A0A077Z6I1_TRITR Loading...

HIRA-interacting protein 3

AlphaFold DB , UniProt , Accession A0A077Z6I1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 477 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
1M73.7Confident82.4Confident178 Ų178120 Ų12088%0.87757%0.569SS**  0-57.10-85.4-175175.300113D3 R4 Y5 F60M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 3.34Å; M1-D3 VanDerWaalsContact O-N 3.14Å; M1-R4 PolarHBondContact O-N 3.48Å; M1-Y5 PolarHBondContact O-N 2.75Å; M1-F60 HydrophobicContact CE-CD2 4.24Å; M1-F60 HydrophobicContact CE-CE2 4.07Å
2L77.4Confident82.4Confident129 Ų129120.3 Ų120.368%0.67558%0.575SS**Hα-helixtrans-47.9-43.3-174.4-77.7160.7000114.8R4 Y5 L6L2-R4 PolarHBondContact O-N 3.26Å; L2-Y5 WeakPolarHBondContact O-CB 3.28Å; L2-Y5 PolarHBondContact O-N 3.23Å; L2-Y5 VanDerWaalsContact O-N 3.12Å; L2-L6 WeakPolarHBondContact O-CG 3.22Å; L2-L6 PolarHBondContact O-N 3.17Å
3D81.9Confident82.9Confident102 Ų102123.3 Ų123.355%0.54558%0.584SS.*Hα-helixtrans-64.5-37.7179.3-17152.7000113.5M1 Y5 L6 Q7M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 3.34Å; M1-D3 VanDerWaalsContact O-N 3.14Å; D3-Y5 VanDerWaalsContact C-N 3.32Å; D3-Y5 PolarHBondContact O-N 3.13Å; D3-L6 PolarHBondContact O-N 3.11Å; D3-Q7 WeakPolarHBondContact O-CG 3.47Å; D3-Q7 PolarHBondContact O-N 3.49Å; D3-Q7 PolarHBondContact OD2-NE2 3.07Å; D3-Q7 VanDerWaalsContact OD2-NE2 3.14Å
4R81.2Confident83.2Confident188 Ų188128.5 Ų128.571%0.70960%0.595SS**Hα-helixtrans-63.1-38.9171.9-72.3-169.9-178.4-177.71.9111.5M1 L2 Q7 T8M1-R4 PolarHBondContact O-N 3.48Å; L2-R4 PolarHBondContact O-N 3.26Å; R4-Q7 PolarHBondContact O-N 2.65Å; R4-T8 WeakPolarHBondContact O-CG2 3.19Å; R4-T8 PolarHBondContact O-N 2.8Å; R4-T8 PolarHBondContact O-OG1 3.23Å
5Y82.2Confident83.6Confident153 Ų153131.1 Ų131.160%0.660%0.598SS**Hα-helixtrans-67-38.7176.4-175.6-92000112.3M1 L2 D3 T8 S9M1-Y5 PolarHBondContact O-N 2.75Å; L2-Y5 WeakPolarHBondContact O-CB 3.28Å; L2-Y5 PolarHBondContact O-N 3.23Å; L2-Y5 VanDerWaalsContact O-N 3.12Å; D3-Y5 VanDerWaalsContact C-N 3.32Å; D3-Y5 PolarHBondContact O-N 3.13Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.37Å; Y5-T8 PolarHBondContact O-OG1 3.07Å; Y5-T8 VanDerWaalsContact O-OG1 3.04Å; Y5-S9 WeakPolarHBondContact O-CB 3.35Å; Y5-S9 PolarHBondContact O-N 3.11Å
6L85.5Confident83.4Confident98 Ų98134.2 Ų134.251%0.51360%0.603SS.*Hα-helixtrans-65.1-42.7172.6-71.2170.2000111.2L2 D3 S9 L10L2-L6 WeakPolarHBondContact O-CG 3.22Å; L2-L6 PolarHBondContact O-N 3.17Å; D3-L6 PolarHBondContact O-N 3.11Å; L6-S9 PolarHBondContact O-N 3.25Å; L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 WeakPolarHBondContact O-CD1 3.48Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.5Å; L6-L10 PolarHBondContact O-N 3.35Å
7Q86.3Confident83.6Confident88 Ų88130.4 Ų130.441%0.41160%0.595SS.*Hα-helixtrans-64.4-42.3175.4-72.1-171.929.500113.2D3 R4 L10 R11D3-Q7 WeakPolarHBondContact O-CG 3.47Å; D3-Q7 PolarHBondContact O-N 3.49Å; D3-Q7 PolarHBondContact OD2-NE2 3.07Å; D3-Q7 VanDerWaalsContact OD2-NE2 3.14Å; R4-Q7 PolarHBondContact O-N 2.65Å; Q7-L10 PolarHBondContact O-N 2.97Å; Q7-R11 VanDerWaalsContact O-CG 3.3Å; Q7-R11 WeakPolarHBondContact O-CG 3.29Å; Q7-R11 PolarHBondContact O-N 2.84Å
8T84Confident83.6Confident68 Ų68128.9 Ų128.942%0.41759%0.591SS.*Hα-helixtrans-66.8-43.2176.153.40000111.5R4 Y5 L10 R11 L12R4-T8 WeakPolarHBondContact O-CG2 3.19Å; R4-T8 PolarHBondContact O-N 2.8Å; R4-T8 PolarHBondContact O-OG1 3.23Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.37Å; Y5-T8 PolarHBondContact O-OG1 3.07Å; Y5-T8 VanDerWaalsContact O-OG1 3.04Å; T8-L10 PolarHBondContact O-N 2.81Å; T8-R11 PolarHBondContact O-N 2.8Å; T8-L12 PolarHBondContact O-N 3.27Å
9S81.4Confident83.6Confident56 Ų56129.5 Ų129.539%0.39259%0.588SS.*Hα-helixtrans-58.7-43.8173.6-176.10000112.2Y5 L6 L12 K13Y5-S9 WeakPolarHBondContact O-CB 3.35Å; Y5-S9 PolarHBondContact O-N 3.11Å; L6-S9 PolarHBondContact O-N 3.25Å; S9-L12 PolarHBondContact O-N 3.23Å; S9-K13 WeakPolarHBondContact O-CB 3.36Å; S9-K13 PolarHBondContact O-N 2.81Å
10L85.6Confident83.5Confident93 Ų93129.2 Ų129.249%0.48759%0.585SS.*Hα-helixtrans-63.5-40.2174.1-78.3163.4000112.5L6 Q7 T8 K13 R14L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 WeakPolarHBondContact O-CD1 3.48Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.5Å; L6-L10 PolarHBondContact O-N 3.35Å; Q7-L10 PolarHBondContact O-N 2.97Å; T8-L10 PolarHBondContact O-N 2.81Å; L10-K13 PolarHBondContact O-N 3.44Å; L10-R14 WeakPolarHBondContact O-CG 3.33Å; L10-R14 PolarHBondContact O-N 3.34Å
11R87.1Confident83.5Confident167 Ų167127.3 Ų127.363%0.6358%0.58SS**Hα-helixtrans-65-42.7175.5-73173.9-173.4-164.63.6112Q7 T8 R14 R15Q7-R11 VanDerWaalsContact O-CG 3.3Å; Q7-R11 WeakPolarHBondContact O-CG 3.29Å; Q7-R11 PolarHBondContact O-N 2.84Å; T8-R11 PolarHBondContact O-N 2.8Å; R11-R14 PolarHBondContact O-N 2.76Å; R11-R15 PolarHBondContact O-N 2.8Å; R11-R15 VanDerWaalsContact O-N 3.17Å
12L82.7Confident83.9Confident123 Ų123124.2 Ų124.264%0.64457%0.566SS**Hα-helixtrans-60.9-46.8173.3-81.4155000111.3T8 S9 R14 R15 W16T8-L12 PolarHBondContact O-N 3.27Å; S9-L12 PolarHBondContact O-N 3.23Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.87Å; L12-R15 PolarHBondContact O-N 3.28Å; L12-W16 PolarHBondContact O-N 3.15Å; L12-W16 VanDerWaalsContact O-N 3.11Å
13K88.2Confident84Confident160 Ų160124.2 Ų124.270%0.69656%0.561SS**Hα-helixtrans-64-34179.3-158.3170.7-172.2176.90112.9S9 L10 W16S9-K13 WeakPolarHBondContact O-CB 3.36Å; S9-K13 PolarHBondContact O-N 2.81Å; L10-K13 PolarHBondContact O-N 3.44Å; K13-W16 WeakPolarHBondContact O-CB 3.45Å
14R88.2Confident83.9Confident196 Ų196127.9 Ų127.974%0.7457%0.567SS**Hα-helixtrans-70-26.4171.2-72-179.2-162.2-161.36.6113.6L10 R11 L12 P17L10-R14 WeakPolarHBondContact O-CG 3.33Å; L10-R14 PolarHBondContact O-N 3.34Å; R11-R14 PolarHBondContact O-N 2.76Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.87Å; R14-P17 WeakPolarHBondContact O-CD 3.31Å
15R88.1Confident83.9Confident167 Ų167124 Ų12463%0.6357%0.565SS**Hα-helixtrans-85-16.7176.1-76.4-175.9169.2-168.4-3.9114R11 L12 P17 I18 W19R11-R15 PolarHBondContact O-N 2.8Å; R11-R15 VanDerWaalsContact O-N 3.17Å; L12-R15 PolarHBondContact O-N 3.28Å; R15-P17 VanDerWaalsContact C-CD 3.43Å; R15-I18 WeakPolarHBondContact O-CB 3.37Å; R15-I18 PolarHBondContact O-N 3.04Å; R15-I18 VanDerWaalsContact O-N 3.11Å; R15-W19 PolarHBondContact O-N 3.44Å; R15-W19 VanDerWaalsContact O-N 3.15Å
16W81.3Confident83.9Confident181 Ų181120 Ų12069%0.68656%0.563SS**Hα-helixtrans-53.3-39.5179.7-165.2-96.3000115.3L12 K13 W19 K20L12-W16 PolarHBondContact O-N 3.15Å; L12-W16 VanDerWaalsContact O-N 3.11Å; K13-W16 WeakPolarHBondContact O-CB 3.45Å; W16-W19 PolarHBondContact O-N 2.8Å; W16-K20 WeakPolarHBondContact O-CB 3.42Å; W16-K20 PolarHBondContact O-N 2.86Å
17P85.9Confident83.5Confident70 Ų70122.5 Ų122.546%0.45558%0.577SS.*Hα-helixtrans-62.9-43.5175.3-21.534.5000112.5R14 R15 W19 K20 D21R14-P17 WeakPolarHBondContact O-CD 3.31Å; R15-P17 VanDerWaalsContact C-CD 3.43Å; P17-W19 VanDerWaalsContact C-N 3.32Å; P17-W19 PolarHBondContact O-N 2.83Å; P17-K20 WeakPolarHBondContact O-CB 3.37Å; P17-K20 PolarHBondContact O-N 2.76Å; P17-K20 VanDerWaalsContact O-N 3.09Å; P17-D21 PolarHBondContact O-N 2.73Å
18I84.7Confident82.9Confident103 Ų103121.8 Ų121.853%0.52858%0.58SS.*Hα-helixtrans-60.9-43.4179.5-56.4172.6000110.3R15 D21 L22R15-I18 WeakPolarHBondContact O-CB 3.37Å; R15-I18 PolarHBondContact O-N 3.04Å; R15-I18 VanDerWaalsContact O-N 3.11Å; I18-D21 PolarHBondContact O-N 3.38Å; I18-L22 HydrophobicContact CG2-CD1 4.27Å; I18-L22 PolarHBondContact O-N 3.43Å
19W82.3Confident82.7Confident141 Ų141121.6 Ų121.653%0.53458%0.58SS.*Hα-helixtrans-64.3-39.8175.4-80.751.8000112.1R15 W16 P17 D21 L22 F23R15-W19 PolarHBondContact O-N 3.44Å; R15-W19 VanDerWaalsContact O-N 3.15Å; W16-W19 PolarHBondContact O-N 2.8Å; P17-W19 VanDerWaalsContact C-N 3.32Å; P17-W19 PolarHBondContact O-N 2.83Å; W19-D21 VanDerWaalsContact C-N 3.31Å; W19-D21 PolarHBondContact O-N 2.98Å; W19-L22 PolarHBondContact O-N 3.21Å; W19-F23 WeakPolarHBondContact O-CD2 3.34Å; W19-F23 PolarHBondContact O-N 3.28Å
20K83.1Confident82.7Confident123 Ų123125.9 Ų125.954%0.53561%0.607SS.*Hα-helixtrans-64.5-34.4177.7-169.9178.4-176.2179.40112.6W16 P17 R24W16-K20 WeakPolarHBondContact O-CB 3.42Å; W16-K20 PolarHBondContact O-N 2.86Å; P17-K20 WeakPolarHBondContact O-CB 3.37Å; P17-K20 PolarHBondContact O-N 2.76Å; P17-K20 VanDerWaalsContact O-N 3.09Å; K20-R24 PolarHBondContact O-N 3.42Å
21D82.7Confident82.7Confident89 Ų89127.7 Ų127.748%0.47662%0.617SS.*Hα-helixtrans-77.7-38.7176.6-66.2-27.9000111.5P17 I18 W19 F23 R24 T25P17-D21 PolarHBondContact O-N 2.73Å; I18-D21 PolarHBondContact O-N 3.38Å; W19-D21 VanDerWaalsContact C-N 3.31Å; W19-D21 PolarHBondContact O-N 2.98Å; D21-F23 VanDerWaalsContact C-N 3.35Å; D21-F23 PolarHBondContact O-N 2.65Å; D21-R24 CarbonylContact O-C 3.45Å; D21-R24 WeakPolarHBondContact O-CA 3.49Å; D21-R24 WeakPolarHBondContact O-CB 3.3Å; D21-R24 PolarHBondContact O-N 3.44Å; D21-T25 PolarHBondContact O-N 3.22Å; D21-T25 PolarHBondContact O-OG1 3.09Å
22L81.5Confident82.3Confident113 Ų113126 Ų12659%0.59261%0.611SS**Hα-helixtrans-55.8-46.8170.2-114.1127.2000112.2I18 W19 R24 T25 A26I18-L22 HydrophobicContact CG2-CD1 4.27Å; I18-L22 PolarHBondContact O-N 3.43Å; W19-L22 PolarHBondContact O-N 3.21Å; L22-R24 PolarHBondContact O-N 3.04Å; L22-T25 WeakPolarHBondContact CA-OG1 3.45Å; L22-T25 PolarHBondContact O-N 3.01Å; L22-T25 PolarHBondContact O-OG1 3.39Å; L22-A26 PolarHBondContact O-N 3.37Å; L22-A26 VanDerWaalsContact O-N 3.14Å
23F80Confident82.6Confident130 Ų130123.2 Ų123.257%0.5760%0.601SS**Hα-helixtrans-63.6-23173.9-97.5-77.1000113.6W19 D21 V41W19-F23 WeakPolarHBondContact O-CD2 3.34Å; W19-F23 PolarHBondContact O-N 3.28Å; D21-F23 VanDerWaalsContact C-N 3.35Å; D21-F23 PolarHBondContact O-N 2.65Å; F23-V41 HydrophobicContact CE1-CG1 4.04Å; F23-V41 HydrophobicContact CE1-CG2 3.94Å; F23-V41 HydrophobicContact CZ-CG1 4.08Å; F23-V41 HydrophobicContact CZ-CG2 4.47Å
24R79.9Confident82.6Confident178 Ų178125.5 Ų125.567%0.67261%0.606SS**Hα-helixtrans-87.6-25177.8-156.7-167.9-65-122.113.4112.5K20 D21 L22K20-R24 PolarHBondContact O-N 3.42Å; D21-R24 CarbonylContact O-C 3.45Å; D21-R24 WeakPolarHBondContact O-CA 3.49Å; D21-R24 WeakPolarHBondContact O-CB 3.3Å; D21-R24 PolarHBondContact O-N 3.44Å; L22-R24 PolarHBondContact O-N 3.04Å
25T82.3Confident82.7Confident108 Ų108123.2 Ų123.266%0.66360%0.601SS**Hα-helixtrans-85.5-19.8175.148.80000113.9D21 L22 N27D21-T25 PolarHBondContact O-N 3.22Å; D21-T25 PolarHBondContact O-OG1 3.09Å; L22-T25 WeakPolarHBondContact CA-OG1 3.45Å; L22-T25 PolarHBondContact O-N 3.01Å; L22-T25 PolarHBondContact O-OG1 3.39Å; T25-N27 PolarHBondContact O-N 3.37Å
26A80.8Confident82.8Confident68 Ų68117.7 Ų117.756%0.56259%0.588SS**  trans-74.983.3176.400000111.3L22 P28L22-A26 PolarHBondContact O-N 3.37Å; L22-A26 VanDerWaalsContact O-N 3.14Å; A26-P28 WeakPolarHBondContact O-CD 3.43Å
27N78.3Confident83.1Confident150 Ų150111 Ų11180%0.80257%0.567SS**PPolyproline II helixtrans-63.3120167.2-82.6-46.4000109.2T25T25-N27 PolarHBondContact O-N 3.37Å
28P73.3Confident83.4Confident74 Ų74113.4 Ų113.448%0.48158%0.576SS.*PPolyproline II helixtrans-66.8149.8173.329.3-34000110.1A26A26-P28 WeakPolarHBondContact O-CD 3.43Å
29P80.1Confident83.8Confident63 Ų63114.4 Ų114.441%0.40958%0.581SS.*PPolyproline II helixtrans-60.7143.1174.926.8-34.6000110.4N31 W32P29-N31 PolarHBondContact O-N 3.45Å; P29-W32 HydrophobicContact CG-CB 4.23Å; P29-W32 HydrophobicContact CG-CD2 4.08Å; P29-W32 HydrophobicContact CG-CG 3.75Å; P29-W32 PolarHBondContact O-N 3.2Å
30P80.7Confident84.4Confident146 Ų146110.3 Ų110.395%0.94857%0.572SS**THydrogen-bonded Turntrans-67.2-9-164.625.8-35.8000115.1
31N86Confident84.9Confident131 Ų131107 Ų10770%0.70156%0.561SS**THydrogen-bonded Turntrans-98.6-2.1177.660.3-9.6000113.9P29P29-N31 PolarHBondContact O-N 3.45Å
32W79.6Confident85.5Confident133 Ų133106.4 Ų106.450%0.50456%0.561SS.*  trans-87.8118.3-179.9-83.234.6000112P29 W34 T40P29-W32 HydrophobicContact CG-CB 4.23Å; P29-W32 HydrophobicContact CG-CD2 4.08Å; P29-W32 HydrophobicContact CG-CG 3.75Å; P29-W32 PolarHBondContact O-N 3.2Å; W32-W34 PolarHBondContact O-N 2.83Å; W32-T40 HydrophobicContact CZ3-CG2 4.47Å
33S88Confident86.1Confident63 Ų63104.1 Ų104.144%0.44155%0.554SS.*  trans-55.4126.4166.7174.60000110.2K35 S36 T37S33-K35 PolarHBondContact O-N 3.18Å; S33-K35 PolarHBondContact OG-N 2.86Å; S33-S36 WeakPolarHBondContact O-CA 3.4Å; S33-S36 VanDerWaalsContact O-CB 3.29Å; S33-S36 WeakPolarHBondContact O-CB 3.47Å; S33-S36 PolarHBondContact O-N 3.02Å; S33-T37 PolarHBondContact O-N 3.29Å
34W87.6Confident86.9Confident209 Ų209102.7 Ų102.779%0.79255%0.552SS**Hα-helixtrans-45.6-30.8172.163.4-56.9000114.3W32 L38W32-W34 PolarHBondContact O-N 2.83Å; W34-L38 WeakPolarHBondContact O-CB 3.48Å; W34-L38 PolarHBondContact O-N 3.2Å
35K90.5Very high87.6Confident148 Ų14897 Ų9764%0.64354%0.542SS*.Hα-helixtrans-65.3-39.7173.7-61.7-176.4179.1-1790112.6S33 L38 L39S33-K35 PolarHBondContact O-N 3.18Å; S33-K35 PolarHBondContact OG-N 2.86Å; K35-L38 PolarHBondContact O-N 3.31Å; K35-L39 WeakPolarHBondContact O-CB 3.47Å; K35-L39 PolarHBondContact O-N 2.93Å
36S89.9Confident88.2Confident50 Ų5095.9 Ų95.935%0.3554%0.535SS..Hα-helixtrans-68.3-43.5176.4-171.40000111.4S33 L38 L39 T40S33-S36 WeakPolarHBondContact O-CA 3.4Å; S33-S36 VanDerWaalsContact O-CB 3.29Å; S33-S36 WeakPolarHBondContact O-CB 3.47Å; S33-S36 PolarHBondContact O-N 3.02Å; S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L38 PolarHBondContact O-N 2.97Å; S36-L39 PolarHBondContact O-N 3.13Å; S36-T40 WeakPolarHBondContact O-CG2 3.32Å; S36-T40 PolarHBondContact O-N 2.84Å; S36-T40 PolarHBondContact O-OG1 3.04Å
37T88.3Confident88.9Confident41 Ų4197.5 Ų97.525%0.25253%0.531SS..Hα-helixtrans-63.2-40175-45.10000111.7S33 T40 V41S33-T37 PolarHBondContact O-N 3.29Å; T37-T40 WeakPolarHBondContact CA-OG1 3.49Å; T37-T40 PolarHBondContact O-OG1 3.29Å; T37-T40 VanDerWaalsContact O-OG1 3.07Å; T37-V41 WeakPolarHBondContact O-CB 3.49Å; T37-V41 VanDerWaalsContact O-CG2 3.24Å; T37-V41 WeakPolarHBondContact O-CG2 3.32Å; T37-V41 PolarHBondContact O-N 3.14Å; T37-V41 VanDerWaalsContact O-N 3.08Å
38L91.7Very high89.7Confident121 Ų12195 Ų9563%0.63452%0.518SS*.Hα-helixtrans-63.9-45.4174.3-166.879.2000111.4W34 K35 S36 V41 V42W34-L38 WeakPolarHBondContact O-CB 3.48Å; W34-L38 PolarHBondContact O-N 3.2Å; K35-L38 PolarHBondContact O-N 3.31Å; S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L38 PolarHBondContact O-N 2.97Å; L38-V41 PolarHBondContact O-N 3.18Å; L38-V42 WeakPolarHBondContact O-CB 3.32Å; L38-V42 VanDerWaalsContact O-CG2 3.31Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.08Å
39L94.5Very high90.7Very high124 Ų12498.5 Ų98.565%0.64953%0.525SS*.Hα-helixtrans-65-41.3-178.8-172.764.9000112.2K35 S36 V42 C43K35-L39 WeakPolarHBondContact O-CB 3.47Å; K35-L39 PolarHBondContact O-N 2.93Å; S36-L39 PolarHBondContact O-N 3.13Å; L39-V42 PolarHBondContact O-N 2.87Å; L39-C43 VanDerWaalsContact O-CB 3.27Å; L39-C43 WeakPolarHBondContact O-CB 3.39Å; L39-C43 PolarHBondContact O-N 3.45Å
40T92.8Very high91.4Very high54 Ų5498.4 Ų98.433%0.33152%0.524SS..Hα-helixtrans-67.1-40.9176.148.80000112W32 S36 T37 C43 L44W32-T40 HydrophobicContact CZ3-CG2 4.47Å; S36-T40 WeakPolarHBondContact O-CG2 3.32Å; S36-T40 PolarHBondContact O-N 2.84Å; S36-T40 PolarHBondContact O-OG1 3.04Å; T37-T40 WeakPolarHBondContact CA-OG1 3.49Å; T37-T40 PolarHBondContact O-OG1 3.29Å; T37-T40 VanDerWaalsContact O-OG1 3.07Å; T40-C43 PolarHBondContact O-N 3.44Å; T40-L44 WeakPolarHBondContact O-CB 3.27Å; T40-L44 WeakPolarHBondContact O-CG 3.31Å; T40-L44 PolarHBondContact O-N 3.17Å
41V94.1Very high92.1Very high53 Ų5399 Ų9932%0.32151%0.512SS..Hα-helixtrans-64-41.6174.2170.40000111.9F23 T37 L38 A45F23-V41 HydrophobicContact CE1-CG1 4.04Å; F23-V41 HydrophobicContact CE1-CG2 3.94Å; F23-V41 HydrophobicContact CZ-CG1 4.08Å; F23-V41 HydrophobicContact CZ-CG2 4.47Å; T37-V41 WeakPolarHBondContact O-CB 3.49Å; T37-V41 VanDerWaalsContact O-CG2 3.24Å; T37-V41 WeakPolarHBondContact O-CG2 3.32Å; T37-V41 PolarHBondContact O-N 3.14Å; T37-V41 VanDerWaalsContact O-N 3.08Å; L38-V41 PolarHBondContact O-N 3.18Å; V41-A45 WeakPolarHBondContact O-CB 3.47Å; V41-A45 PolarHBondContact O-N 3.42Å
42V94.9Very high92.5Very high78 Ų7897.1 Ų97.147%0.47351%0.505SS..Hα-helixtrans-65.2-42.7174.8170.40000111L38 L39 A45 V46L38-V42 WeakPolarHBondContact O-CB 3.32Å; L38-V42 VanDerWaalsContact O-CG2 3.31Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.08Å; L39-V42 PolarHBondContact O-N 2.87Å; V42-A45 PolarHBondContact O-N 3.29Å; V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 2.86Å
43C95.2Very high93.2Very high64 Ų6498.3 Ų98.343%0.43251%0.509SS..Hα-helixtrans-61.1-48177.6-169.40000111.8L39 T40 A45 V46 Q47L39-C43 VanDerWaalsContact O-CB 3.27Å; L39-C43 WeakPolarHBondContact O-CB 3.39Å; L39-C43 PolarHBondContact O-N 3.45Å; T40-C43 PolarHBondContact O-N 3.44Å; C43-A45 VanDerWaalsContact C-N 3.33Å; C43-A45 PolarHBondContact O-N 2.91Å; C43-V46 PolarHBondContact O-N 3.36Å; C43-Q47 WeakPolarHBondContact O-CG 3.42Å; C43-Q47 PolarHBondContact O-N 3.41Å
44L96Very high93.6Very high101 Ų10199.1 Ų99.153%0.52951%0.514SS..Hα-helixtrans-62.1-38.2175.2-71.4171.5000112.3T40 Q47 L48T40-L44 WeakPolarHBondContact O-CB 3.27Å; T40-L44 WeakPolarHBondContact O-CG 3.31Å; T40-L44 PolarHBondContact O-N 3.17Å; L44-Q47 PolarHBondContact O-N 2.96Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 VanDerWaalsContact O-CG 3.31Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.11Å
45A94.6Very high93.9Very high57 Ų5795.2 Ų95.247%0.47150%0.503SS..Hα-helixtrans-65.6-40.6176.100000112.3V41 V42 C43 F49V41-A45 WeakPolarHBondContact O-CB 3.47Å; V41-A45 PolarHBondContact O-N 3.42Å; V42-A45 PolarHBondContact O-N 3.29Å; C43-A45 VanDerWaalsContact C-N 3.33Å; C43-A45 PolarHBondContact O-N 2.91Å; A45-F49 WeakPolarHBondContact O-CB 3.42Å; A45-F49 PolarHBondContact O-N 3.48Å
46V94.9Very high93.9Very high85 Ų8593.2 Ų93.252%0.51550%0.496SS..Hα-helixtrans-65.7-45.8174.31720000110.8V42 C43 L48 F49 T50V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 2.86Å; C43-V46 PolarHBondContact O-N 3.36Å; V46-L48 PolarHBondContact O-N 3.02Å; V46-F49 PolarHBondContact O-N 3.17Å; V46-T50 PolarHBondContact O-N 3.45Å; V46-T50 PolarHBondContact O-OG1 3.37Å
47Q95.2Very high94.1Very high102 Ų10295.6 Ų95.648%0.47750%0.504SS..Hα-helixtrans-59.4-45.2176.1-75.3179.1-23.100112.3C43 L44 F49 T50 F51C43-Q47 WeakPolarHBondContact O-CG 3.42Å; C43-Q47 PolarHBondContact O-N 3.41Å; L44-Q47 PolarHBondContact O-N 2.96Å; Q47-F49 VanDerWaalsContact C-N 3.32Å; Q47-F49 PolarHBondContact O-N 2.95Å; Q47-T50 PolarHBondContact O-N 3.15Å; Q47-T50 PolarHBondContact O-OG1 2.89Å; Q47-F51 WeakPolarHBondContact O-CB 3.44Å; Q47-F51 WeakPolarHBondContact O-CD2 3.44Å; Q47-F51 PolarHBondContact O-N 3.42Å
48L96.2Very high94.4Very high99 Ų99101 Ų10152%0.51852%0.52SS..Hα-helixtrans-64.2-37.9175.9-73.2172.2000111.9L44 V46 F51 V52L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 VanDerWaalsContact O-CG 3.31Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.11Å; V46-L48 PolarHBondContact O-N 3.02Å; L48-F51 PolarHBondContact O-N 3.39Å; L48-V52 WeakPolarHBondContact O-CB 3.38Å; L48-V52 VanDerWaalsContact O-CG2 3.3Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 2.91Å
49F94.2Very high94.5Very high146 Ų146101.2 Ų101.264%0.6451%0.513SS*.Hα-helixtrans-66.4-42.6176.9-167.1-93.4000112A45 V46 Q47 V52 W53A45-F49 WeakPolarHBondContact O-CB 3.42Å; A45-F49 PolarHBondContact O-N 3.48Å; V46-F49 PolarHBondContact O-N 3.17Å; Q47-F49 VanDerWaalsContact C-N 3.32Å; Q47-F49 PolarHBondContact O-N 2.95Å; F49-V52 PolarHBondContact O-N 3.18Å; F49-W53 WeakPolarHBondContact O-CB 3.48Å; F49-W53 PolarHBondContact O-N 3Å
50T94.2Very high94.2Very high62 Ų62100.4 Ų100.438%0.3851%0.505SS..Hα-helixtrans-67-40.817555.20000111.9V46 Q47 W53 C54V46-T50 PolarHBondContact O-N 3.45Å; V46-T50 PolarHBondContact O-OG1 3.37Å; Q47-T50 PolarHBondContact O-N 3.15Å; Q47-T50 PolarHBondContact O-OG1 2.89Å; T50-W53 PolarHBondContact O-N 3.44Å; T50-C54 WeakPolarHBondContact O-CB 3.46Å; T50-C54 PolarHBondContact O-N 3.38Å; T50-C54 PolarHBondContact O-SG 2.96Å
51F95.2Very high94Very high158 Ų158100.2 Ų100.269%0.69351%0.509SS*.Hα-helixtrans-60.5-45.6174.3-99.6-82.3000112.7Q47 L48 F55Q47-F51 WeakPolarHBondContact O-CB 3.44Å; Q47-F51 WeakPolarHBondContact O-CD2 3.44Å; Q47-F51 PolarHBondContact O-N 3.42Å; L48-F51 PolarHBondContact O-N 3.39Å; F51-F55 VanDerWaalsContact O-CB 3.27Å; F51-F55 WeakPolarHBondContact O-CB 3.33Å; F51-F55 PolarHBondContact O-N 3Å
52V94.7Very high93.7Very high91 Ų91100.6 Ų100.655%0.55251%0.509SS*.Hα-helixtrans-64.9-41.1177.1170.50000111.1L48 F49 F55 E56L48-V52 WeakPolarHBondContact O-CB 3.38Å; L48-V52 VanDerWaalsContact O-CG2 3.3Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 2.91Å; F49-V52 PolarHBondContact O-N 3.18Å; V52-F55 PolarHBondContact O-N 3.11Å; V52-E56 WeakPolarHBondContact O-CG 3.48Å; V52-E56 PolarHBondContact O-N 3.27Å
53W94.6Very high93.2Very high158 Ų15898.6 Ų98.660%0.59850%0.501SS*.Hα-helixtrans-68.1-42.9179.1-170.218.7000112.3F49 T50 F55 E56 L57F49-W53 WeakPolarHBondContact O-CB 3.48Å; F49-W53 PolarHBondContact O-N 3Å; T50-W53 PolarHBondContact O-N 3.44Å; W53-F55 VanDerWaalsContact C-N 3.34Å; W53-F55 PolarHBondContact O-N 3.14Å; W53-E56 PolarHBondContact O-N 3.29Å; W53-L57 HydrophobicContact CG-CD1 4.47Å; W53-L57 WeakPolarHBondContact O-CB 3.46Å; W53-L57 WeakPolarHBondContact O-CG 2.83Å; W53-L57 PolarHBondContact O-N 3.37Å
54C95.3Very high92.3Very high80 Ų80100.8 Ų100.854%0.54151%0.505SS..Hα-helixtrans-63.6-38173.1-70.50000112.1T50 L57 W58T50-C54 WeakPolarHBondContact O-CB 3.46Å; T50-C54 PolarHBondContact O-N 3.38Å; T50-C54 PolarHBondContact O-SG 2.96Å; C54-L57 PolarHBondContact O-N 2.93Å; C54-W58 VanDerWaalsContact O-CB 3.3Å; C54-W58 WeakPolarHBondContact O-CB 3.41Å; C54-W58 PolarHBondContact O-N 2.97Å
55F94.3Very high91.3Very high127 Ų12799.7 Ų99.756%0.55750%0.502SS*.Hα-helixtrans-67.2-42.4176.3-173.5-93.1000112.3F51 V52 W53 W58 Y59F51-F55 VanDerWaalsContact O-CB 3.27Å; F51-F55 WeakPolarHBondContact O-CB 3.33Å; F51-F55 PolarHBondContact O-N 3Å; V52-F55 PolarHBondContact O-N 3.11Å; W53-F55 VanDerWaalsContact C-N 3.34Å; W53-F55 PolarHBondContact O-N 3.14Å; F55-W58 HydrophobicContact CE2-CE3 4.35Å; F55-W58 HydrophobicContact CE2-CZ3 4.31Å; F55-W58 PolarHBondContact O-N 3.26Å; F55-Y59 WeakPolarHBondContact O-CB 3.2Å; F55-Y59 PolarHBondContact O-N 2.96Å
56E91.1Very high89.8Confident106 Ų106101.3 Ų101.350%0.49551%0.509SS..Hα-helixtrans-61.6-43.3172.6-78.7-79.7174.200111.7V52 W53 Y59 F60V52-E56 WeakPolarHBondContact O-CG 3.48Å; V52-E56 PolarHBondContact O-N 3.27Å; W53-E56 PolarHBondContact O-N 3.29Å; E56-Y59 PolarHBondContact O-N 2.95Å; E56-F60 VanDerWaalsContact O-CB 3.3Å; E56-F60 WeakPolarHBondContact O-CB 3.2Å; E56-F60 PolarHBondContact O-N 3.43Å
57L93.1Very high88.1Confident101 Ų101103 Ų10353%0.52952%0.515SS..Hα-helixtrans-63.5-44.8176.2-73.8169.6000112.3W53 C54 F60 A61W53-L57 HydrophobicContact CG-CD1 4.47Å; W53-L57 WeakPolarHBondContact O-CB 3.46Å; W53-L57 WeakPolarHBondContact O-CG 2.83Å; W53-L57 PolarHBondContact O-N 3.37Å; C54-L57 PolarHBondContact O-N 2.93Å; L57-F60 PolarHBondContact O-N 3.3Å; L57-A61 WeakPolarHBondContact O-CB 3.37Å; L57-A61 PolarHBondContact O-N 3.23Å
58W95.2Very high86.3Confident153 Ų153102.4 Ų102.458%0.5852%0.515SS*.Hα-helixtrans-65.3-41.5176.5-179.682.5000112.1C54 F55 A61 N62C54-W58 VanDerWaalsContact O-CB 3.3Å; C54-W58 WeakPolarHBondContact O-CB 3.41Å; C54-W58 PolarHBondContact O-N 2.97Å; F55-W58 HydrophobicContact CE2-CE3 4.35Å; F55-W58 HydrophobicContact CE2-CZ3 4.31Å; F55-W58 PolarHBondContact O-N 3.26Å; W58-A61 PolarHBondContact O-N 3.42Å; W58-N62 WeakPolarHBondContact CZ2-ND2 3.48Å; W58-N62 PolarHBondContact NE1-ND2 3.2Å; W58-N62 PolarHBondContact O-N 3.27Å
59Y93.6Very high84.5Confident126 Ų126101.2 Ų101.249%0.49451%0.514SS..Hα-helixtrans-65.2-40.3175.6-172.5-97.8000111.7F55 E56 N62 A63F55-Y59 WeakPolarHBondContact O-CB 3.2Å; F55-Y59 PolarHBondContact O-N 2.96Å; E56-Y59 PolarHBondContact O-N 2.95Å; Y59-N62 PolarHBondContact O-N 3.4Å; Y59-A63 VanDerWaalsContact O-CB 3.23Å; Y59-A63 WeakPolarHBondContact O-CB 3.45Å; Y59-A63 PolarHBondContact O-N 3.24Å
60F87.7Confident82.8Confident107 Ų10798.2 Ų98.247%0.46951%0.512SS..Hα-helixtrans-66.6-40.7175.8-168-92.4000112.1M1 E56 L57 A63 Q64M1-F60 HydrophobicContact CE-CD2 4.24Å; M1-F60 HydrophobicContact CE-CE2 4.07Å; E56-F60 VanDerWaalsContact O-CB 3.3Å; E56-F60 WeakPolarHBondContact O-CB 3.2Å; E56-F60 PolarHBondContact O-N 3.43Å; L57-F60 PolarHBondContact O-N 3.3Å; F60-A63 PolarHBondContact O-N 2.97Å; F60-Q64 HydrophobicContact CE1-CG 4.38Å; F60-Q64 VanDerWaalsContact O-CG 3.29Å; F60-Q64 WeakPolarHBondContact O-CG 3.24Å; F60-Q64 PolarHBondContact O-N 3.01Å
61A89.1Confident80.8Confident51 Ų51100.5 Ų100.542%0.42152%0.521SS..Hα-helixtrans-62-45.1174.500000112L57 W58 Q64 T65L57-A61 WeakPolarHBondContact O-CB 3.37Å; L57-A61 PolarHBondContact O-N 3.23Å; W58-A61 PolarHBondContact O-N 3.42Å; A61-Q64 WeakPolarHBondContact O-CB 3.38Å; A61-Q64 PolarHBondContact O-N 3.46Å; A61-T65 PolarHBondContact O-N 3.33Å
62N88.4Confident78.8Confident60 Ų60100.9 Ų100.932%0.32153%0.525SS..Hα-helixtrans-73.8-29.8178.1-74.2-20.2000113.6W58 Y59 Q64 T65 C66W58-N62 WeakPolarHBondContact CZ2-ND2 3.48Å; W58-N62 PolarHBondContact NE1-ND2 3.2Å; W58-N62 PolarHBondContact O-N 3.27Å; Y59-N62 PolarHBondContact O-N 3.4Å; N62-Q64 PolarHBondContact O-N 3.39Å; N62-T65 WeakPolarHBondContact CA-OG1 3.35Å; N62-T65 PolarHBondContact O-N 3.02Å; N62-T65 PolarHBondContact O-OG1 2.93Å; N62-C66 PolarHBondContact O-N 3.2Å; N62-C66 PolarHBondContact O-SG 3.45Å; N62-C66 VanDerWaalsContact O-SG 3.38Å
63A85.4Confident77.1Confident36 Ų36105.8 Ų105.830%0.29854%0.539SS..Hα-helixtrans-65.3-30.117400000112.3Y59 F60Y59-A63 VanDerWaalsContact O-CB 3.23Å; Y59-A63 WeakPolarHBondContact O-CB 3.45Å; Y59-A63 PolarHBondContact O-N 3.24Å; F60-A63 PolarHBondContact O-N 2.97Å
64Q75.7Confident75.2Confident111 Ų111103.2 Ų103.252%0.51955%0.545SS..Hα-helixtrans-68.5-46172.3-65-92.3-11.700111F60 A61 N62 N67 L68F60-Q64 HydrophobicContact CE1-CG 4.38Å; F60-Q64 VanDerWaalsContact O-CG 3.29Å; F60-Q64 WeakPolarHBondContact O-CG 3.24Å; F60-Q64 PolarHBondContact O-N 3.01Å; A61-Q64 WeakPolarHBondContact O-CB 3.38Å; A61-Q64 PolarHBondContact O-N 3.46Å; N62-Q64 PolarHBondContact O-N 3.39Å; Q64-N67 PolarHBondContact O-N 2.93Å; Q64-L68 WeakPolarHBondContact O-CD1 3.2Å
65T74.1Confident73.1Confident77 Ų77103.1 Ų103.147%0.47254%0.542SS..Hα-helixtrans-68.7-39.1-177.757.30000112.8A61 N62 N67 L68 S69A61-T65 PolarHBondContact O-N 3.33Å; N62-T65 WeakPolarHBondContact CA-OG1 3.35Å; N62-T65 PolarHBondContact O-N 3.02Å; N62-T65 PolarHBondContact O-OG1 2.93Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 PolarHBondContact O-N 3.36Å; T65-L68 PolarHBondContact O-N 2.84Å; T65-L68 VanDerWaalsContact O-N 3.14Å; T65-S69 PolarHBondContact O-N 3.02Å; T65-S69 PolarHBondContact O-OG 3.22Å
66C62.6Low71.8Confident91 Ų91102.8 Ų102.862%0.61555%0.546SS*.Hα-helixtrans-64.6-27.4178.6-68.50000114.4N62N62-C66 PolarHBondContact O-N 3.2Å; N62-C66 PolarHBondContact O-SG 3.45Å; N62-C66 VanDerWaalsContact O-SG 3.38Å
67N60.1Low70.7Confident122 Ų122102.2 Ų102.265%0.65255%0.552SS**Hα-helixtrans-77.5-25.5174.7-98-21.8000113Q64 T65 S70Q64-N67 PolarHBondContact O-N 2.93Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 PolarHBondContact O-N 3.36Å; N67-S70 PolarHBondContact O-OG 3.16Å; N67-S70 VanDerWaalsContact O-OG 3.1Å
68L57.6Low69.8Low89 Ų89103.1 Ų103.147%0.46656%0.557SS.*Hα-helixtrans-72.9-37.6173.9-93.769.7000111.7Q64 T65 S70 L71 Q72 F80Q64-L68 WeakPolarHBondContact O-CD1 3.2Å; T65-L68 PolarHBondContact O-N 2.84Å; T65-L68 VanDerWaalsContact O-N 3.14Å; L68-S70 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 2.96Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L68-Q72 PolarHBondContact O-N 3.04Å; L68-F80 HydrophobicContact CD2-CE1 4.34Å; L68-F80 HydrophobicContact CD2-CZ 3.73Å; L68-F80 HydrophobicContact CG-CZ 4.08Å
69S59.2Low68.5Low73 Ų73101.2 Ų101.251%0.5156%0.556SS.*Hα-helixtrans-66-18.3-178-56.50000114.7T65T65-S69 PolarHBondContact O-N 3.02Å; T65-S69 PolarHBondContact O-OG 3.22Å
70S57.9Low67.1Low84 Ų84100.2 Ų100.259%0.58755%0.554SS**Hα-helixtrans-82.2-26.4173.265.10000113.1N67 L68N67-S70 PolarHBondContact O-OG 3.16Å; N67-S70 VanDerWaalsContact O-OG 3.1Å; L68-S70 PolarHBondContact O-N 3.22Å
71L52.8Low66.2Low110 Ų110100.1 Ų100.158%0.57656%0.559SS**Hα-helixtrans-81.9-20.3175.1-118.473.6000113.1L68 K73L68-L71 PolarHBondContact O-N 2.96Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L71-K73 PolarHBondContact O-N 3.4Å
72Q51.8Low65.3Low165 Ų165100.6 Ų100.677%0.77156%0.562SS**THydrogen-bonded Turntrans-74.19.5-171-145.3-174.3-10.600115.3L68L68-Q72 PolarHBondContact O-N 3.04Å
73K59.4Low64.5Low195 Ų195102.4 Ų102.485%0.84858%0.576SS**THydrogen-bonded Turntrans-107.42.1-176.3-76.7-169.9175.6-175.80115.8L71L71-K73 PolarHBondContact O-N 3.4Å
74S54Low63.7Low104 Ų104108.6 Ų108.673%0.72759%0.591SS**SBendtrans-1452.4-17360.90000118.1
75T51.8Low63.4Low78 Ų78106.7 Ų106.748%0.47959%0.59SS.*SBendtrans-137.5138.8-174.355.20000113.8
76N67.3Low63Low119 Ų119109.1 Ų109.164%0.63660%0.595SS**  trans-52.6144.1177.7-76.7-36.2000112.8D78 M79N76-D78 PolarHBondContact O-N 3Å; N76-D78 VanDerWaalsContact O-N 3.14Å; N76-M79 PolarHBondContact O-N 3.11Å; N76-M79 VanDerWaalsContact O-N 3.14Å
77P67.9Low63.1Low95 Ų95107 Ų10762%0.61759%0.588SS**Hα-helixtrans-58.6-28.4179.224.1-33.8000113.1M79 F80 N81P77-M79 VanDerWaalsContact C-N 3.33Å; P77-M79 PolarHBondContact O-N 3.17Å; P77-F80 WeakPolarHBondContact O-CB 3.34Å; P77-F80 PolarHBondContact O-N 2.99Å; P77-F80 VanDerWaalsContact O-N 3.09Å; P77-N81 PolarHBondContact O-N 3.14Å
78D73.5Confident63Low119 Ų119108.9 Ų108.964%0.63659%0.587SS**Hα-helixtrans-65-33.3179.3-56.6-43.7000113.2N76 F80 N81 A82N76-D78 PolarHBondContact O-N 3Å; N76-D78 VanDerWaalsContact O-N 3.14Å; D78-F80 VanDerWaalsContact C-N 3.26Å; D78-F80 PolarHBondContact O-N 2.92Å; D78-N81 PolarHBondContact O-N 3.16Å; D78-A82 WeakPolarHBondContact O-CB 3.45Å; D78-A82 PolarHBondContact O-N 3.12Å
79M69.6Low62.9Low113 Ų113113.1 Ų113.156%0.55760%0.597SS**Hα-helixtrans-66.1-31.2174.1-78.9-162.973.400112N76 P77 A82 V83N76-M79 PolarHBondContact O-N 3.11Å; N76-M79 VanDerWaalsContact O-N 3.14Å; P77-M79 VanDerWaalsContact C-N 3.33Å; P77-M79 PolarHBondContact O-N 3.17Å; M79-A82 PolarHBondContact O-N 3.44Å; M79-V83 WeakPolarHBondContact O-CB 3.32Å; M79-V83 VanDerWaalsContact O-CG2 3.31Å; M79-V83 WeakPolarHBondContact O-CG2 3.45Å; M79-V83 PolarHBondContact O-N 2.88Å
80F62.4Low63.1Low106 Ų106115 Ų11547%0.46560%0.596SS.*Hα-helixtrans-69.6-43.8179.9-146.2-89.9000110.9L68 P77 D78 W84L68-F80 HydrophobicContact CD2-CE1 4.34Å; L68-F80 HydrophobicContact CD2-CZ 3.73Å; L68-F80 HydrophobicContact CG-CZ 4.08Å; P77-F80 WeakPolarHBondContact O-CB 3.34Å; P77-F80 PolarHBondContact O-N 2.99Å; P77-F80 VanDerWaalsContact O-N 3.09Å; D78-F80 VanDerWaalsContact C-N 3.26Å; D78-F80 PolarHBondContact O-N 2.92Å; F80-W84 VanDerWaalsContact O-CB 3.3Å; F80-W84 WeakPolarHBondContact O-CB 3.28Å; F80-W84 PolarHBondContact O-N 2.96Å
81N70.2Confident62.9Low105 Ų105115.9 Ų115.956%0.56159%0.594SS**Hα-helixtrans-64.9-38.1172.3-85.8-29.4000112.5P77 D78 S85P77-N81 PolarHBondContact O-N 3.14Å; D78-N81 PolarHBondContact O-N 3.16Å; N81-S85 WeakPolarHBondContact O-CB 3.3Å; N81-S85 PolarHBondContact O-N 3.04Å; N81-S85 PolarHBondContact O-OG 2.99Å
82A70.4Confident63.4Low60 Ų60118 Ų11850%0.49660%0.599SS.*Hα-helixtrans-63.8-48.9176.100000112.3D78 M79 S85 F86D78-A82 WeakPolarHBondContact O-CB 3.45Å; D78-A82 PolarHBondContact O-N 3.12Å; M79-A82 PolarHBondContact O-N 3.44Å; A82-S85 PolarHBondContact O-N 3.22Å; A82-F86 WeakPolarHBondContact O-CB 3.24Å; A82-F86 PolarHBondContact O-N 3.02Å
83V71.5Confident63.7Low99 Ų99114.3 Ų114.360%0.658%0.581SS**Hα-helixtrans-65.6-41.7179.4171.80000111.6M79 F86 G87M79-V83 WeakPolarHBondContact O-CB 3.32Å; M79-V83 VanDerWaalsContact O-CG2 3.31Å; M79-V83 WeakPolarHBondContact O-CG2 3.45Å; M79-V83 PolarHBondContact O-N 2.88Å; V83-F86 PolarHBondContact O-N 3.25Å; V83-G87 PolarHBondContact O-N 2.84Å
84W67.5Low63.6Low165 Ų165110 Ų11063%0.62557%0.566SS**Hα-helixtrans-67.4-40.3178.2-157.259.5000111.9F80 G87 Y88F80-W84 VanDerWaalsContact O-CB 3.3Å; F80-W84 WeakPolarHBondContact O-CB 3.28Å; F80-W84 PolarHBondContact O-N 2.96Å; W84-G87 PolarHBondContact O-N 2.81Å; W84-Y88 HydrophobicContact CZ2-CE2 4.06Å; W84-Y88 PolarHBondContact O-N 3.06Å
85S70.7Confident63.9Low71 Ų71111.2 Ų111.250%0.49756%0.559SS.*Hα-helixtrans-64.3-38.7173.2-61.70000112.6N81 A82 Y88 R89N81-S85 WeakPolarHBondContact O-CB 3.3Å; N81-S85 PolarHBondContact O-N 3.04Å; N81-S85 PolarHBondContact O-OG 2.99Å; A82-S85 PolarHBondContact O-N 3.22Å; S85-Y88 PolarHBondContact O-N 3.39Å; S85-R89 VanDerWaalsContact O-CB 3.28Å; S85-R89 WeakPolarHBondContact O-CB 3.43Å; S85-R89 PolarHBondContact O-N 3.23Å
86F64.6Low64.4Low129 Ų129111.5 Ų111.557%0.56656%0.556SS**Hα-helixtrans-68.2-40.1177.7-158.7-103.3000111.9A82 V83 R89 K90A82-F86 WeakPolarHBondContact O-CB 3.24Å; A82-F86 PolarHBondContact O-N 3.02Å; V83-F86 PolarHBondContact O-N 3.25Å; F86-R89 PolarHBondContact O-N 3.23Å; F86-K90 HydrophobicContact CD1-CD 4.48Å; F86-K90 HydrophobicContact CE1-CD 4.01Å; F86-K90 HydrophobicContact CE1-CG 4.45Å; F86-K90 PolarHBondContact O-N 2.69Å
87G64.8Low64Low46 Ų46110.4 Ų110.447%0.47455%0.55SS.*Hα-helixtrans-62.3-42.8173.200000113V83 W84 N91V83-G87 PolarHBondContact O-N 2.84Å; W84-G87 PolarHBondContact O-N 2.81Å; G87-N91 PolarHBondContact O-N 3.15Å
88Y57.4Low63.5Low162 Ų162112 Ų11264%0.63555%0.549SS*.Hα-helixtrans-69.9-37.3174.9-105.2-86.9000113.1W84 S85 K92W84-Y88 HydrophobicContact CZ2-CE2 4.06Å; W84-Y88 PolarHBondContact O-N 3.06Å; S85-Y88 PolarHBondContact O-N 3.39Å; Y88-K92 PolarHBondContact O-N 3.28Å
89R56.3Low62.8Low177 Ų177112 Ų11267%0.66855%0.549SS*.Hα-helixtrans-67-46.2179.5-169177.8-80.5-149.7-0111.6S85 F86 N91 K92 E93S85-R89 VanDerWaalsContact O-CB 3.28Å; S85-R89 WeakPolarHBondContact O-CB 3.43Å; S85-R89 PolarHBondContact O-N 3.23Å; F86-R89 PolarHBondContact O-N 3.23Å; R89-N91 VanDerWaalsContact C-N 3.35Å; R89-N91 PolarHBondContact O-N 2.95Å; R89-K92 WeakPolarHBondContact O-CB 3.31Å; R89-K92 PolarHBondContact O-N 3.31Å; R89-E93 PolarHBondContact O-N 2.98Å
90K63Low62.4Low113 Ų113112.7 Ų112.749%0.49155%0.549SS..Hα-helixtrans-63.1-35.8177.1-76.8-158.5168.6-171.10113.8F86 K92 E93 I94F86-K90 HydrophobicContact CD1-CD 4.48Å; F86-K90 HydrophobicContact CE1-CD 4.01Å; F86-K90 HydrophobicContact CE1-CG 4.45Å; F86-K90 PolarHBondContact O-N 2.69Å; K90-K92 PolarHBondContact O-N 2.97Å; K90-E93 PolarHBondContact O-N 3.38Å; K90-I94 WeakPolarHBondContact O-CG1 3.45Å; K90-I94 PolarHBondContact O-N 3.28Å
91N53.3Low62.2Low103 Ų103114 Ų11455%0.55156%0.56SS**Hα-helixtrans-72.6-16.6176.5-154.74.9000112.9G87 R89G87-N91 PolarHBondContact O-N 3.15Å; R89-N91 VanDerWaalsContact C-N 3.35Å; R89-N91 PolarHBondContact O-N 2.95Å
92K64.7Low61.7Low154 Ų154115 Ų11567%0.6757%0.565SS**Hα-helixtrans-85.2-40.3171.3-142.1175.6-174.3-177.40111.4Y88 R89 K90 K95 I96Y88-K92 PolarHBondContact O-N 3.28Å; R89-K92 WeakPolarHBondContact O-CB 3.31Å; R89-K92 PolarHBondContact O-N 3.31Å; K90-K92 PolarHBondContact O-N 2.97Å; K92-K95 PolarHBondContact O-N 3.34Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 3.45Å; K92-I96 VanDerWaalsContact O-N 3.17Å
93E57.1Low61.1Low88 Ų88117.8 Ų117.841%0.41157%0.571SS.*Hα-helixtrans-65.3-39.8176.8-74.3167.4179.100113.1R89 K90 K95 I96 N97R89-E93 PolarHBondContact O-N 2.98Å; K90-E93 PolarHBondContact O-N 3.38Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.25Å; E93-I96 PolarHBondContact O-N 3.13Å; E93-N97 PolarHBondContact O-N 2.9Å
94I57.6Low60.5Low103 Ų103118.8 Ų118.853%0.52857%0.573SS.*Hα-helixtrans-58.1-42.4176.2-69.9164.4000111.1K90 N97 E98K90-I94 WeakPolarHBondContact O-CG1 3.45Å; K90-I94 PolarHBondContact O-N 3.28Å; I94-N97 PolarHBondContact O-N 3.19Å; I94-E98 PolarHBondContact O-N 3.19Å
95K59.9Low60Low131 Ų131115 Ų11557%0.5758%0.577SS**Hα-helixtrans-71-31.9177.8-69.4-176.8176.9-176.90113.7K92 E93 L99K92-K95 PolarHBondContact O-N 3.34Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.25Å; K95-L99 WeakPolarHBondContact O-CG 3.18Å; K95-L99 PolarHBondContact O-N 3.14Å; K95-L99 VanDerWaalsContact O-N 3.16Å
96I63.5Low59.3Low83 Ų83118 Ų11843%0.42659%0.588SS.*Hα-helixtrans-72.1-35.7176.4-68.7165.4000110.6K92 E93 L99 K100K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 3.45Å; K92-I96 VanDerWaalsContact O-N 3.17Å; E93-I96 PolarHBondContact O-N 3.13Å; I96-L99 PolarHBondContact O-N 3.3Å; I96-K100 WeakPolarHBondContact O-CG 3.42Å; I96-K100 PolarHBondContact O-N 3.27Å; I96-K100 VanDerWaalsContact O-N 3.07Å
97N58.2Low58.9Low96 Ų96116.6 Ų116.651%0.51359%0.594SS.*Hα-helixtrans-76.2-33.4176.9-68.5-14.7000112.7E93 I94 L101E93-N97 PolarHBondContact O-N 2.9Å; I94-N97 PolarHBondContact O-N 3.19Å; N97-L101 PolarHBondContact O-N 2.94Å
98E58Low58.3Low128 Ų128121.2 Ų121.260%0.59861%0.608SS**Hα-helixtrans-60.9-43.4167.6-95.3-174.4139.500111.9I94 L101 L102I94-E98 PolarHBondContact O-N 3.19Å; E98-L101 PolarHBondContact O-N 3.04Å; E98-L102 VanDerWaalsContact O-CD1 3.29Å; E98-L102 WeakPolarHBondContact O-CD1 3.44Å
99L58.7Low58.2Low119 Ų119121.3 Ų121.362%0.62361%0.611SS**Hα-helixtrans-66.3-42.5178.8-80.5163.2000112.7K95 I96 L101 L102 D103K95-L99 WeakPolarHBondContact O-CG 3.18Å; K95-L99 PolarHBondContact O-N 3.14Å; K95-L99 VanDerWaalsContact O-N 3.16Å; I96-L99 PolarHBondContact O-N 3.3Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 2.97Å; L99-L102 PolarHBondContact O-N 2.97Å; L99-D103 PolarHBondContact O-N 2.92Å
100K60.6Low57.8Low129 Ų129122.1 Ų122.156%0.56162%0.62SS**Hα-helixtrans-64-34.3177.6-76.1-177174.5-174.80113.6I96 L102 D103 D104I96-K100 WeakPolarHBondContact O-CG 3.42Å; I96-K100 PolarHBondContact O-N 3.27Å; I96-K100 VanDerWaalsContact O-N 3.07Å; K100-L102 PolarHBondContact O-N 3.07Å; K100-D103 PolarHBondContact O-N 3.3Å; K100-D104 PolarHBondContact O-N 3.1Å
101L58.9Low56.9Low132 Ų132127.6 Ų127.669%0.69164%0.637SS**Hα-helixtrans-67.7-19.8176.5-86163.7000113.8N97 E98 L99N97-L101 PolarHBondContact O-N 2.94Å; E98-L101 PolarHBondContact O-N 3.04Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 2.97Å
102L59Low56.7Low127 Ų127133.7 Ų133.767%0.66565%0.653SS**Hα-helixtrans-83.9-32.4172.3-88.496.5000113.4E98 L99 K100E98-L102 VanDerWaalsContact O-CD1 3.29Å; E98-L102 WeakPolarHBondContact O-CD1 3.44Å; L99-L102 PolarHBondContact O-N 2.97Å; K100-L102 PolarHBondContact O-N 3.07Å
103D58.2Low55.7Low118 Ų118135.1 Ų135.163%0.63166%0.662SS**Hα-helixtrans-72.8-41.1179.1-74.1-31.1000112L99 K100 A105 N106L99-D103 PolarHBondContact O-N 2.92Å; K100-D103 PolarHBondContact O-N 3.3Å; D103-A105 VanDerWaalsContact C-N 3.26Å; D103-A105 PolarHBondContact O-N 3.1Å; D103-N106 PolarHBondContact O-N 3.28Å; D103-N106 VanDerWaalsContact O-N 3.17Å
104D58.2Low55.2Low121 Ų121136.6 Ų136.665%0.64768%0.679SS**Hα-helixtrans-66.3-27.7178.2-75-27.9000112.9K100 N106 S107K100-D104 PolarHBondContact O-N 3.1Å; D104-N106 PolarHBondContact O-N 3.12Å; D104-S107 PolarHBondContact O-OG 2.97Å
105A58.4Low55Low86 Ų86140.6 Ų140.671%0.71169%0.692SS**THydrogen-bonded Turntrans-70.7-15.8176.700000113.8D103D103-A105 VanDerWaalsContact C-N 3.26Å; D103-A105 PolarHBondContact O-N 3.1Å
106N56.1Low54.4Low134 Ų134142.9 Ų142.972%0.71771%0.705SS**THydrogen-bonded Turntrans-104.4-7.3-172.1-151.414000114D103 D104D103-N106 PolarHBondContact O-N 3.28Å; D103-N106 VanDerWaalsContact O-N 3.17Å; D104-N106 PolarHBondContact O-N 3.12Å
107S54.9Low53.9Low98 Ų98147 Ų14769%0.68573%0.728SS**SBendtrans-87.2-14.7-173.969.50000115.3D104 K109D104-S107 PolarHBondContact O-OG 2.97Å; S107-K109 PolarHBondContact O-N 2.93Å
108N52.7Low53.3Low144 Ų144153.2 Ų153.277%0.7774%0.744SS**  trans-101.946.3-167.9-156.11.4000115
109K54.4Low52.8Low164 Ų164151.9 Ų151.971%0.71375%0.749SS**  trans-116.181.5170.6-77.1-175.5179.3173.90111.9S107 W111S107-K109 PolarHBondContact O-N 2.93Å; K109-W111 VanDerWaalsContact O-CD1 3.28Å; K109-W111 PolarHBondContact O-N 3.23Å
110K48.3Very low52.6Low194 Ų194154.9 Ų154.984%0.84376%0.76SS**  trans-71.881.8177.2-172.5173.7-175.1169.10111.9R112K110-R112 PolarHBondContact O-N 3.33Å
111W44.8Very low52Low228 Ų228157.5 Ų157.586%0.86477%0.774SS**PPolyproline II helixtrans-71.5120.5176.6-74.496.5000112.3K109K109-W111 VanDerWaalsContact O-CD1 3.28Å; K109-W111 PolarHBondContact O-N 3.23Å
112R47.9Very low51.4Low230 Ų230157.4 Ų157.487%0.86878%0.779SS**PPolyproline II helixtrans-83.1131167.1-71.5-178.2178-1196.5109.6K110K110-R112 PolarHBondContact O-N 3.33Å
113Q44.1Very low50.7Low185 Ų185156.4 Ų156.486%0.86478%0.783SS**PPolyproline II helixtrans-75.9146.4170.2-72.9-83.6-28.500111.4
114P47.5Very low50.4Low118 Ų118157.2 Ų157.277%0.76679%0.792SS**  trans-135125.5135.633.5-19.7000114.9
115K52.3Low49.6Very low187 Ų187156 Ų15681%0.81379%0.793SS**  trans6.7123.7150.8-61.1177.4177.8-179.90120.5
116Q48.7Very low49Very low179 Ų179156.8 Ų156.884%0.83679%0.793SS**  trans42.2121.6130.9-66.2-178.4-41.500120.1
117N51.6Low48.7Very low170 Ų170157.3 Ų157.391%0.90979%0.794SS**  -153.2172.8102.1-116.4-28.1000114.2
118R45.6Very low48.1Very low227 Ų227159.4 Ų159.486%0.85780%0.797SS**  trans-122.4135.6-149.8178.3-168.6-166-176.24.9111.9
119S48.3Very low47.5Very low100 Ų100157.8 Ų157.870%0.69979%0.793SS**  159.6158125.956.40000114.5
120Q55Low46.7Very low181 Ų181155.6 Ų155.685%0.84680%0.796SS**  trans69.5101.4169.6-44-151.936.300115.6
121Q46.3Very low46.4Very low185 Ų185155.1 Ų155.186%0.86480%0.797SS**  cis89.977.725.6-158.7-174.31600116
122T48.3Very low46.1Very low130 Ų130147.7 Ų147.780%0.79879%0.785SS**  trans-162.8111.414446.30000107.2
123S43.7Very low45.8Very low106 Ų106144 Ų14474%0.74178%0.782SS**  81.270.152.478.90000116.4
124V51.2Low45.7Very low134 Ų134144.7 Ų144.781%0.81278%0.782SS**  trans-154.587.3140.6-150.70000106.8
125S42.4Very low45.3Very low97 Ų97148.9 Ų148.968%0.67879%0.789SS**  46.6107.789.5750000115.8
126S45.7Very low44.6Very low101 Ų101147.6 Ų147.671%0.70679%0.79SS**  136.4141.1118.1-68.10000116.5
127I48.5Very low44.1Very low146 Ų146146.3 Ų146.375%0.74979%0.788SS**  trans8790.5153.2-64.1148.3000118
128L42.4Very low43.5Very low141 Ų141146.8 Ų146.874%0.73879%0.79SS**  61.2104.3118-64.6157000117.9
129T40.9Very low43.7Very low111 Ų111142.1 Ų142.168%0.68179%0.786SS**  77.1133.477.359.40000116
130C37.3Very low44.1Very low117 Ų117142.2 Ų142.279%0.79178%0.784SS**  trans67.6154167.4-57.40000115
131E42.8Very low43.5Very low185 Ų185141.2 Ų141.286%0.86479%0.785SS**  cis-148.1159.87.4-146.9169.4142.900111.3
132A37.6Very low43.4Very low72 Ų72140.5 Ų140.560%0.59578%0.779SS**  trans-87.8170.5173.600000111.9
133N42.6Very low43.3Very low152 Ų152139.2 Ų139.281%0.81378%0.775SS**  trans64.494.9159.6-57-35.2000118.4
134K41.8Very low43.7Very low199 Ų199140.5 Ų140.587%0.86577%0.772SS**  176.1120.3128.5-97.3152.2-175.5170.90110.4
135F39.3Very low43.4Very low207 Ų207139.6 Ų139.691%0.90877%0.771SS**  trans-176.965.3136.6-105.5-68.7000110
136L37Very low43.6Very low159 Ų159143.1 Ų143.183%0.83278%0.776SS**  trans-85.3160.6150.8-87.8166.6000108.3
137L38.2Very low43.5Very low153 Ų153147.6 Ų147.680%0.80178%0.783SS**  trans76.187.6174.1-47.7177000116.1
138L39.6Very low43.5Very low180 Ų180150.2 Ų150.294%0.94279%0.79SS**  trans-154.190.1134.7-135.182.4000109.9
139V48.7Very low43.9Very low128 Ų128151.9 Ų151.978%0.77680%0.796SS**  trans-126.8117.8167.6179.50000107.3N141V139-N141 PolarHBondContact O-N 2.79Å
140P56.3Low44.3Very low103 Ų103150.6 Ų150.667%0.66980%0.797SS**  trans-74.8117.7178.629.1-32.4000110.3F142P140-F142 VanDerWaalsContact C-N 3.33Å; P140-F142 HydrophobicContact CB-CD2 4.45Å; P140-F142 PolarHBondContact O-N 3.39Å
141N42.7Very low44.7Very low159 Ų159154.3 Ų154.385%0.8580%0.802SS**  trans-69.587.3169.7-77.6-35.9000110.1V139 S143V139-N141 PolarHBondContact O-N 2.79Å; N141-S143 PolarHBondContact O-N 3.44Å
142F45Very low45Very low171 Ų171157.3 Ų157.375%0.7581%0.806SS**  trans-81.794.6170.5-111.1-88.2000110.4P140 I144P140-F142 VanDerWaalsContact C-N 3.33Å; P140-F142 HydrophobicContact CB-CD2 4.45Å; P140-F142 PolarHBondContact O-N 3.39Å; F142-I144 HydrophobicContact CB-CD1 4.25Å; F142-I144 HydrophobicContact CB-CG1 4.34Å; F142-I144 HydrophobicContact CD1-CD1 4.36Å; F142-I144 HydrophobicContact CD1-CG1 4.19Å; F142-I144 PolarHBondContact O-N 3.14Å
143S45.5Very low45.5Very low102 Ų102158.3 Ų158.371%0.71381%0.814SS**  trans-67.4108.6166.1-175.60000109.4N141N141-S143 PolarHBondContact O-N 3.44Å
144I51.6Low45.9Very low134 Ų134159.5 Ų159.569%0.68782%0.815SS**  trans-107.12.4-179-71.7172.3000111.4F142F142-I144 HydrophobicContact CB-CD1 4.25Å; F142-I144 HydrophobicContact CB-CG1 4.34Å; F142-I144 HydrophobicContact CD1-CD1 4.36Å; F142-I144 HydrophobicContact CD1-CG1 4.19Å; F142-I144 PolarHBondContact O-N 3.14Å
145C44.8Very low46.6Very low115 Ų115160 Ų16078%0.77782%0.817SS**SBendtrans-85.2-12.2-167.7-70.60000116.7
146E48.4Very low46.9Very low170 Ų170160.1 Ų160.179%0.79482%0.817SS**SBendtrans-104.5-18-174.1-63.9-149.2133.100115.7F148E146-F148 PolarHBondContact O-N 2.87Å
147F43.3Very low47.5Very low195 Ų195157 Ų15786%0.85581%0.814SS**THydrogen-bonded Turntrans-83.9-3.5-169.1-148.8-98.3000115.6
148F48Very low48Very low201 Ų201158.2 Ų158.288%0.88281%0.813SS**THydrogen-bonded Turntrans-113.93.9-173.3-129.8-92000115.5E146E146-F148 PolarHBondContact O-N 2.87Å
149M51.3Low48.7Very low176 Ų176156.7 Ų156.787%0.86780%0.799SS**SBendtrans-99-13.3179.2-74-75.9-152.400114
150A47.6Very low48.7Very low84 Ų84160.8 Ų160.869%0.69480%0.801SS**SBendtrans-89.9-20.5-167.100000115.7R152A150-R152 PolarHBondContact O-N 3.23Å
151E47.1Very low48.3Very low196 Ų196163.9 Ų163.992%0.91680%0.804SS**THydrogen-bonded Turntrans-93.827.4-163.7-147.6-176.6162.300115.3
152R48.4Very low48.6Very low248 Ų248166.7 Ų166.794%0.93680%0.802SS**THydrogen-bonded Turntrans-120.615.9-175.9-138.3175.8-169.1162.54.3115.5A150A150-R152 PolarHBondContact O-N 3.23Å
153A47.3Very low48.6Very low93 Ų93163.7 Ų163.777%0.76980%0.802SS**  trans-105.5-0.7-167.900000116.4
154E52.2Low49Very low176 Ų176164.3 Ų164.382%0.82280%0.804SS**  trans-130.6108.8-177-81.3-172.4-172.500115
155K55.9Low48.7Very low210 Ų210162.9 Ų162.991%0.91381%0.806SS**  trans166.883.3138.4-90.3153.8-169.9170.10110.4
156K46.6Very low48.7Very low210 Ų210164.5 Ų164.591%0.91381%0.806SS**  trans-89.5158.7164.3-71.4177.8179.4172.20109.9
157A49.7Very low48.6Very low93 Ų93161.1 Ų161.177%0.76980%0.801SS**  trans76.295.1163.500000119.9
158F48.9Very low48.6Very low179 Ų179156.8 Ų156.879%0.78580%0.795SS**  -159.7101116.9-128.8-112.5000108.7
159K53.3Low48.6Very low147 Ų147152.7 Ų152.764%0.63979%0.791SS**  80104.698.5-91.3-179.8179.31700115.8
160R48Very low48.6Very low215 Ų215148.6 Ų148.681%0.81178%0.78SS**  trans47.2125134.6-53.3176174.7175.8-4117.4
161F48.4Very low48.5Very low167 Ų167149.1 Ų149.173%0.73278%0.779SS**  -164.9149.973.2-129.4-97.1000115
162R48.5Very low48.6Very low219 Ų219146.6 Ų146.683%0.82677%0.772SS**  trans56.3100.8158.9-90.1173.8-176.3163-0.7122.5
163S45.1Very low48.5Very low107 Ų107142.5 Ų142.575%0.74877%0.768SS**  trans-77.3-163.3148.6-3.30000111.7
164P54Low48.9Very low115 Ų115141.7 Ų141.775%0.74777%0.768SS**  cis-139-155.3-41.739.5-20.4000112.5
165S46.2Very low48.7Very low104 Ų104140.4 Ų140.473%0.72777%0.767SS**  trans101.7140.5160.776.60000116.6
166L44.4Very low48.6Very low150 Ų150137 Ų13779%0.78575%0.754SS**  cis-162.4150.9-9.2-115170.1000109.3
167S45.9Very low49.2Very low98 Ų98132.7 Ų132.769%0.68575%0.746SS**  trans39.3151.5145.163.60000122.7
168S43.7Very low49.4Very low105 Ų105133.9 Ų133.973%0.73475%0.746SS**  cis173.8160.5-9.550.50000108.4
169S49Very low49.9Very low114 Ų114135 Ų13580%0.79775%0.75SS**  trans69.1155.6163.3-126.70000117
170S50.6Low50.4Low91 Ų91137.5 Ų137.564%0.63676%0.761SS**  cis-166.5169-35.149.30000109.3
171S45.6Very low50.9Low95 Ų95133.3 Ų133.366%0.66476%0.761SS**  trans61114146.453.80000121.4
172D48.3Very low51.7Low143 Ų143131.1 Ų131.177%0.76577%0.767SS**  88.4127.6123.7-84.4-28.7000125.3
173L47.9Very low52Low162 Ų162125.3 Ų125.385%0.84877%0.766SS**  trans71.5138.4140.3-61.7172.2000122.8
174G53.8Low52.8Low76 Ų76131.7 Ų131.778%0.78477%0.773SS**  trans89.2151.7166.100000115.9
175D49.6Very low53.2Low149 Ų149132.3 Ų132.380%0.79778%0.777SS**  cis-161.5164-19.4-165.321.8000109.6
176E53.7Low53.3Low139 Ų139133.9 Ų133.965%0.6578%0.778SS**  trans10.3121.9158.6-78.4-68.6133.200121.3
177T59.5Low54.1Low119 Ų119138.2 Ų138.273%0.7378%0.784SS**  159.3141.5107.345.40000113.4
178P53.6Low54.2Low118 Ų118140.3 Ų140.377%0.76679%0.787SS**  trans-97.2135.2176.835.2-31.7000113.6
179K58.8Low54.5Low201 Ų201138.7 Ų138.787%0.87479%0.787SS**  trans-128.2103.3170.4-83.9179.9179.5167.40114.2
180K64.8Low54.8Low200 Ų200144.6 Ų144.687%0.8779%0.792SS**  trans48.7126.8135.2-141170-172175.40119.8
181P57.2Low54.9Low127 Ų127148.7 Ų148.783%0.82580%0.798SS**PPolyproline II helixtrans-78.1147.8-179.933-35.6000113.4
182S65.7Low55.4Low122 Ų122153.5 Ų153.585%0.85381%0.807SS**PPolyproline II helixtrans-92.5128.6175.8-179.70000111.7
183A55.1Low55.7Low96 Ų96154.3 Ų154.379%0.79381%0.807SS**PPolyproline II helixtrans-82.3146.1176.500000111.7
184R60.8Low56.5Low241 Ų241156.2 Ų156.291%0.90981%0.808SS**  trans-120.5142.3166.6-86.4-170.6168.9-153.8-2.4111.3
185P63.5Low56.8Low128 Ų128161.8 Ų161.883%0.83181%0.811SS**  trans-84151.7-164.232.9-36.7000114.2
186N48.4Very low57.3Low137 Ų137166.2 Ų166.273%0.73382%0.816SS**  trans-68.9137.1170.7-174.26.6000111
187R60Low57.2Low241 Ų241167.8 Ų167.891%0.90982%0.824SS**  trans-120.979.7179.1-162.4179-168.8179.85111.1
188N48Very low57Low142 Ų142167.1 Ų167.176%0.75983%0.83SS**  trans-71.3148.4166.9-76.5-17.5000111
189G50.1Low57.1Low71 Ų71170.3 Ų170.373%0.73283%0.832SS**  trans123.5100.6157.600000116.3
190R55.9Low56.7Low238 Ų238168.5 Ų168.590%0.89883%0.831SS**  -167109.6127.5-105.4166.5-171-145.5-0.9110.7
191K52.2Low55.9Low178 Ų178162.8 Ų162.877%0.77482%0.821SS**  trans-65.8146.6158-79.8-177.1169.7-170.50108.9
192F57.5Low55.5Low195 Ų195165.3 Ų165.386%0.85582%0.822SS**  trans-147.9111.9149.2-112.6-80.3000109.1
193E54Low54.7Low161 Ų161164.5 Ų164.575%0.75282%0.816SS**  trans-90.1129.7169.1-72.316590.800109.1
194K63.3Low54.5Low201 Ų201166.5 Ų166.587%0.87482%0.819SS**  trans-156.187.3153.1-144.9164.8-174173.80114.3
195K61.7Low53.8Low193 Ų193162.7 Ų162.784%0.83982%0.816SS**  21.6112125.8-171.8176.6-171.7171.90117.2
196R60.5Low53.2Low242 Ų242163.3 Ų163.391%0.91382%0.818SS**  -173.1129.1120.6-106.1173.4169.6179.3-4.9112.6
197E49.8Very low53Low172 Ų172160.9 Ų160.980%0.80482%0.817SS**  trans-83.9153.6163.4-63.4177.4106.300110.4
198A56.5Low52.4Low105 Ų105157.8 Ų157.887%0.86882%0.818SS**  trans-150.3131.2152.200000108.7
199K54.3Low52.4Low185 Ų185155.8 Ų155.880%0.80482%0.821SS**  trans-109.3130.8176-63.6173.2-179.51730109
200L51.8Low52.3Low164 Ų164161.3 Ų161.386%0.85983%0.828SS**  trans-168.5115.3156.1-133.963.9000105.1
201A47.1Very low52.2Low80 Ų80156 Ų15666%0.66183%0.827SS**  cis78.8135.545.900000113.3
202Q49.1Very low51.9Low180 Ų180157.3 Ų157.384%0.84183%0.827SS**  trans72.1120.6-177-59.4165.9-17.200114.5
203S49Very low51.4Low105 Ų105154 Ų15473%0.73482%0.819SS**  cis75.7103.327.287.40000115.8
204T50.3Low51.1Low138 Ų138153.7 Ų153.785%0.84782%0.822SS**  trans-169.7126.6144.330.70000109.2
205D45.8Very low50.3Low160 Ų160149.8 Ų149.886%0.85682%0.82SS**  trans-71.3152.5162.3-57.6-80.4000110.8
206T52.2Low49.8Very low142 Ų142145.7 Ų145.787%0.87182%0.815SS**  trans-157136.5153.7-14.80000110.4
207A43.1Very low49.2Very low86 Ų86141.5 Ų141.571%0.71181%0.806SS**  trans-98.5-176.7-174.800000112.4
208L47.5Very low49.4Very low175 Ų175140.8 Ų140.892%0.91680%0.8SS**  trans71.6113.8163.8-63.3161000117.6
209A48.3Very low49Very low100 Ų100143.4 Ų143.483%0.82680%0.799SS**  -168.6126.3112.700000110.7
210E47.8Very low48.5Very low188 Ų188138.8 Ų138.888%0.87980%0.795SS**  trans-75.1151.7164.3-61171.2108.800110.1
211S53.9Low48.5Very low127 Ų127138.9 Ų138.989%0.88880%0.796SS**  trans-151.2152.4153-168.40000111.1
212R47.3Very low48.4Very low205 Ų205143.6 Ų143.677%0.77480%0.804SS**  trans-138.4148.5-154.8-120.2-178.1166160.1-4.3110.7
213N46.9Very low48.6Very low126 Ų126140.6 Ų140.667%0.67480%0.803SS**  trans79.9158.9145.7-58.4-11.1000122
214N47.1Very low48.5Very low154 Ų154141.1 Ų141.182%0.82481%0.807SS**  trans82.9118.5165.6-54.8-17.1000116.4
215S46.7Very low48.4Very low118 Ų118140.2 Ų140.283%0.82580%0.803SS**  cis92105.223.2-1650000116
216S50Low48.2Very low107 Ų107138.4 Ų138.475%0.74880%0.803SS**  trans-172.4125.7153.245.90000107.7
217E48.1Very low48.3Very low155 Ų155135.1 Ų135.172%0.72480%0.797SS**  63.4138.784.6-99.8-159.2131.300113.5
218K54.4Low48.4Very low156 Ų156137.4 Ų137.468%0.67880%0.803SS**  cis-173.4174.510.4-164.4-173.8-167.3127.20110.4
219L49.3Very low48.7Very low160 Ų160134.2 Ų134.284%0.83879%0.793SS**  trans97.8140.4155-58.5174.6000119.7
220A42.1Very low48.6Very low88 Ų88139.6 Ų139.673%0.72779%0.793SS**  trans-144.3166.2-173.800000110
221L52.9Low48.5Very low166 Ų166134.6 Ų134.687%0.86978%0.784SS**  trans172.8108.7157.5-93.3144.4000106.4
222E44Very low48.2Very low179 Ų179134 Ų13484%0.83678%0.779SS**  66.1109.273.8-80.3-112.8102.200115.7
223S53.3Low48.4Very low117 Ų117129.2 Ų129.282%0.81878%0.777SS**  -179.7139127.6430000113
224S46.5Very low48.3Very low117 Ų117129.5 Ų129.582%0.81878%0.779SS**  trans-128.9-167.8163.4-70.10000105.7
225P49.8Very low48.6Very low119 Ų119128.4 Ų128.477%0.77377%0.773SS**  cis-147-171.96.444.7-24.4000117.1
226S41.6Very low48.7Very low122 Ų122131.2 Ų131.285%0.85377%0.773SS**  trans67.8127.9140.1-163.60000122.4
227G53.5Low48.5Very low72 Ų72132.6 Ų132.674%0.74277%0.772SS**  trans179105.2161.700000114.1
228T45.2Very low48.8Very low134 Ų134130 Ų13082%0.82277%0.771SS**  trans-134.3-176.2168.364.90000107.8
229P54.3Low48.6Very low109 Ų109127.3 Ų127.371%0.70877%0.772SS**  cis-130.2-165.9-13.130.4-7.3000112.4
230Y46.6Very low48.7Very low213 Ų213126.2 Ų126.284%0.83576%0.763SS**  146.7140.8118.1-149.7-108.5000115.9
231A45.6Very low49.3Very low83 Ų83129.6 Ų129.669%0.68676%0.761SS**  trans59159.8161.300000120.8
232S46.7Very low49Very low113 Ų113130.4 Ų130.479%0.7976%0.76SS**  cis-174.7167.6-31.3-166.70000108.5
233S52.6Low49.1Very low105 Ų105126 Ų12673%0.73476%0.755SS**  trans123.3134.2149.1-158.40000117.2
234D45Very low49.3Very low132 Ų132129.6 Ų129.671%0.70676%0.759SS**  trans-77.5163.8-173.3-50.4-99.8000115
235N52.2Low49.2Very low132 Ų132133.4 Ų133.471%0.70676%0.763SS**  179.2137.5105.6-94-57.8000114.4
236Q48.7Very low49.7Very low176 Ų176131.6 Ų131.682%0.82277%0.766SS**  30.7154126.1-69.6-173.3-21.300121.3
237D46.6Very low49.8Very low137 Ų137133.1 Ų133.173%0.73376%0.764SS**  cis-177.2179.3-9.217150.7000108
238S54.5Low49.7Very low100 Ų100134.8 Ų134.870%0.69976%0.76SS**  trans104.4127.9151.3-78.50000120.3
239S48.7Very low49.9Very low100 Ų100134.1 Ų134.170%0.69976%0.756SS**  trans-78.7-168.817347.20000111.7
240E51.9Low49.4Very low137 Ų137135.7 Ų135.764%0.6476%0.759SS**  cis-177.3179.131-150.8-173.1122.800111.8
241K55Low50Low158 Ų158131.6 Ų131.669%0.68776%0.761SS**  trans79.7124.6159.8-65.7165.7-167.4-179.60117.7
242Q47.1Very low50.2Low183 Ų183136.1 Ų136.186%0.85577%0.768SS**  65.613861.5-70-172.9-1700112.7
243A45.6Very low50.6Low87 Ų87135.9 Ų135.972%0.71977%0.766SS**  cis-146.4-177.8-9.400000107.2
244E58.2Low50.6Low193 Ų193137.4 Ų137.490%0.90277%0.766SS**  179178.469.6-87.3-154.7132.800112.2
245H43.8Very low50.7Low197 Ų197137 Ų13791%0.91277%0.768SS**  trans-69.8159.6-178.2-87.3-122.2000116.6
246G60.2Low50.7Low81 Ų81141.8 Ų141.884%0.83578%0.777SS**  trans-170.2112.4160.700000111.6
247N44.1Very low50.7Low153 Ų153138.5 Ų138.582%0.81877%0.773SS**  trans-117.8173.8-173.2-178.626.5000110.9
248V50.9Low51.3Low108 Ų108141 Ų14166%0.65578%0.781SS**  trans111.9135.2148.9-172.40000118.6
249T50.1Low50.9Low120 Ų120140.1 Ų140.174%0.73678%0.779SS**  trans79.5100.2158.9370000123
250D43Very low51.1Low142 Ų142142.4 Ų142.476%0.75979%0.789SS**  7.9140.9119.8-69.4-51.7000121.2
251S58.7Low51.3Low126 Ų126139.8 Ų139.888%0.88180%0.798SS**  -162.4142.5121.2-79.40000111.7
252E50.8Low51Low178 Ų178139.5 Ų139.583%0.83280%0.804SS**  trans-92.6-165.5-172.5-59.4174.887.700113.8
253S55.7Low51.5Low109 Ų109137.5 Ų137.576%0.76280%0.804SS**  trans84.3141.2166.2840000116.9
254D51.3Low51.7Low137 Ų137140.6 Ų140.673%0.73381%0.808SS**  cis-155.1166.3-17.2-136.5-56.1000112.5
255T46.8Very low51.7Low122 Ų122142 Ų14275%0.74881%0.805SS**  trans-18.1146.316347.30000119.8
256R53.8Low52.4Low233 Ų233141.2 Ų141.288%0.87980%0.799SS**  -175.6136.198-170.4162.2177.4167.7-3.2113.2
257S48.5Very low52.1Low108 Ų108146.1 Ų146.176%0.75580%0.801SS**  trans-99.6153.8177.4370000112.3
258E58.1Low52.6Low189 Ų189150.4 Ų150.488%0.88381%0.805SS**  trans-147159.9156.6-127.7177.3-160.300110.7
259A46.9Very low52.8Low81 Ų81153.5 Ų153.567%0.66981%0.81SS**  trans-138.8-175-15100000114.5
260V52.5Low52.8Low149 Ų149153.3 Ų153.390%0.90381%0.808SS**  trans66.3129.3161.5-69.90000120.4
261G55.1Low53.2Low81 Ų81155.6 Ų155.684%0.83581%0.814SS**  trans-175.755176.400000112.4
262L50.3Low52.4Low153 Ų153154.4 Ų154.480%0.80181%0.812SS**  trans-73.7144.5176.3-73.2161.5000111.5
263T57.2Low52.2Low140 Ų140150.9 Ų150.986%0.85981%0.813SS**  -173.6140.1121.920.70000114.1
264N50.5Low51.8Low152 Ų152150 Ų15081%0.81381%0.812SS**  trans-54.5168.7179.2-52.1-39.5000115.2
265R56.9Low51.7Low222 Ų222148.2 Ų148.284%0.83882%0.817SS**  172.7137102.1-171.5169.1-162.1-1756116.1
266K59.1Low51.8Low182 Ų182147.1 Ų147.179%0.79181%0.814SS**  trans89.1109.1152.7-97.6173.9178.7-178.50121.2
267E52.8Low51.7Low184 Ų184141.7 Ų141.786%0.8681%0.812SS**  trans-85161.1162-48.6144.711400112.2
268R56.3Low51.5Low242 Ų242142.1 Ų142.191%0.91382%0.815SS**  trans171.5150.6146.2-101178.3164.2-156.9-4.5108.7
269K54.6Low51.3Low174 Ų174137 Ų13776%0.75781%0.805SS**  cis-167.2120.1-27.4168.5174.2178177.90107.9
270V49.8Very low51.5Low115 Ų115142.6 Ų142.670%0.69782%0.817SS**  trans28.5119.7142.1-168.20000119.4
271Q51.2Low51.2Low191 Ų191140.3 Ų140.389%0.89381%0.808SS**  -165.3154.4118.4-107.6157.6103.900113.1
272A41.2Very low50.8Low101 Ų101143.6 Ų143.684%0.83581%0.806SS**  trans-144.1143.5-171.400000111.2
273A47.9Very low50.9Low103 Ų103145.2 Ų145.285%0.85181%0.81SS**  trans-174.8153158.900000107
274A46.7Very low50.6Low90 Ų90143.9 Ų143.974%0.74480%0.804SS**  cis156.7134.5-23.600000105.1
275A48.8Very low50.6Low100 Ų100140.9 Ų140.983%0.82679%0.794SS**  trans63.3158169.700000116.8
276S50Low50.2Low99 Ų99138.3 Ų138.369%0.69280%0.798SS**  cis-172.4166.7-25.953.20000108.8
277S51Low49.8Very low120 Ų120135.7 Ų135.784%0.83979%0.792SS**  trans72.4157.7173.380.20000116.5
278S45.3Very low50.2Low116 Ų116134 Ų13481%0.81179%0.788SS**  cis167.8161.9-28.1-170.80000106.3
279A53.2Low50.2Low83 Ų83130 Ų13069%0.68678%0.78SS**  trans70.2113.6-172.900000113
280E50.7Low50.1Low197 Ų197129.3 Ų129.392%0.92178%0.779SS**  90.4150.456.3-78.9-165124.300113.5
281S47.1Very low50.3Low101 Ų101132.1 Ų132.171%0.70679%0.785SS**  trans85.3110.4174.1-92.40000120.6
282D46.2Very low50.5Low150 Ų150132.1 Ų132.180%0.80279%0.785SS**  trans86.7130.9132.3-54.2-42.4000122.5
283E53Low50.9Low188 Ų188131.3 Ų131.388%0.87979%0.786SS**  trans-65.4161.4168.4-51.8-172.898.900110.8
284P49.5Very low51Low112 Ų112131.5 Ų131.573%0.72778%0.781SS**  -156.8170.788.939.7-19.7000118
285S52.5Low50.9Low88 Ų88136 Ų13662%0.61579%0.787SS**  trans57.3118.5139.960.80000121.7D287S285-D287 VanDerWaalsContact C-N 3.26Å; S285-D287 PolarHBondContact O-N 3.34Å
286D47.3Very low51.1Low169 Ų169140.8 Ų140.890%0.90479%0.792SS**  trans-7668.3163-147.5-11.7000110.4
287D50.4Low50.9Low126 Ų126140.5 Ų140.567%0.67480%0.796SS**  trans-107.5117.2175.9-109.6-51.7000111.7S285S285-D287 VanDerWaalsContact C-N 3.26Å; S285-D287 PolarHBondContact O-N 3.34Å
288L61.8Low51.2Low149 Ų149144.1 Ų144.178%0.7880%0.799SS**  trans-119.290.7172.9-79178.9000109
289E55.8Low51.7Low159 Ų159148 Ų14874%0.74380%0.802SS**  trans-57.3141-177.5-58.9-169.6148.200113.7
290E52Low51.9Low158 Ų158149.5 Ų149.574%0.73881%0.807SS**  trans-104.694.8154-74.1-175.4144.700107.1K363E290-K363 IonicContact OE1-NZ 2.65Å; E290-K363 PolarHBondContact OE1-NZ 3Å
291Q54.6Low51.8Low175 Ų175147.2 Ų147.282%0.81880%0.801SS**  trans-92.5105171.6-160.1-178.730.400108.9
292E55.9Low52.2Low191 Ų191148 Ų14889%0.89381%0.807SS**  trans-82.2137.4165.6-67.9-165.4138.900109.2
293G49.5Very low52.4Low83 Ų83147.5 Ų147.586%0.85680%0.804SS**  trans-93.9144-175.800000113.3
294S49.8Very low52.7Low107 Ų107147 Ų14775%0.74880%0.802SS**  trans-122.9126165.857.80000110.4
295E45.2Very low52.8Low184 Ų184146.1 Ų146.186%0.8680%0.798SS**  trans29.4118.2142.4-54.7-178.417000119.1
296E51.7Low53Low202 Ų202148.4 Ų148.494%0.94480%0.799SS**  -165.5165.5106.9-103.9176.4-176.900111.4
297A46.3Very low53.5Low93 Ų93147.2 Ų147.277%0.76979%0.788SS**  trans-96.8168.5-173.400000112.4
298E57.3Low53.9Low195 Ų195148.5 Ų148.591%0.91179%0.79SS**  trans-173.9163.8142.9-93-87.8103.400109.4
299K56.3Low53.7Low199 Ų199149 Ų14987%0.86579%0.786SS**  trans-110.5152.1-171.1-69.2169.7173.91710113.3
300S56.1Low53.7Low114 Ų114148.9 Ų148.980%0.79779%0.785SS**  trans162122149.9177.30000107.4
301D49.5Very low53.6Low149 Ų149148.1 Ų148.180%0.79778%0.782SS**  cis83.177.123.1-153.516.8000117.3
302S55.5Low53.7Low117 Ų117147 Ų14782%0.81879%0.787SS**  trans176.9166.1147.2-830000111.4
303N50.8Low53.7Low140 Ų140145.2 Ų145.275%0.74978%0.776SS**  -167.9166.9-53.6-155.3-11.8000107.4
304Q58.3Low53.8Low177 Ų177148.9 Ų148.983%0.82778%0.776SS**  trans64.6147.7169.7-66.9175.1-28.100116.9
305S53.3Low53.7Low93 Ų93147.9 Ų147.965%0.6578%0.775SS**  cis-156.4-170.5-13.9570000107.4
306Q56.4Low54.1Low136 Ų136147.4 Ų147.464%0.63677%0.772SS**  cis-159.5176.65.3-141.7152.9-70.700109.6
307E57.7Low54.3Low144 Ų144144.7 Ų144.767%0.67376%0.757SS**  trans45.3139.2147.5-81.5142.2-154.200122.4
308E58.1Low54.5Low154 Ų154147.8 Ų147.872%0.7276%0.756SS**  cis-160.1154.92.8-140.5170.2-167.600113
309K57.2Low54.3Low159 Ų159142 Ų14269%0.69174%0.741SS**  trans23.9154.2147.3-75.9178.1161.5-147.10123
310E57Low54.3Low157 Ų157141.5 Ų141.573%0.73474%0.741SS**  cis-152.5165.110.9-138.7155.5-148.200112.8
311E49.9Very low54.2Low142 Ų142141.2 Ų141.266%0.66474%0.74SS**  trans-91.6159.3-178.7-70.8-174.8103.200114K313E311-K313 IonicContact OE1-NZ 2.65Å; E311-K313 PolarHBondContact OE1-NZ 3.31Å
312T56.5Low54.3Low151 Ų151141.8 Ų141.893%0.92674%0.742SS**  -158137.6129.95.60000111.4
313K55Low54.1Low154 Ų154142.5 Ų142.567%0.6775%0.747SS**  trans-115160.4178.9-72.8177.8-178.3104.20110.9E311E311-K313 IonicContact OE1-NZ 2.65Å; E311-K313 PolarHBondContact OE1-NZ 3.31Å
314N52.4Low54.3Low159 Ų159140.6 Ų140.685%0.8575%0.745SS**  trans125.6139.8149.4-62.1-22.6000112.3
315A47.6Very low54.2Low87 Ų87137 Ų13772%0.71974%0.74SS**  cis148.691.7-21.700000108.6
316H53.1Low54.2Low173 Ų173140.3 Ų140.380%0.80175%0.749SS**  trans-165.3111.4157.1-130.7-110000107.2
317K55Low53.5Low145 Ų145141 Ų14163%0.6376%0.763SS**  82.8117.276.3-100.3-177.8162.7-119.10114.3
318E52.2Low52.8Low158 Ų158139.2 Ų139.274%0.73877%0.767SS**  trans68.8140.8145.6-62.1175.5-123.500117.2
319A53Low52.2Low73 Ų73139.7 Ų139.760%0.60377%0.773SS**  cis-163.4176.1-10.500000110.8
320H55.1Low52Low189 Ų189138.3 Ų138.388%0.87577%0.769SS**  trans74.4141.4162.5-64.2-76.6000122.1
321S54Low51.9Low109 Ų109137.5 Ų137.576%0.76277%0.77SS**  trans108.197.8140.7-135.10000119.2
322D52.7Low52Low160 Ų160138.8 Ų138.886%0.85677%0.773SS**  trans28.3107.3137-62.1-27.9000120
323S50.3Low52.3Low132 Ų132135.6 Ų135.692%0.92375%0.754SS**  trans-135.5136.1143.4-173.50000109.5
324S56.4Low52.2Low101 Ų101134 Ų13471%0.70676%0.759SS**  trans-127.1149-164.871.10000112.9
325S54.5Low52.4Low101 Ų101131.5 Ų131.571%0.70674%0.744SS**  trans67.7102.2154.5-45.70000117.9
326L53.5Low52.8Low162 Ų162136.3 Ų136.385%0.84875%0.749SS**SBend16590.398.5-82.4-177.9000112.6
327T42.9Very low53Low150 Ų150139.7 Ų139.792%0.9276%0.755SS**  trans179.342.8139.325.60000110.6L329T327-L329 PolarHBondContact O-N 3.06Å
328S43.3Very low53.2Low108 Ų108144 Ų14476%0.75577%0.767SS**  trans-82.5108.4-179-176.60000112
329L45.6Very low53.4Low163 Ų163146.2 Ų146.285%0.85377%0.769SS**  trans-13649.6154.9-160.197.7000110.1T327 D331T327-L329 PolarHBondContact O-N 3.06Å; L329-D331 PolarHBondContact O-N 3.4Å
330E51.9Low53.7Low130 Ų130152 Ų15261%0.60778%0.783SS**  trans-92.586.2173.1-78174.681.400110.9K332E330-K332 PolarHBondContact O-N 3.08Å; E330-K332 VanDerWaalsContact OE1-CE 3.29Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.8Å; E330-K332 PolarHBondContact OE1-NZ 2.88Å
331D54.1Low53.8Low140 Ų140155.2 Ų155.275%0.74979%0.788SS**  trans-6977.6167.7-104.2-37.2000110.7L329 T333L329-D331 PolarHBondContact O-N 3.4Å; D331-T333 PolarHBondContact O-N 3.37Å
332K53.9Low54.1Low170 Ų170158.9 Ų158.974%0.73979%0.79SS**  trans-7069.9171.4-78.6168.8174.2141.80110.7E330E330-K332 PolarHBondContact O-N 3.08Å; E330-K332 VanDerWaalsContact OE1-CE 3.29Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.8Å; E330-K332 PolarHBondContact OE1-NZ 2.88Å
333T62Low54.3Low84 Ų84161.9 Ų161.952%0.51579%0.789SS.*  trans-97.1129.1165.955.60000110.6D331 I335D331-T333 PolarHBondContact O-N 3.37Å; T333-I335 VanDerWaalsContact C-N 3.28Å; T333-I335 PolarHBondContact O-N 3Å
334P53.4Low54.4Low119 Ų119159.7 Ų159.777%0.77378%0.779SS**  trans-77.477.117931.8-35.1000110.6K336P334-K336 PolarHBondContact O-N 3.5Å
335I56.3Low54.3Low107 Ų107162.3 Ų162.355%0.54978%0.778SS.*  trans-75.955172.2-47.2-177.4000110.3T333T333-I335 VanDerWaalsContact C-N 3.28Å; T333-I335 PolarHBondContact O-N 3Å
336K55.9Low54.4Low188 Ų188164.7 Ų164.782%0.81778%0.782SS**  trans-73.1129.9165.4-95.8179175.7175.80108.4P334P334-K336 PolarHBondContact O-N 3.5Å
337R58Low54.5Low244 Ų244163 Ų16392%0.92177%0.774SS**SBendtrans71.846.7161.4-46.7179.897.2164.87.2119.5
338R58.2Low55.1Low237 Ų237160.1 Ų160.189%0.89475%0.752SS**  trans-15130.2160.2-146.4173.7146.6171.2-6.5118.3
339R56.5Low55.8Low203 Ų203162.9 Ų162.977%0.76675%0.753SS**  trans-121.14.1-178.5-78.8-173172.7-178.8-0.2117.6
340Q58.4Low56.3Low194 Ų194158.6 Ų158.691%0.90773%0.729SS**G310 helixtrans-82.6-16.9-178.9-82.3171.5-37.200115.8K342Q340-K342 PolarHBondContact O-N 3.4Å
341R58.4Low56.4Low258 Ų258156.4 Ų156.497%0.97473%0.733SS**G310 helixtrans-90.221.6-176.2-77.5-171.7170.2-176.9-3.2116.3
342K59.2Low56.5Low185 Ų185158.4 Ų158.480%0.80474%0.735SS**G310 helixtrans-134.49.8-178.9-138.8-178.8-176.1-177.10116.3Q340Q340-K342 PolarHBondContact O-N 3.4Å
343R56.7Low56.6Low224 Ų224153.3 Ų153.385%0.84572%0.721SS**SBendtrans-96.9-18174.8-78.5-172.5170.7-175-3114.6K345R343-K345 PolarHBondContact O-N 3.1Å
344A53.2Low56.4Low86 Ų86153.4 Ų153.471%0.71174%0.739SS**THydrogen-bonded Turntrans-76.17.6178.700000115.1
345K54.2Low57.2Low155 Ų155152.6 Ų152.667%0.67473%0.732SS**THydrogen-bonded Turntrans-118.118.7-165.9-137.4177.4-170.3176.30115.2R343R343-K345 PolarHBondContact O-N 3.1Å
346L56.8Low58.4Low151 Ų151154.8 Ų154.879%0.79175%0.75SS**SBendtrans-106.8-20175.3-70.9176.8000113.1
347D55.9Low59.8Low127 Ų127149.1 Ų149.168%0.67973%0.726SS**SBendtrans-84.5-24.9173.8-56.6-64.8000111.9E349 Q350D347-E349 VanDerWaalsContact C-N 3.26Å; D347-E349 PolarHBondContact O-N 3.44Å; D347-Q350 PolarHBondContact O-N 2.86Å; D347-Q350 VanDerWaalsContact O-N 3.14Å
348D55.8Low61.5Low89 Ų89141 Ų14148%0.47670%0.701SS.*G310 helixtrans-57.7-25.9176.7-85.7-25.3000115Q350 A351D348-Q350 PolarHBondContact O-N 3.4Å; D348-A351 PolarHBondContact O-N 2.85Å
349E57Low63.2Low166 Ų166133.6 Ų133.678%0.77669%0.691SS**G310 helixtrans-68.5-20.2178.6-77.8-142.1129.700112.6D347 A351D347-E349 VanDerWaalsContact C-N 3.26Å; D347-E349 PolarHBondContact O-N 3.44Å; E349-A351 VanDerWaalsContact C-N 3.29Å
350Q55.8Low65.1Low73 Ų73133.1 Ų133.134%0.34169%0.689SS.*G310 helixtrans-77.7-15.6175.9-165.2151.5-11.200112.8D347 D348 K352 R369D347-Q350 PolarHBondContact O-N 2.86Å; D347-Q350 VanDerWaalsContact O-N 3.14Å; D348-Q350 PolarHBondContact O-N 3.4Å; Q350-K352 VanDerWaalsContact C-N 3.32Å; Q350-K352 PolarHBondContact O-N 3.47Å; Q350-R369 VanDerWaalsContact OE1-NH1 3.09Å
351A54.4Low66.9Low84 Ų84124 Ų12469%0.69465%0.646SS**G310 helixtrans-81.9-4.1176.300000114.2D348 E349D348-A351 PolarHBondContact O-N 2.85Å; E349-A351 VanDerWaalsContact C-N 3.29Å
352K56.1Low68.6Low183 Ų183113.8 Ų113.880%0.79661%0.613SS**G310 helixtrans-101.9-3.5-173.3-80-173.3173.3-176.50116.3Q350 G354Q350-K352 VanDerWaalsContact C-N 3.32Å; Q350-K352 PolarHBondContact O-N 3.47Å; K352-G354 PolarHBondContact O-N 3.45Å
353S55.8Low70.4Confident62 Ų62109.5 Ų109.543%0.43459%0.594SS.*SBendtrans-81106.416348.70000108.6T355S353-T355 PolarHBondContact O-N 3.3Å
354G58Low72.3Confident87 Ų8799.4 Ų99.490%0.89756%0.557SS**SBendtrans-69.332.5-170.900000117K352K352-G354 PolarHBondContact O-N 3.45Å
355T71.4Confident74.4Confident102 Ų10296 Ų9663%0.62653%0.526SS*.SBendtrans-123.3126.1167.524.10000107.7S353 E357S353-T355 PolarHBondContact O-N 3.3Å; T355-E357 VanDerWaalsContact C-N 3.28Å; T355-E357 PolarHBondContact O-N 3.5Å
356V81.2Confident76.4Confident152 Ų15295.8 Ų95.892%0.92152%0.521SS*.  trans-70.285.9179-177.70000108.8
357E84.7Confident78.4Confident69 Ų6990.3 Ų90.332%0.32249%0.49SS..  trans-69.4133.6175.8-63.9-166.3144.400110.5T355 A359 K365T355-E357 VanDerWaalsContact C-N 3.28Å; T355-E357 PolarHBondContact O-N 3.5Å; E357-A359 PolarHBondContact O-N 3.37Å; E357-K365 IonicContact OE1-NZ 3.63Å; E357-K365 PolarHBondContact OE1-NZ 3.46Å; E357-K365 IonicContact OE2-NZ 3.85Å; E357-K365 PolarHBondContact OE2-NZ 2.96Å
358N93.4Very high80.3Confident73 Ų7384.3 Ų84.339%0.3946%0.458SS..  trans-48.3130.2177.5-73-91.9000112.6R360 L361 T362 D387N358-R360 PolarHBondContact O-N 3.49Å; N358-R360 VanDerWaalsContact O-N 3.14Å; N358-L361 HydrophobicContact CB-CB 4.32Å; N358-L361 WeakPolarHBondContact O-CA 3.46Å; N358-L361 WeakPolarHBondContact O-CB 3.2Å; N358-L361 PolarHBondContact O-N 3.33Å; N358-T362 PolarHBondContact O-N 3.27Å; N358-T362 VanDerWaalsContact O-N 3.08Å; N358-D387 VanDerWaalsContact ND2-CB 3.25Å; N358-D387 WeakPolarHBondContact ND2-CB 3.5Å; N358-D387 PolarHBondContact ND2-OD2 2.93Å
359A95.1Very high82.3Confident82 Ų8286.9 Ų86.968%0.67846%0.461SS*.Hα-helixtrans-53.6-39-178.600000112.9E357 L361 T362 K363E357-A359 PolarHBondContact O-N 3.37Å; A359-L361 PolarHBondContact O-N 3.41Å; A359-T362 WeakPolarHBondContact O-CB 3.38Å; A359-T362 PolarHBondContact O-N 3.45Å; A359-K363 WeakPolarHBondContact O-CB 3.48Å; A359-K363 PolarHBondContact O-N 2.83Å
360R95.4Very high84.2Confident193 Ų19381.4 Ų81.473%0.72844%0.439SS*.Hα-helixtrans-59.3-41.3174.2-67.9-176.5176.1-168.7-2.8112.7N358 K363 L364 I391N358-R360 PolarHBondContact O-N 3.49Å; N358-R360 VanDerWaalsContact O-N 3.14Å; R360-K363 PolarHBondContact O-N 3.45Å; R360-L364 WeakPolarHBondContact O-CG 3.34Å; R360-L364 PolarHBondContact O-N 3.4Å; R360-I391 HydrophobicContact CB-CD1 4Å
361L95.9Very high86.2Confident2 Ų278 Ų781%0.0142%0.423CS..Hα-helixtrans-68-40.7176.5-170.670.1000111N358 A359 L364 K365 F381 R390 I391 L394N358-L361 HydrophobicContact CB-CB 4.32Å; N358-L361 WeakPolarHBondContact O-CA 3.46Å; N358-L361 WeakPolarHBondContact O-CB 3.2Å; N358-L361 PolarHBondContact O-N 3.33Å; A359-L361 PolarHBondContact O-N 3.41Å; L361-L364 PolarHBondContact O-N 2.9Å; L361-K365 WeakPolarHBondContact O-CG 3.48Å; L361-K365 PolarHBondContact O-N 2.91Å; L361-F381 HydrophobicContact CD1-CZ 3.96Å; L361-R390 HydrophobicContact CD1-CB 4.06Å; L361-R390 HydrophobicContact CD2-CB 4.39Å; L361-I391 HydrophobicContact CB-CG1 4.1Å; L361-I391 HydrophobicContact CD1-CG1 3.95Å; L361-L394 HydrophobicContact CD1-CD2 4.03Å
362T95.5Very high88.2Confident45 Ų4576.6 Ų76.628%0.27642%0.417SS..Hα-helixtrans-61.2-42173.4-78.20000112.4N358 A359 K365 R366N358-T362 PolarHBondContact O-N 3.27Å; N358-T362 VanDerWaalsContact O-N 3.08Å; A359-T362 WeakPolarHBondContact O-CB 3.38Å; A359-T362 PolarHBondContact O-N 3.45Å; T362-K365 PolarHBondContact O-N 2.94Å; T362-R366 PolarHBondContact O-N 3.19Å
363K95.9Very high90.1Very high94 Ų9468.1 Ų68.141%0.40938%0.38SS..Hα-helixtrans-60.1-45.3174.4-158173.3-173.2173.20111E290 A359 R360 R366 Y367E290-K363 IonicContact OE1-NZ 2.65Å; E290-K363 PolarHBondContact OE1-NZ 3Å; A359-K363 WeakPolarHBondContact O-CB 3.48Å; A359-K363 PolarHBondContact O-N 2.83Å; R360-K363 PolarHBondContact O-N 3.45Å; K363-R366 WeakPolarHBondContact O-CB 3.41Å; K363-R366 PolarHBondContact O-N 2.89Å; K363-Y367 HydrophobicContact CG-CE2 3.87Å; K363-Y367 VanDerWaalsContact O-CD2 3.24Å; K363-Y367 WeakPolarHBondContact O-CD2 3.3Å; K363-Y367 PolarHBondContact O-N 3.26Å
364L96.9Very high92Very high12 Ų1276.2 Ų76.26%0.06340%0.401CS..Hα-helixtrans-65.3-43.1175.4-70.9166.8000113.4R360 L361 R366 Y367 A368 I391 L394 K395 L398 L407R360-L364 WeakPolarHBondContact O-CG 3.34Å; R360-L364 PolarHBondContact O-N 3.4Å; L361-L364 PolarHBondContact O-N 2.9Å; L364-R366 PolarHBondContact O-N 2.96Å; L364-Y367 HydrophobicContact CD2-CD2 4.37Å; L364-Y367 PolarHBondContact O-N 2.89Å; L364-Y367 VanDerWaalsContact O-N 3.15Å; L364-A368 PolarHBondContact O-N 2.96Å; L364-I391 HydrophobicContact CD1-CB 4.4Å; L364-I391 HydrophobicContact CD1-CG1 4.43Å; L364-I391 HydrophobicContact CD1-CG2 3.86Å; L364-L394 HydrophobicContact CB-CD2 3.48Å; L364-L394 VanDerWaalsContact CB-CD2 3.48Å; L364-L394 HydrophobicContact CB-CG 3.93Å; L364-K395 HydrophobicContact CD1-CG 4.25Å; L364-K395 HydrophobicContact CD2-CG 4.24Å; L364-L398 HydrophobicContact CD2-CD1 3.8Å; L364-L407 HydrophobicContact CD2-CD1 3.52Å
365K97Very high93.8Very high16 Ų1672.7 Ų72.77%0.0736%0.363CS..Hα-helixtrans-59.3-34.6172.9-72.6176.6179.4-178.60111.7E357 L361 T362 R369 Y377 L394E357-K365 IonicContact OE1-NZ 3.63Å; E357-K365 PolarHBondContact OE1-NZ 3.46Å; E357-K365 IonicContact OE2-NZ 3.85Å; E357-K365 PolarHBondContact OE2-NZ 2.96Å; L361-K365 WeakPolarHBondContact O-CG 3.48Å; L361-K365 PolarHBondContact O-N 2.91Å; T362-K365 PolarHBondContact O-N 2.94Å; K365-R369 VanDerWaalsContact O-CG 3.28Å; K365-R369 WeakPolarHBondContact O-CG 3.38Å; K365-R369 PolarHBondContact O-N 3.26Å; K365-R369 VanDerWaalsContact O-N 3.13Å; K365-Y377 HydrophobicContact CD-CE1 4.44Å; K365-Y377 HydrophobicContact CG-CD1 4.43Å; K365-Y377 HydrophobicContact CG-CE1 3.74Å; K365-L394 HydrophobicContact CG-CD2 3.94Å
366R96.9Very high95Very high150 Ų15073 Ų7357%0.56636%0.359SS*.Hα-helixtrans-66.5-45.9173.6-168.6-178.9-174.9-175.14.3111.5T362 K363 L364 R369 T370T362-R366 PolarHBondContact O-N 3.19Å; K363-R366 WeakPolarHBondContact O-CB 3.41Å; K363-R366 PolarHBondContact O-N 2.89Å; L364-R366 PolarHBondContact O-N 2.96Å; R366-R369 PolarHBondContact O-N 3.49Å; R366-T370 WeakPolarHBondContact O-CG2 3.48Å; R366-T370 PolarHBondContact O-N 3.48Å; R366-T370 PolarHBondContact O-OG1 3.34Å
367Y97.8Very high95.7Very high36 Ų3668.1 Ų68.114%0.14133%0.325CS..Hα-helixtrans-59.4-44.7175.3-66.7-52.8000112.5K363 L364 R369 T370 A371 L407 L409K363-Y367 HydrophobicContact CG-CE2 3.87Å; K363-Y367 VanDerWaalsContact O-CD2 3.24Å; K363-Y367 WeakPolarHBondContact O-CD2 3.3Å; K363-Y367 PolarHBondContact O-N 3.26Å; L364-Y367 HydrophobicContact CD2-CD2 4.37Å; L364-Y367 PolarHBondContact O-N 2.89Å; L364-Y367 VanDerWaalsContact O-N 3.15Å; Y367-R369 PolarHBondContact O-N 3.26Å; Y367-T370 WeakPolarHBondContact CA-OG1 3.48Å; Y367-T370 PolarHBondContact O-N 2.97Å; Y367-T370 PolarHBondContact O-OG1 2.87Å; Y367-A371 WeakPolarHBondContact O-CB 3.2Å; Y367-A371 PolarHBondContact O-N 3.44Å; Y367-L407 HydrophobicContact CD2-CB 4.23Å; Y367-L407 HydrophobicContact CE2-CB 4.16Å; Y367-L407 PolarHBondContact OH-O 3.05Å; Y367-L409 HydrophobicContact CD1-CD2 3.81Å; Y367-L409 HydrophobicContact CD1-CG 4.45Å; Y367-L409 HydrophobicContact CE1-CD2 3.73Å; Y367-L409 HydrophobicContact CE1-CG 3.93Å
368A97.3Very high96.2Very high0 Ų073.9 Ų73.90%035%0.349CS..Hα-helixtrans-54.9-5317400000111.2L364 T370 A371 G372 L373 L398L364-A368 PolarHBondContact O-N 2.96Å; A368-T370 VanDerWaalsContact C-N 3.33Å; A368-T370 PolarHBondContact O-N 2.92Å; A368-A371 PolarHBondContact O-N 2.97Å; A368-G372 PolarHBondContact O-N 3.08Å; A368-L373 CarbonylContact C-O 3.44Å; A368-L373 HydrophobicContact CB-CB 4.18Å; A368-L373 WeakPolarHBondContact O-CA 3.23Å; A368-L373 WeakPolarHBondContact O-CB 3.34Å; A368-L373 PolarHBondContact O-N 2.9Å; A368-L398 HydrophobicContact CB-CD2 3.99Å
369R96.9Very high96.3Very high143 Ų14377.8 Ų77.854%0.5436%0.362SS..Hα-helixtrans-58-40.8178.6-71.4170.9-178170.63112.6Q350 K365 R366 Y367 G372Q350-R369 VanDerWaalsContact OE1-NH1 3.09Å; K365-R369 VanDerWaalsContact O-CG 3.28Å; K365-R369 WeakPolarHBondContact O-CG 3.38Å; K365-R369 PolarHBondContact O-N 3.26Å; K365-R369 VanDerWaalsContact O-N 3.13Å; R366-R369 PolarHBondContact O-N 3.49Å; Y367-R369 PolarHBondContact O-N 3.26Å; R369-G372 PolarHBondContact O-N 2.93Å
370T97.5Very high96.4Very high52 Ų5275.9 Ų75.932%0.31934%0.34SS..Hα-helixtrans-74.9-26.2-179.855.10000113.6R366 Y367 A368 G372 L409 C412R366-T370 WeakPolarHBondContact O-CG2 3.48Å; R366-T370 PolarHBondContact O-N 3.48Å; R366-T370 PolarHBondContact O-OG1 3.34Å; Y367-T370 WeakPolarHBondContact CA-OG1 3.48Å; Y367-T370 PolarHBondContact O-N 2.97Å; Y367-T370 PolarHBondContact O-OG1 2.87Å; A368-T370 VanDerWaalsContact C-N 3.33Å; A368-T370 PolarHBondContact O-N 2.92Å; T370-G372 PolarHBondContact O-N 3.39Å; T370-L409 HydrophobicContact CG2-CD2 4.25Å; T370-C412 WeakPolarHBondContact OG1-CB 3.47Å
371A97.4Very high96.4Very high0 Ų068 Ų680%031%0.311CS..THydrogen-bonded Turntrans-76.7-1.8170.800000113.8Y367 A368 L373 L403 C412Y367-A371 WeakPolarHBondContact O-CB 3.2Å; Y367-A371 PolarHBondContact O-N 3.44Å; A368-A371 PolarHBondContact O-N 2.97Å; A371-L373 VanDerWaalsContact C-N 3.28Å; A371-L373 HydrophobicContact CB-CD1 4.08Å; A371-L373 HydrophobicContact CB-CG 4.2Å; A371-L403 HydrophobicContact CB-CD1 3.91Å; A371-C412 HydrophobicContact CB-CB 4.1Å
372G96.3Very high96.5Very high55 Ų5571.3 Ų71.357%0.56734%0.338SS*.THydrogen-bonded Turntrans80.74.9-173.600000114.1A368 R369 T370A368-G372 PolarHBondContact O-N 3.08Å; R369-G372 PolarHBondContact O-N 2.93Å; T370-G372 PolarHBondContact O-N 3.39Å
373L96.3Very high96.5Very high6 Ų676.4 Ų76.43%0.03136%0.364CS..  trans-78134.6178.2-63.4166.1000110.8A368 A371 P375 Y397 L398 N401 L403A368-L373 CarbonylContact C-O 3.44Å; A368-L373 HydrophobicContact CB-CB 4.18Å; A368-L373 WeakPolarHBondContact O-CA 3.23Å; A368-L373 WeakPolarHBondContact O-CB 3.34Å; A368-L373 PolarHBondContact O-N 2.9Å; A371-L373 VanDerWaalsContact C-N 3.28Å; A371-L373 HydrophobicContact CB-CD1 4.08Å; A371-L373 HydrophobicContact CB-CG 4.2Å; L373-P375 VanDerWaalsContact C-CD 3.47Å; L373-Y397 HydrophobicContact CB-CE1 4.25Å; L373-Y397 HydrophobicContact CD1-CE1 4.23Å; L373-Y397 HydrophobicContact CD2-CE1 4.26Å; L373-Y397 HydrophobicContact CG-CE1 4.5Å; L373-L398 HydrophobicContact CD1-CD2 3.69Å; L373-N401 HydrophobicContact CD1-CB 3.84Å; L373-N401 HydrophobicContact CD2-CB 3.98Å; L373-N401 WeakPolarHBondContact CD2-OD1 3.34Å; L373-L403 HydrophobicContact CD1-CD1 4.13Å
374R94.9Very high96.5Very high231 Ų23172.7 Ų72.787%0.87235%0.349SS*.  trans-130.463.4176.5-64.5-173.3176.6-164.7-1.1110.9
375P95.4Very high96.4Very high14 Ų1476.3 Ų76.39%0.09138%0.382CS..  trans-60.7146.7176.825.3-33.3000111.2L373 Y377 M380 Y397L373-P375 VanDerWaalsContact C-CD 3.47Å; P375-Y377 VanDerWaalsContact C-N 3.31Å; P375-Y377 HydrophobicContact CG-CD1 4.29Å; P375-Y377 HydrophobicContact CG-CE1 3.7Å; P375-Y377 HydrophobicContact CG-CE2 4.36Å; P375-Y377 WeakPolarHBondContact O-CD2 3.31Å; P375-Y377 PolarHBondContact O-N 3.42Å; P375-M380 HydrophobicContact CB-SD 4.2Å; P375-Y397 HydrophobicContact CB-CD1 4.16Å; P375-Y397 HydrophobicContact CB-CE1 3.63Å; P375-Y397 HydrophobicContact CB-CE2 4.38Å; P375-Y397 HydrophobicContact CG-CD1 4.14Å; P375-Y397 HydrophobicContact CG-CE1 3.67Å
376I96.5Very high96.3Very high108 Ų10878.8 Ų78.855%0.55440%0.398SS*.  trans-80.484.1174.1-54.4175.8000107.6K378 K379 M380I376-K378 PolarHBondContact O-N 3.43Å; I376-K379 HydrophobicContact CB-CB 4.5Å; I376-K379 HydrophobicContact CB-CD 4.49Å; I376-K379 HydrophobicContact CB-CG 4.43Å; I376-K379 HydrophobicContact CD1-CD 4.43Å; I376-K379 HydrophobicContact CG2-CB 4.34Å; I376-K379 HydrophobicContact CG2-CD 4.23Å; I376-K379 HydrophobicContact CG2-CG 3.9Å; I376-K379 PolarHBondContact O-N 2.99Å; I376-M380 PolarHBondContact O-N 3.25Å
377Y96.2Very high96.3Very high49 Ų4974.1 Ų74.119%0.19238%0.384CS..Hα-helixtrans-49.1-35.5-175.8-61.7-73.3000114K365 P375 K379 M380 F381 L394K365-Y377 HydrophobicContact CD-CE1 4.44Å; K365-Y377 HydrophobicContact CG-CD1 4.43Å; K365-Y377 HydrophobicContact CG-CE1 3.74Å; P375-Y377 VanDerWaalsContact C-N 3.31Å; P375-Y377 HydrophobicContact CG-CD1 4.29Å; P375-Y377 HydrophobicContact CG-CE1 3.7Å; P375-Y377 HydrophobicContact CG-CE2 4.36Å; P375-Y377 WeakPolarHBondContact O-CD2 3.31Å; P375-Y377 PolarHBondContact O-N 3.42Å; Y377-K379 VanDerWaalsContact C-N 3.3Å; Y377-K379 PolarHBondContact O-N 2.79Å; Y377-M380 HydrophobicContact CD1-CE 3.89Å; Y377-M380 HydrophobicContact CE1-CE 4.31Å; Y377-M380 PolarHBondContact O-N 3.5Å; Y377-F381 AromaticContact CD1-CE2 3.71Å; Y377-F381 HydrophobicContact CD1-CE2 3.71Å; Y377-F381 AromaticContact CD1-CZ 3.9Å; Y377-F381 HydrophobicContact CD1-CZ 3.9Å; Y377-F381 HydrophobicContact CG-CE2 4.21Å; Y377-F381 WeakPolarHBondContact O-CB 3.33Å; Y377-F381 VanDerWaalsContact O-CD2 3.31Å; Y377-F381 WeakPolarHBondContact O-CD2 3.42Å; Y377-F381 WeakPolarHBondContact O-CG 3.41Å; Y377-F381 PolarHBondContact O-N 2.95Å; Y377-L394 HydrophobicContact CE1-CD1 4.26Å; Y377-L394 HydrophobicContact CE1-CD2 4.38Å
378K95.5Very high96.2Very high191 Ų19180.9 Ų80.983%0.8341%0.414SS*.Hα-helixtrans-61.1-32.9176.7-67.2-169.8176.4-170.50114I376I376-K378 PolarHBondContact O-N 3.43Å
379K96.6Very high96.2Very high155 Ų15584.9 Ų84.967%0.67443%0.433SS*.Hα-helixtrans-82.4-46.6177.3-67.3-172.4175.1-167.60110.7I376 Y377 F381 A382I376-K379 HydrophobicContact CB-CB 4.5Å; I376-K379 HydrophobicContact CB-CD 4.49Å; I376-K379 HydrophobicContact CB-CG 4.43Å; I376-K379 HydrophobicContact CD1-CD 4.43Å; I376-K379 HydrophobicContact CG2-CB 4.34Å; I376-K379 HydrophobicContact CG2-CD 4.23Å; I376-K379 HydrophobicContact CG2-CG 3.9Å; I376-K379 PolarHBondContact O-N 2.99Å; Y377-K379 VanDerWaalsContact C-N 3.3Å; Y377-K379 PolarHBondContact O-N 2.79Å; K379-F381 PolarHBondContact O-N 2.91Å; K379-A382 VanDerWaalsContact O-CB 3.31Å; K379-A382 WeakPolarHBondContact O-CB 3.38Å; K379-A382 PolarHBondContact O-N 3.46Å; K379-A382 VanDerWaalsContact O-N 3.16Å
380M96.1Very high96.3Very high42 Ų4281.8 Ų81.821%0.20742%0.421CS..Hα-helixtrans-65.4-24.3-178.6-170.2-179.877.600113.7P375 I376 Y377 L394 Y397P375-M380 HydrophobicContact CB-SD 4.2Å; I376-M380 PolarHBondContact O-N 3.25Å; Y377-M380 HydrophobicContact CD1-CE 3.89Å; Y377-M380 HydrophobicContact CE1-CE 4.31Å; Y377-M380 PolarHBondContact O-N 3.5Å; M380-L394 HydrophobicContact CE-CB 3.98Å; M380-L394 HydrophobicContact CE-CD1 3.71Å; M380-L394 HydrophobicContact CE-CG 4.32Å; M380-L394 HydrophobicContact SD-CD1 4.49Å; M380-Y397 HydrophobicContact SD-CD1 4.46Å; M380-Y397 HydrophobicContact SD-CD2 4.48Å; M380-Y397 HydrophobicContact SD-CG 4.05Å
381F96.6Very high96.3Very high28 Ų2880.8 Ų80.812%0.12341%0.414CS..THydrogen-bonded Turntrans-10510.2175.9-56.1-33.9000113.8L361 Y377 K379 C384 R390 L394L361-F381 HydrophobicContact CD1-CZ 3.96Å; Y377-F381 AromaticContact CD1-CE2 3.71Å; Y377-F381 HydrophobicContact CD1-CE2 3.71Å; Y377-F381 AromaticContact CD1-CZ 3.9Å; Y377-F381 HydrophobicContact CD1-CZ 3.9Å; Y377-F381 HydrophobicContact CG-CE2 4.21Å; Y377-F381 WeakPolarHBondContact O-CB 3.33Å; Y377-F381 VanDerWaalsContact O-CD2 3.31Å; Y377-F381 WeakPolarHBondContact O-CD2 3.42Å; Y377-F381 WeakPolarHBondContact O-CG 3.41Å; Y377-F381 PolarHBondContact O-N 2.95Å; K379-F381 PolarHBondContact O-N 2.91Å; F381-C384 HydrophobicContact CB-CB 4.39Å; F381-C384 PolarHBondContact O-N 3.01Å; F381-R390 HydrophobicContact CB-CG 4.18Å; F381-R390 HydrophobicContact CD1-CB 3.75Å; F381-R390 HydrophobicContact CD1-CG 3.71Å; F381-R390 HydrophobicContact CE1-CB 3.69Å; F381-R390 HydrophobicContact CE1-CG 4.18Å; F381-R390 WeakPolarHBondContact CE1-O 3.38Å; F381-R390 HydrophobicContact CG-CB 4.32Å; F381-R390 HydrophobicContact CG-CG 3.91Å; F381-R390 HydrophobicContact CZ-CB 4.21Å; F381-L394 HydrophobicContact CE1-CB 4.41Å; F381-L394 HydrophobicContact CZ-CD2 4.45Å
382A96.1Very high96.3Very high70 Ų7086.5 Ų86.558%0.57944%0.44SS*.THydrogen-bonded Turntrans-61.3-45.3-179.800000111.6K379 C384K379-A382 VanDerWaalsContact O-CB 3.31Å; K379-A382 WeakPolarHBondContact O-CB 3.38Å; K379-A382 PolarHBondContact O-N 3.46Å; K379-A382 VanDerWaalsContact O-N 3.16Å; A382-C384 VanDerWaalsContact C-N 3.3Å; A382-C384 PolarHBondContact O-N 2.87Å
383D95.4Very high96.3Very high152 Ų15285.1 Ų85.181%0.81342%0.423SS*.THydrogen-bonded Turntrans-88.65.2-178.4-44.4-58.5000112.9
384C96.4Very high96.4Very high16 Ų1684.8 Ų84.811%0.10842%0.422CS..  trans-101.294.9-175.5-67.60000111.9F381 A382 Q389 R390F381-C384 HydrophobicContact CB-CB 4.39Å; F381-C384 PolarHBondContact O-N 3.01Å; A382-C384 VanDerWaalsContact C-N 3.3Å; A382-C384 PolarHBondContact O-N 2.87Å; C384-Q389 HydrophobicContact CB-CB 4.09Å; C384-R390 HydrophobicContact CB-CG 3.5Å; C384-R390 PolarHBondContact O-NE 2.65Å
385A95.1Very high96.5Very high89 Ų8978.5 Ų78.574%0.73640%0.401SS*.  trans-66.5-37.3174.900000113Q389A385-Q389 VanDerWaalsContact N-OE1 3.15Å
386T96Very high96.5Very high67 Ų6781.2 Ų81.241%0.41142%0.415SS..SBendtrans-111.5151.4-175.566.30000113K388 Q389 R390T386-K388 PolarHBondContact O-N 3.29Å; T386-Q389 WeakPolarHBondContact O-CB 3.43Å; T386-Q389 PolarHBondContact O-N 3.06Å; T386-Q389 VanDerWaalsContact O-N 3.15Å; T386-Q389 VanDerWaalsContact OG1-CD 3.27Å; T386-Q389 VanDerWaalsContact OG1-CG 3.31Å; T386-Q389 WeakPolarHBondContact OG1-CG 3.27Å; T386-Q389 PolarHBondContact OG1-N 2.82Å; T386-Q389 PolarHBondContact OG1-OE1 2.95Å; T386-R390 PolarHBondContact O-N 2.65Å; T386-R390 VanDerWaalsContact O-N 3.09Å
387D95.6Very high96.5Very high52 Ų5278.7 Ų78.728%0.27840%0.399SS..Hα-helixtrans-67.3-23.7176.2-70.1-52.3000113.5N358 R390 I391N358-D387 VanDerWaalsContact ND2-CB 3.25Å; N358-D387 WeakPolarHBondContact ND2-CB 3.5Å; N358-D387 PolarHBondContact ND2-OD2 2.93Å; D387-R390 PolarHBondContact O-N 3.01Å; D387-R390 WeakPolarHBondContact OD1-CD 3.35Å; D387-R390 IonicContact OD1-CZ 3.17Å; D387-R390 IonicContact OD1-NE 2.65Å; D387-R390 IonicContact OD1-NH1 2.69Å; D387-R390 PolarHBondContact OD1-NH1 3.2Å; D387-I391 WeakPolarHBondContact O-CB 3.48Å; D387-I391 VanDerWaalsContact O-CG1 3.28Å; D387-I391 WeakPolarHBondContact O-CG1 3.27Å; D387-I391 PolarHBondContact O-N 3.48Å
388K96.9Very high96.6Very high179 Ų17976.4 Ų76.478%0.77839%0.389SS*.Hα-helixtrans-61.2-47.1169.7-68.5-174.3179.2-177.80110.8T386 R390 I391 Q392T386-K388 PolarHBondContact O-N 3.29Å; K388-R390 PolarHBondContact O-N 3.07Å; K388-I391 PolarHBondContact O-N 2.91Å; K388-Q392 PolarHBondContact O-N 2.88Å
389Q97.4Very high96.7Very high83 Ų8372 Ų7239%0.38837%0.372SS..Hα-helixtrans-61.7-42.2173.8-70.8160.4-30.700111.7C384 A385 T386 I391 Q392 A393C384-Q389 HydrophobicContact CB-CB 4.09Å; A385-Q389 VanDerWaalsContact N-OE1 3.15Å; T386-Q389 WeakPolarHBondContact O-CB 3.43Å; T386-Q389 PolarHBondContact O-N 3.06Å; T386-Q389 VanDerWaalsContact O-N 3.15Å; T386-Q389 VanDerWaalsContact OG1-CD 3.27Å; T386-Q389 VanDerWaalsContact OG1-CG 3.31Å; T386-Q389 WeakPolarHBondContact OG1-CG 3.27Å; T386-Q389 PolarHBondContact OG1-N 2.82Å; T386-Q389 PolarHBondContact OG1-OE1 2.95Å; Q389-I391 VanDerWaalsContact C-N 3.35Å; Q389-I391 PolarHBondContact O-N 2.88Å; Q389-Q392 PolarHBondContact O-N 2.81Å; Q389-A393 WeakPolarHBondContact O-CB 3.49Å; Q389-A393 PolarHBondContact O-N 3.14Å
390R97.7Very high96.6Very high79 Ų7971.6 Ų71.630%0.29837%0.373SS..Hα-helixtrans-62.2-40.2176.5-62.7179.8-171152.9-3.4112.7L361 F381 C384 T386 D387 K388 L394L361-R390 HydrophobicContact CD1-CB 4.06Å; L361-R390 HydrophobicContact CD2-CB 4.39Å; F381-R390 HydrophobicContact CB-CG 4.18Å; F381-R390 HydrophobicContact CD1-CB 3.75Å; F381-R390 HydrophobicContact CD1-CG 3.71Å; F381-R390 HydrophobicContact CE1-CB 3.69Å; F381-R390 HydrophobicContact CE1-CG 4.18Å; F381-R390 WeakPolarHBondContact CE1-O 3.38Å; F381-R390 HydrophobicContact CG-CB 4.32Å; F381-R390 HydrophobicContact CG-CG 3.91Å; F381-R390 HydrophobicContact CZ-CB 4.21Å; C384-R390 HydrophobicContact CB-CG 3.5Å; C384-R390 PolarHBondContact O-NE 2.65Å; T386-R390 PolarHBondContact O-N 2.65Å; T386-R390 VanDerWaalsContact O-N 3.09Å; D387-R390 PolarHBondContact O-N 3.01Å; D387-R390 WeakPolarHBondContact OD1-CD 3.35Å; D387-R390 IonicContact OD1-CZ 3.17Å; D387-R390 IonicContact OD1-NE 2.65Å; D387-R390 IonicContact OD1-NH1 2.69Å; D387-R390 PolarHBondContact OD1-NH1 3.2Å; K388-R390 PolarHBondContact O-N 3.07Å; R390-L394 WeakPolarHBondContact O-CB 3.29Å; R390-L394 PolarHBondContact O-N 3.25Å
391I97.3Very high96.6Very high31 Ų3171.3 Ų71.316%0.15937%0.372CS..Hα-helixtrans-64.1-44175.1-74.8167.8000110.4R360 L361 L364 D387 K388 Q389 L394 K395R360-I391 HydrophobicContact CB-CD1 4Å; L361-I391 HydrophobicContact CB-CG1 4.1Å; L361-I391 HydrophobicContact CD1-CG1 3.95Å; L364-I391 HydrophobicContact CD1-CB 4.4Å; L364-I391 HydrophobicContact CD1-CG1 4.43Å; L364-I391 HydrophobicContact CD1-CG2 3.86Å; D387-I391 WeakPolarHBondContact O-CB 3.48Å; D387-I391 VanDerWaalsContact O-CG1 3.28Å; D387-I391 WeakPolarHBondContact O-CG1 3.27Å; D387-I391 PolarHBondContact O-N 3.48Å; K388-I391 PolarHBondContact O-N 2.91Å; Q389-I391 VanDerWaalsContact C-N 3.35Å; Q389-I391 PolarHBondContact O-N 2.88Å; I391-L394 PolarHBondContact O-N 3.03Å; I391-K395 WeakPolarHBondContact O-CG 3.47Å; I391-K395 PolarHBondContact O-N 2.99Å
392Q97Very high96.5Very high119 Ų11972 Ų7256%0.55639%0.386SS*.Hα-helixtrans-65.7-49.8178-172175.83.600112K388 Q389 L394 K395 N396K388-Q392 PolarHBondContact O-N 2.88Å; Q389-Q392 PolarHBondContact O-N 2.81Å; Q392-L394 VanDerWaalsContact C-N 3.26Å; Q392-L394 PolarHBondContact O-N 3.46Å; Q392-K395 WeakPolarHBondContact O-CB 3.43Å; Q392-K395 PolarHBondContact O-N 3.1Å; Q392-N396 PolarHBondContact O-N 3.2Å; Q392-N396 PolarHBondContact O-OD1 2.94Å; Q392-N396 VanDerWaalsContact O-OD1 3.05Å
393A97.4Very high96.4Very high26 Ų2668.7 Ų68.722%0.21536%0.359CS..Hα-helixtrans-56.2-40.1176.200000112.2Q389 Y397Q389-A393 WeakPolarHBondContact O-CB 3.49Å; Q389-A393 PolarHBondContact O-N 3.14Å; A393-Y397 WeakPolarHBondContact O-CB 3.41Å; A393-Y397 PolarHBondContact O-N 2.97Å
394L97.5Very high96.3Very high0 Ų066.1 Ų66.10%035%0.349CS..Hα-helixtrans-72.9-30.9175.8-174.253.1000113.1L361 L364 K365 Y377 M380 F381 R390 I391 Q392 Y397 L398L361-L394 HydrophobicContact CD1-CD2 4.03Å; L364-L394 HydrophobicContact CB-CD2 3.48Å; L364-L394 VanDerWaalsContact CB-CD2 3.48Å; L364-L394 HydrophobicContact CB-CG 3.93Å; K365-L394 HydrophobicContact CG-CD2 3.94Å; Y377-L394 HydrophobicContact CE1-CD1 4.26Å; Y377-L394 HydrophobicContact CE1-CD2 4.38Å; M380-L394 HydrophobicContact CE-CB 3.98Å; M380-L394 HydrophobicContact CE-CD1 3.71Å; M380-L394 HydrophobicContact CE-CG 4.32Å; M380-L394 HydrophobicContact SD-CD1 4.49Å; F381-L394 HydrophobicContact CE1-CB 4.41Å; F381-L394 HydrophobicContact CZ-CD2 4.45Å; R390-L394 WeakPolarHBondContact O-CB 3.29Å; R390-L394 PolarHBondContact O-N 3.25Å; I391-L394 PolarHBondContact O-N 3.03Å; Q392-L394 VanDerWaalsContact C-N 3.26Å; Q392-L394 PolarHBondContact O-N 3.46Å; L394-Y397 HydrophobicContact CD1-CD1 4.4Å; L394-L398 WeakPolarHBondContact O-CD1 3.36Å; L394-L398 WeakPolarHBondContact O-CG 3.37Å; L394-L398 PolarHBondContact O-N 3.26Å
395K96.8Very high96.2Very high99 Ų9968.4 Ų68.443%0.4338%0.375SS..Hα-helixtrans-65.5-52.7171-79.7-176.9173.4-169.20111.1L364 I391 Q392 Y397 L398 E399L364-K395 HydrophobicContact CD1-CG 4.25Å; L364-K395 HydrophobicContact CD2-CG 4.24Å; I391-K395 WeakPolarHBondContact O-CG 3.47Å; I391-K395 PolarHBondContact O-N 2.99Å; Q392-K395 WeakPolarHBondContact O-CB 3.43Å; Q392-K395 PolarHBondContact O-N 3.1Å; K395-Y397 VanDerWaalsContact C-N 3.29Å; K395-Y397 PolarHBondContact O-N 3.41Å; K395-L398 WeakPolarHBondContact O-CA 3.45Å; K395-L398 WeakPolarHBondContact O-CB 3.45Å; K395-L398 PolarHBondContact O-N 2.99Å; K395-E399 PolarHBondContact O-N 3.39Å
396N96.6Very high96.1Very high71 Ų7172.8 Ų72.838%0.3838%0.378SS..Hα-helixtrans-53.4-47.5178.4-64.216.1000110.8Q392 L398 E399 E400Q392-N396 PolarHBondContact O-N 3.2Å; Q392-N396 PolarHBondContact O-OD1 2.94Å; Q392-N396 VanDerWaalsContact O-OD1 3.05Å; N396-L398 VanDerWaalsContact C-N 3.29Å; N396-L398 PolarHBondContact O-N 3.28Å; N396-E399 PolarHBondContact O-N 3.39Å; N396-E399 VanDerWaalsContact O-N 3.12Å; N396-E400 WeakPolarHBondContact O-CG 3.42Å; N396-E400 PolarHBondContact O-N 3.03Å
397Y97.1Very high96.1Very high55 Ų5571.3 Ų71.322%0.21637%0.367CS..Hα-helixtrans-60-33.5176.3179.1-98.3000113.9L373 P375 M380 A393 L394 K395 N401L373-Y397 HydrophobicContact CB-CE1 4.25Å; L373-Y397 HydrophobicContact CD1-CE1 4.23Å; L373-Y397 HydrophobicContact CD2-CE1 4.26Å; L373-Y397 HydrophobicContact CG-CE1 4.5Å; P375-Y397 HydrophobicContact CB-CD1 4.16Å; P375-Y397 HydrophobicContact CB-CE1 3.63Å; P375-Y397 HydrophobicContact CB-CE2 4.38Å; P375-Y397 HydrophobicContact CG-CD1 4.14Å; P375-Y397 HydrophobicContact CG-CE1 3.67Å; M380-Y397 HydrophobicContact SD-CD1 4.46Å; M380-Y397 HydrophobicContact SD-CD2 4.48Å; M380-Y397 HydrophobicContact SD-CG 4.05Å; A393-Y397 WeakPolarHBondContact O-CB 3.41Å; A393-Y397 PolarHBondContact O-N 2.97Å; L394-Y397 HydrophobicContact CD1-CD1 4.4Å; K395-Y397 VanDerWaalsContact C-N 3.29Å; K395-Y397 PolarHBondContact O-N 3.41Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.28Å; Y397-N401 WeakPolarHBondContact O-CB 3.46Å; Y397-N401 PolarHBondContact O-N 3.42Å; Y397-N401 PolarHBondContact O-ND2 3.31Å
398L97.3Very high96.1Very high0 Ų071.8 Ų71.80%037%0.372CS..Hα-helixtrans-72.7-41175.2-67.5167.8000110.9L364 A368 L373 L394 K395 N396 N401 G402 L403 L407L364-L398 HydrophobicContact CD2-CD1 3.8Å; A368-L398 HydrophobicContact CB-CD2 3.99Å; L373-L398 HydrophobicContact CD1-CD2 3.69Å; L394-L398 WeakPolarHBondContact O-CD1 3.36Å; L394-L398 WeakPolarHBondContact O-CG 3.37Å; L394-L398 PolarHBondContact O-N 3.26Å; K395-L398 WeakPolarHBondContact O-CA 3.45Å; K395-L398 WeakPolarHBondContact O-CB 3.45Å; K395-L398 PolarHBondContact O-N 2.99Å; N396-L398 VanDerWaalsContact C-N 3.29Å; N396-L398 PolarHBondContact O-N 3.28Å; L398-N401 CarbonylContact O-C 3.57Å; L398-N401 WeakPolarHBondContact O-CA 3.32Å; L398-N401 PolarHBondContact O-N 3.39Å; L398-N401 VanDerWaalsContact O-N 3.1Å; L398-G402 PolarHBondContact O-N 2.96Å; L398-L403 HydrophobicContact CB-CB 4.09Å; L398-L403 HydrophobicContact CB-CD1 4.03Å; L398-L403 HydrophobicContact CD2-CD1 3.48Å; L398-L403 VanDerWaalsContact CD2-CD1 3.48Å; L398-L403 HydrophobicContact CG-CD1 4.27Å; L398-L403 WeakPolarHBondContact O-CB 3.33Å; L398-L403 PolarHBondContact O-N 3.44Å; L398-L407 HydrophobicContact CD1-CD1 4.17Å
399E96.6Very high96.1Very high100 Ų10066.4 Ų66.447%0.46735%0.351SS..Hα-helixtrans-64-46.9177.6-70.4169.6-157.800111.9K395 N396 N401 G402K395-E399 PolarHBondContact O-N 3.39Å; N396-E399 PolarHBondContact O-N 3.39Å; N396-E399 VanDerWaalsContact O-N 3.12Å; E399-N401 PolarHBondContact O-N 3.38Å; E399-N401 VanDerWaalsContact O-N 3.1Å; E399-G402 PolarHBondContact O-N 2.89Å
400E96.1Very high96Very high146 Ų14667.3 Ų67.368%0.68236%0.355SS*.Hα-helixtrans-52.1-30.9169.3-73.2164.8-159.800112.7N396N396-E400 WeakPolarHBondContact O-CG 3.42Å; N396-E400 PolarHBondContact O-N 3.03Å
401N95.5Very high96Very high36 Ų3665.9 Ų65.919%0.19335%0.353CS..THydrogen-bonded Turntrans-92.28.3-179.6-85.3-85.2000114L373 Y397 L398 E399 R419L373-N401 HydrophobicContact CD1-CB 3.84Å; L373-N401 HydrophobicContact CD2-CB 3.98Å; L373-N401 WeakPolarHBondContact CD2-OD1 3.34Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.28Å; Y397-N401 WeakPolarHBondContact O-CB 3.46Å; Y397-N401 PolarHBondContact O-N 3.42Å; Y397-N401 PolarHBondContact O-ND2 3.31Å; L398-N401 CarbonylContact O-C 3.57Å; L398-N401 WeakPolarHBondContact O-CA 3.32Å; L398-N401 PolarHBondContact O-N 3.39Å; L398-N401 VanDerWaalsContact O-N 3.1Å; E399-N401 PolarHBondContact O-N 3.38Å; E399-N401 VanDerWaalsContact O-N 3.1Å; N401-R419 VanDerWaalsContact CB-NH2 3.28Å; N401-R419 PolarHBondContact O-NH2 3.09Å; N401-R419 PolarHBondContact OD1-NH1 2.85Å; N401-R419 PolarHBondContact OD1-NH2 3.14Å
402G94.4Very high96Very high41 Ų4164.4 Ų64.442%0.42335%0.346SS..THydrogen-bonded Turntrans90.48.717500000115.4L398 E399 T404 I415L398-G402 PolarHBondContact O-N 2.96Å; E399-G402 PolarHBondContact O-N 2.89Å; G402-T404 VanDerWaalsContact C-N 3.29Å; G402-T404 PolarHBondContact O-N 3.43Å; G402-I415 WeakPolarHBondContact O-CD1 3.3Å
403L95.1Very high96Very high1 Ų163.7 Ų63.71%0.00534%0.341CS..  trans-8963174-70.5162.2000110.9A371 L373 L398 L407 L411 I415A371-L403 HydrophobicContact CB-CD1 3.91Å; L373-L403 HydrophobicContact CD1-CD1 4.13Å; L398-L403 HydrophobicContact CB-CB 4.09Å; L398-L403 HydrophobicContact CB-CD1 4.03Å; L398-L403 HydrophobicContact CD2-CD1 3.48Å; L398-L403 VanDerWaalsContact CD2-CD1 3.48Å; L398-L403 HydrophobicContact CG-CD1 4.27Å; L398-L403 WeakPolarHBondContact O-CB 3.33Å; L398-L403 PolarHBondContact O-N 3.44Å; L403-L407 HydrophobicContact CB-CD2 3.78Å; L403-L411 HydrophobicContact CD2-CB 4.48Å; L403-L411 HydrophobicContact CD2-CD2 3.93Å; L403-L411 HydrophobicContact CD2-CG 3.91Å; L403-I415 HydrophobicContact CD2-CD1 3.59Å; L403-I415 HydrophobicContact CG-CD1 3.8Å
404T93.4Very high96Very high99 Ų9968.9 Ų68.961%0.60736%0.359SS*.  trans-80.8148.317853.50000112.1G402G402-T404 VanDerWaalsContact C-N 3.29Å; G402-T404 PolarHBondContact O-N 3.43Å
405G92.7Very high96Very high64 Ų6470 Ų7066%0.6636%0.364SS*.SBendtrans78.9-148.5176.600000114.8L407G405-L407 PolarHBondContact O-N 3.3Å
406K94.2Very high96Very high180 Ų18066.7 Ų66.778%0.78336%0.356SS*.SBendtrans-68.9103.2-174.3-168.5168.8-175.7168.90111.1T408K406-T408 HydrophobicContact CG-CG2 4.43Å; K406-T408 PolarHBondContact O-N 3.32Å
407L94.8Very high96Very high37 Ų3770.4 Ų70.419%0.19437%0.368CS..  trans-59.8102.4178.9-66.1174.7000111.6L364 Y367 L398 L403 G405L364-L407 HydrophobicContact CD2-CD1 3.52Å; Y367-L407 HydrophobicContact CD2-CB 4.23Å; Y367-L407 HydrophobicContact CE2-CB 4.16Å; Y367-L407 PolarHBondContact OH-O 3.05Å; L398-L407 HydrophobicContact CD1-CD1 4.17Å; L403-L407 HydrophobicContact CB-CD2 3.78Å; G405-L407 PolarHBondContact O-N 3.3Å
408T96.6Very high96Very high61 Ų6174.2 Ų74.237%0.37439%0.386SS..  trans-117.7152.2177.155.50000111.1K406 E410 L411 C412K406-T408 HydrophobicContact CG-CG2 4.43Å; K406-T408 PolarHBondContact O-N 3.32Å; T408-E410 PolarHBondContact O-N 3.23Å; T408-L411 PolarHBondContact O-N 2.89Å; T408-L411 WeakPolarHBondContact OG1-CB 3.29Å; T408-L411 PolarHBondContact OG1-N 3.33Å; T408-C412 PolarHBondContact O-N 3.5Å; T408-C412 PolarHBondContact O-SG 2.98Å
409L95.9Very high96Very high66 Ų6678 Ų7835%0.34640%0.401SS..Hα-helixtrans-61.4-32.5177-71.4174.5000112Y367 T370 C412 K413Y367-L409 HydrophobicContact CD1-CD2 3.81Å; Y367-L409 HydrophobicContact CD1-CG 4.45Å; Y367-L409 HydrophobicContact CE1-CD2 3.73Å; Y367-L409 HydrophobicContact CE1-CG 3.93Å; T370-L409 HydrophobicContact CG2-CD2 4.25Å; L409-C412 PolarHBondContact O-N 2.82Å; L409-K413 WeakPolarHBondContact O-CG 3.42Å; L409-K413 PolarHBondContact O-N 3.26Å
410E96.6Very high95.9Very high102 Ų10275.3 Ų75.348%0.47740%0.395SS..Hα-helixtrans-68.8-38.8177-62.2-46.8121.800112.8T408 C412 K413 K414T408-E410 PolarHBondContact O-N 3.23Å; E410-C412 VanDerWaalsContact C-N 3.34Å; E410-K413 PolarHBondContact O-N 3.33Å; E410-K413 IonicContact OE1-NZ 3.62Å; E410-K413 PolarHBondContact OE1-NZ 3.38Å; E410-K413 IonicContact OE2-NZ 2.8Å; E410-K414 VanDerWaalsContact O-CG 3.31Å; E410-K414 WeakPolarHBondContact O-CG 3.47Å; E410-K414 PolarHBondContact O-N 3.36Å
411L96.7Very high95.9Very high49 Ų4973.1 Ų73.126%0.25739%0.387SS..Hα-helixtrans-61.7-44.4173.1-172.169.1000110.9L403 T408 K413 K414 I415L403-L411 HydrophobicContact CD2-CB 4.48Å; L403-L411 HydrophobicContact CD2-CD2 3.93Å; L403-L411 HydrophobicContact CD2-CG 3.91Å; T408-L411 PolarHBondContact O-N 2.89Å; T408-L411 WeakPolarHBondContact OG1-CB 3.29Å; T408-L411 PolarHBondContact OG1-N 3.33Å; L411-K413 PolarHBondContact O-N 3.43Å; L411-K414 PolarHBondContact O-N 3.03Å; L411-I415 PolarHBondContact O-N 3.15Å
412C97.5Very high96Very high0 Ų076.3 Ų76.30%040%0.401CS..Hα-helixtrans-59.4-46.7176.6-59.40000111.9T370 A371 T408 L409 E410 K414 I415 A416T370-C412 WeakPolarHBondContact OG1-CB 3.47Å; A371-C412 HydrophobicContact CB-CB 4.1Å; T408-C412 PolarHBondContact O-N 3.5Å; T408-C412 PolarHBondContact O-SG 2.98Å; L409-C412 PolarHBondContact O-N 2.82Å; E410-C412 VanDerWaalsContact C-N 3.34Å; C412-K414 PolarHBondContact O-N 3.39Å; C412-I415 PolarHBondContact O-N 3.31Å; C412-A416 WeakPolarHBondContact O-CB 3.48Å; C412-A416 PolarHBondContact O-N 2.89Å
413K97.6Very high96Very high104 Ų10479.6 Ų79.645%0.45240%0.403SS..Hα-helixtrans-60.2-41.4175.2-71168.5-175.6172.70112.4L409 E410 L411 A416 K417L409-K413 WeakPolarHBondContact O-CG 3.42Å; L409-K413 PolarHBondContact O-N 3.26Å; E410-K413 PolarHBondContact O-N 3.33Å; E410-K413 IonicContact OE1-NZ 3.62Å; E410-K413 PolarHBondContact OE1-NZ 3.38Å; E410-K413 IonicContact OE2-NZ 2.8Å; L411-K413 PolarHBondContact O-N 3.43Å; K413-A416 PolarHBondContact O-N 3.09Å; K413-K417 WeakPolarHBondContact O-CG 3.34Å; K413-K417 PolarHBondContact O-N 3.37Å
414K96.9Very high96Very high136 Ų13685.1 Ų85.159%0.59143%0.429SS*.Hα-helixtrans-62.1-44.3177.7-74.6172.7-178.2-178.40111.2E410 L411 C412 K417 K418E410-K414 VanDerWaalsContact O-CG 3.31Å; E410-K414 WeakPolarHBondContact O-CG 3.47Å; E410-K414 PolarHBondContact O-N 3.36Å; L411-K414 PolarHBondContact O-N 3.03Å; C412-K414 PolarHBondContact O-N 3.39Å; K414-K417 PolarHBondContact O-N 3.27Å; K414-K418 PolarHBondContact O-N 3.42Å
415I96.7Very high96Very high22 Ų2285 Ų8511%0.11343%0.428CS..Hα-helixtrans-68.8-39.7177.6-66.9-176.6000111.8G402 L403 L411 C412 K417 K418 R419G402-I415 WeakPolarHBondContact O-CD1 3.3Å; L403-I415 HydrophobicContact CD2-CD1 3.59Å; L403-I415 HydrophobicContact CG-CD1 3.8Å; L411-I415 PolarHBondContact O-N 3.15Å; C412-I415 PolarHBondContact O-N 3.31Å; I415-K417 VanDerWaalsContact C-N 3.29Å; I415-K417 PolarHBondContact O-N 2.95Å; I415-K418 PolarHBondContact O-N 2.98Å; I415-R419 HydrophobicContact CG2-CG 4.29Å; I415-R419 WeakPolarHBondContact O-CG 3.49Å; I415-R419 PolarHBondContact O-N 2.75Å
416A97.4Very high96.1Very high30 Ų3091.1 Ų91.125%0.24843%0.431CS..Hα-helixtrans-58.3-41.4173.900000112C412 K413 A420C412-A416 WeakPolarHBondContact O-CB 3.48Å; C412-A416 PolarHBondContact O-N 2.89Å; K413-A416 PolarHBondContact O-N 3.09Å; A416-A420 WeakPolarHBondContact O-CB 3.32Å; A416-A420 PolarHBondContact O-N 3.4Å
417K97.6Very high96Very high149 Ų14988.3 Ų88.365%0.64842%0.421SS*.Hα-helixtrans-64.2-47.2173.6-72.7179.1178.5-1730112.4K413 K414 I415 R419 A420 I421K413-K417 WeakPolarHBondContact O-CG 3.34Å; K413-K417 PolarHBondContact O-N 3.37Å; K414-K417 PolarHBondContact O-N 3.27Å; I415-K417 VanDerWaalsContact C-N 3.29Å; I415-K417 PolarHBondContact O-N 2.95Å; K417-R419 PolarHBondContact O-N 3.45Å; K417-A420 WeakPolarHBondContact O-CB 3.15Å; K417-A420 PolarHBondContact O-N 3.16Å; K417-I421 WeakPolarHBondContact O-CG1 3.42Å; K417-I421 PolarHBondContact O-N 3.35Å
418K97Very high95.9Very high135 Ų13592.2 Ų92.259%0.58744%0.441SS*.Hα-helixtrans-56.1-49.3176.6-75.3-172.7173.9-168.80111.7K414 I415 A420 I421 E422K414-K418 PolarHBondContact O-N 3.42Å; I415-K418 PolarHBondContact O-N 2.98Å; K418-A420 VanDerWaalsContact C-N 3.31Å; K418-A420 PolarHBondContact O-N 2.99Å; K418-I421 PolarHBondContact O-N 3.35Å; K418-I421 VanDerWaalsContact O-N 3.16Å; K418-E422 WeakPolarHBondContact O-CG 3.34Å; K418-E422 PolarHBondContact O-N 2.92Å
419R96.1Very high95.6Very high81 Ų8193.4 Ų93.431%0.30645%0.445SS..Hα-helixtrans-63.2-33.3178-69.8173.6177.5-126.5-1.3113.4N401 I415 K417 K423N401-R419 VanDerWaalsContact CB-NH2 3.28Å; N401-R419 PolarHBondContact O-NH2 3.09Å; N401-R419 PolarHBondContact OD1-NH1 2.85Å; N401-R419 PolarHBondContact OD1-NH2 3.14Å; I415-R419 HydrophobicContact CG2-CG 4.29Å; I415-R419 WeakPolarHBondContact O-CG 3.49Å; I415-R419 PolarHBondContact O-N 2.75Å; K417-R419 PolarHBondContact O-N 3.45Å; R419-K423 WeakPolarHBondContact O-CB 3.36Å; R419-K423 PolarHBondContact O-N 3.4Å
420A96Very high95.2Very high43 Ų4393.9 Ų93.936%0.35546%0.459SS..Hα-helixtrans-65.7-47.2172.900000111.1A416 K417 K418 K423 E424A416-A420 WeakPolarHBondContact O-CB 3.32Å; A416-A420 PolarHBondContact O-N 3.4Å; K417-A420 WeakPolarHBondContact O-CB 3.15Å; K417-A420 PolarHBondContact O-N 3.16Å; K418-A420 VanDerWaalsContact C-N 3.31Å; K418-A420 PolarHBondContact O-N 2.99Å; A420-K423 WeakPolarHBondContact O-CB 3.25Å; A420-K423 PolarHBondContact O-N 3.42Å; A420-E424 WeakPolarHBondContact O-CG 3.38Å; A420-E424 PolarHBondContact O-N 3.4Å
421I96.3Very high94.8Very high99 Ų9993.1 Ų93.151%0.50847%0.47SS..Hα-helixtrans-62.2-47.2176.6-63.5161.9000111K417 K418 K423 E424 V425K417-I421 WeakPolarHBondContact O-CG1 3.42Å; K417-I421 PolarHBondContact O-N 3.35Å; K418-I421 PolarHBondContact O-N 3.35Å; K418-I421 VanDerWaalsContact O-N 3.16Å; I421-K423 PolarHBondContact O-N 3.33Å; I421-E424 PolarHBondContact O-N 3.17Å; I421-V425 HydrophobicContact CG2-CG2 4.34Å; I421-V425 WeakPolarHBondContact O-CB 3.34Å; I421-V425 VanDerWaalsContact O-CG2 3.3Å; I421-V425 WeakPolarHBondContact O-CG2 3.34Å; I421-V425 PolarHBondContact O-N 3.32Å
422E95.5Very high94.2Very high103 Ų10396.9 Ų96.948%0.48149%0.49SS..Hα-helixtrans-60.3-32.8175.6-71.9161.7-152.400112.6K418 R426K418-E422 WeakPolarHBondContact O-CG 3.34Å; K418-E422 PolarHBondContact O-N 2.92Å; E422-R426 WeakPolarHBondContact O-CB 3.31Å; E422-R426 PolarHBondContact O-N 3.24Å; E422-R426 VanDerWaalsContact O-N 3.11Å
423K95.2Very high93.5Very high111 Ų111101.9 Ų101.948%0.48352%0.516SS..Hα-helixtrans-71.9-46.8174.8-173.6-167.9168.2-153.80110.8R419 A420 I421 R426 E427R419-K423 WeakPolarHBondContact O-CB 3.36Å; R419-K423 PolarHBondContact O-N 3.4Å; A420-K423 WeakPolarHBondContact O-CB 3.25Å; A420-K423 PolarHBondContact O-N 3.42Å; I421-K423 PolarHBondContact O-N 3.33Å; K423-R426 PolarHBondContact O-N 3.3Å; K423-R426 VanDerWaalsContact O-N 3.16Å; K423-E427 WeakPolarHBondContact CE-OE1 3.31Å; K423-E427 WeakPolarHBondContact CE-OE2 3.46Å; K423-E427 IonicContact NZ-OE1 2.75Å; K423-E427 PolarHBondContact NZ-OE1 3.4Å; K423-E427 VanDerWaalsContact NZ-OE1 3.17Å; K423-E427 IonicContact NZ-OE2 3.62Å; K423-E427 WeakPolarHBondContact O-CG 3.35Å; K423-E427 PolarHBondContact O-N 3.44Å
424E94.6Very high92.9Very high117 Ų117104.2 Ų104.255%0.54753%0.531SS..Hα-helixtrans-57.5-48.2174.8-73.4166.4-163.500110.6A420 I421 R426 E427 L428A420-E424 WeakPolarHBondContact O-CG 3.38Å; A420-E424 PolarHBondContact O-N 3.4Å; I421-E424 PolarHBondContact O-N 3.17Å; E424-R426 VanDerWaalsContact C-N 3.28Å; E424-R426 PolarHBondContact O-N 3.33Å; E424-E427 CarbonylContact O-C 3.53Å; E424-E427 PolarHBondContact O-N 3.18Å; E424-L428 WeakPolarHBondContact O-CG 3.31Å; E424-L428 PolarHBondContact O-N 3.47Å
425V94.9Very high92.3Very high95 Ų95102 Ų10258%0.57653%0.531SS*.Hα-helixtrans-59.5-34.2175.6171.80000112.7I421I421-V425 HydrophobicContact CG2-CG2 4.34Å; I421-V425 WeakPolarHBondContact O-CB 3.34Å; I421-V425 VanDerWaalsContact O-CG2 3.3Å; I421-V425 WeakPolarHBondContact O-CG2 3.34Å; I421-V425 PolarHBondContact O-N 3.32Å
426R93.8Very high91.4Very high194 Ų194110 Ų11073%0.73257%0.568SS**Hα-helixtrans-76.7-27.7174.9-172.5-177.3-70.2104.8-5.2113.1E422 K423 E424E422-R426 WeakPolarHBondContact O-CB 3.31Å; E422-R426 PolarHBondContact O-N 3.24Å; E422-R426 VanDerWaalsContact O-N 3.11Å; K423-R426 PolarHBondContact O-N 3.3Å; K423-R426 VanDerWaalsContact O-N 3.16Å; E424-R426 VanDerWaalsContact C-N 3.28Å; E424-R426 PolarHBondContact O-N 3.33Å
427E93.1Very high90.4Very high120 Ų120117.5 Ų117.556%0.56160%0.595SS**Hα-helixtrans-85.3-18.7176.3-71.9-179.8164.600112.5K423 E424 D429K423-E427 WeakPolarHBondContact CE-OE1 3.31Å; K423-E427 WeakPolarHBondContact CE-OE2 3.46Å; K423-E427 IonicContact NZ-OE1 2.75Å; K423-E427 PolarHBondContact NZ-OE1 3.4Å; K423-E427 VanDerWaalsContact NZ-OE1 3.17Å; K423-E427 IonicContact NZ-OE2 3.62Å; K423-E427 WeakPolarHBondContact O-CG 3.35Å; K423-E427 PolarHBondContact O-N 3.44Å; E424-E427 CarbonylContact O-C 3.53Å; E424-E427 PolarHBondContact O-N 3.18Å; E427-D429 PolarHBondContact O-N 3.21Å; E427-D429 VanDerWaalsContact O-N 3.08Å
428L91.3Very high88.7Confident119 Ų119120.7 Ų120.762%0.62360%0.603SS**  trans-71.195171-76173.8000111E424 A430E424-L428 WeakPolarHBondContact O-CG 3.31Å; E424-L428 PolarHBondContact O-N 3.47Å; L428-A430 PolarHBondContact O-N 3.48Å
429D90.5Very high87Confident87 Ų87126.1 Ų126.147%0.46562%0.62SS.*  trans-67.3116.8168.1177.76.4000110.6E427 A431 N432E427-D429 PolarHBondContact O-N 3.21Å; E427-D429 VanDerWaalsContact O-N 3.08Å; D429-A431 PolarHBondContact O-N 3.07Å; D429-A431 WeakPolarHBondContact OD1-CB 3.4Å; D429-A431 PolarHBondContact OD1-N 3.44Å; D429-N432 WeakPolarHBondContact CB-ND2 3.29Å; D429-N432 PolarHBondContact O-N 3.16Å; D429-N432 PolarHBondContact OD2-ND2 2.94Å; D429-N432 VanDerWaalsContact OD2-ND2 3.13Å
430A87Confident85.2Confident76 Ų76126.8 Ų126.863%0.62863%0.633SS**G310 helixtrans-59.4-25.1178.800000113.1L428 N432 I433L428-A430 PolarHBondContact O-N 3.48Å; A430-N432 VanDerWaalsContact C-N 3.26Å; A430-N432 PolarHBondContact O-N 3Å; A430-I433 HydrophobicContact CB-CD1 4.43Å; A430-I433 PolarHBondContact O-N 3.17Å
431A88.6Confident83.7Confident85 Ų85136.6 Ų136.670%0.70266%0.661SS**G310 helixtrans-69.7-22.1174.900000113.2D429D429-A431 PolarHBondContact O-N 3.07Å; D429-A431 WeakPolarHBondContact OD1-CB 3.4Å; D429-A431 PolarHBondContact OD1-N 3.44Å
432N84Confident82Confident128 Ų128136.2 Ų136.268%0.68467%0.673SS**G310 helixtrans-89.3-5.8175.5-68.1-48.7000113.2D429 A430 I434D429-N432 WeakPolarHBondContact CB-ND2 3.29Å; D429-N432 PolarHBondContact O-N 3.16Å; D429-N432 PolarHBondContact OD2-ND2 2.94Å; D429-N432 VanDerWaalsContact OD2-ND2 3.13Å; A430-N432 VanDerWaalsContact C-N 3.26Å; A430-N432 PolarHBondContact O-N 3Å; N432-I434 PolarHBondContact O-N 3.17Å
433I83.9Confident80.1Confident106 Ų106134.3 Ų134.354%0.54468%0.68SS.*SBendtrans-73.3111.9174.6-59.2177.5000107.8A430 P435A430-I433 HydrophobicContact CB-CD1 4.43Å; A430-I433 PolarHBondContact O-N 3.17Å; I433-P435 WeakPolarHBondContact O-CD 3.49Å; I433-P435 VanDerWaalsContact O-N 3.14Å
434I83.8Confident78.2Confident152 Ų152135.3 Ų135.378%0.77970%0.696SS**  trans-58.9118.6169.3-58.3174.1000106.6N432 E436N432-I434 PolarHBondContact O-N 3.17Å; I434-E436 PolarHBondContact O-N 3.35Å
435P84.1Confident76.6Confident89 Ų89135.2 Ų135.258%0.57870%0.704SS**  trans-62.3139-17724.2-33.4000110.1I433 K437I433-P435 WeakPolarHBondContact O-CD 3.49Å; I433-P435 VanDerWaalsContact O-N 3.14Å; P435-K437 PolarHBondContact O-N 3.4Å
436E79.1Confident74.6Confident191 Ų191136.1 Ų136.189%0.89371%0.714SS**SBendtrans-60.111.6178.4-162.166.3-130.300113.9I434 R438I434-E436 PolarHBondContact O-N 3.35Å; E436-R438 PolarHBondContact O-N 3.05Å
437K77Confident72.9Confident188 Ų188136.1 Ų136.182%0.81772%0.722SS**SBendtrans-66.381.4169.1-74.9-172.6175.7-178.60109.6P435 R439P435-K437 PolarHBondContact O-N 3.4Å; K437-R439 PolarHBondContact O-N 2.99Å
438R61.4Low71.1Confident216 Ų216134.7 Ų134.782%0.81573%0.731SS**  trans2.390.7163.2-68.9-179175.3-179.7-1.7113.2E436 T440E436-R438 PolarHBondContact O-N 3.05Å; R438-T440 HydrophobicContact CB-CG2 4.45Å; R438-T440 PolarHBondContact O-N 3.37Å; R438-T440 PolarHBondContact O-OG1 3.05Å
439R59.9Low69.7Low248 Ų248133.9 Ų133.994%0.93673%0.733SS**  trans-74.866154.9-152.7172.3-167.6162.23.5107.7K437 R441K437-R439 PolarHBondContact O-N 2.99Å; R439-R441 PolarHBondContact O-N 3.28Å
440T60.2Low68.1Low95 Ų95139.7 Ų139.758%0.58376%0.757SS**  trans-51.8127.8171.817.70000107.7R438 A442 G443R438-T440 HydrophobicContact CB-CG2 4.45Å; R438-T440 PolarHBondContact O-N 3.37Å; R438-T440 PolarHBondContact O-OG1 3.05Å; T440-A442 PolarHBondContact O-N 2.87Å; T440-G443 PolarHBondContact O-N 2.98Å
441R62.7Low66.8Low249 Ų249146 Ų14694%0.9477%0.765SS**THydrogen-bonded Turntrans-63.73.5-172.1-156.7178.2179.5-150.30.6114.4R439R439-R441 PolarHBondContact O-N 3.28Å
442A61.3Low65.8Low92 Ų92146.6 Ų146.676%0.7676%0.764SS**THydrogen-bonded Turntrans-87.1-7.7178.200000114.3T440T440-A442 PolarHBondContact O-N 2.87Å
443G56.1Low64.8Low62 Ų62147 Ų14764%0.63977%0.774SS**  trans-96.117.8-173.800000116.6T440 T445T440-G443 PolarHBondContact O-N 2.98Å; G443-T445 PolarHBondContact O-N 3.45Å; G443-T445 VanDerWaalsContact O-N 3.15Å
444T56Low63.8Low133 Ų133147.8 Ų147.882%0.81678%0.778SS**  trans-89.853.5179.6-440000111.7
445T59.3Low62.7Low115 Ų115145.1 Ų145.171%0.70677%0.77SS**  trans-144.5134.1174.5-32.40000106.8G443G443-T445 PolarHBondContact O-N 3.45Å; G443-T445 VanDerWaalsContact O-N 3.15Å
446S53.4Low61.6Low113 Ų113146.6 Ų146.679%0.7978%0.783SS**SBendtrans86.4133.4-165.2-40.20000114.4
447Q58.8Low60.7Low195 Ų195143.3 Ų143.391%0.91178%0.776SS**  trans68.843.7-179.2-49.2-161.37.300116.1
448A55Low59.9Low90 Ų90137.6 Ų137.674%0.74476%0.764SS**  trans-65.6133.1136.600000107.8
449P62.5Low59.8Low102 Ų102132.8 Ų132.866%0.66276%0.763SS**  trans-61.9148.2168.828.5-34.2000108.9R451P449-R451 PolarHBondContact O-N 3.31Å
450E56.5Low60Low209 Ų209126.9 Ų126.998%0.97774%0.744SS**  trans-53.197.4176.4-73.8-174.8124.800110.4
451R59.7Low60.4Low207 Ų207126.4 Ų126.478%0.78174%0.742SS**  trans-86.4129166-75.6-173.6171.1-164.9-3.6106.6P449P449-R451 PolarHBondContact O-N 3.31Å
452S66.6Low60.7Low98 Ų98124 Ų12469%0.68573%0.732SS**  trans-44.4153173.541.80000112.3I454S452-I454 PolarHBondContact O-N 3.46Å
453P63.3Low60.9Low137 Ų137126.1 Ų126.189%0.8973%0.728SS**  trans-54.4102.8-173.6-26.234.8000112.6
454I62.5Low61.3Low122 Ų122128.1 Ų128.163%0.62672%0.721SS**  trans-76.7126.6172.3-57.6179000106.4S452S452-I454 PolarHBondContact O-N 3.46Å
455P61.5Low61.8Low96 Ų96130.8 Ų130.862%0.62372%0.716SS**  trans-60145.6-176.322.2-32.8000112.4T457P455-T457 PolarHBondContact O-N 3.03Å
456S61Low62.3Low120 Ų120128.7 Ų128.784%0.83970%0.703SS**THydrogen-bonded Turntrans-72.942.3-165.3-173.40000115.5
457T60.1Low62.8Low122 Ų122126.4 Ų126.475%0.74870%0.697SS**THydrogen-bonded Turntrans-126.67.8-172.657.20000114.5P455P455-T457 PolarHBondContact O-N 3.03Å
458A59.8Low63Low69 Ų69123.8 Ų123.857%0.5769%0.689SS**  trans-106.18-170.500000115.8K460A458-K460 PolarHBondContact O-N 2.89Å
459S60.1Low63.3Low114 Ų114126.7 Ų126.780%0.79769%0.687SS**  trans-76.631-179.440.60000114.7T461S459-T461 PolarHBondContact O-N 2.72Å
460K63Low63.5Low124 Ų124127 Ų12754%0.53969%0.691SS.*  trans-69.9119.2169.2-66.9-156.9166.9-1390109.7A458 E464A458-K460 PolarHBondContact O-N 2.89Å; K460-E464 WeakPolarHBondContact CA-OE2 3.28Å; K460-E464 WeakPolarHBondContact CB-OE2 3.15Å; K460-E464 WeakPolarHBondContact CD-OE1 3.44Å; K460-E464 WeakPolarHBondContact CD-OE2 3.3Å; K460-E464 VanDerWaalsContact CE-OE1 3.26Å; K460-E464 WeakPolarHBondContact CE-OE1 3.41Å; K460-E464 WeakPolarHBondContact CG-OE2 3.41Å; K460-E464 IonicContact NZ-OE1 2.65Å; K460-E464 PolarHBondContact NZ-OE1 3.27Å
461T69Low63.8Low86 Ų86122.5 Ų122.553%0.52867%0.674SS.*  trans-62157.1-176.657.50000110.9S459 M463 E464 R465S459-T461 PolarHBondContact O-N 2.72Å; T461-M463 PolarHBondContact O-N 3.45Å; T461-E464 WeakPolarHBondContact O-CB 3.49Å; T461-E464 PolarHBondContact O-N 3.4Å; T461-E464 PolarHBondContact OG1-N 3.36Å; T461-R465 PolarHBondContact O-N 3.43Å
462W69Low64Low198 Ų198120 Ų12075%0.7568%0.675SS**Hα-helixtrans-56.7-35.5176.5164.750.5000112E464 R465 V466W462-E464 PolarHBondContact O-N 3.36Å; W462-R465 WeakPolarHBondContact O-CB 3.36Å; W462-R465 PolarHBondContact O-N 2.93Å; W462-R465 VanDerWaalsContact O-N 3.07Å; W462-V466 PolarHBondContact O-N 2.96Å; W462-V466 VanDerWaalsContact O-N 3.11Å
463M64.7Low63.9Low136 Ų136125 Ų12567%0.6769%0.685SS**Hα-helixtrans-57-46.3173.2-69.6174172.700112.4T461 R465 V466T461-M463 PolarHBondContact O-N 3.45Å; M463-R465 PolarHBondContact O-N 3.39Å; M463-V466 VanDerWaalsContact O-CG2 3.28Å; M463-V466 WeakPolarHBondContact O-CG2 3.31Å; M463-V466 PolarHBondContact O-N 3.14Å
464E66.5Low63.9Low105 Ų105123.9 Ų123.949%0.49168%0.68SS.*Hα-helixtrans-65.7-23.3176.7-155.4-172.6165.900112.8K460 T461 W462K460-E464 WeakPolarHBondContact CA-OE2 3.28Å; K460-E464 WeakPolarHBondContact CB-OE2 3.15Å; K460-E464 WeakPolarHBondContact CD-OE1 3.44Å; K460-E464 WeakPolarHBondContact CD-OE2 3.3Å; K460-E464 VanDerWaalsContact CE-OE1 3.26Å; K460-E464 WeakPolarHBondContact CE-OE1 3.41Å; K460-E464 WeakPolarHBondContact CG-OE2 3.41Å; K460-E464 IonicContact NZ-OE1 2.65Å; K460-E464 PolarHBondContact NZ-OE1 3.27Å; T461-E464 WeakPolarHBondContact O-CB 3.49Å; T461-E464 PolarHBondContact O-N 3.4Å; T461-E464 PolarHBondContact OG1-N 3.36Å; W462-E464 PolarHBondContact O-N 3.36Å
465R64.7Low64Low189 Ų189125.8 Ų125.871%0.71369%0.692SS**Hα-helixtrans-86.1-21177.6-164.1176.4-61.21655.5114T461 W462 M463T461-R465 PolarHBondContact O-N 3.43Å; W462-R465 WeakPolarHBondContact O-CB 3.36Å; W462-R465 PolarHBondContact O-N 2.93Å; W462-R465 VanDerWaalsContact O-N 3.07Å; M463-R465 PolarHBondContact O-N 3.39Å
466V70.2Confident64.2Low70 Ų70126.9 Ų126.942%0.42470%0.702SS.*THydrogen-bonded Turntrans-91.60.5175.6-67.10000113.6W462 M463 L468W462-V466 PolarHBondContact O-N 2.96Å; W462-V466 VanDerWaalsContact O-N 3.11Å; M463-V466 VanDerWaalsContact O-CG2 3.28Å; M463-V466 WeakPolarHBondContact O-CG2 3.31Å; M463-V466 PolarHBondContact O-N 3.14Å; V466-L468 HydrophobicContact CG2-CB 4.37Å; V466-L468 HydrophobicContact CG2-CD1 3.96Å; V466-L468 HydrophobicContact CG2-CG 4.38Å; V466-L468 PolarHBondContact O-N 3.42Å; V466-L468 VanDerWaalsContact O-N 3.11Å
467G63.4Low64.5Low65 Ų65132.9 Ų132.967%0.6773%0.725SS**THydrogen-bonded Turntrans65.115.4172.200000114.8Q469G467-Q469 PolarHBondContact O-N 3.01Å; G467-Q469 VanDerWaalsContact O-N 3.13Å
468L64.6Low64.7Low141 Ų141133.5 Ų133.574%0.73872%0.723SS**  trans-78.894.4174.9-80.2162.7000108.6V466 S470V466-L468 HydrophobicContact CG2-CB 4.37Å; V466-L468 HydrophobicContact CG2-CD1 3.96Å; V466-L468 HydrophobicContact CG2-CG 4.38Å; V466-L468 PolarHBondContact O-N 3.42Å; V466-L468 VanDerWaalsContact O-N 3.11Å; L468-S470 PolarHBondContact O-N 3.22Å
469Q61.4Low64.9Low151 Ų151136.8 Ų136.871%0.70673%0.731SS**  trans-53.9127.6164-83.3-179.5-96.700109.3G467 D471G467-Q469 PolarHBondContact O-N 3.01Å; G467-Q469 VanDerWaalsContact O-N 3.13Å; Q469-D471 HydrophobicContact CB-CB 4.49Å; Q469-D471 PolarHBondContact NE2-OD2 2.94Å; Q469-D471 PolarHBondContact O-N 3.2Å; Q469-D471 VanDerWaalsContact O-N 3.17Å
470S65Low65.2Low107 Ų107138.1 Ų138.175%0.74873%0.728SS**SBendtrans-75.610.7176.840.50000113.6L468 L472L468-S470 PolarHBondContact O-N 3.22Å; S470-L472 VanDerWaalsContact C-N 3.27Å; S470-L472 PolarHBondContact O-N 3.33Å
471D63.8Low65.3Low115 Ų115138.9 Ų138.962%0.61574%0.739SS**THydrogen-bonded Turntrans-9122.1-164.6-49-30.2000113Q469Q469-D471 HydrophobicContact CB-CB 4.49Å; Q469-D471 PolarHBondContact NE2-OD2 2.94Å; Q469-D471 PolarHBondContact O-N 3.2Å; Q469-D471 VanDerWaalsContact O-N 3.17Å
472L62.9Low65.1Low154 Ų154142.3 Ų142.381%0.80675%0.752SS**THydrogen-bonded Turntrans-119.210.5-172.3-103164.2000114.5S470S470-L472 VanDerWaalsContact C-N 3.27Å; S470-L472 PolarHBondContact O-N 3.33Å
473F65.3Low64.9Low204 Ų204138.5 Ų138.590%0.89575%0.752SS**SBendtrans-134.615.4-178.1-83.5-74.5000115.3
474S63.3Low64.9Low113 Ų113138.7 Ų138.779%0.7976%0.758SS**  trans-125.588170.3-70.60000110.6
475D64.8Low64.7Low163 Ų163141.3 Ų141.387%0.87278%0.779SS**  trans-168.7136.8146.5-107-26000111.5
476S64.8Low64.7Low118 Ų118137.3 Ų137.383%0.82578%0.784SS**  trans105.893.3172.9-42.50000116
477D67.5Low64.2Low247 Ų247143.5 Ų143.5100%1.32182%0.817SS**  trans-640146.9-72.5-61.7000111.8

Retrieved 477 of 477 residues in 182.1 ms (Link to these results)