A0A384DR72_URSMA Loading...

Single-stranded DNA-binding protein 2 isoform X2

AlphaFold DB , UniProt , Accession A0A384DR72, Species URSMA (Ursus maritimus, Polar bear), Gene SSBP2, Length 369 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
1M36.5Very low47.3Very low235 Ų235142 Ų142100%1.15881%0.813SS**  0101.20-73.5155.77500107.4
2Y33.8Very low49.7Very low236 Ų236141.3 Ų141.393%0.92581%0.812SS**  trans-100.4112.7174.7-65.3-73.7000107.8K4Y2-K4 PolarHBondContact O-N 2.78Å
3G47.3Very low52Low78 Ų78136.8 Ų136.880%0.80479%0.792SS**  trans-60.6115.7178.500000109.9G5G3-G5 PolarHBondContact O-N 3.39Å
4K40.5Very low54.5Low208 Ų208131.1 Ų131.190%0.90476%0.764SS**  trans-65.1101.6172.3-168.3169.9-176.8174.80107.5Y2 K6Y2-K4 PolarHBondContact O-N 2.78Å; K4-K6 PolarHBondContact O-N 3.34Å
5G41.8Very low56.9Low64 Ų64130.8 Ų130.866%0.6676%0.758SS**  trans-51.9127.2171.400000109.2G3 S7G3-G5 PolarHBondContact O-N 3.39Å; G5-S7 VanDerWaalsContact C-N 3.33Å; G5-S7 PolarHBondContact O-N 3.35Å
6K43.9Very low58.9Low198 Ų198127.1 Ų127.186%0.86174%0.742SS**  trans-55.4102.1165.7-85.7170.1170.5170.50106.8K4 N8K4-K6 PolarHBondContact O-N 3.34Å; K6-N8 VanDerWaalsContact C-N 3.34Å; K6-N8 PolarHBondContact O-N 2.91Å
7S44.7Very low60.6Low103 Ų103125.8 Ų125.872%0.7273%0.727SS**  trans-59.7103.4162.952.30000106.4G5 S9G5-S7 VanDerWaalsContact C-N 3.33Å; G5-S7 PolarHBondContact O-N 3.35Å; S7-S9 PolarHBondContact O-N 3.1Å
8N49.1Very low62.3Low158 Ų158121.6 Ų121.685%0.84571%0.709SS**  trans-65.967.6156.4-79.3-0.7000107.3K6 S10K6-N8 VanDerWaalsContact C-N 3.34Å; K6-N8 PolarHBondContact O-N 2.91Å; N8-S10 PolarHBondContact O-N 3.21Å
9S47.9Very low63.8Low90 Ų90124.8 Ų124.863%0.62971%0.708SS**  trans-61.4112.4155.9166.40000104.3S7 A11S7-S9 PolarHBondContact O-N 3.1Å; S9-A11 PolarHBondContact O-N 2.86Å
10S61.9Low65.2Low118 Ų118122.1 Ų122.183%0.82569%0.689SS**  trans-64.684.8166.763.80000106.5N8N8-S10 PolarHBondContact O-N 3.21Å
11A72.4Confident66.4Low74 Ų74122 Ų12261%0.61268%0.681SS**PPolyproline II helixtrans-56140.9174.300000107.9S9S9-A11 PolarHBondContact O-N 2.86Å
12V76.7Confident69.1Low133 Ų133115.2 Ų115.281%0.80665%0.65SS**PPolyproline II helixtrans-48.9127.3171.7178.10000107.7S14V12-S14 PolarHBondContact O-N 2.96Å
13P79.1Confident72Confident84 Ų84104.8 Ų104.855%0.54561%0.612SS.*PPolyproline II helixtrans-59.4132.7-178.123.9-32.6000109Q17P13-Q17 HydrophobicContact CB-CB 4.49Å
14S87.9Confident74.2Confident57 Ų57102.5 Ų102.540%0.39958%0.581SS.*PPolyproline II helixtrans-70.3155.3174.166.20000110.3V12 S16 Q17 A18V12-S14 PolarHBondContact O-N 2.96Å; S14-S16 PolarHBondContact O-N 3.06Å; S14-S16 VanDerWaalsContact O-N 3.08Å; S14-Q17 WeakPolarHBondContact O-CA 3.47Å; S14-Q17 WeakPolarHBondContact O-CB 3.4Å; S14-Q17 PolarHBondContact O-N 3.27Å; S14-Q17 WeakPolarHBondContact OG-CG 3.38Å; S14-Q17 PolarHBondContact OG-N 3.43Å; S14-A18 PolarHBondContact O-N 3.28Å
15D90Very high76.8Confident126 Ų12695.3 Ų95.367%0.67455%0.549SS*.Hα-helixtrans-54.2-32.7176.5-71.6-33.8000112.5A18 R19D15-A18 PolarHBondContact O-N 3.4Å; D15-R19 WeakPolarHBondContact O-CB 3.44Å; D15-R19 WeakPolarHBondContact O-CG 3.33Å; D15-R19 PolarHBondContact O-N 3.06Å
16S88.1Confident79.3Confident72 Ų7294.2 Ų94.250%0.50353%0.529SS..Hα-helixtrans-62.7-47.8174.2-172.20000111.6S14 A18 R19 E20S14-S16 PolarHBondContact O-N 3.06Å; S14-S16 VanDerWaalsContact O-N 3.08Å; S16-A18 VanDerWaalsContact C-N 3.32Å; S16-A18 PolarHBondContact O-N 3.15Å; S16-R19 PolarHBondContact O-N 2.93Å; S16-E20 WeakPolarHBondContact O-CG 3.48Å; S16-E20 PolarHBondContact O-N 3.16Å
17Q89.3Confident81.7Confident105 Ų10586.3 Ų86.349%0.49149%0.494SS..Hα-helixtrans-63.4-38.9176.9-68.4173.88.100111.9P13 S14 E20 K21P13-Q17 HydrophobicContact CB-CB 4.49Å; S14-Q17 WeakPolarHBondContact O-CA 3.47Å; S14-Q17 WeakPolarHBondContact O-CB 3.4Å; S14-Q17 PolarHBondContact O-N 3.27Å; S14-Q17 WeakPolarHBondContact OG-CG 3.38Å; S14-Q17 PolarHBondContact OG-N 3.43Å; Q17-E20 PolarHBondContact O-N 2.87Å; Q17-K21 WeakPolarHBondContact O-CB 3.41Å; Q17-K21 WeakPolarHBondContact O-CG 3.45Å; Q17-K21 PolarHBondContact O-N 3.44Å
18A90.8Very high84Confident49 Ų4981.9 Ų81.941%0.40546%0.462SS..Hα-helixtrans-64.1-44.6176.400000111.7S14 D15 S16 E20 K21 L22S14-A18 PolarHBondContact O-N 3.28Å; D15-A18 PolarHBondContact O-N 3.4Å; S16-A18 VanDerWaalsContact C-N 3.32Å; S16-A18 PolarHBondContact O-N 3.15Å; A18-E20 PolarHBondContact O-N 3.4Å; A18-K21 PolarHBondContact O-N 3.41Å; A18-L22 WeakPolarHBondContact O-CB 3.45Å; A18-L22 PolarHBondContact O-N 3.49Å
19R90.4Very high86.1Confident184 Ų18478.5 Ų78.569%0.69444%0.438SS*.Hα-helixtrans-61.8-43176.2-73.7170.8-173.6-160.82.6112.1D15 S16 L22 A23D15-R19 WeakPolarHBondContact O-CB 3.44Å; D15-R19 WeakPolarHBondContact O-CG 3.33Å; D15-R19 PolarHBondContact O-N 3.06Å; S16-R19 PolarHBondContact O-N 2.93Å; R19-L22 PolarHBondContact O-N 2.99Å; R19-A23 WeakPolarHBondContact O-CB 3.21Å; R19-A23 PolarHBondContact O-N 3.29Å
20E91.3Very high88.3Confident69 Ų6975.8 Ų75.832%0.32242%0.416SS..Hα-helixtrans-62.7-45.1176.5-72.1180174.400111.9S16 Q17 A18 A23 L24 W48 K50S16-E20 WeakPolarHBondContact O-CG 3.48Å; S16-E20 PolarHBondContact O-N 3.16Å; Q17-E20 PolarHBondContact O-N 2.87Å; A18-E20 PolarHBondContact O-N 3.4Å; E20-A23 PolarHBondContact O-N 3.46Å; E20-L24 PolarHBondContact O-N 3.16Å; E20-L24 VanDerWaalsContact O-N 3.12Å; E20-W48 HydrophobicContact CB-CH2 4.25Å; E20-W48 HydrophobicContact CB-CZ3 4.43Å; E20-W48 WeakPolarHBondContact O-CH2 3.31Å; E20-K50 IonicContact OE1-NZ 2.68Å; E20-K50 PolarHBondContact OE1-NZ 3.32Å; E20-K50 IonicContact OE2-NZ 2.65Å; E20-K50 PolarHBondContact OE2-NZ 3.48Å
21K91.6Very high89.8Confident120 Ų12071.2 Ų71.252%0.52238%0.382SS..Hα-helixtrans-64.4-42176.6-74.9-68.6-173.9178.40111.9Q17 A18 L24 Y25Q17-K21 WeakPolarHBondContact O-CB 3.41Å; Q17-K21 WeakPolarHBondContact O-CG 3.45Å; Q17-K21 PolarHBondContact O-N 3.44Å; A18-K21 PolarHBondContact O-N 3.41Å; K21-L24 PolarHBondContact O-N 2.96Å; K21-Y25 HydrophobicContact CB-CE2 4.17Å; K21-Y25 WeakPolarHBondContact O-CD2 3.24Å; K21-Y25 PolarHBondContact O-N 3Å
22L93.7Very high90.6Very high94 Ų9470.7 Ų70.749%0.49237%0.367SS..Hα-helixtrans-60.9-46176.4-179.362000111.3A18 R19 L24 Y25 V26 L61A18-L22 WeakPolarHBondContact O-CB 3.45Å; A18-L22 PolarHBondContact O-N 3.49Å; R19-L22 PolarHBondContact O-N 2.99Å; L22-L24 VanDerWaalsContact C-N 3.3Å; L22-L24 PolarHBondContact O-N 3.12Å; L22-Y25 PolarHBondContact O-N 3.28Å; L22-Y25 VanDerWaalsContact O-N 3.16Å; L22-V26 HydrophobicContact CD1-CG2 4.22Å; L22-V26 HydrophobicContact CG-CG2 4.36Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.07Å; L22-L61 HydrophobicContact CD1-CD1 4.39Å
23A94.3Very high91.4Very high17 Ų1768 Ų6814%0.1435%0.351CS..Hα-helixtrans-58.2-42.817700000111.8R19 E20 Y25 V26 Y27 F42 I46 W48R19-A23 WeakPolarHBondContact O-CB 3.21Å; R19-A23 PolarHBondContact O-N 3.29Å; E20-A23 PolarHBondContact O-N 3.46Å; A23-Y25 PolarHBondContact O-N 3.24Å; A23-V26 PolarHBondContact O-N 3.49Å; A23-Y27 PolarHBondContact O-N 2.92Å; A23-F42 HydrophobicContact CB-CE1 4.27Å; A23-F42 HydrophobicContact CB-CZ 4.1Å; A23-F42 WeakPolarHBondContact O-CE1 3.33Å; A23-I46 HydrophobicContact CB-CD1 3.98Å; A23-W48 HydrophobicContact CB-CE3 4.39Å; A23-W48 HydrophobicContact CB-CZ3 3.91Å
24L93.9Very high92.1Very high29 Ų2966.6 Ų66.615%0.15235%0.351CS..Hα-helixtrans-60.9-44.6175.5-176.7142.4000112.1E20 K21 L22 Y27 E28 W48E20-L24 PolarHBondContact O-N 3.16Å; E20-L24 VanDerWaalsContact O-N 3.12Å; K21-L24 PolarHBondContact O-N 2.96Å; L22-L24 VanDerWaalsContact C-N 3.3Å; L22-L24 PolarHBondContact O-N 3.12Å; L24-Y27 PolarHBondContact O-N 3.23Å; L24-E28 PolarHBondContact O-N 3.4Å; L24-W48 HydrophobicContact CB-CH2 4.43Å; L24-W48 HydrophobicContact CB-CZ2 4.42Å; L24-W48 HydrophobicContact CD1-CZ2 4.39Å
25Y93.6Very high92.4Very high58 Ų5865.2 Ų65.223%0.22734%0.344CS..Hα-helixtrans-71.3-30.9179.3-59.6-45.6000113.3K21 L22 A23 Y29 F60K21-Y25 HydrophobicContact CB-CE2 4.17Å; K21-Y25 WeakPolarHBondContact O-CD2 3.24Å; K21-Y25 PolarHBondContact O-N 3Å; L22-Y25 PolarHBondContact O-N 3.28Å; L22-Y25 VanDerWaalsContact O-N 3.16Å; A23-Y25 PolarHBondContact O-N 3.24Å; Y25-Y29 WeakPolarHBondContact O-CB 3.48Å; Y25-Y29 PolarHBondContact O-N 3.25Å; Y25-F60 HydrophobicContact CD1-CB 3.7Å; Y25-F60 AromaticContact CD1-CD1 3.8Å; Y25-F60 HydrophobicContact CD1-CD1 3.8Å; Y25-F60 HydrophobicContact CD1-CG 4.01Å; Y25-F60 AromaticContact CD2-CD1 3.52Å; Y25-F60 HydrophobicContact CD2-CD1 3.52Å; Y25-F60 AromaticContact CD2-CE1 3.88Å; Y25-F60 HydrophobicContact CD2-CE1 3.88Å; Y25-F60 HydrophobicContact CD2-CG 4.48Å; Y25-F60 HydrophobicContact CE1-CB 3.73Å; Y25-F60 AromaticContact CE1-CD1 3.72Å; Y25-F60 HydrophobicContact CE1-CD1 3.72Å; Y25-F60 HydrophobicContact CE1-CE1 4.49Å; Y25-F60 AromaticContact CE1-CG 3.74Å; Y25-F60 HydrophobicContact CE1-CG 3.74Å; Y25-F60 AromaticContact CE2-CD1 3.4Å; Y25-F60 HydrophobicContact CE2-CD1 3.4Å; Y25-F60 VanDerWaalsContact CE2-CD1 3.4Å; Y25-F60 AromaticContact CE2-CE1 3.48Å; Y25-F60 HydrophobicContact CE2-CE1 3.48Å; Y25-F60 VanDerWaalsContact CE2-CE1 3.48Å; Y25-F60 HydrophobicContact CE2-CG 4.22Å; Y25-F60 HydrophobicContact CE2-CZ 4.34Å; Y25-F60 HydrophobicContact CG-CB 4.33Å; Y25-F60 AromaticContact CG-CD1 3.72Å; Y25-F60 HydrophobicContact CG-CD1 3.72Å; Y25-F60 HydrophobicContact CG-CG 4.39Å; Y25-F60 AromaticContact CZ-CD1 3.51Å; Y25-F60 AromaticContact CZ-CE1 3.83Å; Y25-F60 AromaticContact CZ-CG 3.84Å
26V94.8Very high92.5Very high40 Ų4063.9 Ų63.924%0.24233%0.334CS..Hα-helixtrans-66.2-43.3171.7169.80000110.4L22 A23 Y29 L30 F42 L61L22-V26 HydrophobicContact CD1-CG2 4.22Å; L22-V26 HydrophobicContact CG-CG2 4.36Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.07Å; A23-V26 PolarHBondContact O-N 3.49Å; V26-Y29 WeakPolarHBondContact O-CB 3.33Å; V26-Y29 PolarHBondContact O-N 2.67Å; V26-L30 HydrophobicContact CG1-CD1 4.15Å; V26-L30 HydrophobicContact CG1-CG 4.47Å; V26-L30 VanDerWaalsContact O-CG 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.49Å; V26-L30 PolarHBondContact O-N 3.09Å; V26-F42 HydrophobicContact CB-CE1 4.3Å; V26-F42 HydrophobicContact CB-CZ 4.29Å; V26-F42 HydrophobicContact CG1-CE1 4.09Å; V26-F42 HydrophobicContact CG1-CE2 4.4Å; V26-F42 HydrophobicContact CG1-CZ 4Å; V26-L61 HydrophobicContact CG2-CD2 3.96Å
27Y94.1Very high92.9Very high32 Ų3269.1 Ų69.113%0.12535%0.347CS..Hα-helixtrans-60.7-47.9174.7174-101.8000112A23 L24 Y29 L30 L31 A39 L43 I52 L54A23-Y27 PolarHBondContact O-N 2.92Å; L24-Y27 PolarHBondContact O-N 3.23Å; Y27-Y29 VanDerWaalsContact C-N 3.31Å; Y27-Y29 PolarHBondContact O-N 3.41Å; Y27-L30 PolarHBondContact O-N 3.16Å; Y27-L31 HydrophobicContact CD1-CD1 4.08Å; Y27-L31 HydrophobicContact CE1-CD1 3.38Å; Y27-L31 HydrophobicContact CE1-CG 4.13Å; Y27-L31 HydrophobicContact CE2-CD1 4.33Å; Y27-L31 HydrophobicContact CE2-CD2 4.38Å; Y27-L31 HydrophobicContact CE2-CG 4.29Å; Y27-L31 PolarHBondContact O-N 2.93Å; Y27-A39 HydrophobicContact CD2-CB 3.77Å; Y27-A39 WeakPolarHBondContact CD2-O 3.42Å; Y27-A39 HydrophobicContact CE2-CB 3.62Å; Y27-A39 WeakPolarHBondContact CE2-O 3.14Å; Y27-L43 HydrophobicContact CD2-CD1 3.66Å; Y27-L43 HydrophobicContact CD2-CD2 3.76Å; Y27-L43 HydrophobicContact CD2-CG 3.5Å; Y27-L43 HydrophobicContact CE1-CD1 4.32Å; Y27-L43 HydrophobicContact CE2-CD1 3.26Å; Y27-L43 HydrophobicContact CE2-CD2 4.28Å; Y27-L43 HydrophobicContact CE2-CG 3.64Å; Y27-L43 HydrophobicContact CG-CD1 4.32Å; Y27-L43 HydrophobicContact CG-CD2 3.95Å; Y27-L43 HydrophobicContact CG-CG 4.2Å; Y27-I52 HydrophobicContact CD1-CD1 3.89Å; Y27-I52 HydrophobicContact CD1-CG2 3.81Å; Y27-I52 HydrophobicContact CE1-CD1 3.62Å; Y27-I52 HydrophobicContact CE1-CG2 3.71Å; Y27-I52 HydrophobicContact CG-CD1 4.48Å; Y27-L54 HydrophobicContact CD1-CD2 4.18Å; Y27-L54 HydrophobicContact CE1-CD2 3.96Å
28E93.3Very high93.2Very high10 Ų1067.3 Ų67.35%0.04735%0.346CS..Hα-helixtrans-56.2-46.2174.9179.4-176-138.100111.4L24 L30 L31 H32 L54 G55 F60L24-E28 PolarHBondContact O-N 3.4Å; E28-L30 PolarHBondContact O-N 3.4Å; E28-L31 PolarHBondContact O-N 3.39Å; E28-H32 VanDerWaalsContact CG-CE1 3.45Å; E28-H32 WeakPolarHBondContact CG-CE1 3.39Å; E28-H32 PolarHBondContact O-N 3.23Å; E28-H32 IonicContact OE1-CE1 3.71Å; E28-L54 HydrophobicContact CB-CD2 4.36Å; E28-L54 HydrophobicContact CG-CD2 4.47Å; E28-G55 VanDerWaalsContact OE1-CA 3.24Å; E28-G55 WeakPolarHBondContact OE1-CA 3.45Å; E28-G55 PolarHBondContact OE1-N 3.37Å; E28-F60 PolarHBondContact OE2-N 2.83Å; E28-F60 VanDerWaalsContact OE2-N 3.07Å
29Y93.8Very high93.4Very high88 Ų8865 Ų6535%0.34533%0.327SS..Hα-helixtrans-58.9-48.3176.6170.3-102.7000112.1Y25 V26 Y27 L31 H32 V33 L61 H62Y25-Y29 WeakPolarHBondContact O-CB 3.48Å; Y25-Y29 PolarHBondContact O-N 3.25Å; V26-Y29 WeakPolarHBondContact O-CB 3.33Å; V26-Y29 PolarHBondContact O-N 2.67Å; Y27-Y29 VanDerWaalsContact C-N 3.31Å; Y27-Y29 PolarHBondContact O-N 3.41Å; Y29-L31 PolarHBondContact O-N 3.33Å; Y29-H32 PolarHBondContact O-N 2.98Å; Y29-H32 VanDerWaalsContact O-N 3.12Å; Y29-V33 HydrophobicContact CD2-CG1 3.9Å; Y29-V33 HydrophobicContact CE1-CG1 4.17Å; Y29-V33 HydrophobicContact CE1-CG2 4.37Å; Y29-V33 HydrophobicContact CE2-CG1 3.38Å; Y29-V33 HydrophobicContact CG-CG1 4.49Å; Y29-V33 WeakPolarHBondContact O-CG2 3.39Å; Y29-V33 PolarHBondContact O-N 2.93Å; Y29-L61 HydrophobicContact CG-CD2 4.31Å; Y29-H62 HydrophobicContact CD2-CB 4.31Å
30L94.4Very high93.5Very high32 Ų3262.7 Ų62.717%0.16832%0.324CS..Hα-helixtrans-58.6-37178.8-71.7171.1000111.8V26 Y27 E28 V33 A35 A39 F42V26-L30 HydrophobicContact CG1-CD1 4.15Å; V26-L30 HydrophobicContact CG1-CG 4.47Å; V26-L30 VanDerWaalsContact O-CG 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.49Å; V26-L30 PolarHBondContact O-N 3.09Å; Y27-L30 PolarHBondContact O-N 3.16Å; E28-L30 PolarHBondContact O-N 3.4Å; L30-V33 WeakPolarHBondContact O-CG2 3.27Å; L30-A35 HydrophobicContact CB-CB 4.48Å; L30-A35 HydrophobicContact CD2-CB 4.1Å; L30-A35 CarbonylContact O-C 3.54Å; L30-A35 WeakPolarHBondContact O-CA 2.95Å; L30-A35 WeakPolarHBondContact O-CB 3.43Å; L30-A35 PolarHBondContact O-N 3.29Å; L30-A39 HydrophobicContact CB-CB 3.74Å; L30-A39 HydrophobicContact CD1-CB 4.48Å; L30-F42 HydrophobicContact CD1-CB 4.18Å; L30-F42 HydrophobicContact CD1-CD1 4.5Å; L30-F42 HydrophobicContact CD1-CG 4.35Å
31L92.1Very high93.7Very high22 Ų2262.6 Ų62.612%0.11533%0.328CS..Hα-helixtrans-67.4-46.7174.3-68.6179.4000112.2Y27 E28 Y29 V33 G34 Q36 A39 L54Y27-L31 HydrophobicContact CD1-CD1 4.08Å; Y27-L31 HydrophobicContact CE1-CD1 3.38Å; Y27-L31 HydrophobicContact CE1-CG 4.13Å; Y27-L31 HydrophobicContact CE2-CD1 4.33Å; Y27-L31 HydrophobicContact CE2-CD2 4.38Å; Y27-L31 HydrophobicContact CE2-CG 4.29Å; Y27-L31 PolarHBondContact O-N 2.93Å; E28-L31 PolarHBondContact O-N 3.39Å; Y29-L31 PolarHBondContact O-N 3.33Å; L31-V33 VanDerWaalsContact C-N 3.34Å; L31-V33 PolarHBondContact O-N 3.08Å; L31-G34 PolarHBondContact O-N 3.25Å; L31-Q36 VanDerWaalsContact CD2-NE2 3.3Å; L31-Q36 VanDerWaalsContact CD2-OE1 3.26Å; L31-Q36 PolarHBondContact O-NE2 3.37Å; L31-A39 HydrophobicContact CD2-CB 3.75Å; L31-A39 HydrophobicContact CG-CB 4.12Å; L31-L54 HydrophobicContact CD1-CD1 3.61Å; L31-L54 HydrophobicContact CD1-CD2 3.6Å; L31-L54 HydrophobicContact CD1-CG 4.27Å
32H90.6Very high93.9Very high63 Ų6359.2 Ų59.229%0.29231%0.314SS..Hα-helixtrans-66.3-31.9-178-70.6157.2000113.5E28 Y29 G34 P58 G59E28-H32 VanDerWaalsContact CG-CE1 3.45Å; E28-H32 WeakPolarHBondContact CG-CE1 3.39Å; E28-H32 PolarHBondContact O-N 3.23Å; E28-H32 IonicContact OE1-CE1 3.71Å; Y29-H32 PolarHBondContact O-N 2.98Å; Y29-H32 VanDerWaalsContact O-N 3.12Å; H32-G34 PolarHBondContact O-N 3.25Å; H32-P58 VanDerWaalsContact ND1-C 3.33Å; H32-P58 PolarHBondContact ND1-O 3.33Å; H32-G59 WeakPolarHBondContact ND1-CA 3.41Å; H32-G59 PolarHBondContact ND1-N 3.45Å
33V93.1Very high93.9Very high77 Ų7756.2 Ų56.247%0.46730%0.298SS..THydrogen-bonded Turntrans-81.21.7173.8-56.60000113.6Y29 L30 L31 A35Y29-V33 HydrophobicContact CD2-CG1 3.9Å; Y29-V33 HydrophobicContact CE1-CG1 4.17Å; Y29-V33 HydrophobicContact CE1-CG2 4.37Å; Y29-V33 HydrophobicContact CE2-CG1 3.38Å; Y29-V33 HydrophobicContact CG-CG1 4.49Å; Y29-V33 WeakPolarHBondContact O-CG2 3.39Å; Y29-V33 PolarHBondContact O-N 2.93Å; L30-V33 WeakPolarHBondContact O-CG2 3.27Å; L31-V33 VanDerWaalsContact C-N 3.34Å; L31-V33 PolarHBondContact O-N 3.08Å; V33-A35 HydrophobicContact CG2-CB 3.96Å
34G92.3Very high93.8Very high54 Ų5459.3 Ų59.356%0.55732%0.319SS*.THydrogen-bonded Turntrans82.57.6178.600000115L31 H32 Q36L31-G34 PolarHBondContact O-N 3.25Å; H32-G34 PolarHBondContact O-N 3.25Å; G34-Q36 PolarHBondContact O-N 3.17Å
35A94.6Very high93.9Very high29 Ų2964.7 Ų64.724%0.2434%0.343CS..  trans-82.15417900000112.4L30 V33 K37 S38 A39L30-A35 HydrophobicContact CB-CB 4.48Å; L30-A35 HydrophobicContact CD2-CB 4.1Å; L30-A35 CarbonylContact O-C 3.54Å; L30-A35 WeakPolarHBondContact O-CA 2.95Å; L30-A35 WeakPolarHBondContact O-CB 3.43Å; L30-A35 PolarHBondContact O-N 3.29Å; V33-A35 HydrophobicContact CG2-CB 3.96Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 2.93Å; A35-S38 PolarHBondContact O-N 2.92Å; A35-S38 VanDerWaalsContact O-N 3.16Å; A35-A39 PolarHBondContact O-N 3.42Å
36Q93.3Very high93.9Very high98 Ų9865.3 Ų65.346%0.45835%0.349SS..Hα-helixtrans-56-42.8-173-64.8-67.8-48.800113.3L31 G34 A39 Q40L31-Q36 VanDerWaalsContact CD2-NE2 3.3Å; L31-Q36 VanDerWaalsContact CD2-OE1 3.26Å; L31-Q36 PolarHBondContact O-NE2 3.37Å; G34-Q36 PolarHBondContact O-N 3.17Å; Q36-A39 PolarHBondContact O-N 3.27Å; Q36-Q40 PolarHBondContact O-N 3.39Å; Q36-Q40 VanDerWaalsContact O-N 3.15Å
37K95.6Very high93.8Very high181 Ų18173.3 Ų73.379%0.78738%0.375SS*.Hα-helixtrans-65.3-45.4179.1-66.9-176.5-179.3179.90111.5A35 A39 Q40 T41A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 2.93Å; K37-A39 VanDerWaalsContact C-N 3.32Å; K37-A39 PolarHBondContact O-N 3.32Å; K37-Q40 PolarHBondContact O-N 3.35Å; K37-T41 PolarHBondContact O-N 2.96Å; K37-T41 PolarHBondContact O-OG1 3.16Å
38S96.5Very high93.7Very high67 Ų6774.2 Ų74.247%0.46938%0.378SS..Hα-helixtrans-63.4-38.7177.2-54.80000111.7A35 Q40 T41 F42A35-S38 PolarHBondContact O-N 2.92Å; A35-S38 VanDerWaalsContact O-N 3.16Å; S38-Q40 PolarHBondContact O-N 3.35Å; S38-T41 PolarHBondContact O-N 3.34Å; S38-F42 WeakPolarHBondContact O-CB 3.31Å; S38-F42 PolarHBondContact O-N 3.28Å
39A94.4Very high93.5Very high0 Ų082.3 Ų82.30%042%0.416CS..Hα-helixtrans-60.1-44.7175.900000111.7Y27 L30 L31 A35 Q36 K37 L43Y27-A39 HydrophobicContact CD2-CB 3.77Å; Y27-A39 WeakPolarHBondContact CD2-O 3.42Å; Y27-A39 HydrophobicContact CE2-CB 3.62Å; Y27-A39 WeakPolarHBondContact CE2-O 3.14Å; L30-A39 HydrophobicContact CB-CB 3.74Å; L30-A39 HydrophobicContact CD1-CB 4.48Å; L31-A39 HydrophobicContact CD2-CB 3.75Å; L31-A39 HydrophobicContact CG-CB 4.12Å; A35-A39 PolarHBondContact O-N 3.42Å; Q36-A39 PolarHBondContact O-N 3.27Å; K37-A39 VanDerWaalsContact C-N 3.32Å; K37-A39 PolarHBondContact O-N 3.32Å; A39-L43 PolarHBondContact O-N 3.24Å
40Q92.3Very high93.2Very high136 Ų13683.1 Ų83.164%0.63642%0.422SS*.Hα-helixtrans-67.6-45.6177.2-71.4-166.8-4.600112.7Q36 K37 S38 F42 L43 S44Q36-Q40 PolarHBondContact O-N 3.39Å; Q36-Q40 VanDerWaalsContact O-N 3.15Å; K37-Q40 PolarHBondContact O-N 3.35Å; S38-Q40 PolarHBondContact O-N 3.35Å; Q40-F42 VanDerWaalsContact C-N 3.29Å; Q40-F42 PolarHBondContact O-N 3.36Å; Q40-L43 PolarHBondContact O-N 2.92Å; Q40-S44 PolarHBondContact O-N 3.48Å; Q40-S44 VanDerWaalsContact O-N 3.16Å
41T96.1Very high92.6Very high68 Ų6889.2 Ų89.242%0.41746%0.455SS..Hα-helixtrans-58.5-44.2176.2-60.20000110.9K37 S38 L43 S44 E45K37-T41 PolarHBondContact O-N 2.96Å; K37-T41 PolarHBondContact O-OG1 3.16Å; S38-T41 PolarHBondContact O-N 3.34Å; T41-L43 PolarHBondContact O-N 2.86Å; T41-S44 PolarHBondContact O-N 3.16Å; T41-S44 VanDerWaalsContact O-N 3.09Å; T41-S44 PolarHBondContact O-OG 3.46Å; T41-E45 HydrophobicContact CG2-CG 4.22Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.32Å; T41-E45 WeakPolarHBondContact O-CG 3.32Å; T41-E45 PolarHBondContact O-N 3.36Å
42F95.8Very high92.1Very high48 Ų4890.9 Ų90.921%0.21146%0.463CS..Hα-helixtrans-56.7-47.2178.5176.2-109.2000112.7A23 V26 L30 S38 Q40 S44 E45 I46A23-F42 HydrophobicContact CB-CE1 4.27Å; A23-F42 HydrophobicContact CB-CZ 4.1Å; A23-F42 WeakPolarHBondContact O-CE1 3.33Å; V26-F42 HydrophobicContact CB-CE1 4.3Å; V26-F42 HydrophobicContact CB-CZ 4.29Å; V26-F42 HydrophobicContact CG1-CE1 4.09Å; V26-F42 HydrophobicContact CG1-CE2 4.4Å; V26-F42 HydrophobicContact CG1-CZ 4Å; L30-F42 HydrophobicContact CD1-CB 4.18Å; L30-F42 HydrophobicContact CD1-CD1 4.5Å; L30-F42 HydrophobicContact CD1-CG 4.35Å; S38-F42 WeakPolarHBondContact O-CB 3.31Å; S38-F42 PolarHBondContact O-N 3.28Å; Q40-F42 VanDerWaalsContact C-N 3.29Å; Q40-F42 PolarHBondContact O-N 3.36Å; F42-S44 VanDerWaalsContact C-N 3.3Å; F42-S44 PolarHBondContact O-N 3.03Å; F42-E45 PolarHBondContact O-N 3.07Å; F42-I46 HydrophobicContact CD1-CD1 4.27Å; F42-I46 HydrophobicContact CD2-CG2 4.33Å; F42-I46 HydrophobicContact CE1-CD1 3.76Å; F42-I46 HydrophobicContact CE2-CD1 4.48Å; F42-I46 HydrophobicContact CE2-CG2 3.97Å; F42-I46 HydrophobicContact CZ-CD1 3.89Å; F42-I46 HydrophobicContact CZ-CG2 4.33Å; F42-I46 WeakPolarHBondContact O-CG1 3.1Å; F42-I46 PolarHBondContact O-N 3.36Å; F42-I46 VanDerWaalsContact O-N 3.16Å
43L93.3Very high91.6Very high31 Ų3193.3 Ų93.316%0.16248%0.482CS..Hα-helixtrans-62.5-37.8176.6-67.6-178.5000112.7Y27 A39 Q40 T41 R47 W48 I52Y27-L43 HydrophobicContact CD2-CD1 3.66Å; Y27-L43 HydrophobicContact CD2-CD2 3.76Å; Y27-L43 HydrophobicContact CD2-CG 3.5Å; Y27-L43 HydrophobicContact CE1-CD1 4.32Å; Y27-L43 HydrophobicContact CE2-CD1 3.26Å; Y27-L43 HydrophobicContact CE2-CD2 4.28Å; Y27-L43 HydrophobicContact CE2-CG 3.64Å; Y27-L43 HydrophobicContact CG-CD1 4.32Å; Y27-L43 HydrophobicContact CG-CD2 3.95Å; Y27-L43 HydrophobicContact CG-CG 4.2Å; A39-L43 PolarHBondContact O-N 3.24Å; Q40-L43 PolarHBondContact O-N 2.92Å; T41-L43 PolarHBondContact O-N 2.86Å; L43-R47 PolarHBondContact O-N 3.26Å; L43-W48 HydrophobicContact CB-CB 4.16Å; L43-W48 HydrophobicContact CD2-CB 3.71Å; L43-W48 HydrophobicContact CD2-CD2 4.39Å; L43-W48 HydrophobicContact CD2-CG 3.72Å; L43-W48 HydrophobicContact CG-CB 4.49Å; L43-W48 PolarHBondContact O-N 2.86Å; L43-I52 HydrophobicContact CD1-CD1 3.37Å; L43-I52 HydrophobicContact CD2-CD1 3.86Å; L43-I52 HydrophobicContact CG-CD1 4.27Å
44S92.8Very high91.1Very high82 Ų8294.2 Ų94.257%0.57348%0.484SS*.Hα-helixtrans-68.5-39.217971.60000112.3Q40 T41 F42 R47Q40-S44 PolarHBondContact O-N 3.48Å; Q40-S44 VanDerWaalsContact O-N 3.16Å; T41-S44 PolarHBondContact O-N 3.16Å; T41-S44 VanDerWaalsContact O-N 3.09Å; T41-S44 PolarHBondContact O-OG 3.46Å; F42-S44 VanDerWaalsContact C-N 3.3Å; F42-S44 PolarHBondContact O-N 3.03Å; S44-R47 PolarHBondContact O-N 2.82Å
45E95.4Very high90.5Very high142 Ų14293.6 Ų93.666%0.66448%0.477SS*.Hα-helixtrans-68.5-42.1-179-75.6-178.9-174.800112T41 F42 R47T41-E45 HydrophobicContact CG2-CG 4.22Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.32Å; T41-E45 WeakPolarHBondContact O-CG 3.32Å; T41-E45 PolarHBondContact O-N 3.36Å; F42-E45 PolarHBondContact O-N 3.07Å; E45-R47 PolarHBondContact O-N 3.12Å
46I93.5Very high89.9Confident71 Ų71100.3 Ų100.336%0.36450%0.504SS..THydrogen-bonded Turntrans-81.80.6178.573.4-177.3000112.9A23 F42 W48A23-I46 HydrophobicContact CB-CD1 3.98Å; F42-I46 HydrophobicContact CD1-CD1 4.27Å; F42-I46 HydrophobicContact CD2-CG2 4.33Å; F42-I46 HydrophobicContact CE1-CD1 3.76Å; F42-I46 HydrophobicContact CE2-CD1 4.48Å; F42-I46 HydrophobicContact CE2-CG2 3.97Å; F42-I46 HydrophobicContact CZ-CD1 3.89Å; F42-I46 HydrophobicContact CZ-CG2 4.33Å; F42-I46 WeakPolarHBondContact O-CG1 3.1Å; F42-I46 PolarHBondContact O-N 3.36Å; F42-I46 VanDerWaalsContact O-N 3.16Å; I46-W48 VanDerWaalsContact C-N 3.35Å; I46-W48 HydrophobicContact CD1-CB 4.1Å; I46-W48 HydrophobicContact CD1-CD2 4.36Å; I46-W48 HydrophobicContact CD1-CE3 3.73Å; I46-W48 HydrophobicContact CG1-CB 3.87Å; I46-W48 HydrophobicContact CG1-CE3 4.4Å; I46-W48 PolarHBondContact O-N 3.46Å
47R92.5Very high89.3Confident208 Ų20899.8 Ų99.879%0.78551%0.509SS*.THydrogen-bonded Turntrans5153.6-175.2-56.7-178.3179.5-166.6-1111.4L43 S44 E45 E49L43-R47 PolarHBondContact O-N 3.26Å; S44-R47 PolarHBondContact O-N 2.82Å; E45-R47 PolarHBondContact O-N 3.12Å; R47-E49 PolarHBondContact O-N 3.39Å
48W93.2Very high88.4Confident51 Ų5194.5 Ų94.519%0.19349%0.493CS..  trans-72.6115.5-177.8-169.6-93.8000111.1E20 A23 L24 L43 I46 K50E20-W48 HydrophobicContact CB-CH2 4.25Å; E20-W48 HydrophobicContact CB-CZ3 4.43Å; E20-W48 WeakPolarHBondContact O-CH2 3.31Å; A23-W48 HydrophobicContact CB-CE3 4.39Å; A23-W48 HydrophobicContact CB-CZ3 3.91Å; L24-W48 HydrophobicContact CB-CH2 4.43Å; L24-W48 HydrophobicContact CB-CZ2 4.42Å; L24-W48 HydrophobicContact CD1-CZ2 4.39Å; L43-W48 HydrophobicContact CB-CB 4.16Å; L43-W48 HydrophobicContact CD2-CB 3.71Å; L43-W48 HydrophobicContact CD2-CD2 4.39Å; L43-W48 HydrophobicContact CD2-CG 3.72Å; L43-W48 HydrophobicContact CG-CB 4.49Å; L43-W48 PolarHBondContact O-N 2.86Å; I46-W48 VanDerWaalsContact C-N 3.35Å; I46-W48 HydrophobicContact CD1-CB 4.1Å; I46-W48 HydrophobicContact CD1-CD2 4.36Å; I46-W48 HydrophobicContact CD1-CE3 3.73Å; I46-W48 HydrophobicContact CG1-CB 3.87Å; I46-W48 HydrophobicContact CG1-CE3 4.4Å; I46-W48 PolarHBondContact O-N 3.46Å; W48-K50 HydrophobicContact CZ2-CB 3.91Å; W48-K50 HydrophobicContact CZ2-CD 4.38Å; W48-K50 HydrophobicContact CZ2-CG 4.45Å; W48-K50 PolarHBondContact NE1-O 2.75Å
49E87.8Confident88.1Confident181 Ų18191.6 Ų91.685%0.84647%0.473SS*.  trans-109.50-177.1-67.6176.9-175.600113.4R47R47-E49 PolarHBondContact O-N 3.39Å
50K87.4Confident87.9Confident105 Ų10595.9 Ų95.946%0.45749%0.492SS..SBendtrans-93.2148.8-174.8-53.4-172.4-171-167.30111.5E20 W48E20-K50 IonicContact OE1-NZ 2.68Å; E20-K50 PolarHBondContact OE1-NZ 3.32Å; E20-K50 IonicContact OE2-NZ 2.65Å; E20-K50 PolarHBondContact OE2-NZ 3.48Å; W48-K50 HydrophobicContact CZ2-CB 3.91Å; W48-K50 HydrophobicContact CZ2-CD 4.38Å; W48-K50 HydrophobicContact CZ2-CG 4.45Å; W48-K50 PolarHBondContact NE1-O 2.75Å
51N83.3Confident88Confident160 Ų16091.7 Ų91.786%0.85647%0.474SS*.  trans-59.7141173.9-70.8-60000111.4
52I81.1Confident87.8Confident57 Ų5792.1 Ų92.129%0.29247%0.471SS..  trans-109.5121.2-178.4-54.6176000109.2Y27 L43 L54Y27-I52 HydrophobicContact CD1-CD1 3.89Å; Y27-I52 HydrophobicContact CD1-CG2 3.81Å; Y27-I52 HydrophobicContact CE1-CD1 3.62Å; Y27-I52 HydrophobicContact CE1-CG2 3.71Å; Y27-I52 HydrophobicContact CG-CD1 4.48Å; L43-I52 HydrophobicContact CD1-CD1 3.37Å; L43-I52 HydrophobicContact CD2-CD1 3.86Å; L43-I52 HydrophobicContact CG-CD1 4.27Å; I52-L54 HydrophobicContact CG2-CD2 3.93Å; I52-L54 HydrophobicContact CG2-CG 4.33Å
53T80.1Confident87.6Confident114 Ų11492.5 Ų92.570%0.69948%0.48SS*.  trans-105.3119.7168.553.70000108.2
54L81.9Confident87.7Confident96 Ų9698.5 Ų98.550%0.50350%0.5SS..  trans-89.9137.4178.4-62.4172.9000110.3Y27 E28 L31 I52Y27-L54 HydrophobicContact CD1-CD2 4.18Å; Y27-L54 HydrophobicContact CE1-CD2 3.96Å; E28-L54 HydrophobicContact CB-CD2 4.36Å; E28-L54 HydrophobicContact CG-CD2 4.47Å; L31-L54 HydrophobicContact CD1-CD1 3.61Å; L31-L54 HydrophobicContact CD1-CD2 3.6Å; L31-L54 HydrophobicContact CD1-CG 4.27Å; I52-L54 HydrophobicContact CG2-CD2 3.93Å; I52-L54 HydrophobicContact CG2-CG 4.33Å
55G79.4Confident87.9Confident40 Ų40101.3 Ų101.341%0.41250%0.498SS..  trans-86.4179.6171.400000112.3E28E28-G55 VanDerWaalsContact OE1-CA 3.24Å; E28-G55 WeakPolarHBondContact OE1-CA 3.45Å; E28-G55 PolarHBondContact OE1-N 3.37Å
56E82.3Confident87.8Confident171 Ų17197.4 Ų97.480%0.79949%0.486SS*.SBendtrans-72142174.3-70.3-71.8154.600111G59E56-G59 PolarHBondContact O-N 3.49Å; E56-G59 VanDerWaalsContact O-N 3.08Å
57P80.6Confident87.8Confident87 Ų8798 Ų9857%0.56549%0.493SS*.THydrogen-bonded Turntrans-60.8144.2173.125.3-32.9000110.8
58P77.4Confident87.9Confident69 Ų6992.7 Ų92.745%0.44848%0.476SS..THydrogen-bonded Turncis-84.95.41434-36.6000115.9H32 H62H32-P58 VanDerWaalsContact ND1-C 3.33Å; H32-P58 PolarHBondContact ND1-O 3.33Å; P58-H62 HydrophobicContact CB-CB 4.36Å; P58-H62 WeakPolarHBondContact O-CB 3.39Å
59G88.8Confident87.9Confident6 Ų696.3 Ų96.36%0.06249%0.49CS..  trans86.9165.1-178.700000114H32 E56 S63H32-G59 WeakPolarHBondContact ND1-CA 3.41Å; H32-G59 PolarHBondContact ND1-N 3.45Å; E56-G59 PolarHBondContact O-N 3.49Å; E56-G59 VanDerWaalsContact O-N 3.08Å; G59-S63 PolarHBondContact O-N 3.37Å; G59-S63 PolarHBondContact O-OG 3.12Å
60F91.8Very high88.2Confident91 Ų9189.8 Ų89.840%0.39946%0.461SS..Hα-helixtrans-67.6-48.7-172.8178.5-92.4000112.3Y25 E28 H62 S63 W64Y25-F60 HydrophobicContact CD1-CB 3.7Å; Y25-F60 AromaticContact CD1-CD1 3.8Å; Y25-F60 HydrophobicContact CD1-CD1 3.8Å; Y25-F60 HydrophobicContact CD1-CG 4.01Å; Y25-F60 AromaticContact CD2-CD1 3.52Å; Y25-F60 HydrophobicContact CD2-CD1 3.52Å; Y25-F60 AromaticContact CD2-CE1 3.88Å; Y25-F60 HydrophobicContact CD2-CE1 3.88Å; Y25-F60 HydrophobicContact CD2-CG 4.48Å; Y25-F60 HydrophobicContact CE1-CB 3.73Å; Y25-F60 AromaticContact CE1-CD1 3.72Å; Y25-F60 HydrophobicContact CE1-CD1 3.72Å; Y25-F60 HydrophobicContact CE1-CE1 4.49Å; Y25-F60 AromaticContact CE1-CG 3.74Å; Y25-F60 HydrophobicContact CE1-CG 3.74Å; Y25-F60 AromaticContact CE2-CD1 3.4Å; Y25-F60 HydrophobicContact CE2-CD1 3.4Å; Y25-F60 VanDerWaalsContact CE2-CD1 3.4Å; Y25-F60 AromaticContact CE2-CE1 3.48Å; Y25-F60 HydrophobicContact CE2-CE1 3.48Å; Y25-F60 VanDerWaalsContact CE2-CE1 3.48Å; Y25-F60 HydrophobicContact CE2-CG 4.22Å; Y25-F60 HydrophobicContact CE2-CZ 4.34Å; Y25-F60 HydrophobicContact CG-CB 4.33Å; Y25-F60 AromaticContact CG-CD1 3.72Å; Y25-F60 HydrophobicContact CG-CD1 3.72Å; Y25-F60 HydrophobicContact CG-CG 4.39Å; Y25-F60 AromaticContact CZ-CD1 3.51Å; Y25-F60 AromaticContact CZ-CE1 3.83Å; Y25-F60 AromaticContact CZ-CG 3.84Å; E28-F60 PolarHBondContact OE2-N 2.83Å; E28-F60 VanDerWaalsContact OE2-N 3.07Å; F60-H62 VanDerWaalsContact C-N 3.35Å; F60-H62 PolarHBondContact O-N 3.35Å; F60-S63 PolarHBondContact O-N 3.29Å; F60-W64 AromaticContact CE1-CD1 3.92Å; F60-W64 HydrophobicContact CE1-CG 4.39Å; F60-W64 AromaticContact CE2-CD1 3.53Å; F60-W64 AromaticContact CE2-NE1 3.9Å; F60-W64 AromaticContact CZ-CD1 3.35Å; F60-W64 HydrophobicContact CZ-CG 4.17Å; F60-W64 AromaticContact CZ-NE1 3.71Å; F60-W64 PolarHBondContact O-N 3.41Å
61L93.6Very high88.4Confident48 Ų4887.3 Ų87.325%0.25145%0.452SS..Hα-helixtrans-60.2-45.2-175.6-173.862000111.9L22 V26 Y29 W65L22-L61 HydrophobicContact CD1-CD1 4.39Å; V26-L61 HydrophobicContact CG2-CD2 3.96Å; Y29-L61 HydrophobicContact CG-CD2 4.31Å; L61-W65 WeakPolarHBondContact O-CB 3.33Å; L61-W65 PolarHBondContact O-N 3.39Å
62H92.1Very high88.8Confident76 Ų7683.6 Ų83.635%0.35243%0.426SS..Hα-helixtrans-63.5-48-178.6-173.278.5000111.2Y29 P58 F60 W64 W65 C66Y29-H62 HydrophobicContact CD2-CB 4.31Å; P58-H62 HydrophobicContact CB-CB 4.36Å; P58-H62 WeakPolarHBondContact O-CB 3.39Å; F60-H62 VanDerWaalsContact C-N 3.35Å; F60-H62 PolarHBondContact O-N 3.35Å; H62-W64 PolarHBondContact O-N 2.92Å; H62-W65 PolarHBondContact O-N 2.87Å; H62-C66 PolarHBondContact O-N 3.05Å; H62-C66 PolarHBondContact O-SG 2.75Å
63S92.1Very high89.3Confident56 Ų5681 Ų8139%0.39241%0.414SS..Hα-helixtrans-59.3-46.7-179.9-54.50000111.7G59 F60 C66 V67G59-S63 PolarHBondContact O-N 3.37Å; G59-S63 PolarHBondContact O-OG 3.12Å; F60-S63 PolarHBondContact O-N 3.29Å; S63-C66 PolarHBondContact O-N 2.65Å; S63-V67 PolarHBondContact O-N 3.25Å
64W95.2Very high89.6Confident157 Ų15775.6 Ų75.660%0.59538%0.38SS*.Hα-helixtrans-68.6-38.8178.8-114.498.7000112.7F60 H62 V67 F68F60-W64 AromaticContact CE1-CD1 3.92Å; F60-W64 HydrophobicContact CE1-CG 4.39Å; F60-W64 AromaticContact CE2-CD1 3.53Å; F60-W64 AromaticContact CE2-NE1 3.9Å; F60-W64 AromaticContact CZ-CD1 3.35Å; F60-W64 HydrophobicContact CZ-CG 4.17Å; F60-W64 AromaticContact CZ-NE1 3.71Å; F60-W64 PolarHBondContact O-N 3.41Å; H62-W64 PolarHBondContact O-N 2.92Å; W64-V67 PolarHBondContact O-N 3.27Å; W64-F68 WeakPolarHBondContact O-CB 3.49Å; W64-F68 PolarHBondContact O-N 2.92Å
65W95.6Very high89.9Confident141 Ų14171.6 Ų71.653%0.53436%0.361SS..Hα-helixtrans-64.4-40177.1-176.7-105000112L61 H62 V67 F68 W69L61-W65 WeakPolarHBondContact O-CB 3.33Å; L61-W65 PolarHBondContact O-N 3.39Å; H62-W65 PolarHBondContact O-N 2.87Å; W65-V67 PolarHBondContact O-N 3.1Å; W65-F68 AromaticContact CE3-CD1 3.86Å; W65-F68 HydrophobicContact CE3-CD1 3.86Å; W65-F68 HydrophobicContact CE3-CE1 4.48Å; W65-F68 HydrophobicContact CH2-CD1 4.08Å; W65-F68 AromaticContact CH2-CE1 3.99Å; W65-F68 HydrophobicContact CH2-CE1 3.99Å; W65-F68 AromaticContact CZ3-CD1 3.6Å; W65-F68 HydrophobicContact CZ3-CD1 3.6Å; W65-F68 AromaticContact CZ3-CE1 3.76Å; W65-F68 HydrophobicContact CZ3-CE1 3.76Å; W65-F68 PolarHBondContact O-N 2.85Å; W65-W69 HydrophobicContact CZ2-CE3 4.25Å; W65-W69 VanDerWaalsContact O-CB 3.27Å; W65-W69 WeakPolarHBondContact O-CB 3.42Å; W65-W69 PolarHBondContact O-N 3Å
66C93.3Very high89.8Confident61 Ų6172.4 Ų72.441%0.41236%0.359SS..Hα-helixtrans-58.9-46.9174.8-72.70000111.8H62 S63 W69 D70H62-C66 PolarHBondContact O-N 3.05Å; H62-C66 PolarHBondContact O-SG 2.75Å; S63-C66 PolarHBondContact O-N 2.65Å; C66-W69 PolarHBondContact O-N 2.68Å; C66-D70 VanDerWaalsContact O-CB 3.31Å; C66-D70 WeakPolarHBondContact O-CB 3.31Å; C66-D70 PolarHBondContact O-N 3.15Å
67V93.6Very high89.8Confident83 Ų8371.6 Ų71.650%0.50336%0.355SS..Hα-helixtrans-64.6-44.7177.6175.90000111.2S63 W64 W65 W69 D70 L71S63-V67 PolarHBondContact O-N 3.25Å; W64-V67 PolarHBondContact O-N 3.27Å; W65-V67 PolarHBondContact O-N 3.1Å; V67-W69 PolarHBondContact O-N 2.96Å; V67-D70 PolarHBondContact O-N 2.83Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 PolarHBondContact O-N 3.22Å
68F95.1Very high89.7Confident97 Ų9772.6 Ų72.643%0.42535%0.348SS..Hα-helixtrans-59.5-47177.4171.2-96.2000111.7W64 W65 L71 Y72W64-F68 WeakPolarHBondContact O-CB 3.49Å; W64-F68 PolarHBondContact O-N 2.92Å; W65-F68 AromaticContact CE3-CD1 3.86Å; W65-F68 HydrophobicContact CE3-CD1 3.86Å; W65-F68 HydrophobicContact CE3-CE1 4.48Å; W65-F68 HydrophobicContact CH2-CD1 4.08Å; W65-F68 AromaticContact CH2-CE1 3.99Å; W65-F68 HydrophobicContact CH2-CE1 3.99Å; W65-F68 AromaticContact CZ3-CD1 3.6Å; W65-F68 HydrophobicContact CZ3-CD1 3.6Å; W65-F68 AromaticContact CZ3-CE1 3.76Å; W65-F68 HydrophobicContact CZ3-CE1 3.76Å; W65-F68 PolarHBondContact O-N 2.85Å; F68-L71 PolarHBondContact O-N 3.35Å; F68-Y72 VanDerWaalsContact O-CB 3.26Å; F68-Y72 WeakPolarHBondContact O-CB 3.19Å; F68-Y72 PolarHBondContact O-N 3.46Å
69W93.4Very high89.5Confident127 Ų12773 Ų7348%0.48134%0.34SS..Hα-helixtrans-64.2-42.4-179.7-174.3-103.9000111.7W65 C66 V67 L71 Y72 C73W65-W69 HydrophobicContact CZ2-CE3 4.25Å; W65-W69 VanDerWaalsContact O-CB 3.27Å; W65-W69 WeakPolarHBondContact O-CB 3.42Å; W65-W69 PolarHBondContact O-N 3Å; C66-W69 PolarHBondContact O-N 2.68Å; V67-W69 PolarHBondContact O-N 2.96Å; W69-L71 PolarHBondContact O-N 3.43Å; W69-Y72 AromaticContact CE3-CD1 3.96Å; W69-Y72 HydrophobicContact CE3-CD1 3.96Å; W69-Y72 HydrophobicContact CH2-CD1 4.22Å; W69-Y72 HydrophobicContact CH2-CE1 4.16Å; W69-Y72 AromaticContact CZ3-CD1 3.73Å; W69-Y72 HydrophobicContact CZ3-CD1 3.73Å; W69-Y72 AromaticContact CZ3-CE1 3.83Å; W69-Y72 HydrophobicContact CZ3-CE1 3.83Å; W69-Y72 WeakPolarHBondContact O-CB 3.46Å; W69-Y72 PolarHBondContact O-N 3.35Å; W69-C73 PolarHBondContact NE1-SG 2.93Å; W69-C73 WeakPolarHBondContact O-CB 3.4Å; W69-C73 PolarHBondContact O-N 3.45Å; W69-C73 PolarHBondContact O-SG 3.4Å; W69-C73 VanDerWaalsContact O-SG 3.35Å
70D93.3Very high88.7Confident44 Ų4481 Ų8124%0.23538%0.376CS..Hα-helixtrans-61.9-44.6176.6-170.733000111.7C66 V67 Y72 C73 A74 S85 A88C66-D70 VanDerWaalsContact O-CB 3.31Å; C66-D70 WeakPolarHBondContact O-CB 3.31Å; C66-D70 PolarHBondContact O-N 3.15Å; V67-D70 PolarHBondContact O-N 2.83Å; D70-Y72 VanDerWaalsContact C-N 3.33Å; D70-Y72 PolarHBondContact O-N 2.85Å; D70-C73 PolarHBondContact O-N 3.2Å; D70-A74 VanDerWaalsContact O-CB 3.31Å; D70-A74 WeakPolarHBondContact O-CB 3.42Å; D70-A74 PolarHBondContact O-N 2.97Å; D70-S85 WeakPolarHBondContact OD1-CB 3.26Å; D70-S85 PolarHBondContact OD1-N 3.47Å; D70-S85 WeakPolarHBondContact OD2-CB 3.26Å; D70-A88 HydrophobicContact CB-CB 4.43Å; D70-A88 WeakPolarHBondContact OD2-CB 3.42Å
71L92.9Very high88Confident52 Ų5282.4 Ų82.427%0.27239%0.393SS..Hα-helixtrans-64.9-36.8174.4-169.967.2000112.4V67 F68 W69 A74 A75 F91 H92V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 PolarHBondContact O-N 3.22Å; F68-L71 PolarHBondContact O-N 3.35Å; W69-L71 PolarHBondContact O-N 3.43Å; L71-A74 PolarHBondContact O-N 3.5Å; L71-A75 PolarHBondContact O-N 3.31Å; L71-F91 HydrophobicContact CD1-CB 4.29Å; L71-F91 HydrophobicContact CD1-CD1 3.66Å; L71-F91 HydrophobicContact CD1-CE1 4.42Å; L71-F91 HydrophobicContact CD1-CG 4.29Å; L71-F91 HydrophobicContact CD2-CD1 4.45Å; L71-F91 HydrophobicContact CD2-CE1 4.45Å; L71-H92 VanDerWaalsContact CD1-CD2 3.47Å; L71-H92 WeakPolarHBondContact CD1-CD2 3.07Å; L71-H92 WeakPolarHBondContact CD1-NE2 3.3Å; L71-H92 WeakPolarHBondContact CG-NE2 3.44Å; L71-H92 PolarHBondContact O-NE2 2.9Å
72Y90.6Very high87.3Confident82 Ų8282.4 Ų82.432%0.32240%0.396SS..Hα-helixtrans-66.6-41.4176.4179-105.7000112.2F68 W69 D70 A75 R78F68-Y72 VanDerWaalsContact O-CB 3.26Å; F68-Y72 WeakPolarHBondContact O-CB 3.19Å; F68-Y72 PolarHBondContact O-N 3.46Å; W69-Y72 AromaticContact CE3-CD1 3.96Å; W69-Y72 HydrophobicContact CE3-CD1 3.96Å; W69-Y72 HydrophobicContact CH2-CD1 4.22Å; W69-Y72 HydrophobicContact CH2-CE1 4.16Å; W69-Y72 AromaticContact CZ3-CD1 3.73Å; W69-Y72 HydrophobicContact CZ3-CD1 3.73Å; W69-Y72 AromaticContact CZ3-CE1 3.83Å; W69-Y72 HydrophobicContact CZ3-CE1 3.83Å; W69-Y72 WeakPolarHBondContact O-CB 3.46Å; W69-Y72 PolarHBondContact O-N 3.35Å; D70-Y72 VanDerWaalsContact C-N 3.33Å; D70-Y72 PolarHBondContact O-N 2.85Å; Y72-A75 VanDerWaalsContact O-CB 3.24Å; Y72-A75 WeakPolarHBondContact O-CB 3.43Å; Y72-A75 PolarHBondContact O-N 3.05Å; Y72-R78 PolarHBondContact OH-NH1 2.99Å; Y72-R78 PolarHBondContact OH-NH2 3.26Å; Y72-R78 VanDerWaalsContact OH-NH2 3.16Å
73C91.2Very high86.8Confident4 Ų488 Ų883%0.02742%0.422CS..Hα-helixtrans-69.3-35.4175.5-71.10000112W69 D70 A75 R79 C82 H84W69-C73 PolarHBondContact NE1-SG 2.93Å; W69-C73 WeakPolarHBondContact O-CB 3.4Å; W69-C73 PolarHBondContact O-N 3.45Å; W69-C73 PolarHBondContact O-SG 3.4Å; W69-C73 VanDerWaalsContact O-SG 3.35Å; D70-C73 PolarHBondContact O-N 3.2Å; C73-A75 PolarHBondContact O-N 2.83Å; C73-R79 VanDerWaalsContact O-CA 3.26Å; C73-R79 WeakPolarHBondContact O-CA 3.49Å; C73-R79 PolarHBondContact O-N 2.97Å; C73-C82 HydrophobicContact CB-CB 3.72Å; C73-H84 HydrophobicContact CB-CB 3.95Å
74A88.2Confident86.6Confident0 Ų088 Ų880%042%0.416CS..THydrogen-bonded Turntrans-73.8-7.2176.200000114.3D70 L71 H84 A88D70-A74 VanDerWaalsContact O-CB 3.31Å; D70-A74 WeakPolarHBondContact O-CB 3.42Å; D70-A74 PolarHBondContact O-N 2.97Å; L71-A74 PolarHBondContact O-N 3.5Å; A74-H84 HydrophobicContact CB-CB 4.01Å; A74-A88 HydrophobicContact CB-CB 3.6Å
75A87.6Confident86.2Confident11 Ų1182.4 Ų82.49%0.09140%0.401CS..SBendtrans-56.3139.4178.900000110.8L71 Y72 C73 E77 R78 R79L71-A75 PolarHBondContact O-N 3.31Å; Y72-A75 VanDerWaalsContact O-CB 3.24Å; Y72-A75 WeakPolarHBondContact O-CB 3.43Å; Y72-A75 PolarHBondContact O-N 3.05Å; C73-A75 PolarHBondContact O-N 2.83Å; A75-E77 PolarHBondContact O-N 3.49Å; A75-R78 PolarHBondContact O-N 3.15Å; A75-R79 PolarHBondContact O-N 3.37Å
76P77.9Confident85.7Confident58 Ų5880.3 Ų80.338%0.37741%0.408SS..THydrogen-bonded Turntrans-53.6-31.3-173.6-26.233.9000114.4R78P76-R78 VanDerWaalsContact C-N 3.3Å; P76-R78 PolarHBondContact O-N 3.35Å
77E81.3Confident85.6Confident153 Ų15384.1 Ų84.172%0.71542%0.42SS*.THydrogen-bonded Turntrans-76.9-15.8-179-51.777.5-163.600113.4A75A75-E77 PolarHBondContact O-N 3.49Å
78R78.8Confident85.3Confident108 Ų10880.6 Ų80.641%0.40840%0.399SS..THydrogen-bonded Turntrans-127.3-18.5-166.9-63.1172.1-174.8-107.75.1114.2Y72 A75 P76 E80 T81 C82Y72-R78 PolarHBondContact OH-NH1 2.99Å; Y72-R78 PolarHBondContact OH-NH2 3.26Å; Y72-R78 VanDerWaalsContact OH-NH2 3.16Å; A75-R78 PolarHBondContact O-N 3.15Å; P76-R78 VanDerWaalsContact C-N 3.3Å; P76-R78 PolarHBondContact O-N 3.35Å; R78-E80 PolarHBondContact O-N 3.48Å; R78-T81 PolarHBondContact O-N 2.91Å; R78-T81 PolarHBondContact O-OG1 3.29Å; R78-T81 VanDerWaalsContact O-OG1 3.1Å; R78-C82 PolarHBondContact O-N 3.34Å
79R73.6Confident84.9Confident77 Ų7779.7 Ų79.729%0.29140%0.395SS..THydrogen-bonded Turntrans-59.7-18.8-175.468.3-179180-145.6-2.2115.3C73 A75 H84 D93C73-R79 VanDerWaalsContact O-CA 3.26Å; C73-R79 WeakPolarHBondContact O-CA 3.49Å; C73-R79 PolarHBondContact O-N 2.97Å; A75-R79 PolarHBondContact O-N 3.37Å; R79-H84 PolarHBondContact O-CE1 2.97Å; R79-D93 IonicContact NH1-OD1 3.62Å
80E71.6Confident84.7Confident174 Ų17475.3 Ų75.381%0.81339%0.385SS*.THydrogen-bonded Turntrans-77-21.7176.1-61.7-79.515100112.6R78R78-E80 PolarHBondContact O-N 3.48Å
81T76.9Confident84.5Confident122 Ų12279 Ų7975%0.74840%0.4SS*.THydrogen-bonded Turntrans-114.8-14.3-173.660.60000113.9R78R78-T81 PolarHBondContact O-N 2.91Å; R78-T81 PolarHBondContact O-OG1 3.29Å; R78-T81 VanDerWaalsContact O-OG1 3.1Å
82C79.5Confident84.2Confident47 Ų4778.7 Ų78.732%0.31840%0.397SS..SBendtrans-121135.5-178.8-63.30000111.7C73 R78 H84C73-C82 HydrophobicContact CB-CB 3.72Å; R78-C82 PolarHBondContact O-N 3.34Å; C82-H84 PolarHBondContact O-ND1 3.5Å
83E80.9Confident83.9Confident193 Ų19377.8 Ų77.890%0.90240%0.397SS*.  trans-67.6134.2171.7-164.5169.5-169.800109.9
84H88.2Confident83.5Confident56 Ų5686.1 Ų86.126%0.25943%0.43SS..  trans-151.6156.2-172.757.3-81.6000111.5C73 A74 R79 C82C73-H84 HydrophobicContact CB-CB 3.95Å; A74-H84 HydrophobicContact CB-CB 4.01Å; R79-H84 PolarHBondContact O-CE1 2.97Å; C82-H84 PolarHBondContact O-ND1 3.5Å
85S87.3Confident82.9Confident41 Ų4189 Ų8929%0.28745%0.45SS..  trans-72.9148178-175.40000112.2D70 E87 A88 K89D70-S85 WeakPolarHBondContact OD1-CB 3.26Å; D70-S85 PolarHBondContact OD1-N 3.47Å; D70-S85 WeakPolarHBondContact OD2-CB 3.26Å; S85-E87 PolarHBondContact O-N 3.46Å; S85-E87 PolarHBondContact OG-N 2.98Å; S85-A88 PolarHBondContact O-N 3.21Å; S85-K89 PolarHBondContact O-N 2.97Å; S85-K89 VanDerWaalsContact O-N 3.15Å
86S85.6Confident82Confident97 Ų9791.7 Ų91.768%0.67847%0.472SS*.Hα-helixtrans-61.9-28.8171.9530000112.9A90S86-A90 WeakPolarHBondContact O-CB 3.24Å; S86-A90 PolarHBondContact O-N 3.41Å
87E90.4Very high81.3Confident141 Ų14192.9 Ų92.966%0.65949%0.486SS*.Hα-helixtrans-70.3-44.4178-64.2-175.7166.600111.6S85 K89 A90 F91S85-E87 PolarHBondContact O-N 3.46Å; S85-E87 PolarHBondContact OG-N 2.98Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 3.1Å; E87-A90 PolarHBondContact O-N 2.91Å; E87-F91 PolarHBondContact O-N 3.36Å
88A87.9Confident80.3Confident9 Ų989.5 Ų89.57%0.07449%0.485CS..Hα-helixtrans-64.5-39.317700000111.9D70 A74 S85 F91 H92D70-A88 HydrophobicContact CB-CB 4.43Å; D70-A88 WeakPolarHBondContact OD2-CB 3.42Å; A74-A88 HydrophobicContact CB-CB 3.6Å; S85-A88 PolarHBondContact O-N 3.21Å; A88-F91 PolarHBondContact O-N 3.42Å; A88-H92 PolarHBondContact O-CD2 2.91Å; A88-H92 PolarHBondContact O-N 3.16Å
89K87Confident78.8Confident78 Ų7886.9 Ų86.934%0.33949%0.487SS..Hα-helixtrans-60.8-47.9172.5-175.7180-179.1-61.80111.5S85 E87 F91 H92 D93S85-K89 PolarHBondContact O-N 2.97Å; S85-K89 VanDerWaalsContact O-N 3.15Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 3.1Å; K89-F91 VanDerWaalsContact C-N 3.27Å; K89-F91 PolarHBondContact O-N 3.03Å; K89-H92 PolarHBondContact O-N 2.75Å; K89-D93 IonicContact NZ-OD2 2.65Å; K89-D93 PolarHBondContact NZ-OD2 3.32Å; K89-D93 VanDerWaalsContact O-CG 3.31Å; K89-D93 PolarHBondContact O-N 2.94Å
90A88.1Confident77.5Confident34 Ų3489.1 Ų89.128%0.28151%0.511SS..Hα-helixtrans-60.1-38.917900000111.7S86 E87 H92 D93 Y94S86-A90 WeakPolarHBondContact O-CB 3.24Å; S86-A90 PolarHBondContact O-N 3.41Å; E87-A90 PolarHBondContact O-N 2.91Å; A90-H92 PolarHBondContact O-N 2.65Å; A90-D93 PolarHBondContact O-N 2.79Å; A90-Y94 HydrophobicContact CB-CD2 4.23Å; A90-Y94 HydrophobicContact CB-CE2 4.15Å; A90-Y94 WeakPolarHBondContact O-CB 3.23Å; A90-Y94 WeakPolarHBondContact O-CD2 3.31Å; A90-Y94 PolarHBondContact O-N 3.48Å
91F89.1Confident75.8Confident123 Ų12385.4 Ų85.454%0.53950%0.504SS..Hα-helixtrans-60.3-44.1177.9-172.7-90.9000112.8L71 E87 A88 K89 S95L71-F91 HydrophobicContact CD1-CB 4.29Å; L71-F91 HydrophobicContact CD1-CD1 3.66Å; L71-F91 HydrophobicContact CD1-CE1 4.42Å; L71-F91 HydrophobicContact CD1-CG 4.29Å; L71-F91 HydrophobicContact CD2-CD1 4.45Å; L71-F91 HydrophobicContact CD2-CE1 4.45Å; E87-F91 PolarHBondContact O-N 3.36Å; A88-F91 PolarHBondContact O-N 3.42Å; K89-F91 VanDerWaalsContact C-N 3.27Å; K89-F91 PolarHBondContact O-N 3.03Å; F91-S95 VanDerWaalsContact O-CB 3.3Å; F91-S95 WeakPolarHBondContact O-CB 3.47Å; F91-S95 PolarHBondContact O-N 2.9Å; F91-S95 PolarHBondContact O-OG 3.33Å
92H87.3Confident74.5Confident45 Ų4585.9 Ų85.921%0.20851%0.509CS..Hα-helixtrans-66.8-43.5174.2-79.9-67.5000112.2L71 A88 K89 A90 Y94 S95 A96L71-H92 VanDerWaalsContact CD1-CD2 3.47Å; L71-H92 WeakPolarHBondContact CD1-CD2 3.07Å; L71-H92 WeakPolarHBondContact CD1-NE2 3.3Å; L71-H92 WeakPolarHBondContact CG-NE2 3.44Å; L71-H92 PolarHBondContact O-NE2 2.9Å; A88-H92 PolarHBondContact O-CD2 2.91Å; A88-H92 PolarHBondContact O-N 3.16Å; K89-H92 PolarHBondContact O-N 2.75Å; A90-H92 PolarHBondContact O-N 2.65Å; H92-Y94 PolarHBondContact O-N 3.37Å; H92-S95 PolarHBondContact O-N 3.24Å; H92-A96 VanDerWaalsContact O-CB 3.31Å; H92-A96 WeakPolarHBondContact O-CB 3.47Å; H92-A96 PolarHBondContact O-N 2.97Å
93D83.5Confident72.8Confident62 Ų6289.7 Ų89.733%0.33253%0.531SS..Hα-helixtrans-64.9-40.7-178.6-69.6-20.1000111.8R79 K89 A90 A97R79-D93 IonicContact NH1-OD1 3.62Å; K89-D93 IonicContact NZ-OD2 2.65Å; K89-D93 PolarHBondContact NZ-OD2 3.32Å; K89-D93 VanDerWaalsContact O-CG 3.31Å; K89-D93 PolarHBondContact O-N 2.94Å; A90-D93 PolarHBondContact O-N 2.79Å; D93-A97 WeakPolarHBondContact O-CB 3.45Å; D93-A97 PolarHBondContact O-N 3.27Å
94Y82.3Confident71.1Confident180 Ų18088.9 Ų88.971%0.70653%0.532SS*.Hα-helixtrans-69.2-38.7174-76.7-60.8000112.4A90 H92 A96 A97 A98A90-Y94 HydrophobicContact CB-CD2 4.23Å; A90-Y94 HydrophobicContact CB-CE2 4.15Å; A90-Y94 WeakPolarHBondContact O-CB 3.23Å; A90-Y94 WeakPolarHBondContact O-CD2 3.31Å; A90-Y94 PolarHBondContact O-N 3.48Å; H92-Y94 PolarHBondContact O-N 3.37Å; Y94-A96 VanDerWaalsContact C-N 3.34Å; Y94-A97 PolarHBondContact O-N 3.3Å; Y94-A98 VanDerWaalsContact O-CB 3.24Å; Y94-A98 WeakPolarHBondContact O-CB 3.32Å; Y94-A98 PolarHBondContact O-N 3.46Å
95S76.7Confident68.9Low60 Ų6089.2 Ų89.242%0.4255%0.551SS.*Hα-helixtrans-66-38.6176.8-61.60000111.7F91 H92 A98 A99F91-S95 VanDerWaalsContact O-CB 3.3Å; F91-S95 WeakPolarHBondContact O-CB 3.47Å; F91-S95 PolarHBondContact O-N 2.9Å; F91-S95 PolarHBondContact O-OG 3.33Å; H92-S95 PolarHBondContact O-N 3.24Å; S95-A98 PolarHBondContact O-N 3.35Å; S95-A99 PolarHBondContact O-N 3.36Å
96A68.6Low66.8Low67 Ų6795.1 Ų95.155%0.55458%0.579SS**Hα-helixtrans-69.2-35.5174.900000112.2H92 Y94H92-A96 VanDerWaalsContact O-CB 3.31Å; H92-A96 WeakPolarHBondContact O-CB 3.47Å; H92-A96 PolarHBondContact O-N 2.97Å; Y94-A96 VanDerWaalsContact C-N 3.34Å
97A63.7Low64.8Low83 Ų8398.2 Ų98.269%0.68659%0.586SS**Hα-helixtrans-74.7-24.5175.100000113.5D93 Y94D93-A97 WeakPolarHBondContact O-CB 3.45Å; D93-A97 PolarHBondContact O-N 3.27Å; Y94-A97 PolarHBondContact O-N 3.3Å
98A60.5Low62.4Low82 Ų8296.5 Ų96.568%0.67859%0.587SS**Hα-helixtrans-87-10.5177.300000113.6Y94 S95 P100Y94-A98 VanDerWaalsContact O-CB 3.24Å; Y94-A98 WeakPolarHBondContact O-CB 3.32Å; Y94-A98 PolarHBondContact O-N 3.46Å; S95-A98 PolarHBondContact O-N 3.35Å; A98-P100 WeakPolarHBondContact O-CD 3.24Å
99A47Very low60.3Low54 Ų54102.6 Ų102.645%0.44663%0.626SS.*SBendtrans-71123.5168.400000109S95 S101S95-A99 PolarHBondContact O-N 3.36Å; A99-S101 PolarHBondContact O-N 3.48Å
100P44.5Very low58.6Low124 Ų124101.8 Ų101.881%0.80564%0.64SS**  trans-62.9106.3168.726.4-30.9000107.3A98A98-P100 WeakPolarHBondContact O-CD 3.24Å
101S37.2Very low56.4Low95 Ų95108.2 Ų108.266%0.66467%0.67SS**  trans-56.3126.8175.1-83.90000109.5A99 V103A99-S101 PolarHBondContact O-N 3.48Å; S101-V103 PolarHBondContact O-N 2.85Å
102P48.8Very low54.4Low132 Ų132106.1 Ų106.186%0.85768%0.683SS**  trans-80.963170.735.2-32.4000108.4
103V43.9Very low52.2Low128 Ų128111.9 Ų111.978%0.77671%0.712SS**  trans-9497.4165.41740000106.8S101S101-V103 PolarHBondContact O-N 2.85Å
104L46.1Very low50.2Low175 Ų175114.8 Ų114.892%0.91673%0.734SS**  trans-39.3128.5166.7-167.182.4000112.2
105G40.5Very low48.5Very low64 Ų64113 Ų11366%0.6674%0.741SS**  trans154.878160.700000117.6
106N44.3Very low46.8Very low165 Ų165112.6 Ų112.688%0.88275%0.747SS**  trans57.786.6141.1-140.160.6000119.1
107I44.2Very low45.8Very low161 Ų161115.4 Ų115.483%0.82676%0.76SS**  trans-131.3124.9157.6-60.8174.3000108.3
108P38.5Very low45.2Very low105 Ų105117 Ų11768%0.68276%0.76SS**  trans-69.3154.3-178.828.6-33.1000111.9G110P108-G110 PolarHBondContact O-N 2.76Å
109P45.5Very low44.4Very low138 Ų138117.9 Ų117.990%0.89676%0.759SS**SBendtrans-81.9109.8-172.232.4-30.1000110.1
110G50.4Low44.2Very low61 Ų61122 Ų12263%0.62978%0.782SS**  trans14987.1169.700000111.8P108P108-G110 PolarHBondContact O-N 2.76Å
111D41Very low44.5Very low168 Ų168118.3 Ų118.390%0.89877%0.766SS**  trans-173.5123.6132.9-89.8-34000108.6M113D111-M113 PolarHBondContact O-N 3.03Å
112G47.2Very low45.1Very low79 Ų79121.9 Ų121.981%0.81477%0.769SS**PPolyproline II helixtrans-67.9127-173.200000112.2
113M40.8Very low44.7Very low167 Ų167124.4 Ų124.482%0.82377%0.767SS**PPolyproline II helixtrans-95.8132.8165.7-62.9-66.5-83.300108.7D111 V115D111-M113 PolarHBondContact O-N 3.03Å; M113-V115 PolarHBondContact O-N 3.42Å; M113-V115 VanDerWaalsContact O-N 3.15Å
114P43.2Very low44.8Very low123 Ų123125.8 Ų125.880%0.79977%0.765SS**PPolyproline II helixtrans-67.6116.2-178.126.9-32.5000109.8G116P114-G116 VanDerWaalsContact C-N 3.32Å; P114-G116 PolarHBondContact O-N 3.08Å
115V45.3Very low44.4Very low141 Ų141122.4 Ų122.486%0.85575%0.754SS**  trans-62.996.1165.4179.90000107M113M113-V115 PolarHBondContact O-N 3.42Å; M113-V115 VanDerWaalsContact O-N 3.15Å
116G42.2Very low44.8Very low52 Ų52128 Ų12854%0.53676%0.76SS.*PPolyproline II helixtrans-62.7141.1169.900000109.9P114 V118P114-G116 VanDerWaalsContact C-N 3.32Å; P114-G116 PolarHBondContact O-N 3.08Å; G116-V118 PolarHBondContact O-N 3.3Å
117P46.9Very low44.7Very low127 Ų127127.6 Ų127.683%0.82576%0.755SS**PPolyproline II helixtrans-64.9127.9-178.824.9-31.1000110.3
118V51.3Low44.5Very low115 Ų115125.4 Ų125.470%0.69775%0.754SS**PPolyproline II helixtrans-56.7125.6171.8-172.30000108.4G116G116-V118 PolarHBondContact O-N 3.3Å
119P43.1Very low44.4Very low102 Ų102126.2 Ų126.266%0.66276%0.759SS**PPolyproline II helixtrans-63.3133.9177.922.2-29.7000110.2G121P119-G121 PolarHBondContact O-N 2.87Å
120P44Very low44.6Very low141 Ų141131.2 Ų131.292%0.91676%0.76SS**THydrogen-bonded Turntrans-71.693.1179.628.3-30.9000109
121G51Low43.9Very low45 Ų45138.9 Ų138.946%0.46477%0.772SS.*THydrogen-bonded Turntrans178.2-6.9-178.800000115.7P119 F123P119-G121 PolarHBondContact O-N 2.87Å; G121-F123 PolarHBondContact O-N 3.19Å
122F49Very low43.9Very low170 Ų170136.2 Ų136.275%0.74676%0.764SS**SBendtrans-70.5-10.6-174.3-164-101.7000115.2
123F39.9Very low43.7Very low186 Ų186136.6 Ų136.682%0.81677%0.768SS**  trans-124.173.4172.5-72.4-85.5000110.1G121G121-F123 PolarHBondContact O-N 3.19Å
124Q45.8Very low43.7Very low157 Ų157131.8 Ų131.873%0.73476%0.761SS**  trans-85.8133.5156.8-70-68.1-55.900107.9F126Q124-F126 PolarHBondContact O-N 2.74Å
125P39.2Very low43.4Very low104 Ų104132.3 Ų132.368%0.67576%0.764SS**  trans-58.7133.9169.4-14.226.6000108.8M127P125-M127 PolarHBondContact O-N 2.78Å
126F48.5Very low43.5Very low181 Ų181137.1 Ų137.179%0.79477%0.767SS**SBendtrans-69.139.1175.5-160.3-98000112.4Q124Q124-F126 PolarHBondContact O-N 2.74Å
127M40.9Very low43.4Very low157 Ų157140 Ų14077%0.77378%0.777SS**  trans-14194.3179.8-74.1-76140.800107.3P125 P129P125-M127 PolarHBondContact O-N 2.78Å; M127-P129 WeakPolarHBondContact O-CD 3.5Å
128S40Very low43.2Very low115 Ų115140 Ų14080%0.80478%0.777SS**PPolyproline II helixtrans-62.6128.8170.5-54.90000110R130S128-R130 PolarHBondContact O-N 2.95Å
129P38.2Very low42.8Very low121 Ų121142.9 Ų142.979%0.78679%0.787SS**PPolyproline II helixtrans-64.9118161.5-14.929.2000108.3M127 Y131M127-P129 WeakPolarHBondContact O-CD 3.5Å; P129-Y131 PolarHBondContact O-N 2.88Å
130R48.3Very low42.7Very low243 Ų243149.7 Ų149.792%0.91780%0.799SS**PPolyproline II helixtrans-62.7118.6167.3-69.8-178.2175.7-164.71108.7S128S128-R130 PolarHBondContact O-N 2.95Å
131Y35.4Very low42.6Very low222 Ų222150.1 Ų150.187%0.87179%0.793SS**  trans-133.5155149.9-100.6-91.7000109.7P129P129-Y131 PolarHBondContact O-N 2.88Å
132P42.5Very low42Very low113 Ų113153.9 Ų153.973%0.73481%0.809SS**  trans-96.6156.9-148.137.9-34.5000113.4
133G42.6Very low41.8Very low87 Ų87152.9 Ų152.990%0.89781%0.811SS**  trans90.294.1155.700000115.8
134G39.9Very low41.8Very low66 Ų66153.4 Ų153.468%0.6882%0.816SS**  trans-165.6136.116200000109.9R136G134-R136 PolarHBondContact O-N 3.29Å
135P38.2Very low41.1Very low134 Ų134150.2 Ų150.287%0.8782%0.816SS**PPolyproline II helixtrans-73126.2-170.329.5-31.7000110.4
136R47.3Very low41.1Very low241 Ų241153.8 Ų153.891%0.90983%0.829SS**PPolyproline II helixtrans-71.7135.5174.7-87.6-179.8154127.8-5.4110.7G134G134-R136 PolarHBondContact O-N 3.29Å
137P40Very low40.5Very low114 Ų114149 Ų14974%0.7483%0.831SS**PPolyproline II helixtrans-73.1141.7165.429.4-30.3000110.1
138P43.1Very low40.2Very low127 Ų127145.5 Ų145.583%0.82584%0.835SS**PPolyproline II helixtrans-76.5139.1-179.629.7-31.1000111.7
139L41.8Very low40.1Very low174 Ų174147 Ų14791%0.91184%0.839SS**PPolyproline II helixtrans-54.3132.2171.7-74151.9000111.3
140R42Very low40.2Very low245 Ų245147.3 Ų147.393%0.92584%0.841SS**  trans-95.7115.4177.6-147.2-167.2-165.11785.8110.4
141I41.8Very low39.3Very low151 Ų151139 Ų13977%0.77483%0.831SS**  trans-77.2134.8165.9-66.5159000108.1N143I141-N143 PolarHBondContact O-N 2.99Å
142P37.4Very low39.2Very low124 Ų124134.5 Ų134.581%0.80583%0.832SS**SBendtrans-81.6102.8176.331.3-27.9000108.6
143N45.2Very low38.8Very low149 Ų149137.5 Ų137.580%0.79784%0.836SS**  trans160.389.2139.6-161.931.7000109.3I141I141-N143 PolarHBondContact O-N 2.99Å
144Q39.4Very low39.3Very low197 Ų197138.4 Ų138.492%0.92183%0.826SS**  trans-165.3140.7153.9-109.4174.373.500111.1
145A31.7Very low39.1Very low89 Ų89142 Ų14274%0.73683%0.829SS**  trans-77.7151.6-164.100000114.9
146L38.9Very low39.4Very low179 Ų179143.1 Ų143.194%0.93783%0.827SS**  trans37.8123.2153.2-86.686.1000121.6
147G34.9Very low39.9Very low82 Ų82136.8 Ų136.885%0.84582%0.817SS**  126.6120124.600000118.2
148G35.5Very low39.5Very low83 Ų83137.8 Ų137.886%0.85683%0.827SS**  trans107.9118.4142.300000119
149V38.3Very low39.3Very low147 Ų147135.5 Ų135.589%0.89183%0.827SS**  trans-82.8160.3173.3164.20000110.6
150P39.2Very low39.3Very low127 Ų127136.2 Ų136.283%0.82583%0.827SS**  trans-97.5157-155.837.3-30000114.5
151G30.9Very low39.1Very low68 Ų68130.2 Ų130.270%0.70181%0.814SS**  trans156.7131.6161.400000116.2
152S33.5Very low39.6Very low127 Ų127128.7 Ų128.789%0.88881%0.814SS**  trans63.7105.115855.80000120.6
153Q34.1Very low40.1Very low176 Ų176128.3 Ų128.382%0.82281%0.809SS**  trans-89.4156.5141-89.1-95.6-34.800107.7
154P51.2Low39.8Very low106 Ų106132.9 Ų132.969%0.68882%0.815SS**  cis-140.4171.243.536.8-16.5000115.3
155L35.9Very low39.8Very low141 Ų141131.6 Ų131.674%0.73881%0.809SS**  167.2110.2129.4-84.5165.8000112.2
156L44.1Very low40.1Very low158 Ų158136.5 Ų136.583%0.82782%0.817SS**  trans61.9144.2142.5-57.7176.9000123.3
157P58.3Low39.8Very low108 Ų108131 Ų13170%0.70180%0.804SS**  trans-99.3144.9-177.638.5-29.9000112
158S32.9Very low40.1Very low135 Ų135135.7 Ų135.794%0.94480%0.803SS**  trans179.9141.2154.5-84.90000111.4
159G37.5Very low40.9Very low80 Ų80137.7 Ų137.783%0.82580%0.801SS**  trans135.483.3149.600000117
160M43.3Very low40.9Very low189 Ų189136.9 Ų136.993%0.93179%0.792SS**  trans-32137.5152.1-129.392.916100115
161D37.5Very low41.2Very low118 Ų118139.2 Ų139.263%0.63179%0.794SS**  176128.8106-165.8-52000111.9T163D161-T163 PolarHBondContact OD1-N 3.02Å; D161-T163 PolarHBondContact OD1-OG1 2.98Å
162P50.9Low41.8Very low120 Ų120139.7 Ų139.778%0.77980%0.799SS**  trans-95.380.5175.838.9-32.1000113.1
163T48Very low42.4Very low115 Ų115137 Ų13771%0.70679%0.791SS**  trans-146.781.6175.144.10000114.7D161D161-T163 PolarHBondContact OD1-N 3.02Å; D161-T163 PolarHBondContact OD1-OG1 2.98Å
164R39.3Very low42.9Very low245 Ų245134.5 Ų134.593%0.92579%0.79SS**  trans-159.586.3140.5-128.8178.6178.7178.3-0.5112.7
165Q39.2Very low42.4Very low171 Ų171138.9 Ų138.980%0.79980%0.804SS**  trans-78.3123.3158.3-80.7-99.721.200109.6
166Q38.3Very low43Very low191 Ų191140.3 Ų140.389%0.89381%0.807SS**  trans-147.5116146.4-82.6-166.6-21.100102.8
167G33.6Very low42.8Very low65 Ų65143.4 Ų143.467%0.6781%0.807SS**  cis147.4106.227.800000103.7
168H41.1Very low41.7Very low180 Ų180145.8 Ų145.883%0.83381%0.811SS**  trans-75.2155.5178-72.5-89.4000110.7
169P52.7Low42.1Very low124 Ų124145 Ų14581%0.80580%0.801SS**  -134.9139.9118.634.2-21.6000113.4
170N37.5Very low42.7Very low130 Ų130146.1 Ų146.170%0.69579%0.793SS**SBendtrans100.592.1144.1-13945.3000118.7
171M46.2Very low42.9Very low176 Ų176143.3 Ų143.387%0.86779%0.789SS**  trans55.4118.8137.9-59.6-178.7-17400118.5
172G42.1Very low43.2Very low78 Ų78149.5 Ų149.580%0.80480%0.804SS**  cis176.1134.44.900000110.7
173G47.6Very low42.5Very low70 Ų70147.2 Ų147.272%0.72280%0.802SS**  trans57.2132.214800000121.3M175G173-M175 PolarHBondContact O-N 3.28Å
174P43.7Very low42Very low124 Ų124150.6 Ų150.681%0.80581%0.812SS**  trans-67.612616230-30.3000108.9Q176P174-Q176 PolarHBondContact O-N 2.85Å
175M40.5Very low41.8Very low198 Ų198145.1 Ų145.198%0.97581%0.805SS**  trans-56.4103.5170.2-112.4-172.8-175.100109.5G173G173-M175 PolarHBondContact O-N 3.28Å
176Q48.3Very low42.3Very low172 Ų172142.5 Ų142.580%0.80480%0.803SS**  trans-79.2107159.2-79.5-88.12.900108.2P174P174-Q176 PolarHBondContact O-N 2.85Å
177R39.5Very low42.4Very low223 Ų223141.9 Ų141.984%0.84281%0.805SS**  trans178.6120.9158.6-106.2170.3177.4-100.61.5106
178M36.7Very low42.4Very low158 Ų158142.1 Ų142.178%0.77881%0.807SS**  cis-158119.733.7-168.791172.100108.3
179T41.6Very low42.4Very low118 Ų118139.6 Ų139.672%0.72481%0.807SS**  trans-77.5135.5169-450000108.9
180P48.5Very low42.1Very low104 Ų104143 Ų14368%0.67581%0.812SS**  trans-68.7144.7174.928.1-32.6000110.3R182P180-R182 PolarHBondContact O-N 3.28Å; P180-R182 VanDerWaalsContact O-N 3.1Å
181P47.8Very low42.1Very low130 Ų130142.1 Ų142.184%0.84482%0.816SS**  trans-73.5110.3-17129.9-31.9000110.1
182R43.3Very low41.8Very low248 Ų248140.8 Ų140.894%0.93681%0.813SS**  trans-93.496.5166.3-142.1173.7-174.2123.4-1.4107.4P180P180-R182 PolarHBondContact O-N 3.28Å; P180-R182 VanDerWaalsContact O-N 3.1Å
183G36.1Very low41.9Very low72 Ų72143 Ų14374%0.74281%0.813SS**PPolyproline II helixtrans-62.2140.4175.200000111.8
184M39.4Very low41.6Very low186 Ų186150.8 Ų150.892%0.91682%0.821SS**PPolyproline II helixtrans-55.5139-169.5-56.7-178.990.300115.7
185V34.8Very low41.6Very low129 Ų129152.8 Ų152.878%0.78282%0.824SS**PPolyproline II helixtrans-92.6137.5152.9175.20000107.7
186P48.1Very low41.8Very low116 Ų116148.7 Ų148.775%0.75382%0.815SS**  trans-105.9137.4152.332.4-21.3000111.2
187L40.5Very low41.6Very low178 Ų178147.5 Ų147.593%0.93281%0.813SS**  trans-51.4142170.3-92.670.7000113
188G34.1Very low41.5Very low70 Ų70144.2 Ų144.272%0.72281%0.807SS**  trans176.2149.4161.600000112.7
189P42.1Very low41.4Very low128 Ų128143.3 Ų143.383%0.83181%0.805SS**  trans-92.7156.4-137.235.8-35.4000116.6
190Q44.8Very low41Very low195 Ų195148.6 Ų148.691%0.91181%0.814SS**  trans-12.5118.4155.3-163.7172.133.100117.4
191S37.5Very low40.4Very low111 Ų111147.4 Ų147.478%0.77682%0.821SS**  trans-166.1139.7149.759.20000112.5
192D41.4Very low39.9Very low149 Ų149145.1 Ų145.180%0.79782%0.821SS**  trans-50.9159.5-170.1-60.2-87.2000119.4W194D192-W194 PolarHBondContact O-N 3.49Å
193P43.9Very low39.8Very low124 Ų124138.7 Ų138.781%0.80582%0.82SS**SBendtrans-96.469.7-179.939-31000111.8
194W41.7Very low40.1Very low233 Ų233144 Ų14488%0.88383%0.828SS**  trans-156.9134.7156.5-148-141.4000110.4D192D192-W194 PolarHBondContact O-N 3.49Å
195L43.6Very low40.5Very low166 Ų166146.1 Ų146.187%0.86983%0.826SS**  trans95.991.6-178.7-55.7170.2000116.9
196S44.1Very low41.3Very low112 Ų112144 Ų14478%0.78381%0.814SS**  -173.487.5124.31780000109.8
197L44Very low41.4Very low147 Ų147144.4 Ų144.477%0.7782%0.817SS**  trans-91.5144.4147.5-177.269.5000106.1
198Q36.6Very low41.6Very low154 Ų154143.5 Ų143.572%0.7281%0.812SS**  trans79127.7-175.3-56.3126.530.100112.5
199N35.5Very low41.7Very low139 Ų139148.1 Ų148.174%0.74382%0.821SS**  cis-170139.239.9-154.24000111
200Y33.8Very low41.3Very low230 Ų230146.2 Ų146.290%0.90282%0.816SS**  trans23.6134.8144-84.5-107.8000122.7
201G35.5Very low41Very low79 Ų79145.3 Ų145.381%0.81482%0.816SS**  150.299.3126.500000117.6
202G36.6Very low40.8Very low82 Ų82144.2 Ų144.285%0.84582%0.823SS**  trans131.9104.4141.100000118
203A42.1Very low40.4Very low112 Ų112140.6 Ų140.693%0.92682%0.821SS**  trans136.8119.9138.500000113.8
204M42.8Very low40.4Very low184 Ų184141.4 Ų141.491%0.90683%0.826SS**  trans-83.9146.7-171.2-72.2-93.4-151.700114.1
205R47.8Very low40.3Very low231 Ų231133.9 Ų133.987%0.87282%0.82SS**  trans89.6154.1138.4-121.6-170.5161.5-154.1-4.2120.2
206P51.8Low40.1Very low83 Ų83135 Ų13554%0.53982%0.823SS.*  -125.4176.5-70.540-26.1000112.8
207P49.8Very low40.1Very low126 Ų126135.7 Ų135.782%0.81883%0.825SS**  trans-82143177.434.5-32000110.6
208L43.5Very low39.9Very low158 Ų158132.3 Ų132.383%0.82783%0.826SS**  trans-129.3103.8174.2-78.1167.1000110.7
209N36.3Very low40.2Very low167 Ų167133.9 Ų133.989%0.89384%0.836SS**  trans-116136.6147.6-145.127.2000106.8
210A35.3Very low40.3Very low89 Ų89134.6 Ų134.674%0.73684%0.84SS**  trans101.1133.7175.200000118.6
211L37.8Very low40.6Very low176 Ų176132 Ų13292%0.92184%0.838SS**  trans108.390.9156.8-126.277.1000119.3
212G33.6Very low40.7Very low88 Ų88131.7 Ų131.791%0.90784%0.835SS**  53.9118.1124.700000122
213G31.5Very low41.1Very low73 Ų73134.2 Ų134.275%0.75384%0.836SS**  trans-164.7156.116100000112
214P44.6Very low40.8Very low140 Ų140132.7 Ų132.791%0.90983%0.832SS**  -106.6151.7-127.637.1-32.6000116.6
215G39.7Very low40.4Very low75 Ų75128 Ų12877%0.77383%0.831SS**  trans109.694.1151.400000117
216M39.4Very low39.7Very low189 Ų189120.7 Ų120.793%0.93183%0.827SS**  trans178.5125.5140-94.8-78175.100108.8
217P44.1Very low39.3Very low127 Ų127127.5 Ų127.583%0.82584%0.842SS**  trans-95.7147.9-174.436.3-30.6000112.5
218G40.9Very low38.8Very low77 Ų77127.4 Ų127.479%0.79484%0.841SS**  trans171.781.717000000111.9
219M41.7Very low38.2Very low187 Ų187130.5 Ų130.592%0.92184%0.842SS**  trans-69.1142.7173.9-70.5104.9142.700112.4
220N38.8Very low39.1Very low153 Ų153127.5 Ų127.582%0.81883%0.832SS**  -154.5139.8121.1-157.93.5000111.4
221M38.9Very low38.9Very low175 Ų175131.2 Ų131.286%0.86284%0.84SS**  trans-58.1138.9-169.3-60.9157.317100113.3
222G37.6Very low39.5Very low74 Ų74127.5 Ų127.576%0.76383%0.826SS**  91.615773.500000111.5
223P44.6Very low39.5Very low134 Ų134129.5 Ų129.587%0.8782%0.82SS**  cis-116.7156.2-19.138-22.5000110.9
224G36.3Very low39.6Very low81 Ų81133.5 Ų133.584%0.83583%0.825SS**  cis113.2114.841.600000109.1
225G33.6Very low38.9Very low85 Ų85130.8 Ų130.888%0.87681%0.814SS**  trans115.7111.9146.600000118.6
226G34.4Very low39Very low77 Ų77135.1 Ų135.179%0.79482%0.82SS**  trans105.2100.9133.300000117.7
227R42.1Very low38.7Very low227 Ų227131.5 Ų131.586%0.85781%0.813SS**  trans-80.8142.2150.8-64171.8176.1-94.71.9108.4
228P41.1Very low38.7Very low124 Ų124131.7 Ų131.781%0.80581%0.806SS**  trans-137.4141.6135.232.5-16.7000112.7
229W29.1Very low38.5Very low222 Ų222133.7 Ų133.784%0.84180%0.804SS**  trans-97.7171.9163-76.5103000109
230P55.7Low37.9Very low105 Ų105134.5 Ų134.568%0.68280%0.798SS**  -119.4159.9-76.530.1-11.5000111.9
231N30.5Very low37.7Very low167 Ų167132.7 Ų132.789%0.89380%0.798SS**  trans-158.2156.1153.7-135.731.9000112.3
232P50.8Low37.5Very low97 Ų97130 Ų13063%0.6380%0.796SS**  trans-97.5-169.1-149.642-40.2000113.3
233T34.4Very low37.4Very low130 Ų130131 Ų13180%0.79880%0.797SS**  trans105.891.8167.953.10000117.4
234N33.2Very low36.6Very low158 Ų158130.2 Ų130.285%0.84580%0.795SS**  55.1112.7121.7-112.2-23.7000118.7
235A29.6Very low36.9Very low83 Ų83132 Ų13269%0.68679%0.792SS**  172.3123.111700000110.7S237A235-S237 PolarHBondContact O-N 2.89Å
236N42.3Very low37Very low166 Ų166131.7 Ų131.789%0.88879%0.788SS**  trans19.196.9143.4-66.6-20000117.3
237S33.2Very low36.9Very low112 Ų112135.3 Ų135.378%0.78379%0.79SS**  trans-152.7103.3144.8490000110.1A235A235-S237 PolarHBondContact O-N 2.89Å
238I43.2Very low37Very low132 Ų132135.9 Ų135.968%0.67779%0.794SS**  trans-69.6123.9165.1-59160.5000106.1Y240I238-Y240 VanDerWaalsContact C-N 3.25Å; I238-Y240 HydrophobicContact CB-CD2 4.27Å; I238-Y240 HydrophobicContact CG2-CD2 3.76Å; I238-Y240 HydrophobicContact CG2-CE2 4.05Å; I238-Y240 PolarHBondContact O-N 3.33Å
239P37.4Very low36.9Very low118 Ų118135.8 Ų135.877%0.76679%0.791SS**  trans-74.588.1165.329-29.2000108.3S241P239-S241 PolarHBondContact O-N 3.32Å; P239-S241 VanDerWaalsContact O-N 3.1Å
240Y29.6Very low37.8Very low204 Ų204128 Ų12880%0.878%0.779SS**  trans-63.9100.5155-93.9-89.7000107I238 S242I238-Y240 VanDerWaalsContact C-N 3.25Å; I238-Y240 HydrophobicContact CB-CD2 4.27Å; I238-Y240 HydrophobicContact CG2-CD2 3.76Å; I238-Y240 HydrophobicContact CG2-CE2 4.05Å; I238-Y240 PolarHBondContact O-N 3.33Å; Y240-S242 PolarHBondContact O-N 3.2Å
241S33.3Very low37.4Very low116 Ų116129 Ų12981%0.81179%0.786SS**  trans-77.1106.7165.5-68.30000108.5P239P239-S241 PolarHBondContact O-N 3.32Å; P239-S241 VanDerWaalsContact O-N 3.1Å
242S35.7Very low38.2Very low117 Ų117127 Ų12782%0.81878%0.782SS**  trans-60.2137.2174.341.60000112.3Y240Y240-S242 PolarHBondContact O-N 3.2Å
243A35.2Very low37.9Very low95 Ų95126.5 Ų126.579%0.78579%0.794SS**  trans-88.2138.9171.300000111.6
244S28.6Very low38.2Very low118 Ų118124.3 Ų124.383%0.82580%0.797SS**  trans177157.2147.1-83.10000110.9
245P42.9Very low38.8Very low120 Ų120121 Ų12178%0.77980%0.801SS**  -131.3150.5-51.834.4-17.4000112.9
246G34.4Very low39.6Very low77 Ų77120.3 Ų120.379%0.79480%0.801SS**  trans74.6109.2148.500000120.1
247N32.4Very low39.8Very low154 Ų154118.2 Ų118.282%0.82480%0.797SS**  -160111.2128.1-144.333.5000110.2V249N247-V249 PolarHBondContact O-N 2.93Å
248Y43.8Very low40.7Very low239 Ų239119.3 Ų119.394%0.93780%0.801SS**  trans-72.7105.6174.8-122-94000108.9
249V40.1Very low40.8Very low122 Ų122116.6 Ų116.674%0.73981%0.806SS**  trans-140.9111.6159.5-176.10000106.6N247N247-V249 PolarHBondContact O-N 2.93Å
250G47.3Very low41.1Very low58 Ų58116.3 Ų116.360%0.59880%0.802SS**PPolyproline II helixtrans-63.7154.5-178.900000112.4
251P47Very low41.8Very low127 Ų127112.8 Ų112.883%0.82580%0.804SS**PPolyproline II helixtrans-80.9133.4179.81.714.9000111.2
252P48Very low42.7Very low125 Ų125114.6 Ų114.681%0.81280%0.803SS**PPolyproline II helixtrans-68.3142.5167.928.6-30.9000110.2
253G43.2Very low43.1Very low85 Ų85116.5 Ų116.588%0.87680%0.801SS**PPolyproline II helixtrans-65.7152.1-18000000113.8
254G42.2Very low44Very low84 Ų84117.5 Ų117.587%0.86680%0.799SS**  trans134.3116.3154.500000115.6
255G45Very low44.5Very low90 Ų90117.1 Ų117.193%0.92880%0.797SS**  trans116.381.4145.800000117.2
256G47.6Very low44.9Very low67 Ų67117.7 Ų117.769%0.69180%0.8SS**  trans-132.7146.6163.300000111.1
257P46.1Very low45.2Very low122 Ų122117.7 Ų117.779%0.79279%0.793SS**  trans-69.6154.6-167.329-34.6000113.6
258P50.8Low45.8Very low136 Ų136117.8 Ų117.888%0.88379%0.793SS**SBendtrans-84.4121.6-171.833.5-29.7000110.4
259G46.8Very low45.6Very low75 Ų75111.8 Ų111.877%0.77379%0.786SS**SBendtrans149.9-1.6161.700000119.6
260T43.8Very low46.1Very low112 Ų112112.8 Ų112.869%0.68779%0.793SS**  trans-127.2128.8174.255.50000110.9I262T260-I262 PolarHBondContact O-N 3.42Å
261P43.2Very low45.8Very low130 Ų130117 Ų11784%0.84480%0.802SS**  trans-70.6104.8169.327.7-29.1000108M263P261-M263 PolarHBondContact O-N 3.23Å
262I51.8Low45.5Very low153 Ų153115.1 Ų115.179%0.78579%0.792SS**  trans-71.2104.4169.4-60.9174.1000106.5T260T260-I262 PolarHBondContact O-N 3.42Å
263M45.4Very low45.7Very low157 Ų157112.9 Ų112.977%0.77379%0.792SS**PPolyproline II helixtrans-60134.9163.6-91.2176.853.900108.7P261 S265P261-M263 PolarHBondContact O-N 3.23Å; M263-S265 PolarHBondContact O-N 2.91Å; M263-S265 VanDerWaalsContact O-N 3.12Å
264P53.3Low46.2Very low116 Ų116115 Ų11575%0.75378%0.783SS**PPolyproline II helixtrans-64.7117.2169.326.6-30.4000108.3
265S39.2Very low46.5Very low110 Ų110117.5 Ų117.577%0.76978%0.777SS**PPolyproline II helixtrans-56.6131.6164.3-62.70000108.5M263 A267M263-S265 PolarHBondContact O-N 2.91Å; M263-S265 VanDerWaalsContact O-N 3.12Å; S265-A267 PolarHBondContact O-N 3.37Å
266P50.9Low46.6Very low132 Ų132121.4 Ų121.486%0.85777%0.773SS**  trans-62.1105.8168.7-17.530.3000108.2D268P266-D268 PolarHBondContact O-N 2.9Å
267A42.3Very low46.4Very low78 Ų78129 Ų12965%0.64578%0.782SS**  trans-66.7126.4169.700000108.7S265 S269S265-A267 PolarHBondContact O-N 3.37Å; A267-S269 PolarHBondContact O-N 3.15Å
268D45.1Very low46.6Very low155 Ų155127.9 Ų127.983%0.82977%0.773SS**  trans35.483.2145-55.1-37.8000116.2P266P266-D268 PolarHBondContact O-N 2.9Å
269S38.3Very low46.3Very low113 Ų113128.5 Ų128.579%0.7977%0.768SS**  trans-107.793.8158.3-70.10000109.5A267 N271A267-S269 PolarHBondContact O-N 3.15Å; S269-N271 PolarHBondContact O-N 2.98Å
270T50Low46.4Very low144 Ų144133.6 Ų133.688%0.88377%0.774SS**  trans-60.982156-10.10000108.1
271N41.8Very low46.1Very low145 Ų145135 Ų13578%0.77578%0.778SS**  trans-137.1104.9159.8-166.9-8.9000109.8S269S269-N271 PolarHBondContact O-N 2.98Å
272S40.9Very low46.1Very low89 Ų89133.8 Ų133.862%0.62278%0.778SS**  trans-57132.8178.6-45.90000113.5D274S272-D274 PolarHBondContact O-N 3.38Å
273G52.8Low45.8Very low78 Ų78132.4 Ų132.480%0.80478%0.776SS**SBend73.8-18.3111.400000122.5
274D52Low46.1Very low128 Ų128130.3 Ų130.368%0.68478%0.775SS**  trans-113.53-161.4-66.7-43.7000117.3S272S272-D274 PolarHBondContact O-N 3.38Å
275N49.1Very low45.7Very low138 Ų138131 Ų13174%0.73878%0.779SS**SBendtrans-101.68.2-171.1-91.2-12.7000117.4
276M46.5Very low45.6Very low172 Ų172128.9 Ų128.985%0.84778%0.775SS**SBendtrans-96.8-14.7178-69.8-69.7-85.600114.3
277Y43.3Very low45.3Very low227 Ų227128.3 Ų128.389%0.8977%0.771SS**SBendtrans-94.2-12.9177.3-76.9-75.9000114.3
278T50.3Low45.2Very low98 Ų98132.1 Ų132.160%0.60178%0.78SS**G310 helixtrans-92.5-11-174.3-410000113.8M280T278-M280 VanDerWaalsContact C-N 3.29Å; T278-M280 PolarHBondContact O-N 2.92Å
279L46.3Very low44.9Very low148 Ų148135.6 Ų135.678%0.77578%0.782SS**G310 helixtrans-79.3-3.4-179.3-86156.5000114.6
280M48.7Very low44.8Very low183 Ų183136.1 Ų136.190%0.90178%0.782SS**G310 helixtrans-99.120.8174.1-79.3-178.3175.900114.1T278T278-M280 VanDerWaalsContact C-N 3.29Å; T278-M280 PolarHBondContact O-N 2.92Å
281N37.7Very low44Very low142 Ų142135.9 Ų135.976%0.75978%0.776SS**  trans-137.6106.3167-107-20.8000110.7V283N281-V283 VanDerWaalsContact C-N 3.31Å; N281-V283 PolarHBondContact O-N 3.09Å
282A42.2Very low43.5Very low103 Ų103138 Ų13885%0.85178%0.778SS**  trans-75.676.1173.600000111
283V45.3Very low44.1Very low124 Ų124139.5 Ų139.575%0.75279%0.786SS**  trans-154.5115.4159-176.40000109.8N281N281-V283 VanDerWaalsContact C-N 3.31Å; N281-V283 PolarHBondContact O-N 3.09Å
284P52.7Low43.4Very low114 Ų114144.9 Ų144.974%0.7479%0.793SS**  trans-76.1142.5169.628.7-30.4000111.3G286P284-G286 PolarHBondContact O-N 3.35Å; P284-G286 VanDerWaalsContact O-N 3.09Å
285P44.2Very low42.9Very low131 Ų131142.1 Ų142.185%0.85179%0.794SS**  trans-75.3100.5170.330.3-28.9000108.6
286G37.1Very low42.7Very low65 Ų65142.2 Ų142.267%0.6780%0.802SS**  trans-68127.3172.800000111.3P284 N288P284-G286 PolarHBondContact O-N 3.35Å; P284-G286 VanDerWaalsContact O-N 3.09Å; G286-N288 VanDerWaalsContact C-N 3.33Å; G286-N288 PolarHBondContact O-N 3.37Å; G286-N288 VanDerWaalsContact O-N 3.08Å
287P45.4Very low42.2Very low120 Ų120137.8 Ų137.878%0.77980%0.801SS**SBendtrans-80.58117032.1-30000108.7
288N39.6Very low42.3Very low158 Ų158131.8 Ų131.885%0.84579%0.792SS**  trans-171.693.5163.8-97.7-31.4000111.1G286G286-N288 VanDerWaalsContact C-N 3.33Å; G286-N288 PolarHBondContact O-N 3.37Å; G286-N288 VanDerWaalsContact O-N 3.08Å
289R39.1Very low41.8Very low228 Ų228134.7 Ų134.786%0.8680%0.804SS**  trans-121.6118.9154.7-96.3-173.2170.8-166.8-1.6107.6N291R289-N291 PolarHBondContact O-N 3.47Å
290P36.9Very low41.5Very low123 Ų123131.3 Ų131.380%0.79981%0.805SS**  trans-75.6100.7155.710.74.5000107.3
291N32.4Very low41.5Very low139 Ų139128.5 Ų128.574%0.74380%0.8SS**  trans-89.5113.3167.8-168.168.2000108R289R289-N291 PolarHBondContact O-N 3.47Å
292F31.8Very low41.6Very low189 Ų189131.1 Ų131.183%0.82981%0.81SS**PPolyproline II helixtrans-52.9135.1172.4-74.7-92.8000111.4
293P52.2Low41.5Very low121 Ų121130 Ų13079%0.78681%0.809SS**PPolyproline II helixtrans-87.4136.2162.329.9-22.5000110.6
294M39.1Very low41.2Very low191 Ų191127.2 Ų127.294%0.94181%0.805SS**PPolyproline II helixtrans-60.8144.3167.4-74-126.6-75.200111.3
295G41.5Very low40.5Very low70 Ų70130.8 Ų130.872%0.72282%0.817SS**  trans-65.1-176.3-176.100000115.8
296P45.4Very low40.1Very low140 Ų140128.4 Ų128.491%0.90982%0.816SS**  -139.6160.451.436.7-17.7000115.3
297G34.9Very low40.1Very low79 Ų79128.4 Ų128.481%0.81482%0.816SS**  trans-178.1118.6173.600000112.5
298S46.3Very low39.8Very low102 Ų102131 Ų13171%0.71382%0.82SS**  trans-58.9139.1-176.547.10000115.2
299D38.4Very low39.5Very low158 Ų158130 Ų13085%0.84581%0.811SS**  161.3117.9124.1-75.3-30000110.5
300G39.8Very low39.5Very low77 Ų77124.4 Ų124.479%0.79481%0.806SS**  trans-76-160.7-177.600000114.4
301P48.7Very low39.8Very low124 Ų124125 Ų12581%0.80580%0.798SS**  cis-136.9-173.213.139.9-19.4000115.7
302M41.2Very low40.5Very low197 Ų197125.6 Ų125.697%0.9780%0.796SS**  trans83127.6176-65.4-163.6-178.800116.2
303G38.8Very low40.9Very low80 Ų80125.8 Ų125.883%0.82580%0.802SS**  cis164.8143.73.100000108.8
304G39.2Very low40.3Very low65 Ų65127.8 Ų127.867%0.6781%0.806SS**  trans109.196.7158.700000118
305L38.9Very low40.1Very low190 Ų190122.2 Ų122.2100%0.99580%0.798SS**  52.8122.7125.9-55.5156000117.9
306G35.8Very low40.2Very low80 Ų80123.9 Ų123.983%0.82580%0.798SS**  cis161.1142.8600000109.8
307G37.4Very low40.2Very low65 Ų65125.6 Ų125.667%0.6780%0.799SS**  trans102.6101.7142.800000119.4
308M37.9Very low40.2Very low175 Ų175125.6 Ų125.686%0.86280%0.799SS**  61.1136.6127.8-63.4145.5121.100118.9
309E33.4Very low40Very low138 Ų138126.6 Ų126.665%0.64581%0.806SS**  cis-177.5149.7-6.853.2-170.911900104.9H311E309-H311 IonicContact OE2-CD2 3.4Å; E309-H311 PolarHBondContact OE2-CD2 3.08Å; E309-H311 IonicContact OE2-NE2 3.1Å; E309-H311 PolarHBondContact OE2-NE2 3.27Å; E309-H311 VanDerWaalsContact OE2-NE2 3.1Å
310S40.1Very low40.1Very low109 Ų109122.1 Ų122.176%0.76280%0.797SS**  trans-90.5118.3179.941.70000111.3
311H42.3Very low40.3Very low136 Ų136125.2 Ų125.263%0.6380%0.795SS**  trans-134.5127.5167.9-74.6-65.8000114.1E309E309-H311 IonicContact OE2-CD2 3.4Å; E309-H311 PolarHBondContact OE2-CD2 3.08Å; E309-H311 IonicContact OE2-NE2 3.1Å; E309-H311 PolarHBondContact OE2-NE2 3.27Å; E309-H311 VanDerWaalsContact OE2-NE2 3.1Å
312H46.7Very low40.2Very low152 Ų152127.3 Ų127.370%0.70480%0.796SS**  trans-59.1141167.632.8-105.4000113.2
313M40.2Very low40.4Very low193 Ų193124.2 Ų124.295%0.95178%0.784SS**  trans-154117.4151.1-113.4149.6-163.500112.7
314N39.4Very low40.4Very low162 Ų162125.5 Ų125.587%0.86678%0.78SS**  trans-58.3142.1163.9177.326.7000111.1
315G35.1Very low40.5Very low75 Ų75130 Ų13077%0.77379%0.787SS**  trans-168.489.1178.200000113.4
316S44.7Very low40.5Very low105 Ų105126.1 Ų126.173%0.73478%0.776SS**  trans-71.9178.1167.5-176.30000112.3
317L44.9Very low40.5Very low175 Ų175132.3 Ų132.392%0.91678%0.78SS**  trans102.3115.5179.3-54.6174.8000112.7
318G35.1Very low40.3Very low79 Ų79137.1 Ų137.181%0.81479%0.791SS**  cis128.5127.711.600000110.4
319S41.3Very low40.2Very low124 Ų124133.8 Ų133.887%0.86778%0.784SS**  trans130.5135.4145.6-157.40000116.6
320G40.8Very low40.6Very low64 Ų64133.4 Ų133.466%0.6679%0.794SS**  trans144.441.4157.100000120.4
321D44Very low40.4Very low142 Ų142135 Ų13576%0.75979%0.794SS**  trans40.1120.2138.2-42.8-49.4000123.6
322M45.8Very low40.3Very low167 Ų167136.1 Ų136.182%0.82381%0.805SS**  trans55.8114.7133.7-71.1-159.7-172.500124.6
323D47.4Very low40Very low133 Ų133136.5 Ų136.571%0.71181%0.809SS**  74.2104.1123-56.8-39.6000123.5
324S37.3Very low40Very low107 Ų107132.3 Ų132.375%0.74880%0.798SS**  -171.4118.6116.4-930000114.7
325I42.5Very low40Very low158 Ų158131.5 Ų131.581%0.8179%0.793SS**  trans92.3104.3137.8-64.2162.2000119.7
326S37.6Very low40.5Very low110 Ų110133 Ų13377%0.76979%0.792SS**  trans43.1103.7143.7-75.70000121.3
327K36.3Very low40.2Very low210 Ų210134.9 Ų134.991%0.91379%0.794SS**  trans-125.7102.4138.7-79.7-176.8176.11750109.5S329K327-S329 PolarHBondContact O-N 3.28Å
328N33.6Very low39.9Very low165 Ų165135.4 Ų135.488%0.88279%0.791SS**  trans-60.1116.1167.5-104.6-20.8000109.6
329S34.8Very low40.3Very low105 Ų105137.8 Ų137.873%0.73479%0.793SS**  trans-110.6149147.8-76.90000107.6K327K327-S329 PolarHBondContact O-N 3.28Å
330P43.5Very low40Very low130 Ų130135.3 Ų135.384%0.84479%0.786SS**  trans-110128.9145.515.12.9000110.3
331N35.3Very low40.2Very low144 Ų144138.5 Ų138.577%0.7779%0.794SS**  trans-55.1144.5175.7-82.9-33.9000113.8M333N331-M333 PolarHBondContact O-N 3.26Å
332N39.4Very low40.4Very low159 Ų159138.3 Ų138.385%0.8580%0.8SS**  trans-44.9109.4150.3-176.922.4000111.3
333M41.4Very low40.2Very low159 Ų159141.6 Ų141.678%0.78380%0.803SS**  trans-100.7111.7166.9-73.8-171.7-7100109.5N331 L335N331-M333 PolarHBondContact O-N 3.26Å; M333-L335 PolarHBondContact O-N 3.24Å
334S40.6Very low40Very low105 Ų105141.8 Ų141.873%0.73480%0.804SS**  trans-47.9118.6163.8176.10000111.7
335L39.2Very low40.3Very low145 Ų145143.5 Ų143.576%0.75981%0.805SS**  trans-130.884.9162.7-88.2126.6000109M333 N337M333-L335 PolarHBondContact O-N 3.24Å; L335-N337 PolarHBondContact O-N 3.4Å
336S45.3Very low40Very low106 Ų106139 Ų13974%0.74180%0.797SS**  trans-66.5106.8156.4400000109.2
337N37.6Very low40.3Very low146 Ų146142.7 Ų142.778%0.78180%0.802SS**  trans-121.7118.7166.9-98.35.3000110.1L335L335-N337 PolarHBondContact O-N 3.4Å
338Q38.7Very low40.6Very low185 Ų185142.2 Ų142.286%0.86481%0.806SS**  trans-72.2160.7167.4-80.7-137.9-51.800111.8G340Q338-G340 PolarHBondContact O-N 3.1Å
339P44.3Very low40.8Very low130 Ų130138.1 Ų138.184%0.84480%0.803SS**  trans-81.7112.2-177.531.7-29.9000111
340G35.6Very low41.2Very low71 Ų71136.4 Ų136.473%0.73280%0.802SS**  trans-124.6127.7173.700000111.2Q338Q338-G340 PolarHBondContact O-N 3.1Å
341T44.6Very low40.8Very low132 Ų132137 Ų13781%0.8180%0.798SS**PPolyproline II helixtrans-64142.7177.950.80000113.1
342P47.4Very low40.8Very low137 Ų137138.2 Ų138.289%0.8980%0.796SS**PPolyproline II helixtrans-82.8121.1166-7.425.8000110.8
343R42Very low40.8Very low236 Ų236137.8 Ų137.889%0.89179%0.793SS**PPolyproline II helixtrans-95.8145.7169-175.5172.8178.3132.4-1.9108.5
344D44.1Very low40.6Very low137 Ų137137.7 Ų137.773%0.73380%0.796SS**  trans-58.1176.7-178.3-136.1-73.9000115.7
345D42Very low41.2Very low144 Ų144136.9 Ų136.977%0.7779%0.788SS**  trans83.2129.5170.1-49.2-57.3000117.2
346G37.3Very low41.1Very low62 Ų62139.1 Ų139.164%0.63979%0.792SS**  cis166.8138.85.700000110.3
347E43.9Very low40.8Very low189 Ų189143.8 Ų143.888%0.88380%0.802SS**  trans61.8111.5145.3-69.6160.488.100122.7
348M42.1Very low40.8Very low199 Ų199141 Ų14198%0.9879%0.794SS**  -152.1113.3126.2-117.3174.7-17400112.2
349G36.9Very low40.8Very low80 Ų80140.2 Ų140.283%0.82579%0.791SS**  trans104.472140.600000118.7
350G43.4Very low40.5Very low69 Ų69139.1 Ų139.171%0.71179%0.786SS**  trans-74.2166.6158.800000113.3
351N35.3Very low40.5Very low142 Ų142147.4 Ų147.476%0.75980%0.797SS**  trans-177130158.4-90.75.7000106
352F35.5Very low40.3Very low170 Ų170146.3 Ų146.375%0.74679%0.794SS**  cis-168140.5-9.3-108-67.7000106.3
353L38.7Very low40.6Very low150 Ų150145.7 Ų145.779%0.78579%0.79SS**  trans80.890148.1-58.5167.6000122.4
354N38.7Very low40.3Very low157 Ų157139.9 Ų139.984%0.8479%0.786SS**  62161.3110.2-106.619000123.6
355P52.3Low40.5Very low88 Ų88142.5 Ų142.557%0.57180%0.796SS**  trans-120.4-179.7-133.220.48.5000111.8
356F37.6Very low40.9Very low192 Ų192141.5 Ų141.584%0.84280%0.796SS**  trans68.195.7177-57.4-84.1000116.2
357Q39.4Very low41.3Very low203 Ų203147.2 Ų147.295%0.94981%0.808SS**  trans-124.5123134.6-74.5-164.8-7.900108.2
358S36.9Very low41.5Very low88 Ų88143.5 Ų143.562%0.61580%0.803SS**  trans-91.5161.9-172.351.60000111.9
359E37.9Very low41.6Very low169 Ų169144.3 Ų144.379%0.7982%0.818SS**  trans70.6108.2145.5-69.1152.6139.600119.9
360S37.9Very low41.8Very low106 Ų106147.6 Ų147.674%0.74182%0.818SS**  149.7104.2107.4-67.90000111.8
361Y36.1Very low41.7Very low245 Ų245151.7 Ų151.796%0.96182%0.824SS**  trans-161.1106.5137.8-117.4-82.2000109.4
362S39.9Very low42.1Very low109 Ų109152.2 Ų152.276%0.76283%0.827SS**  trans-82167.1178.1-75.20000112
363P53.7Low42.5Very low124 Ų124151.2 Ų151.281%0.80583%0.832SS**  trans-88.7147.6-162.235.4-31.1000112.8
364S37.3Very low42.7Very low114 Ų114151.3 Ų151.380%0.79784%0.835SS**  trans-114.399.3167.1173.90000109.3
365M47.7Very low43Very low192 Ų192150.9 Ų150.995%0.94684%0.835SS**  trans-67.1120.9153.8-84.2159.215100107.9
366T50.2Low42.3Very low124 Ų124155.4 Ų155.476%0.76185%0.854SS**  trans-110.5118.3160177.50000108.4
367M45Very low42.7Very low182 Ų182152.5 Ų152.590%0.89785%0.854SS**  trans-60.7137.8169.7-82.3-78.4-164.300109.7
368S49.8Very low43Very low110 Ų110148.3 Ų148.377%0.76985%0.847SS**  trans-90.5130.8165.7-70.90000110.2
369V43.3Very low43.5Very low217 Ų217153.8 Ų153.8100%1.31587%0.868SS**  trans51.50155.6-1550000119.4

Retrieved 369 of 369 residues in 295.8 ms (Link to these results)