A0A3B3UQM4_9TELE Loading...

26S proteasome non-ATPase regulatory subunit 9

Acts as a chaperone during the assembly of the 26S proteasome, specifically of the base subcomplex of the PA700/19S regulatory complex (RC). During the base subcomplex assembly is part of an intermediate PSMD9:PSMC6:PSMC3 module, also known as modulator trimer complex; PSMD9 is released during the further base assembly process.

AlphaFold DB , UniProt , Accession A0A3B3UQM4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 212 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
1M44.9Very low41.8Very low229 Ų229159.3 Ų159.3100%1.12885%0.851SS**  0120.70-88.576.4170.400109.1
2K40.6Very low42Very low208 Ų208154.9 Ų154.990%0.90484%0.84SS**  trans-80.6123.2165-68.7178.3177178.30106.9
3M41.5Very low43.5Very low181 Ų181152.8 Ų152.889%0.89282%0.821SS**  trans-102101.9163.7-79.3173.6174.700107.1
4T42.6Very low45.4Very low132 Ų132144.4 Ų144.481%0.8178%0.775SS**  trans-43.1134.7149.5440000108.9
5G44Very low47.8Very low63 Ų63138.9 Ų138.965%0.64975%0.749SS**  106.3141.566.400000107.3
6E42.8Very low50Low187 Ų187137.3 Ų137.387%0.87474%0.737SS**  trans8878.5172.7-56.7169.1100.500116.6
7N39.4Very low52.2Low173 Ų173134.5 Ų134.593%0.92572%0.722SS**  trans-139.165.7133.6-107.9-38.5000107.4A9N7-A9 PolarHBondContact O-N 3.1Å
8R36.8Very low54.1Low232 Ų232130.8 Ų130.888%0.87570%0.702SS**  trans-74.8101.7165.3-175.6173.1-179.7167.6-1.8104.2E10R8-E10 PolarHBondContact O-N 3.38Å
9A40.1Very low56Low91 Ų91124.7 Ų124.775%0.75267%0.67SS**  trans-39.5111.5170.500000108.4N7 G11N7-A9 PolarHBondContact O-N 3.1Å; A9-G11 PolarHBondContact O-N 3.42Å
10E41.8Very low57.7Low194 Ų194123.9 Ų123.991%0.90766%0.66SS**  trans-60.395.1167.7-69.7-177.7138.300105.3R8 C12R8-E10 PolarHBondContact O-N 3.38Å; E10-C12 PolarHBondContact O-N 3.45Å
11G45.1Very low59.4Low62 Ų62121.7 Ų121.764%0.63965%0.648SS**  trans-6490.9164.300000105.6A9 E13A9-G11 PolarHBondContact O-N 3.42Å; G11-E13 VanDerWaalsContact C-N 3.26Å; G11-E13 PolarHBondContact O-N 2.92Å
12C44.8Very low61.6Low107 Ų107112 Ų11272%0.72360%0.601SS**  trans-56.3102.1165.1-168.40000105E10 I14E10-C12 PolarHBondContact O-N 3.45Å; C12-I14 PolarHBondContact O-N 3.11Å
13E61Low64.1Low127 Ų127105.4 Ų105.459%0.59358%0.575SS**  trans-67.392.4176.7-69.6-166.588.200106G11 T15 R98G11-E13 VanDerWaalsContact C-N 3.26Å; G11-E13 PolarHBondContact O-N 2.92Å; E13-T15 WeakPolarHBondContact O-CG2 3.42Å; E13-T15 PolarHBondContact O-N 3.45Å; E13-R98 IonicContact OE1-CZ 2.61Å; E13-R98 IonicContact OE1-NH1 3.24Å; E13-R98 PolarHBondContact OE1-NH1 3.11Å; E13-R98 IonicContact OE1-NH2 2.85Å; E13-R98 PolarHBondContact OE1-NH2 3.37Å
14I70.1Confident66.7Low36 Ų36102.9 Ų102.919%0.18556%0.559CS.*  trans-62.2114.2177.7-61.1168.1000106.5C12 D18 V19 A91 K94 L95C12-I14 PolarHBondContact O-N 3.11Å; I14-D18 HydrophobicContact CG2-CB 4.32Å; I14-V19 HydrophobicContact CG2-CG2 4.23Å; I14-A91 HydrophobicContact CD1-CB 4.24Å; I14-A91 HydrophobicContact CG2-CB 3.68Å; I14-K94 HydrophobicContact CD1-CD 3.43Å; I14-K94 VanDerWaalsContact CD1-CD 3.43Å; I14-L95 VanDerWaalsContact O-CD2 3.24Å; I14-L95 WeakPolarHBondContact O-CD2 3.28Å
15T82Confident69.1Low61 Ų61102 Ų10237%0.37454%0.544SS..  trans-89160.9-17965.80000110.3E13 D17 D18 V19E13-T15 WeakPolarHBondContact O-CG2 3.42Å; E13-T15 PolarHBondContact O-N 3.45Å; T15-D17 PolarHBondContact O-N 3.29Å; T15-D18 WeakPolarHBondContact CB-OD2 3.17Å; T15-D18 PolarHBondContact N-OD2 2.94Å; T15-D18 WeakPolarHBondContact O-CB 3.46Å; T15-D18 PolarHBondContact O-N 3.22Å; T15-D18 VanDerWaalsContact O-N 3.14Å; T15-D18 PolarHBondContact OG1-N 2.63Å; T15-D18 PolarHBondContact OG1-OD2 3.04Å; T15-V19 PolarHBondContact O-N 3.45Å
16M81.8Confident71.5Confident113 Ų113100.8 Ų100.856%0.55752%0.52SS*.Hα-helixtrans-59-27.1172.3-74.2-169167.400112.3K20 L95M16-K20 WeakPolarHBondContact O-CG 3.5Å; M16-K20 PolarHBondContact O-N 2.81Å; M16-K20 VanDerWaalsContact O-N 3.14Å; M16-L95 HydrophobicContact CG-CD1 4.23Å
17D87.5Confident74Confident90 Ų9095.4 Ų95.448%0.48150%0.498SS..Hα-helixtrans-75.2-31.1178.8-60.3-58.4000112.2T15 K20 N21T15-D17 PolarHBondContact O-N 3.29Å; D17-K20 PolarHBondContact O-N 2.71Å; D17-K20 IonicContact OD1-NZ 2.88Å; D17-K20 PolarHBondContact OD1-NZ 3.08Å; D17-N21 WeakPolarHBondContact O-CB 3.47Å; D17-N21 PolarHBondContact O-N 2.79Å; D17-N21 PolarHBondContact O-ND2 3.35Å
18D87.6Confident76.6Confident68 Ų6892.5 Ų92.536%0.36448%0.479SS..Hα-helixtrans-63.8-42.9171.4-60.5-47000111.3I14 T15 K20 N21 L22I14-D18 HydrophobicContact CG2-CB 4.32Å; T15-D18 WeakPolarHBondContact CB-OD2 3.17Å; T15-D18 PolarHBondContact N-OD2 2.94Å; T15-D18 WeakPolarHBondContact O-CB 3.46Å; T15-D18 PolarHBondContact O-N 3.22Å; T15-D18 VanDerWaalsContact O-N 3.14Å; T15-D18 PolarHBondContact OG1-N 2.63Å; T15-D18 PolarHBondContact OG1-OD2 3.04Å; D18-K20 PolarHBondContact O-N 3.43Å; D18-N21 PolarHBondContact O-N 3.21Å; D18-L22 WeakPolarHBondContact O-CG 3.48Å; D18-L22 PolarHBondContact O-N 3.49Å
19V89.2Confident79.4Confident15 Ų1582.4 Ų82.49%0.09144%0.442CS..Hα-helixtrans-61.6-44.5175.3-179.20000111.2I14 T15 N21 L22 I23 A91 L95I14-V19 HydrophobicContact CG2-CG2 4.23Å; T15-V19 PolarHBondContact O-N 3.45Å; V19-N21 VanDerWaalsContact C-N 3.28Å; V19-N21 PolarHBondContact O-N 3.29Å; V19-L22 PolarHBondContact O-N 2.99Å; V19-I23 HydrophobicContact CG1-CD1 4.04Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 2.99Å; V19-A91 HydrophobicContact CG2-CB 3.86Å; V19-L95 HydrophobicContact CG2-CD1 3.82Å
20K91.4Very high82Confident108 Ų10881.6 Ų81.647%0.4742%0.422SS..Hα-helixtrans-61.2-38.5175.6-69.4171.5-160158.20112M16 D17 D18 I23 K24M16-K20 WeakPolarHBondContact O-CG 3.5Å; M16-K20 PolarHBondContact O-N 2.81Å; M16-K20 VanDerWaalsContact O-N 3.14Å; D17-K20 PolarHBondContact O-N 2.71Å; D17-K20 IonicContact OD1-NZ 2.88Å; D17-K20 PolarHBondContact OD1-NZ 3.08Å; D18-K20 PolarHBondContact O-N 3.43Å; K20-I23 PolarHBondContact O-N 2.8Å; K20-K24 WeakPolarHBondContact O-CG 3.35Å; K20-K24 PolarHBondContact O-N 3.33Å
21N92.8Very high84.5Confident78 Ų7879 Ų7942%0.41741%0.411SS..Hα-helixtrans-68.1-38.7177.6-70-25.6000111.7D17 D18 V19 K24 K25D17-N21 WeakPolarHBondContact O-CB 3.47Å; D17-N21 PolarHBondContact O-N 2.79Å; D17-N21 PolarHBondContact O-ND2 3.35Å; D18-N21 PolarHBondContact O-N 3.21Å; V19-N21 VanDerWaalsContact C-N 3.28Å; V19-N21 PolarHBondContact O-N 3.29Å; N21-K24 PolarHBondContact O-N 3.44Å; N21-K25 WeakPolarHBondContact O-CG 3.48Å; N21-K25 PolarHBondContact O-N 3.16Å
22L91.7Very high86.9Confident25 Ų2580.6 Ų80.613%0.13140%0.401CS..Hα-helixtrans-63.8-40173.5-70.4171.6000112D18 V19 K25 K26 I84 E87 I88D18-L22 WeakPolarHBondContact O-CG 3.48Å; D18-L22 PolarHBondContact O-N 3.49Å; V19-L22 PolarHBondContact O-N 2.99Å; L22-K25 PolarHBondContact O-N 3.34Å; L22-K26 WeakPolarHBondContact O-CB 3.48Å; L22-K26 PolarHBondContact O-N 3.04Å; L22-I84 HydrophobicContact CB-CG2 4.49Å; L22-I84 HydrophobicContact CD2-CG2 4.5Å; L22-E87 HydrophobicContact CD1-CB 4.32Å; L22-I88 HydrophobicContact CB-CD1 4.07Å; L22-I88 HydrophobicContact CB-CG1 3.56Å; L22-I88 HydrophobicContact CD1-CG1 4.15Å; L22-I88 HydrophobicContact CG-CG1 4.45Å
23I92.7Very high89.2Confident71 Ų7177 Ų7736%0.36438%0.375SS..Hα-helixtrans-62.8-44.9175.3-66.7164.8000110.9V19 K20 K25 K26 D27 I88V19-I23 HydrophobicContact CG1-CD1 4.04Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 2.99Å; K20-I23 PolarHBondContact O-N 2.8Å; I23-K25 VanDerWaalsContact C-N 3.33Å; I23-K25 PolarHBondContact O-N 2.95Å; I23-K26 VanDerWaalsContact O-CB 3.32Å; I23-K26 WeakPolarHBondContact O-CB 3.22Å; I23-K26 PolarHBondContact O-N 2.8Å; I23-K26 VanDerWaalsContact O-N 3.17Å; I23-D27 VanDerWaalsContact O-CG 3.26Å; I23-D27 PolarHBondContact O-N 3.04Å; I23-I88 HydrophobicContact CG1-CD1 4.23Å
24K95.3Very high90.8Very high128 Ų12877.5 Ų77.556%0.55738%0.375SS*.Hα-helixtrans-59.1-44.2175.5-72.4175.6-179.5177.80112.3K20 N21 K26 D27 E28K20-K24 WeakPolarHBondContact O-CG 3.35Å; K20-K24 PolarHBondContact O-N 3.33Å; N21-K24 PolarHBondContact O-N 3.44Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 2.85Å; K24-D27 PolarHBondContact O-N 3.42Å; K24-E28 WeakPolarHBondContact O-CG 3.21Å; K24-E28 PolarHBondContact O-N 2.91Å
25K93.1Very high91.9Very high113 Ų11378.4 Ų78.449%0.49139%0.387SS..Hα-helixtrans-62.6-39.3176.6-72.8177.7178.4-178.70112N21 L22 I23 E28 I29 I84N21-K25 WeakPolarHBondContact O-CG 3.48Å; N21-K25 PolarHBondContact O-N 3.16Å; L22-K25 PolarHBondContact O-N 3.34Å; I23-K25 VanDerWaalsContact C-N 3.33Å; I23-K25 PolarHBondContact O-N 2.95Å; K25-E28 PolarHBondContact O-N 2.91Å; K25-I29 WeakPolarHBondContact O-CG1 3.37Å; K25-I29 PolarHBondContact O-N 2.85Å; K25-I84 HydrophobicContact CB-CD1 4.01Å
26K94.9Very high92.5Very high37 Ų3779.1 Ų79.116%0.16138%0.384CS..Hα-helixtrans-58.1-49.8173.5177.4-157.3172.6-83.80110.4L22 I23 K24 E28 I29 E30 H81 I84 M85 I88L22-K26 WeakPolarHBondContact O-CB 3.48Å; L22-K26 PolarHBondContact O-N 3.04Å; I23-K26 VanDerWaalsContact O-CB 3.32Å; I23-K26 WeakPolarHBondContact O-CB 3.22Å; I23-K26 PolarHBondContact O-N 2.8Å; I23-K26 VanDerWaalsContact O-N 3.17Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 2.85Å; K26-E28 VanDerWaalsContact C-N 3.35Å; K26-E28 PolarHBondContact O-N 3.34Å; K26-I29 PolarHBondContact O-N 3.43Å; K26-E30 IonicContact NZ-OE1 2.81Å; K26-E30 PolarHBondContact NZ-OE1 2.81Å; K26-E30 IonicContact NZ-OE2 2.65Å; K26-E30 PolarHBondContact NZ-OE2 3.37Å; K26-E30 WeakPolarHBondContact O-CG 3.45Å; K26-E30 PolarHBondContact O-N 2.87Å; K26-H81 WeakPolarHBondContact CE-NE2 3.26Å; K26-H81 WeakPolarHBondContact CG-NE2 3.25Å; K26-I84 HydrophobicContact CB-CG2 4.07Å; K26-M85 HydrophobicContact CD-SD 3.53Å; K26-M85 VanDerWaalsContact CD-SD 3.53Å; K26-M85 WeakPolarHBondContact CE-SD 3.25Å; K26-M85 HydrophobicContact CG-SD 4.18Å; K26-I88 HydrophobicContact CB-CD1 4.34Å; K26-I88 HydrophobicContact CD-CD1 4.32Å
27D94.5Very high93Very high75 Ų7577.3 Ų77.340%0.40137%0.374SS..Hα-helixtrans-62-42.1-179.4-61.7-24.4000111.3I23 K24 I29 E30 E31I23-D27 VanDerWaalsContact O-CG 3.26Å; I23-D27 PolarHBondContact O-N 3.04Å; K24-D27 PolarHBondContact O-N 3.42Å; D27-I29 PolarHBondContact O-N 2.82Å; D27-E30 PolarHBondContact O-N 2.78Å; D27-E31 WeakPolarHBondContact O-CG 3.44Å; D27-E31 PolarHBondContact O-N 3.01Å
28E95.3Very high93.2Very high111 Ų11177 Ų7752%0.51937%0.372SS..Hα-helixtrans-60.4-41.7175.1-73.1172.816500112.3K24 K25 K26 E31 Q32K24-E28 WeakPolarHBondContact O-CG 3.21Å; K24-E28 PolarHBondContact O-N 2.91Å; K25-E28 PolarHBondContact O-N 2.91Å; K26-E28 VanDerWaalsContact C-N 3.35Å; K26-E28 PolarHBondContact O-N 3.34Å; E28-E31 PolarHBondContact O-N 3.47Å; E28-Q32 WeakPolarHBondContact O-CG 3.48Å; E28-Q32 PolarHBondContact O-N 3.24Å
29I94.8Very high93.3Very high20 Ų2077 Ų7710%0.10337%0.374CS..Hα-helixtrans-67-40.9176.8-70177.3000110.8K25 K26 D27 E31 Q32 I33 L77 D80 H81 I84K25-I29 WeakPolarHBondContact O-CG1 3.37Å; K25-I29 PolarHBondContact O-N 2.85Å; K26-I29 PolarHBondContact O-N 3.43Å; D27-I29 PolarHBondContact O-N 2.82Å; I29-E31 VanDerWaalsContact C-N 3.34Å; I29-E31 PolarHBondContact O-N 2.91Å; I29-Q32 PolarHBondContact O-N 2.9Å; I29-I33 HydrophobicContact CG2-CD1 3.82Å; I29-I33 HydrophobicContact CG2-CG1 4.32Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 2.89Å; I29-L77 HydrophobicContact CG1-CD2 4.49Å; I29-L77 HydrophobicContact CG2-CB 4.06Å; I29-L77 HydrophobicContact CG2-CD2 4.14Å; I29-L77 WeakPolarHBondContact CG2-O 3.47Å; I29-D80 HydrophobicContact CD1-CB 4.14Å; I29-H81 HydrophobicContact CG2-CB 3.87Å; I29-I84 HydrophobicContact CD1-CD1 3.44Å; I29-I84 VanDerWaalsContact CD1-CD1 3.44Å
30E93.9Very high93.3Very high74 Ų7476.4 Ų76.435%0.34637%0.371SS..Hα-helixtrans-63.3-39.6176.3-74.4174.2134.300111.8K26 D27 I33 K34 H81K26-E30 IonicContact NZ-OE1 2.81Å; K26-E30 PolarHBondContact NZ-OE1 2.81Å; K26-E30 IonicContact NZ-OE2 2.65Å; K26-E30 PolarHBondContact NZ-OE2 3.37Å; K26-E30 WeakPolarHBondContact O-CG 3.45Å; K26-E30 PolarHBondContact O-N 2.87Å; D27-E30 PolarHBondContact O-N 2.78Å; E30-I33 PolarHBondContact O-N 3.06Å; E30-K34 WeakPolarHBondContact O-CB 3.22Å; E30-K34 PolarHBondContact O-N 3.29Å; E30-H81 IonicContact OE1-NE2 3.43Å; E30-H81 PolarHBondContact OE1-NE2 3.12Å
31E95.6Very high93.2Very high141 Ų14177.1 Ų77.166%0.65938%0.376SS*.Hα-helixtrans-63.1-41.3172.9-73.8-167.5125.300112.1D27 E28 I29 K34 A35D27-E31 WeakPolarHBondContact O-CG 3.44Å; D27-E31 PolarHBondContact O-N 3.01Å; E28-E31 PolarHBondContact O-N 3.47Å; I29-E31 VanDerWaalsContact C-N 3.34Å; I29-E31 PolarHBondContact O-N 2.91Å; E31-K34 PolarHBondContact O-N 3.29Å; E31-A35 PolarHBondContact O-N 3.41Å
32Q94.1Very high92.9Very high95 Ų9579.6 Ų79.644%0.44439%0.389SS..Hα-helixtrans-65-44.6175.4-72177.61300112.1E28 I29 K34 A35 Y36 L77E28-Q32 WeakPolarHBondContact O-CG 3.48Å; E28-Q32 PolarHBondContact O-N 3.24Å; I29-Q32 PolarHBondContact O-N 2.9Å; Q32-K34 VanDerWaalsContact C-N 3.27Å; Q32-K34 PolarHBondContact O-N 2.96Å; Q32-A35 PolarHBondContact O-N 2.87Å; Q32-Y36 WeakPolarHBondContact O-CD2 3.39Å; Q32-Y36 PolarHBondContact O-N 3.25Å; Q32-L77 HydrophobicContact CB-CD1 3.77Å
33I94Very high92.6Very high31 Ų3181.2 Ų81.216%0.15940%0.396CS..Hα-helixtrans-57.7-45.3175.7-70.5166.6000109.7I29 E30 Y36 H37 L77 Q78 H81I29-I33 HydrophobicContact CG2-CD1 3.82Å; I29-I33 HydrophobicContact CG2-CG1 4.32Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 2.89Å; E30-I33 PolarHBondContact O-N 3.06Å; I33-Y36 PolarHBondContact O-N 3.42Å; I33-H37 WeakPolarHBondContact O-CB 3.43Å; I33-H37 PolarHBondContact O-N 2.91Å; I33-L77 HydrophobicContact CD1-CB 4Å; I33-L77 HydrophobicContact CG1-CB 3.58Å; I33-L77 HydrophobicContact CG1-CD1 4.12Å; I33-L77 HydrophobicContact CG1-CG 4.5Å; I33-Q78 HydrophobicContact CD1-CG 4.08Å; I33-H81 HydrophobicContact CD1-CB 4.49Å
34K94.4Very high92Very high138 Ų13881.1 Ų81.160%0.641%0.413SS*.Hα-helixtrans-61.4-45.2177.8-173.3-176.8175.3-170.50111.7E30 E31 Q32 Y36 H37 D38E30-K34 WeakPolarHBondContact O-CB 3.22Å; E30-K34 PolarHBondContact O-N 3.29Å; E31-K34 PolarHBondContact O-N 3.29Å; Q32-K34 VanDerWaalsContact C-N 3.27Å; Q32-K34 PolarHBondContact O-N 2.96Å; K34-Y36 VanDerWaalsContact C-N 3.33Å; K34-Y36 PolarHBondContact O-N 2.73Å; K34-H37 WeakPolarHBondContact O-CA 3.45Å; K34-H37 WeakPolarHBondContact O-CB 3.46Å; K34-H37 PolarHBondContact O-N 2.73Å; K34-D38 VanDerWaalsContact O-CG 3.31Å; K34-D38 PolarHBondContact O-N 2.77Å
35A94.3Very high91.3Very high54 Ų5475.6 Ų75.645%0.44639%0.389SS..Hα-helixtrans-59.2-42.2177.500000112.3E31 Q32 H37 D38 V39E31-A35 PolarHBondContact O-N 3.41Å; Q32-A35 PolarHBondContact O-N 2.87Å; A35-H37 VanDerWaalsContact C-N 3.33Å; A35-D38 PolarHBondContact O-N 2.77Å; A35-V39 WeakPolarHBondContact O-CG2 3.3Å; A35-V39 PolarHBondContact O-N 3.05Å
36Y93.3Very high90.8Very high76 Ų7672.3 Ų72.330%0.29839%0.388SS..Hα-helixtrans-68.8-31.9174.5-72.9-64.9000112.7Q32 I33 K34 V39 L40 A70 N73 I74 L77Q32-Y36 WeakPolarHBondContact O-CD2 3.39Å; Q32-Y36 PolarHBondContact O-N 3.25Å; I33-Y36 PolarHBondContact O-N 3.42Å; K34-Y36 VanDerWaalsContact C-N 3.33Å; K34-Y36 PolarHBondContact O-N 2.73Å; Y36-V39 PolarHBondContact O-N 3.16Å; Y36-L40 WeakPolarHBondContact O-CG 3.45Å; Y36-L40 PolarHBondContact O-N 2.98Å; Y36-A70 HydrophobicContact CD1-CB 4.03Å; Y36-N73 HydrophobicContact CD1-CB 4.48Å; Y36-N73 HydrophobicContact CD2-CB 4.18Å; Y36-N73 HydrophobicContact CE1-CB 4.17Å; Y36-N73 HydrophobicContact CE2-CB 3.87Å; Y36-N73 HydrophobicContact CG-CB 4.5Å; Y36-N73 PolarHBondContact OH-ND2 3.44Å; Y36-I74 HydrophobicContact CG-CG1 4.37Å; Y36-L77 HydrophobicContact CD2-CD1 3.83Å; Y36-L77 HydrophobicContact CE2-CD1 3.79Å
37H92.4Very high90.2Very high76 Ų7673.4 Ų73.435%0.35240%0.398SS..Hα-helixtrans-65.4-42.5174.1-161.9-81.7000111.5I33 K34 A35 V39 L40 E41I33-H37 WeakPolarHBondContact O-CB 3.43Å; I33-H37 PolarHBondContact O-N 2.91Å; K34-H37 WeakPolarHBondContact O-CA 3.45Å; K34-H37 WeakPolarHBondContact O-CB 3.46Å; K34-H37 PolarHBondContact O-N 2.73Å; A35-H37 VanDerWaalsContact C-N 3.33Å; H37-V39 VanDerWaalsContact C-N 3.3Å; H37-V39 PolarHBondContact O-N 2.79Å; H37-L40 WeakPolarHBondContact O-CB 3.32Å; H37-L40 PolarHBondContact O-N 2.92Å; H37-E41 IonicContact CE1-OE1 3.15Å; H37-E41 PolarHBondContact CE1-OE1 3.26Å; H37-E41 IonicContact ND1-OE1 3.31Å; H37-E41 PolarHBondContact ND1-OE1 2.97Å; H37-E41 PolarHBondContact O-N 2.8Å
38D92.1Very high89.7Confident82 Ų8278.7 Ų78.744%0.43942%0.42SS..Hα-helixtrans-61.5-38.8176.9-63.7-17.7000111.3K34 A35 L40 E41 D42K34-D38 VanDerWaalsContact O-CG 3.31Å; K34-D38 PolarHBondContact O-N 2.77Å; A35-D38 PolarHBondContact O-N 2.77Å; D38-L40 VanDerWaalsContact C-N 3.31Å; D38-L40 PolarHBondContact O-N 3.16Å; D38-E41 PolarHBondContact O-N 3.44Å; D38-D42 PolarHBondContact O-N 3.16Å
39V89.9Confident89.2Confident69 Ų6974.3 Ų74.342%0.41840%0.404SS..Hα-helixtrans-62.9-37173.91730000111.8A35 Y36 H37 Q43A35-V39 WeakPolarHBondContact O-CG2 3.3Å; A35-V39 PolarHBondContact O-N 3.05Å; Y36-V39 PolarHBondContact O-N 3.16Å; H37-V39 VanDerWaalsContact C-N 3.3Å; H37-V39 PolarHBondContact O-N 2.79Å; V39-Q43 WeakPolarHBondContact O-CG 3.37Å; V39-Q43 PolarHBondContact O-N 3.33Å
40L88.8Confident88.7Confident2 Ų277.5 Ų77.51%0.0143%0.427CS..Hα-helixtrans-72.4-36.7177-72.6179.1000112.3Y36 H37 D38 Q43 G44 V45 V47 I67 A70 R71 I74Y36-L40 WeakPolarHBondContact O-CG 3.45Å; Y36-L40 PolarHBondContact O-N 2.98Å; H37-L40 WeakPolarHBondContact O-CB 3.32Å; H37-L40 PolarHBondContact O-N 2.92Å; D38-L40 VanDerWaalsContact C-N 3.31Å; D38-L40 PolarHBondContact O-N 3.16Å; L40-Q43 PolarHBondContact O-N 2.81Å; L40-G44 PolarHBondContact O-N 3.22Å; L40-V45 WeakPolarHBondContact CB-O 3.19Å; L40-V45 PolarHBondContact O-N 3.47Å; L40-V45 VanDerWaalsContact O-N 3.13Å; L40-V47 HydrophobicContact CD1-CG1 3.69Å; L40-I67 HydrophobicContact CD2-CB 4.1Å; L40-I67 HydrophobicContact CD2-CG1 4.07Å; L40-I67 HydrophobicContact CD2-CG2 3.67Å; L40-A70 HydrophobicContact CD1-CB 4.47Å; L40-A70 HydrophobicContact CD2-CB 3.94Å; L40-A70 HydrophobicContact CG-CB 4.03Å; L40-R71 HydrophobicContact CD1-CG 4.26Å; L40-R71 HydrophobicContact CD2-CG 4.47Å; L40-I74 HydrophobicContact CD1-CD1 3.45Å; L40-I74 VanDerWaalsContact CD1-CD1 3.45Å; L40-I74 HydrophobicContact CG-CD1 4.46Å
41E88.3Confident88.4Confident123 Ų12376 Ų7658%0.57542%0.421SS*.Hα-helixtrans-66.9-40.6175.8-75.1-172169.400112.6H37 D38 Q43 G44H37-E41 IonicContact CE1-OE1 3.15Å; H37-E41 PolarHBondContact CE1-OE1 3.26Å; H37-E41 IonicContact ND1-OE1 3.31Å; H37-E41 PolarHBondContact ND1-OE1 2.97Å; H37-E41 PolarHBondContact O-N 2.8Å; D38-E41 PolarHBondContact O-N 3.44Å; E41-Q43 PolarHBondContact O-N 3.45Å; E41-G44 WeakPolarHBondContact O-CA 3.25Å; E41-G44 PolarHBondContact O-N 3.46Å
42D87.9Confident88Confident131 Ų13172.7 Ų72.770%0.70141%0.41SS*.Hα-helixtrans-57.9-38174.717882.1000111.9D38 G44D38-D42 PolarHBondContact O-N 3.16Å; D42-G44 VanDerWaalsContact C-N 3.27Å; D42-G44 PolarHBondContact O-N 3.2Å
43Q84.3Confident87.6Confident59 Ų5971 Ų7128%0.27640%0.404SS..THydrogen-bonded Turntrans-81.6-3.5177.3-63.6-60.4-67.100113.2V39 L40 E41 V45 V62 I67V39-Q43 WeakPolarHBondContact O-CG 3.37Å; V39-Q43 PolarHBondContact O-N 3.33Å; L40-Q43 PolarHBondContact O-N 2.81Å; E41-Q43 PolarHBondContact O-N 3.45Å; Q43-V45 VanDerWaalsContact C-N 3.29Å; Q43-V45 PolarHBondContact O-N 3.05Å; Q43-V62 HydrophobicContact CB-CG1 3.66Å; Q43-V62 HydrophobicContact CG-CG1 4.28Å; Q43-I67 HydrophobicContact CB-CD1 4.47Å; Q43-I67 HydrophobicContact CB-CG1 4.45Å
44G81.6Confident87.2Confident69 Ų6975 Ų7571%0.71144%0.441SS*.THydrogen-bonded Turntrans70.519.2176.700000114.7L40 E41 D42L40-G44 PolarHBondContact O-N 3.22Å; E41-G44 WeakPolarHBondContact O-CA 3.25Å; E41-G44 PolarHBondContact O-N 3.46Å; D42-G44 VanDerWaalsContact C-N 3.27Å; D42-G44 PolarHBondContact O-N 3.2Å
45V80.6Confident86.8Confident11 Ų1176 Ų767%0.06745%0.448CS..  trans-125.6117-175.7-178.30000110L40 Q43 L51 V62 I67L40-V45 WeakPolarHBondContact CB-O 3.19Å; L40-V45 PolarHBondContact O-N 3.47Å; L40-V45 VanDerWaalsContact O-N 3.13Å; Q43-V45 VanDerWaalsContact C-N 3.29Å; Q43-V45 PolarHBondContact O-N 3.05Å; V45-L51 HydrophobicContact CG1-CD2 4.35Å; V45-V62 HydrophobicContact CG2-CG1 4.15Å; V45-V62 HydrophobicContact CG2-CG2 4.18Å; V45-I67 HydrophobicContact CB-CD1 4.07Å; V45-I67 HydrophobicContact CG1-CD1 4.37Å; V45-I67 HydrophobicContact CG2-CD1 3.99Å
46G81.2Confident86.4Confident45 Ų4575.9 Ų75.946%0.46445%0.453SS..  trans-65.7168.7174.800000113.8E48 G49 R71G46-E48 PolarHBondContact O-N 3.32Å; G46-E48 VanDerWaalsContact O-N 3.09Å; G46-G49 PolarHBondContact O-N 2.78Å; G46-G49 VanDerWaalsContact O-N 3.17Å; G46-R71 PolarHBondContact O-NH2 2.73Å
47V83.4Confident86Confident60 Ų6079.8 Ų79.836%0.36447%0.468SS..THydrogen-bonded Turntrans-54.8-29.4-178.1-72.20000114.7L40 R71 I74L40-V47 HydrophobicContact CD1-CG1 3.69Å; V47-R71 WeakPolarHBondContact O-CD 3.45Å; V47-R71 WeakPolarHBondContact O-CG 3.12Å; V47-R71 PolarHBondContact O-NE 3.05Å; V47-I74 HydrophobicContact CG1-CD1 3.98Å
48E83.8Confident85.7Confident185 Ų18580.2 Ų80.286%0.86448%0.477SS*.THydrogen-bonded Turntrans-116.38.3-178.1-64.1-172.1127.100113.7G46G46-E48 PolarHBondContact O-N 3.32Å; G46-E48 VanDerWaalsContact O-N 3.09Å
49G84.2Confident85.4Confident19 Ų1980.3 Ų80.320%0.19647%0.471CS..  trans-64.9149.5-177.300000113.9G46 L51 R71G46-G49 PolarHBondContact O-N 2.78Å; G46-G49 VanDerWaalsContact O-N 3.17Å; G49-L51 PolarHBondContact O-N 2.99Å; G49-R71 VanDerWaalsContact N-NH2 3.16Å; G49-R71 VanDerWaalsContact O-CZ 3.28Å; G49-R71 PolarHBondContact O-NH1 2.85Å; G49-R71 PolarHBondContact O-NH2 3.42Å
50P85.6Confident85.1Confident88 Ų8882.2 Ų82.257%0.57149%0.494SS*.  trans-66.9130.6174.925.8-31.5000111.4V52P50-V52 VanDerWaalsContact C-N 3.32Å
51L86.1Confident84.8Confident43 Ų4387.8 Ų87.823%0.22552%0.524CS..SBendtrans-89.60.4178.3-67.4173.4000113.6V45 G49 R59 L64 I67V45-L51 HydrophobicContact CG1-CD2 4.35Å; G49-L51 PolarHBondContact O-N 2.99Å; L51-R59 PolarHBondContact O-N 3.49Å; L51-L64 HydrophobicContact CB-CD2 3.83Å; L51-L64 HydrophobicContact CD2-CD2 3.99Å; L51-L64 HydrophobicContact CG-CD2 4.37Å; L51-L64 WeakPolarHBondContact O-CD2 3.4Å; L51-I67 HydrophobicContact CD2-CB 4.13Å; L51-I67 HydrophobicContact CD2-CD1 3.87Å; L51-I67 HydrophobicContact CD2-CG2 3.59Å
52V87Confident84.6Confident70 Ų7082.7 Ų82.742%0.42450%0.502SS..BIsolated β-bridgetrans-110.8153.8179-650000109.6P50 Y57 R59P50-V52 VanDerWaalsContact C-N 3.32Å; V52-Y57 CarbonylContact C-O 3.59Å; V52-Y57 VanDerWaalsContact CA-O 3.24Å; V52-Y57 WeakPolarHBondContact CA-O 3.39Å; V52-R59 PolarHBondContact O-NE 2.67Å
53D86.3Confident84.6Confident59 Ų5980.3 Ų80.332%0.31649%0.489SS..  trans-76.7-176.4169.762.923.9000111.5E55 G56 Y57D53-E55 PolarHBondContact O-N 3.06Å; D53-E55 WeakPolarHBondContact OD1-CA 3.47Å; D53-E55 PolarHBondContact OD1-N 2.96Å; D53-G56 PolarHBondContact O-N 3.49Å; D53-G56 PolarHBondContact OD1-N 3.12Å; D53-Y57 PolarHBondContact N-O 2.81Å; D53-Y57 PolarHBondContact OD1-N 2.68Å
54A86.3Confident84.6Confident115 Ų11580.1 Ų80.195%0.9549%0.489SS*.THydrogen-bonded Turntrans-67.9-16.4179.300000113.6
55E85.8Confident85Confident160 Ų16085 Ų8575%0.74849%0.487SS*.THydrogen-bonded Turntrans-96.8-6.3-179.7-62.8-179.3132.900111.8D53 Y57D53-E55 PolarHBondContact O-N 3.06Å; D53-E55 WeakPolarHBondContact OD1-CA 3.47Å; D53-E55 PolarHBondContact OD1-N 2.96Å; E55-Y57 HydrophobicContact CB-CD2 3.84Å; E55-Y57 HydrophobicContact CB-CE2 4.24Å
56G85Confident85.3Confident52 Ų5286.7 Ų86.754%0.53650%0.498SS..SBendtrans89.111.8178.200000114.2D53D53-G56 PolarHBondContact O-N 3.49Å; D53-G56 PolarHBondContact OD1-N 3.12Å
57Y85.4Confident85.8Confident158 Ų15884.6 Ų84.662%0.6248%0.476SS*.PPolyproline II helixtrans-91.8153.4176.3-67.3-86.1000111.6V52 D53 E55 R59V52-Y57 CarbonylContact C-O 3.59Å; V52-Y57 VanDerWaalsContact CA-O 3.24Å; V52-Y57 WeakPolarHBondContact CA-O 3.39Å; D53-Y57 PolarHBondContact N-O 2.81Å; D53-Y57 PolarHBondContact OD1-N 2.68Å; E55-Y57 HydrophobicContact CB-CD2 3.84Å; E55-Y57 HydrophobicContact CB-CE2 4.24Å; Y57-R59 PolarHBondContact O-N 3.03Å
58P87.1Confident86.1Confident85 Ų8590.8 Ų90.855%0.55249%0.493SS*.BIsolated β-bridgetrans-64.3130.7177.4-12.626000110.5A60 L64P58-A60 PolarHBondContact O-N 2.82Å; P58-L64 HydrophobicContact CB-CD1 3.32Å
59R85.5Confident86.5Confident83 Ų8385.2 Ų85.231%0.31347%0.469SS..PPolyproline II helixtrans-57.2125.6179.3-83.4-170-170.7-152.93.7112L51 V52 Y57 D61 V62L51-R59 PolarHBondContact O-N 3.49Å; V52-R59 PolarHBondContact O-NE 2.67Å; Y57-R59 PolarHBondContact O-N 3.03Å; R59-D61 WeakPolarHBondContact CB-OD1 3.38Å; R59-V62 HydrophobicContact CB-CG2 4.43Å
60A83.1Confident86.9Confident109 Ų10984.4 Ų84.490%0.90146%0.461SS*.SBendtrans-85.8-17.2179.800000113P58 V62P58-A60 PolarHBondContact O-N 2.82Å; A60-V62 VanDerWaalsContact C-N 3.31Å
61D83.5Confident87.2Confident119 Ų11982.6 Ų82.664%0.63644%0.443SS*.SBendtrans-76.2-15.9178.753.4-48.1000113.3R59R59-D61 WeakPolarHBondContact CB-OD1 3.38Å
62V83.4Confident87.6Confident16 Ų1686.1 Ų86.110%0.09746%0.458CS..SBendtrans-134.3145.9-171.3-147.50000112.8Q43 V45 R59 A60 L64 I67Q43-V62 HydrophobicContact CB-CG1 3.66Å; Q43-V62 HydrophobicContact CG-CG1 4.28Å; V45-V62 HydrophobicContact CG2-CG1 4.15Å; V45-V62 HydrophobicContact CG2-CG2 4.18Å; R59-V62 HydrophobicContact CB-CG2 4.43Å; A60-V62 VanDerWaalsContact C-N 3.31Å; V62-L64 PolarHBondContact O-N 3.27Å; V62-L64 VanDerWaalsContact O-N 3.08Å; V62-I67 HydrophobicContact CB-CD1 3.95Å; V62-I67 HydrophobicContact CG1-CD1 3.25Å; V62-I67 HydrophobicContact CG1-CG1 4.3Å
63N88.2Confident87.9Confident81 Ų8184.5 Ų84.543%0.43345%0.447SS..  trans-77.897.5175.4-172.1-19.1000111.1Y65 T66 I67N63-Y65 PolarHBondContact O-N 3.09Å; N63-Y65 WeakPolarHBondContact OD1-CB 3.36Å; N63-Y65 PolarHBondContact OD1-N 3.12Å; N63-Y65 VanDerWaalsContact OD1-N 3.13Å; N63-T66 HydrophobicContact CB-CG2 4.43Å; N63-T66 WeakPolarHBondContact CB-OG1 3.48Å; N63-T66 WeakPolarHBondContact ND2-CG2 3.42Å; N63-T66 PolarHBondContact O-N 3.27Å; N63-T66 PolarHBondContact O-OG1 2.77Å; N63-T66 PolarHBondContact OD1-N 2.9Å; N63-I67 WeakPolarHBondContact O-CG1 3.14Å; N63-I67 PolarHBondContact O-N 3.36Å
64L84.3Confident88.3Confident55 Ų5582 Ų8229%0.28843%0.433SS..Hα-helixtrans-60.7-31.8-178.6-62.4169.5000113.6L51 P58 V62 R68L51-L64 HydrophobicContact CB-CD2 3.83Å; L51-L64 HydrophobicContact CD2-CD2 3.99Å; L51-L64 HydrophobicContact CG-CD2 4.37Å; L51-L64 WeakPolarHBondContact O-CD2 3.4Å; P58-L64 HydrophobicContact CB-CD1 3.32Å; V62-L64 PolarHBondContact O-N 3.27Å; V62-L64 VanDerWaalsContact O-N 3.08Å; L64-R68 VanDerWaalsContact O-CB 3.23Å; L64-R68 WeakPolarHBondContact O-CB 3.5Å; L64-R68 PolarHBondContact O-N 2.94Å
65Y88.8Confident88.6Confident171 Ų17179.2 Ų79.267%0.67141%0.407SS*.Hα-helixtrans-67.6-50.9-179.5175.6-94.5000110.4N63 I67 R68 D69N63-Y65 PolarHBondContact O-N 3.09Å; N63-Y65 WeakPolarHBondContact OD1-CB 3.36Å; N63-Y65 PolarHBondContact OD1-N 3.12Å; N63-Y65 VanDerWaalsContact OD1-N 3.13Å; Y65-I67 VanDerWaalsContact C-N 3.32Å; Y65-I67 PolarHBondContact O-N 2.93Å; Y65-R68 PolarHBondContact O-N 3.07Å; Y65-D69 WeakPolarHBondContact O-CB 3.28Å; Y65-D69 PolarHBondContact O-N 3.11Å
66T88.6Confident89Confident47 Ų4773.9 Ų73.929%0.28839%0.387SS..Hα-helixtrans-64.9-37.3-179.455.30000111.6N63 A70N63-T66 HydrophobicContact CB-CG2 4.43Å; N63-T66 WeakPolarHBondContact CB-OG1 3.48Å; N63-T66 WeakPolarHBondContact ND2-CG2 3.42Å; N63-T66 PolarHBondContact O-N 3.27Å; N63-T66 PolarHBondContact O-OG1 2.77Å; N63-T66 PolarHBondContact OD1-N 2.9Å; T66-A70 WeakPolarHBondContact O-CB 3.4Å; T66-A70 PolarHBondContact O-N 3.25Å
67I90Very high89.5Confident1 Ų172.3 Ų72.31%0.00537%0.366CS..Hα-helixtrans-66.1-45.6175.8-65.5166000111.5L40 Q43 V45 L51 V62 N63 Y65 D69 A70 R71L40-I67 HydrophobicContact CD2-CB 4.1Å; L40-I67 HydrophobicContact CD2-CG1 4.07Å; L40-I67 HydrophobicContact CD2-CG2 3.67Å; Q43-I67 HydrophobicContact CB-CD1 4.47Å; Q43-I67 HydrophobicContact CB-CG1 4.45Å; V45-I67 HydrophobicContact CB-CD1 4.07Å; V45-I67 HydrophobicContact CG1-CD1 4.37Å; V45-I67 HydrophobicContact CG2-CD1 3.99Å; L51-I67 HydrophobicContact CD2-CB 4.13Å; L51-I67 HydrophobicContact CD2-CD1 3.87Å; L51-I67 HydrophobicContact CD2-CG2 3.59Å; V62-I67 HydrophobicContact CB-CD1 3.95Å; V62-I67 HydrophobicContact CG1-CD1 3.25Å; V62-I67 HydrophobicContact CG1-CG1 4.3Å; N63-I67 WeakPolarHBondContact O-CG1 3.14Å; N63-I67 PolarHBondContact O-N 3.36Å; Y65-I67 VanDerWaalsContact C-N 3.32Å; Y65-I67 PolarHBondContact O-N 2.93Å; I67-D69 VanDerWaalsContact C-N 3.31Å; I67-D69 PolarHBondContact O-N 2.68Å; I67-A70 PolarHBondContact O-N 2.66Å; I67-R71 HydrophobicContact CG2-CG 4.21Å; I67-R71 VanDerWaalsContact CG2-NE 3.33Å; I67-R71 WeakPolarHBondContact O-CB 3.12Å; I67-R71 VanDerWaalsContact O-CG 3.27Å; I67-R71 WeakPolarHBondContact O-CG 3.36Å; I67-R71 PolarHBondContact O-N 2.74Å
68R90.2Very high89.9Confident190 Ų19069.8 Ų69.872%0.71736%0.36SS*.Hα-helixtrans-64.8-40.8-179-172.4178.7178.3120.40.7111.1L64 Y65 H72L64-R68 VanDerWaalsContact O-CB 3.23Å; L64-R68 WeakPolarHBondContact O-CB 3.5Å; L64-R68 PolarHBondContact O-N 2.94Å; Y65-R68 PolarHBondContact O-N 3.07Å; R68-H72 WeakPolarHBondContact O-CB 3.47Å; R68-H72 PolarHBondContact O-N 2.75Å
69D92.1Very high90.3Very high68 Ų6870.5 Ų70.536%0.36436%0.359SS..Hα-helixtrans-63.5-50.7175.5-166.474.2000111.1Y65 I67 R71 H72 N73Y65-D69 WeakPolarHBondContact O-CB 3.28Å; Y65-D69 PolarHBondContact O-N 3.11Å; I67-D69 VanDerWaalsContact C-N 3.31Å; I67-D69 PolarHBondContact O-N 2.68Å; D69-R71 PolarHBondContact O-N 2.69Å; D69-H72 PolarHBondContact O-N 3.32Å; D69-N73 WeakPolarHBondContact O-CB 3.36Å; D69-N73 PolarHBondContact O-N 2.88Å; D69-N73 PolarHBondContact O-ND2 3.03Å; D69-N73 PolarHBondContact OD2-ND2 3.37Å
70A92.6Very high90.6Very high3 Ų370.6 Ų70.63%0.02537%0.366CS..Hα-helixtrans-59-44.3177.400000112.4Y36 L40 T66 I67 H72 N73 I74Y36-A70 HydrophobicContact CD1-CB 4.03Å; L40-A70 HydrophobicContact CD1-CB 4.47Å; L40-A70 HydrophobicContact CD2-CB 3.94Å; L40-A70 HydrophobicContact CG-CB 4.03Å; T66-A70 WeakPolarHBondContact O-CB 3.4Å; T66-A70 PolarHBondContact O-N 3.25Å; I67-A70 PolarHBondContact O-N 2.66Å; A70-H72 PolarHBondContact O-N 2.64Å; A70-N73 PolarHBondContact O-N 2.86Å; A70-I74 WeakPolarHBondContact O-CB 3.38Å; A70-I74 WeakPolarHBondContact O-CD1 3.32Å; A70-I74 WeakPolarHBondContact O-CG1 3.24Å; A70-I74 PolarHBondContact O-N 3.1Å
71R92.7Very high91.2Very high49 Ų4967.3 Ų67.319%0.18533%0.332CS..Hα-helixtrans-63-42.3176.1-74.7176.6-176.7-168.7-1.1112.6L40 G46 V47 G49 I67 D69 S75L40-R71 HydrophobicContact CD1-CG 4.26Å; L40-R71 HydrophobicContact CD2-CG 4.47Å; G46-R71 PolarHBondContact O-NH2 2.73Å; V47-R71 WeakPolarHBondContact O-CD 3.45Å; V47-R71 WeakPolarHBondContact O-CG 3.12Å; V47-R71 PolarHBondContact O-NE 3.05Å; G49-R71 VanDerWaalsContact N-NH2 3.16Å; G49-R71 VanDerWaalsContact O-CZ 3.28Å; G49-R71 PolarHBondContact O-NH1 2.85Å; G49-R71 PolarHBondContact O-NH2 3.42Å; I67-R71 HydrophobicContact CG2-CG 4.21Å; I67-R71 VanDerWaalsContact CG2-NE 3.33Å; I67-R71 WeakPolarHBondContact O-CB 3.12Å; I67-R71 VanDerWaalsContact O-CG 3.27Å; I67-R71 WeakPolarHBondContact O-CG 3.36Å; I67-R71 PolarHBondContact O-N 2.74Å; D69-R71 PolarHBondContact O-N 2.69Å; R71-S75 WeakPolarHBondContact O-CB 3.39Å; R71-S75 PolarHBondContact O-N 3.35Å
72H94Very high91.7Very high117 Ų11769.2 Ų69.254%0.54233%0.334SS..Hα-helixtrans-61.7-48.7176.8179.859.3000110.5R68 D69 A70 I74 S75 C76R68-H72 WeakPolarHBondContact O-CB 3.47Å; R68-H72 PolarHBondContact O-N 2.75Å; D69-H72 PolarHBondContact O-N 3.32Å; A70-H72 PolarHBondContact O-N 2.64Å; H72-I74 PolarHBondContact O-N 3.09Å; H72-S75 PolarHBondContact O-N 2.73Å; H72-C76 VanDerWaalsContact CE1-SG 3.57Å; H72-C76 PolarHBondContact O-N 3.42Å; H72-C76 PolarHBondContact O-SG 3.21Å; H72-C76 VanDerWaalsContact O-SG 3.33Å
73N93.6Very high92.3Very high36 Ų3670.7 Ų70.719%0.19335%0.348CS..Hα-helixtrans-63.3-42.6179.7-65-23.6000111.8Y36 D69 A70 S75 C76 L77Y36-N73 HydrophobicContact CD1-CB 4.48Å; Y36-N73 HydrophobicContact CD2-CB 4.18Å; Y36-N73 HydrophobicContact CE1-CB 4.17Å; Y36-N73 HydrophobicContact CE2-CB 3.87Å; Y36-N73 HydrophobicContact CG-CB 4.5Å; Y36-N73 PolarHBondContact OH-ND2 3.44Å; D69-N73 WeakPolarHBondContact O-CB 3.36Å; D69-N73 PolarHBondContact O-N 2.88Å; D69-N73 PolarHBondContact O-ND2 3.03Å; D69-N73 PolarHBondContact OD2-ND2 3.37Å; A70-N73 PolarHBondContact O-N 2.86Å; N73-S75 VanDerWaalsContact C-N 3.33Å; N73-S75 PolarHBondContact O-N 3.36Å; N73-C76 PolarHBondContact O-N 3.43Å; N73-L77 WeakPolarHBondContact O-CB 3.34Å; N73-L77 VanDerWaalsContact O-CG 3.25Å; N73-L77 WeakPolarHBondContact O-CG 3.27Å; N73-L77 PolarHBondContact O-N 2.78Å
74I93.8Very high92.5Very high6 Ų667.9 Ų67.93%0.03133%0.333CS..Hα-helixtrans-58.5-45.9174-71.7165000110.6Y36 L40 V47 A70 H72 C76 L77 Q78Y36-I74 HydrophobicContact CG-CG1 4.37Å; L40-I74 HydrophobicContact CD1-CD1 3.45Å; L40-I74 VanDerWaalsContact CD1-CD1 3.45Å; L40-I74 HydrophobicContact CG-CD1 4.46Å; V47-I74 HydrophobicContact CG1-CD1 3.98Å; A70-I74 WeakPolarHBondContact O-CB 3.38Å; A70-I74 WeakPolarHBondContact O-CD1 3.32Å; A70-I74 WeakPolarHBondContact O-CG1 3.24Å; A70-I74 PolarHBondContact O-N 3.1Å; H72-I74 PolarHBondContact O-N 3.09Å; I74-C76 PolarHBondContact O-N 2.76Å; I74-L77 PolarHBondContact O-N 3.45Å; I74-Q78 HydrophobicContact CG2-CG 4.17Å; I74-Q78 VanDerWaalsContact O-CB 3.29Å; I74-Q78 WeakPolarHBondContact O-CB 3.24Å; I74-Q78 WeakPolarHBondContact O-CG 3.45Å; I74-Q78 PolarHBondContact O-N 3.01Å
75S93.7Very high92.9Very high58 Ų5869 Ų6941%0.40634%0.337SS..Hα-helixtrans-64.3-41.1-179.9-173.80000112.1R71 H72 N73 N79R71-S75 WeakPolarHBondContact O-CB 3.39Å; R71-S75 PolarHBondContact O-N 3.35Å; H72-S75 PolarHBondContact O-N 2.73Å; N73-S75 VanDerWaalsContact C-N 3.33Å; N73-S75 PolarHBondContact O-N 3.36Å; S75-N79 VanDerWaalsContact O-CG 3.29Å; S75-N79 PolarHBondContact O-N 3.49Å; S75-N79 VanDerWaalsContact O-N 3.17Å; S75-N79 PolarHBondContact O-ND2 2.84Å; S75-N79 VanDerWaalsContact O-ND2 3.15Å
76C93.8Very high93.2Very high48 Ų4863.5 Ų63.532%0.32433%0.327SS..Hα-helixtrans-62.1-51.7174.1-670000111.3H72 N73 I74 Q78 N79 D80H72-C76 VanDerWaalsContact CE1-SG 3.57Å; H72-C76 PolarHBondContact O-N 3.42Å; H72-C76 PolarHBondContact O-SG 3.21Å; H72-C76 VanDerWaalsContact O-SG 3.33Å; N73-C76 PolarHBondContact O-N 3.43Å; I74-C76 PolarHBondContact O-N 2.76Å; C76-Q78 VanDerWaalsContact C-N 3.32Å; C76-Q78 PolarHBondContact O-N 3.01Å; C76-N79 WeakPolarHBondContact O-CB 3.36Å; C76-N79 PolarHBondContact O-N 3.39Å; C76-N79 VanDerWaalsContact O-N 3.11Å; C76-D80 PolarHBondContact O-N 3.18Å
77L94.8Very high93.3Very high19 Ų1966 Ų6610%0.09934%0.336CS..Hα-helixtrans-63.4-35-179.5-71.3172000112.9I29 Q32 I33 Y36 N73 I74 D80 H81I29-L77 HydrophobicContact CG1-CD2 4.49Å; I29-L77 HydrophobicContact CG2-CB 4.06Å; I29-L77 HydrophobicContact CG2-CD2 4.14Å; I29-L77 WeakPolarHBondContact CG2-O 3.47Å; Q32-L77 HydrophobicContact CB-CD1 3.77Å; I33-L77 HydrophobicContact CD1-CB 4Å; I33-L77 HydrophobicContact CG1-CB 3.58Å; I33-L77 HydrophobicContact CG1-CD1 4.12Å; I33-L77 HydrophobicContact CG1-CG 4.5Å; Y36-L77 HydrophobicContact CD2-CD1 3.83Å; Y36-L77 HydrophobicContact CE2-CD1 3.79Å; N73-L77 WeakPolarHBondContact O-CB 3.34Å; N73-L77 VanDerWaalsContact O-CG 3.25Å; N73-L77 WeakPolarHBondContact O-CG 3.27Å; N73-L77 PolarHBondContact O-N 2.78Å; I74-L77 PolarHBondContact O-N 3.45Å; L77-D80 PolarHBondContact O-N 3.5Å; L77-H81 VanDerWaalsContact O-CB 3.26Å; L77-H81 WeakPolarHBondContact O-CB 3.38Å; L77-H81 PolarHBondContact O-N 3.43Å
78Q93.9Very high93.4Very high104 Ų10467 Ų6749%0.48634%0.341SS..Hα-helixtrans-66-38.6174.3-78.7177.9-14.900112.2I33 I74 C76 K82I33-Q78 HydrophobicContact CD1-CG 4.08Å; I74-Q78 HydrophobicContact CG2-CG 4.17Å; I74-Q78 VanDerWaalsContact O-CB 3.29Å; I74-Q78 WeakPolarHBondContact O-CB 3.24Å; I74-Q78 WeakPolarHBondContact O-CG 3.45Å; I74-Q78 PolarHBondContact O-N 3.01Å; C76-Q78 VanDerWaalsContact C-N 3.32Å; C76-Q78 PolarHBondContact O-N 3.01Å; Q78-K82 WeakPolarHBondContact O-CB 3.17Å; Q78-K82 PolarHBondContact O-N 2.92Å
79N94.9Very high93.4Very high101 Ų10163.6 Ų63.654%0.5433%0.333SS..Hα-helixtrans-66.3-42.9174.1-69.9-30.6000111S75 C76 K82 A83S75-N79 VanDerWaalsContact O-CG 3.29Å; S75-N79 PolarHBondContact O-N 3.49Å; S75-N79 VanDerWaalsContact O-N 3.17Å; S75-N79 PolarHBondContact O-ND2 2.84Å; S75-N79 VanDerWaalsContact O-ND2 3.15Å; C76-N79 WeakPolarHBondContact O-CB 3.36Å; C76-N79 PolarHBondContact O-N 3.39Å; C76-N79 VanDerWaalsContact O-N 3.11Å; N79-K82 WeakPolarHBondContact O-CB 3.05Å; N79-K82 PolarHBondContact O-N 3.22Å; N79-A83 PolarHBondContact O-N 3.46Å
80D93.5Very high93.3Very high84 Ų8465.4 Ų65.445%0.44934%0.339SS..Hα-helixtrans-64.8-43.9177.2-66.3-21.9000111.4I29 C76 L77 K82 A83 I84I29-D80 HydrophobicContact CD1-CB 4.14Å; C76-D80 PolarHBondContact O-N 3.18Å; L77-D80 PolarHBondContact O-N 3.5Å; D80-K82 VanDerWaalsContact C-N 3.3Å; D80-K82 PolarHBondContact O-N 2.93Å; D80-A83 WeakPolarHBondContact O-CB 3.47Å; D80-A83 PolarHBondContact O-N 3.33Å; D80-A83 VanDerWaalsContact O-N 3.09Å; D80-I84 WeakPolarHBondContact O-CG1 3.28Å; D80-I84 PolarHBondContact O-N 3.24Å
81H94.1Very high93.1Very high40 Ų4065.4 Ų65.419%0.18534%0.339CS..Hα-helixtrans-57.5-43.8173.8176.9-96.9000111.3K26 I29 E30 I33 L77 A83 I84 M85K26-H81 WeakPolarHBondContact CE-NE2 3.26Å; K26-H81 WeakPolarHBondContact CG-NE2 3.25Å; I29-H81 HydrophobicContact CG2-CB 3.87Å; E30-H81 IonicContact OE1-NE2 3.43Å; E30-H81 PolarHBondContact OE1-NE2 3.12Å; I33-H81 HydrophobicContact CD1-CB 4.49Å; L77-H81 VanDerWaalsContact O-CB 3.26Å; L77-H81 WeakPolarHBondContact O-CB 3.38Å; L77-H81 PolarHBondContact O-N 3.43Å; H81-A83 VanDerWaalsContact C-N 3.32Å; H81-A83 PolarHBondContact O-N 3.05Å; H81-I84 PolarHBondContact O-N 3.19Å; H81-M85 WeakPolarHBondContact O-CB 3.5Å; H81-M85 VanDerWaalsContact O-CG 3.25Å; H81-M85 WeakPolarHBondContact O-CG 3.15Å; H81-M85 PolarHBondContact O-N 2.81Å
82K95.1Very high92.9Very high160 Ų16066.8 Ų66.870%0.69635%0.35SS*.Hα-helixtrans-62.9-38.7175.8-174.1179.6178.3-178.10112Q78 N79 D80 A86Q78-K82 WeakPolarHBondContact O-CB 3.17Å; Q78-K82 PolarHBondContact O-N 2.92Å; N79-K82 WeakPolarHBondContact O-CB 3.05Å; N79-K82 PolarHBondContact O-N 3.22Å; D80-K82 VanDerWaalsContact C-N 3.3Å; D80-K82 PolarHBondContact O-N 2.93Å; K82-A86 PolarHBondContact O-N 2.61Å
83A94.8Very high92.6Very high46 Ų4667 Ų6738%0.3835%0.351SS..Hα-helixtrans-65-47.6175.600000111.5N79 D80 H81 M85 A86 E87N79-A83 PolarHBondContact O-N 3.46Å; D80-A83 WeakPolarHBondContact O-CB 3.47Å; D80-A83 PolarHBondContact O-N 3.33Å; D80-A83 VanDerWaalsContact O-N 3.09Å; H81-A83 VanDerWaalsContact C-N 3.32Å; H81-A83 PolarHBondContact O-N 3.05Å; A83-M85 VanDerWaalsContact C-N 3.31Å; A83-M85 PolarHBondContact O-N 3.35Å; A83-A86 WeakPolarHBondContact O-CB 3.44Å; A83-A86 PolarHBondContact O-N 2.85Å; A83-A86 VanDerWaalsContact O-N 3.14Å; A83-E87 PolarHBondContact O-N 3Å
84I93.5Very high92.4Very high22 Ų2270.1 Ų70.111%0.11336%0.363CS..Hα-helixtrans-61.5-39.7177.2-67-175.3000111.3L22 K25 K26 I29 D80 H81 A86 E87 I88L22-I84 HydrophobicContact CB-CG2 4.49Å; L22-I84 HydrophobicContact CD2-CG2 4.5Å; K25-I84 HydrophobicContact CB-CD1 4.01Å; K26-I84 HydrophobicContact CB-CG2 4.07Å; I29-I84 HydrophobicContact CD1-CD1 3.44Å; I29-I84 VanDerWaalsContact CD1-CD1 3.44Å; D80-I84 WeakPolarHBondContact O-CG1 3.28Å; D80-I84 PolarHBondContact O-N 3.24Å; H81-I84 PolarHBondContact O-N 3.19Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 3.22Å; I84-E87 PolarHBondContact O-N 3.41Å; I84-I88 HydrophobicContact CG2-CD1 3.78Å; I84-I88 HydrophobicContact CG2-CG1 4.26Å; I84-I88 VanDerWaalsContact O-CG1 3.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.17Å; I84-I88 PolarHBondContact O-N 3.37Å
85M93.1Very high92Very high79 Ų7971.2 Ų71.239%0.38937%0.368SS..Hα-helixtrans-60.9-40.9175.9-75.9-62.9-6500112.3K26 H81 A83 I88 E89K26-M85 HydrophobicContact CD-SD 3.53Å; K26-M85 VanDerWaalsContact CD-SD 3.53Å; K26-M85 WeakPolarHBondContact CE-SD 3.25Å; K26-M85 HydrophobicContact CG-SD 4.18Å; H81-M85 WeakPolarHBondContact O-CB 3.5Å; H81-M85 VanDerWaalsContact O-CG 3.25Å; H81-M85 WeakPolarHBondContact O-CG 3.15Å; H81-M85 PolarHBondContact O-N 2.81Å; A83-M85 VanDerWaalsContact C-N 3.31Å; A83-M85 PolarHBondContact O-N 3.35Å; M85-I88 PolarHBondContact O-N 2.91Å; M85-I88 HydrophobicContact SD-CD1 4.45Å; M85-E89 PolarHBondContact O-N 2.85Å
86A94Very high91.6Very high55 Ų5573.2 Ų73.246%0.45537%0.371SS..Hα-helixtrans-66.3-39175.500000112.1K82 A83 I84 E89 E90K82-A86 PolarHBondContact O-N 2.61Å; A83-A86 WeakPolarHBondContact O-CB 3.44Å; A83-A86 PolarHBondContact O-N 2.85Å; A83-A86 VanDerWaalsContact O-N 3.14Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 3.22Å; A86-E89 PolarHBondContact O-N 3.01Å; A86-E90 PolarHBondContact O-N 3.4Å
87E91.6Very high91.3Very high101 Ų10173.8 Ų73.847%0.47238%0.38SS..Hα-helixtrans-64.3-41.6174.8-71.5-179.9-160.400112.2L22 A83 I84 E90 A91L22-E87 HydrophobicContact CD1-CB 4.32Å; A83-E87 PolarHBondContact O-N 3Å; I84-E87 PolarHBondContact O-N 3.41Å; E87-E90 PolarHBondContact O-N 3.18Å; E87-A91 WeakPolarHBondContact O-CB 3.25Å; E87-A91 PolarHBondContact O-N 3.03Å
88I91.4Very high90.6Very high22 Ų2279.9 Ų79.911%0.11340%0.401CS..Hα-helixtrans-62-44.8175.9-69.2166.8000110.5L22 I23 K26 I84 M85 A91 L92L22-I88 HydrophobicContact CB-CD1 4.07Å; L22-I88 HydrophobicContact CB-CG1 3.56Å; L22-I88 HydrophobicContact CD1-CG1 4.15Å; L22-I88 HydrophobicContact CG-CG1 4.45Å; I23-I88 HydrophobicContact CG1-CD1 4.23Å; K26-I88 HydrophobicContact CB-CD1 4.34Å; K26-I88 HydrophobicContact CD-CD1 4.32Å; I84-I88 HydrophobicContact CG2-CD1 3.78Å; I84-I88 HydrophobicContact CG2-CG1 4.26Å; I84-I88 VanDerWaalsContact O-CG1 3.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.17Å; I84-I88 PolarHBondContact O-N 3.37Å; M85-I88 PolarHBondContact O-N 2.91Å; M85-I88 HydrophobicContact SD-CD1 4.45Å; I88-A91 PolarHBondContact O-N 3.43Å; I88-L92 WeakPolarHBondContact O-CB 3.25Å; I88-L92 PolarHBondContact O-N 2.93Å
89E90.8Very high90Very high118 Ų11879.8 Ų79.855%0.55140%0.401SS*.Hα-helixtrans-58.5-52.5177177.7176.2-178.600110.6M85 A86 A91 L92 H93M85-E89 PolarHBondContact O-N 2.85Å; A86-E89 PolarHBondContact O-N 3.01Å; E89-A91 VanDerWaalsContact C-N 3.33Å; E89-A91 PolarHBondContact O-N 2.89Å; E89-L92 PolarHBondContact O-N 3.05Å; E89-H93 PolarHBondContact O-CD2 2.85Å; E89-H93 PolarHBondContact O-N 2.83Å; E89-H93 IonicContact OE1-NE2 2.68Å
90E90.3Very high89.3Confident106 Ų10681 Ų8150%0.49540%0.401SS..Hα-helixtrans-59.7-42.8179.2-171.8-177.5170.500112.2A86 E87 H93 K94A86-E90 PolarHBondContact O-N 3.4Å; E87-E90 PolarHBondContact O-N 3.18Å; E90-H93 PolarHBondContact O-N 3.43Å; E90-K94 HydrophobicContact CG-CD 4.23Å; E90-K94 WeakPolarHBondContact O-CG 3.17Å; E90-K94 PolarHBondContact O-N 2.91Å; E90-K94 WeakPolarHBondContact OE1-CE 3.23Å; E90-K94 IonicContact OE1-NZ 3.86Å; E90-K94 PolarHBondContact OE1-NZ 3.02Å
91A88.9Confident88.6Confident3 Ų378.5 Ų78.53%0.02539%0.392CS..Hα-helixtrans-60.3-45.7176.600000112.3I14 V19 E87 I88 E89 K94 L95I14-A91 HydrophobicContact CD1-CB 4.24Å; I14-A91 HydrophobicContact CG2-CB 3.68Å; V19-A91 HydrophobicContact CG2-CB 3.86Å; E87-A91 WeakPolarHBondContact O-CB 3.25Å; E87-A91 PolarHBondContact O-N 3.03Å; I88-A91 PolarHBondContact O-N 3.43Å; E89-A91 VanDerWaalsContact C-N 3.33Å; E89-A91 PolarHBondContact O-N 2.89Å; A91-K94 PolarHBondContact O-N 3.15Å; A91-L95 WeakPolarHBondContact O-CG 3.3Å; A91-L95 PolarHBondContact O-N 2.83Å
92L88.2Confident87.8Confident78 Ų7882.7 Ų82.741%0.40841%0.41SS..Hα-helixtrans-67.8-41.4180-169.468.3000111.5I88 E89 K94 L95 H96I88-L92 WeakPolarHBondContact O-CB 3.25Å; I88-L92 PolarHBondContact O-N 2.93Å; E89-L92 PolarHBondContact O-N 3.05Å; L92-K94 VanDerWaalsContact C-N 3.34Å; L92-K94 PolarHBondContact O-N 3.14Å; L92-L95 PolarHBondContact O-N 3.35Å; L92-H96 WeakPolarHBondContact CD1-NE2 3.36Å; L92-H96 PolarHBondContact O-CD2 2.92Å; L92-H96 PolarHBondContact O-N 3.17Å
93H88Confident86.8Confident121 Ų12183 Ų8356%0.5641%0.407SS*.Hα-helixtrans-61-41.9174.8-83.6-71.9000112.2E89 E90 A97E89-H93 PolarHBondContact O-CD2 2.85Å; E89-H93 PolarHBondContact O-N 2.83Å; E89-H93 IonicContact OE1-NE2 2.68Å; E90-H93 PolarHBondContact O-N 3.43Å; H93-A97 WeakPolarHBondContact O-CB 3.12Å; H93-A97 PolarHBondContact O-N 2.83Å
94K88.2Confident85.8Confident102 Ų10285.1 Ų85.144%0.44341%0.409SS..Hα-helixtrans-64.7-42.5176.4-75.3169.4179.2172.20112.2I14 E90 A91 L92 R98I14-K94 HydrophobicContact CD1-CD 3.43Å; I14-K94 VanDerWaalsContact CD1-CD 3.43Å; E90-K94 HydrophobicContact CG-CD 4.23Å; E90-K94 WeakPolarHBondContact O-CG 3.17Å; E90-K94 PolarHBondContact O-N 2.91Å; E90-K94 WeakPolarHBondContact OE1-CE 3.23Å; E90-K94 IonicContact OE1-NZ 3.86Å; E90-K94 PolarHBondContact OE1-NZ 3.02Å; A91-K94 PolarHBondContact O-N 3.15Å; L92-K94 VanDerWaalsContact C-N 3.34Å; L92-K94 PolarHBondContact O-N 3.14Å; K94-R98 WeakPolarHBondContact O-CB 3.15Å; K94-R98 PolarHBondContact O-N 3.38Å
95L85.9Confident84.4Confident28 Ų2892 Ų9215%0.14743%0.433CS..Hα-helixtrans-63.1-49.7176.3-77.3177.4000111.8I14 M16 V19 A91 L92 A97 R98 E99I14-L95 VanDerWaalsContact O-CD2 3.24Å; I14-L95 WeakPolarHBondContact O-CD2 3.28Å; M16-L95 HydrophobicContact CG-CD1 4.23Å; V19-L95 HydrophobicContact CG2-CD1 3.82Å; A91-L95 WeakPolarHBondContact O-CG 3.3Å; A91-L95 PolarHBondContact O-N 2.83Å; L92-L95 PolarHBondContact O-N 3.35Å; L95-A97 PolarHBondContact O-N 2.79Å; L95-R98 WeakPolarHBondContact O-CB 3.21Å; L95-R98 PolarHBondContact O-N 3.38Å; L95-E99 PolarHBondContact O-N 2.88Å
96H85.6Confident83.1Confident101 Ų10192.2 Ų92.247%0.46844%0.436SS..Hα-helixtrans-69.2-33179.1-72.4-47.6000113L92 R98 E99 K100L92-H96 WeakPolarHBondContact CD1-NE2 3.36Å; L92-H96 PolarHBondContact O-CD2 2.92Å; L92-H96 PolarHBondContact O-N 3.17Å; H96-R98 VanDerWaalsContact C-N 3.31Å; H96-R98 PolarHBondContact O-N 2.95Å; H96-E99 IonicContact CE1-OE2 3.51Å; H96-E99 IonicContact ND1-OE2 3.92Å; H96-E99 PolarHBondContact ND1-OE2 3.37Å; H96-E99 PolarHBondContact O-N 3.27Å; H96-K100 WeakPolarHBondContact O-CB 3.39Å; H96-K100 PolarHBondContact O-N 3.02Å
97A86.7Confident81.5Confident60 Ų6094 Ų9450%0.49644%0.435SS..Hα-helixtrans-63.2-39.2171.600000111.2H93 L95 A101H93-A97 WeakPolarHBondContact O-CB 3.12Å; H93-A97 PolarHBondContact O-N 2.83Å; L95-A97 PolarHBondContact O-N 2.79Å; A97-A101 VanDerWaalsContact O-CB 3.23Å; A97-A101 WeakPolarHBondContact O-CB 3.43Å; A97-A101 PolarHBondContact O-N 3.18Å
98R80.3Confident79.8Confident146 Ų14690.7 Ų90.755%0.55143%0.425SS*.Hα-helixtrans-66.7-46.8174.2-176-178.7-177.2162.55.4111.7E13 K94 L95 H96 K100 A101 K102E13-R98 IonicContact OE1-CZ 2.61Å; E13-R98 IonicContact OE1-NH1 3.24Å; E13-R98 PolarHBondContact OE1-NH1 3.11Å; E13-R98 IonicContact OE1-NH2 2.85Å; E13-R98 PolarHBondContact OE1-NH2 3.37Å; K94-R98 WeakPolarHBondContact O-CB 3.15Å; K94-R98 PolarHBondContact O-N 3.38Å; L95-R98 WeakPolarHBondContact O-CB 3.21Å; L95-R98 PolarHBondContact O-N 3.38Å; H96-R98 VanDerWaalsContact C-N 3.31Å; H96-R98 PolarHBondContact O-N 2.95Å; R98-K100 VanDerWaalsContact C-N 3.35Å; R98-A101 PolarHBondContact O-N 2.92Å; R98-K102 VanDerWaalsContact O-CB 3.3Å; R98-K102 WeakPolarHBondContact O-CB 3.33Å; R98-K102 PolarHBondContact O-N 2.97Å
99E80.6Confident78Confident103 Ų10397 Ų9748%0.48145%0.454SS..Hα-helixtrans-63.4-41.1176.7-75.1-169.9115.400111.8L95 H96 K102 R103L95-E99 PolarHBondContact O-N 2.88Å; H96-E99 IonicContact CE1-OE2 3.51Å; H96-E99 IonicContact ND1-OE2 3.92Å; H96-E99 PolarHBondContact ND1-OE2 3.37Å; H96-E99 PolarHBondContact O-N 3.27Å; E99-K102 PolarHBondContact O-N 3.48Å; E99-R103 WeakPolarHBondContact O-CB 3.44Å; E99-R103 PolarHBondContact O-N 3.45Å
100K81.9Confident76.1Confident126 Ų12695.8 Ų95.855%0.54846%0.459SS..Hα-helixtrans-64.5-47175.7-169.2-176.2-172.8-111.40110.9H96 R98 K102 R103 E104H96-K100 WeakPolarHBondContact O-CB 3.39Å; H96-K100 PolarHBondContact O-N 3.02Å; R98-K100 VanDerWaalsContact C-N 3.35Å; K100-K102 VanDerWaalsContact C-N 3.28Å; K100-K102 PolarHBondContact O-N 3.35Å; K100-R103 CarbonylContact O-C 3.6Å; K100-R103 PolarHBondContact O-N 3.09Å; K100-E104 WeakPolarHBondContact CE-OE1 3.43Å; K100-E104 HydrophobicContact CG-CG 4.32Å; K100-E104 IonicContact NZ-OE1 3.05Å; K100-E104 PolarHBondContact NZ-OE1 3.19Å; K100-E104 VanDerWaalsContact O-CB 3.28Å; K100-E104 WeakPolarHBondContact O-CB 3.47Å; K100-E104 VanDerWaalsContact O-CG 3.25Å; K100-E104 WeakPolarHBondContact O-CG 3.47Å; K100-E104 PolarHBondContact O-N 3.29Å
101A78.4Confident74.2Confident32 Ų3298.6 Ų98.626%0.26447%0.472SS..Hα-helixtrans-66.5-29.5177.200000112.9A97 R98 R105A97-A101 VanDerWaalsContact O-CB 3.23Å; A97-A101 WeakPolarHBondContact O-CB 3.43Å; A97-A101 PolarHBondContact O-N 3.18Å; R98-A101 PolarHBondContact O-N 2.92Å; A101-R105 VanDerWaalsContact O-CB 3.28Å; A101-R105 WeakPolarHBondContact O-CB 3.34Å; A101-R105 PolarHBondContact O-N 2.91Å; A101-R105 PolarHBondContact O-NE 2.74Å
102K76.8Confident71.9Confident127 Ų127105.4 Ų105.455%0.55250%0.503SS*.Hα-helixtrans-71.3-45.9171.6-172.9-174.9173.2-172.20110.4R98 E99 K100 R105 D106R98-K102 VanDerWaalsContact O-CB 3.3Å; R98-K102 WeakPolarHBondContact O-CB 3.33Å; R98-K102 PolarHBondContact O-N 2.97Å; E99-K102 PolarHBondContact O-N 3.48Å; K100-K102 VanDerWaalsContact C-N 3.28Å; K100-K102 PolarHBondContact O-N 3.35Å; K102-R105 CarbonylContact O-C 3.47Å; K102-R105 WeakPolarHBondContact O-CA 3.44Å; K102-R105 WeakPolarHBondContact O-CB 3.28Å; K102-R105 PolarHBondContact O-N 3.45Å; K102-R105 VanDerWaalsContact O-N 3.1Å; K102-D106 PolarHBondContact O-N 3.17Å
103R74.1Confident69.7Low168 Ų168109.2 Ų109.263%0.63452%0.519SS*.Hα-helixtrans-65-40.9177.8-170.6171.8-176.1160.75112.1E99 K100 R105 D106 E107E99-R103 WeakPolarHBondContact O-CB 3.44Å; E99-R103 PolarHBondContact O-N 3.45Å; K100-R103 CarbonylContact O-C 3.6Å; K100-R103 PolarHBondContact O-N 3.09Å; R103-R105 VanDerWaalsContact C-N 3.3Å; R103-D106 PolarHBondContact O-N 2.68Å; R103-E107 IonicContact NE-OE1 3.46Å; R103-E107 WeakPolarHBondContact O-CB 3.28Å; R103-E107 WeakPolarHBondContact O-CG 3.43Å; R103-E107 PolarHBondContact O-N 2.89Å
104E73Confident67.6Low89 Ų89107 Ų10742%0.41652%0.515SS..Hα-helixtrans-65.2-33.1171.2-73.6170.8171.100111.2K100 A108K100-E104 WeakPolarHBondContact CE-OE1 3.43Å; K100-E104 HydrophobicContact CG-CG 4.32Å; K100-E104 IonicContact NZ-OE1 3.05Å; K100-E104 PolarHBondContact NZ-OE1 3.19Å; K100-E104 VanDerWaalsContact O-CB 3.28Å; K100-E104 WeakPolarHBondContact O-CB 3.47Å; K100-E104 VanDerWaalsContact O-CG 3.25Å; K100-E104 WeakPolarHBondContact O-CG 3.47Å; K100-E104 PolarHBondContact O-N 3.29Å; E104-A108 WeakPolarHBondContact O-CA 3.11Å; E104-A108 WeakPolarHBondContact O-CB 3.47Å; E104-A108 PolarHBondContact O-N 3.14Å
105R65.6Low65.5Low168 Ų168110.9 Ų110.963%0.63454%0.537SS*.Hα-helixtrans-72.4-39.2170.9-99.3-178.3-93.1168-13.2113.1A101 K102 R103 E107 A108 E109A101-R105 VanDerWaalsContact O-CB 3.28Å; A101-R105 WeakPolarHBondContact O-CB 3.34Å; A101-R105 PolarHBondContact O-N 2.91Å; A101-R105 PolarHBondContact O-NE 2.74Å; K102-R105 CarbonylContact O-C 3.47Å; K102-R105 WeakPolarHBondContact O-CA 3.44Å; K102-R105 WeakPolarHBondContact O-CB 3.28Å; K102-R105 PolarHBondContact O-N 3.45Å; K102-R105 VanDerWaalsContact O-N 3.1Å; R103-R105 VanDerWaalsContact C-N 3.3Å; R105-E107 VanDerWaalsContact C-N 3.3Å; R105-A108 CarbonylContact O-C 3.58Å; R105-A108 PolarHBondContact O-N 3.2Å; R105-E109 VanDerWaalsContact O-CB 3.25Å; R105-E109 WeakPolarHBondContact O-CB 3.2Å; R105-E109 WeakPolarHBondContact O-CG 3.24Å; R105-E109 PolarHBondContact O-N 3.4Å
106D65.1Low63.4Low83 Ų83116.7 Ų116.744%0.44456%0.564SS.*Hα-helixtrans-69.1-34.3175.2-63.8-37.3000109.7K102 R103 S110K102-D106 PolarHBondContact O-N 3.17Å; R103-D106 PolarHBondContact O-N 2.68Å; D106-S110 WeakPolarHBondContact O-CB 3.5Å; D106-S110 PolarHBondContact O-N 3.09Å; D106-S110 VanDerWaalsContact O-N 3.09Å; D106-S110 PolarHBondContact O-OG 2.95Å
107E59.6Low61.3Low91 Ų91119.8 Ų119.843%0.42558%0.578SS.*Hα-helixtrans-73.1-34.8172.3-74.6170.6-173.500111.8R103 R105 S110 Q111R103-E107 IonicContact NE-OE1 3.46Å; R103-E107 WeakPolarHBondContact O-CB 3.28Å; R103-E107 WeakPolarHBondContact O-CG 3.43Å; R103-E107 PolarHBondContact O-N 2.89Å; R105-E107 VanDerWaalsContact C-N 3.3Å; E107-S110 VanDerWaalsContact CA-OG 3.25Å; E107-S110 WeakPolarHBondContact CA-OG 3.41Å; E107-S110 CarbonylContact O-C 3.48Å; E107-S110 PolarHBondContact O-OG 3.01Å; E107-S110 VanDerWaalsContact O-OG 3.07Å; E107-Q111 VanDerWaalsContact O-CB 3.25Å; E107-Q111 WeakPolarHBondContact O-CB 3.29Å; E107-Q111 WeakPolarHBondContact O-CG 3.44Å; E107-Q111 PolarHBondContact O-N 3.46Å; E107-Q111 VanDerWaalsContact O-N 3.11Å
108A57.1Low59.3Low33 Ų33124.9 Ų124.927%0.27359%0.592SS.*Hα-helixtrans-78.9-36.5174.500000112.6E104 R105 S110 Q111 E112E104-A108 WeakPolarHBondContact O-CA 3.11Å; E104-A108 WeakPolarHBondContact O-CB 3.47Å; E104-A108 PolarHBondContact O-N 3.14Å; R105-A108 CarbonylContact O-C 3.58Å; R105-A108 PolarHBondContact O-N 3.2Å; A108-S110 PolarHBondContact O-N 2.95Å; A108-Q111 CarbonylContact O-C 3.48Å; A108-Q111 WeakPolarHBondContact O-CA 3.43Å; A108-Q111 PolarHBondContact O-N 3.45Å; A108-E112 WeakPolarHBondContact O-CB 3.42Å; A108-E112 PolarHBondContact O-N 3.17Å
109E52.9Low57.8Low153 Ų153121.2 Ų121.272%0.71559%0.586SS**Hα-helixtrans-69.5-19.6170.1-83.1-178.2145.600111.7R105R105-E109 VanDerWaalsContact O-CB 3.25Å; R105-E109 WeakPolarHBondContact O-CB 3.2Å; R105-E109 WeakPolarHBondContact O-CG 3.24Å; R105-E109 PolarHBondContact O-N 3.4Å
110S51.2Low56.5Low93 Ų93123 Ų12365%0.6560%0.604SS**THydrogen-bonded Turntrans-90.4-2.316651.50000113.8D106 E107 A108D106-S110 WeakPolarHBondContact O-CB 3.5Å; D106-S110 PolarHBondContact O-N 3.09Å; D106-S110 VanDerWaalsContact O-N 3.09Å; D106-S110 PolarHBondContact O-OG 2.95Å; E107-S110 VanDerWaalsContact CA-OG 3.25Å; E107-S110 WeakPolarHBondContact CA-OG 3.41Å; E107-S110 CarbonylContact O-C 3.48Å; E107-S110 PolarHBondContact O-OG 3.01Å; E107-S110 VanDerWaalsContact O-OG 3.07Å; A108-S110 PolarHBondContact O-N 2.95Å
111Q49.3Very low55.6Low165 Ų165118.8 Ų118.877%0.77159%0.587SS**THydrogen-bonded Turntrans-122.5-8.7178.3-72.6-177.3-0.700115.4E107 A108E107-Q111 VanDerWaalsContact O-CB 3.25Å; E107-Q111 WeakPolarHBondContact O-CB 3.29Å; E107-Q111 WeakPolarHBondContact O-CG 3.44Å; E107-Q111 PolarHBondContact O-N 3.46Å; E107-Q111 VanDerWaalsContact O-N 3.11Å; A108-Q111 CarbonylContact O-C 3.48Å; A108-Q111 WeakPolarHBondContact O-CA 3.43Å; A108-Q111 PolarHBondContact O-N 3.45Å
112E41.9Very low55.3Low147 Ų147120 Ų12069%0.68759%0.592SS**SBendtrans-129.183175-60.3-176161.300105.9A108A108-E112 WeakPolarHBondContact O-CB 3.42Å; A108-E112 PolarHBondContact O-N 3.17Å
113E41.7Very low55.5Low157 Ų157118.1 Ų118.173%0.73459%0.593SS**SBend-164.3152.264.8-80.8-80.4113.700110.5
114P43.3Very low56Low75 Ų75111.7 Ų111.749%0.48757%0.573SS.*  cis-120.1145.817.616.96.8000114.4E116 E117P114-E116 HydrophobicContact CB-CB 4.21Å; P114-E116 WeakPolarHBondContact CG-O 3.26Å; P114-E116 CarbonylContact O-C 3.55Å; P114-E116 PolarHBondContact O-N 3.42Å; P114-E117 PolarHBondContact O-N 2.97Å
115M44.7Very low56.8Low183 Ų183108 Ų10890%0.90156%0.555SS**SBendtrans-65.365.1143.6-171.316165.200109.2
116E42Very low57.9Low151 Ų151100 Ų10071%0.70653%0.525SS*.SBendtrans-176.974.4164.3-95.2-170.8-172.100100.6P114 Q118P114-E116 HydrophobicContact CB-CB 4.21Å; P114-E116 WeakPolarHBondContact CG-O 3.26Å; P114-E116 CarbonylContact O-C 3.55Å; P114-E116 PolarHBondContact O-N 3.42Å; E116-Q118 PolarHBondContact O-N 3.32Å
117E42.2Very low59.1Low166 Ų166101.3 Ų101.378%0.77652%0.524SS*.  trans-6187.2165.3-85.7179.5125.800106.4P114 V119P114-E117 PolarHBondContact O-N 2.97Å; E117-V119 HydrophobicContact CB-CG2 4.38Å; E117-V119 PolarHBondContact O-N 2.9Å
118Q43.5Very low60.7Low167 Ų16797 Ų9778%0.7850%0.504SS*.  trans-54.992.5136.3-69.6-165.79.100103.6E116 T120E116-Q118 PolarHBondContact O-N 3.32Å; Q118-T120 VanDerWaalsContact C-N 3.31Å; Q118-T120 PolarHBondContact O-N 3.24Å; Q118-T120 PolarHBondContact O-OG1 3.04Å
119V48.4Very low62.3Low69 Ų6999.6 Ų99.642%0.41851%0.513SS..  trans-52105.7177-170.20000104.4E117 L121E117-V119 HydrophobicContact CB-CG2 4.38Å; E117-V119 PolarHBondContact O-N 2.9Å; V119-L121 HydrophobicContact CB-CD1 4.45Å; V119-L121 HydrophobicContact CB-CD2 4.05Å; V119-L121 HydrophobicContact CB-CG 3.82Å; V119-L121 HydrophobicContact CG1-CD2 3.25Å; V119-L121 HydrophobicContact CG1-CG 3.49Å; V119-L121 VanDerWaalsContact CG1-CG 3.49Å; V119-L121 PolarHBondContact O-N 3.35Å
120T54.2Low64Low140 Ų14094.3 Ų94.386%0.85950%0.495SS*.  trans-71.573.9170.5-34.80000104.7Q118Q118-T120 VanDerWaalsContact C-N 3.31Å; Q118-T120 PolarHBondContact O-N 3.24Å; Q118-T120 PolarHBondContact O-OG1 3.04Å
121L63.5Low65.9Low38 Ų3891.5 Ų91.520%0.19947%0.474CS..PPolyproline II helixtrans-60.2125.6-179.5-69.6162.7000105.3V119 I182 G185 K187V119-L121 HydrophobicContact CB-CD1 4.45Å; V119-L121 HydrophobicContact CB-CD2 4.05Å; V119-L121 HydrophobicContact CB-CG 3.82Å; V119-L121 HydrophobicContact CG1-CD2 3.25Å; V119-L121 HydrophobicContact CG1-CG 3.49Å; V119-L121 VanDerWaalsContact CG1-CG 3.49Å; V119-L121 PolarHBondContact O-N 3.35Å; L121-I182 HydrophobicContact CB-CD1 3.67Å; L121-I182 HydrophobicContact CB-CG1 4.24Å; L121-I182 HydrophobicContact CD1-CB 4.43Å; L121-I182 HydrophobicContact CD1-CD1 3.93Å; L121-I182 HydrophobicContact CD1-CG1 3.98Å; L121-I182 HydrophobicContact CD1-CG2 3.63Å; L121-I182 HydrophobicContact CD2-CD1 4.44Å; L121-I182 HydrophobicContact CD2-CG1 4.08Å; L121-I182 HydrophobicContact CG-CD1 4.22Å; L121-I182 HydrophobicContact CG-CG1 4.33Å; L121-G185 WeakPolarHBondContact CD1-O 3.48Å; L121-K187 HydrophobicContact CD2-CB 3.7Å
122P71Confident67.9Low57 Ų5787 Ų8737%0.3746%0.459SS..PPolyproline II helixtrans-53.3143.8175.319.9-29.9000109I149P122-I149 HydrophobicContact CG-CB 4.1Å; P122-I149 HydrophobicContact CG-CD1 4Å; P122-I149 HydrophobicContact CG-CG2 4.26Å; P122-I149 VanDerWaalsContact O-CG2 3.24Å; P122-I149 WeakPolarHBondContact O-CG2 3.4Å
123P80.8Confident70.1Confident88 Ų8890.2 Ų90.257%0.57147%0.466SS*.PPolyproline II helixtrans-58.7127.8-17411.4-17.1000109.3F125 T156P123-F125 PolarHBondContact O-N 3.14Å; P123-T156 HydrophobicContact CG-CG2 4.03Å; P123-T156 VanDerWaalsContact O-CG2 3.27Å; P123-T156 WeakPolarHBondContact O-CG2 3.45Å; P123-T156 PolarHBondContact O-OG1 3.39Å
124P86.2Confident72.2Confident33 Ų3385.4 Ų85.421%0.21446%0.458CS..PPolyproline II helixtrans-67136.817727-32.4000109.3E147 V148 I149 I182 V210P124-E147 HydrophobicContact CB-CB 3.52Å; P124-E147 HydrophobicContact CB-CG 4.49Å; P124-E147 HydrophobicContact CG-CB 3.89Å; P124-E147 HydrophobicContact CG-CG 4.42Å; P124-V148 WeakPolarHBondContact CA-O 3.48Å; P124-I149 HydrophobicContact CB-CG2 4.18Å; P124-I182 HydrophobicContact CB-CD1 4.39Å; P124-I182 HydrophobicContact CG-CD1 4.32Å; P124-V210 HydrophobicContact CB-CG2 4.4Å; P124-V210 WeakPolarHBondContact O-CG2 3.25Å
125F88.2Confident74.4Confident11 Ų1182 Ų825%0.04844%0.436CS..SBendtrans-98-18.6179.663.9-102.4000112.2P123 V148 I149 F151 V154 F159 I165 P209 V210P123-F125 PolarHBondContact O-N 3.14Å; F125-V148 HydrophobicContact CE1-CG1 4.27Å; F125-V148 HydrophobicContact CE2-CG1 4.27Å; F125-V148 HydrophobicContact CZ-CB 4.44Å; F125-V148 HydrophobicContact CZ-CG1 3.75Å; F125-V148 PolarHBondContact N-O 3.23Å; F125-I149 VanDerWaalsContact CE1-C 3.48Å; F125-I149 WeakPolarHBondContact CE1-O 3.25Å; F125-F151 HydrophobicContact CZ-CB 4.21Å; F125-V154 HydrophobicContact CZ-CG1 4.29Å; F125-F159 HydrophobicContact CB-CB 4.09Å; F125-F159 HydrophobicContact CB-CD1 3.62Å; F125-F159 HydrophobicContact CB-CE1 4.19Å; F125-F159 HydrophobicContact CB-CG 3.87Å; F125-F159 HydrophobicContact CD1-CB 4.32Å; F125-F159 HydrophobicContact CD2-CB 3.94Å; F125-F159 AromaticContact CD2-CD1 3.67Å; F125-F159 HydrophobicContact CD2-CD1 3.67Å; F125-F159 AromaticContact CD2-CD2 3.27Å; F125-F159 HydrophobicContact CD2-CD2 3.27Å; F125-F159 AromaticContact CD2-CE1 3.91Å; F125-F159 HydrophobicContact CD2-CE1 3.91Å; F125-F159 AromaticContact CD2-CE2 3.58Å; F125-F159 HydrophobicContact CD2-CE2 3.58Å; F125-F159 AromaticContact CD2-CG 3.31Å; F125-F159 HydrophobicContact CD2-CG 3.31Å; F125-F159 AromaticContact CD2-CZ 3.87Å; F125-F159 HydrophobicContact CD2-CZ 3.87Å; F125-F159 HydrophobicContact CE2-CB 4.46Å; F125-F159 AromaticContact CE2-CD2 3.48Å; F125-F159 HydrophobicContact CE2-CD2 3.48Å; F125-F159 VanDerWaalsContact CE2-CD2 3.48Å; F125-F159 AromaticContact CE2-CE2 3.8Å; F125-F159 HydrophobicContact CE2-CE2 3.8Å; F125-F159 AromaticContact CE2-CG 3.95Å; F125-F159 HydrophobicContact CE2-CG 3.95Å; F125-F159 HydrophobicContact CE2-CZ 4.48Å; F125-F159 HydrophobicContact CG-CB 3.86Å; F125-F159 AromaticContact CG-CD1 3.92Å; F125-F159 HydrophobicContact CG-CD1 3.92Å; F125-F159 HydrophobicContact CG-CD2 4.09Å; F125-F159 HydrophobicContact CG-CE1 4.48Å; F125-F159 AromaticContact CG-CG 3.67Å; F125-F159 HydrophobicContact CG-CG 3.67Å; F125-F159 HydrophobicContact CZ-CD2 4.4Å; F125-I165 HydrophobicContact CE2-CD1 3.97Å; F125-P209 WeakPolarHBondContact O-CA 3.5Å; F125-V210 VanDerWaalsContact C-CG2 3.45Å; F125-V210 PolarHBondContact O-N 3.37Å; F125-V210 VanDerWaalsContact O-N 3.12Å
126A88.9Confident76.6Confident0 Ų073.7 Ų73.70%040%0.396CS..EExtended strand (participates in β ladder)trans-145.4159.2178.400000112.1E147 V148 I207 V208A126-E147 CarbonylContact O-C 3.45Å; A126-V148 HydrophobicContact CB-CB 4.35Å; A126-V148 PolarHBondContact O-N 2.87Å; A126-I207 HydrophobicContact CB-CG2 3.49Å; A126-I207 VanDerWaalsContact CB-CG2 3.49Å; A126-V208 CarbonylContact C-O 3.35Å; A126-V208 VanDerWaalsContact CA-O 3.28Å; A126-V208 WeakPolarHBondContact CA-O 3.42Å
127R91.4Very high78.9Confident111 Ų11166.5 Ų66.542%0.41936%0.363SS..EExtended strand (participates in β ladder)trans-129.6144.8176-175.7172.664.3-146-1110.6D146 E147 V208 V210R127-D146 WeakPolarHBondContact CA-O 3.35Å; R127-E147 HydrophobicContact CG-CG 4.45Å; R127-V208 HydrophobicContact CB-CG2 4.41Å; R127-V208 PolarHBondContact N-O 2.65Å; R127-V208 WeakPolarHBondContact O-CG2 3.48Å; R127-V208 PolarHBondContact O-N 2.81Å; R127-V210 HydrophobicContact CB-CG1 3.89Å
128V91.8Very high81.2Confident1 Ų160.4 Ų60.41%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-83.6116.7176.8-175.60000109.7V131 L142 K143 G145 D146 V148V128-V131 HydrophobicContact CG1-CG2 3.42Å; V128-V131 VanDerWaalsContact CG1-CG2 3.42Å; V128-L142 HydrophobicContact CG1-CD2 4.02Å; V128-L142 HydrophobicContact CG2-CD1 4.31Å; V128-L142 HydrophobicContact CG2-CD2 3.72Å; V128-L142 HydrophobicContact CG2-CG 4.01Å; V128-K143 WeakPolarHBondContact CB-O 3.32Å; V128-K143 WeakPolarHBondContact CG1-O 3.48Å; V128-G145 PolarHBondContact O-N 3.29Å; V128-D146 HydrophobicContact CB-CB 4.42Å; V128-D146 HydrophobicContact CG2-CB 4.07Å; V128-D146 PolarHBondContact N-O 2.87Å; V128-V148 HydrophobicContact CG2-CG2 4.16Å
129D90.8Very high83.3Confident86 Ų8655.9 Ų55.946%0.4634%0.337SS..EExtended strand (participates in β ladder)trans-92.9-37.3-177.5178.174.5000112.3V144 N206 V208D129-V144 VanDerWaalsContact O-CG1 3.22Å; D129-V144 WeakPolarHBondContact O-CG1 3.32Å; D129-N206 HydrophobicContact CB-CB 4.35Å; D129-N206 PolarHBondContact N-O 3.15Å; D129-N206 PolarHBondContact OD2-ND2 3.31Å; D129-V208 HydrophobicContact CB-CG1 4.19Å; D129-V208 HydrophobicContact CB-CG2 4.25Å
130A89.6Confident85.2Confident42 Ų4253.7 Ų53.735%0.34733%0.325SS..EExtended strand (participates in β ladder)trans-147.7144.2178.200000111.1C205 N206A130-C205 CarbonylContact O-C 3.55Å; A130-C205 WeakPolarHBondContact O-CA 3.34Å; A130-N206 HydrophobicContact CB-CB 4Å; A130-N206 PolarHBondContact O-N 3.36Å
131V91.3Very high86.9Confident34 Ų3448.6 Ų48.621%0.20630%0.301CS..EExtended strand (participates in β ladder)trans-130.7125.6172.4-176.90000108.5V128 A137 L142 V144 C205V128-V131 HydrophobicContact CG1-CG2 3.42Å; V128-V131 VanDerWaalsContact CG1-CG2 3.42Å; V131-A137 HydrophobicContact CG1-CB 4.25Å; V131-L142 HydrophobicContact CG2-CD2 4.35Å; V131-V144 HydrophobicContact CB-CG2 4.38Å; V131-V144 HydrophobicContact CG2-CG2 4.19Å; V131-C205 HydrophobicContact CG2-CB 4.2Å
132T90.2Very high88.2Confident72 Ų7247.1 Ų47.144%0.44229%0.293SS..  trans-82.5133.9178-54.70000110.5S135 S138 W197 G204T132-S135 WeakPolarHBondContact O-CB 3.49Å; T132-S135 PolarHBondContact O-N 3.19Å; T132-S135 PolarHBondContact O-OG 3Å; T132-S138 WeakPolarHBondContact O-CB 3.5Å; T132-W197 VanDerWaalsContact CB-CH2 3.45Å; T132-W197 HydrophobicContact CG2-CH2 3.52Å; T132-W197 HydrophobicContact CG2-CZ3 3.62Å; T132-G204 PolarHBondContact N-O 3.33Å; T132-G204 PolarHBondContact OG1-O 3.48Å
133Y88.6Confident89.2Confident213 Ų21350.1 Ų50.184%0.83530%0.3SS*.THydrogen-bonded Turntrans-62.7137.7177.2-172.3-97.6000111.7S135Y133-S135 PolarHBondContact O-N 2.96Å
134G86Confident89.7Confident56 Ų5650.3 Ų50.358%0.57730%0.3SS*.THydrogen-bonded Turntrans74.68.7-176.600000114.5
135S89.9Confident89.8Confident4 Ų450.8 Ų50.83%0.02831%0.31CS..SBendtrans-81.9161.7171.269.60000112.6T132 Y133 A137 S138 G139 L203T132-S135 WeakPolarHBondContact O-CB 3.49Å; T132-S135 PolarHBondContact O-N 3.19Å; T132-S135 PolarHBondContact O-OG 3Å; Y133-S135 PolarHBondContact O-N 2.96Å; S135-A137 PolarHBondContact O-N 3.18Å; S135-S138 WeakPolarHBondContact O-CB 3.22Å; S135-S138 PolarHBondContact O-N 3.5Å; S135-S138 VanDerWaalsContact O-N 3.08Å; S135-S138 PolarHBondContact OG-N 3.39Å; S135-G139 PolarHBondContact O-N 3.43Å; S135-L203 WeakPolarHBondContact CB-O 3.19Å; S135-L203 PolarHBondContact OG-O 3.01Å
136P90.9Very high90Very high9 Ų950.4 Ų50.46%0.05831%0.309CS..Hα-helixtrans-56.9-35.6174.1-27.436.8000113.9G139 A140 T193 Q195 W197 L203P136-G139 PolarHBondContact O-N 3.2Å; P136-A140 WeakPolarHBondContact O-CB 3.39Å; P136-A140 PolarHBondContact O-N 3.29Å; P136-T193 WeakPolarHBondContact CB-O 3.34Å; P136-Q195 HydrophobicContact CB-CG 4.02Å; P136-Q195 HydrophobicContact CG-CG 3.38Å; P136-W197 HydrophobicContact CG-CB 4.32Å; P136-W197 HydrophobicContact CG-CG 4.22Å; P136-L203 WeakPolarHBondContact CD-O 3.36Å
137A90.2Very high90.1Very high0 Ų053.4 Ų53.40%032%0.323CS..Hα-helixtrans-66.1-41.2174.300000112.2V131 S135 A140 G141 L142 L192 L203 C205V131-A137 HydrophobicContact CG1-CB 4.25Å; S135-A137 PolarHBondContact O-N 3.18Å; A137-A140 PolarHBondContact O-N 2.86Å; A137-G141 PolarHBondContact O-N 3.29Å; A137-L142 HydrophobicContact CB-CB 4.26Å; A137-L142 HydrophobicContact CB-CD2 4Å; A137-L142 WeakPolarHBondContact O-CB 3.49Å; A137-L142 PolarHBondContact O-N 2.95Å; A137-L192 HydrophobicContact CB-CD1 4.2Å; A137-L203 VanDerWaalsContact CB-O 3.26Å; A137-L203 WeakPolarHBondContact CB-O 3.43Å; A137-L203 PolarHBondContact N-O 2.85Å; A137-C205 HydrophobicContact CB-CB 3.81Å
138S90.3Very high90Very high38 Ų3848.2 Ų48.227%0.26630%0.303SS..Hα-helixtrans-65.2-41.6175-1800000111.8T132 S135 A140 G141T132-S138 WeakPolarHBondContact O-CB 3.5Å; S135-S138 WeakPolarHBondContact O-CB 3.22Å; S135-S138 PolarHBondContact O-N 3.5Å; S135-S138 VanDerWaalsContact O-N 3.08Å; S135-S138 PolarHBondContact OG-N 3.39Å; S138-A140 VanDerWaalsContact C-N 3.29Å; S138-A140 PolarHBondContact O-N 3.31Å; S138-G141 PolarHBondContact O-N 3.48Å; S138-G141 VanDerWaalsContact O-N 3.11Å
139G88.2Confident89.9Confident72 Ų7248.5 Ų48.574%0.74231%0.305SS*.Hα-helixtrans-65.8-30.4176.100000113.5S135 P136 G141S135-G139 PolarHBondContact O-N 3.43Å; P136-G139 PolarHBondContact O-N 3.2Å; G139-G141 PolarHBondContact O-N 2.93Å
140A88.3Confident89.8Confident22 Ų2247.5 Ų47.518%0.18230%0.297CS..THydrogen-bonded Turntrans-74.6-10.5173.500000113.6P136 A137 S138 S191 L192P136-A140 WeakPolarHBondContact O-CB 3.39Å; P136-A140 PolarHBondContact O-N 3.29Å; A137-A140 PolarHBondContact O-N 2.86Å; S138-A140 VanDerWaalsContact C-N 3.29Å; S138-A140 PolarHBondContact O-N 3.31Å; A140-S191 WeakPolarHBondContact CB-O 3.2Å; A140-L192 HydrophobicContact CB-CB 3.83Å; A140-L192 HydrophobicContact CB-CD1 4.46Å; A140-L192 HydrophobicContact CB-CG 4.21Å
141G89.1Confident89.7Confident33 Ų3345.6 Ų45.634%0.3428%0.281SS..THydrogen-bonded Turntrans87.717.7-179.400000114.8A137 S138 G139 R183A137-G141 PolarHBondContact O-N 3.29Å; S138-G141 PolarHBondContact O-N 3.48Å; S138-G141 VanDerWaalsContact O-N 3.11Å; G139-G141 PolarHBondContact O-N 2.93Å; G141-R183 PolarHBondContact O-NH2 2.84Å
142L90.9Very high89.5Confident8 Ų845 Ų454%0.04228%0.282CS..  trans-70.7136.7173.2-156.281.4000109.9V128 V131 A137 V181 M190 C205V128-L142 HydrophobicContact CG1-CD2 4.02Å; V128-L142 HydrophobicContact CG2-CD1 4.31Å; V128-L142 HydrophobicContact CG2-CD2 3.72Å; V128-L142 HydrophobicContact CG2-CG 4.01Å; V131-L142 HydrophobicContact CG2-CD2 4.35Å; A137-L142 HydrophobicContact CB-CB 4.26Å; A137-L142 HydrophobicContact CB-CD2 4Å; A137-L142 WeakPolarHBondContact O-CB 3.49Å; A137-L142 PolarHBondContact O-N 2.95Å; L142-V181 HydrophobicContact CD1-CG1 4.05Å; L142-M190 HydrophobicContact CB-SD 4.13Å; L142-M190 HydrophobicContact CD1-CE 4.31Å; L142-M190 HydrophobicContact CD1-SD 3.63Å; L142-C205 HydrophobicContact CD2-CB 4Å
143K91.3Very high89.2Confident120 Ų12046.2 Ų46.252%0.52229%0.294SS..  trans-123.1157.6179.6-66.5-175.6-173-179.90111.2V128 D146V128-K143 WeakPolarHBondContact CB-O 3.32Å; V128-K143 WeakPolarHBondContact CG1-O 3.48Å; K143-D146 PolarHBondContact N-OD2 2.85Å; K143-D146 WeakPolarHBondContact O-CB 3.42Å; K143-D146 VanDerWaalsContact O-CG 3.31Å; K143-D146 PolarHBondContact O-N 3.38Å
144V92.1Very high89Confident92 Ų9236.3 Ų36.356%0.55826%0.255SS*.THydrogen-bonded Turntrans-64134.5171.11780000109.1D129 V131D129-V144 VanDerWaalsContact O-CG1 3.22Å; D129-V144 WeakPolarHBondContact O-CG1 3.32Å; V131-V144 HydrophobicContact CB-CG2 4.38Å; V131-V144 HydrophobicContact CG2-CG2 4.19Å
145G88.6Confident88.9Confident42 Ų4236.6 Ų36.643%0.43324%0.243SC..THydrogen-bonded Turntrans93.5-9.3-176.800000114.7V128 E147V128-G145 PolarHBondContact O-N 3.29Å; G145-E147 PolarHBondContact O-N 2.78Å
146D91.4Very high88.3Confident3 Ų338.4 Ų38.42%0.01625%0.254CS..PPolyproline II helixtrans-63.4131.6175.3-73.9-12.2000110.6R127 V128 K143 V181 R183R127-D146 WeakPolarHBondContact CA-O 3.35Å; V128-D146 HydrophobicContact CB-CB 4.42Å; V128-D146 HydrophobicContact CG2-CB 4.07Å; V128-D146 PolarHBondContact N-O 2.87Å; K143-D146 PolarHBondContact N-OD2 2.85Å; K143-D146 WeakPolarHBondContact O-CB 3.42Å; K143-D146 VanDerWaalsContact O-CG 3.31Å; K143-D146 PolarHBondContact O-N 3.38Å; D146-V181 HydrophobicContact CB-CB 4.05Å; D146-V181 HydrophobicContact CB-CG1 4.3Å; D146-V181 HydrophobicContact CB-CG2 4.12Å; D146-R183 IonicContact OD1-CZ 3.49Å; D146-R183 IonicContact OD1-NE 2.79Å; D146-R183 PolarHBondContact OD1-NE 3.43Å; D146-R183 IonicContact OD1-NH2 3.33Å; D146-R183 PolarHBondContact OD1-NH2 3.41Å; D146-R183 IonicContact OD2-CZ 3.62Å; D146-R183 IonicContact OD2-NE 3.71Å; D146-R183 IonicContact OD2-NH2 2.71Å; D146-R183 PolarHBondContact OD2-NH2 3.18Å
147E90.8Very high87.7Confident63 Ų6345.3 Ų45.329%0.29429%0.291SS..EExtended strand (participates in β ladder)trans-98.2117.8176.5-55.2-175.5104.500110.1P124 A126 R127 G145 V181 I182P124-E147 HydrophobicContact CB-CB 3.52Å; P124-E147 HydrophobicContact CB-CG 4.49Å; P124-E147 HydrophobicContact CG-CB 3.89Å; P124-E147 HydrophobicContact CG-CG 4.42Å; A126-E147 CarbonylContact O-C 3.45Å; R127-E147 HydrophobicContact CG-CG 4.45Å; G145-E147 PolarHBondContact O-N 2.78Å; E147-V181 CarbonylContact O-C 3.5Å; E147-V181 WeakPolarHBondContact O-CA 3.34Å; E147-V181 WeakPolarHBondContact O-CB 3.38Å; E147-I182 HydrophobicContact CB-CB 4.2Å; E147-I182 PolarHBondContact N-O 3Å; E147-I182 PolarHBondContact O-N 3.27Å
148V89.8Confident87.2Confident2 Ų249.5 Ų49.51%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-83.3125.8-173.5-172.70000110.4P124 F125 A126 V128 F151 V179 V181P124-V148 WeakPolarHBondContact CA-O 3.48Å; F125-V148 HydrophobicContact CE1-CG1 4.27Å; F125-V148 HydrophobicContact CE2-CG1 4.27Å; F125-V148 HydrophobicContact CZ-CB 4.44Å; F125-V148 HydrophobicContact CZ-CG1 3.75Å; F125-V148 PolarHBondContact N-O 3.23Å; A126-V148 HydrophobicContact CB-CB 4.35Å; A126-V148 PolarHBondContact O-N 2.87Å; V128-V148 HydrophobicContact CG2-CG2 4.16Å; V148-F151 HydrophobicContact CG1-CB 4.18Å; V148-F151 HydrophobicContact CG1-CD2 4.35Å; V148-V179 HydrophobicContact CG1-CG1 4.46Å; V148-V181 HydrophobicContact CG2-CG1 4.12Å
149I89.7Confident86.7Confident8 Ų849.6 Ų49.64%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-109.7-24.4176.455.9166000112.6P122 P124 F125 A180 I182 K187P122-I149 HydrophobicContact CG-CB 4.1Å; P122-I149 HydrophobicContact CG-CD1 4Å; P122-I149 HydrophobicContact CG-CG2 4.26Å; P122-I149 VanDerWaalsContact O-CG2 3.24Å; P122-I149 WeakPolarHBondContact O-CG2 3.4Å; P124-I149 HydrophobicContact CB-CG2 4.18Å; F125-I149 VanDerWaalsContact CE1-C 3.48Å; F125-I149 WeakPolarHBondContact CE1-O 3.25Å; I149-A180 HydrophobicContact CD1-CB 3.86Å; I149-A180 VanDerWaalsContact CG1-C 3.49Å; I149-A180 HydrophobicContact CG1-CB 3.73Å; I149-A180 WeakPolarHBondContact CG1-O 3.33Å; I149-A180 PolarHBondContact N-O 3.32Å; I149-I182 HydrophobicContact CG2-CD1 3.55Å; I149-I182 HydrophobicContact CG2-CG1 3.75Å; I149-K187 HydrophobicContact CD1-CD 3.95Å; I149-K187 HydrophobicContact CD1-CG 3.96Å
150E88.7Confident86.2Confident65 Ų6553.8 Ų53.830%0.30431%0.309SS..EExtended strand (participates in β ladder)trans-149.6135.2177.6-170.8-178.510000109.7V179 A180E150-V179 WeakPolarHBondContact O-CA 3.47Å; E150-V179 WeakPolarHBondContact O-CG1 3.48Å; E150-A180 HydrophobicContact CB-CB 3.94Å; E150-A180 PolarHBondContact N-O 3.39Å; E150-A180 VanDerWaalsContact N-O 3.16Å; E150-A180 PolarHBondContact O-N 3.37Å
151F88.4Confident85.9Confident2 Ų256.7 Ų56.71%0.00932%0.322CS..EExtended strand (participates in β ladder)trans-137.694.3176.7-161.5-74.5000110.1F125 V148 S153 V154 I165 V169 L177 V179 L192 L203 I207F125-F151 HydrophobicContact CZ-CB 4.21Å; V148-F151 HydrophobicContact CG1-CB 4.18Å; V148-F151 HydrophobicContact CG1-CD2 4.35Å; F151-S153 PolarHBondContact O-N 3.04Å; F151-S153 VanDerWaalsContact O-N 3.16Å; F151-V154 PolarHBondContact N-O 3.49Å; F151-V154 WeakPolarHBondContact O-CB 3.24Å; F151-V154 PolarHBondContact O-N 3.44Å; F151-I165 HydrophobicContact CD1-CG2 3.77Å; F151-I165 HydrophobicContact CD2-CG2 4.33Å; F151-I165 HydrophobicContact CE1-CG2 3.8Å; F151-I165 HydrophobicContact CE2-CG2 4.34Å; F151-I165 HydrophobicContact CG-CG2 4.05Å; F151-I165 HydrophobicContact CZ-CG2 4.09Å; F151-V169 HydrophobicContact CE1-CG2 3.48Å; F151-V169 VanDerWaalsContact CE1-CG2 3.48Å; F151-V169 HydrophobicContact CZ-CG2 3.83Å; F151-L177 HydrophobicContact CE1-CD1 3.97Å; F151-V179 HydrophobicContact CD2-CB 4.47Å; F151-V179 HydrophobicContact CD2-CG1 3.84Å; F151-V179 HydrophobicContact CD2-CG2 3.77Å; F151-V179 HydrophobicContact CE2-CG1 4.28Å; F151-V179 HydrophobicContact CE2-CG2 3.77Å; F151-V179 HydrophobicContact CG-CG2 4.23Å; F151-V179 HydrophobicContact CZ-CG2 4.22Å; F151-L192 HydrophobicContact CE2-CD1 4.38Å; F151-L192 HydrophobicContact CZ-CD1 4.46Å; F151-L192 HydrophobicContact CZ-CD2 4Å; F151-L203 HydrophobicContact CE2-CD1 4.45Å; F151-L203 HydrophobicContact CZ-CD1 3.79Å; F151-I207 HydrophobicContact CE2-CD1 4.43Å
152G86.6Confident85.5Confident22 Ų2257.9 Ų57.923%0.22732%0.32CS..THydrogen-bonded Turntrans58.8-115.9-17600000111V154 R178G152-V154 VanDerWaalsContact C-N 3.32Å; G152-R178 WeakPolarHBondContact CA-O 3.42Å; G152-R178 PolarHBondContact N-O 2.88Å
153S83.3Confident85.1Confident97 Ų9764.2 Ų64.268%0.67835%0.349SS*.THydrogen-bonded Turntrans-85.9-2177.1-49.60000114F151F151-S153 PolarHBondContact O-N 3.04Å; F151-S153 VanDerWaalsContact O-N 3.16Å
154V83.9Confident84.8Confident5 Ų560.7 Ų60.73%0.0334%0.336CS..EExtended strand (participates in β ladder)trans-97.3123.8179.3-171.60000109.3F125 F151 G152 F159 N164 V168F125-V154 HydrophobicContact CZ-CG1 4.29Å; F151-V154 PolarHBondContact N-O 3.49Å; F151-V154 WeakPolarHBondContact O-CB 3.24Å; F151-V154 PolarHBondContact O-N 3.44Å; G152-V154 VanDerWaalsContact C-N 3.32Å; V154-F159 HydrophobicContact CG1-CB 4.05Å; V154-F159 HydrophobicContact CG1-CD2 3.92Å; V154-N164 HydrophobicContact CG2-CB 4.24Å; V154-V168 HydrophobicContact CG2-CG2 3.8Å
155N83.6Confident84.4Confident61 Ų6156.7 Ų56.733%0.32631%0.312SS..EExtended strand (participates in β ladder)trans-124.2175.6174.2629.5000109.8N157 N158 F159N155-N157 PolarHBondContact O-N 3.04Å; N155-N157 VanDerWaalsContact O-N 3.12Å; N155-N157 PolarHBondContact OD1-N 3.44Å; N155-N158 PolarHBondContact O-N 2.95Å; N155-N158 VanDerWaalsContact O-N 3.09Å; N155-N158 VanDerWaalsContact OD1-CB 3.24Å; N155-N158 WeakPolarHBondContact OD1-CB 3.27Å; N155-N158 PolarHBondContact OD1-N 3.46Å; N155-F159 WeakPolarHBondContact O-CB 3.37Å; N155-F159 PolarHBondContact O-N 3.39Å
156T78.6Confident84.2Confident42 Ų4257.5 Ų57.526%0.25831%0.314SS..THydrogen-bonded Turntrans-55.5-30.2177.9-46.50000113.4P123P123-T156 HydrophobicContact CG-CG2 4.03Å; P123-T156 VanDerWaalsContact O-CG2 3.27Å; P123-T156 WeakPolarHBondContact O-CG2 3.45Å; P123-T156 PolarHBondContact O-OG1 3.39Å
157N77.9Confident84Confident154 Ų15459.2 Ų59.282%0.82433%0.329SS*.THydrogen-bonded Turntrans-77.1-27-179.6-63.2-24000113.6N155N155-N157 PolarHBondContact O-N 3.04Å; N155-N157 VanDerWaalsContact O-N 3.12Å; N155-N157 PolarHBondContact OD1-N 3.44Å
158N80.4Confident83.8Confident89 Ų8957.5 Ų57.548%0.47632%0.323SS..THydrogen-bonded Turntrans-111.71.7-175.4-163.113.1000112.7N155 Q160 N164N155-N158 PolarHBondContact O-N 2.95Å; N155-N158 VanDerWaalsContact O-N 3.09Å; N155-N158 VanDerWaalsContact OD1-CB 3.24Å; N155-N158 WeakPolarHBondContact OD1-CB 3.27Å; N155-N158 PolarHBondContact OD1-N 3.46Å; N158-Q160 PolarHBondContact O-N 3.24Å; N158-N164 PolarHBondContact O-ND2 3.05Å
159F79.4Confident83.6Confident39 Ų3957.9 Ų57.917%0.17133%0.325CS..  trans-78.6106.4176.4-177.7-100.9000110.2F125 V154 N155 L162 I165 P209F125-F159 HydrophobicContact CB-CB 4.09Å; F125-F159 HydrophobicContact CB-CD1 3.62Å; F125-F159 HydrophobicContact CB-CE1 4.19Å; F125-F159 HydrophobicContact CB-CG 3.87Å; F125-F159 HydrophobicContact CD1-CB 4.32Å; F125-F159 HydrophobicContact CD2-CB 3.94Å; F125-F159 AromaticContact CD2-CD1 3.67Å; F125-F159 HydrophobicContact CD2-CD1 3.67Å; F125-F159 AromaticContact CD2-CD2 3.27Å; F125-F159 HydrophobicContact CD2-CD2 3.27Å; F125-F159 AromaticContact CD2-CE1 3.91Å; F125-F159 HydrophobicContact CD2-CE1 3.91Å; F125-F159 AromaticContact CD2-CE2 3.58Å; F125-F159 HydrophobicContact CD2-CE2 3.58Å; F125-F159 AromaticContact CD2-CG 3.31Å; F125-F159 HydrophobicContact CD2-CG 3.31Å; F125-F159 AromaticContact CD2-CZ 3.87Å; F125-F159 HydrophobicContact CD2-CZ 3.87Å; F125-F159 HydrophobicContact CE2-CB 4.46Å; F125-F159 AromaticContact CE2-CD2 3.48Å; F125-F159 HydrophobicContact CE2-CD2 3.48Å; F125-F159 VanDerWaalsContact CE2-CD2 3.48Å; F125-F159 AromaticContact CE2-CE2 3.8Å; F125-F159 HydrophobicContact CE2-CE2 3.8Å; F125-F159 AromaticContact CE2-CG 3.95Å; F125-F159 HydrophobicContact CE2-CG 3.95Å; F125-F159 HydrophobicContact CE2-CZ 4.48Å; F125-F159 HydrophobicContact CG-CB 3.86Å; F125-F159 AromaticContact CG-CD1 3.92Å; F125-F159 HydrophobicContact CG-CD1 3.92Å; F125-F159 HydrophobicContact CG-CD2 4.09Å; F125-F159 HydrophobicContact CG-CE1 4.48Å; F125-F159 AromaticContact CG-CG 3.67Å; F125-F159 HydrophobicContact CG-CG 3.67Å; F125-F159 HydrophobicContact CZ-CD2 4.4Å; V154-F159 HydrophobicContact CG1-CB 4.05Å; V154-F159 HydrophobicContact CG1-CD2 3.92Å; N155-F159 WeakPolarHBondContact O-CB 3.37Å; N155-F159 PolarHBondContact O-N 3.39Å; F159-L162 HydrophobicContact CE2-CD2 4.35Å; F159-L162 HydrophobicContact CZ-CD2 4.08Å; F159-I165 HydrophobicContact CD2-CD1 4.46Å; F159-I165 HydrophobicContact CD2-CG1 4.42Å; F159-I165 HydrophobicContact CE2-CD1 3.79Å; F159-I165 HydrophobicContact CE2-CG1 4.05Å; F159-P209 HydrophobicContact CE1-CB 4.27Å; F159-P209 HydrophobicContact CZ-CB 4.32Å
160Q77.3Confident83.5Confident161 Ų16164 Ų6475%0.75235%0.353SS*.  trans-101.9-42.5173.8-65.6178.8-21.400111.5N158N158-Q160 PolarHBondContact O-N 3.24Å
161N81.8Confident83.4Confident83 Ų8368.5 Ų68.544%0.44437%0.374SS..  trans-155.1161.5-178.5-154.6-5.4000111.2Q163 N164N161-Q163 PolarHBondContact O-N 3.17Å; N161-N164 WeakPolarHBondContact O-CB 3.48Å; N161-N164 PolarHBondContact O-N 2.95Å
162L81.8Confident83.3Confident58 Ų5869.5 Ų69.530%0.30438%0.381SS..Hα-helixtrans-58.1-22.2177.4-71.1179.6000113.3F159 N164 I165 A166 I207F159-L162 HydrophobicContact CE2-CD2 4.35Å; F159-L162 HydrophobicContact CZ-CD2 4.08Å; L162-N164 PolarHBondContact O-N 2.88Å; L162-I165 HydrophobicContact CD2-CD1 3.95Å; L162-I165 WeakPolarHBondContact O-CB 3.41Å; L162-I165 PolarHBondContact O-N 3.22Å; L162-A166 PolarHBondContact O-N 2.94Å; L162-A166 VanDerWaalsContact O-N 3.16Å; L162-I207 WeakPolarHBondContact CD1-O 3.35Å; L162-I207 HydrophobicContact CD2-CG2 4.06Å
163Q82.7Confident83.4Confident141 Ų14172.5 Ų72.566%0.65939%0.389SS*.Hα-helixtrans-60-31.7175.2-67.6-177.6-14.300112.6N161 I165 A166 A167N161-Q163 PolarHBondContact O-N 3.17Å; Q163-I165 VanDerWaalsContact C-N 3.32Å; Q163-I165 PolarHBondContact O-N 2.92Å; Q163-A166 PolarHBondContact O-N 3.33Å; Q163-A167 WeakPolarHBondContact O-CB 3.29Å; Q163-A167 PolarHBondContact O-N 3.03Å
164N83.4Confident83.6Confident46 Ų4670.6 Ų70.625%0.24639%0.385CS..Hα-helixtrans-64.4-40.4178-66.83.7000110.7V154 N158 N161 L162 A167 V168V154-N164 HydrophobicContact CG2-CB 4.24Å; N158-N164 PolarHBondContact O-ND2 3.05Å; N161-N164 WeakPolarHBondContact O-CB 3.48Å; N161-N164 PolarHBondContact O-N 2.95Å; L162-N164 PolarHBondContact O-N 2.88Å; N164-A167 PolarHBondContact O-N 3.45Å; N164-V168 WeakPolarHBondContact O-CG2 3.19Å; N164-V168 PolarHBondContact O-N 2.92Å
165I84.5Confident83.9Confident8 Ų876.8 Ų76.84%0.04141%0.411CS..Hα-helixtrans-63.7-49.7174.9-53.8175.3000109.3F125 F151 F159 L162 Q163 A167 V168 V169 I207F125-I165 HydrophobicContact CE2-CD1 3.97Å; F151-I165 HydrophobicContact CD1-CG2 3.77Å; F151-I165 HydrophobicContact CD2-CG2 4.33Å; F151-I165 HydrophobicContact CE1-CG2 3.8Å; F151-I165 HydrophobicContact CE2-CG2 4.34Å; F151-I165 HydrophobicContact CG-CG2 4.05Å; F151-I165 HydrophobicContact CZ-CG2 4.09Å; F159-I165 HydrophobicContact CD2-CD1 4.46Å; F159-I165 HydrophobicContact CD2-CG1 4.42Å; F159-I165 HydrophobicContact CE2-CD1 3.79Å; F159-I165 HydrophobicContact CE2-CG1 4.05Å; L162-I165 HydrophobicContact CD2-CD1 3.95Å; L162-I165 WeakPolarHBondContact O-CB 3.41Å; L162-I165 PolarHBondContact O-N 3.22Å; Q163-I165 VanDerWaalsContact C-N 3.32Å; Q163-I165 PolarHBondContact O-N 2.92Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 3.39Å; I165-V168 PolarHBondContact O-N 3.37Å; I165-V169 HydrophobicContact CG2-CG2 4.23Å; I165-V169 WeakPolarHBondContact O-CB 3.33Å; I165-V169 WeakPolarHBondContact O-CG2 3.39Å; I165-V169 PolarHBondContact O-N 3.42Å; I165-I207 HydrophobicContact CD1-CG2 4.27Å; I165-I207 HydrophobicContact CG2-CD1 4.49Å
166A85.1Confident84.1Confident58 Ų5878.2 Ų78.248%0.47942%0.424SS..Hα-helixtrans-58.6-41.3179.700000112.3L162 Q163 V169 Q170L162-A166 PolarHBondContact O-N 2.94Å; L162-A166 VanDerWaalsContact O-N 3.16Å; Q163-A166 PolarHBondContact O-N 3.33Å; A166-V169 PolarHBondContact O-N 3.02Å; A166-Q170 WeakPolarHBondContact O-CB 3.38Å; A166-Q170 PolarHBondContact O-N 2.93Å
167A85.9Confident84.6Confident40 Ų4077 Ų7733%0.33142%0.415SS..Hα-helixtrans-63.9-46.217700000111.9Q163 N164 I165 V169 Q170 H171Q163-A167 WeakPolarHBondContact O-CB 3.29Å; Q163-A167 PolarHBondContact O-N 3.03Å; N164-A167 PolarHBondContact O-N 3.45Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 3.39Å; A167-V169 VanDerWaalsContact C-N 3.31Å; A167-V169 PolarHBondContact O-N 3.43Å; A167-Q170 PolarHBondContact O-N 3.25Å; A167-H171 PolarHBondContact O-N 3.13Å; A167-H171 PolarHBondContact O-ND1 3.37Å
168V86.1Confident85.2Confident27 Ų2776.6 Ų76.616%0.16440%0.403CS..Hα-helixtrans-62.6-40.4178.4169.10000111.5V154 N164 I165 S172 L177V154-V168 HydrophobicContact CG2-CG2 3.8Å; N164-V168 WeakPolarHBondContact O-CG2 3.19Å; N164-V168 PolarHBondContact O-N 2.92Å; I165-V168 PolarHBondContact O-N 3.37Å; V168-S172 WeakPolarHBondContact O-CB 3.49Å; V168-S172 PolarHBondContact O-N 2.94Å; V168-S172 PolarHBondContact O-OG 3.39Å; V168-L177 HydrophobicContact CG1-CD1 4.13Å; V168-L177 HydrophobicContact CG1-CD2 4.25Å
169V87.6Confident85.7Confident9 Ų972.4 Ų72.46%0.05538%0.38CS..Hα-helixtrans-63.9-43.7176.8172.50000111.2F151 I165 A166 A167 S172 E173 P194 L202 L203F151-V169 HydrophobicContact CE1-CG2 3.48Å; F151-V169 VanDerWaalsContact CE1-CG2 3.48Å; F151-V169 HydrophobicContact CZ-CG2 3.83Å; I165-V169 HydrophobicContact CG2-CG2 4.23Å; I165-V169 WeakPolarHBondContact O-CB 3.33Å; I165-V169 WeakPolarHBondContact O-CG2 3.39Å; I165-V169 PolarHBondContact O-N 3.42Å; A166-V169 PolarHBondContact O-N 3.02Å; A167-V169 VanDerWaalsContact C-N 3.31Å; A167-V169 PolarHBondContact O-N 3.43Å; V169-S172 CarbonylContact O-C 3.37Å; V169-S172 PolarHBondContact O-N 3.2Å; V169-E173 PolarHBondContact O-N 2.92Å; V169-P194 HydrophobicContact CB-CG 4.41Å; V169-P194 HydrophobicContact CG1-CB 3.7Å; V169-P194 HydrophobicContact CG1-CG 3.88Å; V169-L202 HydrophobicContact CG1-CB 3.87Å; V169-L202 HydrophobicContact CG1-CD1 4.14Å; V169-L203 HydrophobicContact CG1-CD1 4.05Å; V169-L203 HydrophobicContact CG1-CD2 3.92Å; V169-L203 HydrophobicContact CG1-CG 3.73Å; V169-L203 HydrophobicContact CG2-CD1 3.65Å; V169-L203 HydrophobicContact CG2-CD2 4.45Å; V169-L203 HydrophobicContact CG2-CG 4.24Å
170Q86.6Confident86.3Confident137 Ų13770.6 Ų70.664%0.6437%0.372SS*.Hα-helixtrans-68-39.8-179.9-170.1173.19.100112.3A166 A167 S172A166-Q170 WeakPolarHBondContact O-CB 3.38Å; A166-Q170 PolarHBondContact O-N 2.93Å; A167-Q170 PolarHBondContact O-N 3.25Å; Q170-S172 PolarHBondContact O-N 3.45Å
171H86.9Confident87Confident160 Ų16062.9 Ų62.974%0.74134%0.336SS*.Hα-helixtrans-72.5-18.9175.9-72.885.9000113.3A167A167-H171 PolarHBondContact O-N 3.13Å; A167-H171 PolarHBondContact O-ND1 3.37Å
172S86.2Confident87.4Confident23 Ų2359.5 Ų59.516%0.16132%0.318CS..THydrogen-bonded Turntrans-111.224.7-177.1-48.30000112.5V168 V169 Q170 G174 K175V168-S172 WeakPolarHBondContact O-CB 3.49Å; V168-S172 PolarHBondContact O-N 2.94Å; V168-S172 PolarHBondContact O-OG 3.39Å; V169-S172 CarbonylContact O-C 3.37Å; V169-S172 PolarHBondContact O-N 3.2Å; Q170-S172 PolarHBondContact O-N 3.45Å; S172-G174 PolarHBondContact O-N 3.31Å; S172-K175 PolarHBondContact O-N 3.32Å
173E89.2Confident87.7Confident85 Ų8559.2 Ų59.240%0.39731%0.313SS..THydrogen-bonded Turntrans-55.3124.1172.7-170.4177-178.800110V169 K175 R196 L202V169-E173 PolarHBondContact O-N 2.92Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 2.9Å; E173-R196 WeakPolarHBondContact OE1-CG 3.42Å; E173-R196 IonicContact OE1-NE 3.29Å; E173-R196 PolarHBondContact OE1-NE 3.47Å; E173-L202 HydrophobicContact CB-CD1 4.48Å; E173-L202 HydrophobicContact CG-CD1 4.44Å; E173-L202 HydrophobicContact CG-CD2 4.21Å
174G86.4Confident87.7Confident56 Ų5660.3 Ų60.358%0.57732%0.323SS*.THydrogen-bonded Turntrans80.60.7-177.800000115.8S172 P194S172-G174 PolarHBondContact O-N 3.31Å; G174-P194 PolarHBondContact N-O 3.22Å
175K89.9Confident87.5Confident136 Ų13660.6 Ų60.659%0.59134%0.337SS*.SBendtrans-112.6140.2179.3-65.9-179.7-177.7174.60111.8S172 E173 L177 P194S172-K175 PolarHBondContact O-N 3.32Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 2.9Å; K175-L177 PolarHBondContact O-N 3.39Å; K175-P194 VanDerWaalsContact O-CD 3.25Å; K175-P194 WeakPolarHBondContact O-CD 3.46Å
176P88.4Confident87.4Confident91 Ų9167 Ų6759%0.59137%0.367SS*.PPolyproline II helixtrans-68.5125.317726.8-32.6000111.1S191 T193P176-S191 VanDerWaalsContact CB-OG 3.3Å; P176-S191 WeakPolarHBondContact CB-OG 3.41Å; P176-T193 WeakPolarHBondContact CA-OG1 3.19Å
177L90Very high87.4Confident15 Ų1569.5 Ų69.58%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-103132.9173-67.1175.1000110.1F151 V168 K175 S191 L192 P194F151-L177 HydrophobicContact CE1-CD1 3.97Å; V168-L177 HydrophobicContact CG1-CD1 4.13Å; V168-L177 HydrophobicContact CG1-CD2 4.25Å; K175-L177 PolarHBondContact O-N 3.39Å; L177-S191 CarbonylContact O-C 3.58Å; L177-S191 WeakPolarHBondContact O-CA 3.49Å; L177-L192 WeakPolarHBondContact CA-O 3.46Å; L177-L192 VanDerWaalsContact CB-O 3.32Å; L177-L192 WeakPolarHBondContact CB-O 3.13Å; L177-L192 PolarHBondContact N-O 3.38Å; L177-L192 PolarHBondContact O-N 3.06Å; L177-P194 HydrophobicContact CD1-CG 3.76Å; L177-P194 HydrophobicContact CG-CG 4.44Å
178R90.6Very high87.5Confident147 Ų14769.7 Ų69.756%0.55536%0.364SS*.EExtended strand (participates in β ladder)trans-72.9130.4170.4-177.4177-76.6-165.6-3.4109.3G152 Q189G152-R178 WeakPolarHBondContact CA-O 3.42Å; G152-R178 PolarHBondContact N-O 2.88Å; R178-Q189 HydrophobicContact CG-CG 3.98Å
179V90.6Very high87.7Confident0 Ų073.3 Ų73.30%038%0.379CS..EExtended strand (participates in β ladder)trans-130.1130.4175.8-177.80000107.8V148 E150 F151 V181 M190 L192V148-V179 HydrophobicContact CG1-CG1 4.46Å; E150-V179 WeakPolarHBondContact O-CA 3.47Å; E150-V179 WeakPolarHBondContact O-CG1 3.48Å; F151-V179 HydrophobicContact CD2-CB 4.47Å; F151-V179 HydrophobicContact CD2-CG1 3.84Å; F151-V179 HydrophobicContact CD2-CG2 3.77Å; F151-V179 HydrophobicContact CE2-CG1 4.28Å; F151-V179 HydrophobicContact CE2-CG2 3.77Å; F151-V179 HydrophobicContact CG-CG2 4.23Å; F151-V179 HydrophobicContact CZ-CG2 4.22Å; V179-V181 HydrophobicContact CG1-CG1 3.98Å; V179-M190 HydrophobicContact CB-CG 4.1Å; V179-M190 PolarHBondContact N-O 3.44Å; V179-M190 PolarHBondContact O-N 2.95Å; V179-M190 VanDerWaalsContact O-O 3.13Å; V179-L192 HydrophobicContact CG2-CB 3.86Å
180A91.1Very high87.8Confident1 Ų174 Ų741%0.00838%0.382CS..EExtended strand (participates in β ladder)trans-115.4132.1172.700000109.5I149 E150 V188 Q189I149-A180 HydrophobicContact CD1-CB 3.86Å; I149-A180 VanDerWaalsContact CG1-C 3.49Å; I149-A180 HydrophobicContact CG1-CB 3.73Å; I149-A180 WeakPolarHBondContact CG1-O 3.33Å; I149-A180 PolarHBondContact N-O 3.32Å; E150-A180 HydrophobicContact CB-CB 3.94Å; E150-A180 PolarHBondContact N-O 3.39Å; E150-A180 VanDerWaalsContact N-O 3.16Å; E150-A180 PolarHBondContact O-N 3.37Å; A180-V188 WeakPolarHBondContact CA-O 3.23Å; A180-Q189 HydrophobicContact CB-CG 4.43Å
181V91.6Very high88.1Confident0 Ų070.7 Ų70.70%037%0.374CS..EExtended strand (participates in β ladder)trans-131.7161.8-178.9-54.80000110.8L142 D146 E147 V148 V179 K187 V188 M190L142-V181 HydrophobicContact CD1-CG1 4.05Å; D146-V181 HydrophobicContact CB-CB 4.05Å; D146-V181 HydrophobicContact CB-CG1 4.3Å; D146-V181 HydrophobicContact CB-CG2 4.12Å; E147-V181 CarbonylContact O-C 3.5Å; E147-V181 WeakPolarHBondContact O-CA 3.34Å; E147-V181 WeakPolarHBondContact O-CB 3.38Å; V148-V181 HydrophobicContact CG2-CG1 4.12Å; V179-V181 HydrophobicContact CG1-CG1 3.98Å; V181-K187 CarbonylContact O-C 3.53Å; V181-K187 WeakPolarHBondContact O-CA 3.35Å; V181-V188 HydrophobicContact CG2-CB 4.05Å; V181-V188 PolarHBondContact N-O 2.99Å; V181-V188 PolarHBondContact O-N 3.5Å; V181-M190 HydrophobicContact CG2-CE 3.7Å
182I90.3Very high88.3Confident11 Ų1163 Ų636%0.05634%0.339CS..EExtended strand (participates in β ladder)trans-103.8125.4169.9-54.1166.6000107.1L121 P124 E147 I149 Q186L121-I182 HydrophobicContact CB-CD1 3.67Å; L121-I182 HydrophobicContact CB-CG1 4.24Å; L121-I182 HydrophobicContact CD1-CB 4.43Å; L121-I182 HydrophobicContact CD1-CD1 3.93Å; L121-I182 HydrophobicContact CD1-CG1 3.98Å; L121-I182 HydrophobicContact CD1-CG2 3.63Å; L121-I182 HydrophobicContact CD2-CD1 4.44Å; L121-I182 HydrophobicContact CD2-CG1 4.08Å; L121-I182 HydrophobicContact CG-CD1 4.22Å; L121-I182 HydrophobicContact CG-CG1 4.33Å; P124-I182 HydrophobicContact CB-CD1 4.39Å; P124-I182 HydrophobicContact CG-CD1 4.32Å; E147-I182 HydrophobicContact CB-CB 4.2Å; E147-I182 PolarHBondContact N-O 3Å; E147-I182 PolarHBondContact O-N 3.27Å; I149-I182 HydrophobicContact CG2-CD1 3.55Å; I149-I182 HydrophobicContact CG2-CG1 3.75Å; I182-Q186 WeakPolarHBondContact CA-O 3.49Å
183R88.4Confident88.5Confident52 Ų5264.2 Ų64.220%0.19635%0.345CS..EExtended strand (participates in β ladder)trans-131124.5174.7-176.9-178.4-63.8161.11.5108.1G141 D146 G185 Q186 V188G141-R183 PolarHBondContact O-NH2 2.84Å; D146-R183 IonicContact OD1-CZ 3.49Å; D146-R183 IonicContact OD1-NE 2.79Å; D146-R183 PolarHBondContact OD1-NE 3.43Å; D146-R183 IonicContact OD1-NH2 3.33Å; D146-R183 PolarHBondContact OD1-NH2 3.41Å; D146-R183 IonicContact OD2-CZ 3.62Å; D146-R183 IonicContact OD2-NE 3.71Å; D146-R183 IonicContact OD2-NH2 2.71Å; D146-R183 PolarHBondContact OD2-NH2 3.18Å; R183-G185 PolarHBondContact O-N 2.93Å; R183-G185 VanDerWaalsContact O-N 3.16Å; R183-Q186 PolarHBondContact N-O 3.48Å; R183-Q186 PolarHBondContact O-N 3.28Å; R183-V188 HydrophobicContact CB-CG2 4.09Å
184D83.8Confident88.6Confident164 Ų16460.2 Ų60.288%0.87733%0.326SS*.THydrogen-bonded Turntrans53.134.9-177.9-59.8-65000113.2Q186D184-Q186 VanDerWaalsContact C-N 3.28Å; D184-Q186 PolarHBondContact O-N 2.87Å
185G78.8Confident88.8Confident53 Ų5362.5 Ų62.555%0.54632%0.322SS..THydrogen-bonded Turntrans75.910.3-177.900000114.8L121 R183L121-G185 WeakPolarHBondContact CD1-O 3.48Å; R183-G185 PolarHBondContact O-N 2.93Å; R183-G185 VanDerWaalsContact O-N 3.16Å
186Q81.3Confident88.7Confident142 Ų14265.7 Ų65.766%0.66433%0.33SS*.EExtended strand (participates in β ladder)trans-117.7140.2178.7-162.2166.559.300111.8I182 R183 D184 V188I182-Q186 WeakPolarHBondContact CA-O 3.49Å; R183-Q186 PolarHBondContact N-O 3.48Å; R183-Q186 PolarHBondContact O-N 3.28Å; D184-Q186 VanDerWaalsContact C-N 3.28Å; D184-Q186 PolarHBondContact O-N 2.87Å; Q186-V188 PolarHBondContact O-N 3.24Å
187K85.4Confident88.7Confident110 Ų11063.6 Ų63.648%0.47831%0.311SS..EExtended strand (participates in β ladder)trans-73.8119.8177.1-174.5173.3176.2179.90110.4L121 I149 V181L121-K187 HydrophobicContact CD2-CB 3.7Å; I149-K187 HydrophobicContact CD1-CD 3.95Å; I149-K187 HydrophobicContact CD1-CG 3.96Å; V181-K187 CarbonylContact O-C 3.53Å; V181-K187 WeakPolarHBondContact O-CA 3.35Å
188V88.6Confident88.3Confident44 Ų4468.9 Ų68.927%0.26735%0.349SS..EExtended strand (participates in β ladder)trans-116.2125.2175.7-176.90000108.9A180 V181 R183 Q186 M190A180-V188 WeakPolarHBondContact CA-O 3.23Å; V181-V188 HydrophobicContact CG2-CB 4.05Å; V181-V188 PolarHBondContact N-O 2.99Å; V181-V188 PolarHBondContact O-N 3.5Å; R183-V188 HydrophobicContact CB-CG2 4.09Å; Q186-V188 PolarHBondContact O-N 3.24Å; V188-M190 HydrophobicContact CG1-CE 4.14Å
189Q90.1Very high87.9Confident104 Ų10463.6 Ų63.649%0.48634%0.34SS..EExtended strand (participates in β ladder)trans-106.5132.4176.8-160.6-177.2-83.500110.1R178 A180R178-Q189 HydrophobicContact CG-CG 3.98Å; A180-Q189 HydrophobicContact CB-CG 4.43Å
190M90.6Very high87.3Confident22 Ų2275 Ų7511%0.10838%0.383CS..EExtended strand (participates in β ladder)trans-138.2163-178.563.2-173.871.300111.6L142 V179 V181 V188L142-M190 HydrophobicContact CB-SD 4.13Å; L142-M190 HydrophobicContact CD1-CE 4.31Å; L142-M190 HydrophobicContact CD1-SD 3.63Å; V179-M190 HydrophobicContact CB-CG 4.1Å; V179-M190 PolarHBondContact N-O 3.44Å; V179-M190 PolarHBondContact O-N 2.95Å; V179-M190 VanDerWaalsContact O-O 3.13Å; V181-M190 HydrophobicContact CG2-CE 3.7Å; V188-M190 HydrophobicContact CG1-CE 4.14Å
191S92.4Very high87Confident68 Ų6877.6 Ų77.648%0.47641%0.411SS..EExtended strand (participates in β ladder)trans-111.4114.6176.6177.70000109.2A140 P176 L177A140-S191 WeakPolarHBondContact CB-O 3.2Å; P176-S191 VanDerWaalsContact CB-OG 3.3Å; P176-S191 WeakPolarHBondContact CB-OG 3.41Å; L177-S191 CarbonylContact O-C 3.58Å; L177-S191 WeakPolarHBondContact O-CA 3.49Å
192L90.6Very high86.7Confident0 Ų079.1 Ų79.10%042%0.418CS..EExtended strand (participates in β ladder)trans-110.6124.2-177.8173.9155.2000109.4A137 A140 F151 L177 V179 P194 L203A137-L192 HydrophobicContact CB-CD1 4.2Å; A140-L192 HydrophobicContact CB-CB 3.83Å; A140-L192 HydrophobicContact CB-CD1 4.46Å; A140-L192 HydrophobicContact CB-CG 4.21Å; F151-L192 HydrophobicContact CE2-CD1 4.38Å; F151-L192 HydrophobicContact CZ-CD1 4.46Å; F151-L192 HydrophobicContact CZ-CD2 4Å; L177-L192 WeakPolarHBondContact CA-O 3.46Å; L177-L192 VanDerWaalsContact CB-O 3.32Å; L177-L192 WeakPolarHBondContact CB-O 3.13Å; L177-L192 PolarHBondContact N-O 3.38Å; L177-L192 PolarHBondContact O-N 3.06Å; V179-L192 HydrophobicContact CG2-CB 3.86Å; L192-P194 HydrophobicContact CD2-CG 4.24Å; L192-L203 HydrophobicContact CD1-CD2 4.25Å; L192-L203 HydrophobicContact CD2-CD1 4.44Å; L192-L203 HydrophobicContact CD2-CD2 3.2Å; L192-L203 HydrophobicContact CD2-CG 4.42Å; L192-L203 HydrophobicContact CG-CD2 4.1Å
193T90.9Very high86.5Confident48 Ų4879.4 Ų79.429%0.29442%0.42SS..  trans-109.8110.6-177.6-55.10000109.2P136 P176 Q195P136-T193 WeakPolarHBondContact CB-O 3.34Å; P176-T193 WeakPolarHBondContact CA-OG1 3.19Å; T193-Q195 PolarHBondContact O-N 3.41Å
194P90.8Very high86.4Confident0 Ų077.4 Ų77.40%042%0.416CS..  trans-65129.3176.7-18.831.3000111.6V169 G174 K175 L177 L192 L202 L203V169-P194 HydrophobicContact CB-CG 4.41Å; V169-P194 HydrophobicContact CG1-CB 3.7Å; V169-P194 HydrophobicContact CG1-CG 3.88Å; G174-P194 PolarHBondContact N-O 3.22Å; K175-P194 VanDerWaalsContact O-CD 3.25Å; K175-P194 WeakPolarHBondContact O-CD 3.46Å; L177-P194 HydrophobicContact CD1-CG 3.76Å; L177-P194 HydrophobicContact CG-CG 4.44Å; L192-P194 HydrophobicContact CD2-CG 4.24Å; P194-L202 HydrophobicContact CB-CB 4.09Å; P194-L203 HydrophobicContact CB-CD2 3.96Å; P194-L203 HydrophobicContact CG-CD2 4.02Å
195Q90.4Very high86.6Confident105 Ų10570.9 Ų70.949%0.49138%0.382SS..  trans-152.6155.9177.559.3179.3-28.500110.9P136 T193 W197 L202P136-Q195 HydrophobicContact CB-CG 4.02Å; P136-Q195 HydrophobicContact CG-CG 3.38Å; T193-Q195 PolarHBondContact O-N 3.41Å; Q195-W197 PolarHBondContact O-N 2.99Å; Q195-L202 PolarHBondContact N-O 3.08Å; Q195-L202 CarbonylContact O-C 3.47Å; Q195-L202 WeakPolarHBondContact O-CA 3.44Å
196R88.3Confident87.1Confident202 Ų20272 Ų7276%0.76238%0.376SS*.  trans-66.8131.9171.7-65.2-177.2-170.6-171.6-3109.8E173 L202E173-R196 WeakPolarHBondContact OE1-CG 3.42Å; E173-R196 IonicContact OE1-NE 3.29Å; E173-R196 PolarHBondContact OE1-NE 3.47Å; R196-L202 HydrophobicContact CG-CD2 3.9Å
197W88.1Confident87.4Confident47 Ų4766.2 Ų66.218%0.17835%0.35CS..  trans-139.1179.1-179.268.8-65.3000109.3T132 P136 Q195 G199 G201T132-W197 VanDerWaalsContact CB-CH2 3.45Å; T132-W197 HydrophobicContact CG2-CH2 3.52Å; T132-W197 HydrophobicContact CG2-CZ3 3.62Å; P136-W197 HydrophobicContact CG-CB 4.32Å; P136-W197 HydrophobicContact CG-CG 4.22Å; Q195-W197 PolarHBondContact O-N 2.99Å; W197-G199 VanDerWaalsContact CZ2-CA 3.48Å; W197-G199 PolarHBondContact O-N 3.26Å; W197-G199 VanDerWaalsContact O-N 3.1Å; W197-G201 VanDerWaalsContact CD1-O 3.22Å; W197-G201 PolarHBondContact NE1-O 3.13Å
198S82.3Confident87.6Confident127 Ų12763 Ų6389%0.88834%0.339SS*.SBendtrans-69.1-3.8-174.250.90000115.3
199G81.4Confident87.6Confident36 Ų3663.6 Ų63.637%0.37134%0.344SS..SBendtrans-109.3-163.5178.200000114.1W197W197-G199 VanDerWaalsContact CZ2-CA 3.48Å; W197-G199 PolarHBondContact O-N 3.26Å; W197-G199 VanDerWaalsContact O-N 3.1Å
200R78.6Confident87.3Confident238 Ų23860.4 Ų60.490%0.89833%0.331SS*.SBendtrans-85.1135.9179.5-66.3-176.1-178.7-174.50.7111
201G84.8Confident85.8Confident57 Ų5768.2 Ų68.259%0.58837%0.368SS*.THydrogen-bonded Turntrans76.5-167.7177.100000114.1W197W197-G201 VanDerWaalsContact CD1-O 3.22Å; W197-G201 PolarHBondContact NE1-O 3.13Å
202L84.9Confident83.9Confident31 Ų3180.3 Ų80.316%0.16240%0.403CS..THydrogen-bonded Turntrans-101.2-8.5-173.4-64172.4000114.5V169 E173 P194 Q195 R196V169-L202 HydrophobicContact CG1-CB 3.87Å; V169-L202 HydrophobicContact CG1-CD1 4.14Å; E173-L202 HydrophobicContact CB-CD1 4.48Å; E173-L202 HydrophobicContact CG-CD1 4.44Å; E173-L202 HydrophobicContact CG-CD2 4.21Å; P194-L202 HydrophobicContact CB-CB 4.09Å; Q195-L202 PolarHBondContact N-O 3.08Å; Q195-L202 CarbonylContact O-C 3.47Å; Q195-L202 WeakPolarHBondContact O-CA 3.44Å; R196-L202 HydrophobicContact CG-CD2 3.9Å
203L85.4Confident83.6Confident17 Ų1784.4 Ų84.49%0.08942%0.423CS..THydrogen-bonded Turntrans-119.9-40.3-173.9-62.8-174.3000114.2S135 P136 A137 F151 V169 L192 P194S135-L203 WeakPolarHBondContact CB-O 3.19Å; S135-L203 PolarHBondContact OG-O 3.01Å; P136-L203 WeakPolarHBondContact CD-O 3.36Å; A137-L203 VanDerWaalsContact CB-O 3.26Å; A137-L203 WeakPolarHBondContact CB-O 3.43Å; A137-L203 PolarHBondContact N-O 2.85Å; F151-L203 HydrophobicContact CE2-CD1 4.45Å; F151-L203 HydrophobicContact CZ-CD1 3.79Å; V169-L203 HydrophobicContact CG1-CD1 4.05Å; V169-L203 HydrophobicContact CG1-CD2 3.92Å; V169-L203 HydrophobicContact CG1-CG 3.73Å; V169-L203 HydrophobicContact CG2-CD1 3.65Å; V169-L203 HydrophobicContact CG2-CD2 4.45Å; V169-L203 HydrophobicContact CG2-CG 4.24Å; L192-L203 HydrophobicContact CD1-CD2 4.25Å; L192-L203 HydrophobicContact CD2-CD1 4.44Å; L192-L203 HydrophobicContact CD2-CD2 3.2Å; L192-L203 HydrophobicContact CD2-CG 4.42Å; L192-L203 HydrophobicContact CG-CD2 4.1Å; P194-L203 HydrophobicContact CB-CD2 3.96Å; P194-L203 HydrophobicContact CG-CD2 4.02Å
204G87.4Confident83.2Confident10 Ų1086.3 Ų86.310%0.10343%0.43CS..  trans72.829.4-175.700000116T132T132-G204 PolarHBondContact N-O 3.33Å; T132-G204 PolarHBondContact OG1-O 3.48Å
205C87.6Confident82.7Confident27 Ų2791.1 Ų91.118%0.18245%0.454CS..EExtended strand (participates in β ladder)trans-125.4148.6169.5590000111.5A130 V131 A137 L142A130-C205 CarbonylContact O-C 3.55Å; A130-C205 WeakPolarHBondContact O-CA 3.34Å; V131-C205 HydrophobicContact CG2-CB 4.2Å; A137-C205 HydrophobicContact CB-CB 3.81Å; L142-C205 HydrophobicContact CD2-CB 4Å
206N89Confident82.3Confident78 Ų7890.2 Ų90.242%0.41745%0.451SS..EExtended strand (participates in β ladder)trans-95.6122.1169.5-170.734.3000108.9D129 A130D129-N206 HydrophobicContact CB-CB 4.35Å; D129-N206 PolarHBondContact N-O 3.15Å; D129-N206 PolarHBondContact OD2-ND2 3.31Å; A130-N206 HydrophobicContact CB-CB 4Å; A130-N206 PolarHBondContact O-N 3.36Å
207I88.5Confident81.9Confident20 Ų2083.3 Ų83.310%0.10343%0.432CS..EExtended strand (participates in β ladder)trans-118.2125.9-179-59.2173.2000107.4A126 F151 L162 I165A126-I207 HydrophobicContact CB-CG2 3.49Å; A126-I207 VanDerWaalsContact CB-CG2 3.49Å; F151-I207 HydrophobicContact CE2-CD1 4.43Å; L162-I207 WeakPolarHBondContact CD1-O 3.35Å; L162-I207 HydrophobicContact CD2-CG2 4.06Å; I165-I207 HydrophobicContact CD1-CG2 4.27Å; I165-I207 HydrophobicContact CG2-CD1 4.49Å
208V89.3Confident81.5Confident43 Ų4385.7 Ų85.726%0.26145%0.449SS..EExtended strand (participates in β ladder)trans-114.5139178.9-64.40000109.8A126 R127 D129A126-V208 CarbonylContact C-O 3.35Å; A126-V208 VanDerWaalsContact CA-O 3.28Å; A126-V208 WeakPolarHBondContact CA-O 3.42Å; R127-V208 HydrophobicContact CB-CG2 4.41Å; R127-V208 PolarHBondContact N-O 2.65Å; R127-V208 WeakPolarHBondContact O-CG2 3.48Å; R127-V208 PolarHBondContact O-N 2.81Å; D129-V208 HydrophobicContact CB-CG1 4.19Å; D129-V208 HydrophobicContact CB-CG2 4.25Å
209P87.6Confident81.5Confident56 Ų5682.7 Ų82.736%0.36442%0.417SS..EExtended strand (participates in β ladder)trans-67.5137.5175.630.1-34.1000109.3F125 F159F125-P209 WeakPolarHBondContact O-CA 3.5Å; F159-P209 HydrophobicContact CE1-CB 4.27Å; F159-P209 HydrophobicContact CZ-CB 4.32Å
210V83.5Confident81.5Confident36 Ų3686.3 Ų86.322%0.21842%0.421CS..  trans-95.6100.2169-89.20000107.5P124 F125 R127P124-V210 HydrophobicContact CB-CG2 4.4Å; P124-V210 WeakPolarHBondContact O-CG2 3.25Å; F125-V210 VanDerWaalsContact C-CG2 3.45Å; F125-V210 PolarHBondContact O-N 3.37Å; F125-V210 VanDerWaalsContact O-N 3.12Å; R127-V210 HydrophobicContact CB-CG1 3.89Å
211Q60.6Low81.7Confident187 Ų18773.7 Ų73.787%0.87438%0.381SS*.  trans-80.7121.5168.4-68.5-175.2-9.800108
212R51.8Low81.4Confident322 Ų32275.2 Ų75.2100%1.21536%0.363SS*.  trans-110.70159.8-90.3-170.6179.5-174.82.9108.7

Retrieved 212 of 212 residues in 135.9 ms (Link to these results)

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