A0A077Z0Y8_TRITR Loading...

Putative parathyroid hormone 2 receptor

AlphaFold DB , UniProt , Accession A0A077Z0Y8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 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
1M53.8Low58.3Low213 Ų213139.5 Ų139.5100%1.04969%0.686SS**  033.20-59.8-149.8-69.500113.1G3M1-G3 PolarHBondContact O-N 3.41Å
2L54.3Low57.7Low159 Ų159139.8 Ų139.883%0.83269%0.685SS**Hα-helixtrans-70-17.7177.6-96.8128000113.8E4L2-E4 PolarHBondContact O-N 3.47Å
3G65.6Low57.1Low44 Ų44141.2 Ų141.245%0.45469%0.689SS.*Hα-helixtrans-72.6-21-175.400000116.1M1 K7M1-G3 PolarHBondContact O-N 3.41Å; G3-K7 WeakPolarHBondContact O-CG 3.49Å; G3-K7 PolarHBondContact O-N 3.24Å
4E64.4Low56.7Low139 Ų139146.9 Ų146.965%0.6570%0.699SS**Hα-helixtrans-78.6-39178-74-173.7158.500112.3L2 E6 K7 L8L2-E4 PolarHBondContact O-N 3.47Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.43Å; E4-K7 PolarHBondContact O-N 2.89Å; E4-L8 PolarHBondContact O-N 3.35Å; E4-L8 VanDerWaalsContact O-N 3.12Å
5K55.8Low56.4Low171 Ų171146.3 Ų146.374%0.74370%0.701SS**Hα-helixtrans-63.5-36.4175.3-87.4-171.4172.2-177.10112.4K7 L8 L9K5-K7 VanDerWaalsContact C-N 3.34Å; K5-L8 PolarHBondContact O-N 3.16Å; K5-L9 PolarHBondContact O-N 3.01Å; K5-L9 VanDerWaalsContact O-N 3.08Å
6E62.8Low55.9Low121 Ų121146.2 Ų146.257%0.56570%0.704SS**Hα-helixtrans-70.1-31.8178-159.5-179.3170.900112.3E4 K10E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.43Å; E6-K10 WeakPolarHBondContact O-CG 3.34Å; E6-K10 PolarHBondContact O-N 3.17Å
7K61.3Low55.4Low163 Ų163143.2 Ų143.271%0.70970%0.699SS**Hα-helixtrans-68.6-38.1172.3-74.8-177.8-179.3-176.40112.4G3 E4 K5 K10 H11G3-K7 WeakPolarHBondContact O-CG 3.49Å; G3-K7 PolarHBondContact O-N 3.24Å; E4-K7 PolarHBondContact O-N 2.89Å; K5-K7 VanDerWaalsContact C-N 3.34Å; K7-K10 PolarHBondContact O-N 3.44Å; K7-H11 PolarHBondContact O-N 2.91Å
8L59.6Low55.2Low128 Ų128142.4 Ų142.467%0.6771%0.711SS**Hα-helixtrans-64.9-43.2175.5-100128.9000111.9E4 K5 K10 H11 E12E4-L8 PolarHBondContact O-N 3.35Å; E4-L8 VanDerWaalsContact O-N 3.12Å; K5-L8 PolarHBondContact O-N 3.16Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.32Å; L8-H11 PolarHBondContact O-N 3.3Å; L8-H11 VanDerWaalsContact O-N 3.1Å; L8-E12 PolarHBondContact O-N 3.39Å
9L57Low54.8Low126 Ų126138 Ų13866%0.6670%0.695SS**Hα-helixtrans-62.9-38177-116.889.1000112.4K5 H11 E12K5-L9 PolarHBondContact O-N 3.01Å; K5-L9 VanDerWaalsContact O-N 3.08Å; L9-H11 PolarHBondContact O-N 2.97Å; L9-E12 PolarHBondContact O-N 3.4Å
10K56.4Low54.8Low131 Ų131141.8 Ų141.857%0.5771%0.707SS**Hα-helixtrans-68-20.9176-74.1-176.7-179.8-179.90113.5E6 K7 L8E6-K10 WeakPolarHBondContact O-CG 3.34Å; E6-K10 PolarHBondContact O-N 3.17Å; K7-K10 PolarHBondContact O-N 3.44Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.32Å
11H50.7Low55.3Low139 Ų139138.7 Ų138.764%0.64470%0.695SS**Hα-helixtrans-82.6-25.3177.3-151.7-61.8000112.4K7 L8 L9 E13K7-H11 PolarHBondContact O-N 2.91Å; L8-H11 PolarHBondContact O-N 3.3Å; L8-H11 VanDerWaalsContact O-N 3.1Å; L9-H11 PolarHBondContact O-N 2.97Å; H11-E13 VanDerWaalsContact C-N 3.33Å
12E50.5Low56.3Low144 Ų144134.3 Ų134.367%0.67368%0.676SS**Hα-helixtrans-71.4-27.2176.1-108.9179.3163.700112.9L8 L9 W14 L15L8-E12 PolarHBondContact O-N 3.39Å; L9-E12 PolarHBondContact O-N 3.4Å; E12-W14 PolarHBondContact O-N 2.86Å; E12-L15 PolarHBondContact O-N 3.33Å
13E50.5Low57.6Low157 Ų157133 Ų13373%0.73467%0.67SS**G310 helixtrans-66.5-19.5-178.9-154.4170-161.800113.2H11H11-E13 VanDerWaalsContact C-N 3.33Å
14W50.8Low58.5Low221 Ų221131.7 Ų131.784%0.83766%0.656SS**G310 helixtrans-86.4-10.2-179.9-76.588.6000115.1E12E12-W14 PolarHBondContact O-N 2.86Å
15L52.2Low59.6Low139 Ų139129 Ų12973%0.72865%0.646SS**G310 helixtrans-104.28.9-173-81.5169.6000115E12 P17E12-L15 PolarHBondContact O-N 3.33Å; L15-P17 WeakPolarHBondContact O-CD 3.37Å
16L48.1Very low61.2Low144 Ų144123.4 Ų123.475%0.75463%0.631SS**  trans-87.897.2167.9-79.5155.9000109S18L16-S18 PolarHBondContact O-N 3.36Å
17P47.3Very low62.5Low95 Ų95120.6 Ų120.662%0.61763%0.625SS**  trans-58.4118.6169.123.1-31.3000108.2L15 S19L15-P17 WeakPolarHBondContact O-CD 3.37Å; P17-S19 PolarHBondContact O-N 3.5Å
18S51.7Low63.8Low129 Ų129117.7 Ų117.790%0.90262%0.615SS**SBendtrans-67.841.2177.6-179.80000112.9L16L16-S18 PolarHBondContact O-N 3.36Å
19S48.9Very low65.4Low59 Ų59118.9 Ų118.941%0.41361%0.611SS.*  trans-122.283174.659.50000109P17 T21P17-S19 PolarHBondContact O-N 3.5Å; S19-T21 PolarHBondContact O-N 3.4Å
20K53.8Low67.1Low214 Ų214115.2 Ų115.293%0.9360%0.599SS**  trans-69.642.5166.4-64.1-179.4178.2176.30111.6
21T64.8Low68.9Low76 Ų76112.9 Ų112.947%0.46659%0.592SS.*  trans-83.6148.516751.60000108.3S19 D23 G24 L25S19-T21 PolarHBondContact O-N 3.4Å; T21-D23 PolarHBondContact O-N 3.37Å; T21-D23 VanDerWaalsContact O-N 3.14Å; T21-G24 WeakPolarHBondContact O-CA 3.3Å; T21-G24 PolarHBondContact O-N 3.1Å; T21-L25 PolarHBondContact O-N 3.4Å
22D74.8Confident71Confident122 Ų122115.2 Ų115.265%0.65260%0.595SS**Hα-helixtrans-55.6-31.2178.4-147.64.7000111G24 L25 A26D22-G24 VanDerWaalsContact C-N 3.35Å; D22-G24 PolarHBondContact O-N 3.43Å; D22-L25 PolarHBondContact O-N 2.91Å; D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.06Å
23D82.5Confident73.2Confident131 Ų131115.5 Ų115.570%0.70159%0.594SS**Hα-helixtrans-58.7-39.9170.7-65.2-22.5000113.3T21 A26 S27T21-D23 PolarHBondContact O-N 3.37Å; T21-D23 VanDerWaalsContact O-N 3.14Å; D23-A26 PolarHBondContact O-N 3.46Å; D23-S27 VanDerWaalsContact O-CB 3.25Å; D23-S27 WeakPolarHBondContact O-CB 3.31Å; D23-S27 PolarHBondContact O-N 3.37Å
24G85.2Confident75.3Confident16 Ų16115.6 Ų115.617%0.16559%0.592CS.*Hα-helixtrans-65.6-42.3176.400000112T21 D22 S27 M28T21-G24 WeakPolarHBondContact O-CA 3.3Å; T21-G24 PolarHBondContact O-N 3.1Å; D22-G24 VanDerWaalsContact C-N 3.35Å; D22-G24 PolarHBondContact O-N 3.43Å; G24-S27 PolarHBondContact O-N 3.26Å; G24-M28 WeakPolarHBondContact O-CG 3.47Å; G24-M28 PolarHBondContact O-N 3.29Å
25L87Confident77.5Confident84 Ų84110.9 Ų110.944%0.4458%0.579SS.*Hα-helixtrans-66.1-42.6174.7-71.1173.1000111.7T21 D22 M28 R29T21-L25 PolarHBondContact O-N 3.4Å; D22-L25 PolarHBondContact O-N 2.91Å; L25-M28 HydrophobicContact CD2-CE 3.84Å; L25-M28 PolarHBondContact O-N 3.14Å; L25-R29 WeakPolarHBondContact O-CG 3.31Å; L25-R29 PolarHBondContact O-N 3.41Å
26A89Confident79.6Confident52 Ų52109.5 Ų109.543%0.4357%0.569SS.*Hα-helixtrans-62.8-43.9176.600000111.5D22 D23 R29 A30D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.06Å; D23-A26 PolarHBondContact O-N 3.46Å; A26-R29 PolarHBondContact O-N 3.44Å; A26-A30 WeakPolarHBondContact O-CB 3.37Å; A26-A30 PolarHBondContact O-N 2.97Å
27S89.7Confident81.9Confident63 Ų63110.5 Ų110.544%0.44157%0.567SS.*Hα-helixtrans-61.1-47.1175.3-175.50000111.8D23 G24 R29 A30 I31D23-S27 VanDerWaalsContact O-CB 3.25Å; D23-S27 WeakPolarHBondContact O-CB 3.31Å; D23-S27 PolarHBondContact O-N 3.37Å; G24-S27 PolarHBondContact O-N 3.26Å; S27-R29 VanDerWaalsContact C-N 3.35Å; S27-R29 PolarHBondContact O-N 3.48Å; S27-A30 WeakPolarHBondContact O-CB 3.38Å; S27-A30 PolarHBondContact O-N 2.97Å; S27-A30 VanDerWaalsContact O-N 3.11Å; S27-I31 VanDerWaalsContact O-CG1 3.32Å; S27-I31 WeakPolarHBondContact O-CG1 3.27Å; S27-I31 PolarHBondContact O-N 2.96Å
28M90Very high84.2Confident101 Ų101110.4 Ų110.450%0.49856%0.561SS.*Hα-helixtrans-61.1-40.7176.1-76.8-172-73.700112.5G24 L25 A30 I31 R32G24-M28 WeakPolarHBondContact O-CG 3.47Å; G24-M28 PolarHBondContact O-N 3.29Å; L25-M28 HydrophobicContact CD2-CE 3.84Å; L25-M28 PolarHBondContact O-N 3.14Å; M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 2.94Å; M28-I31 PolarHBondContact O-N 2.76Å; M28-R32 WeakPolarHBondContact O-CB 3.37Å; M28-R32 PolarHBondContact O-N 3.36Å
29R92.4Very high86.4Confident154 Ų154109.2 Ų109.258%0.58154%0.542SS*.Hα-helixtrans-63-40.7173.9-72.3-177.4-132161.56.7111.6L25 A26 S27 R32 K33L25-R29 WeakPolarHBondContact O-CG 3.31Å; L25-R29 PolarHBondContact O-N 3.41Å; A26-R29 PolarHBondContact O-N 3.44Å; S27-R29 VanDerWaalsContact C-N 3.35Å; S27-R29 PolarHBondContact O-N 3.48Å; R29-R32 PolarHBondContact O-N 3.28Å; R29-K33 WeakPolarHBondContact O-CG 3.46Å; R29-K33 PolarHBondContact O-N 3.47Å
30A93.6Very high88.7Confident48 Ų48110.1 Ų110.140%0.39754%0.543SS..Hα-helixtrans-66.6-42.4177.600000112A26 S27 M28 K33 K34A26-A30 WeakPolarHBondContact O-CB 3.37Å; A26-A30 PolarHBondContact O-N 2.97Å; S27-A30 WeakPolarHBondContact O-CB 3.38Å; S27-A30 PolarHBondContact O-N 2.97Å; S27-A30 VanDerWaalsContact O-N 3.11Å; M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 2.94Å; A30-K33 PolarHBondContact O-N 2.73Å; A30-K34 WeakPolarHBondContact O-CG 3.41Å; A30-K34 PolarHBondContact O-N 2.9Å
31I93.8Very high90.7Very high83 Ų83104.4 Ų104.443%0.42652%0.522SS..Hα-helixtrans-61.1-47.7174.1-68.6165.8000110S27 M28 K33 K34 Q35S27-I31 VanDerWaalsContact O-CG1 3.32Å; S27-I31 WeakPolarHBondContact O-CG1 3.27Å; S27-I31 PolarHBondContact O-N 2.96Å; M28-I31 PolarHBondContact O-N 2.76Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 3.18Å; I31-K34 WeakPolarHBondContact O-CB 3.42Å; I31-K34 PolarHBondContact O-N 3.44Å; I31-Q35 HydrophobicContact CG2-CG 4.29Å; I31-Q35 WeakPolarHBondContact O-CG 3.45Å; I31-Q35 PolarHBondContact O-N 2.86Å
32R94.2Very high92.2Very high187 Ų187106.2 Ų106.271%0.70653%0.525SS*.Hα-helixtrans-58.8-43.6178.4-166.9177.9-159.8160.46.3112.2M28 R29 K34 Q35 E36M28-R32 WeakPolarHBondContact O-CB 3.37Å; M28-R32 PolarHBondContact O-N 3.36Å; R29-R32 PolarHBondContact O-N 3.28Å; R32-K34 VanDerWaalsContact C-N 3.34Å; R32-K34 PolarHBondContact O-N 2.91Å; R32-Q35 PolarHBondContact O-N 3.42Å; R32-E36 WeakPolarHBondContact O-CB 3.49Å; R32-E36 PolarHBondContact O-N 2.9Å
33K95.9Very high93.2Very high151 Ų151104.7 Ų104.766%0.65752%0.516SS*.Hα-helixtrans-61.8-39.6174.4-75.5179.5177.3-174.50112.5R29 A30 I31 K37R29-K33 WeakPolarHBondContact O-CG 3.46Å; R29-K33 PolarHBondContact O-N 3.47Å; A30-K33 PolarHBondContact O-N 2.73Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 3.18Å; K33-K37 WeakPolarHBondContact O-CB 3.34Å; K33-K37 PolarHBondContact O-N 2.89Å
34K96.1Very high93.9Very high158 Ų158101.4 Ų101.469%0.68750%0.501SS*.Hα-helixtrans-66.7-42.2175.4-73.9-179.5178.6-176.60111.7A30 I31 R32 K37 L38A30-K34 WeakPolarHBondContact O-CG 3.41Å; A30-K34 PolarHBondContact O-N 2.9Å; I31-K34 WeakPolarHBondContact O-CB 3.42Å; I31-K34 PolarHBondContact O-N 3.44Å; R32-K34 VanDerWaalsContact C-N 3.34Å; R32-K34 PolarHBondContact O-N 2.91Å; K34-K37 PolarHBondContact O-N 2.87Å; K34-L38 WeakPolarHBondContact O-CB 3.43Å; K34-L38 PolarHBondContact O-N 3.16Å
35Q95.8Very high94.4Very high122 Ų122104.6 Ų104.657%0.5751%0.514SS*.Hα-helixtrans-63.3-43.7175.8-73.4174.8-30.300111.7I31 R32 L38 M39I31-Q35 HydrophobicContact CG2-CG 4.29Å; I31-Q35 WeakPolarHBondContact O-CG 3.45Å; I31-Q35 PolarHBondContact O-N 2.86Å; R32-Q35 PolarHBondContact O-N 3.42Å; Q35-L38 PolarHBondContact O-N 2.86Å; Q35-M39 WeakPolarHBondContact O-CB 3.46Å; Q35-M39 PolarHBondContact O-N 2.64Å
36E96Very high94.7Very high111 Ų111103.2 Ų103.252%0.51952%0.515SS..Hα-helixtrans-62.8-44.6175.6-177.5174.9-159.400111.7R32 L38 M39 N40R32-E36 WeakPolarHBondContact O-CB 3.49Å; R32-E36 PolarHBondContact O-N 2.9Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.36Å; E36-M39 PolarHBondContact O-N 2.97Å; E36-N40 WeakPolarHBondContact O-CB 3.23Å; E36-N40 VanDerWaalsContact O-CG 3.3Å; E36-N40 PolarHBondContact O-N 3.45Å; E36-N40 PolarHBondContact O-ND2 3.2Å
37K96.6Very high94.9Very high164 Ų164106.6 Ų106.671%0.71352%0.521SS*.Hα-helixtrans-60.8-42.1174.7-172.4177.6-178.7-179.10112K33 K34 L41K33-K37 WeakPolarHBondContact O-CB 3.34Å; K33-K37 PolarHBondContact O-N 2.89Å; K34-K37 PolarHBondContact O-N 2.87Å; K37-L41 WeakPolarHBondContact O-CB 3.3Å; K37-L41 PolarHBondContact O-N 2.99Å
38L97Very high95.1Very high93 Ų93108.9 Ų108.949%0.48753%0.525SS..Hα-helixtrans-66.7-42.5177.9-17762.2000111.5K34 Q35 E36 L41 H42K34-L38 WeakPolarHBondContact O-CB 3.43Å; K34-L38 PolarHBondContact O-N 3.16Å; Q35-L38 PolarHBondContact O-N 2.86Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.36Å; L38-L41 WeakPolarHBondContact O-CB 3.31Å; L38-L41 PolarHBondContact O-N 3.42Å; L38-H42 PolarHBondContact O-CD2 3Å; L38-H42 PolarHBondContact O-N 2.98Å
39M97.3Very high95.2Very high104 Ų104110.8 Ų110.851%0.51253%0.533SS..Hα-helixtrans-59.8-47.2175-176.8-173.372.100111.2Q35 E36 L41 H42 L43Q35-M39 WeakPolarHBondContact O-CB 3.46Å; Q35-M39 PolarHBondContact O-N 2.64Å; E36-M39 PolarHBondContact O-N 2.97Å; M39-L41 VanDerWaalsContact C-N 3.31Å; M39-L41 PolarHBondContact O-N 3.41Å; M39-H42 PolarHBondContact O-N 3.38Å; M39-L43 HydrophobicContact CG-CD1 3.97Å; M39-L43 WeakPolarHBondContact O-CD1 3.46Å; M39-L43 PolarHBondContact O-N 3.43Å
40N97Very high95.3Very high79 Ų79109.5 Ų109.542%0.42254%0.535SS..Hα-helixtrans-61.4-39.8176.8-71.3-19.6000111.9E36 L43 T44E36-N40 WeakPolarHBondContact O-CB 3.23Å; E36-N40 VanDerWaalsContact O-CG 3.3Å; E36-N40 PolarHBondContact O-N 3.45Å; E36-N40 PolarHBondContact O-ND2 3.2Å; N40-L43 PolarHBondContact O-N 2.98Å; N40-T44 PolarHBondContact O-N 3.41Å; N40-T44 PolarHBondContact O-OG1 3.19Å; N40-T44 VanDerWaalsContact O-OG1 3.13Å
41L96.6Very high95.2Very high93 Ų93111 Ų11149%0.48754%0.539SS..Hα-helixtrans-61.8-44.1174.3-178.964.6000111.7K37 L38 M39 L43 T44 L45K37-L41 WeakPolarHBondContact O-CB 3.3Å; K37-L41 PolarHBondContact O-N 2.99Å; L38-L41 WeakPolarHBondContact O-CB 3.31Å; L38-L41 PolarHBondContact O-N 3.42Å; M39-L41 VanDerWaalsContact C-N 3.31Å; M39-L41 PolarHBondContact O-N 3.41Å; L41-L43 VanDerWaalsContact C-N 3.35Å; L41-L43 PolarHBondContact O-N 3.06Å; L41-T44 PolarHBondContact O-N 3.4Å; L41-L45 HydrophobicContact CD1-CD1 4.36Å; L41-L45 HydrophobicContact CD1-CG 4.39Å; L41-L45 HydrophobicContact CG-CD1 4.1Å; L41-L45 WeakPolarHBondContact O-CG 3.03Å; L41-L45 PolarHBondContact O-N 3.5Å
42H95.8Very high95.1Very high114 Ų114112.9 Ų112.953%0.52855%0.546SS..Hα-helixtrans-63.5-39.3176.1-74.8-60.7000112.6L38 M39 L45 A46L38-H42 PolarHBondContact O-CD2 3Å; L38-H42 PolarHBondContact O-N 2.98Å; M39-H42 PolarHBondContact O-N 3.38Å; H42-L45 PolarHBondContact O-N 2.97Å; H42-A46 WeakPolarHBondContact O-CB 3.49Å; H42-A46 PolarHBondContact O-N 3.18Å
43L96.6Very high94.9Very high90 Ų90106.7 Ų106.747%0.47153%0.532SS..Hα-helixtrans-60.9-45.4173.8-83.5145.8000111.6M39 N40 L41 Q47M39-L43 HydrophobicContact CG-CD1 3.97Å; M39-L43 WeakPolarHBondContact O-CD1 3.46Å; M39-L43 PolarHBondContact O-N 3.43Å; N40-L43 PolarHBondContact O-N 2.98Å; L41-L43 VanDerWaalsContact C-N 3.35Å; L41-L43 PolarHBondContact O-N 3.06Å; L43-Q47 VanDerWaalsContact O-CG 3.3Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.06Å; L43-Q47 VanDerWaalsContact O-N 3.1Å
44T95.9Very high94.8Very high63 Ų63104 Ų10439%0.38752%0.523SS..Hα-helixtrans-62.6-48.5176.6-60.60000111.6N40 L41 A46 Q47 E48N40-T44 PolarHBondContact O-N 3.41Å; N40-T44 PolarHBondContact O-OG1 3.19Å; N40-T44 VanDerWaalsContact O-OG1 3.13Å; L41-T44 PolarHBondContact O-N 3.4Å; T44-A46 VanDerWaalsContact C-N 3.34Å; T44-A46 PolarHBondContact O-N 3.39Å; T44-Q47 WeakPolarHBondContact O-CB 3.4Å; T44-Q47 PolarHBondContact O-N 2.89Å; T44-Q47 VanDerWaalsContact O-N 3.14Å; T44-E48 HydrophobicContact CG2-CG 4.48Å; T44-E48 WeakPolarHBondContact O-CG 3.48Å; T44-E48 PolarHBondContact O-N 3.08Å
45L95.1Very high94.5Very high83 Ų83101.6 Ų101.644%0.43552%0.518SS..Hα-helixtrans-61.8-40.7180-71.3172000112.1L41 H42 Q47 E48 E49L41-L45 HydrophobicContact CD1-CD1 4.36Å; L41-L45 HydrophobicContact CD1-CG 4.39Å; L41-L45 HydrophobicContact CG-CD1 4.1Å; L41-L45 WeakPolarHBondContact O-CG 3.03Å; L41-L45 PolarHBondContact O-N 3.5Å; H42-L45 PolarHBondContact O-N 2.97Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 2.93Å; L45-E48 PolarHBondContact O-N 3.36Å; L45-E49 WeakPolarHBondContact O-CB 3.28Å; L45-E49 PolarHBondContact O-N 2.92Å
46A93.6Very high94.4Very high55 Ų5599.8 Ų99.846%0.45551%0.509SS..Hα-helixtrans-65-35.2176.200000112.5H42 T44 M50H42-A46 WeakPolarHBondContact O-CB 3.49Å; H42-A46 PolarHBondContact O-N 3.18Å; T44-A46 VanDerWaalsContact C-N 3.34Å; T44-A46 PolarHBondContact O-N 3.39Å; A46-M50 WeakPolarHBondContact O-CB 3.37Å; A46-M50 PolarHBondContact O-N 3.45Å; A46-M50 VanDerWaalsContact O-N 3.07Å
47Q94Very high94.3Very high122 Ų12298 Ų9857%0.5750%0.503SS*.Hα-helixtrans-69.2-39.4174.1-73.6173.5-15.400112.1L43 T44 L45 T51L43-Q47 VanDerWaalsContact O-CG 3.3Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.06Å; L43-Q47 VanDerWaalsContact O-N 3.1Å; T44-Q47 WeakPolarHBondContact O-CB 3.4Å; T44-Q47 PolarHBondContact O-N 2.89Å; T44-Q47 VanDerWaalsContact O-N 3.14Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 2.93Å; Q47-T51 WeakPolarHBondContact O-CB 3.4Å; Q47-T51 PolarHBondContact O-N 3.05Å; Q47-T51 PolarHBondContact O-OG1 3.27Å
48E93.9Very high94.1Very high112 Ų11296.2 Ų96.252%0.52350%0.495SS..Hα-helixtrans-63.1-49.2175.4-73.4174.918000111T44 L45 M50 T51 E52T44-E48 HydrophobicContact CG2-CG 4.48Å; T44-E48 WeakPolarHBondContact O-CG 3.48Å; T44-E48 PolarHBondContact O-N 3.08Å; L45-E48 PolarHBondContact O-N 3.36Å; E48-M50 PolarHBondContact O-N 3.44Å; E48-T51 PolarHBondContact O-N 3.5Å; E48-T51 VanDerWaalsContact O-N 3.11Å; E48-E52 WeakPolarHBondContact O-CB 3.47Å; E48-E52 PolarHBondContact O-N 3.32Å
49E92.9Very high94Very high141 Ų14196.9 Ų96.966%0.65950%0.499SS*.Hα-helixtrans-59.7-43.6177.3-174.9179.7-175.600112L45 T51 E52 S53L45-E49 WeakPolarHBondContact O-CB 3.28Å; L45-E49 PolarHBondContact O-N 2.92Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 2.98Å; E49-E52 PolarHBondContact O-N 3.42Å; E49-S53 WeakPolarHBondContact O-CB 3.41Å; E49-S53 PolarHBondContact O-N 3.42Å
50M93Very high93.9Very high127 Ų12797.6 Ų97.663%0.62650%0.496SS*.Hα-helixtrans-62.2-40.6175.2-177.7179.1179.400111.8A46 E48 I54A46-M50 WeakPolarHBondContact O-CB 3.37Å; A46-M50 PolarHBondContact O-N 3.45Å; A46-M50 VanDerWaalsContact O-N 3.07Å; E48-M50 PolarHBondContact O-N 3.44Å; M50-I54 HydrophobicContact CE-CD1 4.2Å; M50-I54 HydrophobicContact CG-CD1 4.1Å; M50-I54 WeakPolarHBondContact O-CD1 3.38Å; M50-I54 VanDerWaalsContact O-CG1 3.24Å; M50-I54 WeakPolarHBondContact O-CG1 3.32Å; M50-I54 PolarHBondContact O-N 3.08Å; M50-I54 VanDerWaalsContact O-N 3.1Å
51T92.2Very high93.8Very high79 Ų79100 Ų10049%0.48550%0.503SS..Hα-helixtrans-68.8-42.8179.6-57.70000111.2Q47 E48 E49 I54 L55Q47-T51 WeakPolarHBondContact O-CB 3.4Å; Q47-T51 PolarHBondContact O-N 3.05Å; Q47-T51 PolarHBondContact O-OG1 3.27Å; E48-T51 PolarHBondContact O-N 3.5Å; E48-T51 VanDerWaalsContact O-N 3.11Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 2.98Å; T51-I54 PolarHBondContact O-N 3.42Å; T51-L55 HydrophobicContact CG2-CD1 4.29Å; T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 2.89Å
52E91.8Very high93.8Very high122 Ų122100.9 Ų100.957%0.5750%0.502SS*.Hα-helixtrans-60.2-47.7175.3-174.6170.7-158.500110.9E48 E49 I54 L55 E56E48-E52 WeakPolarHBondContact O-CB 3.47Å; E48-E52 PolarHBondContact O-N 3.32Å; E49-E52 PolarHBondContact O-N 3.42Å; E52-I54 VanDerWaalsContact C-N 3.33Å; E52-I54 PolarHBondContact O-N 3.02Å; E52-L55 PolarHBondContact O-N 2.96Å; E52-L55 VanDerWaalsContact O-N 3.08Å; E52-E56 WeakPolarHBondContact O-CG 3.43Å; E52-E56 PolarHBondContact O-N 3.19Å
53S90.8Very high93.9Very high58 Ų5899.9 Ų99.941%0.40650%0.5SS..Hα-helixtrans-56.3-43.8175.6172.20000112.7E49 L55 E56 D57E49-S53 WeakPolarHBondContact O-CB 3.41Å; E49-S53 PolarHBondContact O-N 3.42Å; S53-L55 PolarHBondContact O-N 3.24Å; S53-E56 PolarHBondContact O-N 3.04Å; S53-D57 PolarHBondContact O-N 2.85Å
54I92Very high93.9Very high94 Ų94102 Ų10248%0.48251%0.508SS..Hα-helixtrans-64.2-40.4177.1-69.6164.6000111.4M50 T51 E52 D57 K58M50-I54 HydrophobicContact CE-CD1 4.2Å; M50-I54 HydrophobicContact CG-CD1 4.1Å; M50-I54 WeakPolarHBondContact O-CD1 3.38Å; M50-I54 VanDerWaalsContact O-CG1 3.24Å; M50-I54 WeakPolarHBondContact O-CG1 3.32Å; M50-I54 PolarHBondContact O-N 3.08Å; M50-I54 VanDerWaalsContact O-N 3.1Å; T51-I54 PolarHBondContact O-N 3.42Å; E52-I54 VanDerWaalsContact C-N 3.33Å; E52-I54 PolarHBondContact O-N 3.02Å; I54-D57 PolarHBondContact O-N 2.86Å; I54-K58 WeakPolarHBondContact O-CB 3.38Å; I54-K58 PolarHBondContact O-N 3.45Å
55L91Very high93.9Very high108 Ų108104.7 Ų104.757%0.56552%0.516SS*.Hα-helixtrans-67.3-42.6178.7-72.8173000111.7T51 E52 S53 K58 L59T51-L55 HydrophobicContact CG2-CD1 4.29Å; T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 2.89Å; E52-L55 PolarHBondContact O-N 2.96Å; E52-L55 VanDerWaalsContact O-N 3.08Å; S53-L55 PolarHBondContact O-N 3.24Å; L55-K58 PolarHBondContact O-N 3.3Å; L55-L59 PolarHBondContact O-N 3.42Å
56E93Very high94Very high84 Ų84105.3 Ų105.339%0.39352%0.52SS..Hα-helixtrans-60.9-45.1174.7-70.3-167.7168.100111.9E52 S53 K58 L59 R60E52-E56 WeakPolarHBondContact O-CG 3.43Å; E52-E56 PolarHBondContact O-N 3.19Å; S53-E56 PolarHBondContact O-N 3.04Å; E56-K58 VanDerWaalsContact C-N 3.31Å; E56-K58 PolarHBondContact O-N 3.46Å; E56-L59 PolarHBondContact O-N 3.39Å; E56-L59 VanDerWaalsContact O-N 3.16Å; E56-R60 VanDerWaalsContact CB-NH2 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.44Å; E56-R60 PolarHBondContact O-N 2.94Å; E56-R60 IonicContact OE2-CZ 3.66Å; E56-R60 IonicContact OE2-NH1 3.21Å; E56-R60 PolarHBondContact OE2-NH1 3.14Å; E56-R60 IonicContact OE2-NH2 2.73Å; E56-R60 PolarHBondContact OE2-NH2 3.19Å
57D93.7Very high94.2Very high72 Ų72105.7 Ų105.739%0.38552%0.519SS..Hα-helixtrans-64.8-36.8179.3-79.3-3.7000112.2S53 I54 L59 R60 K61S53-D57 PolarHBondContact O-N 2.85Å; I54-D57 PolarHBondContact O-N 2.86Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-R60 PolarHBondContact O-N 3.19Å; D57-R60 IonicContact OD1-CZ 3.33Å; D57-R60 IonicContact OD1-NE 2.94Å; D57-R60 PolarHBondContact OD1-NE 2.98Å; D57-R60 IonicContact OD1-NH2 2.83Å; D57-R60 PolarHBondContact OD1-NH2 3.41Å; D57-K61 VanDerWaalsContact O-CG 3.32Å; D57-K61 WeakPolarHBondContact O-CG 3.39Å; D57-K61 PolarHBondContact O-N 2.83Å
58K93.8Very high94.4Very high128 Ų128106.4 Ų106.456%0.55752%0.52SS*.Hα-helixtrans-63.7-41.1173.3-173.3178-177.4177.50111.6I54 L55 E56 K62I54-K58 WeakPolarHBondContact O-CB 3.38Å; I54-K58 PolarHBondContact O-N 3.45Å; L55-K58 PolarHBondContact O-N 3.3Å; E56-K58 VanDerWaalsContact C-N 3.31Å; E56-K58 PolarHBondContact O-N 3.46Å; K58-K62 PolarHBondContact O-N 3.16Å; K58-K62 VanDerWaalsContact O-N 3.14Å
59L93.8Very high94.5Very high107 Ų107105.8 Ų105.856%0.5652%0.52SS*.Hα-helixtrans-67.9-43.9177-174.963.8000111.3L55 E56 D57 K61 K62 I63L55-L59 PolarHBondContact O-N 3.42Å; E56-L59 PolarHBondContact O-N 3.39Å; E56-L59 VanDerWaalsContact O-N 3.16Å; D57-L59 VanDerWaalsContact C-N 3.34Å; L59-K61 VanDerWaalsContact C-N 3.33Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-K62 PolarHBondContact O-N 2.83Å; L59-I63 HydrophobicContact CG-CD1 4.18Å; L59-I63 WeakPolarHBondContact O-CG1 3.41Å; L59-I63 PolarHBondContact O-N 3.5Å
60R95.4Very high94.7Very high118 Ų118103.3 Ų103.345%0.44551%0.511SS..Hα-helixtrans-56.5-45.4175.1-77.3-172.3-88.3-97.73.9111.7E56 D57 I63 Q64E56-R60 VanDerWaalsContact CB-NH2 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.44Å; E56-R60 PolarHBondContact O-N 2.94Å; E56-R60 IonicContact OE2-CZ 3.66Å; E56-R60 IonicContact OE2-NH1 3.21Å; E56-R60 PolarHBondContact OE2-NH1 3.14Å; E56-R60 IonicContact OE2-NH2 2.73Å; E56-R60 PolarHBondContact OE2-NH2 3.19Å; D57-R60 PolarHBondContact O-N 3.19Å; D57-R60 IonicContact OD1-CZ 3.33Å; D57-R60 IonicContact OD1-NE 2.94Å; D57-R60 PolarHBondContact OD1-NE 2.98Å; D57-R60 IonicContact OD1-NH2 2.83Å; D57-R60 PolarHBondContact OD1-NH2 3.41Å; R60-I63 PolarHBondContact O-N 2.96Å; R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.42Å
61K95.7Very high94.9Very high131 Ų131103.3 Ų103.357%0.5751%0.51SS*.Hα-helixtrans-60-45.8175.3-74.5175.3-176.7179.50112.4D57 L59 I63 Q64 E65D57-K61 VanDerWaalsContact O-CG 3.32Å; D57-K61 WeakPolarHBondContact O-CG 3.39Å; D57-K61 PolarHBondContact O-N 2.83Å; L59-K61 VanDerWaalsContact C-N 3.33Å; L59-K61 PolarHBondContact O-N 2.94Å; K61-I63 VanDerWaalsContact C-N 3.33Å; K61-I63 PolarHBondContact O-N 3.03Å; K61-Q64 PolarHBondContact O-N 2.94Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.02Å
62K96.7Very high95.2Very high111 Ų111103.1 Ų103.148%0.48351%0.506SS..Hα-helixtrans-61-40.3176.4-77-175.3171.9-167.30113K58 L59 Q64 E65 N66K58-K62 PolarHBondContact O-N 3.16Å; K58-K62 VanDerWaalsContact O-N 3.14Å; L59-K62 PolarHBondContact O-N 2.83Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-E65 PolarHBondContact O-N 3.43Å; K62-N66 WeakPolarHBondContact O-CB 3.24Å; K62-N66 VanDerWaalsContact O-CG 3.23Å; K62-N66 PolarHBondContact O-N 2.88Å
63I96.2Very high95.4Very high93 Ų93102.6 Ų102.648%0.47750%0.504SS..Hα-helixtrans-61.8-45.7176.1-69.3166.9000109.7L59 R60 K61 N66 S67L59-I63 HydrophobicContact CG-CD1 4.18Å; L59-I63 WeakPolarHBondContact O-CG1 3.41Å; L59-I63 PolarHBondContact O-N 3.5Å; R60-I63 PolarHBondContact O-N 2.96Å; K61-I63 VanDerWaalsContact C-N 3.33Å; K61-I63 PolarHBondContact O-N 3.03Å; I63-N66 PolarHBondContact O-N 3.36Å; I63-S67 WeakPolarHBondContact O-CB 3.49Å; I63-S67 PolarHBondContact O-N 3.48Å; I63-S67 PolarHBondContact O-OG 3.33Å; I63-S67 VanDerWaalsContact O-OG 3.08Å
64Q96.7Very high95.7Very high135 Ų135105.7 Ų105.763%0.63151%0.51SS*.Hα-helixtrans-63.1-43.1177.9-71.2175.5-19.200112.7R60 K61 K62 S67 K68R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.42Å; K61-Q64 PolarHBondContact O-N 2.94Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; Q64-S67 PolarHBondContact O-N 3.08Å; Q64-K68 PolarHBondContact O-N 3.02Å
65E97Very high95.9Very high118 Ų118103.6 Ų103.655%0.55151%0.507SS*.Hα-helixtrans-60.4-47.9175.2-73.5168-174.300111.4K61 K62 K68 L69K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.02Å; K62-E65 PolarHBondContact O-N 3.43Å; E65-K68 WeakPolarHBondContact O-CB 3.37Å; E65-K68 PolarHBondContact O-N 3.44Å; E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.42Å
66N97.2Very high96.2Very high97 Ų97104.7 Ų104.752%0.51951%0.509SS..Hα-helixtrans-63.7-42.5177.4-71.8-7.9000112.1K62 I63 K68 L69 L70K62-N66 WeakPolarHBondContact O-CB 3.24Å; K62-N66 VanDerWaalsContact O-CG 3.23Å; K62-N66 PolarHBondContact O-N 2.88Å; I63-N66 PolarHBondContact O-N 3.36Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 2.99Å; N66-L69 PolarHBondContact O-N 3.07Å; N66-L70 WeakPolarHBondContact O-CG 3.47Å; N66-L70 PolarHBondContact O-N 3.01Å
67S97.7Very high96.4Very high62 Ų62105.1 Ų105.143%0.43451%0.514SS..Hα-helixtrans-60.9-39.1175.6-68.10000111.6I63 Q64 L70 M71I63-S67 WeakPolarHBondContact O-CB 3.49Å; I63-S67 PolarHBondContact O-N 3.48Å; I63-S67 PolarHBondContact O-OG 3.33Å; I63-S67 VanDerWaalsContact O-OG 3.08Å; Q64-S67 PolarHBondContact O-N 3.08Å; S67-L70 PolarHBondContact O-N 3.32Å; S67-M71 VanDerWaalsContact O-CG 3.28Å; S67-M71 WeakPolarHBondContact O-CG 3.35Å; S67-M71 PolarHBondContact O-N 2.85Å
68K97.5Very high96.5Very high137 Ų137105.5 Ų105.560%0.59652%0.518SS*.Hα-helixtrans-63.1-49.6175.5-175.6-176.3173.6-171.10111.4Q64 E65 N66 L70 M71 D72Q64-K68 PolarHBondContact O-N 3.02Å; E65-K68 WeakPolarHBondContact O-CB 3.37Å; E65-K68 PolarHBondContact O-N 3.44Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 2.99Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.11Å; K68-M71 PolarHBondContact O-N 3.1Å; K68-M71 VanDerWaalsContact O-N 3.08Å; K68-D72 PolarHBondContact O-N 3.33Å
69L97Very high96.7Very high100 Ų100106 Ų10652%0.52452%0.523SS..Hα-helixtrans-56.9-44178-70.1172000111.9E65 N66 M71 D72 E73E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.42Å; N66-L69 PolarHBondContact O-N 3.07Å; L69-M71 VanDerWaalsContact C-N 3.34Å; L69-M71 PolarHBondContact O-N 3.42Å; L69-D72 PolarHBondContact O-N 3.25Å; L69-E73 WeakPolarHBondContact O-CG 3.35Å; L69-E73 PolarHBondContact O-N 3.12Å
70L97.4Very high96.8Very high89 Ų89106.6 Ų106.647%0.46652%0.524SS..Hα-helixtrans-61.3-41.6175.8-72.9171.3000112.3N66 S67 K68 D72 E73 F74N66-L70 WeakPolarHBondContact O-CG 3.47Å; N66-L70 PolarHBondContact O-N 3.01Å; S67-L70 PolarHBondContact O-N 3.32Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.11Å; L70-D72 VanDerWaalsContact C-N 3.35Å; L70-E73 PolarHBondContact O-N 3.42Å; L70-F74 WeakPolarHBondContact O-CB 3.45Å; L70-F74 WeakPolarHBondContact O-CD2 3.36Å; L70-F74 PolarHBondContact O-N 3.1Å
71M97.3Very high96.8Very high126 Ų126105.7 Ų105.762%0.62153%0.527SS*.Hα-helixtrans-66.6-37.5177.6-70.5-59.8-60.600112.2S67 K68 L69 F74 A75S67-M71 VanDerWaalsContact O-CG 3.28Å; S67-M71 WeakPolarHBondContact O-CG 3.35Å; S67-M71 PolarHBondContact O-N 2.85Å; K68-M71 PolarHBondContact O-N 3.1Å; K68-M71 VanDerWaalsContact O-N 3.08Å; L69-M71 VanDerWaalsContact C-N 3.34Å; L69-M71 PolarHBondContact O-N 3.42Å; M71-F74 PolarHBondContact O-N 2.93Å; M71-A75 PolarHBondContact O-N 3.44Å
72D97.2Very high96.8Very high75 Ų75103.8 Ų103.840%0.40152%0.523SS..Hα-helixtrans-64.9-45.3175-65.1-19.9000110.1K68 L69 L70 F74 A75 E76K68-D72 PolarHBondContact O-N 3.33Å; L69-D72 PolarHBondContact O-N 3.25Å; L70-D72 VanDerWaalsContact C-N 3.35Å; D72-F74 PolarHBondContact O-N 3.42Å; D72-A75 WeakPolarHBondContact O-CB 3.45Å; D72-A75 PolarHBondContact O-N 3.14Å; D72-E76 PolarHBondContact O-N 2.75Å
73E96.6Very high96.8Very high112 Ų112103.3 Ų103.352%0.52352%0.523SS..Hα-helixtrans-61.5-40.9174.3-72.6175.9-177.900112.6L69 L70 A75 E76 L77L69-E73 WeakPolarHBondContact O-CG 3.35Å; L69-E73 PolarHBondContact O-N 3.12Å; L70-E73 PolarHBondContact O-N 3.42Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.28Å; E73-E76 PolarHBondContact O-N 3.1Å; E73-L77 WeakPolarHBondContact O-CG 3.39Å; E73-L77 PolarHBondContact O-N 2.98Å
74F97.1Very high96.8Very high122 Ų122105.3 Ų105.354%0.53553%0.528SS..Hα-helixtrans-64.2-38.4175-82.3-59.1000112.1L70 M71 D72 L77 V78L70-F74 WeakPolarHBondContact O-CB 3.45Å; L70-F74 WeakPolarHBondContact O-CD2 3.36Å; L70-F74 PolarHBondContact O-N 3.1Å; M71-F74 PolarHBondContact O-N 2.93Å; D72-F74 PolarHBondContact O-N 3.42Å; F74-L77 PolarHBondContact O-N 3.44Å; F74-V78 VanDerWaalsContact O-CG2 3.31Å; F74-V78 WeakPolarHBondContact O-CG2 3.35Å; F74-V78 PolarHBondContact O-N 3.48Å
75A96.6Very high96.7Very high50 Ų50101.3 Ų101.341%0.41351%0.511SS..Hα-helixtrans-63-45.3176.300000111.3M71 D72 E73 L77 V78 E79M71-A75 PolarHBondContact O-N 3.44Å; D72-A75 WeakPolarHBondContact O-CB 3.45Å; D72-A75 PolarHBondContact O-N 3.14Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.28Å; A75-L77 VanDerWaalsContact C-N 3.33Å; A75-L77 PolarHBondContact O-N 2.92Å; A75-V78 PolarHBondContact O-N 3.4Å; A75-E79 WeakPolarHBondContact O-CG 3.47Å; A75-E79 PolarHBondContact O-N 2.93Å
76E96.5Very high96.6Very high132 Ų13297.7 Ų97.762%0.61750%0.499SS*.Hα-helixtrans-59.8-41.7175.8-70.1-178.9-167.400112.4D72 E73 E79 M80D72-E76 PolarHBondContact O-N 2.75Å; E73-E76 PolarHBondContact O-N 3.1Å; E76-E79 PolarHBondContact O-N 3.19Å; E76-M80 WeakPolarHBondContact O-CB 3.45Å; E76-M80 PolarHBondContact O-N 3.08Å
77L96.7Very high96.4Very high93 Ų93101 Ų10149%0.48750%0.504SS..Hα-helixtrans-64.5-39.7176.2-72.7174.6000112.3E73 F74 A75 M80 I81E73-L77 WeakPolarHBondContact O-CG 3.39Å; E73-L77 PolarHBondContact O-N 2.98Å; F74-L77 PolarHBondContact O-N 3.44Å; A75-L77 VanDerWaalsContact C-N 3.33Å; A75-L77 PolarHBondContact O-N 2.92Å; L77-M80 PolarHBondContact O-N 3.35Å; L77-I81 WeakPolarHBondContact O-CD1 3.3Å; L77-I81 VanDerWaalsContact O-CG1 3.23Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 3.27Å
78V97Very high96.1Very high79 Ų79103.8 Ų103.848%0.47951%0.505SS..Hα-helixtrans-63.4-45.6175.9169.60000110.6F74 A75 M80 I81 D82F74-V78 VanDerWaalsContact O-CG2 3.31Å; F74-V78 WeakPolarHBondContact O-CG2 3.35Å; F74-V78 PolarHBondContact O-N 3.48Å; A75-V78 PolarHBondContact O-N 3.4Å; V78-M80 VanDerWaalsContact C-N 3.33Å; V78-M80 PolarHBondContact O-N 3.1Å; V78-I81 PolarHBondContact O-N 3.32Å; V78-D82 PolarHBondContact O-N 3.37Å
79E96.7Very high95.8Very high138 Ų138104.1 Ų104.165%0.64550%0.503SS*.Hα-helixtrans-59.4-43.3176.4-71.8-178.4-177.100111.9A75 E76 I81 D82 E83A75-E79 WeakPolarHBondContact O-CG 3.47Å; A75-E79 PolarHBondContact O-N 2.93Å; E76-E79 PolarHBondContact O-N 3.19Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.41Å; E79-D82 PolarHBondContact O-N 2.83Å; E79-E83 WeakPolarHBondContact O-CB 3.35Å; E79-E83 PolarHBondContact O-N 3.33Å
80M96.3Very high95.5Very high120 Ų120104.6 Ų104.659%0.59151%0.506SS*.Hα-helixtrans-63.5-39.2177.2-171.1-175.5-58.900112.3E76 L77 V78 F84E76-M80 WeakPolarHBondContact O-CB 3.45Å; E76-M80 PolarHBondContact O-N 3.08Å; L77-M80 PolarHBondContact O-N 3.35Å; V78-M80 VanDerWaalsContact C-N 3.33Å; V78-M80 PolarHBondContact O-N 3.1Å; M80-F84 VanDerWaalsContact O-CB 3.3Å; M80-F84 WeakPolarHBondContact O-CB 2.91Å; M80-F84 PolarHBondContact O-N 3.42Å
81I96.1Very high95Very high99 Ų99103.1 Ų103.151%0.50850%0.503SS..Hα-helixtrans-66.7-42.2176.2-71.2165.3000110.7L77 V78 E79 F84 N85L77-I81 WeakPolarHBondContact O-CD1 3.3Å; L77-I81 VanDerWaalsContact O-CG1 3.23Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 3.27Å; V78-I81 PolarHBondContact O-N 3.32Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.41Å; I81-F84 PolarHBondContact O-N 3.26Å; I81-N85 WeakPolarHBondContact CG2-ND2 3.38Å; I81-N85 WeakPolarHBondContact O-CB 3.43Å; I81-N85 PolarHBondContact O-N 2.92Å; I81-N85 PolarHBondContact O-ND2 3.44Å; I81-N85 VanDerWaalsContact O-ND2 3.16Å
82D96.1Very high94.4Very high92 Ų92100.7 Ų100.749%0.49249%0.49SS..Hα-helixtrans-66.4-39177.8-79.8-17000112V78 E79 S86V78-D82 PolarHBondContact O-N 3.37Å; E79-D82 PolarHBondContact O-N 2.83Å; D82-S86 VanDerWaalsContact O-CB 3.27Å; D82-S86 WeakPolarHBondContact O-CB 3.48Å; D82-S86 PolarHBondContact O-N 2.96Å; D82-S86 PolarHBondContact O-OG 2.98Å
83E96.2Very high93.6Very high101 Ų10199.1 Ų99.147%0.47249%0.488SS..Hα-helixtrans-63.3-48.3172.5-170.8-176.2178.800110.9E79 N85 S86 R87E79-E83 WeakPolarHBondContact O-CB 3.35Å; E79-E83 PolarHBondContact O-N 3.33Å; E83-N85 PolarHBondContact O-N 2.93Å; E83-S86 PolarHBondContact O-N 3.49Å; E83-R87 WeakPolarHBondContact O-CG 3.49Å; E83-R87 PolarHBondContact O-N 3.32Å; E83-R87 IonicContact OE1-CZ 3.45Å; E83-R87 IonicContact OE1-NE 3.19Å; E83-R87 PolarHBondContact OE1-NE 3.18Å; E83-R87 IonicContact OE1-NH2 2.85Å; E83-R87 PolarHBondContact OE1-NH2 2.96Å
84F95.2Very high92.9Very high135 Ų13596.1 Ų96.159%0.59248%0.479SS*.Hα-helixtrans-57.5-47.7177.1176.1-95.7000111.6M80 I81 S86 R87 R88M80-F84 VanDerWaalsContact O-CB 3.3Å; M80-F84 WeakPolarHBondContact O-CB 2.91Å; M80-F84 PolarHBondContact O-N 3.42Å; I81-F84 PolarHBondContact O-N 3.26Å; F84-S86 VanDerWaalsContact C-N 3.31Å; F84-S86 PolarHBondContact O-N 2.92Å; F84-R87 PolarHBondContact O-N 2.86Å; F84-R88 WeakPolarHBondContact O-CB 3.39Å; F84-R88 PolarHBondContact O-N 3.01Å
85N94.6Very high91.9Very high50 Ų5098.5 Ų98.527%0.26748%0.484SS..Hα-helixtrans-64.1-36.3177.8-77.6-38000112.2I81 E83 R88 R89I81-N85 WeakPolarHBondContact CG2-ND2 3.38Å; I81-N85 WeakPolarHBondContact O-CB 3.43Å; I81-N85 PolarHBondContact O-N 2.92Å; I81-N85 PolarHBondContact O-ND2 3.44Å; I81-N85 VanDerWaalsContact O-ND2 3.16Å; E83-N85 PolarHBondContact O-N 2.93Å; N85-R88 PolarHBondContact O-N 3.13Å; N85-R89 WeakPolarHBondContact O-CG 3.4Å; N85-R89 PolarHBondContact O-N 3.31Å
86S94.8Very high90.9Very high43 Ų43104.1 Ų104.130%0.30150%0.502SS..Hα-helixtrans-68.7-44176.5-62.50000111.9D82 E83 F84 R88 R89 N90D82-S86 VanDerWaalsContact O-CB 3.27Å; D82-S86 WeakPolarHBondContact O-CB 3.48Å; D82-S86 PolarHBondContact O-N 2.96Å; D82-S86 PolarHBondContact O-OG 2.98Å; E83-S86 PolarHBondContact O-N 3.49Å; F84-S86 VanDerWaalsContact C-N 3.31Å; F84-S86 PolarHBondContact O-N 2.92Å; S86-R88 VanDerWaalsContact C-N 3.33Å; S86-R88 PolarHBondContact O-N 3.3Å; S86-R89 PolarHBondContact O-N 3.2Å; S86-R89 PolarHBondContact OG-NH2 3.29Å; S86-N90 WeakPolarHBondContact O-CB 3.32Å; S86-N90 VanDerWaalsContact O-CG 3.25Å; S86-N90 PolarHBondContact O-N 3.32Å; S86-N90 PolarHBondContact O-ND2 3.42Å
87R93.1Very high89.7Confident166 Ų166104.1 Ų104.163%0.62651%0.505SS*.Hα-helixtrans-59.9-43172.8-71.2174.4179.9-129.26.8111.4E83 F84 N90 S91E83-R87 WeakPolarHBondContact O-CG 3.49Å; E83-R87 PolarHBondContact O-N 3.32Å; E83-R87 IonicContact OE1-CZ 3.45Å; E83-R87 IonicContact OE1-NE 3.19Å; E83-R87 PolarHBondContact OE1-NE 3.18Å; E83-R87 IonicContact OE1-NH2 2.85Å; E83-R87 PolarHBondContact OE1-NH2 2.96Å; F84-R87 PolarHBondContact O-N 2.86Å; R87-N90 PolarHBondContact O-N 3.46Å; R87-S91 WeakPolarHBondContact O-CB 3.46Å; R87-S91 PolarHBondContact O-N 3.38Å
88R92.5Very high88.1Confident121 Ų121101.6 Ų101.646%0.45750%0.502SS..Hα-helixtrans-60.4-50.2176.4-170.2177.773.296.3-7.5111.8F84 N85 S86 N90 S91 E92F84-R88 WeakPolarHBondContact O-CB 3.39Å; F84-R88 PolarHBondContact O-N 3.01Å; N85-R88 PolarHBondContact O-N 3.13Å; S86-R88 VanDerWaalsContact C-N 3.33Å; S86-R88 PolarHBondContact O-N 3.3Å; R88-N90 PolarHBondContact O-N 3.42Å; R88-S91 PolarHBondContact O-N 2.84Å; R88-E92 WeakPolarHBondContact CG-OE1 3.35Å; R88-E92 IonicContact CZ-OE1 3.67Å; R88-E92 IonicContact NH1-OE1 2.97Å; R88-E92 PolarHBondContact NH1-OE1 3.02Å; R88-E92 IonicContact NH1-OE2 2.64Å; R88-E92 WeakPolarHBondContact O-CG 3.43Å; R88-E92 PolarHBondContact O-N 3.07Å
89R91.9Very high86.4Confident144 Ų144102.9 Ų102.954%0.54351%0.506SS..Hα-helixtrans-59.7-43.2177.3-75.2-175.5-62.9-137-1.1112.4N85 S86 E92 A93N85-R89 WeakPolarHBondContact O-CG 3.4Å; N85-R89 PolarHBondContact O-N 3.31Å; S86-R89 PolarHBondContact O-N 3.2Å; S86-R89 PolarHBondContact OG-NH2 3.29Å; R89-E92 PolarHBondContact O-N 3.3Å; R89-A93 VanDerWaalsContact O-CB 3.31Å; R89-A93 WeakPolarHBondContact O-CB 3.37Å; R89-A93 PolarHBondContact O-N 3.02Å
90N89.6Confident84.6Confident110 Ų110101.2 Ų101.259%0.58850%0.501SS*.Hα-helixtrans-65.7-40.8178.9-70-12.6000111.8S86 R87 R88 A93 S94S86-N90 WeakPolarHBondContact O-CB 3.32Å; S86-N90 VanDerWaalsContact O-CG 3.25Å; S86-N90 PolarHBondContact O-N 3.32Å; S86-N90 PolarHBondContact O-ND2 3.42Å; R87-N90 PolarHBondContact O-N 3.46Å; R88-N90 PolarHBondContact O-N 3.42Å; N90-A93 PolarHBondContact O-N 2.78Å; N90-S94 PolarHBondContact O-N 3.44Å; N90-S94 PolarHBondContact O-OG 3.43Å; N90-S94 VanDerWaalsContact O-OG 3.14Å
91S87.9Confident82.6Confident58 Ų58102.9 Ų102.941%0.40651%0.512SS..Hα-helixtrans-64.8-43.1175.1-179.50000112.2R87 R88 A93 S94 R95R87-S91 WeakPolarHBondContact O-CB 3.46Å; R87-S91 PolarHBondContact O-N 3.38Å; R88-S91 PolarHBondContact O-N 2.84Å; S91-A93 VanDerWaalsContact C-N 3.33Å; S91-A93 PolarHBondContact O-N 2.95Å; S91-S94 PolarHBondContact O-N 2.83Å; S91-R95 WeakPolarHBondContact O-CG 3.48Å; S91-R95 PolarHBondContact O-N 3.39Å; S91-R95 VanDerWaalsContact O-N 3.1Å
92E84.9Confident80.3Confident75 Ų75104.6 Ų104.635%0.3552%0.522SS..Hα-helixtrans-63.4-39.1174.8-72.9170.8-172.800111.8R88 R89 R95 Q96R88-E92 WeakPolarHBondContact CG-OE1 3.35Å; R88-E92 IonicContact CZ-OE1 3.67Å; R88-E92 IonicContact NH1-OE1 2.97Å; R88-E92 PolarHBondContact NH1-OE1 3.02Å; R88-E92 IonicContact NH1-OE2 2.64Å; R88-E92 WeakPolarHBondContact O-CG 3.43Å; R88-E92 PolarHBondContact O-N 3.07Å; R89-E92 PolarHBondContact O-N 3.3Å; E92-R95 PolarHBondContact O-N 3.48Å; E92-Q96 WeakPolarHBondContact O-CG 3.25Å; E92-Q96 PolarHBondContact O-N 3.42Å
93A80.2Confident78.1Confident42 Ų42106.2 Ų106.235%0.34754%0.535SS..Hα-helixtrans-65.9-43.8175.300000112.3R89 N90 S91 R95 Q96 L97R89-A93 VanDerWaalsContact O-CB 3.31Å; R89-A93 WeakPolarHBondContact O-CB 3.37Å; R89-A93 PolarHBondContact O-N 3.02Å; N90-A93 PolarHBondContact O-N 2.78Å; S91-A93 VanDerWaalsContact C-N 3.33Å; S91-A93 PolarHBondContact O-N 2.95Å; A93-R95 VanDerWaalsContact C-N 3.28Å; A93-R95 PolarHBondContact O-N 3.47Å; A93-Q96 PolarHBondContact O-N 3.42Å; A93-Q96 VanDerWaalsContact O-N 3.16Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 2.94Å
94S80.9Confident75.7Confident49 Ų49109.3 Ų109.334%0.34355%0.549SS..Hα-helixtrans-59.5-38.9175.4-65.20000112.4N90 S91 L97 G98 L99N90-S94 PolarHBondContact O-N 3.44Å; N90-S94 PolarHBondContact O-OG 3.43Å; N90-S94 VanDerWaalsContact O-OG 3.14Å; S91-S94 PolarHBondContact O-N 2.83Å; S94-L97 PolarHBondContact O-N 3.01Å; S94-G98 PolarHBondContact O-N 2.86Å; S94-L99 PolarHBondContact O-N 3.11Å
95R76.1Confident73.5Confident172 Ų172108.5 Ų108.565%0.64956%0.558SS**Hα-helixtrans-65.3-43.2173.7-74.6177.3176.2-178.71.1112.3S91 E92 A93 L97 G98 D100S91-R95 WeakPolarHBondContact O-CG 3.48Å; S91-R95 PolarHBondContact O-N 3.39Å; S91-R95 VanDerWaalsContact O-N 3.1Å; E92-R95 PolarHBondContact O-N 3.48Å; A93-R95 VanDerWaalsContact C-N 3.28Å; A93-R95 PolarHBondContact O-N 3.47Å; R95-L97 VanDerWaalsContact C-N 3.31Å; R95-L97 PolarHBondContact O-N 3.33Å; R95-G98 PolarHBondContact O-N 2.88Å; R95-G98 VanDerWaalsContact O-N 3.17Å; R95-D100 VanDerWaalsContact CG-OD2 3.31Å; R95-D100 WeakPolarHBondContact CG-OD2 3.39Å
96Q75.4Confident71.2Confident168 Ų168109.4 Ų109.479%0.78558%0.578SS**Hα-helixtrans-67.3-30.8177.3-73176.538.800112.9E92 A93 G98E92-Q96 WeakPolarHBondContact O-CG 3.25Å; E92-Q96 PolarHBondContact O-N 3.42Å; A93-Q96 PolarHBondContact O-N 3.42Å; A93-Q96 VanDerWaalsContact O-N 3.16Å; Q96-G98 PolarHBondContact O-N 3.5Å
97L72.7Confident69Low131 Ų131116.7 Ų116.769%0.68660%0.601SS**THydrogen-bonded Turntrans-76.3-0.8174.4-69.9171000113.4A93 S94 R95 L99A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 2.94Å; S94-L97 PolarHBondContact O-N 3.01Å; R95-L97 VanDerWaalsContact C-N 3.31Å; R95-L97 PolarHBondContact O-N 3.33Å; L97-L99 HydrophobicContact CB-CD1 4.11Å; L97-L99 HydrophobicContact CB-CG 4.03Å; L97-L99 HydrophobicContact CD1-CD1 4.3Å; L97-L99 PolarHBondContact O-N 2.99Å
98G62.9Low67.1Low40 Ų40116.1 Ų116.141%0.41261%0.61SS.*THydrogen-bonded Turntrans65.719.1179.200000114S94 R95 Q96 D100 D101S94-G98 PolarHBondContact O-N 2.86Å; R95-G98 PolarHBondContact O-N 2.88Å; R95-G98 VanDerWaalsContact O-N 3.17Å; Q96-G98 PolarHBondContact O-N 3.5Å; G98-D100 VanDerWaalsContact C-N 3.26Å; G98-D100 PolarHBondContact O-N 2.9Å; G98-D101 PolarHBondContact O-N 3.32Å
99L61Low65.1Low106 Ų106117.6 Ų117.656%0.55562%0.622SS**G310 helixtrans-73.8-16.9-177.1-69.2171.8000113.1S94 L97S94-L99 PolarHBondContact O-N 3.11Å; L97-L99 HydrophobicContact CB-CD1 4.11Å; L97-L99 HydrophobicContact CB-CG 4.03Å; L97-L99 HydrophobicContact CD1-CD1 4.3Å; L97-L99 PolarHBondContact O-N 2.99Å
100D57.5Low63.1Low103 Ų103117.2 Ų117.255%0.55163%0.631SS**G310 helixtrans-79.5-14.7176.7-74.8-22.5000113.1R95 G98R95-D100 VanDerWaalsContact CG-OD2 3.31Å; R95-D100 WeakPolarHBondContact CG-OD2 3.39Å; G98-D100 VanDerWaalsContact C-N 3.26Å; G98-D100 PolarHBondContact O-N 2.9Å
101D55.2Low61.4Low155 Ų155117.7 Ų117.783%0.82964%0.64SS**G310 helixtrans-921.9-177.2-126.213.1000113.6G98G98-D101 PolarHBondContact O-N 3.32Å
102L48.5Very low59.8Low135 Ų135120.9 Ų120.971%0.70765%0.652SS**G310 helixtrans-97.319.8178.9-93.6156.6000113.8Q104L102-Q104 PolarHBondContact O-N 3.25Å
103V49Very low58.7Low126 Ų126121.7 Ų121.776%0.76467%0.672SS**  trans-76.377.1154.3-173.30000107P105V103-P105 VanDerWaalsContact O-CD 3.3Å; V103-P105 WeakPolarHBondContact O-CD 3.43Å; V103-P105 VanDerWaalsContact O-N 3.15Å
104Q46Very low57.3Low167 Ų167125.2 Ų125.278%0.7869%0.69SS**PPolyproline II helixtrans-55.1119.3162.8-102.4-174.7-2200107.3L102 G106L102-Q104 PolarHBondContact O-N 3.25Å; Q104-G106 PolarHBondContact O-N 2.84Å
105P48Very low55.5Low118 Ų118127.2 Ų127.277%0.76670%0.704SS**PPolyproline II helixtrans-57.6134.217522-30.3000108.7V103 Y107V103-P105 VanDerWaalsContact O-CD 3.3Å; V103-P105 WeakPolarHBondContact O-CD 3.43Å; V103-P105 VanDerWaalsContact O-N 3.15Å; P105-Y107 PolarHBondContact O-N 3.14Å
106G48.1Very low54.4Low68 Ų68132.2 Ų132.270%0.70173%0.73SS**SBendtrans-46.6129.6-174.700000112.3Q104 D108Q104-G106 PolarHBondContact O-N 2.84Å; G106-D108 PolarHBondContact O-N 3.44Å
107Y47.8Very low53.3Low197 Ų197130.4 Ų130.477%0.77373%0.728SS**  trans18.793.9150.5-70.7-84.4000115.1P105 Q109P105-Y107 PolarHBondContact O-N 3.14Å; Y107-Q109 HydrophobicContact CD1-CG 4.36Å; Y107-Q109 PolarHBondContact O-N 2.87Å
108D52.8Low52.3Low154 Ų154130.4 Ų130.482%0.82473%0.73SS**  trans-53.890.5143.9-165.16.9000107.7G106G106-D108 PolarHBondContact O-N 3.44Å
109Q50.7Low51.7Low151 Ų151135.4 Ų135.471%0.70675%0.747SS**  trans-11494.7170.8-88.1-170.416.400109.7Y107Y107-Q109 HydrophobicContact CD1-CG 4.36Å; Y107-Q109 PolarHBondContact O-N 2.87Å
110N49.4Very low51.1Low137 Ų137137.1 Ų137.173%0.73376%0.759SS**  trans70.796.6148.1-82.3-9.3000119
111P55.3Low50.7Low119 Ų119139.3 Ų139.377%0.77377%0.772SS**  trans-9091.8132.234.2-20.1000107.9
112D54.4Low50.4Low125 Ų125138.2 Ų138.267%0.66877%0.768SS**  trans-118.9101.3160.3-146-6.6000110.4T114D112-T114 PolarHBondContact O-N 3.42Å
113A60.3Low50.6Low92 Ų92138.4 Ų138.476%0.7677%0.772SS**  trans-89.574.4171.900000108.7
114T50.5Low50.7Low117 Ų117139.4 Ų139.472%0.71877%0.773SS**  trans-86.89515027.90000105.9D112D112-T114 PolarHBondContact O-N 3.42Å
115S44.8Very low51.1Low91 Ų91137.1 Ų137.164%0.63677%0.772SS**  43.373.666.1-157.80000110.5
116F51.1Low51.4Low276 Ų276138.8 Ų138.8100%1.21177%0.773SS**  -179.50118.6-90.9-70.8000109.3

Retrieved 116 of 116 residues in 274.8 ms (Link to these results)