72 A76S72-V74 VanDerWaalsContact C-N 3.28Å; S72-V74 WeakPolarHBondContact O-CA 3.47Å; S72-V74 PolarHBondContact O-N 2.98Å; V74-A76 PolarHBondContact O-N 2.9Å
75A40.1Very low46.8Very low71 Ų71114.9 Ų114.959%0.58768%0.675SS**  trans-55.797.9166.300000102.1T73 I77T73-A75 PolarHBondContact O-N 3.44Å; A75-I77 HydrophobicContact CB-CD1 4.28Å; A75-I77 HydrophobicContact CB-CG1 4.15Å; A75-I77 PolarHBondContact O-N 3.19Å
76A43Very low47.9Very low84 Ų84111.5 Ų111.569%0.69467%0.667SS**  trans-71.372.6-179.300000105.3V74V74-A76 PolarHBondContact O-N 2.9Å
77I44.8Very low48.5Very low162 Ų162108.6 Ų108.683%0.83166%0.656SS**  trans-79.3-5.3163.3-53.2176.2000107.9A75A75-I77 HydrophobicContact CB-CD1 4.28Å; A75-I77 HydrophobicContact CB-CG1 4.15Å; A75-I77 PolarHBondContact O-N 3.19Å
78G46.9Very low48.8Very low32 Ų32104.7 Ų104.733%0.3364%0.642SS.*SBendtrans-79.4151.2164.400000112.5D82G78-D82 VanDerWaalsContact C-OD2 3.31Å; G78-D82 WeakPolarHBondContact CA-OD2 3.5Å
79S57.4Low49.4Very low75 Ų75109.6 Ų109.652%0.52465%0.651SS.*  trans-54.3153.2173.7-174.10000110.1D81 D82S79-D81 PolarHBondContact O-N 2.7Å; S79-D82 PolarHBondContact N-OD2 3.49Å; S79-D82 WeakPolarHBondContact O-CB 3.36Å; S79-D82 PolarHBondContact O-N 2.99Å
80V60.3Low50.5Low122 Ų122106.4 Ų106.474%0.73965%0.649SS**THydrogen-bonded Turntrans-50.7-20.7177.5167.90000113W83V80-W83 PolarHBondContact O-NE1 2.94Å
81D63.1Low51Low94 Ų94106.8 Ų106.850%0.50365%0.65SS.*THydrogen-bonded Turntrans-96.8-4.5-178.1-54-62.7000114.6S79 W83 I84 S85S79-D81 PolarHBondContact O-N 2.7Å; D81-W83 PolarHBondContact O-N 3.22Å; D81-I84 WeakPolarHBondContact O-CA 3.4Å; D81-I84 WeakPolarHBondContact O-CB 3.33Å; D81-I84 PolarHBondContact O-N 2.9Å; D81-S85 PolarHBondContact O-N 2.74Å
82D63Low51.1Low84 Ų84107.7 Ų107.745%0.44965%0.648SS.*Hα-helixtrans-65.1-30.7-173.9-75-5.8000111.9G78 S79 I84 S85 G86G78-D82 VanDerWaalsContact C-OD2 3.31Å; G78-D82 WeakPolarHBondContact CA-OD2 3.5Å; S79-D82 PolarHBondContact N-OD2 3.49Å; S79-D82 WeakPolarHBondContact O-CB 3.36Å; S79-D82 PolarHBondContact O-N 2.99Å; D82-I84 PolarHBondContact O-N 3.41Å; D82-S85 WeakPolarHBondContact CA-OG 3.39Å; D82-S85 PolarHBondContact O-N 2.96Å; D82-S85 PolarHBondContact O-OG 3.43Å; D82-G86 PolarHBondContact O-N 2.73Å
83W65.5Low51.6Low196 Ų196110.2 Ų110.274%0.74265%0.652SS**Hα-helixtrans-66.7-24.4173.574.4-87000113.3V80 D81V80-W83 PolarHBondContact O-NE1 2.94Å; D81-W83 PolarHBondContact O-N 3.22Å
84I54.6Low51.9Low82 Ų82108.7 Ų108.742%0.42165%0.647SS.*Hα-helixtrans-84.6-35.2175.6-52177.4000109.8D81 D82 G86 V87D81-I84 WeakPolarHBondContact O-CA 3.4Å; D81-I84 WeakPolarHBondContact O-CB 3.33Å; D81-I84 PolarHBondContact O-N 2.9Å; D82-I84 PolarHBondContact O-N 3.41Å; I84-G86 PolarHBondContact O-N 3.36Å; I84-V87 HydrophobicContact CG2-CG2 4.46Å; I84-V87 WeakPolarHBondContact O-CG2 3.48Å; I84-V87 PolarHBondContact O-N 3.46Å
85S62.8Low52.1Low89 Ų89107.5 Ų107.562%0.62264%0.644SS**Hα-helixtrans-66.6-23.4-179.872.30000113.6D81 D82D81-S85 PolarHBondContact O-N 2.74Å; D82-S85 WeakPolarHBondContact CA-OG 3.39Å; D82-S85 PolarHBondContact O-N 2.96Å; D82-S85 PolarHBondContact O-OG 3.43Å
86G55.4Low52.5Low62 Ų62109 Ų10964%0.63965%0.648SS**THydrogen-bonded Turntrans-80.4-8.6176.700000115.3D82 I84 D88D82-G86 PolarHBondContact O-N 2.73Å; I84-G86 PolarHBondContact O-N 3.36Å; G86-D88 PolarHBondContact O-N 2.76Å; G86-D88 VanDerWaalsContact O-N 3.15Å
87V55.4Low53.1Low90 Ų90109.6 Ų109.655%0.54564%0.644SS.*  trans-84.787174.1-68.70000109.8I84 M89I84-V87 HydrophobicContact CG2-CG2 4.46Å; I84-V87 WeakPolarHBondContact O-CG2 3.48Å; I84-V87 PolarHBondContact O-N 3.46Å; V87-M89 PolarHBondContact O-N 2.96Å
88D50.5Low53.5Low120 Ų120107 Ų10764%0.64264%0.636SS**  trans-56.1102.3162.8-85.5-30.8000108.2G86 S90 T91G86-D88 PolarHBondContact O-N 2.76Å; G86-D88 VanDerWaalsContact O-N 3.15Å; D88-S90 PolarHBondContact O-N 2.91Å; D88-T91 PolarHBondContact O-N 3.23Å; D88-T91 PolarHBondContact O-OG1 2.92Å
89M52.1Low53.8Low191 Ų191109.6 Ų109.694%0.94165%0.647SS**THydrogen-bonded Turntrans-57.7-3.8177.7-79.3-146.618000113.9V87V87-M89 PolarHBondContact O-N 2.96Å
90S50.9Low54Low118 Ų118108 Ų10883%0.82564%0.638SS**THydrogen-bonded Turntrans-87.9-9.8175.4-58.60000113.3D88 N92D88-S90 PolarHBondContact O-N 2.91Å; S90-N92 PolarHBondContact O-N 3.28Å
91T47.5Very low54.2Low95 Ų95106 Ų10658%0.58363%0.63SS**SBendtrans-75.797.2170.848.40000108.5D88 I93D88-T91 PolarHBondContact O-N 3.23Å; D88-T91 PolarHBondContact O-OG1 2.92Å; T91-I93 VanDerWaalsContact C-N 3.34Å; T91-I93 PolarHBondContact O-N 3.44Å
92N42.1Very low54.4Low142 Ų142108.7 Ų108.776%0.75963%0.633SS**  trans-43.2101.6162.7-175.5-1.7000108S90 S94S90-N92 PolarHBondContact O-N 3.28Å; N92-S94 PolarHBondContact O-N 3.42Å
93I48.5Very low54.5Low157 Ų157107 Ų10781%0.80562%0.623SS**SBendtrans-70.250.1176.943.1166.8000110.2T91T91-I93 VanDerWaalsContact C-N 3.34Å; T91-I93 PolarHBondContact O-N 3.44Å
94S44.4Very low54.5Low99 Ų99100.3 Ų100.369%0.69261%0.61SS**  trans-91.344.9149.9-162.70000107.8N92N92-S94 PolarHBondContact O-N 3.42Å
95S45.9Very low55.3Low93 Ų93102.8 Ų102.865%0.6562%0.624SS**  trans-75.8124.3163.6-72.80000106.2
96P49.2Very low55.5Low102 Ų102106.3 Ų106.366%0.66263%0.629SS**  trans-56.6145.7-179.222.7-31.5000109.6V98P96-V98 PolarHBondContact O-N 3.42Å
97P54.1Low56.1Low96 Ų96105 Ų10562%0.62361%0.612SS**  trans-61100.8-174.624.7-32.3000108.1P99P97-P99 WeakPolarHBondContact O-CD 3.3Å
98V54Low56.4Low109 Ų109106.2 Ų106.266%0.66162%0.622SS**  trans-80.2102.7169.2-179.20000104.5P96 A100 Q114P96-V98 PolarHBondContact O-N 3.42Å; V98-A100 PolarHBondContact O-N 2.87Å; V98-Q114 PolarHBondContact O-NE2 2.89Å
99P52.8Low57.3Low86 Ų86105.4 Ų105.456%0.55863%0.631SS**  trans-56.8130.6170.925.3-32.6000106.5P97 S101P97-P99 WeakPolarHBondContact O-CD 3.3Å; P99-S101 PolarHBondContact O-N 2.71Å; P99-S101 PolarHBondContact O-OG 2.84Å
100A61.4Low57.9Low40 Ų40100.5 Ų100.533%0.33161%0.612SS.*  trans-55.388.1179.400000109V98 W102 L103V98-A100 PolarHBondContact O-N 2.87Å; A100-W102 PolarHBondContact O-N 3.4Å; A100-L103 HydrophobicContact CB-CB 4.32Å; A100-L103 HydrophobicContact CB-CD1 3.55Å; A100-L103 HydrophobicContact CB-CG 4.09Å; A100-L103 WeakPolarHBondContact O-CB 3.4Å; A100-L103 PolarHBondContact O-N 3.46Å
101S64.4Low58.7Low81 Ų81102.7 Ų102.757%0.56661%0.606SS**Hα-helixtrans-67.4-26.7-168.1-540000110.1P99 L103 A104P99-S101 PolarHBondContact O-N 2.71Å; P99-S101 PolarHBondContact O-OG 2.84Å; S101-L103 VanDerWaalsContact C-N 3.27Å; S101-L103 PolarHBondContact O-N 3.37Å; S101-A104 VanDerWaalsContact O-CB 3.26Å; S101-A104 WeakPolarHBondContact O-CB 3.4Å; S101-A104 PolarHBondContact O-N 2.93Å; S101-A104 VanDerWaalsContact O-N 3.16Å
102W67.3Low59.8Low151 Ų151102.5 Ų102.557%0.57260%0.601SS**Hα-helixtrans-62.6-27.617272-93.9000113.6A100 A104 D105 F106A100-W102 PolarHBondContact O-N 3.4Å; W102-A104 VanDerWaalsContact C-N 3.29Å; W102-D105 WeakPolarHBondContact O-CB 3.37Å; W102-D105 PolarHBondContact O-N 2.94Å; W102-F106 AromaticContact CE3-CD2 3.97Å; W102-F106 HydrophobicContact CE3-CD2 3.97Å; W102-F106 HydrophobicContact CE3-CE2 4.09Å; W102-F106 HydrophobicContact CZ3-CD2 4.22Å; W102-F106 HydrophobicContact CZ3-CE2 4.41Å; W102-F106 WeakPolarHBondContact O-CD2 3.28Å
103L65.5Low61.1Low47 Ų47101.6 Ų101.625%0.24659%0.592CS.*Hα-helixtrans-73.2-26.1176.7-77.6163.4000111.8A100 S101 D105 F106 A107 I112A100-L103 HydrophobicContact CB-CB 4.32Å; A100-L103 HydrophobicContact CB-CD1 3.55Å; A100-L103 HydrophobicContact CB-CG 4.09Å; A100-L103 WeakPolarHBondContact O-CB 3.4Å; A100-L103 PolarHBondContact O-N 3.46Å; S101-L103 VanDerWaalsContact C-N 3.27Å; S101-L103 PolarHBondContact O-N 3.37Å; L103-D105 PolarHBondContact O-N 2.94Å; L103-F106 PolarHBondContact O-N 3.45Å; L103-A107 PolarHBondContact O-N 3.35Å; L103-I112 HydrophobicContact CB-CD1 3.76Å; L103-I112 HydrophobicContact CD1-CD1 3.26Å; L103-I112 HydrophobicContact CD2-CD1 4.18Å; L103-I112 HydrophobicContact CG-CD1 3.89Å
104A65.9Low62.2Low57 Ų5799.5 Ų99.547%0.47158%0.579SS.*Hα-helixtrans-61.8-29.2173.700000111.7S101 W102 P108S101-A104 VanDerWaalsContact O-CB 3.26Å; S101-A104 WeakPolarHBondContact O-CB 3.4Å; S101-A104 PolarHBondContact O-N 2.93Å; S101-A104 VanDerWaalsContact O-N 3.16Å; W102-A104 VanDerWaalsContact C-N 3.29Å; A104-P108 WeakPolarHBondContact O-CA 3.47Å; A104-P108 WeakPolarHBondContact O-CG 3.46Å
105D70.6Confident63.8Low134 Ų13498.3 Ų98.372%0.71756%0.562SS**Hα-helixtrans-71.5-31.6177.7-60.4-33.5000112.5W102 L103W102-D105 WeakPolarHBondContact O-CB 3.37Å; W102-D105 PolarHBondContact O-N 2.94Å; L103-D105 PolarHBondContact O-N 2.94Å
106F67.8Low65.4Low163 Ų16399 Ų9972%0.71556%0.558SS**Hα-helixtrans-91.8-34.2-177.9-74.5-83.3000113.5W102 L103W102-F106 AromaticContact CE3-CD2 3.97Å; W102-F106 HydrophobicContact CE3-CD2 3.97Å; W102-F106 HydrophobicContact CE3-CE2 4.09Å; W102-F106 HydrophobicContact CZ3-CD2 4.22Å; W102-F106 HydrophobicContact CZ3-CE2 4.41Å; W102-F106 WeakPolarHBondContact O-CD2 3.28Å; L103-F106 PolarHBondContact O-N 3.45Å
107A66.6Low67.1Low34 Ų3495.9 Ų95.928%0.28155%0.545SS..  trans-142.175.6-177.400000110.5L103 A109 V110L103-A107 PolarHBondContact O-N 3.35Å; A107-A109 PolarHBondContact O-N 2.93Å; A107-V110 HydrophobicContact CB-CB 3.86Å; A107-V110 HydrophobicContact CB-CG2 3.59Å; A107-V110 PolarHBondContact O-N 3.28Å
108P62.5Low68.5Low116 Ų11693.9 Ų93.975%0.75353%0.529SS*.THydrogen-bonded Turntrans-57.2-26.3-176.5-22.329.8000113.7A104A104-P108 WeakPolarHBondContact O-CA 3.47Å; A104-P108 WeakPolarHBondContact O-CG 3.46Å
109A69.9Low70Confident102 Ų10293.4 Ų93.484%0.84353%0.528SS*.THydrogen-bonded Turntrans-86.9-10.3-179.700000114A107 K111A107-A109 PolarHBondContact O-N 2.93Å; A109-K111 PolarHBondContact O-N 2.92Å
110V64.8Low71.6Confident88 Ų8896.3 Ų96.353%0.53354%0.538SS..  trans-90.8106.3-176.8-179.50000109A107 I112A107-V110 HydrophobicContact CB-CB 3.86Å; A107-V110 HydrophobicContact CB-CG2 3.59Å; A107-V110 PolarHBondContact O-N 3.28Å; V110-I112 HydrophobicContact CG1-CD1 4.45Å; V110-I112 HydrophobicContact CG1-CG1 3.72Å; V110-I112 PolarHBondContact O-N 3.47Å; V110-I112 VanDerWaalsContact O-N 3.13Å
111K67.7Low72.7Confident164 Ų16498 Ų9871%0.71354%0.539SS*.  trans-73.4100.3167-169.9-171.5-175.7-1590108.3A109 E113A109-K111 PolarHBondContact O-N 2.92Å; K111-E113 HydrophobicContact CD-CG 4.36Å; K111-E113 WeakPolarHBondContact CE-OE1 3.42Å; K111-E113 HydrophobicContact CG-CG 4.42Å; K111-E113 IonicContact NZ-OE1 2.68Å; K111-E113 PolarHBondContact NZ-OE1 3.47Å; K111-E113 PolarHBondContact O-N 3.38Å
112I69.1Low73.9Confident92 Ų92100.6 Ų100.647%0.47254%0.536SS..  trans-85.1104.1171.9-56.6179.1000107.4L103 V110L103-I112 HydrophobicContact CB-CD1 3.76Å; L103-I112 HydrophobicContact CD1-CD1 3.26Å; L103-I112 HydrophobicContact CD2-CD1 4.18Å; L103-I112 HydrophobicContact CG-CD1 3.89Å; V110-I112 HydrophobicContact CG1-CD1 4.45Å; V110-I112 HydrophobicContact CG1-CG1 3.72Å; V110-I112 PolarHBondContact O-N 3.47Å; V110-I112 VanDerWaalsContact O-N 3.13Å
113E70.1Confident74.8Confident122 Ų122100 Ų10057%0.5755%0.545SS*.  trans-79.7127.6167.3-74.5-173.2166.700109.2K111K111-E113 HydrophobicContact CD-CG 4.36Å; K111-E113 WeakPolarHBondContact CE-OE1 3.42Å; K111-E113 HydrophobicContact CG-CG 4.42Å; K111-E113 IonicContact NZ-OE1 2.68Å; K111-E113 PolarHBondContact NZ-OE1 3.47Å; K111-E113 PolarHBondContact O-N 3.38Å
114Q71.2Confident75.8Confident113 Ų113104.5 Ų104.553%0.52857%0.566SS.*  trans-70.3137.4174.7-69.8-175.6-7.300109.6V98V98-Q114 PolarHBondContact O-NE2 2.89Å
115F79.5Confident76.7Confident75 Ų75105.7 Ų105.733%0.32956%0.561SS.*  trans-106.6125.4175-175.8-125000109.3G117 H121 W122 F125F115-G117 PolarHBondContact O-N 3.33Å; F115-H121 HydrophobicContact CE2-CB 3.89Å; F115-W122 AromaticContact CE1-CD1 3.95Å; F115-W122 AromaticContact CE1-NE1 3.85Å; F115-W122 AromaticContact CZ-CD1 3.27Å; F115-W122 HydrophobicContact CZ-CG 4.03Å; F115-W122 AromaticContact CZ-NE1 3.65Å; F115-F125 HydrophobicContact CB-CD2 3.81Å; F115-F125 HydrophobicContact CB-CE2 3.86Å; F115-F125 HydrophobicContact CD1-CD1 4.41Å; F115-F125 HydrophobicContact CD1-CD2 4.15Å; F115-F125 HydrophobicContact CD1-CE2 4.29Å; F115-F125 HydrophobicContact CD1-CG 4.21Å; F115-F125 HydrophobicContact CD1-CZ 4.49Å; F115-F125 HydrophobicContact CD2-CB 3.74Å; F115-F125 AromaticContact CD2-CD2 3.68Å; F115-F125 HydrophobicContact CD2-CD2 3.68Å; F115-F125 HydrophobicContact CD2-CE2 4.49Å; F115-F125 AromaticContact CD2-CG 3.79Å; F115-F125 HydrophobicContact CD2-CG 3.79Å; F115-F125 HydrophobicContact CE1-CD1 4.19Å; F115-F125 HydrophobicContact CE1-CG 4.18Å; F115-F125 HydrophobicContact CE2-CB 3.41Å; F115-F125 VanDerWaalsContact CE2-CB 3.41Å; F115-F125 HydrophobicContact CE2-CD1 4.49Å; F115-F125 HydrophobicContact CE2-CD2 4.17Å; F115-F125 AromaticContact CE2-CG 3.79Å; F115-F125 HydrophobicContact CE2-CG 3.79Å; F115-F125 HydrophobicContact CG-CB 4.42Å; F115-F125 AromaticContact CG-CD2 3.62Å; F115-F125 HydrophobicContact CG-CD2 3.62Å; F115-F125 AromaticContact CG-CE2 3.99Å; F115-F125 HydrophobicContact CG-CE2 3.99Å; F115-F125 AromaticContact CG-CG 3.97Å; F115-F125 HydrophobicContact CG-CG 3.97Å; F115-F125 HydrophobicContact CZ-CB 3.81Å; F115-F125 HydrophobicContact CZ-CD1 4.18Å; F115-F125 AromaticContact CZ-CG 3.93Å; F115-F125 HydrophobicContact CZ-CG 3.93Å
116D79.6Confident77.2Confident106 Ų106103.5 Ų103.557%0.56755%0.548SS*.  trans-77-3.5-178.465.7-8.6000113.2N118 H121D116-N118 VanDerWaalsContact CG-CB 3.49Å; D116-N118 PolarHBondContact O-N 3.3Å; D116-N118 WeakPolarHBondContact OD1-CB 3.48Å; D116-N118 PolarHBondContact OD1-N 3.31Å; D116-N118 WeakPolarHBondContact OD2-CB 3.42Å; D116-H121 IonicContact OD1-ND1 3.34Å; D116-H121 PolarHBondContact OD1-ND1 2.92Å; D116-H121 IonicContact OD2-CE1 3.53Å; D116-H121 PolarHBondContact OD2-CE1 3.13Å; D116-H121 IonicContact OD2-ND1 3.22Å; D116-H121 PolarHBondContact OD2-ND1 2.99Å
117G84.1Confident77.9Confident38 Ų3897.3 Ų97.339%0.39253%0.53SS..  trans741.1-176.600000113.8F115 P119 W122F115-G117 PolarHBondContact O-N 3.33Å; G117-P119 WeakPolarHBondContact O-CD 3.46Å; G117-W122 PolarHBondContact O-NE1 2.9Å; G117-W122 VanDerWaalsContact O-NE1 3.14Å
118N83.6Confident78.5Confident53 Ų5398.6 Ų98.628%0.28354%0.537SS..  trans-66.9120.6-175.7-178.8-14.5000110.4D116 L120 H121D116-N118 VanDerWaalsContact CG-CB 3.49Å; D116-N118 PolarHBondContact O-N 3.3Å; D116-N118 WeakPolarHBondContact OD1-CB 3.48Å; D116-N118 PolarHBondContact OD1-N 3.31Å; D116-N118 WeakPolarHBondContact OD2-CB 3.42Å; N118-L120 PolarHBondContact O-N 3.44Å; N118-L120 WeakPolarHBondContact OD1-CB 3.21Å; N118-L120 PolarHBondContact OD1-N 3.35Å; N118-H121 PolarHBondContact O-N 3.05Å
119P85.6Confident79.2Confident99 Ų9999.4 Ų99.464%0.64353%0.529SS*.G310 helixtrans-48-32.3178.4-30.437.2000114.9G117 H121 W122G117-P119 WeakPolarHBondContact O-CD 3.46Å; P119-H121 PolarHBondContact O-N 2.98Å; P119-W122 WeakPolarHBondContact O-CB 3.33Å; P119-W122 PolarHBondContact O-N 3.39Å
120L86.1Confident79.5Confident148 Ų148103.1 Ų103.178%0.77553%0.526SS*.G310 helixtrans-67.9-20.7178.7-64173.6000113.7N118N118-L120 PolarHBondContact O-N 3.44Å; N118-L120 WeakPolarHBondContact OD1-CB 3.21Å; N118-L120 PolarHBondContact OD1-N 3.35Å
121H85.2Confident79.5Confident75 Ų75104.3 Ų104.335%0.34754%0.539SS..G310 helixtrans-100.8-1.1-179.9-57.3150.7000113F115 D116 N118 P119 D123 M124 F125F115-H121 HydrophobicContact CE2-CB 3.89Å; D116-H121 IonicContact OD1-ND1 3.34Å; D116-H121 PolarHBondContact OD1-ND1 2.92Å; D116-H121 IonicContact OD2-CE1 3.53Å; D116-H121 PolarHBondContact OD2-CE1 3.13Å; D116-H121 IonicContact OD2-ND1 3.22Å; D116-H121 PolarHBondContact OD2-ND1 2.99Å; N118-H121 PolarHBondContact O-N 3.05Å; P119-H121 PolarHBondContact O-N 2.98Å; H121-D123 VanDerWaalsContact C-N 3.34Å; H121-D123 PolarHBondContact O-N 3.15Å; H121-M124 PolarHBondContact O-N 3.45Å; H121-F125 PolarHBondContact O-N 2.97Å
122W88.8Confident79Confident135 Ų135106.4 Ų106.451%0.51156%0.556SS.*Hα-helixtrans-61.1-41-176.2-79.235000112.2F115 G117 P119 M124 F125 I126F115-W122 AromaticContact CE1-CD1 3.95Å; F115-W122 AromaticContact CE1-NE1 3.85Å; F115-W122 AromaticContact CZ-CD1 3.27Å; F115-W122 HydrophobicContact CZ-CG 4.03Å; F115-W122 AromaticContact CZ-NE1 3.65Å; G117-W122 PolarHBondContact O-NE1 2.9Å; G117-W122 VanDerWaalsContact O-NE1 3.14Å; P119-W122 WeakPolarHBondContact O-CB 3.33Å; P119-W122 PolarHBondContact O-N 3.39Å; W122-M124 VanDerWaalsContact C-N 3.31Å; W122-M124 PolarHBondContact O-N 3.27Å; W122-F125 PolarHBondContact O-N 3.48Å; W122-I126 HydrophobicContact CB-CD1 4.47Å; W122-I126 WeakPolarHBondContact O-CB 3.48Å; W122-I126 WeakPolarHBondContact O-CG1 3.48Å; W122-I126 PolarHBondContact O-N 3.38Å
123D87Confident79.5Confident140 Ų140107.2 Ų107.275%0.74956%0.561SS**Hα-helixtrans-62.5-39.5179.4-72-31000112.2H121 G127H121-D123 VanDerWaalsContact C-N 3.34Å; H121-D123 PolarHBondContact O-N 3.15Å; D123-G127 PolarHBondContact O-N 3.07Å
124M86.1Confident80Confident141 Ų141106.4 Ų106.470%0.69556%0.56SS**Hα-helixtrans-66.4-47.7175.7-172.9-177-55.700110.8H121 W122 I126 G127 S128H121-M124 PolarHBondContact O-N 3.45Å; W122-M124 VanDerWaalsContact C-N 3.31Å; W122-M124 PolarHBondContact O-N 3.27Å; M124-I126 PolarHBondContact O-N 2.97Å; M124-G127 PolarHBondContact O-N 3.24Å; M124-S128 PolarHBondContact O-N 3.14Å; M124-S128 VanDerWaalsContact O-N 3.07Å; M124-S128 PolarHBondContact O-OG 3.18Å
125F84.1Confident80.5Confident82 Ų82106 Ų10636%0.3656%0.562SS.*Hα-helixtrans-59.9-46.3178.1175.5-99.4000112.4F115 H121 W122 G127 S128 F129F115-F125 HydrophobicContact CB-CD2 3.81Å; F115-F125 HydrophobicContact CB-CE2 3.86Å; F115-F125 HydrophobicContact CD1-CD1 4.41Å; F115-F125 HydrophobicContact CD1-CD2 4.15Å; F115-F125 HydrophobicContact CD1-CE2 4.29Å; F115-F125 HydrophobicContact CD1-CG 4.21Å; F115-F125 HydrophobicContact CD1-CZ 4.49Å; F115-F125 HydrophobicContact CD2-CB 3.74Å; F115-F125 AromaticContact CD2-CD2 3.68Å; F115-F125 HydrophobicContact CD2-CD2 3.68Å; F115-F125 HydrophobicContact CD2-CE2 4.49Å; F115-F125 AromaticContact CD2-CG 3.79Å; F115-F125 HydrophobicContact CD2-CG 3.79Å; F115-F125 HydrophobicContact CE1-CD1 4.19Å; F115-F125 HydrophobicContact CE1-CG 4.18Å; F115-F125 HydrophobicContact CE2-CB 3.41Å; F115-F125 VanDerWaalsContact CE2-CB 3.41Å; F115-F125 HydrophobicContact CE2-CD1 4.49Å; F115-F125 HydrophobicContact CE2-CD2 4.17Å; F115-F125 AromaticContact CE2-CG 3.79Å; F115-F125 HydrophobicContact CE2-CG 3.79Å; F115-F125 HydrophobicContact CG-CB 4.42Å; F115-F125 AromaticContact CG-CD2 3.62Å; F115-F125 HydrophobicContact CG-CD2 3.62Å; F115-F125 AromaticContact CG-CE2 3.99Å; F115-F125 HydrophobicContact CG-CE2 3.99Å; F115-F125 AromaticContact CG-CG 3.97Å; F115-F125 HydrophobicContact CG-CG 3.97Å; F115-F125 HydrophobicContact CZ-CB 3.81Å; F115-F125 HydrophobicContact CZ-CD1 4.18Å; F115-F125 AromaticContact CZ-CG 3.93Å; F115-F125 HydrophobicContact CZ-CG 3.93Å; H121-F125 PolarHBondContact O-N 2.97Å; W122-F125 PolarHBondContact O-N 3.48Å; F125-G127 VanDerWaalsContact C-N 3.32Å; F125-G127 PolarHBondContact O-N 3.45Å; F125-S128 WeakPolarHBondContact O-CB 3.4Å; F125-S128 PolarHBondContact O-N 3.42Å; F125-F129 HydrophobicContact CD1-CE2 4.38Å; F125-F129 AromaticContact CE1-CE2 3.9Å; F125-F129 HydrophobicContact CE1-CE2 3.9Å; F125-F129 HydrophobicContact CE2-CE2 4.15Å; F125-F129 AromaticContact CZ-CE2 3.78Å; F125-F129 HydrophobicContact CZ-CE2 3.78Å; F125-F129 HydrophobicContact CZ-CZ 4.15Å; F125-F129 VanDerWaalsContact O-CD2 3.31Å; F125-F129 WeakPolarHBondContact O-CD2 3.4Å
126I82.3Confident80.5Confident87 Ų87107.8 Ų107.845%0.44658%0.576SS.*Hα-helixtrans-65-38.9176.2-66.1166.2000110.3W122 M124 S128 F129W122-I126 HydrophobicContact CB-CD1 4.47Å; W122-I126 WeakPolarHBondContact O-CB 3.48Å; W122-I126 WeakPolarHBondContact O-CG1 3.48Å; W122-I126 PolarHBondContact O-N 3.38Å; M124-I126 PolarHBondContact O-N 2.97Å; I126-S128 VanDerWaalsContact C-N 3.3Å; I126-S128 PolarHBondContact O-N 3.18Å; I126-F129 PolarHBondContact O-N 3.27Å
127G81.9Confident80.6Confident34 Ų34107.9 Ų107.935%0.35158%0.576SS.*Hα-helixtrans-59.6-36177.100000113.6D123 M124 F125 F129 K130D123-G127 PolarHBondContact O-N 3.07Å; M124-G127 PolarHBondContact O-N 3.24Å; F125-G127 VanDerWaalsContact C-N 3.32Å; F125-G127 PolarHBondContact O-N 3.45Å; G127-F129 PolarHBondContact O-N 3.28Å; G127-F129 VanDerWaalsContact O-N 3.14Å; G127-K130 PolarHBondContact O-N 3.25Å
128S78.2Confident80.3Confident60 Ų60112.6 Ų112.642%0.4259%0.589SS.*Hα-helixtrans-57.9-27.6178.5-62.40000113.5M124 F125 I126M124-S128 PolarHBondContact O-N 3.14Å; M124-S128 VanDerWaalsContact O-N 3.07Å; M124-S128 PolarHBondContact O-OG 3.18Å; F125-S128 WeakPolarHBondContact O-CB 3.4Å; F125-S128 PolarHBondContact O-N 3.42Å; I126-S128 VanDerWaalsContact C-N 3.3Å; I126-S128 PolarHBondContact O-N 3.18Å
129F78.5Confident80.1Confident134 Ų134116.9 Ų116.959%0.58861%0.61SS**Hα-helixtrans-82.5-19176.8-65.3-84.6000114.1F125 I126 G127 S131F125-F129 HydrophobicContact CD1-CE2 4.38Å; F125-F129 AromaticContact CE1-CE2 3.9Å; F125-F129 HydrophobicContact CE1-CE2 3.9Å; F125-F129 HydrophobicContact CE2-CE2 4.15Å; F125-F129 AromaticContact CZ-CE2 3.78Å; F125-F129 HydrophobicContact CZ-CE2 3.78Å; F125-F129 HydrophobicContact CZ-CZ 4.15Å; F125-F129 VanDerWaalsContact O-CD2 3.31Å; F125-F129 WeakPolarHBondContact O-CD2 3.4Å; I126-F129 PolarHBondContact O-N 3.27Å; G127-F129 PolarHBondContact O-N 3.28Å; G127-F129 VanDerWaalsContact O-N 3.14Å; F129-S131 VanDerWaalsContact C-N 3.34Å
130K75.3Confident79.7Confident180 Ų180118.2 Ų118.278%0.78361%0.608SS**Hα-helixtrans-80.8-16.1179.2-74.5-173.7171.2-176.40113.4G127G127-K130 PolarHBondContact O-N 3.25Å
131S65.4Low79.1Confident113 Ų113115.8 Ų115.879%0.7959%0.594SS**THydrogen-bonded Turntrans-89.2-5.6-179-169.20000113.9F129F129-S131 VanDerWaalsContact C-N 3.34Å
132L56.7Low78.6Confident208 Ų208119.5 Ų119.5100%1.08962%0.616SS**  trans-88.40168.9-81.2108.5000110.8

Retrieved 132 of 132 residues in 142.6 ms (Link to these results)