A0A088DEG1_MOUSE Loading...

Shank3e splice variant III

AlphaFold DB , UniProt , Accession A0A088DEG1, Species MOUSE (Mus musculus, Mouse), Gene Shank3, Length 237 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
1M44.6Very low61.8Low231 Ų231129.5 Ų129.5100%1.13864%0.642SS**  0105.90-65.3166.87500108.7K3M1-K3 PolarHBondContact O-N 3.37Å
2K59Low63.1Low195 Ų195130.8 Ų130.885%0.84864%0.641SS**  trans-79.5102.6179.7-164.2154.7174.4171.10107.8F4K2-F4 PolarHBondContact O-N 3.07Å
3K57.1Low63.7Low200 Ų200126.1 Ų126.187%0.8762%0.619SS**  trans-69.2109.6-178.3-61.4179.2-177.51770107.9M1 A5M1-K3 PolarHBondContact O-N 3.37Å; K3-A5 PolarHBondContact O-N 3.37Å
4F51Low64Low192 Ų192119.6 Ų119.684%0.84259%0.589SS**PPolyproline II helixtrans-72123.2172.4-81.3-87.5000109K2K2-F4 PolarHBondContact O-N 3.07Å
5A64.6Low64.5Low49 Ų49117.6 Ų117.641%0.40560%0.598SS.*PPolyproline II helixtrans-63134.7175.900000109.7K3 S9 L10K3-A5 PolarHBondContact O-N 3.37Å; A5-S9 WeakPolarHBondContact CB-OG 3.34Å; A5-L10 HydrophobicContact CB-CD2 3.92Å; A5-L10 HydrophobicContact CB-CG 4.24Å
6S67.7Low65Low79 Ų79120.6 Ų120.655%0.55261%0.609SS**PPolyproline II helixtrans-58.7148.7170.7174.30000110.2R8 S9 L10S6-R8 PolarHBondContact O-N 3.45Å; S6-R8 PolarHBondContact OG-N 3.43Å; S6-S9 PolarHBondContact N-OG 3.33Å; S6-S9 WeakPolarHBondContact O-CA 3.5Å; S6-S9 PolarHBondContact O-N 3.19Å; S6-S9 PolarHBondContact O-OG 3.18Å; S6-L10 PolarHBondContact O-N 3.13Å
7S62.6Low65.1Low69 Ų69115.2 Ų115.248%0.48359%0.585SS.*Hα-helixtrans-52.6-28.9173.6-49.40000112.7L10 N11S7-L10 PolarHBondContact O-N 3.37Å; S7-N11 PolarHBondContact O-N 3.43Å; S7-N11 PolarHBondContact O-ND2 2.86Å
8R63Low65Low207 Ų207116.2 Ų116.278%0.78159%0.592SS**Hα-helixtrans-71.2-31.2175.1-157.2177.4-171.5-162.22.9113S6S6-R8 PolarHBondContact O-N 3.45Å; S6-R8 PolarHBondContact OG-N 3.43Å
9S70.1Confident64.9Low42 Ų42115.5 Ų115.529%0.29460%0.598SS.*Hα-helixtrans-78.6-31.5172.943.80000112.8A5 S6 K12 I13A5-S9 WeakPolarHBondContact CB-OG 3.34Å; S6-S9 PolarHBondContact N-OG 3.33Å; S6-S9 WeakPolarHBondContact O-CA 3.5Å; S6-S9 PolarHBondContact O-N 3.19Å; S6-S9 PolarHBondContact O-OG 3.18Å; S9-K12 PolarHBondContact O-N 3.34Å; S9-I13 WeakPolarHBondContact O-CD1 3.48Å; S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.41Å; S9-I13 PolarHBondContact O-N 2.66Å; S9-I13 VanDerWaalsContact O-N 3.09Å
10L67.1Low64.6Low58 Ų58115.5 Ų115.530%0.30461%0.609SS.*Hα-helixtrans-63.8-43.4176.9-67.9176.6000112A5 S6 S7 K12 I13 L14A5-L10 HydrophobicContact CB-CD2 3.92Å; A5-L10 HydrophobicContact CB-CG 4.24Å; S6-L10 PolarHBondContact O-N 3.13Å; S7-L10 PolarHBondContact O-N 3.37Å; L10-K12 VanDerWaalsContact C-N 3.28Å; L10-K12 PolarHBondContact O-N 3.45Å; L10-I13 PolarHBondContact O-N 3.43Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 PolarHBondContact O-N 3.2Å
11N73.5Confident64.6Low102 Ų102111.8 Ų111.855%0.54559%0.592SS.*Hα-helixtrans-62.3-34.1176.1-78.5-60.3000113.3S7 A15S7-N11 PolarHBondContact O-N 3.43Å; S7-N11 PolarHBondContact O-ND2 2.86Å; N11-A15 PolarHBondContact O-N 3.19Å; N11-A15 VanDerWaalsContact O-N 3.14Å
12K77.6Confident65.6Low145 Ų145110.8 Ų110.863%0.6358%0.576SS**Hα-helixtrans-69.6-38.7175.7-75.8-176.1172.2-170.10112.1S9 L10 A15 Q16S9-K12 PolarHBondContact O-N 3.34Å; L10-K12 VanDerWaalsContact C-N 3.28Å; L10-K12 PolarHBondContact O-N 3.45Å; K12-A15 PolarHBondContact O-N 2.98Å; K12-Q16 WeakPolarHBondContact O-CG 3.29Å; K12-Q16 PolarHBondContact O-N 2.93Å
13I70.5Confident66Low70 Ų70107.2 Ų107.236%0.35956%0.562SS.*Hα-helixtrans-66.8-44.2175.7-65.7163000109.5S9 L10 A15 Q16 C17S9-I13 WeakPolarHBondContact O-CD1 3.48Å; S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.41Å; S9-I13 PolarHBondContact O-N 2.66Å; S9-I13 VanDerWaalsContact O-N 3.09Å; L10-I13 PolarHBondContact O-N 3.43Å; I13-A15 VanDerWaalsContact C-N 3.25Å; I13-A15 PolarHBondContact O-N 2.92Å; I13-Q16 CarbonylContact O-C 3.57Å; I13-Q16 PolarHBondContact O-N 3.09Å; I13-C17 PolarHBondContact O-N 3.18Å; I13-C17 PolarHBondContact O-SG 2.99Å
14L67.1Low66.7Low36 Ų36100.9 Ų100.919%0.18853%0.534CS..Hα-helixtrans-60.5-33.8178.6-160.671.3000113.1L10 Q16 Y24 V27L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 PolarHBondContact O-N 3.2Å; L14-Q16 VanDerWaalsContact C-N 3.29Å; L14-Y24 HydrophobicContact CD1-CD2 3.31Å; L14-Y24 HydrophobicContact CD1-CE2 3.2Å; L14-Y24 HydrophobicContact CD1-CG 4.15Å; L14-Y24 HydrophobicContact CD2-CE2 4.34Å; L14-Y24 HydrophobicContact CG-CD2 4.14Å; L14-Y24 HydrophobicContact CG-CE2 3.66Å; L14-V27 HydrophobicContact CD1-CG1 4.16Å
15A72.8Confident68Low89 Ų8998.4 Ų98.474%0.73653%0.525SS*.THydrogen-bonded Turntrans-74.7-17.1175.700000113.8N11 K12 I13N11-A15 PolarHBondContact O-N 3.19Å; N11-A15 VanDerWaalsContact O-N 3.14Å; K12-A15 PolarHBondContact O-N 2.98Å; I13-A15 VanDerWaalsContact C-N 3.25Å; I13-A15 PolarHBondContact O-N 2.92Å
16Q71.4Confident68.7Low166 Ų166102.2 Ų102.278%0.77653%0.534SS*.THydrogen-bonded Turntrans-101-11.7178.7-70.1-179.2-17.900112.9K12 I13 L14K12-Q16 WeakPolarHBondContact O-CG 3.29Å; K12-Q16 PolarHBondContact O-N 2.93Å; I13-Q16 CarbonylContact O-C 3.57Å; I13-Q16 PolarHBondContact O-N 3.09Å; L14-Q16 VanDerWaalsContact C-N 3.29Å
17C66.6Low69.2Low28 Ų28100 Ų10019%0.18952%0.517CS..SBendtrans-89126.6178-69.30000110.4I13 S19I13-C17 PolarHBondContact O-N 3.18Å; I13-C17 PolarHBondContact O-SG 2.99Å; C17-S19 PolarHBondContact O-N 3.41Å
18D63.8Low69.9Low134 Ų13498.3 Ų98.372%0.71750%0.502SS*.  trans-62.2131.8166.3-65.9-42.2000109.1S20 S21D18-S20 PolarHBondContact O-N 3.47Å; D18-S21 PolarHBondContact O-N 3.22Å
19S62.4Low70.8Confident102 Ų10291 Ų9171%0.71349%0.485SS*.THydrogen-bonded Turntrans-57.5-3.2-170.6-54.50000115.9C17C17-S19 PolarHBondContact O-N 3.41Å
20S59.4Low71.3Confident116 Ų11692.6 Ų92.681%0.81149%0.493SS*.THydrogen-bonded Turntrans-103.6-1.1176.566.60000114.4D18D18-S20 PolarHBondContact O-N 3.47Å
21S64.8Low71.7Confident37 Ų3793.4 Ų93.426%0.25950%0.495SS..SBendtrans-74138.5178.1-177.90000111.3D18 E23 Y24D18-S21 PolarHBondContact O-N 3.22Å; S21-E23 PolarHBondContact O-N 2.85Å; S21-E23 VanDerWaalsContact OG-CD 3.31Å; S21-E23 PolarHBondContact OG-N 3.34Å; S21-E23 PolarHBondContact OG-OE2 2.63Å; S21-Y24 VanDerWaalsContact O-CB 3.26Å; S21-Y24 WeakPolarHBondContact O-CB 3.45Å; S21-Y24 PolarHBondContact O-N 3.5Å
22R65.7Low72Confident210 Ų21095.8 Ų95.879%0.79250%0.496SS*.Hα-helixtrans-53.3-26.3171.2-174.4170.6-178.5-115.81.7112.5E25 E26R22-E25 PolarHBondContact O-N 3.38Å; R22-E26 PolarHBondContact O-N 3.32Å; R22-E26 VanDerWaalsContact O-N 3.15Å
23E67Low72.1Confident120 Ų12096.1 Ų96.156%0.56150%0.498SS*.Hα-helixtrans-68.7-33.1176.7-62.2148.8163.600111.9S21 E26 V27S21-E23 PolarHBondContact O-N 2.85Å; S21-E23 VanDerWaalsContact OG-CD 3.31Å; S21-E23 PolarHBondContact OG-N 3.34Å; S21-E23 PolarHBondContact OG-OE2 2.63Å; E23-E26 PolarHBondContact O-N 3.48Å; E23-V27 WeakPolarHBondContact O-CB 3.33Å; E23-V27 WeakPolarHBondContact O-CG2 3.19Å; E23-V27 PolarHBondContact O-N 2.75Å
24Y72.3Confident72.2Confident68 Ų6899.6 Ų99.627%0.26751%0.507SS..Hα-helixtrans-65.8-42.5176.1-173.8-86.5000111L14 S21 V27 Q28L14-Y24 HydrophobicContact CD1-CD2 3.31Å; L14-Y24 HydrophobicContact CD1-CE2 3.2Å; L14-Y24 HydrophobicContact CD1-CG 4.15Å; L14-Y24 HydrophobicContact CD2-CE2 4.34Å; L14-Y24 HydrophobicContact CG-CD2 4.14Å; L14-Y24 HydrophobicContact CG-CE2 3.66Å; S21-Y24 VanDerWaalsContact O-CB 3.26Å; S21-Y24 WeakPolarHBondContact O-CB 3.45Å; S21-Y24 PolarHBondContact O-N 3.5Å; Y24-V27 PolarHBondContact O-N 3.11Å; Y24-Q28 HydrophobicContact CD1-CG 4.02Å; Y24-Q28 HydrophobicContact CE1-CG 3.67Å; Y24-Q28 WeakPolarHBondContact O-CB 3.41Å; Y24-Q28 WeakPolarHBondContact O-CG 3.41Å; Y24-Q28 PolarHBondContact O-N 3.39Å; Y24-Q28 PolarHBondContact OH-NE2 3.36Å
25E78.8Confident72.5Confident140 Ų140102.3 Ų102.365%0.65452%0.518SS*.Hα-helixtrans-68.2-39.1178.5-167172.3-163.100111.9R22 Q28 A29R22-E25 PolarHBondContact O-N 3.38Å; E25-Q28 PolarHBondContact O-N 2.93Å; E25-A29 VanDerWaalsContact O-CB 3.27Å; E25-A29 WeakPolarHBondContact O-CB 3.32Å; E25-A29 PolarHBondContact O-N 2.89Å
26E79.3Confident72.4Confident129 Ų129103.8 Ų103.860%0.60351%0.513SS*.Hα-helixtrans-65.2-43175.2-170.1174179.500111.8R22 E23 A29 V30R22-E26 PolarHBondContact O-N 3.32Å; R22-E26 VanDerWaalsContact O-N 3.15Å; E23-E26 PolarHBondContact O-N 3.48Å; E26-A29 PolarHBondContact O-N 3.44Å; E26-V30 VanDerWaalsContact O-CG2 3.31Å; E26-V30 WeakPolarHBondContact O-CG2 3.29Å; E26-V30 PolarHBondContact O-N 3.3Å
27V77.4Confident72.3Confident32 Ų32102.7 Ų102.719%0.19451%0.508CS..Hα-helixtrans-64-44.7176.3172.50000111L14 E23 Y24 A29 V30 E31L14-V27 HydrophobicContact CD1-CG1 4.16Å; E23-V27 WeakPolarHBondContact O-CB 3.33Å; E23-V27 WeakPolarHBondContact O-CG2 3.19Å; E23-V27 PolarHBondContact O-N 2.75Å; Y24-V27 PolarHBondContact O-N 3.11Å; V27-A29 VanDerWaalsContact C-N 3.34Å; V27-A29 PolarHBondContact O-N 2.86Å; V27-V30 PolarHBondContact O-N 3.39Å; V27-E31 WeakPolarHBondContact O-CB 3.49Å; V27-E31 PolarHBondContact O-N 2.87Å
28Q76.9Confident72.1Confident34 Ų34103.4 Ų103.416%0.15951%0.509CS..Hα-helixtrans-63.2-37.8175-80-73.8-1.300112.5Y24 E25 E31 R32Y24-Q28 HydrophobicContact CD1-CG 4.02Å; Y24-Q28 HydrophobicContact CE1-CG 3.67Å; Y24-Q28 WeakPolarHBondContact O-CB 3.41Å; Y24-Q28 WeakPolarHBondContact O-CG 3.41Å; Y24-Q28 PolarHBondContact O-N 3.39Å; Y24-Q28 PolarHBondContact OH-NE2 3.36Å; E25-Q28 PolarHBondContact O-N 2.93Å; Q28-E31 PolarHBondContact O-N 3.43Å; Q28-R32 WeakPolarHBondContact O-CB 3.4Å; Q28-R32 VanDerWaalsContact O-CG 3.31Å; Q28-R32 WeakPolarHBondContact O-CG 3.16Å; Q28-R32 PolarHBondContact O-N 3.37Å
29A82.1Confident72Confident52 Ų5299 Ų9943%0.4349%0.492SS..Hα-helixtrans-66.5-40.4175.500000111.7E25 E26 V27 K33E25-A29 VanDerWaalsContact O-CB 3.27Å; E25-A29 WeakPolarHBondContact O-CB 3.32Å; E25-A29 PolarHBondContact O-N 2.89Å; E26-A29 PolarHBondContact O-N 3.44Å; V27-A29 VanDerWaalsContact C-N 3.34Å; V27-A29 PolarHBondContact O-N 2.86Å; A29-K33 VanDerWaalsContact O-CB 3.27Å; A29-K33 WeakPolarHBondContact O-CB 3.28Å; A29-K33 PolarHBondContact O-N 3.45Å
30V80.1Confident71.9Confident77 Ų7797.9 Ų97.947%0.46748%0.481SS..Hα-helixtrans-63.6-43.1173.5170.50000110.7E26 V27 K33 W34E26-V30 VanDerWaalsContact O-CG2 3.31Å; E26-V30 WeakPolarHBondContact O-CG2 3.29Å; E26-V30 PolarHBondContact O-N 3.3Å; V27-V30 PolarHBondContact O-N 3.39Å; V30-K33 PolarHBondContact O-N 2.84Å; V30-W34 VanDerWaalsContact O-CB 3.31Å; V30-W34 WeakPolarHBondContact O-CB 3Å; V30-W34 PolarHBondContact O-N 2.76Å
31E76.4Confident71.9Confident75 Ų7595.2 Ų95.235%0.3546%0.46SS..Hα-helixtrans-62.5-49176.7-177.1169.1-16500111.5V27 Q28 K33 W34 H35V27-E31 WeakPolarHBondContact O-CB 3.49Å; V27-E31 PolarHBondContact O-N 2.87Å; Q28-E31 PolarHBondContact O-N 3.43Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 PolarHBondContact O-N 3.49Å; E31-W34 WeakPolarHBondContact O-CB 3.46Å; E31-W34 PolarHBondContact O-N 3.38Å; E31-H35 WeakPolarHBondContact CG-CE1 3.21Å; E31-H35 WeakPolarHBondContact CG-ND1 2.96Å; E31-H35 PolarHBondContact O-N 3.19Å; E31-H35 PolarHBondContact O-ND1 2.88Å; E31-H35 IonicContact OE1-CE1 3.49Å; E31-H35 PolarHBondContact OE1-CE1 3.46Å
32R79.8Confident71.6Confident151 Ų151101.1 Ų101.157%0.5748%0.477SS*.Hα-helixtrans-60-43175.4-72.6-177.2-173.1107.43.3111.8Q28 W34 H35 L36Q28-R32 WeakPolarHBondContact O-CB 3.4Å; Q28-R32 VanDerWaalsContact O-CG 3.31Å; Q28-R32 WeakPolarHBondContact O-CG 3.16Å; Q28-R32 PolarHBondContact O-N 3.37Å; R32-W34 VanDerWaalsContact C-N 3.32Å; R32-W34 PolarHBondContact O-N 2.87Å; R32-H35 PolarHBondContact O-N 2.85Å; R32-L36 WeakPolarHBondContact O-CB 3.27Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.46Å; R32-L36 PolarHBondContact O-N 3.3Å
33K78.7Confident71.3Confident153 Ų153100.4 Ų100.467%0.66547%0.474SS*.Hα-helixtrans-62.8-40.3176.4-171165.480.3179.80111.7A29 V30 E31 L36 H37A29-K33 VanDerWaalsContact O-CB 3.27Å; A29-K33 WeakPolarHBondContact O-CB 3.28Å; A29-K33 PolarHBondContact O-N 3.45Å; V30-K33 PolarHBondContact O-N 2.84Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 PolarHBondContact O-N 3.49Å; K33-L36 PolarHBondContact O-N 2.83Å; K33-H37 VanDerWaalsContact O-CB 3.27Å; K33-H37 WeakPolarHBondContact O-CB 3.31Å; K33-H37 PolarHBondContact O-N 3.28Å
34W74.3Confident71Confident142 Ų142100.2 Ų100.254%0.53848%0.477SS..Hα-helixtrans-65.5-42.7176.6-165.374.6000111.7V30 E31 R32 H37 L38V30-W34 VanDerWaalsContact O-CB 3.31Å; V30-W34 WeakPolarHBondContact O-CB 3Å; V30-W34 PolarHBondContact O-N 2.76Å; E31-W34 WeakPolarHBondContact O-CB 3.46Å; E31-W34 PolarHBondContact O-N 3.38Å; R32-W34 VanDerWaalsContact C-N 3.32Å; R32-W34 PolarHBondContact O-N 2.87Å; W34-H37 PolarHBondContact O-N 2.94Å; W34-L38 HydrophobicContact CD2-CD1 3.51Å; W34-L38 HydrophobicContact CD2-CG 4.45Å; W34-L38 HydrophobicContact CE3-CD1 3.63Å; W34-L38 HydrophobicContact CG-CD1 4.3Å; W34-L38 HydrophobicContact CH2-CD1 3.45Å; W34-L38 VanDerWaalsContact CH2-CD1 3.45Å; W34-L38 HydrophobicContact CZ2-CD1 3.32Å; W34-L38 HydrophobicContact CZ3-CD1 3.59Å; W34-L38 WeakPolarHBondContact O-CB 3.42Å; W34-L38 WeakPolarHBondContact O-CG 3.41Å; W34-L38 PolarHBondContact O-N 3.45Å
35H72.1Confident70.3Confident94 Ų94102.4 Ų102.444%0.43549%0.492SS..Hα-helixtrans-63-44.2174.3-76.390.9000112E31 R32 L38 A39E31-H35 WeakPolarHBondContact CG-CE1 3.21Å; E31-H35 WeakPolarHBondContact CG-ND1 2.96Å; E31-H35 PolarHBondContact O-N 3.19Å; E31-H35 PolarHBondContact O-ND1 2.88Å; E31-H35 IonicContact OE1-CE1 3.49Å; E31-H35 PolarHBondContact OE1-CE1 3.46Å; R32-H35 PolarHBondContact O-N 2.85Å; H35-L38 PolarHBondContact O-N 3.38Å; H35-A39 WeakPolarHBondContact O-CA 3.27Å; H35-A39 WeakPolarHBondContact O-CB 3.27Å; H35-A39 PolarHBondContact O-N 3.47Å
36L71Confident69.2Low119 Ų119101.8 Ų101.862%0.62349%0.493SS*.Hα-helixtrans-62.6-44.4175.1-70.3169.4000111.4R32 K33 L38 T40R32-L36 WeakPolarHBondContact O-CB 3.27Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.46Å; R32-L36 PolarHBondContact O-N 3.3Å; K33-L36 PolarHBondContact O-N 2.83Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 3.46Å; L36-T40 WeakPolarHBondContact O-CB 3.39Å; L36-T40 PolarHBondContact O-N 3.06Å; L36-T40 VanDerWaalsContact O-N 3.11Å; L36-T40 PolarHBondContact O-OG1 2.78Å
37H70Confident68.2Low143 Ų143101.1 Ų101.166%0.66249%0.494SS*.Hα-helixtrans-66.9-30179.9-169.5-81000113.1K33 W34 P41K33-H37 VanDerWaalsContact O-CB 3.27Å; K33-H37 WeakPolarHBondContact O-CB 3.31Å; K33-H37 PolarHBondContact O-N 3.28Å; W34-H37 PolarHBondContact O-N 2.94Å; H37-P41 WeakPolarHBondContact O-CD 3.31Å; H37-P41 WeakPolarHBondContact O-CG 3.49Å
38L62.3Low67.2Low43 Ų43109.1 Ų109.123%0.22552%0.52CS..Hα-helixtrans-91.5-33.5177.1-73.6175.6000113.9W34 H35 L36 R42W34-L38 HydrophobicContact CD2-CD1 3.51Å; W34-L38 HydrophobicContact CD2-CG 4.45Å; W34-L38 HydrophobicContact CE3-CD1 3.63Å; W34-L38 HydrophobicContact CG-CD1 4.3Å; W34-L38 HydrophobicContact CH2-CD1 3.45Å; W34-L38 VanDerWaalsContact CH2-CD1 3.45Å; W34-L38 HydrophobicContact CZ2-CD1 3.32Å; W34-L38 HydrophobicContact CZ3-CD1 3.59Å; W34-L38 WeakPolarHBondContact O-CB 3.42Å; W34-L38 WeakPolarHBondContact O-CG 3.41Å; W34-L38 PolarHBondContact O-N 3.45Å; H35-L38 PolarHBondContact O-N 3.38Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 3.46Å; L38-R42 VanDerWaalsContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CB 3.45Å; L38-R42 WeakPolarHBondContact O-CD 3.33Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.01Å
39A61.1Low66.2Low42 Ų42116.5 Ų116.535%0.34755%0.547SS..Hα-helixtrans-73-36.5-179.300000111.5H35 R42 R43H35-A39 WeakPolarHBondContact O-CA 3.27Å; H35-A39 WeakPolarHBondContact O-CB 3.27Å; H35-A39 PolarHBondContact O-N 3.47Å; A39-R42 PolarHBondContact O-N 2.9Å; A39-R43 WeakPolarHBondContact O-CB 3.26Å; A39-R43 WeakPolarHBondContact O-CG 3.31Å; A39-R43 PolarHBondContact O-N 3.15Å
40T60Low65Low79 Ų79116.9 Ų116.949%0.48555%0.549SS..Hα-helixtrans-60.5-53.6-179.5-52.10000112.7L36 R42 R43 L44L36-T40 WeakPolarHBondContact O-CB 3.39Å; L36-T40 PolarHBondContact O-N 3.06Å; L36-T40 VanDerWaalsContact O-N 3.11Å; L36-T40 PolarHBondContact O-OG1 2.78Å; T40-R42 PolarHBondContact O-N 3.49Å; T40-R43 PolarHBondContact O-N 2.87Å; T40-L44 HydrophobicContact CG2-CD1 4.43Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.88Å
41P60Low63.9Low59 Ų59122.4 Ų122.438%0.38357%0.567SS.*Hα-helixtrans-68.8-33.1175.726.9-34.1000112.3H37 L44 L45H37-P41 WeakPolarHBondContact O-CD 3.31Å; H37-P41 WeakPolarHBondContact O-CG 3.49Å; P41-L44 PolarHBondContact O-N 2.93Å; P41-L45 WeakPolarHBondContact O-CB 3.21Å; P41-L45 WeakPolarHBondContact O-CG 3.4Å; P41-L45 PolarHBondContact O-N 3.11Å
42R58.7Low62.8Low161 Ų161121.9 Ų121.961%0.60858%0.576SS**Hα-helixtrans-65.9-39.1177.7-78.3178.1171144.5-0.6112.7L38 A39 T40 L46L38-R42 VanDerWaalsContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CB 3.45Å; L38-R42 WeakPolarHBondContact O-CD 3.33Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.01Å; A39-R42 PolarHBondContact O-N 2.9Å; T40-R42 PolarHBondContact O-N 3.49Å; R42-L46 WeakPolarHBondContact O-CB 3.47Å; R42-L46 PolarHBondContact O-N 3.42Å
43R59.8Low61.6Low195 Ų195118.8 Ų118.874%0.73658%0.577SS**Hα-helixtrans-67.1-44.9175.3-77.6-173.8173.1-162.8-1.5111.6A39 T40 L45 L46 D47A39-R43 WeakPolarHBondContact O-CB 3.26Å; A39-R43 WeakPolarHBondContact O-CG 3.31Å; A39-R43 PolarHBondContact O-N 3.15Å; T40-R43 PolarHBondContact O-N 2.87Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.06Å; R43-L46 PolarHBondContact O-N 2.95Å; R43-D47 PolarHBondContact O-N 2.67Å
44L59.2Low60.7Low116 Ų116118.7 Ų118.761%0.60758%0.583SS**Hα-helixtrans-63.3-36.5176.3-66.4172.5000112.6T40 P41 R48T40-L44 HydrophobicContact CG2-CD1 4.43Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.88Å; P41-L44 PolarHBondContact O-N 2.93Å; L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 PolarHBondContact O-N 2.74Å; L44-R48 VanDerWaalsContact O-N 3.09Å
45L57.5Low59.9Low114 Ų114120.2 Ų120.260%0.59759%0.594SS**Hα-helixtrans-70.2-36174.2-73.4171.7000112.5P41 R43 R49P41-L45 WeakPolarHBondContact O-CB 3.21Å; P41-L45 WeakPolarHBondContact O-CG 3.4Å; P41-L45 PolarHBondContact O-N 3.11Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.06Å; L45-R49 VanDerWaalsContact O-CB 3.29Å; L45-R49 WeakPolarHBondContact O-CB 3.43Å; L45-R49 PolarHBondContact O-N 3.41Å
46L57.5Low59.1Low127 Ų127124.9 Ų124.967%0.66561%0.613SS**Hα-helixtrans-69.6-40176.4-13370.7000111.6R42 R43 R49 A50R42-L46 WeakPolarHBondContact O-CB 3.47Å; R42-L46 PolarHBondContact O-N 3.42Å; R43-L46 PolarHBondContact O-N 2.95Å; L46-R49 CarbonylContact O-C 3.59Å; L46-R49 PolarHBondContact O-N 3.02Å; L46-A50 PolarHBondContact O-N 3.35Å
47D57.8Low59.1Low116 Ų116123.5 Ų123.562%0.6262%0.619SS**Hα-helixtrans-64.5-41.3175.6-116.6-22.6000111.9R43 R49 A50 K51R43-D47 PolarHBondContact O-N 2.67Å; D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 3.28Å; D47-A50 PolarHBondContact O-N 3.47Å; D47-K51 PolarHBondContact O-N 3.34Å
48R57Low59.2Low199 Ų199120.3 Ų120.375%0.75162%0.618SS**Hα-helixtrans-65.9-33.7173.6-165.2177-175.2-158.71.3112L44 A52L44-R48 WeakPolarHBondContact O-CB 3.5Å; L44-R48 PolarHBondContact O-N 2.74Å; L44-R48 VanDerWaalsContact O-N 3.09Å; R48-A52 WeakPolarHBondContact O-CB 3.31Å; R48-A52 PolarHBondContact O-N 3.28Å; R48-A52 VanDerWaalsContact O-N 3.13Å
49R55.1Low59.8Low190 Ų190123.4 Ų123.472%0.71764%0.64SS**Hα-helixtrans-75.1-28.7176.7-161.7171.3-168.7-109.10.8112.7L45 L46 D47 A52 S53L45-R49 VanDerWaalsContact O-CB 3.29Å; L45-R49 WeakPolarHBondContact O-CB 3.43Å; L45-R49 PolarHBondContact O-N 3.41Å; L46-R49 CarbonylContact O-C 3.59Å; L46-R49 PolarHBondContact O-N 3.02Å; D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 3.28Å; R49-A52 PolarHBondContact O-N 2.89Å; R49-S53 PolarHBondContact O-N 3.19Å
50A57.7Low60.5Low59 Ų59126.7 Ų126.749%0.48866%0.658SS.*Hα-helixtrans-68.6-39.9172.100000111.6L46 D47 A52 S53L46-A50 PolarHBondContact O-N 3.35Å; D47-A50 PolarHBondContact O-N 3.47Å; A50-A52 VanDerWaalsContact C-N 3.35Å; A50-S53 WeakPolarHBondContact O-CB 3.41Å; A50-S53 PolarHBondContact O-N 3.05Å; A50-S53 PolarHBondContact O-OG 3.09Å
51K55.7Low61.1Low194 Ų194128.3 Ų128.384%0.84367%0.67SS**Hα-helixtrans-72.4-22.4172.9-91.6172.7173.5166.90114.5D47D47-K51 PolarHBondContact O-N 3.34Å
52A54.5Low62Low64 Ų64131.1 Ų131.153%0.52969%0.688SS.*THydrogen-bonded Turntrans-88.1-3.5173.600000113.7R48 R49 A50 L54 F55R48-A52 WeakPolarHBondContact O-CB 3.31Å; R48-A52 PolarHBondContact O-N 3.28Å; R48-A52 VanDerWaalsContact O-N 3.13Å; R49-A52 PolarHBondContact O-N 2.89Å; A50-A52 VanDerWaalsContact C-N 3.35Å; A52-L54 PolarHBondContact O-N 2.81Å; A52-F55 PolarHBondContact O-N 3.26Å
53S54.4Low62.5Low86 Ų86133.3 Ų133.360%0.60170%0.702SS**THydrogen-bonded Turntrans-73.9-2.8-173.469.60000115.1R49 A50 F55R49-S53 PolarHBondContact O-N 3.19Å; A50-S53 WeakPolarHBondContact O-CB 3.41Å; A50-S53 PolarHBondContact O-N 3.05Å; A50-S53 PolarHBondContact O-OG 3.09Å; S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 3.49Å
54L58.4Low62.7Low150 Ų150135.6 Ų135.679%0.78571%0.711SS**THydrogen-bonded Turntrans-73.8-14.3172.6-73.5178.6000113.9A52A52-L54 PolarHBondContact O-N 2.81Å
55F58.9Low63.2Low174 Ų174133.6 Ų133.676%0.76371%0.711SS**SBendtrans-144.2124173-75.7-81.9000112A52 S53A52-F55 PolarHBondContact O-N 3.26Å; S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 3.49Å
56F55.5Low63.5Low192 Ų192134 Ų13484%0.84272%0.72SS**  trans80.575.5-177.8-60.9-79.7000116.1A58F56-A58 PolarHBondContact O-N 3.14Å
57A70.4Confident63.7Low90 Ų90132.5 Ų132.574%0.74472%0.721SS**PPolyproline II helixtrans-47.3130.8133.800000108.2
58A72.8Confident63.8Low77 Ų77133.5 Ų133.564%0.63673%0.731SS**PPolyproline II helixtrans-52.3137.917300000108.4F56F56-A58 PolarHBondContact O-N 3.14Å
59P73.4Confident63.8Low108 Ų108128.5 Ų128.570%0.70172%0.722SS**PPolyproline II helixtrans-51.7131.9177.521.3-31.4000107.9
60P76.8Confident63.9Low111 Ų111125.6 Ų125.672%0.72172%0.721SS**PPolyproline II helixtrans-53.9137.6-178.822.1-32.3000108.2
61P72.6Confident64Low112 Ų112127.3 Ų127.373%0.72773%0.725SS**PPolyproline II helixtrans-52.2133.6178.322.3-32.3000108K63P61-K63 PolarHBondContact O-N 3.26Å; P61-K63 VanDerWaalsContact O-N 3.11Å
62P77.6Confident64Low118 Ų118126.5 Ų126.577%0.76673%0.729SS**PPolyproline II helixtrans-52.9126.9-175.320.8-31.9000108.4R64P62-R64 PolarHBondContact O-N 2.96Å
63K69.6Low64.1Low208 Ų208132.6 Ų132.690%0.90474%0.738SS**  trans-54.2109.5175-69-178.8178.9178.40106P61 A65P61-K63 PolarHBondContact O-N 3.26Å; P61-K63 VanDerWaalsContact O-N 3.11Å; K63-A65 PolarHBondContact O-N 3.04Å
64R64.3Low64.2Low243 Ų243133.1 Ų133.192%0.91774%0.742SS**  trans-56.4106.8172.5-72.6-179.9178.7165.3-1.2105.5P62P62-R64 PolarHBondContact O-N 2.96Å
65A68.9Low64.4Low73 Ų73135.7 Ų135.760%0.60375%0.747SS**  trans-55.6138.5168.800000106.8K63 S67K63-A65 PolarHBondContact O-N 3.04Å; A65-S67 PolarHBondContact O-N 3.4Å
66P64.2Low64.5Low123 Ų123130.7 Ų130.780%0.79973%0.733SS**SBendtrans-68.577.3166.230-32.4000107.8
67S63Low64.6Low96 Ų96130 Ų13067%0.67174%0.735SS**  trans-145.648175.6-1730000110.4A65A65-S67 PolarHBondContact O-N 3.4Å
68T59.2Low63.9Low136 Ų136131.8 Ų131.883%0.83474%0.737SS**  trans-146.353.2139.159.70000107.4L70T68-L70 PolarHBondContact O-N 2.65Å
69T57.5Low63.1Low94 Ų94132.3 Ų132.358%0.57774%0.741SS**  trans-68.293.4160-48.60000105.6T71T69-T71 HydrophobicContact CG2-CG2 3.55Å; T69-T71 WeakPolarHBondContact CG2-OG1 3.4Å; T69-T71 PolarHBondContact O-N 2.93Å; T69-T71 PolarHBondContact O-OG1 3.4Å
70L55.8Low62.2Low130 Ų130133.7 Ų133.768%0.68174%0.738SS**  trans-67.968.9168.2-165.1168.3000107.5T68 R73T68-L70 PolarHBondContact O-N 2.65Å; L70-R73 HydrophobicContact CD2-CB 3.84Å
71T60Low61.2Low95 Ų95134.2 Ų134.258%0.58373%0.734SS**  trans-110.22.7177.730.60000113.3T69T69-T71 HydrophobicContact CG2-CG2 3.55Å; T69-T71 WeakPolarHBondContact CG2-OG1 3.4Å; T69-T71 PolarHBondContact O-N 2.93Å; T69-T71 PolarHBondContact O-OG1 3.4Å
72L56.6Low60.6Low176 Ų176137.1 Ų137.192%0.92174%0.738SS**SBendtrans-120.228.3174.9-61.1-179.3000113.1
73R55.5Low59.7Low193 Ų193138.4 Ų138.473%0.72873%0.734SS**SBendtrans-125.613.7166.3-153.9-168165.891.11.8112.9L70 K75L70-R73 HydrophobicContact CD2-CB 3.84Å; R73-K75 VanDerWaalsContact C-N 3.31Å; R73-K75 PolarHBondContact O-N 3.2Å
74S57.7Low59Low96 Ų96133.3 Ų133.367%0.67172%0.716SS**SBendtrans-90.612.3-178.9-42.70000113.7
75K63.1Low58.8Low205 Ų205129 Ų12989%0.89171%0.706SS**SBendtrans-144.181175.3-75.8-174.5173.9-177.70110.5R73R73-K75 VanDerWaalsContact C-N 3.31Å; R73-K75 PolarHBondContact O-N 3.2Å
76S60.6Low58.4Low69 Ų69132.9 Ų132.948%0.48371%0.71SS.*  trans-167.341.7165.370.10000112.8
77M56.6Low58Low176 Ų176131.5 Ų131.587%0.86770%0.695SS**SBendtrans-110.8-9.2176.9-157.1175.97100113.7
78T57Low58Low129 Ų129132.3 Ų132.379%0.79169%0.692SS**SBendtrans-130.75.5-17555.60000114.2
79A55.1Low58Low88 Ų88133.1 Ų133.173%0.72769%0.686SS**SBendtrans-109.73.6-175.800000114.5
80E53.7Low58.1Low136 Ų136134.3 Ų134.364%0.63669%0.688SS**SBendtrans-117.37.2-179.4-66.5-164.8-176.300114
81L56.7Low58.2Low122 Ų122133.5 Ų133.564%0.63968%0.684SS**Hα-helixtrans-82.4-17.8179.5-66.9-174.6000114.1L84L81-L84 HydrophobicContact CD2-CD1 4.18Å
82E60Low58.1Low173 Ų173132.6 Ų132.681%0.80869%0.685SS**Hα-helixtrans-83.1-13.4178-69.3176.1173.700113.4
83E58.9Low58Low146 Ų146130.4 Ų130.468%0.68268%0.679SS**Hα-helixtrans-91.3-19175.9-80.3-175.8156.900113.6
84L55.6Low57.7Low100 Ų100124.5 Ų124.552%0.52467%0.671SS.*Hα-helixtrans-75.3-30.5179.9-72.2175.4000113.4L81 K86 L87L81-L84 HydrophobicContact CD2-CD1 4.18Å; L84-K86 PolarHBondContact O-N 3.44Å; L84-L87 HydrophobicContact CD2-CD1 4.46Å; L84-L87 PolarHBondContact O-N 3.15Å; L84-L87 VanDerWaalsContact O-N 3.16Å
85E59.2Low57.5Low153 Ų153123.4 Ų123.472%0.71567%0.668SS**Hα-helixtrans-65.2-23.2179.6-68.8-176.6166.700113.1
86K59.7Low56.7Low155 Ų155121.2 Ų121.267%0.67466%0.661SS**Hα-helixtrans-80.8-19.3176.8-71.2176.4-179.5171.40113.8L84L84-K86 PolarHBondContact O-N 3.44Å
87L57Low55.9Low94 Ų94123.2 Ų123.249%0.49267%0.672SS.*Hα-helixtrans-82.6-26.8178.9-66-176000112.5L84 E89 I90 L91L84-L87 HydrophobicContact CD2-CD1 4.46Å; L84-L87 PolarHBondContact O-N 3.15Å; L84-L87 VanDerWaalsContact O-N 3.16Å; L87-E89 VanDerWaalsContact C-N 3.35Å; L87-E89 PolarHBondContact O-N 3.44Å; L87-I90 PolarHBondContact O-N 3.14Å; L87-L91 PolarHBondContact O-N 3.25Å
88D62Low55.6Low113 Ų113120.1 Ų120.160%0.60466%0.664SS**Hα-helixtrans-68.2-31.6179.6-83.1-15000112.7L91 A92D88-L91 PolarHBondContact O-N 3.46Å; D88-A92 WeakPolarHBondContact O-CB 3.35Å; D88-A92 PolarHBondContact O-N 3.38Å
89E59.1Low55.4Low152 Ų152121.7 Ų121.771%0.7167%0.666SS**Hα-helixtrans-66.7-35.1172-83.5-174.7160.700112.7L87 V93L87-E89 VanDerWaalsContact C-N 3.35Å; L87-E89 PolarHBondContact O-N 3.44Å; E89-V93 WeakPolarHBondContact O-CG2 3.09Å; E89-V93 PolarHBondContact O-N 2.94Å
90I59.9Low55.1Low119 Ų119128.4 Ų128.461%0.6167%0.673SS**Hα-helixtrans-76.2-35.6179.1-58.7174.4000110.5L87 V93 A94L87-I90 PolarHBondContact O-N 3.14Å; I90-V93 PolarHBondContact O-N 3.13Å; I90-A94 PolarHBondContact O-N 2.87Å
91L58.9Low55Low114 Ų114126.9 Ų126.960%0.59768%0.675SS**Hα-helixtrans-72-33.4176.4-79.6166.3000112.7L87 D88 V93 A94 A95L87-L91 PolarHBondContact O-N 3.25Å; D88-L91 PolarHBondContact O-N 3.46Å; L91-V93 PolarHBondContact O-N 3.23Å; L91-A94 PolarHBondContact O-N 3.26Å; L91-A95 PolarHBondContact O-N 3.04Å
92A56.4Low54.9Low75 Ų75126.9 Ų126.962%0.6268%0.675SS**Hα-helixtrans-65-28.4173.200000112.8D88D88-A92 WeakPolarHBondContact O-CB 3.35Å; D88-A92 PolarHBondContact O-N 3.38Å
93V54.5Low54.6Low131 Ų131125.8 Ų125.879%0.79467%0.674SS**Hα-helixtrans-78.3-23.3175.3173.50000112.5E89 I90 L91E89-V93 WeakPolarHBondContact O-CG2 3.09Å; E89-V93 PolarHBondContact O-N 2.94Å; I90-V93 PolarHBondContact O-N 3.13Å; L91-V93 PolarHBondContact O-N 3.23Å
94A50.2Low54.4Low68 Ų68122.9 Ų122.956%0.56267%0.674SS**SBendtrans-89.5-1.6179.200000114.1I90 L91 E96I90-A94 PolarHBondContact O-N 2.87Å; L91-A94 PolarHBondContact O-N 3.26Å; A94-E96 VanDerWaalsContact C-N 3.28Å; A94-E96 PolarHBondContact O-N 2.87Å
95A54.2Low54.2Low74 Ų74123.5 Ų123.561%0.61268%0.678SS**  trans-81.361.8-177.500000113L91L91-A95 PolarHBondContact O-N 3.04Å
96E45.5Very low53.9Low159 Ų159119.8 Ų119.874%0.74367%0.674SS**  trans-166.399.7153.1-91.2-50.6148.900106A94A94-E96 VanDerWaalsContact C-N 3.28Å; A94-E96 PolarHBondContact O-N 2.87Å
97P43.4Very low53.7Low110 Ų110119.2 Ų119.271%0.71468%0.678SS**  -150129.596.432.3-12.1000114.2
98T51.2Low53.5Low111 Ų111119.4 Ų119.468%0.68169%0.687SS**  9.2116.7126-570000115.3
99L52.3Low53.1Low162 Ų162124.8 Ų124.885%0.84870%0.699SS**  169.4126.4124.8-83.8177.7000110.9
100R48.4Very low53.3Low230 Ų230121.1 Ų121.187%0.86870%0.695SS**  trans-40132.3170.3-93.7-91.1161.5155.2-8.2114.4D102R100-D102 PolarHBondContact O-N 3.43Å
101P52.7Low53.5Low103 Ų103119.5 Ų119.567%0.66970%0.699SS**  trans-81.9112.9153.829.3-26.8000109.8
102D53.3Low53.9Low123 Ų123120.7 Ų120.766%0.65871%0.711SS**  trans-66.5128.7169.4-179.922.8000110.6R100 A104R100-D102 PolarHBondContact O-N 3.43Å; D102-A104 PolarHBondContact O-N 2.92Å
103I54.4Low54.4Low150 Ų150123.1 Ų123.177%0.76972%0.718SS**SBendtrans14.5-15159.1-50.7173000121.2D105I103-D105 VanDerWaalsContact C-N 3.25Å; I103-D105 PolarHBondContact O-N 3.43Å
104A54.6Low55.3Low84 Ų84126 Ų12669%0.69472%0.72SS**G310 helixtrans-66.3-1517700000115.2D102 A106D102-A104 PolarHBondContact O-N 2.92Å; A104-A106 PolarHBondContact O-N 3.07Å
105D51.7Low55.8Low114 Ų114130 Ų13061%0.6173%0.727SS**G310 helixtrans-71.6-13.1178.7-103.3-48.5000114.2I103I103-D105 VanDerWaalsContact C-N 3.25Å; I103-D105 PolarHBondContact O-N 3.43Å
106A51.8Low56.5Low75 Ų75133 Ų13362%0.6272%0.722SS**G310 helixtrans-71.3-34-177.600000113.2A104A104-A106 PolarHBondContact O-N 3.07Å
107D55.8Low57.5Low143 Ų143129.5 Ų129.577%0.76571%0.713SS**THydrogen-bonded Turntrans-92.2-12.9-177.3-71.8-33.4000113.4R109 A110D107-R109 VanDerWaalsContact C-N 3.26Å; D107-R109 PolarHBondContact O-N 3.45Å; D107-A110 WeakPolarHBondContact O-CB 3.24Å; D107-A110 PolarHBondContact O-N 3.11Å
108S53.1Low58.5Low97 Ų97128.8 Ų128.868%0.67871%0.707SS**THydrogen-bonded Turntrans-71-18.3175.2-168.20000113.3A110S108-A110 VanDerWaalsContact C-N 3.26Å; S108-A110 PolarHBondContact O-N 3.3Å
109R54.3Low59.1Low227 Ų227128.6 Ų128.686%0.85771%0.71SS**THydrogen-bonded Turntrans-80.33.7172.7-85.8-175.976.5-1536.5114.4D107 A111D107-R109 VanDerWaalsContact C-N 3.26Å; D107-R109 PolarHBondContact O-N 3.45Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 3.3Å
110A61.8Low59.7Low75 Ų75129 Ų12962%0.6270%0.701SS**  trans-65.794.8172.600000109.8D107 S108 T112D107-A110 WeakPolarHBondContact O-CB 3.24Å; D107-A110 PolarHBondContact O-N 3.11Å; S108-A110 VanDerWaalsContact C-N 3.26Å; S108-A110 PolarHBondContact O-N 3.3Å; A110-T112 PolarHBondContact O-N 3.35Å
111A64.9Low61Low85 Ų85125.7 Ų125.770%0.70269%0.688SS**  trans-55.7114.2174.400000109.1R109 V113R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 3.3Å; A111-V113 PolarHBondContact O-N 3.24Å
112T68.2Low62.1Low139 Ų139126 Ų12685%0.85368%0.683SS**  trans-69.287.3171.748.90000108.4A110 K114A110-T112 PolarHBondContact O-N 3.35Å; T112-K114 PolarHBondContact O-N 3.11Å
113V67.1Low63.5Low125 Ų125123.5 Ų123.576%0.75867%0.672SS**  trans-65.3106.8171.5176.30000106.4A111 Q115A111-V113 PolarHBondContact O-N 3.24Å; V113-Q115 PolarHBondContact O-N 3.07Å
114K71.4Confident64.8Low193 Ų193121 Ų12184%0.83967%0.666SS**  trans-44.4130.8170.7-71.2-161.4177-173.20108.4T112 R116T112-K114 PolarHBondContact O-N 3.11Å; K114-R116 PolarHBondContact O-N 3.25Å
115Q62.5Low66.2Low152 Ų152120.3 Ų120.371%0.7166%0.66SS**  trans-48.3107.4179.8-177.3-179-5.700108.8V113V113-Q115 PolarHBondContact O-N 3.07Å
116R68.1Low67.9Low136 Ų136119.7 Ų119.751%0.51365%0.654SS.*  trans-59.4131.1173.8-166.9178-175.7103.9-6.8105.8K114 T118 R120K114-R116 PolarHBondContact O-N 3.25Å; R116-T118 PolarHBondContact O-N 2.86Å; R116-T118 VanDerWaalsContact O-N 3.17Å; R116-R120 HydrophobicContact CG-CB 4.2Å
117P66.6Low69.6Low85 Ų85119.5 Ų119.555%0.55264%0.641SS**  trans-44.7128.1177.9-29.834.7000109.6S119 R120P117-S119 PolarHBondContact O-N 3.24Å; P117-R120 PolarHBondContact O-N 3.34Å
118T64.6Low71Confident96 Ų96115.7 Ų115.759%0.58963%0.626SS**G310 helixtrans-57.7-17.4-175.549.30000112.2R116 R120 R121R116-T118 PolarHBondContact O-N 2.86Å; R116-T118 VanDerWaalsContact O-N 3.17Å; T118-R120 PolarHBondContact O-N 2.87Å; T118-R120 VanDerWaalsContact O-N 3.13Å; T118-R121 PolarHBondContact O-N 3.17Å
119S63.6Low72.6Confident107 Ų107112.8 Ų112.875%0.74861%0.606SS**G310 helixtrans-60.5-14.5168.765.40000114.9P117P117-S119 PolarHBondContact O-N 3.24Å
120R65.3Low74.2Confident170 Ų170106.1 Ų106.164%0.64259%0.587SS**G310 helixtrans-106.92.9172.4-69.3-172.6177.8-177.10.5113.6R116 P117 T118R116-R120 HydrophobicContact CG-CB 4.2Å; P117-R120 PolarHBondContact O-N 3.34Å; T118-R120 PolarHBondContact O-N 2.87Å; T118-R120 VanDerWaalsContact O-N 3.13Å
121R74.4Confident75.2Confident160 Ų160105.6 Ų105.660%0.60457%0.57SS**SBendtrans-95.2113.4171.9-68.5-170.1177.6-154.8-1.8107T118 T123T118-R121 PolarHBondContact O-N 3.17Å; R121-T123 PolarHBondContact O-N 2.97Å
122I76.9Confident76.2Confident109 Ų109108.8 Ų108.856%0.55957%0.571SS**  trans-63.4124177.7-52.7175.5000107.5E126 I127I122-E126 VanDerWaalsContact CA-OE2 3.24Å; I122-E126 WeakPolarHBondContact CA-OE2 3.32Å; I122-E126 HydrophobicContact CG2-CB 3.74Å; I122-I127 HydrophobicContact CB-CG1 4.39Å; I122-I127 HydrophobicContact CG2-CD1 4.36Å; I122-I127 HydrophobicContact CG2-CG1 3.56Å
123T82.7Confident76.8Confident71 Ų71112.1 Ų112.144%0.43657%0.568SS.*  trans-76.1147.6-179.3-57.20000109.5R121 A125 E126 I127R121-T123 PolarHBondContact O-N 2.97Å; T123-A125 HydrophobicContact CG2-CB 4.28Å; T123-A125 PolarHBondContact O-N 3.09Å; T123-A125 VanDerWaalsContact O-N 3.09Å; T123-E126 PolarHBondContact N-OE2 3.01Å; T123-E126 WeakPolarHBondContact O-CA 3.46Å; T123-E126 WeakPolarHBondContact O-CB 3.48Å; T123-E126 PolarHBondContact O-N 3.27Å; T123-I127 PolarHBondContact O-N 3.22Å
124P81.8Confident77.5Confident99 Ų99111.9 Ų111.964%0.64356%0.558SS**Hα-helixtrans-50.7-36.6175.3-29.836.3000113.8I127 S128P124-I127 WeakPolarHBondContact O-CB 3.48Å; P124-I127 PolarHBondContact O-N 2.98Å; P124-S128 PolarHBondContact O-N 2.99Å; P124-S128 PolarHBondContact O-OG 3.26Å
125A84.3Confident77.4Confident68 Ų68105.9 Ų105.956%0.56255%0.551SS**Hα-helixtrans-66-35.1174.700000113.8T123 I127 S128 S129T123-A125 HydrophobicContact CG2-CB 4.28Å; T123-A125 PolarHBondContact O-N 3.09Å; T123-A125 VanDerWaalsContact O-N 3.09Å; A125-I127 VanDerWaalsContact C-N 3.34Å; A125-S128 PolarHBondContact O-N 3.16Å; A125-S129 WeakPolarHBondContact O-CB 3.36Å; A125-S129 PolarHBondContact O-N 2.92Å
126E86.9Confident77.7Confident102 Ų102103 Ų10348%0.47754%0.54SS..Hα-helixtrans-69.2-37.1174.3-66.6170.2170.600110.6I122 T123 S129 L130I122-E126 VanDerWaalsContact CA-OE2 3.24Å; I122-E126 WeakPolarHBondContact CA-OE2 3.32Å; I122-E126 HydrophobicContact CG2-CB 3.74Å; T123-E126 PolarHBondContact N-OE2 3.01Å; T123-E126 WeakPolarHBondContact O-CA 3.46Å; T123-E126 WeakPolarHBondContact O-CB 3.48Å; T123-E126 PolarHBondContact O-N 3.27Å; E126-S129 PolarHBondContact O-N 3.2Å; E126-L130 WeakPolarHBondContact O-CG 3.18Å; E126-L130 PolarHBondContact O-N 2.81Å
127I86.6Confident77.3Confident71 Ų71102.2 Ų102.236%0.36455%0.553SS.*Hα-helixtrans-61.7-49.1173-61.2174.2000109.7I122 T123 P124 A125 S129 L130 F131I122-I127 HydrophobicContact CB-CG1 4.39Å; I122-I127 HydrophobicContact CG2-CD1 4.36Å; I122-I127 HydrophobicContact CG2-CG1 3.56Å; T123-I127 PolarHBondContact O-N 3.22Å; P124-I127 WeakPolarHBondContact O-CB 3.48Å; P124-I127 PolarHBondContact O-N 2.98Å; A125-I127 VanDerWaalsContact C-N 3.34Å; I127-S129 PolarHBondContact O-N 2.8Å; I127-L130 WeakPolarHBondContact O-CB 3.36Å; I127-L130 PolarHBondContact O-N 3.03Å; I127-F131 HydrophobicContact CG2-CD2 3.99Å; I127-F131 HydrophobicContact CG2-CE2 3.48Å; I127-F131 VanDerWaalsContact CG2-CE2 3.48Å; I127-F131 WeakPolarHBondContact O-CD2 3.2Å; I127-F131 PolarHBondContact O-N 3.32Å
128S86.2Confident77.1Confident62 Ų6299.7 Ų99.743%0.43454%0.542SS..Hα-helixtrans-59.8-43.4176.6-59.40000112.5P124 A125 L130 F131 E132P124-S128 PolarHBondContact O-N 2.99Å; P124-S128 PolarHBondContact O-OG 3.26Å; A125-S128 PolarHBondContact O-N 3.16Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 2.84Å; S128-F131 PolarHBondContact O-N 3.39Å; S128-F131 VanDerWaalsContact O-N 3.11Å; S128-E132 PolarHBondContact O-N 3.47Å; S128-E132 VanDerWaalsContact O-N 3.11Å
129S86.4Confident77Confident37 Ų3799.9 Ų99.926%0.25955%0.545SS..Hα-helixtrans-63.3-34.3178.1-173.10000113A125 E126 I127 F131 R133A125-S129 WeakPolarHBondContact O-CB 3.36Å; A125-S129 PolarHBondContact O-N 2.92Å; E126-S129 PolarHBondContact O-N 3.2Å; I127-S129 PolarHBondContact O-N 2.8Å; S129-F131 VanDerWaalsContact C-N 3.34Å; S129-R133 WeakPolarHBondContact O-CG 3.41Å; S129-R133 PolarHBondContact O-N 3.15Å; S129-R133 VanDerWaalsContact O-N 3.15Å; S129-R133 PolarHBondContact OG-NE 3.3Å
130L87.6Confident76.7Confident87 Ų87101.9 Ų101.946%0.45554%0.543SS..Hα-helixtrans-63.6-39.7173.9-72.8171.4000112E126 I127 S128 Q134E126-L130 WeakPolarHBondContact O-CG 3.18Å; E126-L130 PolarHBondContact O-N 2.81Å; I127-L130 WeakPolarHBondContact O-CB 3.36Å; I127-L130 PolarHBondContact O-N 3.03Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 2.84Å; L130-Q134 WeakPolarHBondContact O-CB 3.08Å; L130-Q134 WeakPolarHBondContact O-CG 3.4Å; L130-Q134 PolarHBondContact O-N 3.23Å; L130-Q134 VanDerWaalsContact O-N 3.14Å; L130-Q134 PolarHBondContact O-NE2 2.83Å
131F83.8Confident76.3Confident63 Ų63102.8 Ų102.828%0.27655%0.551SS.*Hα-helixtrans-66.6-43.1177.7-74.4-68.9000112.2I127 S128 S129 R133 Q134 G135 L136 P139I127-F131 HydrophobicContact CG2-CD2 3.99Å; I127-F131 HydrophobicContact CG2-CE2 3.48Å; I127-F131 VanDerWaalsContact CG2-CE2 3.48Å; I127-F131 WeakPolarHBondContact O-CD2 3.2Å; I127-F131 PolarHBondContact O-N 3.32Å; S128-F131 PolarHBondContact O-N 3.39Å; S128-F131 VanDerWaalsContact O-N 3.11Å; S129-F131 VanDerWaalsContact C-N 3.34Å; F131-R133 PolarHBondContact O-N 3.32Å; F131-Q134 PolarHBondContact O-N 3.23Å; F131-G135 PolarHBondContact O-N 3.28Å; F131-G135 VanDerWaalsContact O-N 3.07Å; F131-L136 HydrophobicContact CD1-CB 4.02Å; F131-L136 PolarHBondContact O-N 3.38Å; F131-P139 HydrophobicContact CE2-CG 4.27Å
132E85.2Confident75Confident153 Ų153103.4 Ų103.472%0.71557%0.566SS**Hα-helixtrans-59.8-44176.9-70.9173.5176.900112.3S128 Q134 G135S128-E132 PolarHBondContact O-N 3.47Å; S128-E132 VanDerWaalsContact O-N 3.11Å; E132-Q134 VanDerWaalsContact C-N 3.32Å; E132-Q134 PolarHBondContact O-N 3.02Å; E132-G135 PolarHBondContact O-N 3.14Å
133R80.8Confident73.7Confident208 Ų208104 Ų10479%0.78558%0.577SS**Hα-helixtrans-72.3-25.5180-67.3174.1-173.5-87.3-1.5113.3S129 F131S129-R133 WeakPolarHBondContact O-CG 3.41Å; S129-R133 PolarHBondContact O-N 3.15Å; S129-R133 VanDerWaalsContact O-N 3.15Å; S129-R133 PolarHBondContact OG-NE 3.3Å; F131-R133 PolarHBondContact O-N 3.32Å
134Q80.8Confident72.4Confident121 Ų121104 Ų10457%0.56559%0.591SS**Hα-helixtrans-90.2-5.7178.6-68.9173.347.600112.7L130 F131 E132 L136L130-Q134 WeakPolarHBondContact O-CB 3.08Å; L130-Q134 WeakPolarHBondContact O-CG 3.4Å; L130-Q134 PolarHBondContact O-N 3.23Å; L130-Q134 VanDerWaalsContact O-N 3.14Å; L130-Q134 PolarHBondContact O-NE2 2.83Å; F131-Q134 PolarHBondContact O-N 3.23Å; E132-Q134 VanDerWaalsContact C-N 3.32Å; E132-Q134 PolarHBondContact O-N 3.02Å; Q134-L136 HydrophobicContact CB-CD1 4.21Å; Q134-L136 HydrophobicContact CB-CG 4.15Å; Q134-L136 PolarHBondContact O-N 3.48Å
135G71.2Confident71Confident67 Ų67103.6 Ų103.669%0.69159%0.59SS**THydrogen-bonded Turntrans63.421-177.800000113.4F131 E132F131-G135 PolarHBondContact O-N 3.28Å; F131-G135 VanDerWaalsContact O-N 3.07Å; E132-G135 PolarHBondContact O-N 3.14Å
136L66.9Low69.7Low91 Ų91108.6 Ų108.648%0.47661%0.607SS.*PPolyproline II helixtrans-91.1133.1179.8-70.9176.7000109.2F131 Q134 G138F131-L136 HydrophobicContact CD1-CB 4.02Å; F131-L136 PolarHBondContact O-N 3.38Å; Q134-L136 HydrophobicContact CB-CD1 4.21Å; Q134-L136 HydrophobicContact CB-CG 4.15Å; Q134-L136 PolarHBondContact O-N 3.48Å; L136-G138 PolarHBondContact O-N 3.16Å
137P59.7Low68.3Low119 Ų119113.8 Ų113.877%0.77362%0.622SS**PPolyproline II helixtrans-60129.3173.125.5-31.3000108.6
138G62.8Low66.8Low33 Ų33119.1 Ų119.134%0.3464%0.643SS.*PPolyproline II helixtrans-56.9168.7-176.400000113.8L136 E140L136-G138 PolarHBondContact O-N 3.16Å; G138-E140 PolarHBondContact O-N 2.63Å
139P62.5Low65.1Low100 Ų100119.7 Ų119.765%0.64966%0.658SS**SBendtrans-71.41.2-168.229.7-34.1000114.7F131 K141F131-P139 HydrophobicContact CE2-CG 4.27Å; P139-K141 PolarHBondContact O-N 3.24Å
140E57.5Low63.9Low149 Ų149125.2 Ų125.270%0.69668%0.683SS**SBendtrans-82.897.7173.144.3-123122.200111.7G138G138-E140 PolarHBondContact O-N 2.63Å
141K57.1Low62.3Low188 Ų188126.9 Ų126.982%0.81770%0.699SS**  trans114.969.1162.3-56.9150.3-167.4179.80114.3P139P139-K141 PolarHBondContact O-N 3.24Å
142L48.1Very low60.8Low173 Ų173134.3 Ų134.391%0.90673%0.725SS**  trans-10997.6148.3-70.9-175.8000109.4G144L142-G144 PolarHBondContact O-N 3.48Å
143P48.4Very low59Low123 Ų123132.7 Ų132.780%0.79973%0.726SS**  trans-75112166.430.3-27.1000107.9
144G55.1Low57.5Low71 Ų71132.3 Ų132.373%0.73273%0.73SS**  trans73.197.7162.300000116.4L142L142-G144 PolarHBondContact O-N 3.48Å
145S54Low55.9Low89 Ų89131.9 Ų131.962%0.62274%0.74SS**  trans-141.768.3142.3-123.60000110.7R147S145-R147 PolarHBondContact O-N 3.5Å; S145-R147 WeakPolarHBondContact OG-CG 3.15Å; S145-R147 PolarHBondContact OG-NE 2.98Å
146L56.4Low54.8Low173 Ų173135.4 Ų135.491%0.90675%0.748SS**  trans-60.571.4149.3-170.781.3000107.9K148L146-K148 PolarHBondContact O-N 3.21Å; L146-K148 VanDerWaalsContact O-N 3.15Å
147R56.5Low53.4Low212 Ų212136.1 Ų136.180%0.876%0.756SS**  trans-84.493.1173.4-67.5-126.5-168.4-1804.9108S145S145-R147 PolarHBondContact O-N 3.5Å; S145-R147 WeakPolarHBondContact OG-CG 3.15Å; S145-R147 PolarHBondContact OG-NE 2.98Å
148K55Low52.8Low183 Ų183136.1 Ų136.180%0.79675%0.754SS**  trans43.4110.3143.5-88.278.1177.4-175.80115.5L146L146-K148 PolarHBondContact O-N 3.21Å; L146-K148 VanDerWaalsContact O-N 3.15Å
149G50.8Low51.5Low74 Ų74143 Ų14376%0.76378%0.777SS**  trans-46.7141.4163.400000111.8P151G149-P151 WeakPolarHBondContact O-CD 3.4Å
150I61.5Low50.9Low153 Ų153142.8 Ų142.879%0.78578%0.775SS**  trans-84108.4175.3-59159.4000106.5R152I150-R152 PolarHBondContact O-N 3.39Å; I150-R152 VanDerWaalsContact O-N 3.14Å
151P54.9Low50Low121 Ų121142 Ų14279%0.78678%0.775SS**  trans-74.7107.9164.530.1-30.2000107.7G149G149-P151 WeakPolarHBondContact O-CD 3.4Å
152R52.3Low49.2Very low219 Ų219141 Ų14183%0.82677%0.773SS**  trans-65.7142.9158.5-65.9171.482.8112-5.2107.5I150I150-R152 PolarHBondContact O-N 3.39Å; I150-R152 VanDerWaalsContact O-N 3.14Å
153T46.4Very low49.3Very low120 Ų120138.3 Ų138.374%0.73677%0.766SS**  trans92.211416172.80000118.9
154K49.8Very low48.8Very low199 Ų199137.2 Ų137.287%0.86577%0.767SS**  trans55.7115.3133.7-54.2-176.1-175.4-173.50118.8
155S47.3Very low48Very low112 Ų112145.1 Ų145.178%0.78378%0.775SS**  -172.8129.8116.849.60000112.4
156V47.3Very low47.1Very low141 Ų141147.1 Ų147.186%0.85578%0.784SS**  trans-70.1122.2156.11660000106.6
157V39.1Very low46.1Very low106 Ų106148.3 Ų148.364%0.64279%0.785SS**  trans-146.9110.4157172.40000109.1Q159V157-Q159 HydrophobicContact CG1-CG 4.03Å
158V45.7Very low45.1Very low120 Ų120141.3 Ų141.373%0.72778%0.779SS**  trans-55.7130.5156.6168.30000108.9P160V158-P160 HydrophobicContact CG1-CG 4.4Å
159Q36.6Very low44.4Very low178 Ų178138.3 Ų138.383%0.83278%0.781SS**  trans-126121.6163.6-73.1-166.10.900110V157V157-Q159 HydrophobicContact CG1-CG 4.03Å
160P50.3Low43.9Very low94 Ų94139.4 Ų139.461%0.6178%0.782SS**  trans-110.1174.516725.8-6.3000112.5V158V158-P160 HydrophobicContact CG1-CG 4.4Å
161L37.8Very low43.1Very low132 Ų132138.7 Ų138.769%0.69178%0.78SS**  trans85.2131.3166.8-61.4100.9000116.1
162H40.9Very low42.2Very low167 Ų167143.7 Ų143.777%0.77378%0.783SS**  cis-158.2173.947.8-94.3-71.5000113.7
163P49.8Very low41.5Very low118 Ų118136.5 Ų136.577%0.76678%0.777SS**  trans-113.4173.6-139.142.7-36.3000116.4
164A37.7Very low41.1Very low99 Ų99135.3 Ų135.382%0.81878%0.78SS**  trans-133.1114.3163.500000112.5
165R38.1Very low40.5Very low237 Ų237134.9 Ų134.989%0.89478%0.778SS**  trans45.8109146.7-85.9178170.9169.5-3.2122.5
166T35.8Very low39.9Very low132 Ų132135.2 Ų135.281%0.8178%0.779SS**  12.5118.5124.26.70000120.3
167Q35.5Very low39.3Very low197 Ų197137.2 Ų137.292%0.92178%0.779SS**  172.1145.3109.7-106.3-170.36.500111.2
168G35.2Very low39Very low65 Ų65137.7 Ų137.767%0.6779%0.786SS**  trans115.587.9145.300000118.1
169S40Very low38.5Very low121 Ų121136.7 Ų136.785%0.84679%0.79SS**  trans51111.113760.70000120.5
170A40.3Very low38.7Very low96 Ų96136.6 Ų136.679%0.79379%0.789SS**  trans-58136.515300000111.9
171L44.2Very low38.7Very low139 Ų139137 Ų13773%0.72879%0.791SS**  trans-165.8113.4142.6-87.6-169.3000110.6
172R36.3Very low38.9Very low225 Ų225138 Ų13885%0.84980%0.797SS**  69.8133.6130-141.3-168.8-54.6-96.73.4120.1
173G37.2Very low39.5Very low69 Ų69135.2 Ų135.271%0.71179%0.794SS**  trans122.389.2151.600000113.3
174A38.3Very low39.2Very low95 Ų95137.7 Ų137.779%0.78580%0.8SS**  86.8131.968.600000114.6
175K38Very low39.4Very low190 Ų190139.1 Ų139.183%0.82680%0.798SS**  trans92.5106.4157.4-63.4-179.3175.6-177.40117.2
176C33.8Very low39.7Very low119 Ų119135.8 Ų135.880%0.80480%0.797SS**  71.7101.473.1-60.70000110.4
177E34.5Very low39.9Very low182 Ų182135.1 Ų135.185%0.8580%0.797SS**  78.4133.178.9-169.9162.8122.500114.4
178C33.5Very low40.2Very low117 Ų117130.8 Ų130.879%0.79180%0.795SS**  trans71.2113.5164.7-88.80000119
179A34.2Very low40.5Very low98 Ų98132.3 Ų132.381%0.8180%0.801SS**  165.4114.1105.700000111.3
180Q41.9Very low40.9Very low177 Ų177134.9 Ų134.983%0.82780%0.804SS**  trans-84.5161.3139.9-72.4-94.5-30.700106
181P49.6Very low40.8Very low101 Ų101134.6 Ų134.666%0.65680%0.802SS**  cis-160.4-179.84142.8-18.5000119
182L42.5Very low40.6Very low154 Ų154138 Ų13881%0.80681%0.811SS**  trans78.6166.7152.2-43.8-175.4000120.7
183P52.5Low40.9Very low109 Ų109132.1 Ų132.171%0.70881%0.805SS**  -125.7162.8-115.419.39.3000111.5
184L44.4Very low41.2Very low170 Ų170139.9 Ų139.989%0.8981%0.813SS**  trans-138.2106.9169-73.4174.4000111.1
185T41.6Very low40.9Very low129 Ų129143.6 Ų143.679%0.79182%0.819SS**  trans-47.9137.2148.732.50000111.4
186I44.5Very low41.1Very low167 Ų167143.7 Ų143.786%0.85681%0.814SS**  trans-158.9132.5138.2-88.2137.8000108.2
187S40.3Very low41.5Very low118 Ų118143.9 Ų143.983%0.82581%0.814SS**  trans-73.1151.5173.8-73.80000112.4
188A41.3Very low41.7Very low105 Ų105141.7 Ų141.787%0.86880%0.804SS**  trans-148.7117.5151.100000110.4
189A41.8Very low41.6Very low97 Ų97141.7 Ų141.780%0.80280%0.803SS**  trans-70.9141.8176.200000111.6
190L47.8Very low41.5Very low175 Ų175148.6 Ų148.692%0.91681%0.809SS**  trans-129.9110.3152.5-82172.2000109
191A39Very low41.7Very low91 Ų91145.6 Ų145.675%0.75280%0.804SS**  trans-61.4127.8164.800000109.3
192F39.9Very low40.8Very low209 Ų209145.5 Ų145.592%0.91781%0.812SS**  trans-117.4117.4156-132.9-94.2000108.5
193S42.2Very low40.7Very low102 Ų102143.5 Ų143.571%0.71381%0.811SS**  trans-64.8129.8-172.9-64.50000112.3
194R42.9Very low39.9Very low232 Ų232143.2 Ų143.288%0.87582%0.818SS**  trans15.6110.7131.4-55.8-179.4-162-92.1-0.4116
195L33.4Very low39.8Very low174 Ų174143.1 Ų143.191%0.91182%0.817SS**  trans-143.491.5131.7-144.376.8000108.8
196W40.9Very low39.4Very low192 Ų192142.2 Ų142.273%0.72782%0.815SS**  trans-93.3133.1173.8-178.4-94.6000108.3Q198W196-Q198 VanDerWaalsContact CZ2-CD 3.45Å; W196-Q198 HydrophobicContact CZ2-CG 3.56Å
197P43.8Very low39.1Very low123 Ų123140.7 Ų140.780%0.79981%0.814SS**  trans-118.2104.7150.75.815.3000110
198Q38Very low39Very low136 Ų136143.4 Ų143.464%0.63681%0.813SS**  trans-84.8124.6155.1-105.7176.2-6.700108.8W196W196-Q198 VanDerWaalsContact CZ2-CD 3.45Å; W196-Q198 HydrophobicContact CZ2-CG 3.56Å
199C31Very low38.9Very low116 Ų116142.7 Ų142.778%0.78481%0.808SS**  38.9123128.7-53.30000119.7
200R32.3Very low39.3Very low244 Ų244143.4 Ų143.492%0.92180%0.804SS**  -149134.6129.2-132.9-178.1-164.9-163.14.8112.4
201P45.2Very low38.8Very low114 Ų114139.7 Ų139.774%0.7480%0.799SS**  trans-94.8175.5170.537.6-31.5000111.8
202A31.1Very low38.7Very low99 Ų99139.8 Ų139.882%0.81880%0.799SS**  trans103.2110.1160.700000117.2
203S40.8Very low39Very low112 Ų112137.9 Ų137.978%0.78380%0.798SS**  -156105.5127.636.40000108.9
204A36.6Very low39.3Very low103 Ų103142 Ų14285%0.85181%0.806SS**  trans-65137.4159.500000108.8
205I41.3Very low39.5Very low168 Ų168138.9 Ų138.986%0.86280%0.801SS**  trans-143.3136.3160.17.1173.7000108.5
206S33.2Very low39.9Very low109 Ų109137.9 Ų137.976%0.76280%0.802SS**  trans-68.4155.4-164.5-63.30000115.6
207T38.8Very low40.1Very low135 Ų135139.5 Ų139.583%0.82881%0.808SS**  32.3108.4128.1-41.80000118.1
208E37.4Very low40.3Very low175 Ų175139.9 Ų139.982%0.81881%0.812SS**  trans-155.8118133.1-154.9178.6130.800110.6
209A40.4Very low40.5Very low90 Ų90136.6 Ų136.674%0.74482%0.815SS**  trans-88.7144.4155.300000107.4
210P49.1Very low41.1Very low112 Ų112142.6 Ų142.673%0.72782%0.821SS**  -132.9149.3126.426.1-10.3000113.2
211A37.5Very low41.7Very low98 Ų98139 Ų13981%0.8182%0.819SS**  trans-69.1172.4176.700000113.3
212A38.1Very low41.5Very low92 Ų92138.3 Ų138.376%0.7682%0.823SS**  trans86.495.5154.200000118.2
213L45.2Very low42.1Very low170 Ų170136.7 Ų136.789%0.8982%0.816SS**  -15362123.7-141.1108.2000111.4Q215L213-Q215 PolarHBondContact O-N 3.46Å
214E47.6Very low42.2Very low187 Ų187140 Ų14087%0.87482%0.819SS**  trans-89.779.3161.4-120.4-80128.400106.8
215Q47.2Very low42.6Very low168 Ų168142 Ų14279%0.78581%0.81SS**  trans-150.571.9168.5-71.9-158.710.400111.4L213L213-Q215 PolarHBondContact O-N 3.46Å
216V42.9Very low43.4Very low153 Ų153139.5 Ų139.593%0.92781%0.805SS**  trans-125.364.4140.2-175.10000106.5C218V216-C218 PolarHBondContact O-N 3.37Å
217R44.2Very low44.2Very low226 Ų226141.4 Ų141.485%0.85381%0.806SS**  trans-68.3118.7172.5-166.4179.6-165178.64.3107.8G219R217-G219 PolarHBondContact O-N 3.39Å
218C48.9Very low44.7Very low130 Ų130146.2 Ų146.288%0.87881%0.809SS**  trans12.9103.8138.7-59.20000114.7V216V216-C218 PolarHBondContact O-N 3.37Å
219G40.9Very low45.2Very low67 Ų67149.5 Ų149.569%0.69181%0.814SS**  trans-158.165.5178.800000113R217R217-G219 PolarHBondContact O-N 3.39Å
220R44Very low45.9Very low242 Ų242149.8 Ų149.891%0.91382%0.816SS**  trans-166.999.9135.8-143.9166.5-72.9-105.80.9111.1
221L44.5Very low46.2Very low168 Ų168150.3 Ų150.388%0.8882%0.82SS**  trans-75.8144.9154-73.4166.7000108.6
222A42.5Very low47.3Very low101 Ų101157 Ų15784%0.83582%0.824SS**  trans71.7138.614600000120.7
223G43.8Very low48.5Very low64 Ų64158.8 Ų158.866%0.6683%0.828SS**  trans85.4127.7165.600000113
224E43.1Very low49Very low181 Ų181158.4 Ų158.485%0.84683%0.826SS**  cis-165.2144.323.6-81.6-73.1103.500107.2
225H43.8Very low49.3Very low146 Ų146161.4 Ų161.468%0.67683%0.829SS**  trans-73.6146.4164.2-154-58.9000108.4L227H225-L227 VanDerWaalsContact CE1-CG 3.5Å; H225-L227 WeakPolarHBondContact CE1-CG 3.37Å; H225-L227 PolarHBondContact ND1-N 3Å
226P57.8Low49.5Very low116 Ų116156.8 Ų156.875%0.75383%0.826SS**  trans-134.9122.7131.224.2-7.3000113R228P226-R228 PolarHBondContact O-N 3.42Å
227L51Low50.1Low148 Ų148159.3 Ų159.378%0.77585%0.846SS**  trans-61.5116.1158.6-75.6163.8000108.8H225H225-L227 VanDerWaalsContact CE1-CG 3.5Å; H225-L227 WeakPolarHBondContact CE1-CG 3.37Å; H225-L227 PolarHBondContact ND1-N 3Å
228R48.3Very low50.4Low237 Ų237156 Ų15689%0.89485%0.845SS**  trans-149.798.8148.7-82.1-145.6171.6-1651.3108.4P226P226-R228 PolarHBondContact O-N 3.42Å
229R48.8Very low50.4Low243 Ų243157.3 Ų157.392%0.91784%0.844SS**  5899.193.9-82.8-171.7177.2173.80.3115
230A55.2Low51Low97 Ų97162.3 Ų162.380%0.80285%0.852SS**  trans72.1165132.300000120.4
231P55.1Low51.4Low122 Ų122157.6 Ų157.679%0.79285%0.849SS**  cis-126.8168.5-32.728.1-8000113.4
232R59.7Low51.8Low239 Ų239157 Ų15790%0.90285%0.847SS**PPolyproline II helixtrans-65.5143.9167.9-64.9176.3173.6169.3-2.9111.3
233P64.6Low52.4Low130 Ų130160.7 Ų160.784%0.84485%0.847SS**PPolyproline II helixtrans-88.2125.4155.224.5-14.2000110.7
234L55.8Low53Low162 Ų162167.6 Ų167.685%0.84886%0.861SS**PPolyproline II helixtrans-87.1160.5160.2-79.8163.9000109.7
235R52.4Low53.8Low250 Ų250166.6 Ų166.694%0.94386%0.862SS**  trans84.1125.4175.7-69.1-177.4166-148.9-4.6114.5
236G51.4Low54.6Low70 Ų70168.3 Ų168.372%0.72288%0.878SS**  cis104.7161.636.700000108.4
237P55.6Low54.3Low206 Ų206173.1 Ų173.1100%1.33889%0.889SS**  cis-9700.438.9-32.7000114.8

Retrieved 237 of 237 residues in 180.1 ms (Link to these results)