A0A087YDK8_POEFO Loading...

Death effector domain-containing 1

AlphaFold DB , UniProt , Accession A0A087YDK8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 246 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
1M39.3Very low44.2Very low248 Ų248150.3 Ų150.3100%1.22281%0.814SS**  0119.70-61.8-158.5-146.900107.6
2A36.8Very low44.5Very low101 Ų101157.4 Ų157.484%0.83582%0.82SS**  trans-82124.9-174.300000110.6V4A2-V4 PolarHBondContact O-N 3.44Å
3A42Very low45Very low95 Ų95155.4 Ų155.479%0.78581%0.811SS**  trans-83.1108.7170.500000108.5Q5A3-Q5 PolarHBondContact O-N 3.36Å; A3-Q5 VanDerWaalsContact O-N 3.17Å
4V47.2Very low45.5Very low104 Ų104149.2 Ų149.263%0.6379%0.788SS**  trans-72.6104.5173.2179.20000107.6A2 Y6A2-V4 PolarHBondContact O-N 3.44Å; V4-Y6 HydrophobicContact CB-CE2 4.29Å; V4-Y6 HydrophobicContact CG1-CD2 4.14Å; V4-Y6 HydrophobicContact CG1-CE1 4.5Å; V4-Y6 HydrophobicContact CG1-CE2 3.83Å; V4-Y6 PolarHBondContact O-N 3.28Å; V4-Y6 VanDerWaalsContact O-N 3.16Å
5Q43.9Very low45.9Very low173 Ų173150.3 Ų150.381%0.80879%0.793SS**  trans-71.5101.5168.2-71.3-179.7-12.200108.3A3 Q7A3-Q5 PolarHBondContact O-N 3.36Å; A3-Q5 VanDerWaalsContact O-N 3.17Å; Q5-Q7 VanDerWaalsContact C-N 3.35Å; Q5-Q7 PolarHBondContact O-N 2.95Å
6Y40.8Very low46.5Very low205 Ų205149.4 Ų149.480%0.80478%0.783SS**  trans-70.498.2162.4-71.1-84.9000107.3V4 G8V4-Y6 HydrophobicContact CB-CE2 4.29Å; V4-Y6 HydrophobicContact CG1-CD2 4.14Å; V4-Y6 HydrophobicContact CG1-CE1 4.5Å; V4-Y6 HydrophobicContact CG1-CE2 3.83Å; V4-Y6 PolarHBondContact O-N 3.28Å; V4-Y6 VanDerWaalsContact O-N 3.16Å; Y6-G8 PolarHBondContact O-N 3.18Å
7Q44.3Very low47.2Very low179 Ų179151.6 Ų151.684%0.83678%0.778SS**  trans-60.3106.2164.6-78.7-176-11.200107.7Q5 R9Q5-Q7 VanDerWaalsContact C-N 3.35Å; Q5-Q7 PolarHBondContact O-N 2.95Å; Q7-R9 PolarHBondContact O-N 3.23Å
8G44.4Very low48.8Very low73 Ų73147.2 Ų147.275%0.75376%0.756SS**  trans-59.2103.7167.500000108.7Y6 P10Y6-G8 PolarHBondContact O-N 3.18Å; G8-P10 WeakPolarHBondContact O-CD 3.4Å
9R44.3Very low50.1Low230 Ų230148 Ų14887%0.86876%0.757SS**  trans-60123.3159.9-90.9-177.7175.2-118.80.2106.7Q7 I11Q7-R9 PolarHBondContact O-N 3.23Å; R9-I11 PolarHBondContact O-N 3.08Å
10P49Very low51.3Low114 Ų114143.8 Ų143.874%0.7474%0.738SS**  trans-65.3114.1166.826.8-29.7000106.5G8 R12G8-P10 WeakPolarHBondContact O-CD 3.4Å; P10-R12 PolarHBondContact O-N 2.94Å
11I54.1Low52.8Low131 Ų131142.2 Ų142.267%0.67273%0.728SS**  trans-53.989.1168.3-65.4177.5000107.1R9 D13R9-I11 PolarHBondContact O-N 3.08Å; I11-D13 HydrophobicContact CG2-CB 3.53Å; I11-D13 VanDerWaalsContact CG2-OD1 3.29Å; I11-D13 WeakPolarHBondContact CG2-OD1 3.46Å; I11-D13 WeakPolarHBondContact CG2-OD2 3.42Å; I11-D13 PolarHBondContact O-N 3.29Å; I11-D13 VanDerWaalsContact O-N 3.09Å
12R47.7Very low54.8Low236 Ų236132.6 Ų132.689%0.89168%0.684SS**  trans-79.460.6160-70.3-174.7101.1-155.68.3106.8P10 S14P10-R12 PolarHBondContact O-N 2.94Å; R12-S14 PolarHBondContact O-N 3.15Å
13D50.7Low57.1Low131 Ų131130 Ų13070%0.70166%0.656SS**  trans-70.387.1172.2-79.4-4.5000107.3I11 L15I11-D13 HydrophobicContact CG2-CB 3.53Å; I11-D13 VanDerWaalsContact CG2-OD1 3.29Å; I11-D13 WeakPolarHBondContact CG2-OD1 3.46Å; I11-D13 WeakPolarHBondContact CG2-OD2 3.42Å; I11-D13 PolarHBondContact O-N 3.29Å; I11-D13 VanDerWaalsContact O-N 3.09Å; D13-L15 PolarHBondContact O-N 3.31Å
14S52.1Low59.1Low69 Ų69128.9 Ų128.948%0.48364%0.637SS.*  37.987.5122.7-1560000114.5R12 H16R12-S14 PolarHBondContact O-N 3.15Å; S14-H16 VanDerWaalsContact CB-ND1 3.28Å; S14-H16 WeakPolarHBondContact CB-ND1 3.37Å; S14-H16 PolarHBondContact O-N 3.31Å; S14-H16 PolarHBondContact O-ND1 3.22Å; S14-H16 VanDerWaalsContact OG-CB 3.28Å; S14-H16 WeakPolarHBondContact OG-CB 3.41Å; S14-H16 PolarHBondContact OG-ND1 3.48Å
15L51.6Low60.9Low166 Ų166132.4 Ų132.487%0.86964%0.64SS**  trans-64.936.6153.7-68.5165.8000111.3D13 W17D13-L15 PolarHBondContact O-N 3.31Å; L15-W17 PolarHBondContact O-N 2.68Å
16H55.4Low62.9Low136 Ų136132 Ų13263%0.6363%0.633SS**  trans-75.7101.2161.975.4-41.9000105.9S14 D18S14-H16 VanDerWaalsContact CB-ND1 3.28Å; S14-H16 WeakPolarHBondContact CB-ND1 3.37Å; S14-H16 PolarHBondContact O-N 3.31Å; S14-H16 PolarHBondContact O-ND1 3.22Å; S14-H16 VanDerWaalsContact OG-CB 3.28Å; S14-H16 WeakPolarHBondContact OG-CB 3.41Å; S14-H16 PolarHBondContact OG-ND1 3.48Å; H16-D18 PolarHBondContact O-N 2.91Å
17W58.5Low65Low186 Ų186122.4 Ų122.471%0.70560%0.596SS**  trans-71.3118.1158.5-69.5101.5000105.5L15 E19 C22L15-W17 PolarHBondContact O-N 2.68Å; W17-E19 PolarHBondContact O-N 3.39Å; W17-C22 VanDerWaalsContact CB-SG 3.57Å
18D76.1Confident67.1Low72 Ų72117.3 Ų117.339%0.38557%0.573SS.*  trans-57124.2169.1-177.1-12.8000107.2H16 T20 E21 C22H16-D18 PolarHBondContact O-N 2.91Å; D18-T20 PolarHBondContact O-N 3.26Å; D18-T20 VanDerWaalsContact O-N 3.11Å; D18-T20 PolarHBondContact OD1-N 3.02Å; D18-T20 VanDerWaalsContact OD1-N 3.1Å; D18-T20 PolarHBondContact OD1-OG1 3.45Å; D18-T20 PolarHBondContact OD2-OG1 2.94Å; D18-T20 VanDerWaalsContact OD2-OG1 3.06Å; D18-E21 HydrophobicContact CB-CB 4.18Å; D18-E21 HydrophobicContact CB-CG 3.91Å; D18-E21 WeakPolarHBondContact O-CB 3.26Å; D18-E21 PolarHBondContact O-N 3.43Å; D18-C22 PolarHBondContact O-N 3.43Å; D18-C22 VanDerWaalsContact O-N 3.12Å
19E73.5Confident69.2Low163 Ų163115.1 Ų115.176%0.76254%0.544SS*.Hα-helixtrans-55.3-31.8-177.1-65.3178.3173.600110.6W17 L23W17-E19 PolarHBondContact O-N 3.39Å; E19-L23 WeakPolarHBondContact O-CG 3.43Å; E19-L23 PolarHBondContact O-N 3.41Å; E19-L23 VanDerWaalsContact O-N 3.14Å
20T74.8Confident71.5Confident64 Ų64105.1 Ų105.139%0.39351%0.509SS..Hα-helixtrans-71-36.9176.465.90000112.9D18 L23 N24D18-T20 PolarHBondContact O-N 3.26Å; D18-T20 VanDerWaalsContact O-N 3.11Å; D18-T20 PolarHBondContact OD1-N 3.02Å; D18-T20 VanDerWaalsContact OD1-N 3.1Å; D18-T20 PolarHBondContact OD1-OG1 3.45Å; D18-T20 PolarHBondContact OD2-OG1 2.94Å; D18-T20 VanDerWaalsContact OD2-OG1 3.06Å; T20-L23 PolarHBondContact O-N 2.98Å; T20-N24 WeakPolarHBondContact O-CB 3.49Å; T20-N24 PolarHBondContact O-N 3.42Å; T20-N24 PolarHBondContact O-ND2 2.7Å
21E81.4Confident73.6Confident111 Ų11199.9 Ų99.952%0.51948%0.475SS..Hα-helixtrans-66.2-39.7175-72.8-176.4173.700111.5D18 N24 Y25D18-E21 HydrophobicContact CB-CB 4.18Å; D18-E21 HydrophobicContact CB-CG 3.91Å; D18-E21 WeakPolarHBondContact O-CB 3.26Å; D18-E21 PolarHBondContact O-N 3.43Å; E21-N24 PolarHBondContact O-N 2.93Å; E21-Y25 WeakPolarHBondContact O-CB 3Å; E21-Y25 PolarHBondContact O-N 2.94Å
22C81.6Confident75.5Confident45 Ų4598 Ų9830%0.30446%0.463SS..Hα-helixtrans-59.5-50.4173.9-74.30000111.5W17 D18 N24 Y25 Y26W17-C22 VanDerWaalsContact CB-SG 3.57Å; D18-C22 PolarHBondContact O-N 3.43Å; D18-C22 VanDerWaalsContact O-N 3.12Å; C22-N24 VanDerWaalsContact C-N 3.3Å; C22-N24 PolarHBondContact O-N 3.44Å; C22-Y25 WeakPolarHBondContact O-CB 3.35Å; C22-Y25 PolarHBondContact O-N 3.1Å; C22-Y26 WeakPolarHBondContact O-CD2 3.47Å; C22-Y26 PolarHBondContact O-N 3.29Å; C22-Y26 VanDerWaalsContact O-N 3.13Å
23L85.7Confident77.7Confident47 Ų4789.2 Ų89.225%0.24643%0.432CS..Hα-helixtrans-59.4-44.3178.1-69.1171.4000110.7E19 T20 Y25 Y26 G27 M28E19-L23 WeakPolarHBondContact O-CG 3.43Å; E19-L23 PolarHBondContact O-N 3.41Å; E19-L23 VanDerWaalsContact O-N 3.14Å; T20-L23 PolarHBondContact O-N 2.98Å; L23-Y25 PolarHBondContact O-N 3.05Å; L23-Y26 CarbonylContact O-C 3.55Å; L23-Y26 PolarHBondContact O-N 3.3Å; L23-G27 PolarHBondContact O-N 2.94Å; L23-M28 HydrophobicContact CB-CB 4.19Å; L23-M28 HydrophobicContact CD2-CB 3.79Å; L23-M28 HydrophobicContact CD2-CE 4.19Å; L23-M28 HydrophobicContact CD2-SD 4.36Å; L23-M28 PolarHBondContact O-N 2.91Å
24N84.2Confident79.8Confident71 Ų7183 Ų8338%0.3840%0.399SS..Hα-helixtrans-61.2-43177.9-80.3-30.6000113.2T20 E21 C22 Y26 G27 K154 R156T20-N24 WeakPolarHBondContact O-CB 3.49Å; T20-N24 PolarHBondContact O-N 3.42Å; T20-N24 PolarHBondContact O-ND2 2.7Å; E21-N24 PolarHBondContact O-N 2.93Å; C22-N24 VanDerWaalsContact C-N 3.3Å; C22-N24 PolarHBondContact O-N 3.44Å; N24-Y26 PolarHBondContact O-N 3.3Å; N24-G27 PolarHBondContact O-N 2.97Å; N24-K154 PolarHBondContact OD1-NZ 3.12Å; N24-R156 PolarHBondContact O-NH2 2.76Å
25Y85Confident81.8Confident179 Ų17979.7 Ų79.770%0.70238%0.376SS*.Hα-helixtrans-56.6-48.2175.2178-96.9000111.5E21 C22 L23 G27E21-Y25 WeakPolarHBondContact O-CB 3Å; E21-Y25 PolarHBondContact O-N 2.94Å; C22-Y25 WeakPolarHBondContact O-CB 3.35Å; C22-Y25 PolarHBondContact O-N 3.1Å; L23-Y25 PolarHBondContact O-N 3.05Å; Y25-G27 PolarHBondContact O-N 2.99Å
26Y85.1Confident83.9Confident165 Ų16577.1 Ų77.165%0.64736%0.359SS*.Hα-helixtrans-76.6-2.1177.4-67-66.5000114.1C22 L23 N24 M28C22-Y26 WeakPolarHBondContact O-CD2 3.47Å; C22-Y26 PolarHBondContact O-N 3.29Å; C22-Y26 VanDerWaalsContact O-N 3.13Å; L23-Y26 CarbonylContact O-C 3.55Å; L23-Y26 PolarHBondContact O-N 3.3Å; N24-Y26 PolarHBondContact O-N 3.3Å; Y26-M28 VanDerWaalsContact C-N 3.32Å
27G85.7Confident85.8Confident3 Ų373 Ų733%0.03134%0.344CS..THydrogen-bonded Turntrans67.935.6-177.700000112.7L23 N24 Y25 K154L23-G27 PolarHBondContact O-N 2.94Å; N24-G27 PolarHBondContact O-N 2.97Å; Y25-G27 PolarHBondContact O-N 2.99Å; G27-K154 WeakPolarHBondContact O-CB 2.91Å; G27-K154 WeakPolarHBondContact O-CG 3.29Å; G27-K154 PolarHBondContact O-N 3.42Å
28M88.6Confident87.5Confident71 Ų7164.2 Ų64.235%0.3531%0.31SS..BIsolated β-bridgetrans-101.6157174-65.4179.563.100111.2L23 Y26 H152 K154L23-M28 HydrophobicContact CB-CB 4.19Å; L23-M28 HydrophobicContact CD2-CB 3.79Å; L23-M28 HydrophobicContact CD2-CE 4.19Å; L23-M28 HydrophobicContact CD2-SD 4.36Å; L23-M28 PolarHBondContact O-N 2.91Å; Y26-M28 VanDerWaalsContact C-N 3.32Å; M28-H152 CarbonylContact C-O 3.6Å; M28-H152 WeakPolarHBondContact CA-O 3.44Å; M28-H152 WeakPolarHBondContact CB-O 3.28Å; M28-H152 HydrophobicContact CE-CB 3.83Å; M28-K154 WeakPolarHBondContact O-CE 3.43Å
29L88.9Confident88.5Confident27 Ų2761 Ų6114%0.14129%0.294CS..PPolyproline II helixtrans-100.3140.3169.6-69163.8000108.2E33 H152 K154L29-E33 WeakPolarHBondContact CA-OE2 3.25Å; L29-E33 HydrophobicContact CB-CB 4.35Å; L29-E33 HydrophobicContact CD2-CB 3.8Å; L29-E33 HydrophobicContact CD2-CG 4.49Å; L29-H152 PolarHBondContact N-O 2.85Å; L29-H152 PolarHBondContact O-ND1 3.33Å; L29-K154 HydrophobicContact CD1-CG 4.38Å; L29-K154 HydrophobicContact CD2-CD 4.2Å; L29-K154 HydrophobicContact CD2-CG 3.94Å; L29-K154 HydrophobicContact CG-CD 4.39Å; L29-K154 HydrophobicContact CG-CG 3.67Å
30S91.6Very high89.5Confident21 Ų2157.7 Ų57.715%0.14729%0.289CS..PPolyproline II helixtrans-64160.2159.962.90000111H32 E33 M34S30-H32 PolarHBondContact O-N 3.24Å; S30-E33 WeakPolarHBondContact CB-OE2 3.37Å; S30-E33 PolarHBondContact N-OE2 2.88Å; S30-E33 PolarHBondContact O-N 3.44Å; S30-E33 WeakPolarHBondContact OG-CB 3.39Å; S30-E33 WeakPolarHBondContact OG-CG 3.41Å; S30-E33 PolarHBondContact OG-N 3.2Å; S30-E33 PolarHBondContact OG-OE2 3.48Å; S30-M34 PolarHBondContact O-N 3.37Å; S30-M34 VanDerWaalsContact O-N 3.08Å
31L93.2Very high90.5Very high3 Ų357.6 Ų57.62%0.01628%0.284CS..Hα-helixtrans-51.9-47.4173.5-16758.1000111.8M34 F35 E121 D128 L131L31-M34 HydrophobicContact CD1-CE 3.65Å; L31-M34 CarbonylContact O-C 3.33Å; L31-M34 WeakPolarHBondContact O-CA 3.32Å; L31-M34 WeakPolarHBondContact O-CB 3.38Å; L31-M34 PolarHBondContact O-N 2.71Å; L31-M34 VanDerWaalsContact O-N 3.14Å; L31-F35 HydrophobicContact CD1-CD1 4.49Å; L31-F35 HydrophobicContact CD1-CE1 3.77Å; L31-F35 HydrophobicContact CD1-CZ 3.78Å; L31-F35 HydrophobicContact CD2-CE2 4.12Å; L31-F35 HydrophobicContact CD2-CZ 3.92Å; L31-F35 HydrophobicContact CG-CD2 4.43Å; L31-F35 HydrophobicContact CG-CE1 3.99Å; L31-F35 HydrophobicContact CG-CE2 3.87Å; L31-F35 HydrophobicContact CG-CZ 3.62Å; L31-F35 WeakPolarHBondContact O-CG 3.46Å; L31-F35 PolarHBondContact O-N 2.91Å; L31-E121 HydrophobicContact CD2-CG 4.1Å; L31-E121 WeakPolarHBondContact CD2-OE1 3.42Å; L31-D128 VanDerWaalsContact CB-OD1 3.27Å; L31-D128 WeakPolarHBondContact CB-OD1 3.46Å; L31-L131 HydrophobicContact CD1-CD2 3.69Å
32H94.5Very high91.2Very high92 Ų9253 Ų5343%0.42626%0.264SS..Hα-helixtrans-68.1-41.1-174.9-55.8123000112S30 M34 F35 E36 E121S30-H32 PolarHBondContact O-N 3.24Å; H32-M34 VanDerWaalsContact C-N 3.26Å; H32-M34 PolarHBondContact O-N 2.76Å; H32-F35 WeakPolarHBondContact O-CB 3.48Å; H32-F35 PolarHBondContact O-N 3.05Å; H32-F35 VanDerWaalsContact O-N 3.14Å; H32-E36 WeakPolarHBondContact O-CG 3.34Å; H32-E36 PolarHBondContact O-N 3.22Å; H32-E121 IonicContact CD2-OE2 3.74Å; H32-E121 IonicContact NE2-OE1 3.6Å; H32-E121 IonicContact NE2-OE2 3.31Å; H32-E121 PolarHBondContact NE2-OE2 2.81Å
33E93.1Very high91.8Very high52 Ų5253.8 Ų53.824%0.24327%0.267CS..Hα-helixtrans-60.5-38.3171.7-74.9169.9113.500111.1L29 S30 E36 V37 K154L29-E33 WeakPolarHBondContact CA-OE2 3.25Å; L29-E33 HydrophobicContact CB-CB 4.35Å; L29-E33 HydrophobicContact CD2-CB 3.8Å; L29-E33 HydrophobicContact CD2-CG 4.49Å; S30-E33 WeakPolarHBondContact CB-OE2 3.37Å; S30-E33 PolarHBondContact N-OE2 2.88Å; S30-E33 PolarHBondContact O-N 3.44Å; S30-E33 WeakPolarHBondContact OG-CB 3.39Å; S30-E33 WeakPolarHBondContact OG-CG 3.41Å; S30-E33 PolarHBondContact OG-N 3.2Å; S30-E33 PolarHBondContact OG-OE2 3.48Å; E33-E36 PolarHBondContact O-N 3.12Å; E33-V37 WeakPolarHBondContact O-CG2 2.95Å; E33-V37 PolarHBondContact O-N 3Å; E33-V37 VanDerWaalsContact O-N 3.15Å; E33-K154 IonicContact OE1-NZ 3.14Å; E33-K154 PolarHBondContact OE1-NZ 2.94Å
34M94.5Very high92.2Very high0 Ų058.1 Ų58.10%029%0.286CS..Hα-helixtrans-65.7-40.7175.2-179.9-82.7-6000111.5S30 L31 H32 E36 V37 V38 L131 L134 F149 V150S30-M34 PolarHBondContact O-N 3.37Å; S30-M34 VanDerWaalsContact O-N 3.08Å; L31-M34 HydrophobicContact CD1-CE 3.65Å; L31-M34 CarbonylContact O-C 3.33Å; L31-M34 WeakPolarHBondContact O-CA 3.32Å; L31-M34 WeakPolarHBondContact O-CB 3.38Å; L31-M34 PolarHBondContact O-N 2.71Å; L31-M34 VanDerWaalsContact O-N 3.14Å; H32-M34 VanDerWaalsContact C-N 3.26Å; H32-M34 PolarHBondContact O-N 2.76Å; M34-E36 VanDerWaalsContact C-N 3.31Å; M34-E36 PolarHBondContact O-N 3.16Å; M34-V37 PolarHBondContact O-N 3.16Å; M34-V38 HydrophobicContact CG-CG2 4.37Å; M34-V38 WeakPolarHBondContact O-CG2 3.47Å; M34-V38 PolarHBondContact O-N 3.31Å; M34-V38 HydrophobicContact SD-CB 4.44Å; M34-V38 HydrophobicContact SD-CG2 3.74Å; M34-L131 HydrophobicContact CE-CD1 3.99Å; M34-L131 HydrophobicContact CE-CD2 3.72Å; M34-L134 HydrophobicContact CE-CD2 4.15Å; M34-L134 HydrophobicContact SD-CD2 4.05Å; M34-F149 WeakPolarHBondContact CG-O 3.49Å; M34-V150 HydrophobicContact SD-CG1 4.48Å
35F95.9Very high92.7Very high0 Ų058.4 Ų58.40%029%0.293CS..Hα-helixtrans-62.5-35.9174.1-69.3-11.6000112.8L31 H32 G39 L114 L117 L118 E121 L126 L134L31-F35 HydrophobicContact CD1-CD1 4.49Å; L31-F35 HydrophobicContact CD1-CE1 3.77Å; L31-F35 HydrophobicContact CD1-CZ 3.78Å; L31-F35 HydrophobicContact CD2-CE2 4.12Å; L31-F35 HydrophobicContact CD2-CZ 3.92Å; L31-F35 HydrophobicContact CG-CD2 4.43Å; L31-F35 HydrophobicContact CG-CE1 3.99Å; L31-F35 HydrophobicContact CG-CE2 3.87Å; L31-F35 HydrophobicContact CG-CZ 3.62Å; L31-F35 WeakPolarHBondContact O-CG 3.46Å; L31-F35 PolarHBondContact O-N 2.91Å; H32-F35 WeakPolarHBondContact O-CB 3.48Å; H32-F35 PolarHBondContact O-N 3.05Å; H32-F35 VanDerWaalsContact O-N 3.14Å; F35-G39 VanDerWaalsContact O-CA 3.23Å; F35-G39 WeakPolarHBondContact O-CA 3.44Å; F35-G39 PolarHBondContact O-N 2.93Å; F35-L114 HydrophobicContact CB-CD1 3.7Å; F35-L117 HydrophobicContact CB-CB 4.12Å; F35-L117 HydrophobicContact CB-CD1 4Å; F35-L117 HydrophobicContact CD1-CB 3.95Å; F35-L117 HydrophobicContact CD1-CD1 3.96Å; F35-L117 HydrophobicContact CD1-CG 4.42Å; F35-L117 HydrophobicContact CD2-CB 3.93Å; F35-L117 HydrophobicContact CE1-CB 4.29Å; F35-L117 HydrophobicContact CE2-CB 4.27Å; F35-L117 HydrophobicContact CG-CB 3.76Å; F35-L117 HydrophobicContact CG-CD1 4.14Å; F35-L117 HydrophobicContact CZ-CB 4.45Å; F35-L118 HydrophobicContact CD2-CD2 3.99Å; F35-L118 HydrophobicContact CD2-CG 4.41Å; F35-L118 HydrophobicContact CE2-CD2 4.43Å; F35-E121 HydrophobicContact CE2-CB 3.93Å; F35-E121 WeakPolarHBondContact CE2-OE2 3.46Å; F35-E121 HydrophobicContact CZ-CB 4.25Å; F35-L126 HydrophobicContact CE1-CD1 3.92Å; F35-L126 HydrophobicContact CZ-CB 4.1Å; F35-L126 HydrophobicContact CZ-CD1 3.84Å; F35-L134 HydrophobicContact CE1-CD2 4.39Å
36E95.4Very high93.1Very high112 Ų11250.5 Ų50.552%0.52326%0.263SS..Hα-helixtrans-63.3-45.4173.6-71.2177.7-177.200111.4H32 E33 M34 S40 L114H32-E36 WeakPolarHBondContact O-CG 3.34Å; H32-E36 PolarHBondContact O-N 3.22Å; E33-E36 PolarHBondContact O-N 3.12Å; M34-E36 VanDerWaalsContact C-N 3.31Å; M34-E36 PolarHBondContact O-N 3.16Å; E36-S40 VanDerWaalsContact O-CB 3.23Å; E36-S40 WeakPolarHBondContact O-CB 3.46Å; E36-S40 PolarHBondContact O-N 3.15Å; E36-S40 PolarHBondContact O-OG 3.23Å; E36-L114 HydrophobicContact CG-CD1 3.96Å; E36-L114 HydrophobicContact CG-CD2 4.06Å
37V94.3Very high93.5Very high50 Ų5043.5 Ų43.530%0.30324%0.237SC..Hα-helixtrans-66.4-42.8-179.7174.10000112.2E33 M34 S40 Q41 F149E33-V37 WeakPolarHBondContact O-CG2 2.95Å; E33-V37 PolarHBondContact O-N 3Å; E33-V37 VanDerWaalsContact O-N 3.15Å; M34-V37 PolarHBondContact O-N 3.16Å; V37-S40 PolarHBondContact O-OG 2.95Å; V37-Q41 WeakPolarHBondContact O-CG 3.36Å; V37-Q41 PolarHBondContact O-NE2 3.01Å; V37-F149 HydrophobicContact CG1-CB 4.06Å; V37-F149 HydrophobicContact CG1-CD1 3.69Å; V37-F149 HydrophobicContact CG1-CE1 4.41Å; V37-F149 HydrophobicContact CG1-CG 4.05Å
38V95.3Very high93.8Very high0 Ų048.1 Ų48.10%026%0.258CS..Hα-helixtrans-76.9-46.4179.8175.30000110.4M34 S40 Q41 L42 L117 L138 L146 F149 V150M34-V38 HydrophobicContact CG-CG2 4.37Å; M34-V38 WeakPolarHBondContact O-CG2 3.47Å; M34-V38 PolarHBondContact O-N 3.31Å; M34-V38 HydrophobicContact SD-CB 4.44Å; M34-V38 HydrophobicContact SD-CG2 3.74Å; V38-S40 VanDerWaalsContact C-N 3.33Å; V38-S40 PolarHBondContact O-N 2.9Å; V38-Q41 PolarHBondContact O-N 2.95Å; V38-L42 PolarHBondContact O-N 2.7Å; V38-L117 HydrophobicContact CB-CD1 4.24Å; V38-L117 HydrophobicContact CG1-CD1 4.18Å; V38-L138 HydrophobicContact CG1-CD1 4.47Å; V38-L146 HydrophobicContact CG1-CD1 4.32Å; V38-F149 HydrophobicContact CG2-CB 4.04Å; V38-V150 HydrophobicContact CG2-CG2 4Å
39G95.8Very high93.9Very high5 Ų546.5 Ų46.55%0.05226%0.255CS..Hα-helixtrans-65-32.2-17600000113.8F35 Q41 L42F35-G39 VanDerWaalsContact O-CA 3.23Å; F35-G39 WeakPolarHBondContact O-CA 3.44Å; F35-G39 PolarHBondContact O-N 2.93Å; G39-Q41 PolarHBondContact O-N 3.33Å; G39-L42 PolarHBondContact O-N 2.77Å
40S95.7Very high93.9Very high93 Ų9345.4 Ų45.465%0.6525%0.25SC*.THydrogen-bonded Turntrans-70.1-20.4173.256.40000113.8E36 V37 V38E36-S40 VanDerWaalsContact O-CB 3.23Å; E36-S40 WeakPolarHBondContact O-CB 3.46Å; E36-S40 PolarHBondContact O-N 3.15Å; E36-S40 PolarHBondContact O-OG 3.23Å; V37-S40 PolarHBondContact O-OG 2.95Å; V38-S40 VanDerWaalsContact C-N 3.33Å; V38-S40 PolarHBondContact O-N 2.9Å
41Q95.6Very high93.8Very high63 Ų6345.3 Ų45.329%0.29425%0.249SC..THydrogen-bonded Turntrans-98.9-2.8178.6-62.6-177.975.500113.2V37 V38 G39 R143 L146V37-Q41 WeakPolarHBondContact O-CG 3.36Å; V37-Q41 PolarHBondContact O-NE2 3.01Å; V38-Q41 PolarHBondContact O-N 2.95Å; G39-Q41 PolarHBondContact O-N 3.33Å; Q41-R143 PolarHBondContact O-NH2 2.74Å; Q41-L146 HydrophobicContact CB-CD1 4.21Å; Q41-L146 HydrophobicContact CB-CD2 3.43Å; Q41-L146 VanDerWaalsContact CB-CD2 3.43Å; Q41-L146 HydrophobicContact CB-CG 4.48Å; Q41-L146 VanDerWaalsContact CD-CD2 3.47Å; Q41-L146 HydrophobicContact CG-CD2 4.08Å
42L95.9Very high93.5Very high15 Ų1551.5 Ų51.58%0.07928%0.276CS..  trans-75.2132171.9-69.3176.3000109.6V38 G39 D46 I47 L50 L138 L146V38-L42 PolarHBondContact O-N 2.7Å; G39-L42 PolarHBondContact O-N 2.77Å; L42-D46 HydrophobicContact CB-CB 4.33Å; L42-D46 HydrophobicContact CD2-CB 4.05Å; L42-I47 HydrophobicContact CB-CG1 4.16Å; L42-L50 HydrophobicContact CD1-CD1 4.28Å; L42-L138 HydrophobicContact CD2-CD2 4.07Å; L42-L146 HydrophobicContact CD2-CD1 3.78Å; L42-L146 HydrophobicContact CG-CD1 4.42Å
43T94.9Very high92.9Very high61 Ų6150.4 Ų50.437%0.37427%0.272SS..  trans-79.1162.417663.80000110.9S45 D46 I47T43-S45 PolarHBondContact O-N 2.92Å; T43-S45 PolarHBondContact OG1-OG 3.49Å; T43-D46 WeakPolarHBondContact CB-OD2 3.34Å; T43-D46 PolarHBondContact N-OD2 2.95Å; T43-D46 WeakPolarHBondContact O-CB 2.93Å; T43-D46 PolarHBondContact O-N 2.78Å; T43-D46 PolarHBondContact OG1-N 3.12Å; T43-D46 PolarHBondContact OG1-OD2 3.41Å; T43-I47 WeakPolarHBondContact O-CG1 3.01Å; T43-I47 PolarHBondContact O-N 2.85Å
44E94.1Very high92.3Very high138 Ų13848.5 Ų48.565%0.64526%0.264SS*.Hα-helixtrans-56.1-40.4175.6-171.6171.1-161.800111.6D46 I47 E48E44-D46 PolarHBondContact O-N 3.48Å; E44-I47 PolarHBondContact O-N 3.24Å; E44-E48 WeakPolarHBondContact O-CG 3.45Å; E44-E48 PolarHBondContact O-N 3.45Å
45S93.4Very high91.5Very high76 Ų7650.3 Ų50.353%0.53127%0.274SS..Hα-helixtrans-64.1-36.5174.449.40000113.6T43 I47 A49T43-S45 PolarHBondContact O-N 2.92Å; T43-S45 PolarHBondContact OG1-OG 3.49Å; S45-I47 VanDerWaalsContact C-N 3.34Å; S45-A49 WeakPolarHBondContact O-CB 3.35Å; S45-A49 PolarHBondContact O-N 3.05Å
46D94.3Very high90.6Very high13 Ų1357.2 Ų57.27%0.0731%0.306CS..Hα-helixtrans-65.5-42.8175.6-62.6-40.9000110.2L42 T43 E44 A49 L50 L141 R143L42-D46 HydrophobicContact CB-CB 4.33Å; L42-D46 HydrophobicContact CD2-CB 4.05Å; T43-D46 WeakPolarHBondContact CB-OD2 3.34Å; T43-D46 PolarHBondContact N-OD2 2.95Å; T43-D46 WeakPolarHBondContact O-CB 2.93Å; T43-D46 PolarHBondContact O-N 2.78Å; T43-D46 PolarHBondContact OG1-N 3.12Å; T43-D46 PolarHBondContact OG1-OD2 3.41Å; E44-D46 PolarHBondContact O-N 3.48Å; D46-A49 PolarHBondContact O-N 3.43Å; D46-L50 WeakPolarHBondContact O-CB 3.23Å; D46-L50 VanDerWaalsContact O-CG 3.26Å; D46-L50 WeakPolarHBondContact O-CG 3.13Å; D46-L50 PolarHBondContact O-N 3.39Å; D46-L141 HydrophobicContact CB-CD1 4.1Å; D46-R143 WeakPolarHBondContact OD2-CD 3.28Å; D46-R143 IonicContact OD2-NE 3.01Å; D46-R143 PolarHBondContact OD2-NE 3.34Å
47I93.4Very high89.3Confident18 Ų1856 Ų569%0.09231%0.306CS..Hα-helixtrans-63.5-45.7179.2-64.1163.7000110.1L42 T43 E44 S45 L50 S51 F110 L116L42-I47 HydrophobicContact CB-CG1 4.16Å; T43-I47 WeakPolarHBondContact O-CG1 3.01Å; T43-I47 PolarHBondContact O-N 2.85Å; E44-I47 PolarHBondContact O-N 3.24Å; S45-I47 VanDerWaalsContact C-N 3.34Å; I47-L50 PolarHBondContact O-N 3.04Å; I47-S51 VanDerWaalsContact O-CB 3.25Å; I47-S51 WeakPolarHBondContact O-CB 3.41Å; I47-S51 PolarHBondContact O-N 3.34Å; I47-S51 PolarHBondContact O-OG 3.5Å; I47-F110 HydrophobicContact CG2-CB 3.96Å; I47-L116 HydrophobicContact CG2-CD2 4.47Å
48E91.7Very high87.8Confident101 Ų10157.9 Ų57.947%0.47231%0.309SS..Hα-helixtrans-59.5-49.2175.6-73.6-177.1169.700111.7E44 L50 S51 F52E44-E48 WeakPolarHBondContact O-CG 3.45Å; E44-E48 PolarHBondContact O-N 3.45Å; E48-L50 PolarHBondContact O-N 3.17Å; E48-S51 WeakPolarHBondContact CA-OG 3.37Å; E48-S51 PolarHBondContact O-N 3.28Å; E48-S51 PolarHBondContact O-OG 3.43Å; E48-F52 WeakPolarHBondContact O-CB 3.31Å; E48-F52 PolarHBondContact O-N 3.36Å
49A90.6Very high86Confident36 Ų3662 Ų6230%0.29834%0.335SS..Hα-helixtrans-60.4-43.5178.600000112.7S45 D46 F52 L53 L141S45-A49 WeakPolarHBondContact O-CB 3.35Å; S45-A49 PolarHBondContact O-N 3.05Å; D46-A49 PolarHBondContact O-N 3.43Å; A49-F52 PolarHBondContact O-N 3.15Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 3.39Å; A49-L141 HydrophobicContact CB-CD2 3.75Å
50L88.9Confident84.2Confident5 Ų565.4 Ų65.43%0.02636%0.363CS..Hα-helixtrans-68.3-40.6177.5-70.7172.9000112.3L42 D46 I47 E48 F52 L53 L54 L116 L137 L141L42-L50 HydrophobicContact CD1-CD1 4.28Å; D46-L50 WeakPolarHBondContact O-CB 3.23Å; D46-L50 VanDerWaalsContact O-CG 3.26Å; D46-L50 WeakPolarHBondContact O-CG 3.13Å; D46-L50 PolarHBondContact O-N 3.39Å; I47-L50 PolarHBondContact O-N 3.04Å; E48-L50 PolarHBondContact O-N 3.17Å; L50-F52 VanDerWaalsContact C-N 3.29Å; L50-F52 PolarHBondContact O-N 3.24Å; L50-L53 HydrophobicContact CD2-CD1 4.46Å; L50-L53 PolarHBondContact O-N 3.17Å; L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 WeakPolarHBondContact O-CG 3.23Å; L50-L54 PolarHBondContact O-N 2.91Å; L50-L116 HydrophobicContact CB-CD1 4.27Å; L50-L116 HydrophobicContact CB-CD2 3.56Å; L50-L116 HydrophobicContact CB-CG 4.48Å; L50-L116 HydrophobicContact CD1-CD2 3.55Å; L50-L116 HydrophobicContact CG-CD2 4.18Å; L50-L137 HydrophobicContact CD2-CB 3.99Å; L50-L137 HydrophobicContact CD2-CD1 4.1Å; L50-L137 HydrophobicContact CD2-CD2 3.77Å; L50-L137 HydrophobicContact CD2-CG 4.16Å; L50-L141 HydrophobicContact CD1-CD1 3.71Å; L50-L141 HydrophobicContact CD2-CD1 3.76Å; L50-L141 HydrophobicContact CD2-CG 4.35Å; L50-L141 HydrophobicContact CG-CD1 3.64Å
51S88.9Confident82.5Confident18 Ų1866.7 Ų66.713%0.12636%0.359CS..Hα-helixtrans-60.1-41.5175.275.70000111.4I47 E48 L54 N55I47-S51 VanDerWaalsContact O-CB 3.25Å; I47-S51 WeakPolarHBondContact O-CB 3.41Å; I47-S51 PolarHBondContact O-N 3.34Å; I47-S51 PolarHBondContact O-OG 3.5Å; E48-S51 WeakPolarHBondContact CA-OG 3.37Å; E48-S51 PolarHBondContact O-N 3.28Å; E48-S51 PolarHBondContact O-OG 3.43Å; S51-L54 PolarHBondContact O-N 3.13Å; S51-N55 WeakPolarHBondContact O-CB 3.31Å; S51-N55 PolarHBondContact O-N 2.97Å; S51-N55 PolarHBondContact O-ND2 3.05Å; S51-N55 PolarHBondContact O-OD1 3.48Å
52F87Confident81.2Confident134 Ų13466.5 Ų66.559%0.58836%0.358SS*.Hα-helixtrans-61.7-49.7175.2174.4-96.5000111.3E48 A49 L50 L54 N55 E56E48-F52 WeakPolarHBondContact O-CB 3.31Å; E48-F52 PolarHBondContact O-N 3.36Å; A49-F52 PolarHBondContact O-N 3.15Å; L50-F52 VanDerWaalsContact C-N 3.29Å; L50-F52 PolarHBondContact O-N 3.24Å; F52-L54 PolarHBondContact O-N 3.38Å; F52-N55 PolarHBondContact O-N 3.32Å; F52-N55 VanDerWaalsContact O-N 3.1Å; F52-E56 PolarHBondContact O-N 3.46Å
53L82.9Confident79.7Confident68 Ų6870.8 Ų70.836%0.35639%0.387SS..Hα-helixtrans-59.2-37.4178.1-74.2165000112.2A49 L50 T57 L137A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 3.39Å; L50-L53 HydrophobicContact CD2-CD1 4.46Å; L50-L53 PolarHBondContact O-N 3.17Å; L53-T57 WeakPolarHBondContact O-CB 3.39Å; L53-T57 VanDerWaalsContact O-CG2 3.32Å; L53-T57 WeakPolarHBondContact O-CG2 3.2Å; L53-T57 PolarHBondContact O-N 3.32Å; L53-T57 VanDerWaalsContact O-N 3.12Å; L53-T57 PolarHBondContact O-OG1 3.36Å; L53-L137 HydrophobicContact CD1-CD2 4.38Å
54L78.8Confident78.6Confident12 Ų1272.6 Ų72.66%0.06339%0.393CS..Hα-helixtrans-71.8-33177.1-76.5171.2000113.6L50 S51 F52 T57 Y58 L116 L120 Y125L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 WeakPolarHBondContact O-CG 3.23Å; L50-L54 PolarHBondContact O-N 2.91Å; S51-L54 PolarHBondContact O-N 3.13Å; F52-L54 PolarHBondContact O-N 3.38Å; L54-T57 PolarHBondContact O-OG1 3.24Å; L54-Y58 WeakPolarHBondContact O-CB 3.43Å; L54-Y58 PolarHBondContact O-N 3.42Å; L54-L116 HydrophobicContact CD1-CD1 3.48Å; L54-L116 VanDerWaalsContact CD1-CD1 3.48Å; L54-L120 HydrophobicContact CD1-CD1 4.5Å; L54-L120 HydrophobicContact CD1-CD2 3.6Å; L54-L120 HydrophobicContact CD1-CG 3.89Å; L54-L120 HydrophobicContact CD2-CD2 3.2Å; L54-L120 HydrophobicContact CD2-CG 4.36Å; L54-L120 HydrophobicContact CG-CD2 3.89Å; L54-Y125 HydrophobicContact CD2-CD2 4.29Å; L54-Y125 HydrophobicContact CD2-CE2 4.12Å
55N78.3Confident77.6Confident38 Ų3867 Ų6720%0.20337%0.368CS..Hα-helixtrans-71.4-39.8176.6-65.9-19.6000110.3S51 F52 T57 L105S51-N55 WeakPolarHBondContact O-CB 3.31Å; S51-N55 PolarHBondContact O-N 2.97Å; S51-N55 PolarHBondContact O-ND2 3.05Å; S51-N55 PolarHBondContact O-OD1 3.48Å; F52-N55 PolarHBondContact O-N 3.32Å; F52-N55 VanDerWaalsContact O-N 3.1Å; N55-T57 PolarHBondContact O-N 2.9Å; N55-L105 HydrophobicContact CB-CD2 3.71Å; N55-L105 HydrophobicContact CB-CG 3.93Å; N55-L105 WeakPolarHBondContact O-CD2 3.24Å; N55-L105 WeakPolarHBondContact OD1-CD1 3.37Å; N55-L105 WeakPolarHBondContact OD1-CG 3.46Å
56E77.6Confident76.8Confident145 Ų14563.6 Ų63.668%0.67834%0.344SS*.Hα-helixtrans-68.6-36.5179.4-166.364.6-166.400112.8F52 Y58F52-E56 PolarHBondContact O-N 3.46Å; E56-Y58 VanDerWaalsContact C-N 3.33Å; E56-Y58 PolarHBondContact O-N 2.95Å
57T67.8Low75.9Confident87 Ų8765 Ų6553%0.53436%0.358SS..Hα-helixtrans-82.3-9.6-176.551.50000114L53 L54 N55L53-T57 WeakPolarHBondContact O-CB 3.39Å; L53-T57 VanDerWaalsContact O-CG2 3.32Å; L53-T57 WeakPolarHBondContact O-CG2 3.2Å; L53-T57 PolarHBondContact O-N 3.32Å; L53-T57 VanDerWaalsContact O-N 3.12Å; L53-T57 PolarHBondContact O-OG1 3.36Å; L54-T57 PolarHBondContact O-OG1 3.24Å; N55-T57 PolarHBondContact O-N 2.9Å
58Y63.7Low74.8Confident89 Ų8966.4 Ų66.435%0.34938%0.376SS..SBendtrans-110.5110.2179.2-161.8-93.7000110.5L54 E56 A60 L105L54-Y58 WeakPolarHBondContact O-CB 3.43Å; L54-Y58 PolarHBondContact O-N 3.42Å; E56-Y58 VanDerWaalsContact C-N 3.33Å; E56-Y58 PolarHBondContact O-N 2.95Å; Y58-A60 PolarHBondContact O-N 3.39Å; Y58-L105 HydrophobicContact CD1-CD1 4.43Å; Y58-L105 WeakPolarHBondContact O-CD2 3.09Å
59P57.4Low74Confident86 Ų8668.8 Ų68.856%0.55838%0.381SS*.  trans-60.8130.2172.625-30.8000108.5Q61P59-Q61 PolarHBondContact O-N 2.89Å
60A58Low73.1Confident78 Ų7868.5 Ų68.565%0.64538%0.376SS*.SBendtrans-56.2-15.9177.600000113.1Y58Y58-A60 PolarHBondContact O-N 3.39Å
61Q60.3Low72.1Confident120 Ų12073.2 Ų73.256%0.56140%0.404SS*.SBendtrans-102.2129.2177.6-67.1176.71.100111.3P59P59-Q61 PolarHBondContact O-N 2.89Å
62H66.4Low70.9Confident58 Ų5879.5 Ų79.527%0.26943%0.432SS..  trans-63.2140.1176.3-174-85.8000109.4L64 D65 W93H62-L64 WeakPolarHBondContact ND1-CB 3.48Å; H62-L64 PolarHBondContact ND1-N 2.91Å; H62-L64 PolarHBondContact O-N 2.98Å; H62-L64 VanDerWaalsContact O-N 3.09Å; H62-D65 HydrophobicContact CB-CB 4.28Å; H62-D65 WeakPolarHBondContact O-CA 3.2Å; H62-D65 WeakPolarHBondContact O-CB 3.19Å; H62-D65 PolarHBondContact O-N 3.23Å; H62-W93 HydrophobicContact CB-CZ2 4.38Å; H62-W93 AromaticContact CE1-CH2 3.91Å; H62-W93 AromaticContact ND1-CH2 3.72Å; H62-W93 AromaticContact ND1-CZ2 3.54Å
63P65.6Low69.7Low105 Ų10576.1 Ų76.168%0.68242%0.423SS*.THydrogen-bonded Turntrans-61.1-25.6-177.422-33.5000113.5W69P63-W69 PolarHBondContact O-NE1 3.18Å
64L71.3Confident68.5Low99 Ų9975.5 Ų75.552%0.51843%0.428SS..THydrogen-bonded Turntrans-93.315.2172.4-52.4178.1000113.8H62 P66 W69 W93H62-L64 WeakPolarHBondContact ND1-CB 3.48Å; H62-L64 PolarHBondContact ND1-N 2.91Å; H62-L64 PolarHBondContact O-N 2.98Å; H62-L64 VanDerWaalsContact O-N 3.09Å; L64-P66 WeakPolarHBondContact O-CD 3.44Å; L64-W69 HydrophobicContact CB-CZ2 4.22Å; L64-W69 WeakPolarHBondContact O-CZ2 3.49Å; L64-W93 HydrophobicContact CB-CH2 3.62Å; L64-W93 HydrophobicContact CB-CZ2 4.25Å; L64-W93 HydrophobicContact CB-CZ3 4.19Å; L64-W93 WeakPolarHBondContact O-CH2 3.36Å; L64-W93 WeakPolarHBondContact O-CZ2 3.49Å
65D74.2Confident67.7Low22 Ų2285 Ų8512%0.11847%0.472CS..  trans-73115.2177.4-162-28.6000110.1H62 A67 G68 W69H62-D65 HydrophobicContact CB-CB 4.28Å; H62-D65 WeakPolarHBondContact O-CA 3.2Å; H62-D65 WeakPolarHBondContact O-CB 3.19Å; H62-D65 PolarHBondContact O-N 3.23Å; D65-A67 PolarHBondContact O-N 2.73Å; D65-A67 VanDerWaalsContact O-N 3.15Å; D65-A67 WeakPolarHBondContact OD1-CB 3.47Å; D65-A67 PolarHBondContact OD1-N 3.01Å; D65-G68 PolarHBondContact O-N 3.47Å; D65-W69 PolarHBondContact O-NE1 3.15Å
66P75.6Confident66.9Low4 Ų491 Ų913%0.02650%0.504CS..G310 helixtrans-67.1-13.118028-35.9000114.4L64 G68 W69 P85 L89 L90 W93L64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-G68 VanDerWaalsContact C-N 3.25Å; P66-W69 HydrophobicContact CB-CD2 4.22Å; P66-W69 HydrophobicContact CB-CE3 3.76Å; P66-W69 HydrophobicContact CB-CZ3 3.93Å; P66-P85 WeakPolarHBondContact O-CB 3.43Å; P66-L89 HydrophobicContact CB-CD2 3.03Å; P66-L89 HydrophobicContact CG-CD2 3.36Å; P66-L90 HydrophobicContact CG-CD2 4.02Å; P66-W93 HydrophobicContact CG-CB 3.95Å; P66-W93 HydrophobicContact CG-CD2 4.42Å; P66-W93 HydrophobicContact CG-CG 3.9Å
67A76Confident65.9Low43 Ų4389 Ų8936%0.35550%0.498SS..G310 helixtrans-67.4-26.3171.400000112.8D65 T70 L90D65-A67 PolarHBondContact O-N 2.73Å; D65-A67 VanDerWaalsContact O-N 3.15Å; D65-A67 WeakPolarHBondContact OD1-CB 3.47Å; D65-A67 PolarHBondContact OD1-N 3.01Å; A67-T70 PolarHBondContact O-OG1 3.18Å; A67-L90 HydrophobicContact CB-CD2 4.11Å
68G69.3Low65.7Low46 Ų4690.8 Ų90.847%0.47451%0.514SS..G310 helixtrans-96.12.117900000114.3D65 P66 T70D65-G68 PolarHBondContact O-N 3.47Å; P66-G68 VanDerWaalsContact C-N 3.25Å; G68-T70 VanDerWaalsContact C-N 3.27Å
69W75.8Confident65.6Low151 Ų15195 Ų9557%0.57254%0.537SS*.SBendtrans-87.12.4-179.7-64-10.8000113.4P63 L64 D65 P66 L89P63-W69 PolarHBondContact O-NE1 3.18Å; L64-W69 HydrophobicContact CB-CZ2 4.22Å; L64-W69 WeakPolarHBondContact O-CZ2 3.49Å; D65-W69 PolarHBondContact O-NE1 3.15Å; P66-W69 HydrophobicContact CB-CD2 4.22Å; P66-W69 HydrophobicContact CB-CE3 3.76Å; P66-W69 HydrophobicContact CB-CZ3 3.93Å; W69-L89 HydrophobicContact CZ3-CD2 4.27Å
70T72Confident65.7Low31 Ų3194.3 Ų94.319%0.1953%0.529CS..SBendtrans-100.6147.2-175.5480000111.8A67 G68 E72 V83 P85A67-T70 PolarHBondContact O-OG1 3.18Å; G68-T70 VanDerWaalsContact C-N 3.27Å; T70-E72 PolarHBondContact O-N 3.02Å; T70-V83 WeakPolarHBondContact CB-O 3.47Å; T70-V83 WeakPolarHBondContact CG2-O 3.49Å; T70-P85 HydrophobicContact CG2-CB 3.71Å; T70-P85 HydrophobicContact CG2-CG 4.16Å
71V66.8Low65.8Low104 Ų10495.1 Ų95.163%0.6354%0.535SS*.PPolyproline II helixtrans-78.9118.6178.11790000107.4
72E64.8Low65.9Low149 Ų14990.5 Ų90.570%0.69652%0.52SS*.PPolyproline II helixtrans-64137.6170-67.8-63.2115.100109T70 A74T70-E72 PolarHBondContact O-N 3.02Å; E72-A74 PolarHBondContact O-N 3.48Å
73P60.6Low66.2Low64 Ų6493 Ų9342%0.41654%0.539SS..PPolyproline II helixtrans-60.5136.6-178.727.5-35.6000110.4E75 D80P73-E75 PolarHBondContact O-N 3.43Å; P73-D80 WeakPolarHBondContact CB-O 3.23Å
74A58.9Low66.3Low54 Ų5491.9 Ų91.945%0.44654%0.538SS..PPolyproline II helixtrans-61.8128.4178.900000110.4E72 D76 D77 D80E72-A74 PolarHBondContact O-N 3.48Å; A74-D76 PolarHBondContact O-N 2.99Å; A74-D77 PolarHBondContact O-N 3.31Å; A74-D80 PolarHBondContact N-OD2 3.31Å
75E61.9Low66.5Low212 Ų21289 Ų8999%0.99153%0.526SS*.THydrogen-bonded Turntrans-60.8-13.7-175.9-57.9-177.3179.300114P73P73-E75 PolarHBondContact O-N 3.43Å
76D60.8Low66.9Low165 Ų16590.8 Ų90.888%0.88254%0.54SS*.THydrogen-bonded Turntrans-104.4-3.3-174.3-15729.8000114.1A74A74-D76 PolarHBondContact O-N 2.99Å
77D56Low67.2Low102 Ų10294.3 Ų94.355%0.54556%0.563SS.*  trans-126.9104.9-179.2-153-8.9000111.5A74 E79 D80A74-D77 PolarHBondContact O-N 3.31Å; D77-E79 PolarHBondContact O-N 2.78Å; D77-E79 VanDerWaalsContact O-N 3.08Å; D77-D80 HydrophobicContact CB-CB 4.25Å; D77-D80 PolarHBondContact O-N 2.86Å
78S64.6Low67.7Low125 Ų12599.4 Ų99.487%0.87458%0.579SS**THydrogen-bonded Turntrans-67.8-8.4-172.7-60.10000114.5
79E60.8Low68.4Low177 Ų177101 Ų10183%0.82758%0.577SS**THydrogen-bonded Turntrans-108.6-3.5-179.7-60.9-78142.400112.9D77 A81D77-E79 PolarHBondContact O-N 2.78Å; D77-E79 VanDerWaalsContact O-N 3.08Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 3.07Å
80D60.8Low68.7Low72 Ų7296 Ų9639%0.38556%0.561SS.*  trans-80.280.6177.8-171.631000110P73 A74 D77 G82P73-D80 WeakPolarHBondContact CB-O 3.23Å; A74-D80 PolarHBondContact N-OD2 3.31Å; D77-D80 HydrophobicContact CB-CB 4.25Å; D77-D80 PolarHBondContact O-N 2.86Å; D80-G82 VanDerWaalsContact C-N 3.28Å; D80-G82 PolarHBondContact O-N 3.09Å
81A58.8Low69.2Low94 Ų94101.1 Ų101.178%0.77758%0.577SS**  trans-72.587.5170.300000108.6E79E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 3.07Å
82G64Low70Confident24 Ų2497.7 Ų97.725%0.24756%0.559CS.*  trans-42.9154.8179.200000114.2D80 A84D80-G82 VanDerWaalsContact C-N 3.28Å; D80-G82 PolarHBondContact O-N 3.09Å; G82-A84 PolarHBondContact O-N 3.15Å
83V72.3Confident70.7Confident110 Ų11093 Ų9367%0.66754%0.535SS*.  trans-74.5103-171.9-1800000110.3T70T70-V83 WeakPolarHBondContact CB-O 3.47Å; T70-V83 WeakPolarHBondContact CG2-O 3.49Å
84A66.9Low71.6Confident81 Ų8198 Ų9867%0.66955%0.546SS*.PPolyproline II helixtrans-65.7145.9178.100000113G82G82-A84 PolarHBondContact O-N 3.15Å
85P75.8Confident72.7Confident38 Ų38104.6 Ų104.625%0.24756%0.559CS.*PPolyproline II helixtrans-70.1143.7-175.223.7-31.1000111.6P66 T70 P87 L90P66-P85 WeakPolarHBondContact O-CB 3.43Å; T70-P85 HydrophobicContact CG2-CB 3.71Å; T70-P85 HydrophobicContact CG2-CG 4.16Å; P85-P87 WeakPolarHBondContact O-CD 3.32Å; P85-P87 VanDerWaalsContact O-N 3.17Å; P85-L90 HydrophobicContact CB-CD1 4.13Å; P85-L90 HydrophobicContact CB-CG 4.36Å; P85-L90 HydrophobicContact CG-CD1 3.9Å
86S83.2Confident73.2Confident61 Ų61100.8 Ų100.843%0.42755%0.545SS..PPolyproline II helixtrans-56.8121.4-177.9171.50000111.5Q88 L89 L90S86-Q88 PolarHBondContact O-N 3.02Å; S86-L89 PolarHBondContact O-N 3.44Å; S86-L89 VanDerWaalsContact O-N 3.11Å; S86-L90 PolarHBondContact O-N 2.75Å
87P81.2Confident73.4Confident77 Ų7794.2 Ų94.250%0.551%0.509SS..Hα-helixtrans-67.8-24.2-175.526-34.3000112.5P85 R91P85-P87 WeakPolarHBondContact O-CD 3.32Å; P85-P87 VanDerWaalsContact O-N 3.17Å; P87-R91 VanDerWaalsContact O-CG 3.23Å; P87-R91 WeakPolarHBondContact O-CG 3.47Å; P87-R91 PolarHBondContact O-N 2.95Å; P87-R91 PolarHBondContact O-NE 3.49Å
88Q86.1Confident73.2Confident150 Ų15094 Ų9470%0.70151%0.513SS*.Hα-helixtrans-72.9-40.2175.2-69180-10.700111.3S86 R91 A92S86-Q88 PolarHBondContact O-N 3.02Å; Q88-R91 PolarHBondContact O-N 3.01Å; Q88-A92 PolarHBondContact O-N 3.11Å
89L83.5Confident72.4Confident80 Ų8094.3 Ų94.342%0.41952%0.515SS..Hα-helixtrans-71.5-39.3-179.5-166.6142.8000110.8P66 W69 S86 R91 A92 W93P66-L89 HydrophobicContact CB-CD2 3.03Å; P66-L89 HydrophobicContact CG-CD2 3.36Å; W69-L89 HydrophobicContact CZ3-CD2 4.27Å; S86-L89 PolarHBondContact O-N 3.44Å; S86-L89 VanDerWaalsContact O-N 3.11Å; L89-R91 VanDerWaalsContact C-N 3.33Å; L89-R91 PolarHBondContact O-N 3.37Å; L89-A92 PolarHBondContact O-N 3.02Å; L89-W93 WeakPolarHBondContact O-CB 3.46Å; L89-W93 PolarHBondContact O-N 2.8Å
90L82.1Confident71.7Confident47 Ų4789 Ų8925%0.24651%0.507CS..Hα-helixtrans-58.9-41.8169.2-73171.1000112.6P66 A67 P85 S86 R94P66-L90 HydrophobicContact CG-CD2 4.02Å; A67-L90 HydrophobicContact CB-CD2 4.11Å; P85-L90 HydrophobicContact CB-CD1 4.13Å; P85-L90 HydrophobicContact CB-CG 4.36Å; P85-L90 HydrophobicContact CG-CD1 3.9Å; S86-L90 PolarHBondContact O-N 2.75Å; L90-R94 WeakPolarHBondContact O-CG 3.37Å; L90-R94 PolarHBondContact O-N 3.01Å
91R83.3Confident71.1Confident138 Ų13887.6 Ų87.652%0.52150%0.503SS..Hα-helixtrans-65.5-39.6175.3-75.7178.1-132.91780.1112P87 Q88 L89 R95P87-R91 VanDerWaalsContact O-CG 3.23Å; P87-R91 WeakPolarHBondContact O-CG 3.47Å; P87-R91 PolarHBondContact O-N 2.95Å; P87-R91 PolarHBondContact O-NE 3.49Å; Q88-R91 PolarHBondContact O-N 3.01Å; L89-R91 VanDerWaalsContact C-N 3.33Å; L89-R91 PolarHBondContact O-N 3.37Å; R91-R95 WeakPolarHBondContact O-CG 3.38Å; R91-R95 PolarHBondContact O-N 2.9Å
92A84.6Confident70.5Confident32 Ų3288.6 Ų88.626%0.26449%0.492SS..Hα-helixtrans-66.9-45.4176.300000111.4Q88 L89 R94 R95 L96Q88-A92 PolarHBondContact O-N 3.11Å; L89-A92 PolarHBondContact O-N 3.02Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R94 PolarHBondContact O-N 3.42Å; A92-R95 WeakPolarHBondContact O-CB 3.4Å; A92-R95 PolarHBondContact O-N 3.21Å; A92-L96 WeakPolarHBondContact O-CG 3.49Å; A92-L96 PolarHBondContact O-N 2.92Å
93W79.6Confident69.6Low51 Ų5194.9 Ų94.919%0.19352%0.515CS..Hα-helixtrans-57.6-44.2175.9-174.6-114.2000112.2H62 L64 P66 L89 R95 L96 K97H62-W93 HydrophobicContact CB-CZ2 4.38Å; H62-W93 AromaticContact CE1-CH2 3.91Å; H62-W93 AromaticContact ND1-CH2 3.72Å; H62-W93 AromaticContact ND1-CZ2 3.54Å; L64-W93 HydrophobicContact CB-CH2 3.62Å; L64-W93 HydrophobicContact CB-CZ2 4.25Å; L64-W93 HydrophobicContact CB-CZ3 4.19Å; L64-W93 WeakPolarHBondContact O-CH2 3.36Å; L64-W93 WeakPolarHBondContact O-CZ2 3.49Å; P66-W93 HydrophobicContact CG-CB 3.95Å; P66-W93 HydrophobicContact CG-CD2 4.42Å; P66-W93 HydrophobicContact CG-CG 3.9Å; L89-W93 WeakPolarHBondContact O-CB 3.46Å; L89-W93 PolarHBondContact O-N 2.8Å; W93-R95 VanDerWaalsContact C-N 3.26Å; W93-R95 PolarHBondContact O-N 2.77Å; W93-L96 PolarHBondContact O-N 3.41Å; W93-L96 VanDerWaalsContact O-N 3.15Å; W93-K97 PolarHBondContact O-N 3.29Å
94R79.5Confident68.3Low168 Ų16894.1 Ų94.163%0.63451%0.512SS*.Hα-helixtrans-61.1-29.4173.9-78.3-168.2-66.3-156.1-1.1114.2L90 A92L90-R94 WeakPolarHBondContact O-CG 3.37Å; L90-R94 PolarHBondContact O-N 3.01Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R94 PolarHBondContact O-N 3.42Å
95R81.9Confident67.5Low192 Ų19291.8 Ų91.873%0.72549%0.488SS*.Hα-helixtrans-80.2-27.2176.2-70.4-169.8-63.6-110.12.9113.1R91 A92 W93R91-R95 WeakPolarHBondContact O-CG 3.38Å; R91-R95 PolarHBondContact O-N 2.9Å; A92-R95 WeakPolarHBondContact O-CB 3.4Å; A92-R95 PolarHBondContact O-N 3.21Å; W93-R95 VanDerWaalsContact C-N 3.26Å; W93-R95 PolarHBondContact O-N 2.77Å
96L71.8Confident66.1Low132 Ų13298.8 Ų98.869%0.69152%0.518SS*.Hα-helixtrans-89.6-24.6-178.6-66.9172.9000112.9A92 W93 P98A92-L96 WeakPolarHBondContact O-CG 3.49Å; A92-L96 PolarHBondContact O-N 2.92Å; W93-L96 PolarHBondContact O-N 3.41Å; W93-L96 VanDerWaalsContact O-N 3.15Å; L96-P98 VanDerWaalsContact O-CD 3.28Å; L96-P98 WeakPolarHBondContact O-CD 3.42Å
97K64.1Low64.8Low28 Ų2898.8 Ų98.812%0.12253%0.527CS..SBendtrans-58.7120.6177.4-99.2-161.8167.7-170.20109.6W93 S99 S101 Q102W93-K97 PolarHBondContact O-N 3.29Å; K97-S99 PolarHBondContact O-N 3.19Å; K97-S101 WeakPolarHBondContact CB-OG 3.35Å; K97-S101 WeakPolarHBondContact CD-OG 3.42Å; K97-S101 WeakPolarHBondContact CG-OG 3.45Å; K97-S101 PolarHBondContact NZ-O 3.33Å; K97-Q102 HydrophobicContact CD-CG 3.49Å; K97-Q102 VanDerWaalsContact CD-CG 3.49Å
98P53.5Low64Low97 Ų9796.9 Ų96.963%0.6351%0.513SS*.  trans-57.2134.9163.9-15.328.2000107.1L96 G100 S101L96-P98 VanDerWaalsContact O-CD 3.28Å; L96-P98 WeakPolarHBondContact O-CD 3.42Å; P98-G100 PolarHBondContact O-N 3.37Å; P98-S101 PolarHBondContact O-N 3.35Å; P98-S101 PolarHBondContact O-OG 3.35Å
99S45.9Very low63.5Low131 Ų13197 Ų9792%0.91651%0.511SS*.THydrogen-bonded Turntrans-55.8-7.1-179.2-61.80000114.8K97K97-S99 PolarHBondContact O-N 3.19Å
100G47.2Very low63.6Low65 Ų6593.8 Ų93.867%0.6749%0.493SS*.THydrogen-bonded Turntrans-84.7-0.9170.800000116.3P98P98-G100 PolarHBondContact O-N 3.37Å
101S48Very low63.9Low43 Ų43102.5 Ų102.530%0.30152%0.523SS..SBendtrans-107.48.8-172.163.10000115.3K97 P98K97-S101 WeakPolarHBondContact CB-OG 3.35Å; K97-S101 WeakPolarHBondContact CD-OG 3.42Å; K97-S101 WeakPolarHBondContact CG-OG 3.45Å; K97-S101 PolarHBondContact NZ-O 3.33Å; P98-S101 PolarHBondContact O-N 3.35Å; P98-S101 PolarHBondContact O-OG 3.35Å
102Q45.8Very low64.3Low116 Ų11698.2 Ų98.254%0.54251%0.514SS..  trans-131.454.2171.4-64.4-154.5-20.800111.1K97 P104K97-Q102 HydrophobicContact CD-CG 3.49Å; K97-Q102 VanDerWaalsContact CD-CG 3.49Å; Q102-P104 VanDerWaalsContact C-CD 3.48Å; Q102-P104 WeakPolarHBondContact O-CD 3.44Å
103Q45.4Very low64.8Low155 Ų15596.8 Ų96.872%0.72450%0.502SS*.  trans-91.8102.7150.3-66.3-123.6-43.700104.9L105Q103-L105 PolarHBondContact O-N 3.34Å; Q103-L105 VanDerWaalsContact O-N 3.16Å
104P45.1Very low65.6Low95 Ų9596.8 Ų96.862%0.61751%0.506SS*.  trans-40.9127.6157.6-26.633.7000107.3Q102 E106Q102-P104 VanDerWaalsContact C-CD 3.48Å; Q102-P104 WeakPolarHBondContact O-CD 3.44Å; P104-E106 PolarHBondContact O-N 3.12Å
105L50.1Low66.3Low32 Ų3293 Ų9317%0.16850%0.496CS..SBendtrans-66.125.6-179.5-157.780.6000111.8N55 Y58 Q103 G107 L108N55-L105 HydrophobicContact CB-CD2 3.71Å; N55-L105 HydrophobicContact CB-CG 3.93Å; N55-L105 WeakPolarHBondContact O-CD2 3.24Å; N55-L105 WeakPolarHBondContact OD1-CD1 3.37Å; N55-L105 WeakPolarHBondContact OD1-CG 3.46Å; Y58-L105 HydrophobicContact CD1-CD1 4.43Å; Y58-L105 WeakPolarHBondContact O-CD2 3.09Å; Q103-L105 PolarHBondContact O-N 3.34Å; Q103-L105 VanDerWaalsContact O-N 3.16Å; L105-G107 VanDerWaalsContact C-N 3.33Å; L105-G107 PolarHBondContact O-N 3.25Å; L105-G107 VanDerWaalsContact O-N 3.12Å; L105-L108 HydrophobicContact CD1-CD1 3.76Å
106E46.9Very low66.8Low185 Ų18583.9 Ų83.986%0.86446%0.461SS*.SBendtrans-82.886.5171.1-64.8-160.6170.700107.3P104P104-E106 PolarHBondContact O-N 3.12Å
107G54.8Low67.9Low60 Ų6077.6 Ų77.662%0.61943%0.428SS*.  trans89.647.8165.600000115.6L105 K109L105-G107 VanDerWaalsContact C-N 3.33Å; L105-G107 PolarHBondContact O-N 3.25Å; L105-G107 VanDerWaalsContact O-N 3.12Å; G107-K109 PolarHBondContact O-N 3.27Å
108L65.8Low69.4Low38 Ų3879.4 Ų79.420%0.19944%0.439CS..  trans-62.281.7154.5-92122.9000108.7L105 F110 E119L105-L108 HydrophobicContact CD1-CD1 3.76Å; L108-F110 HydrophobicContact CB-CE2 4.05Å; L108-F110 HydrophobicContact CB-CZ 3.96Å; L108-F110 HydrophobicContact CD2-CE1 3.74Å; L108-F110 HydrophobicContact CD2-CZ 3.67Å; L108-F110 HydrophobicContact CG-CZ 4.43Å; L108-F110 WeakPolarHBondContact O-CD2 3.21Å; L108-F110 PolarHBondContact O-N 3.04Å; L108-E119 HydrophobicContact CD2-CG 4.47Å
109K74.9Confident71.2Confident151 Ų15176.5 Ų76.566%0.65742%0.417SS*.  trans-87.497.3172.5-171.8170.2-176.9166.60107G107 R111G107-K109 PolarHBondContact O-N 3.27Å; K109-R111 PolarHBondContact O-N 3.4Å
110F86.4Confident73.3Confident14 Ų1470.5 Ų70.56%0.06137%0.374CS..  trans-67.1131.4173.7-56.2-78.7000109.2I47 L108 S112 E115 L116 E119I47-F110 HydrophobicContact CG2-CB 3.96Å; L108-F110 HydrophobicContact CB-CE2 4.05Å; L108-F110 HydrophobicContact CB-CZ 3.96Å; L108-F110 HydrophobicContact CD2-CE1 3.74Å; L108-F110 HydrophobicContact CD2-CZ 3.67Å; L108-F110 HydrophobicContact CG-CZ 4.43Å; L108-F110 WeakPolarHBondContact O-CD2 3.21Å; L108-F110 PolarHBondContact O-N 3.04Å; F110-S112 VanDerWaalsContact C-N 3.33Å; F110-E115 HydrophobicContact CD1-CB 4.5Å; F110-E115 HydrophobicContact CD1-CG 4.13Å; F110-L116 HydrophobicContact CB-CB 3.99Å; F110-L116 HydrophobicContact CD1-CB 4.15Å; F110-L116 HydrophobicContact CD1-CD1 4.46Å; F110-L116 HydrophobicContact CD2-CB 4.2Å; F110-L116 HydrophobicContact CD2-CD1 3.41Å; F110-L116 VanDerWaalsContact CD2-CD1 3.41Å; F110-L116 HydrophobicContact CD2-CG 4.38Å; F110-L116 HydrophobicContact CE1-CD1 4.49Å; F110-L116 HydrophobicContact CE2-CD1 3.43Å; F110-L116 VanDerWaalsContact CE2-CD1 3.43Å; F110-L116 HydrophobicContact CG-CB 3.83Å; F110-L116 HydrophobicContact CG-CD1 3.94Å; F110-L116 HydrophobicContact CZ-CD1 4Å; F110-E119 HydrophobicContact CE1-CB 3.6Å; F110-E119 HydrophobicContact CE1-CG 3.72Å; F110-E119 HydrophobicContact CZ-CB 4.09Å; F110-E119 HydrophobicContact CZ-CG 3.87Å
111R86.9Confident75.4Confident230 Ų23070 Ų7087%0.86836%0.355SS*.SBendtrans-81.4-20.4179.7-65.4-178.3178.6-177.80.5112K109 E115K109-R111 PolarHBondContact O-N 3.4Å; R111-E115 PolarHBondContact N-OE2 3.19Å
112S93.1Very high77.4Confident48 Ų4875.5 Ų75.534%0.33637%0.373SS..SBendtrans-146157.8179.673.80000111.7F110 L114 E115 L116F110-S112 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 3.43Å; S112-L114 PolarHBondContact OG-N 3.08Å; S112-E115 PolarHBondContact O-N 3.22Å; S112-E115 PolarHBondContact OG-N 2.86Å; S112-E115 VanDerWaalsContact OG-N 3.15Å; S112-L116 PolarHBondContact O-N 3.14Å
113G94.4Very high79.2Confident1 Ų172.6 Ų72.61%0.0136%0.357CS..Hα-helixtrans-62-30.8172.100000112.8L116 L117G113-L116 PolarHBondContact O-N 2.96Å; G113-L117 VanDerWaalsContact O-CG 3.24Å; G113-L117 WeakPolarHBondContact O-CG 3.47Å; G113-L117 PolarHBondContact O-N 3.08Å
114L95.6Very high81.2Confident52 Ų5268.1 Ų68.127%0.27235%0.352SS..Hα-helixtrans-63.2-48.4175.617662.7000111.5F35 E36 S112 L116 L117 L118F35-L114 HydrophobicContact CB-CD1 3.7Å; E36-L114 HydrophobicContact CG-CD1 3.96Å; E36-L114 HydrophobicContact CG-CD2 4.06Å; S112-L114 PolarHBondContact O-N 3.43Å; S112-L114 PolarHBondContact OG-N 3.08Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 2.88Å; L114-L117 PolarHBondContact O-N 2.8Å; L114-L118 HydrophobicContact CD1-CD1 4.17Å; L114-L118 HydrophobicContact CD1-CG 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.05Å; L114-L118 WeakPolarHBondContact O-CG 3.34Å; L114-L118 PolarHBondContact O-N 3.3Å
115E94.3Very high83.3Confident89 Ų8967.6 Ų67.642%0.41634%0.338SS..Hα-helixtrans-60-41.3179.5-169.2-176.5-173.200111.5F110 R111 S112 L118 E119F110-E115 HydrophobicContact CD1-CB 4.5Å; F110-E115 HydrophobicContact CD1-CG 4.13Å; R111-E115 PolarHBondContact N-OE2 3.19Å; S112-E115 PolarHBondContact O-N 3.22Å; S112-E115 PolarHBondContact OG-N 2.86Å; S112-E115 VanDerWaalsContact OG-N 3.15Å; E115-L118 PolarHBondContact O-N 3.22Å; E115-E119 WeakPolarHBondContact O-CB 3.48Å; E115-E119 PolarHBondContact O-N 3.37Å
116L93.7Very high85.3Confident0 Ų066.2 Ų66.20%033%0.331CS..Hα-helixtrans-61.1-46.8174.3172.574.1000112.3I47 L50 L54 F110 S112 G113 L114 E119 L120I47-L116 HydrophobicContact CG2-CD2 4.47Å; L50-L116 HydrophobicContact CB-CD1 4.27Å; L50-L116 HydrophobicContact CB-CD2 3.56Å; L50-L116 HydrophobicContact CB-CG 4.48Å; L50-L116 HydrophobicContact CD1-CD2 3.55Å; L50-L116 HydrophobicContact CG-CD2 4.18Å; L54-L116 HydrophobicContact CD1-CD1 3.48Å; L54-L116 VanDerWaalsContact CD1-CD1 3.48Å; F110-L116 HydrophobicContact CB-CB 3.99Å; F110-L116 HydrophobicContact CD1-CB 4.15Å; F110-L116 HydrophobicContact CD1-CD1 4.46Å; F110-L116 HydrophobicContact CD2-CB 4.2Å; F110-L116 HydrophobicContact CD2-CD1 3.41Å; F110-L116 VanDerWaalsContact CD2-CD1 3.41Å; F110-L116 HydrophobicContact CD2-CG 4.38Å; F110-L116 HydrophobicContact CE1-CD1 4.49Å; F110-L116 HydrophobicContact CE2-CD1 3.43Å; F110-L116 VanDerWaalsContact CE2-CD1 3.43Å; F110-L116 HydrophobicContact CG-CB 3.83Å; F110-L116 HydrophobicContact CG-CD1 3.94Å; F110-L116 HydrophobicContact CZ-CD1 4Å; S112-L116 PolarHBondContact O-N 3.14Å; G113-L116 PolarHBondContact O-N 2.96Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 2.88Å; L116-E119 PolarHBondContact O-N 3.14Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 3.35Å
117L95.1Very high87.5Confident0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-66.9-37-179.8-68.6174.7000112.2F35 V38 G113 L114 L120 E121 L126 L134F35-L117 HydrophobicContact CB-CB 4.12Å; F35-L117 HydrophobicContact CB-CD1 4Å; F35-L117 HydrophobicContact CD1-CB 3.95Å; F35-L117 HydrophobicContact CD1-CD1 3.96Å; F35-L117 HydrophobicContact CD1-CG 4.42Å; F35-L117 HydrophobicContact CD2-CB 3.93Å; F35-L117 HydrophobicContact CE1-CB 4.29Å; F35-L117 HydrophobicContact CE2-CB 4.27Å; F35-L117 HydrophobicContact CG-CB 3.76Å; F35-L117 HydrophobicContact CG-CD1 4.14Å; F35-L117 HydrophobicContact CZ-CB 4.45Å; V38-L117 HydrophobicContact CB-CD1 4.24Å; V38-L117 HydrophobicContact CG1-CD1 4.18Å; G113-L117 VanDerWaalsContact O-CG 3.24Å; G113-L117 WeakPolarHBondContact O-CG 3.47Å; G113-L117 PolarHBondContact O-N 3.08Å; L114-L117 PolarHBondContact O-N 2.8Å; L117-L120 HydrophobicContact CD2-CD1 4.06Å; L117-L120 WeakPolarHBondContact O-CB 3.33Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-E121 PolarHBondContact O-N 3.21Å; L117-E121 VanDerWaalsContact O-N 3.08Å; L117-L126 HydrophobicContact CD2-CD1 4.15Å; L117-L134 HydrophobicContact CD2-CD1 3.58Å; L117-L134 HydrophobicContact CD2-CD2 4.33Å
118L93.8Very high89.1Confident65 Ų6561.9 Ų61.934%0.3430%0.304SS..Hα-helixtrans-65.7-39.1173.5-70.6170.9000111.9F35 L114 E115 L120 E121 K122F35-L118 HydrophobicContact CD2-CD2 3.99Å; F35-L118 HydrophobicContact CD2-CG 4.41Å; F35-L118 HydrophobicContact CE2-CD2 4.43Å; L114-L118 HydrophobicContact CD1-CD1 4.17Å; L114-L118 HydrophobicContact CD1-CG 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.05Å; L114-L118 WeakPolarHBondContact O-CG 3.34Å; L114-L118 PolarHBondContact O-N 3.3Å; E115-L118 PolarHBondContact O-N 3.22Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 3.18Å; L118-E121 PolarHBondContact O-N 2.93Å; L118-K122 WeakPolarHBondContact O-CB 3.37Å; L118-K122 PolarHBondContact O-N 3.06Å
119E91.5Very high90.2Very high37 Ų3763.9 Ų63.917%0.17333%0.334CS..Hα-helixtrans-66.9-34.8175.9-17563.4-159.600111.4L108 F110 E115 L116 K122 R123L108-E119 HydrophobicContact CD2-CG 4.47Å; F110-E119 HydrophobicContact CE1-CB 3.6Å; F110-E119 HydrophobicContact CE1-CG 3.72Å; F110-E119 HydrophobicContact CZ-CB 4.09Å; F110-E119 HydrophobicContact CZ-CG 3.87Å; E115-E119 WeakPolarHBondContact O-CB 3.48Å; E115-E119 PolarHBondContact O-N 3.37Å; L116-E119 PolarHBondContact O-N 3.14Å; E119-K122 PolarHBondContact O-N 3.44Å; E119-K122 IonicContact OE2-NZ 3.09Å; E119-K122 PolarHBondContact OE2-NZ 3.44Å; E119-R123 WeakPolarHBondContact O-CB 3.38Å; E119-R123 WeakPolarHBondContact O-CG 3.28Å; E119-R123 PolarHBondContact O-N 3.07Å; E119-R123 IonicContact OE1-CZ 3.42Å; E119-R123 IonicContact OE1-NE 3.96Å; E119-R123 PolarHBondContact OE1-NE 3.02Å; E119-R123 IonicContact OE1-NH2 3.39Å; E119-R123 PolarHBondContact OE1-NH2 3.19Å
120L90.8Very high90.9Very high4 Ų460 Ų602%0.02132%0.32CS..Hα-helixtrans-61.8-42.9171.8-77.3170.6000112.8L54 L116 L117 L118 R123 G124 Y125 L126 L137L54-L120 HydrophobicContact CD1-CD1 4.5Å; L54-L120 HydrophobicContact CD1-CD2 3.6Å; L54-L120 HydrophobicContact CD1-CG 3.89Å; L54-L120 HydrophobicContact CD2-CD2 3.2Å; L54-L120 HydrophobicContact CD2-CG 4.36Å; L54-L120 HydrophobicContact CG-CD2 3.89Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 3.35Å; L117-L120 HydrophobicContact CD2-CD1 4.06Å; L117-L120 WeakPolarHBondContact O-CB 3.33Å; L117-L120 PolarHBondContact O-N 2.94Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 3.18Å; L120-R123 PolarHBondContact O-N 3.24Å; L120-G124 PolarHBondContact O-N 2.9Å; L120-Y125 HydrophobicContact CD2-CD2 3.89Å; L120-Y125 HydrophobicContact CD2-CG 4.27Å; L120-Y125 PolarHBondContact O-N 2.9Å; L120-L126 HydrophobicContact CB-CD1 3.69Å; L120-L126 HydrophobicContact CB-CG 3.93Å; L120-L126 HydrophobicContact CD1-CD1 3.91Å; L120-L126 HydrophobicContact CG-CD1 4.43Å; L120-L137 HydrophobicContact CD1-CD1 4.45Å
121E92.2Very high91.3Very high56 Ų5660.3 Ų60.326%0.26232%0.323SS..Hα-helixtrans-64.8-46.7174.9-179.4-169.7-177.700111.5L31 H32 F35 L117 L118 R123 G124L31-E121 HydrophobicContact CD2-CG 4.1Å; L31-E121 WeakPolarHBondContact CD2-OE1 3.42Å; H32-E121 IonicContact CD2-OE2 3.74Å; H32-E121 IonicContact NE2-OE1 3.6Å; H32-E121 IonicContact NE2-OE2 3.31Å; H32-E121 PolarHBondContact NE2-OE2 2.81Å; F35-E121 HydrophobicContact CE2-CB 3.93Å; F35-E121 WeakPolarHBondContact CE2-OE2 3.46Å; F35-E121 HydrophobicContact CZ-CB 4.25Å; L117-E121 PolarHBondContact O-N 3.21Å; L117-E121 VanDerWaalsContact O-N 3.08Å; L118-E121 PolarHBondContact O-N 2.93Å; E121-R123 PolarHBondContact O-N 3.15Å; E121-G124 WeakPolarHBondContact O-CA 3.47Å; E121-G124 PolarHBondContact O-N 3.28Å
122K89.6Confident91.6Very high157 Ų15756.3 Ų56.368%0.68331%0.314SS*.Hα-helixtrans-59.4-31.8177.5-178.6-179.6163.1-154.50112.5L118 E119 G124L118-K122 WeakPolarHBondContact O-CB 3.37Å; L118-K122 PolarHBondContact O-N 3.06Å; E119-K122 PolarHBondContact O-N 3.44Å; E119-K122 IonicContact OE2-NZ 3.09Å; E119-K122 PolarHBondContact OE2-NZ 3.44Å; K122-G124 VanDerWaalsContact C-N 3.29Å
123R83.3Confident91.6Very high56 Ų5656.1 Ų56.121%0.21131%0.312CS..THydrogen-bonded Turntrans-80.6-7.8173.4-69.6176.4-171.4-159.65.3113.5E119 L120 E121 Y125E119-R123 WeakPolarHBondContact O-CB 3.38Å; E119-R123 WeakPolarHBondContact O-CG 3.28Å; E119-R123 PolarHBondContact O-N 3.07Å; E119-R123 IonicContact OE1-CZ 3.42Å; E119-R123 IonicContact OE1-NE 3.96Å; E119-R123 PolarHBondContact OE1-NE 3.02Å; E119-R123 IonicContact OE1-NH2 3.39Å; E119-R123 PolarHBondContact OE1-NH2 3.19Å; L120-R123 PolarHBondContact O-N 3.24Å; E121-R123 PolarHBondContact O-N 3.15Å; R123-Y125 HydrophobicContact CB-CD2 3.61Å; R123-Y125 HydrophobicContact CB-CE2 3.7Å; R123-Y125 HydrophobicContact CG-CE2 4.49Å
124G87.7Confident91.6Very high60 Ų6056.2 Ų56.262%0.61931%0.312SS*.THydrogen-bonded Turntrans82.111.6177.600000114.7L120 E121 K122L120-G124 PolarHBondContact O-N 2.9Å; E121-G124 WeakPolarHBondContact O-CA 3.47Å; E121-G124 PolarHBondContact O-N 3.28Å; K122-G124 VanDerWaalsContact C-N 3.29Å
125Y88.5Confident91.6Very high84 Ų8456 Ų5633%0.32931%0.311SS..SBendtrans-74.1-30.9174.8-67.2-70000112.1L54 L120 R123 P133L54-Y125 HydrophobicContact CD2-CD2 4.29Å; L54-Y125 HydrophobicContact CD2-CE2 4.12Å; L120-Y125 HydrophobicContact CD2-CD2 3.89Å; L120-Y125 HydrophobicContact CD2-CG 4.27Å; L120-Y125 PolarHBondContact O-N 2.9Å; R123-Y125 HydrophobicContact CB-CD2 3.61Å; R123-Y125 HydrophobicContact CB-CE2 3.7Å; R123-Y125 HydrophobicContact CG-CE2 4.49Å; Y125-P133 WeakPolarHBondContact O-CG 3.45Å
126L92.6Very high91.6Very high3 Ų356.7 Ų56.72%0.01631%0.314CS..  trans-120143.2-179.8-57.9-179.1000110.3F35 L117 L120 P133 L134F35-L126 HydrophobicContact CE1-CD1 3.92Å; F35-L126 HydrophobicContact CZ-CB 4.1Å; F35-L126 HydrophobicContact CZ-CD1 3.84Å; L117-L126 HydrophobicContact CD2-CD1 4.15Å; L120-L126 HydrophobicContact CB-CD1 3.69Å; L120-L126 HydrophobicContact CB-CG 3.93Å; L120-L126 HydrophobicContact CD1-CD1 3.91Å; L120-L126 HydrophobicContact CG-CD1 4.43Å; L126-P133 HydrophobicContact CD2-CB 4.09Å; L126-L134 HydrophobicContact CD1-CB 4.29Å; L126-L134 HydrophobicContact CD1-CD2 4.41Å; L126-L134 HydrophobicContact CD2-CB 3.63Å
127S92.3Very high91.6Very high55 Ų5558.8 Ų58.839%0.38533%0.325SS..BIsolated β-bridgetrans-152.1166.3170.464.20000110.2G129 N130S127-G129 PolarHBondContact O-N 3.01Å; S127-G129 VanDerWaalsContact O-N 3.12Å; S127-N130 PolarHBondContact N-O 3.05Å; S127-N130 CarbonylContact O-C 3.33Å; S127-N130 PolarHBondContact O-N 3.43Å; S127-N130 PolarHBondContact OG-N 3.05Å
128D89.3Confident91.6Very high99 Ų9958.9 Ų58.953%0.52933%0.325SS..THydrogen-bonded Turntrans-52.4-32.3174-85.6-47.6000113.3L31 H152L31-D128 VanDerWaalsContact CB-OD1 3.27Å; L31-D128 WeakPolarHBondContact CB-OD1 3.46Å; D128-H152 PolarHBondContact O-NE2 2.9Å; D128-H152 IonicContact OD1-CE1 2.95Å; D128-H152 PolarHBondContact OD1-CE1 3.13Å; D128-H152 IonicContact OD1-ND1 3.94Å
129G88.2Confident91.6Very high80 Ų8062.2 Ų62.283%0.82533%0.333SS*.THydrogen-bonded Turntrans-89-13.917900000114.4S127S127-G129 PolarHBondContact O-N 3.01Å; S127-G129 VanDerWaalsContact O-N 3.12Å
130N90.8Very high91.7Very high70 Ų7065 Ų6537%0.37435%0.353SS..BIsolated β-bridgetrans-141.393.6-172.3-172.715.5000112S127 E132 P133S127-N130 PolarHBondContact N-O 3.05Å; S127-N130 CarbonylContact O-C 3.33Å; S127-N130 PolarHBondContact O-N 3.43Å; S127-N130 PolarHBondContact OG-N 3.05Å; N130-E132 PolarHBondContact OD1-N 3.36Å; N130-P133 VanDerWaalsContact OD1-CD 3.32Å; N130-P133 WeakPolarHBondContact OD1-CD 3.21Å
131L93.7Very high91.8Very high20 Ų2066 Ų6611%0.10536%0.358CS..  trans-106.64.2174.8-62.1180000113.1L31 M34 L134 L135 V150 H152L31-L131 HydrophobicContact CD1-CD2 3.69Å; M34-L131 HydrophobicContact CE-CD1 3.99Å; M34-L131 HydrophobicContact CE-CD2 3.72Å; L131-L134 PolarHBondContact O-N 3.19Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.2Å; L131-V150 HydrophobicContact CB-CG1 3.9Å; L131-V150 HydrophobicContact CD1-CG1 3.88Å; L131-V150 HydrophobicContact CG-CG1 4.42Å; L131-H152 WeakPolarHBondContact CD1-NE2 3.28Å
132E93.8Very high91.9Very high146 Ų14668.4 Ų68.468%0.68238%0.376SS*.Hα-helixtrans-58.3-41.2-180-175.3171.7-162.700112.7N130 L134 L135 Q136N130-E132 PolarHBondContact OD1-N 3.36Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.12Å; E132-L135 PolarHBondContact O-N 3.26Å; E132-Q136 PolarHBondContact O-N 2.97Å
133P93Very high92.2Very high45 Ų4563.3 Ų63.329%0.29235%0.353SS..Hα-helixtrans-60.5-41.9175.7-26.237.5000112.6Y125 L126 N130 Q136 L137Y125-P133 WeakPolarHBondContact O-CG 3.45Å; L126-P133 HydrophobicContact CD2-CB 4.09Å; N130-P133 VanDerWaalsContact OD1-CD 3.32Å; N130-P133 WeakPolarHBondContact OD1-CD 3.21Å; P133-Q136 PolarHBondContact O-N 3.31Å; P133-L137 VanDerWaalsContact O-CG 3.31Å; P133-L137 WeakPolarHBondContact O-CG 3.27Å; P133-L137 PolarHBondContact O-N 2.87Å
134L94Very high92.8Very high2 Ų265.9 Ų65.91%0.0137%0.367CS..Hα-helixtrans-64-44.1177.2179.957.1000111.6M34 F35 L117 L126 L131 E132 Q136 L137 L138 V150M34-L134 HydrophobicContact CE-CD2 4.15Å; M34-L134 HydrophobicContact SD-CD2 4.05Å; F35-L134 HydrophobicContact CE1-CD2 4.39Å; L117-L134 HydrophobicContact CD2-CD1 3.58Å; L117-L134 HydrophobicContact CD2-CD2 4.33Å; L126-L134 HydrophobicContact CD1-CB 4.29Å; L126-L134 HydrophobicContact CD1-CD2 4.41Å; L126-L134 HydrophobicContact CD2-CB 3.63Å; L131-L134 PolarHBondContact O-N 3.19Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.12Å; L134-Q136 VanDerWaalsContact C-N 3.26Å; L134-Q136 PolarHBondContact O-N 3.12Å; L134-L137 PolarHBondContact O-N 3.28Å; L134-L138 HydrophobicContact CD1-CD1 4.37Å; L134-L138 HydrophobicContact CD1-CG 4.27Å; L134-L138 HydrophobicContact CG-CD1 4.27Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.46Å; L134-L138 PolarHBondContact O-N 3.34Å; L134-V150 HydrophobicContact CD2-CG1 4.02Å; L134-V150 HydrophobicContact CD2-CG2 4.05Å; L134-V150 HydrophobicContact CG-CG1 4.36Å; L134-V150 HydrophobicContact CG-CG2 4.22Å
135L95.2Very high93.2Very high49 Ų4966.4 Ų66.426%0.25736%0.356SS..Hα-helixtrans-59.7-38.8175.6-71.2170.7000111.8L131 E132 R139 L147 V150L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.2Å; E132-L135 PolarHBondContact O-N 3.26Å; L135-R139 VanDerWaalsContact O-CG 3.28Å; L135-R139 WeakPolarHBondContact O-CG 3.5Å; L135-R139 PolarHBondContact O-N 2.7Å; L135-R139 VanDerWaalsContact O-N 3.17Å; L135-L147 HydrophobicContact CB-CD2 4.43Å; L135-L147 HydrophobicContact CD2-CB 4.41Å; L135-L147 HydrophobicContact CD2-CD2 3.69Å; L135-V150 HydrophobicContact CD2-CB 3.67Å; L135-V150 HydrophobicContact CD2-CG1 3.78Å; L135-V150 HydrophobicContact CD2-CG2 4.22Å; L135-V150 HydrophobicContact CG-CB 4.39Å; L135-V150 HydrophobicContact CG-CG1 3.93Å
136Q94.9Very high93.5Very high103 Ų10362.4 Ų62.448%0.48134%0.34SS..Hα-helixtrans-70-44.2178.3-170.771.3-22.800111.8E132 P133 L134 L138 R139 V140E132-Q136 PolarHBondContact O-N 2.97Å; P133-Q136 PolarHBondContact O-N 3.31Å; L134-Q136 VanDerWaalsContact C-N 3.26Å; L134-Q136 PolarHBondContact O-N 3.12Å; Q136-L138 VanDerWaalsContact C-N 3.33Å; Q136-L138 PolarHBondContact O-N 3.38Å; Q136-R139 WeakPolarHBondContact O-CB 3.17Å; Q136-R139 PolarHBondContact O-N 3.31Å; Q136-R139 VanDerWaalsContact O-N 3.13Å; Q136-V140 WeakPolarHBondContact O-CG2 3.21Å; Q136-V140 PolarHBondContact O-N 2.87Å
137L92.8Very high93.5Very high44 Ų4464.1 Ų64.123%0.2335%0.349CS..Hα-helixtrans-57.4-46.3175.3-73.9171.2000111.3L50 L53 L120 P133 L134 R139 V140 L141L50-L137 HydrophobicContact CD2-CB 3.99Å; L50-L137 HydrophobicContact CD2-CD1 4.1Å; L50-L137 HydrophobicContact CD2-CD2 3.77Å; L50-L137 HydrophobicContact CD2-CG 4.16Å; L53-L137 HydrophobicContact CD1-CD2 4.38Å; L120-L137 HydrophobicContact CD1-CD1 4.45Å; P133-L137 VanDerWaalsContact O-CG 3.31Å; P133-L137 WeakPolarHBondContact O-CG 3.27Å; P133-L137 PolarHBondContact O-N 2.87Å; L134-L137 PolarHBondContact O-N 3.28Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.09Å; L137-V140 PolarHBondContact O-N 3.35Å; L137-V140 VanDerWaalsContact O-N 3.16Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 3.43Å
138L95.1Very high93.5Very high1 Ų163.8 Ų63.81%0.00535%0.345CS..Hα-helixtrans-62.4-33.5177.3-69.8174.8000113V38 L42 L134 Q136 T142 R143 L146 L147 V150V38-L138 HydrophobicContact CG1-CD1 4.47Å; L42-L138 HydrophobicContact CD2-CD2 4.07Å; L134-L138 HydrophobicContact CD1-CD1 4.37Å; L134-L138 HydrophobicContact CD1-CG 4.27Å; L134-L138 HydrophobicContact CG-CD1 4.27Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.46Å; L134-L138 PolarHBondContact O-N 3.34Å; Q136-L138 VanDerWaalsContact C-N 3.33Å; Q136-L138 PolarHBondContact O-N 3.38Å; L138-T142 PolarHBondContact O-N 3.26Å; L138-R143 HydrophobicContact CD2-CB 4.04Å; L138-R143 PolarHBondContact O-N 3.02Å; L138-L146 HydrophobicContact CD1-CB 3.92Å; L138-L146 HydrophobicContact CD2-CB 4.05Å; L138-L146 HydrophobicContact CD2-CD1 3.93Å; L138-L147 HydrophobicContact CB-CD2 3.7Å; L138-L147 HydrophobicContact CD1-CD2 4.12Å; L138-V150 HydrophobicContact CD1-CG2 3.48Å; L138-V150 VanDerWaalsContact CD1-CG2 3.48Å
139R95.1Very high93.6Very high135 Ų13562.7 Ų62.751%0.50934%0.336SS..Hα-helixtrans-67.4-43.7173.4-72.2167-179.4-172.51.4111.8L135 Q136 L137 L141 T142 L147L135-R139 VanDerWaalsContact O-CG 3.28Å; L135-R139 WeakPolarHBondContact O-CG 3.5Å; L135-R139 PolarHBondContact O-N 2.7Å; L135-R139 VanDerWaalsContact O-N 3.17Å; Q136-R139 WeakPolarHBondContact O-CB 3.17Å; Q136-R139 PolarHBondContact O-N 3.31Å; Q136-R139 VanDerWaalsContact O-N 3.13Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.09Å; R139-L141 VanDerWaalsContact C-N 3.35Å; R139-T142 PolarHBondContact O-N 2.78Å; R139-L147 HydrophobicContact CG-CD1 4.18Å; R139-L147 HydrophobicContact CG-CD2 4.33Å
140V93.4Very high93.8Very high96 Ų9659.5 Ų59.558%0.58230%0.301SS*.Hα-helixtrans-63.3-42.1178.7172.50000110.9Q136 L137 T142Q136-V140 WeakPolarHBondContact O-CG2 3.21Å; Q136-V140 PolarHBondContact O-N 2.87Å; L137-V140 PolarHBondContact O-N 3.35Å; L137-V140 VanDerWaalsContact O-N 3.16Å; V140-T142 PolarHBondContact O-N 3.03Å
141L92.8Very high93.6Very high26 Ų2658.6 Ų58.614%0.13630%0.3CS..THydrogen-bonded Turntrans-74.1-0.6174.3-64.1178.5000114D46 A49 L50 L137 R139 R143D46-L141 HydrophobicContact CB-CD1 4.1Å; A49-L141 HydrophobicContact CB-CD2 3.75Å; L50-L141 HydrophobicContact CD1-CD1 3.71Å; L50-L141 HydrophobicContact CD2-CD1 3.76Å; L50-L141 HydrophobicContact CD2-CG 4.35Å; L50-L141 HydrophobicContact CG-CD1 3.64Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 3.43Å; R139-L141 VanDerWaalsContact C-N 3.35Å; L141-R143 HydrophobicContact CB-CG 4.14Å; L141-R143 PolarHBondContact O-N 2.76Å; L141-R143 VanDerWaalsContact O-N 3.15Å
142T94.5Very high93.2Very high105 Ų10559.4 Ų59.464%0.64430%0.303SS*.THydrogen-bonded Turntrans6213.4-175.773.70000115.6L138 R139 V140 H144L138-T142 PolarHBondContact O-N 3.26Å; R139-T142 PolarHBondContact O-N 2.78Å; V140-T142 PolarHBondContact O-N 3.03Å; T142-H144 VanDerWaalsContact C-ND1 3.35Å; T142-H144 PolarHBondContact O-N 3.45Å; T142-H144 PolarHBondContact O-ND1 3.34Å
143R95.2Very high92.7Very high51 Ų5160 Ų6019%0.19230%0.303CS..  trans-79.759.4175.7-63.2-68.1-72.5134.85.3112Q41 D46 L138 L141 D145 L146Q41-R143 PolarHBondContact O-NH2 2.74Å; D46-R143 WeakPolarHBondContact OD2-CD 3.28Å; D46-R143 IonicContact OD2-NE 3.01Å; D46-R143 PolarHBondContact OD2-NE 3.34Å; L138-R143 HydrophobicContact CD2-CB 4.04Å; L138-R143 PolarHBondContact O-N 3.02Å; L141-R143 HydrophobicContact CB-CG 4.14Å; L141-R143 PolarHBondContact O-N 2.76Å; L141-R143 VanDerWaalsContact O-N 3.15Å; R143-D145 VanDerWaalsContact C-OD1 3.25Å; R143-D145 WeakPolarHBondContact CA-OD1 3.34Å; R143-D145 IonicContact CZ-OD1 2.7Å; R143-D145 IonicContact CZ-OD2 3.37Å; R143-D145 IonicContact NE-OD1 2.86Å; R143-D145 IonicContact NH1-OD1 3.48Å; R143-D145 PolarHBondContact NH1-OD1 2.95Å; R143-D145 IonicContact NH1-OD2 3.24Å; R143-D145 PolarHBondContact NH1-OD2 3.26Å; R143-D145 IonicContact NH2-OD1 3.17Å; R143-D145 IonicContact NH2-OD2 3.57Å; R143-D145 PolarHBondContact NH2-OD2 3.44Å; R143-D145 PolarHBondContact O-N 3.4Å; R143-L146 HydrophobicContact CB-CD1 4.09Å; R143-L146 HydrophobicContact CB-CG 4.23Å; R143-L146 PolarHBondContact O-N 3Å; R143-L146 VanDerWaalsContact O-N 3.15Å
144H96.4Very high92.1Very high109 Ų10960.7 Ų60.751%0.50530%0.302SS..THydrogen-bonded Turntrans-67-23-178.6-63.884.4000113.5T142 L146 L147 P148T142-H144 VanDerWaalsContact C-ND1 3.35Å; T142-H144 PolarHBondContact O-N 3.45Å; T142-H144 PolarHBondContact O-ND1 3.34Å; H144-L146 PolarHBondContact O-N 3.27Å; H144-L147 HydrophobicContact CB-CD1 4.33Å; H144-L147 PolarHBondContact O-N 3.11Å; H144-P148 WeakPolarHBondContact O-CD 3.45Å
145D94.8Very high91Very high71 Ų7169.5 Ų69.538%0.3834%0.335SS..THydrogen-bonded Turntrans-64.5-24.1173.959.2-49000112.7R143 P148 F149R143-D145 VanDerWaalsContact C-OD1 3.25Å; R143-D145 WeakPolarHBondContact CA-OD1 3.34Å; R143-D145 IonicContact CZ-OD1 2.7Å; R143-D145 IonicContact CZ-OD2 3.37Å; R143-D145 IonicContact NE-OD1 2.86Å; R143-D145 IonicContact NH1-OD1 3.48Å; R143-D145 PolarHBondContact NH1-OD1 2.95Å; R143-D145 IonicContact NH1-OD2 3.24Å; R143-D145 PolarHBondContact NH1-OD2 3.26Å; R143-D145 IonicContact NH2-OD1 3.17Å; R143-D145 IonicContact NH2-OD2 3.57Å; R143-D145 PolarHBondContact NH2-OD2 3.44Å; R143-D145 PolarHBondContact O-N 3.4Å; D145-P148 WeakPolarHBondContact O-CD 3.21Å; D145-F149 WeakPolarHBondContact O-CD2 2.97Å; D145-F149 WeakPolarHBondContact O-CE2 3.38Å
146L94.8Very high89.6Confident0 Ų073.9 Ų73.90%035%0.348CS..THydrogen-bonded Turntrans-86.6-23.1-179.9-58.3-173000114V38 Q41 L42 L138 R143 H144 P148 F149 V150V38-L146 HydrophobicContact CG1-CD1 4.32Å; Q41-L146 HydrophobicContact CB-CD1 4.21Å; Q41-L146 HydrophobicContact CB-CD2 3.43Å; Q41-L146 VanDerWaalsContact CB-CD2 3.43Å; Q41-L146 HydrophobicContact CB-CG 4.48Å; Q41-L146 VanDerWaalsContact CD-CD2 3.47Å; Q41-L146 HydrophobicContact CG-CD2 4.08Å; L42-L146 HydrophobicContact CD2-CD1 3.78Å; L42-L146 HydrophobicContact CG-CD1 4.42Å; L138-L146 HydrophobicContact CD1-CB 3.92Å; L138-L146 HydrophobicContact CD2-CB 4.05Å; L138-L146 HydrophobicContact CD2-CD1 3.93Å; R143-L146 HydrophobicContact CB-CD1 4.09Å; R143-L146 HydrophobicContact CB-CG 4.23Å; R143-L146 PolarHBondContact O-N 3Å; R143-L146 VanDerWaalsContact O-N 3.15Å; H144-L146 PolarHBondContact O-N 3.27Å; L146-P148 VanDerWaalsContact C-CD 3.49Å; L146-P148 VanDerWaalsContact C-N 3.33Å; L146-F149 HydrophobicContact CD2-CD2 4.37Å; L146-F149 WeakPolarHBondContact O-CB 3.15Å; L146-F149 PolarHBondContact O-N 3.06Å; L146-V150 PolarHBondContact O-N 2.78Å
147L94.3Very high87.9Confident40 Ų4075.5 Ų75.521%0.20937%0.365CS..G310 helixtrans-53.4-41.7178.3-54.6173.4000113.4L135 L138 R139 H144 F149 V150L135-L147 HydrophobicContact CB-CD2 4.43Å; L135-L147 HydrophobicContact CD2-CB 4.41Å; L135-L147 HydrophobicContact CD2-CD2 3.69Å; L138-L147 HydrophobicContact CB-CD2 3.7Å; L138-L147 HydrophobicContact CD1-CD2 4.12Å; R139-L147 HydrophobicContact CG-CD1 4.18Å; R139-L147 HydrophobicContact CG-CD2 4.33Å; H144-L147 HydrophobicContact CB-CD1 4.33Å; H144-L147 PolarHBondContact O-N 3.11Å; L147-F149 PolarHBondContact O-N 3.1Å; L147-F149 VanDerWaalsContact O-N 3.12Å; L147-V150 PolarHBondContact O-N 3.38Å
148P91.6Very high85.8Confident47 Ų4779.8 Ų79.831%0.30539%0.393SS..G310 helixtrans-48.5-27.4168.7-38.842.7000117.9H144 D145 L146 R155H144-P148 WeakPolarHBondContact O-CD 3.45Å; D145-P148 WeakPolarHBondContact O-CD 3.21Å; L146-P148 VanDerWaalsContact C-CD 3.49Å; L146-P148 VanDerWaalsContact C-N 3.33Å; P148-R155 VanDerWaalsContact CB-NH2 3.27Å; P148-R155 PolarHBondContact O-NE 3.21Å; P148-R155 PolarHBondContact O-NH2 2.82Å
149F91.5Very high83.7Confident76 Ų7684.6 Ų84.633%0.33343%0.427SS..G310 helixtrans-99.3-15.7-174.3-60.1-80.3000112.8M34 V37 V38 D145 L146 L147 S151M34-F149 WeakPolarHBondContact CG-O 3.49Å; V37-F149 HydrophobicContact CG1-CB 4.06Å; V37-F149 HydrophobicContact CG1-CD1 3.69Å; V37-F149 HydrophobicContact CG1-CE1 4.41Å; V37-F149 HydrophobicContact CG1-CG 4.05Å; V38-F149 HydrophobicContact CG2-CB 4.04Å; D145-F149 WeakPolarHBondContact O-CD2 2.97Å; D145-F149 WeakPolarHBondContact O-CE2 3.38Å; L146-F149 HydrophobicContact CD2-CD2 4.37Å; L146-F149 WeakPolarHBondContact O-CB 3.15Å; L146-F149 PolarHBondContact O-N 3.06Å; L147-F149 PolarHBondContact O-N 3.1Å; L147-F149 VanDerWaalsContact O-N 3.12Å; F149-S151 PolarHBondContact O-N 3.04Å
150V92.8Very high81.9Confident14 Ų1482.6 Ų82.69%0.08543%0.431CS..SBendtrans-78.569.3171.4-173.10000108.8M34 V38 L131 L134 L135 L138 L146 L147M34-V150 HydrophobicContact SD-CG1 4.48Å; V38-V150 HydrophobicContact CG2-CG2 4Å; L131-V150 HydrophobicContact CB-CG1 3.9Å; L131-V150 HydrophobicContact CD1-CG1 3.88Å; L131-V150 HydrophobicContact CG-CG1 4.42Å; L134-V150 HydrophobicContact CD2-CG1 4.02Å; L134-V150 HydrophobicContact CD2-CG2 4.05Å; L134-V150 HydrophobicContact CG-CG1 4.36Å; L134-V150 HydrophobicContact CG-CG2 4.22Å; L135-V150 HydrophobicContact CD2-CB 3.67Å; L135-V150 HydrophobicContact CD2-CG1 3.78Å; L135-V150 HydrophobicContact CD2-CG2 4.22Å; L135-V150 HydrophobicContact CG-CB 4.39Å; L135-V150 HydrophobicContact CG-CG1 3.93Å; L138-V150 HydrophobicContact CD1-CG2 3.48Å; L138-V150 VanDerWaalsContact CD1-CG2 3.48Å; L146-V150 PolarHBondContact O-N 2.78Å; L147-V150 PolarHBondContact O-N 3.38Å
151S86.6Confident80.2Confident51 Ų5186 Ų8636%0.35744%0.44SS..SBendtrans-152.9139.6175.6-177.10000109.1F149 K153F149-S151 PolarHBondContact O-N 3.04Å; S151-K153 PolarHBondContact O-N 3.28Å; S151-K153 VanDerWaalsContact O-N 3.12Å; S151-K153 PolarHBondContact OG-N 3.14Å
152H83.8Confident78.4Confident37 Ų3796.4 Ų96.417%0.17148%0.478CS..SBendtrans-68.9-3170.5-63.3-84.1000112.9M28 L29 D128 L131M28-H152 CarbonylContact C-O 3.6Å; M28-H152 WeakPolarHBondContact CA-O 3.44Å; M28-H152 WeakPolarHBondContact CB-O 3.28Å; M28-H152 HydrophobicContact CE-CB 3.83Å; L29-H152 PolarHBondContact N-O 2.85Å; L29-H152 PolarHBondContact O-ND1 3.33Å; D128-H152 PolarHBondContact O-NE2 2.9Å; D128-H152 IonicContact OD1-CE1 2.95Å; D128-H152 PolarHBondContact OD1-CE1 3.13Å; D128-H152 IonicContact OD1-ND1 3.94Å; L131-H152 WeakPolarHBondContact CD1-NE2 3.28Å
153K83.6Confident76.5Confident157 Ų15798.2 Ų98.268%0.68348%0.482SS*.BIsolated β-bridgetrans-99.6122-176.7-168.3173.4178.4177.90111.4S151 R155S151-K153 PolarHBondContact O-N 3.28Å; S151-K153 VanDerWaalsContact O-N 3.12Å; S151-K153 PolarHBondContact OG-N 3.14Å; K153-R155 PolarHBondContact O-N 3.33Å
154K80.2Confident74.2Confident61 Ų6199 Ų9927%0.26551%0.506SS..  trans-63.3128.1173-65.8-180170175.70109.2N24 G27 M28 L29 E33 R156N24-K154 PolarHBondContact OD1-NZ 3.12Å; G27-K154 WeakPolarHBondContact O-CB 2.91Å; G27-K154 WeakPolarHBondContact O-CG 3.29Å; G27-K154 PolarHBondContact O-N 3.42Å; M28-K154 WeakPolarHBondContact O-CE 3.43Å; L29-K154 HydrophobicContact CD1-CG 4.38Å; L29-K154 HydrophobicContact CD2-CD 4.2Å; L29-K154 HydrophobicContact CD2-CG 3.94Å; L29-K154 HydrophobicContact CG-CD 4.39Å; L29-K154 HydrophobicContact CG-CG 3.67Å; E33-K154 IonicContact OE1-NZ 3.14Å; E33-K154 PolarHBondContact OE1-NZ 2.94Å; K154-R156 PolarHBondContact O-N 2.9Å
155R71.8Confident71.5Confident187 Ų187100.6 Ų100.671%0.70651%0.514SS*.  trans-72.698.3172.6-70.4-178173-125.3-12.6108.6P148 K153P148-R155 VanDerWaalsContact CB-NH2 3.27Å; P148-R155 PolarHBondContact O-NE 3.21Å; P148-R155 PolarHBondContact O-NH2 2.82Å; K153-R155 PolarHBondContact O-N 3.33Å
156R66.4Low68.8Low141 Ų141108.4 Ų108.453%0.53254%0.538SS..  trans-91.4125.2174.5-66.1-175.1-179.9178.6-0.3109.9N24 K154 V158N24-R156 PolarHBondContact O-NH2 2.76Å; K154-R156 PolarHBondContact O-N 2.9Å; R156-V158 PolarHBondContact O-N 2.93Å
157T57.8Low66.4Low137 Ų137115.9 Ų115.984%0.8457%0.571SS**  trans-71.399169.5-59.60000108
158V49.8Very low63.9Low133 Ų133122.8 Ų122.881%0.80660%0.602SS**SBendtrans30119.9169.3-720000119.8R156R156-V158 PolarHBondContact O-N 2.93Å
159S49.6Very low61.6Low103 Ų103126.2 Ų126.272%0.7262%0.617SS**  trans78.1110.8176.2-154.30000115.8E161S159-E161 PolarHBondContact O-N 3.26Å
160P58.1Low59.3Low92 Ų92130.1 Ų130.160%0.59764%0.641SS**  trans-63.6107.3163.5-621000107.5R162P160-R162 PolarHBondContact O-N 2.89Å
161E58.5Low56.6Low167 Ų167136.9 Ų136.978%0.7867%0.669SS**  trans-57.9113.9158.6-83.8-178.3155.200106.7S159 I163S159-E161 PolarHBondContact O-N 3.26Å; E161-I163 HydrophobicContact CB-CG1 4.41Å; E161-I163 PolarHBondContact O-N 2.82Å
162R55Low54.6Low246 Ų246140.4 Ų140.493%0.92869%0.689SS**  trans-68.886.7163.5-63.9-159.2-166161.13.6105.9P160 G164P160-R162 PolarHBondContact O-N 2.89Å; R162-G164 PolarHBondContact O-N 3.06Å
163I53Low52.7Low142 Ų142147.2 Ų147.273%0.72872%0.721SS**  trans-62.696164.7-64.4146.8000104.4E161 Q165E161-I163 HydrophobicContact CB-CG1 4.41Å; E161-I163 PolarHBondContact O-N 2.82Å; I163-Q165 PolarHBondContact O-N 2.81Å
164G47.1Very low50.6Low67 Ų67147.7 Ų147.769%0.69173%0.73SS**  trans-62.697.2166.200000105.8R162 R166R162-G164 PolarHBondContact O-N 3.06Å; G164-R166 PolarHBondContact O-N 3.08Å
165Q40.5Very low48.8Very low143 Ų143150.7 Ų150.767%0.66875%0.753SS**  trans-62.488.8172.1-163.2169.221.100106.4I163 F167I163-Q165 PolarHBondContact O-N 2.81Å; Q165-F167 HydrophobicContact CB-CE2 4.31Å; Q165-F167 HydrophobicContact CG-CD2 4.12Å; Q165-F167 HydrophobicContact CG-CE2 3.83Å; Q165-F167 HydrophobicContact CG-CZ 4.26Å; Q165-F167 PolarHBondContact O-N 2.85Å
166R38.9Very low47Very low236 Ų236151.3 Ų151.389%0.89176%0.761SS**  trans-63.397.6159.8-74.4-165.3-171.7-159.14.1104.3G164 E168G164-R166 PolarHBondContact O-N 3.08Å; R166-E168 PolarHBondContact O-N 2.85Å
167F42.5Very low45.9Very low156 Ų156147.9 Ų147.968%0.68477%0.77SS**  trans-59.996.3155.2-76.8-89.6000105.5Q165 L169Q165-F167 HydrophobicContact CB-CE2 4.31Å; Q165-F167 HydrophobicContact CG-CD2 4.12Å; Q165-F167 HydrophobicContact CG-CE2 3.83Å; Q165-F167 HydrophobicContact CG-CZ 4.26Å; Q165-F167 PolarHBondContact O-N 2.85Å; F167-L169 PolarHBondContact O-N 3.42Å
168E43.5Very low45Very low186 Ų186148.4 Ų148.487%0.86977%0.767SS**  trans-70.576.1164.8-168.2162.9-154.100106.1R166 D170R166-E168 PolarHBondContact O-N 2.85Å; E168-D170 VanDerWaalsContact C-N 3.26Å; E168-D170 PolarHBondContact O-N 3.09Å; E168-D170 VanDerWaalsContact O-N 3.08Å
169L41.7Very low44.7Very low119 Ų119150.9 Ų150.962%0.62377%0.77SS**  trans-75.692.4168.7-161.498.8000105.3F167 K171F167-L169 PolarHBondContact O-N 3.42Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 HydrophobicContact CD2-CD 3.5Å; L169-K171 VanDerWaalsContact CD2-CD 3.5Å; L169-K171 VanDerWaalsContact CD2-CE 3.5Å; L169-K171 HydrophobicContact CD2-CG 3.82Å; L169-K171 HydrophobicContact CG-CD 4.43Å; L169-K171 HydrophobicContact CG-CG 4.29Å; L169-K171 PolarHBondContact O-N 2.8Å
170D44.8Very low44Very low157 Ų157153.4 Ų153.484%0.8477%0.77SS**  trans-55.897.3170.4-1559.1000108.2E168E168-D170 VanDerWaalsContact C-N 3.26Å; E168-D170 PolarHBondContact O-N 3.09Å; E168-D170 VanDerWaalsContact O-N 3.08Å
171K36.4Very low43.1Very low156 Ų156154.3 Ų154.368%0.67878%0.779SS**  trans-13993.7172.1-78.1-167.1-176.7167.40108.3L169L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 HydrophobicContact CD2-CD 3.5Å; L169-K171 VanDerWaalsContact CD2-CD 3.5Å; L169-K171 VanDerWaalsContact CD2-CE 3.5Å; L169-K171 HydrophobicContact CD2-CG 3.82Å; L169-K171 HydrophobicContact CG-CD 4.43Å; L169-K171 HydrophobicContact CG-CG 4.29Å; L169-K171 PolarHBondContact O-N 2.8Å
172T43.4Very low42Very low125 Ų125152.8 Ų152.877%0.76779%0.785SS**  trans2.8115.6136.833.70000115.4
173E43.6Very low41.2Very low180 Ų180152 Ų15284%0.84178%0.782SS**  trans38.7102.4143.4-61.8-175.2164.500117.8
174L40.1Very low40.5Very low167 Ų167154.1 Ų154.187%0.87479%0.788SS**  trans-146.895.8137.5-121.5135.8000110.5
175V41.7Very low40.2Very low124 Ų124156.8 Ų156.875%0.75279%0.791SS**  trans-58.8127.5158.9170.60000108
176F35.5Very low40.2Very low200 Ų200156.9 Ų156.988%0.87780%0.797SS**  trans-162.4119.2133.6-101.9-74.6000108.9
177G41.6Very low40Very low70 Ų70152.9 Ų152.972%0.72279%0.79SS**  trans-75.8155.1-179.600000113.3
178L39.2Very low40Very low148 Ų148150.3 Ų150.378%0.77579%0.789SS**  trans-154.1101153.7-165.661000109.3
179Q43.8Very low39.9Very low185 Ų185149 Ų14986%0.86479%0.787SS**  trans-68.5121.2163-77179.7-24.100108.6
180H36Very low39.9Very low156 Ų156149.2 Ų149.272%0.72280%0.796SS**  trans-145.2129.4149.8-75.8-60000110.4
181S39.3Very low39.4Very low111 Ų111147.2 Ų147.278%0.77679%0.794SS**PPolyproline II helixtrans-58.1129.3179590000112.7
182C34.5Very low39.4Very low134 Ų134149.4 Ų149.491%0.90580%0.804SS**PPolyproline II helixtrans-96.3117.7158.3-90.20000108.7
183R37.6Very low39.2Very low230 Ų230148.9 Ų148.987%0.86880%0.8SS**PPolyproline II helixtrans-66.7133.6176.7-75.9-162.2154.7-155.4-6.2111.1T185R183-T185 PolarHBondContact O-N 3.02Å
184E38.5Very low39Very low186 Ų186148.8 Ų148.887%0.86980%0.8SS**  trans-47.5114.6160.8-168.4162.2-156.900109.5
185T40.6Very low38.7Very low123 Ų123150 Ų15076%0.75580%0.802SS**  trans-115.5100.5171.2-56.20000106.4R183 M187R183-T185 PolarHBondContact O-N 3.02Å; T185-M187 PolarHBondContact O-N 2.81Å
186D40.7Very low38.3Very low145 Ų145152.6 Ų152.678%0.77581%0.81SS**  trans-56.4128167-89.6-43.2000110
187M36Very low38.4Very low152 Ų152149.3 Ų149.375%0.74981%0.806SS**  trans-140.3118161.2-108-53.8-44.600109.5T185T185-M187 PolarHBondContact O-N 2.81Å
188P42.6Very low38Very low102 Ų102153.1 Ų153.166%0.66282%0.816SS**  trans-73.3150.9-173.428.6-36.2000114.1
189L41.4Very low37.6Very low160 Ų160153 Ų15384%0.83882%0.816SS**  trans-52.6144.1173.4-7492000112.9S191L189-S191 PolarHBondContact O-N 2.96Å
190P41.6Very low37.2Very low123 Ų123151.3 Ų151.380%0.79981%0.811SS**  trans-86.3104.9165.232-27.5000110.6F192P190-F192 PolarHBondContact O-N 2.99Å
191S33.8Very low37Very low115 Ų115154 Ų15480%0.80482%0.817SS**  trans-68108.6160.4-59.20000109.6L189L189-S191 PolarHBondContact O-N 2.96Å
192F36Very low36.8Very low201 Ų201153.8 Ų153.888%0.88282%0.815SS**  trans-107.381.6174.2-138.5-89.8000110.2P190P190-F192 PolarHBondContact O-N 2.99Å
193T39.6Very low37.7Very low114 Ų114153.2 Ų153.270%0.69981%0.81SS**  trans-143.8120153.934.30000111.8
194Q40.1Very low37.5Very low178 Ų178146.9 Ų146.983%0.83281%0.806SS**  trans74.8106.9138.8-60.6179.688.800119.2
195Q32.2Very low37.8Very low194 Ų194144.4 Ų144.491%0.90781%0.807SS**  trans-147.3108.5142.6-68.2-167.3-15.500109.9
196L34.8Very low37.3Very low177 Ų177142.1 Ų142.193%0.92781%0.807SS**  trans-142.9129.4142.8-85.3178.2000108.1
197T35.9Very low37.2Very low131 Ų131141 Ų14180%0.80481%0.811SS**  trans-75.6144.2-165.828.40000114.1
198T34.1Very low37.1Very low150 Ų150138.7 Ų138.792%0.9281%0.81SS**  trans-155.8138.2133.4-31.80000110.5
199D30.5Very low36.6Very low145 Ų145139.4 Ų139.478%0.77581%0.812SS**  trans-89173.8-172.5-159.2-4.6000112
200I35.8Very low36.5Very low150 Ų150142.9 Ų142.977%0.76981%0.814SS**  trans110.195.4164-50.9162.8000117.1
201Y31.4Very low36.3Very low213 Ų213143.9 Ų143.984%0.83582%0.818SS**  trans45.8115.1143.7-92.4-99.2000124.4
202S35.2Very low36.7Very low106 Ų106148.7 Ų148.774%0.74182%0.819SS**  69.1154.4127.9-76.20000124.3
203P53.5Low37.1Very low122 Ų122151.2 Ų151.279%0.79282%0.822SS**  trans-114.2153.2-142.140-29.6000116.1
204A32.2Very low37.5Very low97 Ų97153.4 Ų153.480%0.80282%0.822SS**  trans-170.9152.9150.500000112.3
205P45.3Very low37.6Very low135 Ų135152.9 Ų152.988%0.87782%0.817SS**  trans-90.1139.2-172.735.3-30.8000112.3
206G30.3Very low38.2Very low74 Ų74152 Ų15276%0.76381%0.806SS**  trans-162.4123.5176.400000112.7
207S38.9Very low38.5Very low122 Ų122147.3 Ų147.385%0.85380%0.8SS**  trans-52.2145.9172.553.10000114.3
208S34Very low39.1Very low103 Ų103148.9 Ų148.972%0.7280%0.798SS**  trans179.1123.5131.4-161.70000114.2
209T32.8Very low39.6Very low117 Ų117145.1 Ų145.172%0.71879%0.788SS**  trans45.4127.4140.362.50000124.3
210R39.2Very low40.4Very low233 Ų233150.4 Ų150.488%0.87980%0.798SS**  trans53114135.5-80170.563.7170.2-2.4118.3
211T36.3Very low40.9Very low144 Ų144149 Ų14988%0.88380%0.801SS**  -160.2113.5113.128.80000110.4R213T211-R213 PolarHBondContact O-N 3.16Å
212R42.5Very low41.7Very low216 Ų216150.1 Ų150.182%0.81580%0.804SS**  trans-84.9100.9176.9-179.3179.4170.3-175.91108.8K214R212-K214 PolarHBondContact O-N 3.04Å
213R44.6Very low42.6Very low254 Ų254156.3 Ų156.396%0.95881%0.811SS**  trans-68.8118.3171.2-133.2173.7-176.9174.40.4108.7T211T211-R213 PolarHBondContact O-N 3.16Å
214K47.5Very low42.4Very low160 Ų160156.9 Ų156.970%0.69682%0.815SS**  trans-107.6150.7175.7-112.4-175.6178.5-179.90109.3R212R212-K214 PolarHBondContact O-N 3.04Å
215K42.8Very low43.2Very low168 Ų168162 Ų16273%0.7382%0.819SS**  trans87.7136.8164.1-77.3-175.4162.7177.30116
216R43.7Very low43.2Very low176 Ų176165.3 Ų165.366%0.66482%0.82SS**  cis-155.411912.7-113.9164.5-158.2-85.411.2107.8
217G42.9Very low43.8Very low78 Ų78167.2 Ų167.280%0.80482%0.817SS**  trans-97.7128.2160.300000108.5G219G217-G219 PolarHBondContact O-N 3.17Å
218H48Very low44.1Very low164 Ų164166.8 Ų166.876%0.75981%0.814SS**  trans-79.975175.2-69-81.5000109.7
219G43.3Very low44.4Very low70 Ų70172.4 Ų172.472%0.72282%0.819SS**  trans-83.5113.6171.700000110.4G217 S221G217-G219 PolarHBondContact O-N 3.17Å; G219-S221 PolarHBondContact O-N 3.47Å
220W47.2Very low44.7Very low256 Ų256178.5 Ų178.597%0.9783%0.829SS**  trans-58.8122.6166.8-69.444000108.5
221S48Very low44.9Very low121 Ų121173.8 Ų173.885%0.84683%0.826SS**  trans-141.8119.3169.2-170.40000110.8G219G219-S221 PolarHBondContact O-N 3.47Å
222R47.7Very low45.6Very low236 Ų236175.3 Ų175.389%0.89182%0.823SS**  trans-80.4143.4178.2-48.9-172.1-147.1-165.96.3109.7
223R53.2Low45.9Very low236 Ų236170.7 Ų170.789%0.89182%0.821SS**  trans145.3121.8136.5-80.8176.3-171.2-121.84.1110.9
224P49.1Very low46Very low135 Ų135166.3 Ų166.388%0.87782%0.816SS**  trans-80.7129.3164.624.7-17000110.2
225K49.9Very low46.2Very low203 Ų203164.7 Ų164.788%0.88382%0.821SS**  trans-84.9122.2177.8-168.1167.8-178.6176.70109.5T227K225-T227 PolarHBondContact O-N 3.36Å
226K45.5Very low46.5Very low206 Ų206164.5 Ų164.590%0.89683%0.828SS**  trans-44.1109.8172.3-167.4172.1-175.2177.30111.4
227T43.2Very low46.8Very low114 Ų114162.3 Ų162.370%0.69984%0.836SS**  trans-95.4104.6166.9158.50000108.3K225 R229K225-T227 PolarHBondContact O-N 3.36Å; T227-R229 PolarHBondContact O-N 3.38Å
228S43.7Very low47Very low113 Ų113164.5 Ų164.579%0.7984%0.839SS**  trans-63.8112.2162.2171.20000108.3
229R41.8Very low47.4Very low221 Ų221160.8 Ų160.883%0.83484%0.837SS**  trans-106.8124.1157.1-83.9-170.6-177.6-160.91.3107.7T227 V231T227-R229 PolarHBondContact O-N 3.38Å; R229-V231 PolarHBondContact O-N 3.48Å
230R39.2Very low47.7Very low245 Ų245163.5 Ų163.593%0.92584%0.842SS**PPolyproline II helixtrans-56.3124.8169.7-84.6-176.3170.2-131.61.4109.1
231V41.9Very low47.8Very low134 Ų134160.6 Ų160.681%0.81284%0.839SS**PPolyproline II helixtrans-67.7121.8166.4175.60000107.7R229R229-V231 PolarHBondContact O-N 3.48Å
232Q52.5Low47.8Very low176 Ų176164.8 Ų164.882%0.82284%0.842SS**PPolyproline II helixtrans-80.8135.4158.2-78.8-170.234.200107.9
233P48Very low48.1Very low119 Ų119160.3 Ų160.377%0.77384%0.841SS**PPolyproline II helixtrans-72.9132.7174.5-11.226.7000111.2
234L47.6Very low48.2Very low162 Ų162154.8 Ų154.885%0.84884%0.838SS**PPolyproline II helixtrans-63.8146.1165-87.285000110.6
235P50.1Low48.2Very low125 Ų125154.7 Ų154.781%0.81284%0.839SS**PPolyproline II helixtrans-74.6141.7170.3-7.824.7000112
236L49.6Very low47.8Very low165 Ų165152.3 Ų152.386%0.86487%0.872SS**PPolyproline II helixtrans-63.7150.3172.5-69.7156.2000112
237P50Low47.9Very low130 Ų130149.6 Ų149.684%0.84487%0.871SS**PPolyproline II helixtrans-75.3133.517429.8-31.8000111.9
238S48.4Very low48.2Very low123 Ų123151.5 Ų151.586%0.8688%0.88SS**PPolyproline II helixtrans-80145.4173.253.20000112.5
239A55.3Low48.4Very low87 Ų87153.6 Ų153.672%0.71989%0.885SS**PPolyproline II helixtrans-62.5167-170.700000116.4
240P50.4Low48.8Very low126 Ų126149.6 Ų149.682%0.81889%0.888SS**PPolyproline II helixtrans-81141.2-16832.1-31.7000113.2K242P240-K242 PolarHBondContact O-N 3.23Å
241Q48.1Very low49.4Very low196 Ų196143.7 Ų143.792%0.91689%0.885SS**PPolyproline II helixtrans-74.8118.5179.2-64.8178.7-22.400110.7
242K47.8Very low49.9Very low208 Ų208144.3 Ų144.390%0.90489%0.89SS**PPolyproline II helixtrans-74.5120.9164.2-88.6-177.9171.5-171.70109P240P240-K242 PolarHBondContact O-N 3.23Å
243V55.8Low49.7Very low143 Ų143142.1 Ų142.187%0.86790%0.895SS**PPolyproline II helixtrans-73.8133.9161.9-74.20000109.4
244S55.1Low49.8Very low120 Ų120143.8 Ų143.884%0.83991%0.905SS**  trans-114.9120.4169-170.70000108
245C47.9Very low50Low132 Ų132142.3 Ų142.389%0.89291%0.909SS**  trans-79138.2163.4-61.50000108.8
246G41.9Very low50Low153 Ų153143.9 Ų143.9100%1.57792%0.918SS**  trans-173.70173.400000108.9

Retrieved 246 of 246 residues in 225.5 ms (Link to these results)