A0A087YEE5_POEFO Loading...

Ankyrin repeat domain 29

AlphaFold DB , UniProt , Accession A0A087YEE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 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
1M34.3Very low62.5Low237 Ų237117.7 Ų117.7100%1.16760%0.601SS**  01150-78.7168.6-179.500107.4F3M1-F3 PolarHBondContact O-N 3.18Å
2S32.7Very low64.8Low110 Ų110110.7 Ų110.777%0.76957%0.574SS**  trans-73.3117.4-173.3-178.60000109.6K4S2-K4 VanDerWaalsContact C-N 3.3Å; S2-K4 PolarHBondContact O-N 2.95Å
3F39.9Very low67Low201 Ų201102.2 Ų102.288%0.88253%0.53SS*.  trans-61.499159.6-69.7-86.5000106.2M1 K5M1-F3 PolarHBondContact O-N 3.18Å; F3-K5 VanDerWaalsContact C-N 3.32Å; F3-K5 PolarHBondContact O-N 2.98Å
4K51.7Low68.9Low151 Ų15196.6 Ų96.666%0.65750%0.5SS*.  trans-60.9101.2171.8-80-177-178.7174.20106.1S2 D35S2-K4 VanDerWaalsContact C-N 3.3Å; S2-K4 PolarHBondContact O-N 2.95Å; K4-D35 IonicContact NZ-OD2 3.33Å; K4-D35 PolarHBondContact NZ-OD2 3.37Å
5K49.7Very low70.5Confident185 Ų18599.1 Ų99.180%0.80450%0.5SS*.  trans-48.7139.8168.6-73.2-179.4175.6-179.40108.3F3 T7F3-K5 VanDerWaalsContact C-N 3.32Å; F3-K5 PolarHBondContact O-N 2.98Å; K5-T7 WeakPolarHBondContact O-CG2 3.45Å; K5-T7 PolarHBondContact O-N 3.14Å
6E59.9Low72Confident88 Ų8892.9 Ų92.941%0.41147%0.469SS..  trans-47.5106.8169.5-74.2171.1-164.500109.2D40 S41E6-D40 HydrophobicContact CG-CB 4.39Å; E6-S41 WeakPolarHBondContact OE1-CB 3.45Å; E6-S41 PolarHBondContact OE1-N 3.02Å; E6-S41 PolarHBondContact OE1-OG 2.95Å
7T75.8Confident73.4Confident64 Ų6487.5 Ų87.539%0.39344%0.442SS..  trans-85.6149.4176.265.20000108.6K5 L9 A10 N11K5-T7 WeakPolarHBondContact O-CG2 3.45Å; K5-T7 PolarHBondContact O-N 3.14Å; T7-L9 PolarHBondContact O-N 3.27Å; T7-A10 PolarHBondContact O-N 3.17Å; T7-A10 WeakPolarHBondContact OG1-CB 3.26Å; T7-A10 PolarHBondContact OG1-N 2.97Å; T7-A10 VanDerWaalsContact OG1-N 3.09Å; T7-N11 PolarHBondContact O-N 3.3Å
8P83.3Confident74.6Confident112 Ų11292 Ų9273%0.72745%0.453SS*.Hα-helixtrans-51.7-30.7173.4-28.435.3000113.3A12P8-A12 PolarHBondContact O-N 3.44Å
9L85.4Confident75.8Confident68 Ų6894.1 Ų94.136%0.35646%0.459SS..Hα-helixtrans-73.2-40.7176.2-70.3168.9000113T7 N11 A12 G13 L28 R33 V34T7-L9 PolarHBondContact O-N 3.27Å; L9-N11 VanDerWaalsContact C-N 3.28Å; L9-N11 PolarHBondContact O-N 3.43Å; L9-A12 WeakPolarHBondContact O-CB 3.37Å; L9-A12 PolarHBondContact O-N 2.91Å; L9-G13 PolarHBondContact O-N 3.29Å; L9-L28 HydrophobicContact CD2-CD2 4.21Å; L9-R33 HydrophobicContact CD1-CB 4.14Å; L9-V34 HydrophobicContact CB-CG2 3.94Å
10A85.5Confident76.8Confident8 Ų890.8 Ų90.87%0.06645%0.45CS..Hα-helixtrans-61.3-40.7171.500000110.8T7 A12 G13 F14 C38T7-A10 PolarHBondContact O-N 3.17Å; T7-A10 WeakPolarHBondContact OG1-CB 3.26Å; T7-A10 PolarHBondContact OG1-N 2.97Å; T7-A10 VanDerWaalsContact OG1-N 3.09Å; A10-A12 VanDerWaalsContact C-N 3.33Å; A10-A12 PolarHBondContact O-N 3.4Å; A10-G13 CarbonylContact O-C 3.58Å; A10-G13 WeakPolarHBondContact O-CA 3.42Å; A10-G13 PolarHBondContact O-N 3.39Å; A10-F14 HydrophobicContact CB-CE2 4.28Å; A10-F14 WeakPolarHBondContact O-CD2 3.15Å; A10-F14 PolarHBondContact O-N 2.94Å; A10-C38 HydrophobicContact CB-CB 4.29Å
11N88.9Confident77.7Confident71 Ų7189.3 Ų89.338%0.3844%0.444SS..Hα-helixtrans-62.4-38.3174.9-70-6.5000112.6T7 L9 G13 F14 W15T7-N11 PolarHBondContact O-N 3.3Å; L9-N11 VanDerWaalsContact C-N 3.28Å; L9-N11 PolarHBondContact O-N 3.43Å; N11-G13 VanDerWaalsContact C-N 3.33Å; N11-F14 PolarHBondContact O-N 3.24Å; N11-W15 WeakPolarHBondContact O-CB 3.5Å; N11-W15 PolarHBondContact O-N 3.27Å
12A91.1Very high80.7Confident33 Ų3380.4 Ų80.427%0.27340%0.401SS..Hα-helixtrans-63.9-39.2171.500000111.8P8 L9 A10 W15 A16 L28P8-A12 PolarHBondContact O-N 3.44Å; L9-A12 WeakPolarHBondContact O-CB 3.37Å; L9-A12 PolarHBondContact O-N 2.91Å; A10-A12 VanDerWaalsContact C-N 3.33Å; A10-A12 PolarHBondContact O-N 3.4Å; A12-W15 PolarHBondContact O-N 3.19Å; A12-A16 WeakPolarHBondContact O-CB 3.49Å; A12-A16 PolarHBondContact O-N 3.12Å; A12-L28 HydrophobicContact CB-CD1 3.96Å
13G92.5Very high83.7Confident1 Ų178.4 Ų78.41%0.0139%0.391CS..Hα-helixtrans-60.9-48.1173.200000112.5L9 A10 N11 W15 A16 A17L9-G13 PolarHBondContact O-N 3.29Å; A10-G13 CarbonylContact O-C 3.58Å; A10-G13 WeakPolarHBondContact O-CA 3.42Å; A10-G13 PolarHBondContact O-N 3.39Å; N11-G13 VanDerWaalsContact C-N 3.33Å; G13-W15 VanDerWaalsContact C-N 3.33Å; G13-W15 PolarHBondContact O-N 2.86Å; G13-A16 PolarHBondContact O-N 2.82Å; G13-A17 WeakPolarHBondContact O-CB 3.17Å; G13-A17 PolarHBondContact O-N 3.15Å
14F93.3Very high86.3Confident23 Ų2371.2 Ų71.210%0.10136%0.362CS..Hα-helixtrans-60.5-41174.4-69.8-58.7000112.4A10 N11 A17 R18 D40 T44 A46 V49A10-F14 HydrophobicContact CB-CE2 4.28Å; A10-F14 WeakPolarHBondContact O-CD2 3.15Å; A10-F14 PolarHBondContact O-N 2.94Å; N11-F14 PolarHBondContact O-N 3.24Å; F14-A17 PolarHBondContact O-N 3.24Å; F14-R18 VanDerWaalsContact O-CB 3.27Å; F14-R18 WeakPolarHBondContact O-CB 3.38Å; F14-R18 PolarHBondContact O-N 3.27Å; F14-D40 HydrophobicContact CE2-CB 4.25Å; F14-D40 HydrophobicContact CZ-CB 4.28Å; F14-T44 WeakPolarHBondContact CE1-O 3.49Å; F14-T44 WeakPolarHBondContact CZ-O 3.26Å; F14-A46 HydrophobicContact CD1-CB 4.27Å; F14-A46 HydrophobicContact CE1-CB 4.34Å; F14-V49 HydrophobicContact CD1-CG2 4.02Å
15W93.8Very high88.3Confident135 Ų13564.1 Ų64.151%0.51133%0.331SS..Hα-helixtrans-64.4-44.1176.7-176.493.6000111.7N11 A12 G13 R18 K19 L24N11-W15 WeakPolarHBondContact O-CB 3.5Å; N11-W15 PolarHBondContact O-N 3.27Å; A12-W15 PolarHBondContact O-N 3.19Å; G13-W15 VanDerWaalsContact C-N 3.33Å; G13-W15 PolarHBondContact O-N 2.86Å; W15-R18 PolarHBondContact O-N 3.05Å; W15-K19 HydrophobicContact CD2-CG 4.03Å; W15-K19 HydrophobicContact CG-CG 4.47Å; W15-K19 HydrophobicContact CH2-CG 4.39Å; W15-K19 HydrophobicContact CZ2-CG 3.88Å; W15-K19 WeakPolarHBondContact O-CB 3.23Å; W15-K19 WeakPolarHBondContact O-CG 3.22Å; W15-K19 PolarHBondContact O-N 3.08Å; W15-L24 HydrophobicContact CE3-CD2 3.91Å; W15-L24 HydrophobicContact CZ3-CD2 3.82Å
16A95.1Very high90.5Very high0 Ų058.4 Ų58.40%031%0.307CS..Hα-helixtrans-60-4717600000111.1A12 G13 R18 K19 G20 N21 L24 L25A12-A16 WeakPolarHBondContact O-CB 3.49Å; A12-A16 PolarHBondContact O-N 3.12Å; G13-A16 PolarHBondContact O-N 2.82Å; A16-R18 PolarHBondContact O-N 2.67Å; A16-K19 PolarHBondContact O-N 2.99Å; A16-G20 PolarHBondContact O-N 3.37Å; A16-N21 HydrophobicContact CB-CB 4.47Å; A16-N21 PolarHBondContact O-N 3.07Å; A16-L24 HydrophobicContact CB-CB 4.17Å; A16-L24 HydrophobicContact CB-CD2 3.98Å; A16-L24 HydrophobicContact CB-CG 4.01Å; A16-L25 HydrophobicContact CB-CB 4.07Å; A16-L25 HydrophobicContact CB-CD1 4.41Å
17A95.3Very high92.1Very high0 Ų059.9 Ų59.90%032%0.317CS..Hα-helixtrans-60.3-42.4175.100000112.4G13 F14 A46 V49 A50 H55G13-A17 WeakPolarHBondContact O-CB 3.17Å; G13-A17 PolarHBondContact O-N 3.15Å; F14-A17 PolarHBondContact O-N 3.24Å; A17-A46 HydrophobicContact CB-CB 4.23Å; A17-V49 HydrophobicContact CB-CB 4.48Å; A17-V49 HydrophobicContact CB-CG1 4.38Å; A17-A50 HydrophobicContact CB-CB 4.18Å; A17-H55 PolarHBondContact O-CD2 3.39Å
18R95.6Very high92.9Very high169 Ų16957.7 Ų57.764%0.63830%0.303SS*.Hα-helixtrans-69.3-35.3179.7-171.8173.5178.2171.8-0113.4F14 W15 A16 V49 H55F14-R18 VanDerWaalsContact O-CB 3.27Å; F14-R18 WeakPolarHBondContact O-CB 3.38Å; F14-R18 PolarHBondContact O-N 3.27Å; W15-R18 PolarHBondContact O-N 3.05Å; A16-R18 PolarHBondContact O-N 2.67Å; R18-V49 HydrophobicContact CB-CG1 3.56Å; R18-V49 HydrophobicContact CG-CG1 4.16Å; R18-H55 PolarHBondContact O-CD2 2.94Å; R18-H55 PolarHBondContact O-NE2 3.28Å
19K96.6Very high93.2Very high131 Ų13153 Ų5357%0.5727%0.271SS*.Hα-helixtrans-91.8-6.4-178.4-66.9-60.4-173.7177.40113.6W15 A16 N21W15-K19 HydrophobicContact CD2-CG 4.03Å; W15-K19 HydrophobicContact CG-CG 4.47Å; W15-K19 HydrophobicContact CH2-CG 4.39Å; W15-K19 HydrophobicContact CZ2-CG 3.88Å; W15-K19 WeakPolarHBondContact O-CB 3.23Å; W15-K19 WeakPolarHBondContact O-CG 3.22Å; W15-K19 PolarHBondContact O-N 3.08Å; A16-K19 PolarHBondContact O-N 2.99Å; K19-N21 VanDerWaalsContact C-N 3.28Å
20G95.4Very high93.5Very high28 Ų2855 Ų5529%0.28928%0.283SS..THydrogen-bonded Turntrans72.823-177.500000113A16 L22 H55A16-G20 PolarHBondContact O-N 3.37Å; G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 3.36Å; G20-H55 WeakPolarHBondContact CA-ND1 3.48Å; G20-H55 PolarHBondContact N-CD2 3.33Å; G20-H55 VanDerWaalsContact N-CD2 3.32Å; G20-H55 PolarHBondContact N-NE2 3.23Å
21N96.8Very high93.7Very high61 Ų6157.4 Ų57.433%0.32630%0.299SS..  trans-81.982.6178.6-170.9-21.1000109.9A16 K19 A23 L24 L25A16-N21 HydrophobicContact CB-CB 4.47Å; A16-N21 PolarHBondContact O-N 3.07Å; K19-N21 VanDerWaalsContact C-N 3.28Å; N21-A23 VanDerWaalsContact C-N 3.32Å; N21-A23 PolarHBondContact O-N 3.47Å; N21-A23 PolarHBondContact OD1-N 2.81Å; N21-L24 HydrophobicContact CB-CB 4.2Å; N21-L24 VanDerWaalsContact CG-CB 3.49Å; N21-L24 PolarHBondContact O-N 3.16Å; N21-L24 WeakPolarHBondContact OD1-CB 3.4Å; N21-L24 PolarHBondContact OD1-N 3.32Å; N21-L25 WeakPolarHBondContact O-CB 3.33Å; N21-L25 PolarHBondContact O-N 3.05Å
22L96Very high93.3Very high49 Ų4957.3 Ų57.326%0.25732%0.315SS..Hα-helixtrans-57.5-43.5-179.4179.665.3000112.3G20 L24 L25 Q26 E57 E61G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 3.36Å; L22-L24 PolarHBondContact O-N 3.14Å; L22-L25 WeakPolarHBondContact O-CB 3.31Å; L22-L25 PolarHBondContact O-N 3.49Å; L22-L25 VanDerWaalsContact O-N 3.17Å; L22-Q26 HydrophobicContact CD1-CG 4.05Å; L22-Q26 HydrophobicContact CG-CG 4.27Å; L22-Q26 WeakPolarHBondContact O-CB 3.38Å; L22-Q26 WeakPolarHBondContact O-CG 3.43Å; L22-Q26 PolarHBondContact O-N 2.95Å; L22-E57 HydrophobicContact CD1-CB 4.39Å; L22-E57 HydrophobicContact CD2-CB 3.98Å; L22-E61 HydrophobicContact CD1-CB 3.83Å; L22-E61 HydrophobicContact CD1-CG 4.18Å
23A95.9Very high92.8Very high68 Ų6864.7 Ų64.756%0.56234%0.336SS*.Hα-helixtrans-62.1-44.2-177.500000111.9N21 L27N21-A23 VanDerWaalsContact C-N 3.32Å; N21-A23 PolarHBondContact O-N 3.47Å; N21-A23 PolarHBondContact OD1-N 2.81Å; A23-L27 WeakPolarHBondContact O-CB 3.42Å; A23-L27 PolarHBondContact O-N 3.1Å
24L94.4Very high92.4Very high50 Ų5065.1 Ų65.126%0.26234%0.338SS..Hα-helixtrans-66.5-40.7175.2-179.460.5000111.4W15 A16 N21 L22 L27 L28W15-L24 HydrophobicContact CE3-CD2 3.91Å; W15-L24 HydrophobicContact CZ3-CD2 3.82Å; A16-L24 HydrophobicContact CB-CB 4.17Å; A16-L24 HydrophobicContact CB-CD2 3.98Å; A16-L24 HydrophobicContact CB-CG 4.01Å; N21-L24 HydrophobicContact CB-CB 4.2Å; N21-L24 VanDerWaalsContact CG-CB 3.49Å; N21-L24 PolarHBondContact O-N 3.16Å; N21-L24 WeakPolarHBondContact OD1-CB 3.4Å; N21-L24 PolarHBondContact OD1-N 3.32Å; L22-L24 PolarHBondContact O-N 3.14Å; L24-L27 PolarHBondContact O-N 3.39Å; L24-L28 HydrophobicContact CD1-CD1 4.22Å; L24-L28 HydrophobicContact CD1-CG 4.25Å; L24-L28 HydrophobicContact CG-CD1 4.05Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.18Å; L24-L28 PolarHBondContact O-N 3.41Å
25L94.5Very high92.2Very high2 Ų267.8 Ų67.81%0.0135%0.353CS..Hα-helixtrans-61.2-48.4178.3-17462.7000111.3A16 N21 L22 L27 L28 L29 C58 L62A16-L25 HydrophobicContact CB-CB 4.07Å; A16-L25 HydrophobicContact CB-CD1 4.41Å; N21-L25 WeakPolarHBondContact O-CB 3.33Å; N21-L25 PolarHBondContact O-N 3.05Å; L22-L25 WeakPolarHBondContact O-CB 3.31Å; L22-L25 PolarHBondContact O-N 3.49Å; L22-L25 VanDerWaalsContact O-N 3.17Å; L25-L27 PolarHBondContact O-N 3Å; L25-L28 PolarHBondContact O-N 3.31Å; L25-L29 HydrophobicContact CD1-CD1 4.11Å; L25-L29 HydrophobicContact CD1-CG 4.4Å; L25-L29 HydrophobicContact CG-CD1 3.91Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.4Å; L25-L29 PolarHBondContact O-N 3.42Å; L25-C58 HydrophobicContact CD2-CB 3.68Å; L25-L62 HydrophobicContact CD1-CD2 4.33Å; L25-L62 HydrophobicContact CD2-CD1 4.18Å; L25-L62 HydrophobicContact CD2-CG 4.06Å
26Q94.7Very high91.9Very high65 Ų6561.8 Ų61.830%0.30433%0.332SS..Hα-helixtrans-59.9-43.9175.6-76.2177.1-26.400111.9L22 L28 L29 N30 E61L22-Q26 HydrophobicContact CD1-CG 4.05Å; L22-Q26 HydrophobicContact CG-CG 4.27Å; L22-Q26 WeakPolarHBondContact O-CB 3.38Å; L22-Q26 WeakPolarHBondContact O-CG 3.43Å; L22-Q26 PolarHBondContact O-N 2.95Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.94Å; Q26-L29 PolarHBondContact O-N 2.85Å; Q26-N30 WeakPolarHBondContact O-CB 3.44Å; Q26-N30 PolarHBondContact O-N 3.35Å; Q26-N30 PolarHBondContact O-ND2 3.48Å; Q26-E61 HydrophobicContact CG-CG 3.83Å; Q26-E61 PolarHBondContact NE2-OE2 2.87Å
27L93.8Very high91.7Very high120 Ų12063.6 Ų63.663%0.62834%0.342SS*.Hα-helixtrans-59.2-44.1176.8-176.270.1000111.5A23 L24 L25 S31A23-L27 WeakPolarHBondContact O-CB 3.42Å; A23-L27 PolarHBondContact O-N 3.1Å; L24-L27 PolarHBondContact O-N 3.39Å; L25-L27 PolarHBondContact O-N 3Å; L27-S31 VanDerWaalsContact O-CB 3.29Å; L27-S31 WeakPolarHBondContact O-CB 3.4Å; L27-S31 PolarHBondContact O-N 2.92Å; L27-S31 VanDerWaalsContact O-N 3.13Å; L27-S31 PolarHBondContact O-OG 3.45Å
28L92.3Very high91.3Very high17 Ų1764.2 Ų64.29%0.08935%0.346CS..Hα-helixtrans-67.8-45.2-179.5-71171.6000112.1L9 A12 L24 L25 Q26 S31 V34L9-L28 HydrophobicContact CD2-CD2 4.21Å; A12-L28 HydrophobicContact CB-CD1 3.96Å; L24-L28 HydrophobicContact CD1-CD1 4.22Å; L24-L28 HydrophobicContact CD1-CG 4.25Å; L24-L28 HydrophobicContact CG-CD1 4.05Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.18Å; L24-L28 PolarHBondContact O-N 3.41Å; L25-L28 PolarHBondContact O-N 3.31Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.94Å; L28-S31 PolarHBondContact O-OG 2.94Å; L28-V34 HydrophobicContact CB-CB 4.32Å; L28-V34 HydrophobicContact CB-CG2 4.06Å; L28-V34 HydrophobicContact CD2-CG2 4.29Å
29L90.8Very high91Very high13 Ų1360.6 Ų60.67%0.06833%0.332CS..Hα-helixtrans-67.2-49.1179.2-65.3172.2000111.3L25 Q26 S31 G32 V34 A36 E61 L62 Q65L25-L29 HydrophobicContact CD1-CD1 4.11Å; L25-L29 HydrophobicContact CD1-CG 4.4Å; L25-L29 HydrophobicContact CG-CD1 3.91Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.4Å; L25-L29 PolarHBondContact O-N 3.42Å; Q26-L29 PolarHBondContact O-N 2.85Å; L29-S31 PolarHBondContact O-N 3.4Å; L29-G32 PolarHBondContact O-N 3.47Å; L29-V34 HydrophobicContact CD2-CG1 4.46Å; L29-A36 HydrophobicContact CD2-CB 4.29Å; L29-E61 HydrophobicContact CD1-CG 4.25Å; L29-L62 HydrophobicContact CD1-CD2 3.89Å; L29-L62 HydrophobicContact CD2-CD2 4.42Å; L29-Q65 HydrophobicContact CB-CG 4.39Å; L29-Q65 HydrophobicContact CD1-CB 4.33Å; L29-Q65 HydrophobicContact CD1-CG 3.96Å
30N92Very high90.7Very high112 Ų11256.2 Ų56.260%0.59932%0.315SS*.Hα-helixtrans-66.1-23.8-179.5-67.7-22000113.2Q26 G32 Q65Q26-N30 WeakPolarHBondContact O-CB 3.44Å; Q26-N30 PolarHBondContact O-N 3.35Å; Q26-N30 PolarHBondContact O-ND2 3.48Å; N30-G32 PolarHBondContact O-N 2.98Å; N30-Q65 PolarHBondContact OD1-NE2 3.48Å
31S88.1Confident90.5Very high58 Ų5858.4 Ų58.441%0.40633%0.327SS..THydrogen-bonded Turntrans-69.4-11.1173.876.30000113.6L27 L28 L29 R33L27-S31 VanDerWaalsContact O-CB 3.29Å; L27-S31 WeakPolarHBondContact O-CB 3.4Å; L27-S31 PolarHBondContact O-N 2.92Å; L27-S31 VanDerWaalsContact O-N 3.13Å; L27-S31 PolarHBondContact O-OG 3.45Å; L28-S31 PolarHBondContact O-OG 2.94Å; L29-S31 PolarHBondContact O-N 3.4Å; S31-R33 PolarHBondContact O-N 2.89Å; S31-R33 VanDerWaalsContact O-N 3.15Å; S31-R33 WeakPolarHBondContact OG-CB 3.48Å; S31-R33 WeakPolarHBondContact OG-CG 3.17Å; S31-R33 PolarHBondContact OG-N 2.84Å
32G82.4Confident90.2Very high69 Ų6961.7 Ų61.771%0.71134%0.335SS*.THydrogen-bonded Turntrans68.44-174.900000114.2L29 N30L29-G32 PolarHBondContact O-N 3.47Å; N30-G32 PolarHBondContact O-N 2.98Å
33R79.1Confident90.1Very high187 Ų18759.7 Ų59.771%0.70633%0.327SS*.SBendtrans-85.8-21.7-178-60.1-176.7179.1-152.90.1113.1L9 S31L9-R33 HydrophobicContact CD1-CB 4.14Å; S31-R33 PolarHBondContact O-N 2.89Å; S31-R33 VanDerWaalsContact O-N 3.15Å; S31-R33 WeakPolarHBondContact OG-CB 3.48Å; S31-R33 WeakPolarHBondContact OG-CG 3.17Å; S31-R33 PolarHBondContact OG-N 2.84Å
34V85.4Confident90Very high10 Ų1057.3 Ų57.36%0.06131%0.305CS..SBendtrans-120.9125.1176.2-178.60000108.1L9 L28 L29 C38L9-V34 HydrophobicContact CB-CG2 3.94Å; L28-V34 HydrophobicContact CB-CB 4.32Å; L28-V34 HydrophobicContact CB-CG2 4.06Å; L28-V34 HydrophobicContact CD2-CG2 4.29Å; L29-V34 HydrophobicContact CD2-CG1 4.46Å; V34-C38 HydrophobicContact CG1-CB 4.17Å
35D87.9Confident90.1Very high80 Ų8055 Ų5543%0.42829%0.293SS..  trans-74.5139.2174.3-162.4-23.4000109.5K4 D37 C38K4-D35 IonicContact NZ-OD2 3.33Å; K4-D35 PolarHBondContact NZ-OD2 3.37Å; D35-D37 PolarHBondContact O-N 3.24Å; D35-D37 PolarHBondContact OD1-N 3.3Å; D35-C38 VanDerWaalsContact O-CB 3.26Å; D35-C38 WeakPolarHBondContact O-CB 3.32Å; D35-C38 PolarHBondContact O-N 3.27Å; D35-C38 PolarHBondContact O-SG 3.02Å; D35-C38 VanDerWaalsContact O-SG 3.41Å
36A88.3Confident90.1Very high8 Ų855 Ų557%0.06629%0.293CS..THydrogen-bonded Turntrans-59.7-31.3175.900000111.1L29 C38 Q65 A67L29-A36 HydrophobicContact CD2-CB 4.29Å; A36-C38 VanDerWaalsContact C-N 3.3Å; A36-C38 PolarHBondContact O-N 3.02Å; A36-Q65 HydrophobicContact CB-CB 4.03Å; A36-A67 HydrophobicContact CB-CB 4.16Å
37D89.4Confident90.3Very high38 Ų3851.9 Ų51.920%0.20328%0.279CS..THydrogen-bonded Turntrans-91.828.1173.8-82.4-23.2000113.5D35 R39 A67 D68D35-D37 PolarHBondContact O-N 3.24Å; D35-D37 PolarHBondContact OD1-N 3.3Å; D37-R39 WeakPolarHBondContact O-CG 3.25Å; D37-R39 PolarHBondContact O-N 3.36Å; D37-R39 PolarHBondContact O-NE 3.28Å; D37-A67 WeakPolarHBondContact OD1-CA 3.49Å; D37-D68 PolarHBondContact OD1-N 3.17Å
38C87.6Confident90.5Very high13 Ų1346.2 Ų46.29%0.08825%0.249CC..  trans-59138.6172.365.40000110.9A10 V34 D35 A36 T45A10-C38 HydrophobicContact CB-CB 4.29Å; V34-C38 HydrophobicContact CG1-CB 4.17Å; D35-C38 VanDerWaalsContact O-CB 3.26Å; D35-C38 WeakPolarHBondContact O-CB 3.32Å; D35-C38 PolarHBondContact O-N 3.27Å; D35-C38 PolarHBondContact O-SG 3.02Å; D35-C38 VanDerWaalsContact O-SG 3.41Å; A36-C38 VanDerWaalsContact C-N 3.3Å; A36-C38 PolarHBondContact O-N 3.02Å; C38-T45 WeakPolarHBondContact O-CA 3.44Å
39R90.2Very high90.7Very high93 Ų9346.8 Ų46.835%0.35125%0.253SS..BIsolated β-bridgetrans-131.6141-172.2-69.7163.9-157.6177.94.5110.9D37 T44 T45 Y71D37-R39 WeakPolarHBondContact O-CG 3.25Å; D37-R39 PolarHBondContact O-N 3.36Å; D37-R39 PolarHBondContact O-NE 3.28Å; R39-T44 VanDerWaalsContact CA-O 3.29Å; R39-T44 WeakPolarHBondContact CA-O 3.41Å; R39-T45 HydrophobicContact CG-CG2 3.84Å; R39-Y71 HydrophobicContact CG-CE1 4.38Å; R39-Y71 VanDerWaalsContact CZ-CZ 3.42Å; R39-Y71 VanDerWaalsContact NH1-CZ 3.3Å; R39-Y71 PolarHBondContact NH1-OH 3.43Å
40D90.5Very high91Very high39 Ų3946.1 Ų46.121%0.20925%0.25CC..  trans-80.8179.8167.775.55.8000111.2E6 F14 Y42 G43 T44E6-D40 HydrophobicContact CG-CB 4.39Å; F14-D40 HydrophobicContact CE2-CB 4.25Å; F14-D40 HydrophobicContact CZ-CB 4.28Å; D40-Y42 PolarHBondContact O-N 3Å; D40-Y42 VanDerWaalsContact O-N 3.1Å; D40-Y42 WeakPolarHBondContact OD1-CA 3.14Å; D40-Y42 PolarHBondContact OD1-N 3.45Å; D40-G43 PolarHBondContact O-N 3.13Å; D40-G43 PolarHBondContact OD1-N 3.21Å; D40-G43 VanDerWaalsContact OD1-N 3.1Å; D40-T44 VanDerWaalsContact CG-CB 3.4Å; D40-T44 PolarHBondContact N-O 3.5Å; D40-T44 VanDerWaalsContact N-O 3.11Å; D40-T44 WeakPolarHBondContact OD1-CB 3.29Å; D40-T44 PolarHBondContact OD1-N 2.87Å; D40-T44 PolarHBondContact OD1-OG1 3.36Å; D40-T44 WeakPolarHBondContact OD2-CB 3.44Å; D40-T44 PolarHBondContact OD2-OG1 3.47Å
41S90.6Very high91.3Very high75 Ų7540.8 Ų40.852%0.52422%0.221SC..THydrogen-bonded Turntrans-57.9-17.8177.7430000115.4E6E6-S41 WeakPolarHBondContact OE1-CB 3.45Å; E6-S41 PolarHBondContact OE1-N 3.02Å; E6-S41 PolarHBondContact OE1-OG 2.95Å
42Y90.6Very high91.8Very high129 Ų12943.2 Ų43.251%0.50622%0.222SC..THydrogen-bonded Turntrans-103.75.1177.5-54.9-77.8000113.1D40 R73 E74D40-Y42 PolarHBondContact O-N 3Å; D40-Y42 VanDerWaalsContact O-N 3.1Å; D40-Y42 WeakPolarHBondContact OD1-CA 3.14Å; D40-Y42 PolarHBondContact OD1-N 3.45Å; Y42-R73 VanDerWaalsContact CB-NH2 3.33Å; Y42-E74 WeakPolarHBondContact O-CG 3.43Å; Y42-E74 PolarHBondContact O-N 2.98Å; Y42-E74 VanDerWaalsContact O-N 3.09Å
43G92.8Very high92.5Very high8 Ų841.6 Ų41.68%0.08220%0.2CC..  trans75.518.9-173.800000114.3D40 T45 Y71 R73D40-G43 PolarHBondContact O-N 3.13Å; D40-G43 PolarHBondContact OD1-N 3.21Å; D40-G43 VanDerWaalsContact OD1-N 3.1Å; G43-T45 PolarHBondContact O-N 3.41Å; G43-Y71 VanDerWaalsContact O-CE1 3.27Å; G43-Y71 WeakPolarHBondContact O-CE1 3.31Å; G43-R73 WeakPolarHBondContact O-CB 3.5Å
44T94.9Very high93.4Very high18 Ų1833.9 Ų33.911%0.1118%0.179CC..  trans-68.8126.2171.8-39.60000109.9F14 R39 D40 M48 V49 R73F14-T44 WeakPolarHBondContact CE1-O 3.49Å; F14-T44 WeakPolarHBondContact CZ-O 3.26Å; R39-T44 VanDerWaalsContact CA-O 3.29Å; R39-T44 WeakPolarHBondContact CA-O 3.41Å; D40-T44 VanDerWaalsContact CG-CB 3.4Å; D40-T44 PolarHBondContact N-O 3.5Å; D40-T44 VanDerWaalsContact N-O 3.11Å; D40-T44 WeakPolarHBondContact OD1-CB 3.29Å; D40-T44 PolarHBondContact OD1-N 2.87Å; D40-T44 PolarHBondContact OD1-OG1 3.36Å; D40-T44 WeakPolarHBondContact OD2-CB 3.44Å; D40-T44 PolarHBondContact OD2-OG1 3.47Å; T44-M48 HydrophobicContact CG2-CB 4.07Å; T44-M48 HydrophobicContact CG2-SD 4.35Å; T44-V49 HydrophobicContact CG2-CG2 3.72Å; T44-R73 PolarHBondContact OG1-NH1 3.49Å
45T95.7Very high94Very high1 Ų136 Ų361%0.00619%0.188CC..BIsolated β-bridgetrans-92.6159.3173.264.60000112.2C38 R39 G43 L47 M48 V49 Y71C38-T45 WeakPolarHBondContact O-CA 3.44Å; R39-T45 HydrophobicContact CG-CG2 3.84Å; G43-T45 PolarHBondContact O-N 3.41Å; T45-L47 PolarHBondContact O-N 3.33Å; T45-M48 WeakPolarHBondContact O-CB 3.41Å; T45-M48 PolarHBondContact O-N 3.43Å; T45-M48 VanDerWaalsContact O-N 3.12Å; T45-M48 WeakPolarHBondContact OG1-CG 3.05Å; T45-M48 PolarHBondContact OG1-N 3.41Å; T45-V49 PolarHBondContact O-N 2.95Å; T45-V49 VanDerWaalsContact O-N 3.14Å; T45-Y71 HydrophobicContact CG2-CD1 3.61Å; T45-Y71 HydrophobicContact CG2-CE1 4.2Å; T45-Y71 HydrophobicContact CG2-CG 4.22Å
46A95.4Very high94.4Very high1 Ų135.8 Ų35.81%0.00818%0.181CC..Hα-helixtrans-58.5-34173.600000111.3F14 A17 V49 A50 L62F14-A46 HydrophobicContact CD1-CB 4.27Å; F14-A46 HydrophobicContact CE1-CB 4.34Å; A17-A46 HydrophobicContact CB-CB 4.23Å; A46-V49 PolarHBondContact O-N 2.76Å; A46-A50 WeakPolarHBondContact O-CB 3.29Å; A46-A50 PolarHBondContact O-N 3.25Å; A46-L62 HydrophobicContact CB-CD1 3.98Å; A46-L62 HydrophobicContact CB-CD2 3.96Å
47L97.6Very high94.9Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-61.7-43.7175.4-176.165.9000111.7T45 V49 S51 V59 L62 I63 A67 I69 A79T45-L47 PolarHBondContact O-N 3.33Å; L47-V49 PolarHBondContact O-N 2.95Å; L47-S51 WeakPolarHBondContact O-CB 3.43Å; L47-S51 PolarHBondContact O-N 3.36Å; L47-S51 PolarHBondContact O-OG 2.71Å; L47-V59 HydrophobicContact CD1-CB 4.32Å; L47-V59 HydrophobicContact CD1-CG1 3.76Å; L47-L62 HydrophobicContact CB-CD1 4.41Å; L47-L62 HydrophobicContact CD1-CB 4.04Å; L47-I63 HydrophobicContact CD1-CD1 4.37Å; L47-I63 HydrophobicContact CD1-CG1 3.9Å; L47-I63 HydrophobicContact CD2-CG1 4.46Å; L47-A67 HydrophobicContact CB-CB 4.42Å; L47-A67 HydrophobicContact CD2-CB 4.26Å; L47-I69 HydrophobicContact CD2-CG1 4.37Å; L47-A79 HydrophobicContact CD2-CB 3.94Å; L47-A79 HydrophobicContact CG-CB 3.78Å
48M97.9Very high95.3Very high2 Ų238.7 Ų38.71%0.0119%0.193CC..Hα-helixtrans-61.7-42.4174.4-70.5172.1-17100111.9T44 T45 S51 Y52 Y71 R73 S77 A79 F82T44-M48 HydrophobicContact CG2-CB 4.07Å; T44-M48 HydrophobicContact CG2-SD 4.35Å; T45-M48 WeakPolarHBondContact O-CB 3.41Å; T45-M48 PolarHBondContact O-N 3.43Å; T45-M48 VanDerWaalsContact O-N 3.12Å; T45-M48 WeakPolarHBondContact OG1-CG 3.05Å; T45-M48 PolarHBondContact OG1-N 3.41Å; M48-S51 PolarHBondContact O-N 3.36Å; M48-Y52 WeakPolarHBondContact O-CB 3.17Å; M48-Y52 PolarHBondContact O-N 2.79Å; M48-Y71 HydrophobicContact CE-CD1 3.78Å; M48-Y71 WeakPolarHBondContact CE-O 3.27Å; M48-R73 HydrophobicContact CE-CB 4.12Å; M48-R73 HydrophobicContact SD-CB 4.02Å; M48-R73 HydrophobicContact SD-CG 4.37Å; M48-S77 VanDerWaalsContact CE-O 3.32Å; M48-S77 WeakPolarHBondContact CE-O 3.4Å; M48-A79 HydrophobicContact CG-CB 4.34Å; M48-F82 HydrophobicContact CB-CD2 3.81Å; M48-F82 HydrophobicContact CB-CE2 4.03Å; M48-F82 HydrophobicContact CG-CD2 3.98Å; M48-F82 HydrophobicContact CG-CE2 4.09Å; M48-F82 HydrophobicContact SD-CD2 4.48Å; M48-F82 HydrophobicContact SD-CE2 3.99Å
49V97.1Very high95.8Very high28 Ų2838 Ų3817%0.1719%0.188CC..Hα-helixtrans-66.3-45.1-179.7176.10000111.7F14 A17 R18 T44 T45 A46 L47 Y52 S53F14-V49 HydrophobicContact CD1-CG2 4.02Å; A17-V49 HydrophobicContact CB-CB 4.48Å; A17-V49 HydrophobicContact CB-CG1 4.38Å; R18-V49 HydrophobicContact CB-CG1 3.56Å; R18-V49 HydrophobicContact CG-CG1 4.16Å; T44-V49 HydrophobicContact CG2-CG2 3.72Å; T45-V49 PolarHBondContact O-N 2.95Å; T45-V49 VanDerWaalsContact O-N 3.14Å; A46-V49 PolarHBondContact O-N 2.76Å; L47-V49 PolarHBondContact O-N 2.95Å; V49-Y52 PolarHBondContact O-N 2.58Å; V49-S53 VanDerWaalsContact O-CB 3.32Å; V49-S53 WeakPolarHBondContact O-CB 3.4Å; V49-S53 PolarHBondContact O-N 2.83Å; V49-S53 PolarHBondContact O-OG 2.96Å
50A97.7Very high96.2Very high0 Ų037.8 Ų37.80%019%0.19CC..Hα-helixtrans-64.1-42.8175.700000111.2A17 A46 S53 G54 H55 C58 V59 L62A17-A50 HydrophobicContact CB-CB 4.18Å; A46-A50 WeakPolarHBondContact O-CB 3.29Å; A46-A50 PolarHBondContact O-N 3.25Å; A50-S53 PolarHBondContact O-N 2.87Å; A50-G54 PolarHBondContact O-N 3.39Å; A50-H55 PolarHBondContact O-N 3.45Å; A50-H55 VanDerWaalsContact O-N 3.15Å; A50-C58 HydrophobicContact CB-CB 4Å; A50-V59 HydrophobicContact CB-CG2 3.73Å; A50-L62 HydrophobicContact CB-CD1 4.16Å
51S98.1Very high96.4Very high0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-63.7-40.5177.8-640000112.6L47 M48 H88L47-S51 WeakPolarHBondContact O-CB 3.43Å; L47-S51 PolarHBondContact O-N 3.36Å; L47-S51 PolarHBondContact O-OG 2.71Å; M48-S51 PolarHBondContact O-N 3.36Å; S51-H88 PolarHBondContact O-CD2 3.04Å
52Y98Very high96.7Very high108 Ų10834 Ų3442%0.42416%0.162SC..Hα-helixtrans-64.9-41.8172.9-177.8-91000111.4M48 V49 G54 F82 Q86 H88M48-Y52 WeakPolarHBondContact O-CB 3.17Å; M48-Y52 PolarHBondContact O-N 2.79Å; V49-Y52 PolarHBondContact O-N 2.58Å; Y52-G54 VanDerWaalsContact C-N 3.32Å; Y52-G54 PolarHBondContact O-N 3.44Å; Y52-F82 HydrophobicContact CD2-CB 4.18Å; Y52-F82 AromaticContact CD2-CD1 3.74Å; Y52-F82 HydrophobicContact CD2-CD1 3.74Å; Y52-F82 HydrophobicContact CD2-CG 4.26Å; Y52-F82 HydrophobicContact CE2-CD1 4.42Å; Y52-Q86 HydrophobicContact CD2-CG 3.93Å; Y52-Q86 HydrophobicContact CE2-CG 4.06Å; Y52-Q86 HydrophobicContact CG-CG 4.32Å; Y52-Q86 WeakPolarHBondContact O-CG 3.29Å; Y52-Q86 PolarHBondContact OH-NE2 3.23Å; Y52-H88 PolarHBondContact O-NE2 3.42Å; Y52-H88 VanDerWaalsContact O-NE2 3.07Å
53S97.3Very high97Very high36 Ų3628.4 Ų28.425%0.25214%0.142SC..Hα-helixtrans-82.1-10.3-172.7-50.30000113.5V49 A50 H55V49-S53 VanDerWaalsContact O-CB 3.32Å; V49-S53 WeakPolarHBondContact O-CB 3.4Å; V49-S53 PolarHBondContact O-N 2.83Å; V49-S53 PolarHBondContact O-OG 2.96Å; A50-S53 PolarHBondContact O-N 2.87Å; S53-H55 WeakPolarHBondContact CB-CD2 3.3Å
54G97.5Very high97.2Very high25 Ų2534 Ų3426%0.25817%0.167SC..THydrogen-bonded Turntrans85.917.3175.700000115.1A50 Y52 Y56 H88 I91A50-G54 PolarHBondContact O-N 3.39Å; Y52-G54 VanDerWaalsContact C-N 3.32Å; Y52-G54 PolarHBondContact O-N 3.44Å; G54-Y56 PolarHBondContact O-N 3.44Å; G54-Y56 VanDerWaalsContact O-N 3.15Å; G54-H88 VanDerWaalsContact CA-CD2 3.41Å; G54-H88 WeakPolarHBondContact CA-CD2 3.39Å; G54-H88 VanDerWaalsContact CA-NE2 3.28Å; G54-H88 WeakPolarHBondContact CA-NE2 3.34Å; G54-H88 PolarHBondContact N-NE2 3.11Å; G54-I91 VanDerWaalsContact C-CD1 3.48Å
55H98.1Very high97.1Very high54 Ų5436.8 Ų36.825%0.2518%0.179CC..  trans-89.583.5-174.8-61.3-55.4000111.4A17 R18 G20 A50 S53 E57 C58 V59A17-H55 PolarHBondContact O-CD2 3.39Å; R18-H55 PolarHBondContact O-CD2 2.94Å; R18-H55 PolarHBondContact O-NE2 3.28Å; G20-H55 WeakPolarHBondContact CA-ND1 3.48Å; G20-H55 PolarHBondContact N-CD2 3.33Å; G20-H55 VanDerWaalsContact N-CD2 3.32Å; G20-H55 PolarHBondContact N-NE2 3.23Å; A50-H55 PolarHBondContact O-N 3.45Å; A50-H55 VanDerWaalsContact O-N 3.15Å; S53-H55 WeakPolarHBondContact CB-CD2 3.3Å; H55-E57 PolarHBondContact O-N 3.3Å; H55-C58 HydrophobicContact CB-CB 3.97Å; H55-C58 WeakPolarHBondContact O-CB 3.46Å; H55-C58 PolarHBondContact O-N 3.24Å; H55-C58 VanDerWaalsContact O-N 3.13Å; H55-V59 PolarHBondContact O-N 3.45Å
56Y98.1Very high97Very high75 Ų7539.4 Ų39.429%0.29421%0.206SC..Hα-helixtrans-50.2-50.3-175.5-180-91.2000113.6G54 C58 V59 K60 D90 I91 L94G54-Y56 PolarHBondContact O-N 3.44Å; G54-Y56 VanDerWaalsContact O-N 3.15Å; Y56-C58 VanDerWaalsContact C-N 3.32Å; Y56-C58 PolarHBondContact O-N 3.19Å; Y56-V59 WeakPolarHBondContact O-CB 3.21Å; Y56-V59 PolarHBondContact O-N 3.22Å; Y56-V59 VanDerWaalsContact O-N 3.14Å; Y56-K60 HydrophobicContact CE1-CD 4.32Å; Y56-K60 PolarHBondContact O-N 2.99Å; Y56-D90 HydrophobicContact CD2-CB 3.95Å; Y56-D90 HydrophobicContact CE2-CB 4.11Å; Y56-I91 HydrophobicContact CD2-CG1 4.13Å; Y56-L94 HydrophobicContact CD2-CD2 4.18Å; Y56-L94 HydrophobicContact CE2-CB 3.88Å; Y56-L94 HydrophobicContact CE2-CD2 3.78Å; Y56-L94 HydrophobicContact CE2-CG 4.28Å
57E98.1Very high97Very high105 Ų10539.8 Ų39.849%0.49121%0.209SC..Hα-helixtrans-64.5-36.8-178.1-60.5-57153.900112.5L22 H55 K60 E61L22-E57 HydrophobicContact CD1-CB 4.39Å; L22-E57 HydrophobicContact CD2-CB 3.98Å; H55-E57 PolarHBondContact O-N 3.3Å; E57-K60 PolarHBondContact O-N 3.19Å; E57-E61 WeakPolarHBondContact O-CB 3.42Å; E57-E61 PolarHBondContact O-N 3.1Å
58C97.4Very high97Very high2 Ų243 Ų431%0.01423%0.226CC..Hα-helixtrans-66.4-39.8174.7-67.60000111.7L25 A50 H55 Y56 L62L25-C58 HydrophobicContact CD2-CB 3.68Å; A50-C58 HydrophobicContact CB-CB 4Å; H55-C58 HydrophobicContact CB-CB 3.97Å; H55-C58 WeakPolarHBondContact O-CB 3.46Å; H55-C58 PolarHBondContact O-N 3.24Å; H55-C58 VanDerWaalsContact O-N 3.13Å; Y56-C58 VanDerWaalsContact C-N 3.32Å; Y56-C58 PolarHBondContact O-N 3.19Å; C58-L62 WeakPolarHBondContact O-CB 3.49Å; C58-L62 WeakPolarHBondContact O-CD1 3.15Å; C58-L62 VanDerWaalsContact O-CG 3.25Å; C58-L62 WeakPolarHBondContact O-CG 3.38Å; C58-L62 PolarHBondContact O-N 3.35Å
59V98.1Very high96.9Very high0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-60.8-48.8174.6171.50000110.1L47 A50 H55 Y56 E61 L62 I63 I91 L94 L95L47-V59 HydrophobicContact CD1-CB 4.32Å; L47-V59 HydrophobicContact CD1-CG1 3.76Å; A50-V59 HydrophobicContact CB-CG2 3.73Å; H55-V59 PolarHBondContact O-N 3.45Å; Y56-V59 WeakPolarHBondContact O-CB 3.21Å; Y56-V59 PolarHBondContact O-N 3.22Å; Y56-V59 VanDerWaalsContact O-N 3.14Å; V59-E61 PolarHBondContact O-N 3.34Å; V59-L62 PolarHBondContact O-N 2.98Å; V59-I63 HydrophobicContact CG1-CD1 3.78Å; V59-I63 WeakPolarHBondContact O-CG1 3.46Å; V59-I63 PolarHBondContact O-N 3.19Å; V59-I91 HydrophobicContact CG1-CG2 4.15Å; V59-I91 HydrophobicContact CG2-CD1 4.04Å; V59-I91 HydrophobicContact CG2-CG1 4.35Å; V59-I91 HydrophobicContact CG2-CG2 4.14Å; V59-L94 HydrophobicContact CB-CD2 4.36Å; V59-L94 HydrophobicContact CG1-CD2 3.82Å; V59-L95 HydrophobicContact CG1-CD2 4.33Å
60K97.9Very high97Very high88 Ų8845.1 Ų45.138%0.38324%0.236SC..Hα-helixtrans-58.9-47.7179.6-172.1178.1178.9-177.90111.8Y56 E57 L62 I63 M64 L94Y56-K60 HydrophobicContact CE1-CD 4.32Å; Y56-K60 PolarHBondContact O-N 2.99Å; E57-K60 PolarHBondContact O-N 3.19Å; K60-L62 PolarHBondContact O-N 3.35Å; K60-I63 PolarHBondContact O-N 3.41Å; K60-M64 VanDerWaalsContact O-CG 3.26Å; K60-M64 WeakPolarHBondContact O-CG 3.42Å; K60-M64 PolarHBondContact O-N 3.41Å; K60-L94 HydrophobicContact CB-CD2 3.87Å; K60-L94 HydrophobicContact CG-CD2 4.46Å
61E96.8Very high96.9Very high32 Ų3247.7 Ų47.715%0.1525%0.246CC..Hα-helixtrans-59.1-47.3177-176.865.4-143.800111.5L22 Q26 L29 E57 V59 I63 M64 Q65L22-E61 HydrophobicContact CD1-CB 3.83Å; L22-E61 HydrophobicContact CD1-CG 4.18Å; Q26-E61 HydrophobicContact CG-CG 3.83Å; Q26-E61 PolarHBondContact NE2-OE2 2.87Å; L29-E61 HydrophobicContact CD1-CG 4.25Å; E57-E61 WeakPolarHBondContact O-CB 3.42Å; E57-E61 PolarHBondContact O-N 3.1Å; V59-E61 PolarHBondContact O-N 3.34Å; E61-I63 VanDerWaalsContact C-N 3.31Å; E61-I63 PolarHBondContact O-N 3.14Å; E61-M64 PolarHBondContact O-N 3.37Å; E61-M64 VanDerWaalsContact O-N 3.17Å; E61-Q65 HydrophobicContact CG-CG 4.38Å; E61-Q65 WeakPolarHBondContact O-CB 3.18Å; E61-Q65 VanDerWaalsContact O-CG 3.22Å; E61-Q65 WeakPolarHBondContact O-CG 3.16Å; E61-Q65 PolarHBondContact O-N 3.15Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.43Å; E61-Q65 PolarHBondContact OE1-NE2 3.29Å
62L96.5Very high96.9Very high1 Ų151.2 Ų51.21%0.00526%0.263CS..Hα-helixtrans-60.6-40.5179.9-75.4163.1000112.3L25 L29 A46 L47 A50 C58 V59 K60 Q65 G66 A67L25-L62 HydrophobicContact CD1-CD2 4.33Å; L25-L62 HydrophobicContact CD2-CD1 4.18Å; L25-L62 HydrophobicContact CD2-CG 4.06Å; L29-L62 HydrophobicContact CD1-CD2 3.89Å; L29-L62 HydrophobicContact CD2-CD2 4.42Å; A46-L62 HydrophobicContact CB-CD1 3.98Å; A46-L62 HydrophobicContact CB-CD2 3.96Å; L47-L62 HydrophobicContact CB-CD1 4.41Å; L47-L62 HydrophobicContact CD1-CB 4.04Å; A50-L62 HydrophobicContact CB-CD1 4.16Å; C58-L62 WeakPolarHBondContact O-CB 3.49Å; C58-L62 WeakPolarHBondContact O-CD1 3.15Å; C58-L62 VanDerWaalsContact O-CG 3.25Å; C58-L62 WeakPolarHBondContact O-CG 3.38Å; C58-L62 PolarHBondContact O-N 3.35Å; V59-L62 PolarHBondContact O-N 2.98Å; K60-L62 PolarHBondContact O-N 3.35Å; L62-Q65 PolarHBondContact O-N 3.13Å; L62-G66 PolarHBondContact O-N 3.41Å; L62-A67 HydrophobicContact CB-CB 4.26Å; L62-A67 WeakPolarHBondContact O-CB 3.48Å; L62-A67 PolarHBondContact O-N 3.03Å
63I96.7Very high96.8Very high13 Ų1348.1 Ų48.17%0.06725%0.25CS..Hα-helixtrans-64.7-45.2175.4-67.1169.3000110.9L47 V59 K60 E61 Q65 G66 I69 L94 L95 F98L47-I63 HydrophobicContact CD1-CD1 4.37Å; L47-I63 HydrophobicContact CD1-CG1 3.9Å; L47-I63 HydrophobicContact CD2-CG1 4.46Å; V59-I63 HydrophobicContact CG1-CD1 3.78Å; V59-I63 WeakPolarHBondContact O-CG1 3.46Å; V59-I63 PolarHBondContact O-N 3.19Å; K60-I63 PolarHBondContact O-N 3.41Å; E61-I63 VanDerWaalsContact C-N 3.31Å; E61-I63 PolarHBondContact O-N 3.14Å; I63-Q65 PolarHBondContact O-N 3.02Å; I63-G66 PolarHBondContact O-N 3.33Å; I63-I69 HydrophobicContact CD1-CD1 4.48Å; I63-I69 HydrophobicContact CD1-CG1 4.48Å; I63-I69 HydrophobicContact CG1-CD1 4.33Å; I63-I69 HydrophobicContact CG1-CG1 4.1Å; I63-I69 HydrophobicContact CG2-CD1 3.96Å; I63-I69 HydrophobicContact CG2-CG1 4.48Å; I63-L94 HydrophobicContact CD1-CD2 4.36Å; I63-L94 HydrophobicContact CD1-CG 4.33Å; I63-L95 HydrophobicContact CD1-CD2 3.95Å; I63-F98 HydrophobicContact CG2-CB 3.92Å; I63-F98 HydrophobicContact CG2-CD1 3.36Å; I63-F98 HydrophobicContact CG2-CD2 4.05Å; I63-F98 HydrophobicContact CG2-CE1 3.75Å; I63-F98 HydrophobicContact CG2-CE2 4.41Å; I63-F98 HydrophobicContact CG2-CG 3.52Å; I63-F98 HydrophobicContact CG2-CZ 4.26Å
64M95.8Very high96.7Very high124 Ų12451.7 Ų51.761%0.61126%0.263SS*.Hα-helixtrans-63.5-29.4178.5-70.3-61.6-59.300112.8K60 E61 G66 F98K60-M64 VanDerWaalsContact O-CG 3.26Å; K60-M64 WeakPolarHBondContact O-CG 3.42Å; K60-M64 PolarHBondContact O-N 3.41Å; E61-M64 PolarHBondContact O-N 3.37Å; E61-M64 VanDerWaalsContact O-N 3.17Å; M64-G66 PolarHBondContact O-N 2.82Å; M64-F98 HydrophobicContact SD-CE1 4.08Å; M64-F98 HydrophobicContact SD-CZ 4.05Å
65Q94.4Very high96.6Very high78 Ų7853.2 Ų53.236%0.36427%0.268SS..THydrogen-bonded Turntrans-835.3174.9-63.8-73.5-1400113.1L29 N30 A36 E61 L62 I63L29-Q65 HydrophobicContact CB-CG 4.39Å; L29-Q65 HydrophobicContact CD1-CB 4.33Å; L29-Q65 HydrophobicContact CD1-CG 3.96Å; N30-Q65 PolarHBondContact OD1-NE2 3.48Å; A36-Q65 HydrophobicContact CB-CB 4.03Å; E61-Q65 HydrophobicContact CG-CG 4.38Å; E61-Q65 WeakPolarHBondContact O-CB 3.18Å; E61-Q65 VanDerWaalsContact O-CG 3.22Å; E61-Q65 WeakPolarHBondContact O-CG 3.16Å; E61-Q65 PolarHBondContact O-N 3.15Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.43Å; E61-Q65 PolarHBondContact OE1-NE2 3.29Å; L62-Q65 PolarHBondContact O-N 3.13Å; I63-Q65 PolarHBondContact O-N 3.02Å
66G93.2Very high96.5Very high56 Ų5651.2 Ų51.258%0.57726%0.261SS*.THydrogen-bonded Turntrans8921.9172.300000115.5L62 I63 M64L62-G66 PolarHBondContact O-N 3.41Å; I63-G66 PolarHBondContact O-N 3.33Å; M64-G66 PolarHBondContact O-N 2.82Å
67A95.4Very high96.5Very high8 Ų848 Ų487%0.06625%0.25CS..  trans-60.7137.7172.800000111.6A36 D37 L47 L62 I69A36-A67 HydrophobicContact CB-CB 4.16Å; D37-A67 WeakPolarHBondContact OD1-CA 3.49Å; L47-A67 HydrophobicContact CB-CB 4.42Å; L47-A67 HydrophobicContact CD2-CB 4.26Å; L62-A67 HydrophobicContact CB-CB 4.26Å; L62-A67 WeakPolarHBondContact O-CB 3.48Å; L62-A67 PolarHBondContact O-N 3.03Å; A67-I69 PolarHBondContact O-N 3.02Å; A67-I69 VanDerWaalsContact O-N 3.12Å
68D96.9Very high96.5Very high68 Ų6843.4 Ų43.436%0.36423%0.229SC..  trans-71.3105.7175.2179.83.2000110.7D37 N70 Y71D37-D68 PolarHBondContact OD1-N 3.17Å; D68-N70 PolarHBondContact O-N 3.39Å; D68-N70 PolarHBondContact OD1-N 3.01Å; D68-Y71 WeakPolarHBondContact O-CB 3.36Å; D68-Y71 PolarHBondContact O-N 3.43Å; D68-Y71 PolarHBondContact OD1-N 3.01Å
69I97Very high96.5Very high20 Ų2043.4 Ų43.410%0.10323%0.229CC..THydrogen-bonded Turntrans-61.5-33.7-179.2-64.3168.4000112L47 I63 A67 L95 F98 A100L47-I69 HydrophobicContact CD2-CG1 4.37Å; I63-I69 HydrophobicContact CD1-CD1 4.48Å; I63-I69 HydrophobicContact CD1-CG1 4.48Å; I63-I69 HydrophobicContact CG1-CD1 4.33Å; I63-I69 HydrophobicContact CG1-CG1 4.1Å; I63-I69 HydrophobicContact CG2-CD1 3.96Å; I63-I69 HydrophobicContact CG2-CG1 4.48Å; A67-I69 PolarHBondContact O-N 3.02Å; A67-I69 VanDerWaalsContact O-N 3.12Å; I69-L95 HydrophobicContact CG2-CD2 4.01Å; I69-F98 HydrophobicContact CD1-CB 3.32Å; I69-F98 HydrophobicContact CD1-CG 4.44Å; I69-F98 VanDerWaalsContact CD1-O 3.23Å; I69-F98 WeakPolarHBondContact CD1-O 3.38Å; I69-A100 HydrophobicContact CG2-CB 3.66Å
70N97.4Very high96.5Very high54 Ų5443.5 Ų43.529%0.28923%0.23SC..THydrogen-bonded Turntrans-99.65.6-172.4-74-44000112.4D68 Q72 G99 S101 L104D68-N70 PolarHBondContact O-N 3.39Å; D68-N70 PolarHBondContact OD1-N 3.01Å; N70-Q72 PolarHBondContact O-N 3.27Å; N70-G99 PolarHBondContact ND2-O 3.31Å; N70-G99 VanDerWaalsContact ND2-O 3.08Å; N70-S101 PolarHBondContact OD1-N 3Å; N70-L104 HydrophobicContact CB-CD1 3.79Å; N70-L104 WeakPolarHBondContact O-CD1 3.47Å
71Y97.3Very high96.6Very high55 Ų5540.7 Ų40.722%0.21622%0.217CC..  trans-58.2134.1176.3-171.8-98.1000111.5R39 G43 T45 M48 D68R39-Y71 HydrophobicContact CG-CE1 4.38Å; R39-Y71 VanDerWaalsContact CZ-CZ 3.42Å; R39-Y71 VanDerWaalsContact NH1-CZ 3.3Å; R39-Y71 PolarHBondContact NH1-OH 3.43Å; G43-Y71 VanDerWaalsContact O-CE1 3.27Å; G43-Y71 WeakPolarHBondContact O-CE1 3.31Å; T45-Y71 HydrophobicContact CG2-CD1 3.61Å; T45-Y71 HydrophobicContact CG2-CE1 4.2Å; T45-Y71 HydrophobicContact CG2-CG 4.22Å; M48-Y71 HydrophobicContact CE-CD1 3.78Å; M48-Y71 WeakPolarHBondContact CE-O 3.27Å; D68-Y71 WeakPolarHBondContact O-CB 3.36Å; D68-Y71 PolarHBondContact O-N 3.43Å; D68-Y71 PolarHBondContact OD1-N 3.01Å
72Q97Very high96.6Very high74 Ų7440.7 Ų40.735%0.34622%0.217SC..  trans-105.9125.5176.8-67-172.9-75.600110.3N70 G76 T78 R105N70-Q72 PolarHBondContact O-N 3.27Å; Q72-G76 PolarHBondContact NE2-O 2.96Å; Q72-T78 HydrophobicContact CG-CG2 3.79Å; Q72-R105 PolarHBondContact NE2-O 3.2Å
73R95.8Very high96.7Very high42 Ų4240.6 Ų40.616%0.15822%0.217CC..  trans-68.2176.9169.566.5171.5-83.1114.3-5.8110.4Y42 G43 T44 M48 T75 G76 S77Y42-R73 VanDerWaalsContact CB-NH2 3.33Å; G43-R73 WeakPolarHBondContact O-CB 3.5Å; T44-R73 PolarHBondContact OG1-NH1 3.49Å; M48-R73 HydrophobicContact CE-CB 4.12Å; M48-R73 HydrophobicContact SD-CB 4.02Å; M48-R73 HydrophobicContact SD-CG 4.37Å; R73-T75 VanDerWaalsContact CD-OG1 3.27Å; R73-T75 WeakPolarHBondContact CD-OG1 3.41Å; R73-T75 VanDerWaalsContact CG-OG1 3.29Å; R73-T75 WeakPolarHBondContact CG-OG1 3.29Å; R73-T75 PolarHBondContact NE-OG1 2.93Å; R73-T75 VanDerWaalsContact NE-OG1 3.11Å; R73-T75 PolarHBondContact O-N 2.71Å; R73-G76 WeakPolarHBondContact O-CA 3.44Å; R73-G76 PolarHBondContact O-N 3.43Å; R73-S77 WeakPolarHBondContact CG-O 3.46Å; R73-S77 PolarHBondContact N-O 2.72Å
74E95.9Very high96.8Very high111 Ų11140 Ų4052%0.51921%0.213SC..THydrogen-bonded Turntrans-55.2-26.7-178.5-72.5-179.1170.500115.1Y42 G76 K107Y42-E74 WeakPolarHBondContact O-CG 3.43Å; Y42-E74 PolarHBondContact O-N 2.98Å; Y42-E74 VanDerWaalsContact O-N 3.09Å; E74-G76 VanDerWaalsContact C-N 3.3Å; E74-K107 WeakPolarHBondContact O-CD 3.24Å; E74-K107 WeakPolarHBondContact O-CE 3.37Å; E74-K107 PolarHBondContact O-NZ 3.27Å
75T95.6Very high96.9Very high58 Ų5835.7 Ų35.736%0.35619%0.192SC..THydrogen-bonded Turntrans-82.7-4.617657.60000113.6R73 S77 T106 K107R73-T75 VanDerWaalsContact CD-OG1 3.27Å; R73-T75 WeakPolarHBondContact CD-OG1 3.41Å; R73-T75 VanDerWaalsContact CG-OG1 3.29Å; R73-T75 WeakPolarHBondContact CG-OG1 3.29Å; R73-T75 PolarHBondContact NE-OG1 2.93Å; R73-T75 VanDerWaalsContact NE-OG1 3.11Å; R73-T75 PolarHBondContact O-N 2.71Å; T75-S77 VanDerWaalsContact C-N 3.33Å; T75-S77 PolarHBondContact OG1-OG 2.9Å; T75-T106 CarbonylContact O-C 3.52Å; T75-T106 VanDerWaalsContact O-CA 3.23Å; T75-T106 WeakPolarHBondContact O-CA 3.28Å; T75-T106 VanDerWaalsContact O-CB 3.29Å; T75-T106 WeakPolarHBondContact O-CB 3.37Å; T75-K107 PolarHBondContact O-N 3.16Å
76G96.4Very high97.1Very high11 Ų1134.4 Ų34.411%0.11319%0.186CC..SBendtrans832.4-172.600000114.4Q72 R73 E74Q72-G76 PolarHBondContact NE2-O 2.96Å; R73-G76 WeakPolarHBondContact O-CA 3.44Å; R73-G76 PolarHBondContact O-N 3.43Å; E74-G76 VanDerWaalsContact C-N 3.3Å
77S97.3Very high97.3Very high9 Ų932.7 Ų32.76%0.06317%0.168CC..  trans-76.4143.8-179.8-47.90000111.9M48 R73 T75 T106M48-S77 VanDerWaalsContact CE-O 3.32Å; M48-S77 WeakPolarHBondContact CE-O 3.4Å; R73-S77 WeakPolarHBondContact CG-O 3.46Å; R73-S77 PolarHBondContact N-O 2.72Å; T75-S77 VanDerWaalsContact C-N 3.33Å; T75-S77 PolarHBondContact OG1-OG 2.9Å; S77-T106 WeakPolarHBondContact OG-CG2 3.41Å
78T97.9Very high97.4Very high8 Ų835 Ų355%0.04918%0.178CC..  trans-110.1174.8178.262.60000111.6Q72 L80 F81 F82 L104Q72-T78 HydrophobicContact CG-CG2 3.79Å; T78-L80 VanDerWaalsContact C-N 3.28Å; T78-L80 PolarHBondContact O-N 3.38Å; T78-L80 PolarHBondContact OG1-N 3.34Å; T78-F81 WeakPolarHBondContact O-CB 3.4Å; T78-F81 PolarHBondContact O-N 3.24Å; T78-F81 PolarHBondContact OG1-N 3.43Å; T78-F81 VanDerWaalsContact OG1-N 3.15Å; T78-F82 VanDerWaalsContact O-CD2 3.24Å; T78-F82 WeakPolarHBondContact O-CD2 3.29Å; T78-F82 PolarHBondContact O-N 3.5Å; T78-L104 HydrophobicContact CG2-CB 3.94Å; T78-L104 HydrophobicContact CG2-CD1 3.6Å; T78-L104 HydrophobicContact CG2-CG 4.42Å
79A97.8Very high97.4Very high1 Ų135.4 Ų35.41%0.00818%0.177CC..Hα-helixtrans-57.9-41.5169.300000112.1L47 M48 F81 F82 A83 L95L47-A79 HydrophobicContact CD2-CB 3.94Å; L47-A79 HydrophobicContact CG-CB 3.78Å; M48-A79 HydrophobicContact CG-CB 4.34Å; A79-F81 VanDerWaalsContact C-N 3.33Å; A79-F81 PolarHBondContact O-N 3.23Å; A79-F82 PolarHBondContact O-N 2.99Å; A79-A83 PolarHBondContact O-N 3.42Å; A79-L95 HydrophobicContact CB-CD1 4.4Å; A79-L95 HydrophobicContact CB-CD2 4.29Å
80L98.4Very high97.4Very high3 Ų338.4 Ų38.42%0.01619%0.193CC..Hα-helixtrans-60.3-41175.7-179.565.6000112T78 F82 S84 V92 L95 F96 A100 S101 A112 L128T78-L80 VanDerWaalsContact C-N 3.28Å; T78-L80 PolarHBondContact O-N 3.38Å; T78-L80 PolarHBondContact OG1-N 3.34Å; L80-F82 PolarHBondContact O-N 3.28Å; L80-S84 WeakPolarHBondContact O-CB 3.32Å; L80-S84 PolarHBondContact O-N 3.15Å; L80-S84 PolarHBondContact O-OG 3.24Å; L80-V92 HydrophobicContact CD1-CB 4.38Å; L80-V92 HydrophobicContact CD1-CG1 3.87Å; L80-V92 HydrophobicContact CD1-CG2 4.24Å; L80-L95 HydrophobicContact CB-CD1 4.21Å; L80-L95 HydrophobicContact CD1-CB 4.44Å; L80-L95 HydrophobicContact CD1-CD1 4.27Å; L80-F96 HydrophobicContact CD1-CE2 4.15Å; L80-F96 HydrophobicContact CD1-CZ 4.14Å; L80-F96 HydrophobicContact CD2-CE1 4.02Å; L80-F96 HydrophobicContact CD2-CZ 3.85Å; L80-A100 HydrophobicContact CB-CB 4.49Å; L80-A100 HydrophobicContact CD2-CB 4.19Å; L80-S101 WeakPolarHBondContact CD2-O 3.46Å; L80-A112 HydrophobicContact CD2-CB 3.97Å; L80-A112 HydrophobicContact CG-CB 3.83Å; L80-L128 HydrophobicContact CD1-CD2 4.3Å; L80-L128 HydrophobicContact CD2-CD2 4.41Å
81F98.3Very high97.5Very high28 Ų2836 Ų3612%0.12318%0.181CC..Hα-helixtrans-58.1-48.8176.3-174.3-83.2000111.4T78 A79 S84 Q85 T106 V115T78-F81 WeakPolarHBondContact O-CB 3.4Å; T78-F81 PolarHBondContact O-N 3.24Å; T78-F81 PolarHBondContact OG1-N 3.43Å; T78-F81 VanDerWaalsContact OG1-N 3.15Å; A79-F81 VanDerWaalsContact C-N 3.33Å; A79-F81 PolarHBondContact O-N 3.23Å; F81-S84 PolarHBondContact O-N 3.23Å; F81-Q85 WeakPolarHBondContact O-CB 3.37Å; F81-Q85 PolarHBondContact O-N 3.14Å; F81-T106 HydrophobicContact CD2-CG2 3.81Å; F81-T106 HydrophobicContact CE2-CG2 3.48Å; F81-T106 VanDerWaalsContact CE2-CG2 3.48Å; F81-T106 HydrophobicContact CG-CG2 4.48Å; F81-T106 HydrophobicContact CZ-CG2 3.9Å; F81-V115 HydrophobicContact CD1-CG1 4.38Å; F81-V115 HydrophobicContact CD2-CB 4.48Å; F81-V115 HydrophobicContact CD2-CG1 3.98Å; F81-V115 HydrophobicContact CE1-CB 4.27Å; F81-V115 HydrophobicContact CE1-CG1 4.27Å; F81-V115 HydrophobicContact CE1-CG2 4.02Å; F81-V115 HydrophobicContact CE2-CB 3.86Å; F81-V115 HydrophobicContact CE2-CG1 3.86Å; F81-V115 HydrophobicContact CE2-CG2 4.46Å; F81-V115 HydrophobicContact CG-CG1 4.23Å; F81-V115 HydrophobicContact CZ-CB 3.74Å; F81-V115 HydrophobicContact CZ-CG1 4.01Å; F81-V115 HydrophobicContact CZ-CG2 3.84Å
82F98.2Very high97.5Very high32 Ų3233.4 Ų33.414%0.1417%0.17CC..Hα-helixtrans-69.4-41.3-178.9-71-60.1000113.5M48 Y52 T78 A79 L80 S84 Q85 Q86M48-F82 HydrophobicContact CB-CD2 3.81Å; M48-F82 HydrophobicContact CB-CE2 4.03Å; M48-F82 HydrophobicContact CG-CD2 3.98Å; M48-F82 HydrophobicContact CG-CE2 4.09Å; M48-F82 HydrophobicContact SD-CD2 4.48Å; M48-F82 HydrophobicContact SD-CE2 3.99Å; Y52-F82 HydrophobicContact CD2-CB 4.18Å; Y52-F82 AromaticContact CD2-CD1 3.74Å; Y52-F82 HydrophobicContact CD2-CD1 3.74Å; Y52-F82 HydrophobicContact CD2-CG 4.26Å; Y52-F82 HydrophobicContact CE2-CD1 4.42Å; T78-F82 VanDerWaalsContact O-CD2 3.24Å; T78-F82 WeakPolarHBondContact O-CD2 3.29Å; T78-F82 PolarHBondContact O-N 3.5Å; A79-F82 PolarHBondContact O-N 2.99Å; L80-F82 PolarHBondContact O-N 3.28Å; F82-S84 VanDerWaalsContact C-N 3.25Å; F82-S84 PolarHBondContact O-N 3.12Å; F82-Q85 PolarHBondContact O-N 2.96Å; F82-Q86 PolarHBondContact O-N 3.44Å
83A98.4Very high97.6Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-59.9-40.8173.600000111.1A79 Q86 G87 H88 I91 V92 L95A79-A83 PolarHBondContact O-N 3.42Å; A83-Q86 PolarHBondContact O-N 3.28Å; A83-G87 PolarHBondContact O-N 3.46Å; A83-H88 PolarHBondContact O-N 2.81Å; A83-H88 VanDerWaalsContact O-N 3.08Å; A83-I91 HydrophobicContact CB-CB 4.32Å; A83-I91 HydrophobicContact CB-CG2 3.65Å; A83-V92 HydrophobicContact CB-CG2 3.78Å; A83-L95 HydrophobicContact CB-CD1 4.16Å
84S98.4Very high97.7Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-68.8-38.8-179.7-61.80000112.9L80 F81 F82 Q86 G87 R121L80-S84 WeakPolarHBondContact O-CB 3.32Å; L80-S84 PolarHBondContact O-N 3.15Å; L80-S84 PolarHBondContact O-OG 3.24Å; F81-S84 PolarHBondContact O-N 3.23Å; F82-S84 VanDerWaalsContact C-N 3.25Å; F82-S84 PolarHBondContact O-N 3.12Å; S84-Q86 VanDerWaalsContact C-N 3.34Å; S84-Q86 PolarHBondContact O-N 3.26Å; S84-G87 PolarHBondContact O-N 2.64Å; S84-R121 WeakPolarHBondContact O-CG 3.46Å
85Q97.8Very high97.8Very high33 Ų3327.2 Ų27.215%0.15414%0.142CC..Hα-helixtrans-58.9-45.5173.8-177.9177.6-54.600111.7F81 F82 V115 Y119 R121F81-Q85 WeakPolarHBondContact O-CB 3.37Å; F81-Q85 PolarHBondContact O-N 3.14Å; F82-Q85 PolarHBondContact O-N 2.96Å; Q85-V115 HydrophobicContact CB-CG1 4.23Å; Q85-V115 HydrophobicContact CB-CG2 3.6Å; Q85-V115 HydrophobicContact CG-CG2 3.68Å; Q85-Y119 HydrophobicContact CG-CD2 3.78Å; Q85-Y119 HydrophobicContact CG-CE2 3.59Å; Q85-R121 PolarHBondContact O-NE 3.31Å; Q85-R121 VanDerWaalsContact O-NE 3.16Å
86Q98Very high97.9Very high51 Ų5125.7 Ų25.724%0.23813%0.13CC..Hα-helixtrans-82.9-16.5-175.6-62.5-60.2-1500113.6Y52 F82 A83 S84 H88Y52-Q86 HydrophobicContact CD2-CG 3.93Å; Y52-Q86 HydrophobicContact CE2-CG 4.06Å; Y52-Q86 HydrophobicContact CG-CG 4.32Å; Y52-Q86 WeakPolarHBondContact O-CG 3.29Å; Y52-Q86 PolarHBondContact OH-NE2 3.23Å; F82-Q86 PolarHBondContact O-N 3.44Å; A83-Q86 PolarHBondContact O-N 3.28Å; S84-Q86 VanDerWaalsContact C-N 3.34Å; S84-Q86 PolarHBondContact O-N 3.26Å; Q86-H88 WeakPolarHBondContact CB-NE2 3.27Å
87G97.6Very high98Very high21 Ų2132 Ų3222%0.21616%0.157CC..THydrogen-bonded Turntrans87.819.5176.900000114A83 S84 H89A83-G87 PolarHBondContact O-N 3.46Å; S84-G87 PolarHBondContact O-N 2.64Å; G87-H89 VanDerWaalsContact C-N 3.31Å; G87-H89 PolarHBondContact O-N 2.77Å
88H98.2Very high97.9Very high56 Ų5635.9 Ų35.926%0.25917%0.173SC..  trans-77.379.9-178.1-61.5-46.5000110.9S51 Y52 G54 A83 Q86 D90 I91 V92S51-H88 PolarHBondContact O-CD2 3.04Å; Y52-H88 PolarHBondContact O-NE2 3.42Å; Y52-H88 VanDerWaalsContact O-NE2 3.07Å; G54-H88 VanDerWaalsContact CA-CD2 3.41Å; G54-H88 WeakPolarHBondContact CA-CD2 3.39Å; G54-H88 VanDerWaalsContact CA-NE2 3.28Å; G54-H88 WeakPolarHBondContact CA-NE2 3.34Å; G54-H88 PolarHBondContact N-NE2 3.11Å; A83-H88 PolarHBondContact O-N 2.81Å; A83-H88 VanDerWaalsContact O-N 3.08Å; Q86-H88 WeakPolarHBondContact CB-NE2 3.27Å; H88-D90 VanDerWaalsContact C-N 3.32Å; H88-D90 PolarHBondContact O-N 2.97Å; H88-I91 HydrophobicContact CB-CB 4.08Å; H88-I91 HydrophobicContact CB-CD1 3.96Å; H88-I91 HydrophobicContact CB-CG1 4.28Å; H88-I91 PolarHBondContact O-N 3.48Å; H88-V92 WeakPolarHBondContact O-CG2 3.44Å; H88-V92 PolarHBondContact O-N 3.09Å
89H96.4Very high97.8Very high77 Ų7737.7 Ų37.736%0.35619%0.193SC..Hα-helixtrans-59.9-36.1-170.367.773.5000114.2G87 V92 K93 A123 V124G87-H89 VanDerWaalsContact C-N 3.31Å; G87-H89 PolarHBondContact O-N 2.77Å; H89-V92 PolarHBondContact O-N 3.14Å; H89-K93 WeakPolarHBondContact O-CG 3.4Å; H89-K93 PolarHBondContact O-N 2.78Å; H89-A123 HydrophobicContact CB-CB 4.24Å; H89-V124 HydrophobicContact CB-CG2 4.31Å
90D97.9Very high97.8Very high82 Ų8238.1 Ų38.144%0.43920%0.197SC..Hα-helixtrans-70.6-36.3-179.9-66.9-34.7000111.7Y56 H88 K93 L94Y56-D90 HydrophobicContact CD2-CB 3.95Å; Y56-D90 HydrophobicContact CE2-CB 4.11Å; H88-D90 VanDerWaalsContact C-N 3.32Å; H88-D90 PolarHBondContact O-N 2.97Å; D90-K93 PolarHBondContact O-N 3.09Å; D90-L94 WeakPolarHBondContact O-CB 3.38Å; D90-L94 PolarHBondContact O-N 3Å
91I98.5Very high97.7Very high4 Ų440 Ų402%0.02121%0.21CC..Hα-helixtrans-66.3-42.2173.1-67.7176.1000110.3G54 Y56 V59 A83 H88 K93 L94 L95G54-I91 VanDerWaalsContact C-CD1 3.48Å; Y56-I91 HydrophobicContact CD2-CG1 4.13Å; V59-I91 HydrophobicContact CG1-CG2 4.15Å; V59-I91 HydrophobicContact CG2-CD1 4.04Å; V59-I91 HydrophobicContact CG2-CG1 4.35Å; V59-I91 HydrophobicContact CG2-CG2 4.14Å; A83-I91 HydrophobicContact CB-CB 4.32Å; A83-I91 HydrophobicContact CB-CG2 3.65Å; H88-I91 HydrophobicContact CB-CB 4.08Å; H88-I91 HydrophobicContact CB-CD1 3.96Å; H88-I91 HydrophobicContact CB-CG1 4.28Å; H88-I91 PolarHBondContact O-N 3.48Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.98Å; I91-L94 PolarHBondContact O-N 3.1Å; I91-L95 HydrophobicContact CG2-CD1 3.8Å; I91-L95 HydrophobicContact CG2-CG 4.2Å; I91-L95 WeakPolarHBondContact O-CB 3.47Å; I91-L95 WeakPolarHBondContact O-CG 3.23Å; I91-L95 PolarHBondContact O-N 2.9Å
92V98.5Very high97.5Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-60.5-43.7176.7170.80000111.2L80 A83 H88 H89 L95 F96 V124 V127 L128L80-V92 HydrophobicContact CD1-CB 4.38Å; L80-V92 HydrophobicContact CD1-CG1 3.87Å; L80-V92 HydrophobicContact CD1-CG2 4.24Å; A83-V92 HydrophobicContact CB-CG2 3.78Å; H88-V92 WeakPolarHBondContact O-CG2 3.44Å; H88-V92 PolarHBondContact O-N 3.09Å; H89-V92 PolarHBondContact O-N 3.14Å; V92-L95 PolarHBondContact O-N 2.91Å; V92-F96 HydrophobicContact CG1-CD2 3.96Å; V92-F96 HydrophobicContact CG1-CE2 3.65Å; V92-F96 WeakPolarHBondContact O-CD2 3.4Å; V92-F96 PolarHBondContact O-N 2.84Å; V92-F96 VanDerWaalsContact O-N 3.16Å; V92-V124 HydrophobicContact CG1-CG1 4.43Å; V92-V124 HydrophobicContact CG2-CG1 4.13Å; V92-V124 HydrophobicContact CG2-CG2 4.07Å; V92-V127 HydrophobicContact CG1-CB 4.34Å; V92-V127 HydrophobicContact CG1-CG1 3.88Å; V92-L128 HydrophobicContact CG1-CD2 4.38Å
93K98.3Very high97.2Very high95 Ų9542.8 Ų42.841%0.41323%0.225SC..Hα-helixtrans-61.4-48.7174.9-72.2175-177.3174.20111.8H89 D90 I91 L95 F96 E97 V127H89-K93 WeakPolarHBondContact O-CG 3.4Å; H89-K93 PolarHBondContact O-N 2.78Å; D90-K93 PolarHBondContact O-N 3.09Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.98Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 3.1Å; K93-F96 PolarHBondContact O-N 3.49Å; K93-F96 VanDerWaalsContact O-N 3.1Å; K93-E97 WeakPolarHBondContact O-CG 3.22Å; K93-E97 PolarHBondContact O-N 3.24Å; K93-V127 HydrophobicContact CG-CG1 4.02Å; K93-V127 HydrophobicContact CG-CG2 4.05Å
94L98.3Very high97.1Very high3 Ų345 Ų452%0.01624%0.237CC..Hα-helixtrans-57.3-45.3177.4-179.769.6000111.5Y56 V59 K60 I63 D90 I91 F96 E97 F98Y56-L94 HydrophobicContact CD2-CD2 4.18Å; Y56-L94 HydrophobicContact CE2-CB 3.88Å; Y56-L94 HydrophobicContact CE2-CD2 3.78Å; Y56-L94 HydrophobicContact CE2-CG 4.28Å; V59-L94 HydrophobicContact CB-CD2 4.36Å; V59-L94 HydrophobicContact CG1-CD2 3.82Å; K60-L94 HydrophobicContact CB-CD2 3.87Å; K60-L94 HydrophobicContact CG-CD2 4.46Å; I63-L94 HydrophobicContact CD1-CD2 4.36Å; I63-L94 HydrophobicContact CD1-CG 4.33Å; D90-L94 WeakPolarHBondContact O-CB 3.38Å; D90-L94 PolarHBondContact O-N 3Å; I91-L94 PolarHBondContact O-N 3.1Å; L94-F96 VanDerWaalsContact C-N 3.27Å; L94-F96 PolarHBondContact O-N 3.05Å; L94-E97 WeakPolarHBondContact O-CB 3.45Å; L94-E97 PolarHBondContact O-N 3.43Å; L94-F98 HydrophobicContact CD1-CD2 3.95Å; L94-F98 HydrophobicContact CD1-CE2 3.59Å; L94-F98 HydrophobicContact CG-CD2 4.41Å; L94-F98 HydrophobicContact CG-CE2 4.46Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 3.03Å
95L98Very high97Very high0 Ų049.7 Ų49.70%025%0.254CS..Hα-helixtrans-60-38.3178-71.6169.5000111.6V59 I63 I69 A79 L80 A83 I91 V92 K93 F98 G99 A100V59-L95 HydrophobicContact CG1-CD2 4.33Å; I63-L95 HydrophobicContact CD1-CD2 3.95Å; I69-L95 HydrophobicContact CG2-CD2 4.01Å; A79-L95 HydrophobicContact CB-CD1 4.4Å; A79-L95 HydrophobicContact CB-CD2 4.29Å; L80-L95 HydrophobicContact CB-CD1 4.21Å; L80-L95 HydrophobicContact CD1-CB 4.44Å; L80-L95 HydrophobicContact CD1-CD1 4.27Å; A83-L95 HydrophobicContact CB-CD1 4.16Å; I91-L95 HydrophobicContact CG2-CD1 3.8Å; I91-L95 HydrophobicContact CG2-CG 4.2Å; I91-L95 WeakPolarHBondContact O-CB 3.47Å; I91-L95 WeakPolarHBondContact O-CG 3.23Å; I91-L95 PolarHBondContact O-N 2.9Å; V92-L95 PolarHBondContact O-N 2.91Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 3.1Å; L95-F98 PolarHBondContact O-N 3.24Å; L95-G99 PolarHBondContact O-N 3.07Å; L95-A100 HydrophobicContact CB-CB 3.87Å; L95-A100 WeakPolarHBondContact O-CB 3.17Å; L95-A100 PolarHBondContact O-N 2.94Å
96F98.1Very high96.9Very high26 Ų2648.9 Ų48.911%0.11425%0.252CS..Hα-helixtrans-69.5-38.8174.3-76.9-54.9000113.8L80 V92 K93 L94 F98 G99 A100 T102 V127 L128 N131L80-F96 HydrophobicContact CD1-CE2 4.15Å; L80-F96 HydrophobicContact CD1-CZ 4.14Å; L80-F96 HydrophobicContact CD2-CE1 4.02Å; L80-F96 HydrophobicContact CD2-CZ 3.85Å; V92-F96 HydrophobicContact CG1-CD2 3.96Å; V92-F96 HydrophobicContact CG1-CE2 3.65Å; V92-F96 WeakPolarHBondContact O-CD2 3.4Å; V92-F96 PolarHBondContact O-N 2.84Å; V92-F96 VanDerWaalsContact O-N 3.16Å; K93-F96 PolarHBondContact O-N 3.49Å; K93-F96 VanDerWaalsContact O-N 3.1Å; L94-F96 VanDerWaalsContact C-N 3.27Å; L94-F96 PolarHBondContact O-N 3.05Å; F96-F98 PolarHBondContact O-N 3.29Å; F96-F98 VanDerWaalsContact O-N 3.14Å; F96-G99 PolarHBondContact O-N 2.98Å; F96-A100 HydrophobicContact CD1-CB 4.27Å; F96-A100 WeakPolarHBondContact CD1-O 3.32Å; F96-A100 WeakPolarHBondContact CE1-O 3.42Å; F96-T102 HydrophobicContact CE1-CG2 3.66Å; F96-T102 HydrophobicContact CZ-CG2 3.77Å; F96-V127 HydrophobicContact CD2-CG1 3.8Å; F96-V127 HydrophobicContact CE2-CG1 3.96Å; F96-L128 HydrophobicContact CE2-CD2 3.76Å; F96-L128 HydrophobicContact CZ-CD2 3.6Å; F96-N131 HydrophobicContact CD1-CB 3.97Å; F96-N131 HydrophobicContact CD2-CB 4.17Å; F96-N131 HydrophobicContact CE1-CB 3.86Å; F96-N131 HydrophobicContact CE2-CB 4.02Å; F96-N131 HydrophobicContact CG-CB 4.14Å; F96-N131 HydrophobicContact CZ-CB 3.87Å
97E97.1Very high96.9Very high144 Ų14453.6 Ų53.667%0.67327%0.272SS*.Hα-helixtrans-55.8-30.8175.1-71.9170.7-170.800112.1K93 L94K93-E97 WeakPolarHBondContact O-CG 3.22Å; K93-E97 PolarHBondContact O-N 3.24Å; L94-E97 WeakPolarHBondContact O-CB 3.45Å; L94-E97 PolarHBondContact O-N 3.43Å
98F96.7Very high96.7Very high90 Ų9057.9 Ų57.940%0.39529%0.289SS..THydrogen-bonded Turntrans-101.513177.9-71.2-95.3000114.4I63 M64 I69 L94 L95 F96I63-F98 HydrophobicContact CG2-CB 3.92Å; I63-F98 HydrophobicContact CG2-CD1 3.36Å; I63-F98 HydrophobicContact CG2-CD2 4.05Å; I63-F98 HydrophobicContact CG2-CE1 3.75Å; I63-F98 HydrophobicContact CG2-CE2 4.41Å; I63-F98 HydrophobicContact CG2-CG 3.52Å; I63-F98 HydrophobicContact CG2-CZ 4.26Å; M64-F98 HydrophobicContact SD-CE1 4.08Å; M64-F98 HydrophobicContact SD-CZ 4.05Å; I69-F98 HydrophobicContact CD1-CB 3.32Å; I69-F98 HydrophobicContact CD1-CG 4.44Å; I69-F98 VanDerWaalsContact CD1-O 3.23Å; I69-F98 WeakPolarHBondContact CD1-O 3.38Å; L94-F98 HydrophobicContact CD1-CD2 3.95Å; L94-F98 HydrophobicContact CD1-CE2 3.59Å; L94-F98 HydrophobicContact CG-CD2 4.41Å; L94-F98 HydrophobicContact CG-CE2 4.46Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 3.03Å; L95-F98 PolarHBondContact O-N 3.24Å; F96-F98 PolarHBondContact O-N 3.29Å; F96-F98 VanDerWaalsContact O-N 3.14Å
99G95.3Very high96.6Very high46 Ų4655.5 Ų55.547%0.47428%0.28SS..THydrogen-bonded Turntrans90.131.5169.400000116.2N70 L95 F96N70-G99 PolarHBondContact ND2-O 3.31Å; N70-G99 VanDerWaalsContact ND2-O 3.08Å; L95-G99 PolarHBondContact O-N 3.07Å; F96-G99 PolarHBondContact O-N 2.98Å
100A97.1Very high96.5Very high10 Ų1052 Ų528%0.08327%0.265CS..  trans-61.4135.6168.600000112I69 L80 L95 F96I69-A100 HydrophobicContact CG2-CB 3.66Å; L80-A100 HydrophobicContact CB-CB 4.49Å; L80-A100 HydrophobicContact CD2-CB 4.19Å; L95-A100 HydrophobicContact CB-CB 3.87Å; L95-A100 WeakPolarHBondContact O-CB 3.17Å; L95-A100 PolarHBondContact O-N 2.94Å; F96-A100 HydrophobicContact CD1-CB 4.27Å; F96-A100 WeakPolarHBondContact CD1-O 3.32Å; F96-A100 WeakPolarHBondContact CE1-O 3.42Å
101S96.4Very high96.5Very high41 Ų4148.3 Ų48.329%0.28725%0.245SC..  trans-87.8135.7179.3177.10000112.4N70 L80 E103N70-S101 PolarHBondContact OD1-N 3Å; L80-S101 WeakPolarHBondContact CD2-O 3.46Å; S101-E103 VanDerWaalsContact C-N 3.33Å; S101-E103 PolarHBondContact OG-N 3.4Å
102T94.2Very high96.4Very high24 Ų2448.4 Ų48.415%0.14725%0.246CC..SBendtrans-77.4-18.2171.349.30000113.6F96 A133F96-T102 HydrophobicContact CE1-CG2 3.66Å; F96-T102 HydrophobicContact CZ-CG2 3.77Å; T102-A133 HydrophobicContact CG2-CB 3.91Å
103E93.1Very high96.4Very high96 Ų9648.4 Ų48.445%0.44925%0.247SC..  trans-89.2-9-167.1-57.1-51.5117.100113.6S101S101-E103 VanDerWaalsContact C-N 3.33Å; S101-E103 PolarHBondContact OG-N 3.4Å
104L95.7Very high96.4Very high46 Ų4644.1 Ų44.124%0.24123%0.228CC..  trans-73.1132.1-177.8-64.1174.2000111.2N70 T78N70-L104 HydrophobicContact CB-CD1 3.79Å; N70-L104 WeakPolarHBondContact O-CD1 3.47Å; T78-L104 HydrophobicContact CG2-CB 3.94Å; T78-L104 HydrophobicContact CG2-CD1 3.6Å; T78-L104 HydrophobicContact CG2-CG 4.42Å
105R95.8Very high96.3Very high98 Ų9844.1 Ų44.137%0.3723%0.229SC..  trans-117.7144-173.6-63.4176.5-171.4-1138113.1Q72 G110 T111 E137Q72-R105 PolarHBondContact NE2-O 3.2Å; R105-G110 CarbonylContact C-O 3.52Å; R105-G110 VanDerWaalsContact CA-O 3.29Å; R105-G110 WeakPolarHBondContact CA-O 3.43Å; R105-T111 HydrophobicContact CG-CG2 4.02Å; R105-E137 VanDerWaalsContact CZ-CD 3.49Å; R105-E137 IonicContact CZ-OE1 2.69Å; R105-E137 IonicContact CZ-OE2 3.52Å; R105-E137 IonicContact NH1-OE2 2.68Å; R105-E137 PolarHBondContact NH1-OE2 2.89Å; R105-E137 IonicContact NH2-OE1 3.66Å; R105-E137 PolarHBondContact NH2-OE1 2.86Å; R105-E137 IonicContact NH2-OE2 3.69Å; R105-E137 PolarHBondContact NH2-OE2 3.4Å
106T96.9Very high96.3Very high16 Ų1644.1 Ų44.110%0.09823%0.229CC..  trans-69.1165.6162.768.90000111T75 S77 F81 D108 G109 G110T75-T106 CarbonylContact O-C 3.52Å; T75-T106 VanDerWaalsContact O-CA 3.23Å; T75-T106 WeakPolarHBondContact O-CA 3.28Å; T75-T106 VanDerWaalsContact O-CB 3.29Å; T75-T106 WeakPolarHBondContact O-CB 3.37Å; S77-T106 WeakPolarHBondContact OG-CG2 3.41Å; F81-T106 HydrophobicContact CD2-CG2 3.81Å; F81-T106 HydrophobicContact CE2-CG2 3.48Å; F81-T106 VanDerWaalsContact CE2-CG2 3.48Å; F81-T106 HydrophobicContact CG-CG2 4.48Å; F81-T106 HydrophobicContact CZ-CG2 3.9Å; T106-D108 PolarHBondContact O-N 3.45Å; T106-D108 VanDerWaalsContact O-N 3.14Å; T106-G109 PolarHBondContact O-N 2.87Å; T106-G110 PolarHBondContact N-O 2.92Å; T106-G110 WeakPolarHBondContact OG1-CA 3.37Å; T106-G110 PolarHBondContact OG1-N 3.04Å; T106-G110 PolarHBondContact OG1-O 3.08Å
107K96.4Very high96.4Very high151 Ų15142.9 Ų42.966%0.65722%0.223SC*.THydrogen-bonded Turntrans-56.8-25.9174.5-74.8179.5166.9164.80113.4E74 T75 G109 N140E74-K107 WeakPolarHBondContact O-CD 3.24Å; E74-K107 WeakPolarHBondContact O-CE 3.37Å; E74-K107 PolarHBondContact O-NZ 3.27Å; T75-K107 PolarHBondContact O-N 3.16Å; K107-G109 VanDerWaalsContact C-N 3.27Å; K107-G109 PolarHBondContact O-N 2.93Å; K107-N140 PolarHBondContact O-ND2 2.89Å
108D94.5Very high96.4Very high110 Ų11039.7 Ų39.759%0.58821%0.208SC*.THydrogen-bonded Turntrans-86.85.8177.2-55.5-41.1000113.2T106 G110 L139 N140T106-D108 PolarHBondContact O-N 3.45Å; T106-D108 VanDerWaalsContact O-N 3.14Å; D108-G110 VanDerWaalsContact C-N 3.33Å; D108-L139 CarbonylContact O-C 3.59Å; D108-L139 WeakPolarHBondContact O-CA 3.29Å; D108-N140 WeakPolarHBondContact CA-ND2 3.47Å; D108-N140 PolarHBondContact O-N 3.31Å; D108-N140 PolarHBondContact O-OD1 3.25Å
109G94.6Very high96.4Very high6 Ų640.3 Ų40.36%0.06221%0.209CC..SBendtrans83.54.1-176.900000114.4T106 K107T106-G109 PolarHBondContact O-N 2.87Å; K107-G109 VanDerWaalsContact C-N 3.27Å; K107-G109 PolarHBondContact O-N 2.93Å
110G95.3Very high96.6Very high3 Ų339 Ų393%0.03120%0.196CC..  trans-75.5139.5-17500000113.9R105 T106 D108 T114R105-G110 CarbonylContact C-O 3.52Å; R105-G110 VanDerWaalsContact CA-O 3.29Å; R105-G110 WeakPolarHBondContact CA-O 3.43Å; T106-G110 PolarHBondContact N-O 2.92Å; T106-G110 WeakPolarHBondContact OG1-CA 3.37Å; T106-G110 PolarHBondContact OG1-N 3.04Å; T106-G110 PolarHBondContact OG1-O 3.08Å; D108-G110 VanDerWaalsContact C-N 3.33Å; G110-T114 WeakPolarHBondContact CA-OG1 3.27Å
111T97.2Very high96.6Very high5 Ų542.8 Ų42.83%0.03121%0.208CC..  trans-113.2175.217566.90000110.8R105 L113 T114 V115 E137R105-T111 HydrophobicContact CG-CG2 4.02Å; T111-L113 PolarHBondContact O-N 3.07Å; T111-L113 PolarHBondContact OG1-N 2.96Å; T111-T114 PolarHBondContact N-OG1 3.19Å; T111-T114 PolarHBondContact O-N 3.29Å; T111-T114 PolarHBondContact O-OG1 3.42Å; T111-T114 PolarHBondContact OG1-N 3.44Å; T111-V115 PolarHBondContact O-N 3.13Å; T111-E137 HydrophobicContact CG2-CB 4.4Å; T111-E137 HydrophobicContact CG2-CG 4.22Å
112A97.6Very high96.7Very high6 Ų642.9 Ų42.95%0.0521%0.209CC..Hα-helixtrans-56.2-35.4170.900000112.2L80 V115 A116 L128L80-A112 HydrophobicContact CD2-CB 3.97Å; L80-A112 HydrophobicContact CG-CB 3.83Å; A112-V115 WeakPolarHBondContact O-CG1 3.43Å; A112-A116 VanDerWaalsContact O-CB 3.27Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 3.32Å; A112-L128 HydrophobicContact CB-CD1 4.1Å; A112-L128 HydrophobicContact CB-CD2 3.75Å; A112-L128 WeakPolarHBondContact O-CD1 3.4Å
113L98.3Very high96.9Very high1 Ų144.1 Ų44.11%0.00522%0.221CC..Hα-helixtrans-71.6-40.5179.9-176.463.9000112.3T111 S117 V125 L128 L129 A133 N134 V135 P145 L161T111-L113 PolarHBondContact O-N 3.07Å; T111-L113 PolarHBondContact OG1-N 2.96Å; L113-S117 VanDerWaalsContact O-CB 3.25Å; L113-S117 WeakPolarHBondContact O-CB 3.34Å; L113-S117 PolarHBondContact O-N 3.15Å; L113-S117 PolarHBondContact O-OG 2.96Å; L113-V125 HydrophobicContact CD1-CG1 4.04Å; L113-V125 HydrophobicContact CD1-CG2 4.35Å; L113-L128 HydrophobicContact CB-CD1 4.19Å; L113-L128 HydrophobicContact CD1-CB 4.19Å; L113-L128 HydrophobicContact CD1-CD1 4.18Å; L113-L129 HydrophobicContact CD1-CD2 4.17Å; L113-L129 HydrophobicContact CD1-CG 4.3Å; L113-L129 HydrophobicContact CD2-CD2 4.01Å; L113-A133 HydrophobicContact CB-CB 4.25Å; L113-A133 HydrophobicContact CD2-CB 4.15Å; L113-N134 WeakPolarHBondContact CD2-O 3.42Å; L113-V135 HydrophobicContact CD2-CG1 4.34Å; L113-P145 HydrophobicContact CD2-CB 4.43Å; L113-P145 HydrophobicContact CD2-CG 4.04Å; L113-P145 HydrophobicContact CG-CB 4.2Å; L113-P145 HydrophobicContact CG-CG 4.07Å; L113-L161 HydrophobicContact CD1-CD2 4.15Å; L113-L161 HydrophobicContact CD2-CD2 4.29Å; L113-L161 HydrophobicContact CG-CD2 4.44Å
114T97.4Very high97.2Very high4 Ų439.6 Ų39.63%0.02520%0.2CC..Hα-helixtrans-63.8-44.7178.758.40000110.8G110 T111 S117 Q118 L139 P145 L148G110-T114 WeakPolarHBondContact CA-OG1 3.27Å; T111-T114 PolarHBondContact N-OG1 3.19Å; T111-T114 PolarHBondContact O-N 3.29Å; T111-T114 PolarHBondContact O-OG1 3.42Å; T111-T114 PolarHBondContact OG1-N 3.44Å; T114-S117 PolarHBondContact O-N 2.94Å; T114-Q118 WeakPolarHBondContact O-CB 3.39Å; T114-Q118 PolarHBondContact O-N 3.01Å; T114-L139 HydrophobicContact CG2-CD2 4.35Å; T114-P145 HydrophobicContact CG2-CG 3.91Å; T114-L148 HydrophobicContact CG2-CD1 4.45Å; T114-L148 WeakPolarHBondContact O-CD1 3.25Å
115V97.5Very high97.3Very high4 Ų437.4 Ų37.42%0.02419%0.189CC..Hα-helixtrans-70.8-41.5-179.5740000111.9F81 Q85 T111 A112 S117 Q118 Y119F81-V115 HydrophobicContact CD1-CG1 4.38Å; F81-V115 HydrophobicContact CD2-CB 4.48Å; F81-V115 HydrophobicContact CD2-CG1 3.98Å; F81-V115 HydrophobicContact CE1-CB 4.27Å; F81-V115 HydrophobicContact CE1-CG1 4.27Å; F81-V115 HydrophobicContact CE1-CG2 4.02Å; F81-V115 HydrophobicContact CE2-CB 3.86Å; F81-V115 HydrophobicContact CE2-CG1 3.86Å; F81-V115 HydrophobicContact CE2-CG2 4.46Å; F81-V115 HydrophobicContact CG-CG1 4.23Å; F81-V115 HydrophobicContact CZ-CB 3.74Å; F81-V115 HydrophobicContact CZ-CG1 4.01Å; F81-V115 HydrophobicContact CZ-CG2 3.84Å; Q85-V115 HydrophobicContact CB-CG1 4.23Å; Q85-V115 HydrophobicContact CB-CG2 3.6Å; Q85-V115 HydrophobicContact CG-CG2 3.68Å; T111-V115 PolarHBondContact O-N 3.13Å; A112-V115 WeakPolarHBondContact O-CG1 3.43Å; V115-S117 PolarHBondContact O-N 3.46Å; V115-Q118 PolarHBondContact O-N 2.94Å; V115-Y119 HydrophobicContact CG2-CD2 3.78Å; V115-Y119 HydrophobicContact CG2-CE2 3.73Å; V115-Y119 VanDerWaalsContact O-CD2 3.3Å; V115-Y119 WeakPolarHBondContact O-CD2 3.32Å; V115-Y119 PolarHBondContact O-N 3.07Å; V115-Y119 VanDerWaalsContact O-N 3.14Å
116A98.3Very high97.4Very high0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-59.5-38.717400000111.8A112 G120 R121 V124 V125 L128A112-A116 VanDerWaalsContact O-CB 3.27Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 3.32Å; A116-G120 PolarHBondContact O-N 2.95Å; A116-R121 HydrophobicContact CB-CB 4.31Å; A116-R121 PolarHBondContact O-N 2.97Å; A116-V124 HydrophobicContact CB-CB 4.37Å; A116-V124 HydrophobicContact CB-CG1 3.7Å; A116-V125 HydrophobicContact CB-CG2 3.78Å; A116-L128 HydrophobicContact CB-CD1 3.86Å
117S98.3Very high97.5Very high0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-70.2-40.5179.4-59.10000112.5L113 T114 V115 Y119 G120 P145 H154L113-S117 VanDerWaalsContact O-CB 3.25Å; L113-S117 WeakPolarHBondContact O-CB 3.34Å; L113-S117 PolarHBondContact O-N 3.15Å; L113-S117 PolarHBondContact O-OG 2.96Å; T114-S117 PolarHBondContact O-N 2.94Å; V115-S117 PolarHBondContact O-N 3.46Å; S117-Y119 VanDerWaalsContact C-N 3.33Å; S117-Y119 PolarHBondContact O-N 3.32Å; S117-G120 PolarHBondContact O-N 3.37Å; S117-P145 WeakPolarHBondContact CB-O 3.41Å; S117-H154 PolarHBondContact O-CD2 2.74Å; S117-H154 VanDerWaalsContact O-CD2 3.28Å
118Q97.9Very high97.5Very high77 Ų7728.2 Ų28.236%0.3615%0.154SC..Hα-helixtrans-60.3-41.2176-174.6179.41.300112.4T114 V115 L148 H154T114-Q118 WeakPolarHBondContact O-CB 3.39Å; T114-Q118 PolarHBondContact O-N 3.01Å; V115-Q118 PolarHBondContact O-N 2.94Å; Q118-L148 HydrophobicContact CB-CB 4.03Å; Q118-L148 HydrophobicContact CB-CD1 4.37Å; Q118-H154 PolarHBondContact O-CD2 2.86Å; Q118-H154 PolarHBondContact O-NE2 3.43Å
119Y97.9Very high97.7Very high102 Ų10224.2 Ų24.240%0.413%0.132SC..THydrogen-bonded Turntrans-92.94.7-179.4-69.6-79.7000114Q85 V115 S117 R121Q85-Y119 HydrophobicContact CG-CD2 3.78Å; Q85-Y119 HydrophobicContact CG-CE2 3.59Å; V115-Y119 HydrophobicContact CG2-CD2 3.78Å; V115-Y119 HydrophobicContact CG2-CE2 3.73Å; V115-Y119 VanDerWaalsContact O-CD2 3.3Å; V115-Y119 WeakPolarHBondContact O-CD2 3.32Å; V115-Y119 PolarHBondContact O-N 3.07Å; V115-Y119 VanDerWaalsContact O-N 3.14Å; S117-Y119 VanDerWaalsContact C-N 3.33Å; S117-Y119 PolarHBondContact O-N 3.32Å; Y119-R121 PolarHBondContact O-N 3.35Å
120G97.8Very high97.8Very high20 Ų2031.1 Ų31.121%0.20616%0.161CC..THydrogen-bonded Turntrans72.225.9172.600000114.9A116 S117 S122 H154A116-G120 PolarHBondContact O-N 2.95Å; S117-G120 PolarHBondContact O-N 3.37Å; G120-S122 VanDerWaalsContact C-N 3.29Å; G120-S122 PolarHBondContact O-N 3.02Å; G120-H154 WeakPolarHBondContact CA-CD2 3.43Å; G120-H154 WeakPolarHBondContact CA-ND1 3.41Å; G120-H154 PolarHBondContact N-CD2 2.86Å; G120-H154 VanDerWaalsContact N-CD2 3.28Å; G120-H154 PolarHBondContact N-NE2 2.71Å
121R98.4Very high97.9Very high89 Ų8934.8 Ų34.834%0.33618%0.179SC..  trans-80.671.5-175.1-51.1-50.6-171.1-172.73.7111.1S84 Q85 A116 Y119 A123 V124 V125S84-R121 WeakPolarHBondContact O-CG 3.46Å; Q85-R121 PolarHBondContact O-NE 3.31Å; Q85-R121 VanDerWaalsContact O-NE 3.16Å; A116-R121 HydrophobicContact CB-CB 4.31Å; A116-R121 PolarHBondContact O-N 2.97Å; Y119-R121 PolarHBondContact O-N 3.35Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.41Å; R121-V124 HydrophobicContact CB-CB 3.96Å; R121-V124 HydrophobicContact CB-CG2 4.27Å; R121-V124 WeakPolarHBondContact O-CB 3.4Å; R121-V124 PolarHBondContact O-N 3.39Å; R121-V125 WeakPolarHBondContact O-CG2 3.12Å; R121-V125 PolarHBondContact O-N 3.18Å
122S98.1Very high97.7Very high43 Ų4337 Ų3730%0.30120%0.204SC..Hα-helixtrans-55.3-39-173.257.10000115G120 V125 D126 Q160G120-S122 VanDerWaalsContact C-N 3.29Å; G120-S122 PolarHBondContact O-N 3.02Å; S122-V125 PolarHBondContact O-N 3.48Å; S122-D126 PolarHBondContact O-N 3.39Å; S122-Q160 PolarHBondContact O-NE2 3.12Å; S122-Q160 PolarHBondContact O-OE1 2.94Å
123A98.3Very high97.7Very high50 Ų5037.2 Ų37.241%0.41321%0.205SC..Hα-helixtrans-65.9-39.4176.900000112.1H89 R121 V127H89-A123 HydrophobicContact CB-CB 4.24Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.41Å; A123-V127 WeakPolarHBondContact O-CG2 3.34Å; A123-V127 PolarHBondContact O-N 3.34Å
124V98.5Very high97.6Very high1 Ų140 Ų401%0.00622%0.22CC..Hα-helixtrans-68.6-45.1175167.10000110.5H89 V92 A116 R121 D126 V127 L128H89-V124 HydrophobicContact CB-CG2 4.31Å; V92-V124 HydrophobicContact CG1-CG1 4.43Å; V92-V124 HydrophobicContact CG2-CG1 4.13Å; V92-V124 HydrophobicContact CG2-CG2 4.07Å; A116-V124 HydrophobicContact CB-CB 4.37Å; A116-V124 HydrophobicContact CB-CG1 3.7Å; R121-V124 HydrophobicContact CB-CB 3.96Å; R121-V124 HydrophobicContact CB-CG2 4.27Å; R121-V124 WeakPolarHBondContact O-CB 3.4Å; R121-V124 PolarHBondContact O-N 3.39Å; V124-D126 VanDerWaalsContact C-N 3.28Å; V124-D126 PolarHBondContact O-N 3.49Å; V124-V127 PolarHBondContact O-N 3.18Å; V124-V127 VanDerWaalsContact O-N 3.1Å; V124-L128 HydrophobicContact CG1-CD1 3.66Å; V124-L128 HydrophobicContact CG1-CG 3.98Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.48Å; V124-L128 PolarHBondContact O-N 3.42Å
125V98.5Very high97.6Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-55-45.5177.61690000110.7L113 A116 R121 S122 V127 L128 L129 V157 Q160 L161L113-V125 HydrophobicContact CD1-CG1 4.04Å; L113-V125 HydrophobicContact CD1-CG2 4.35Å; A116-V125 HydrophobicContact CB-CG2 3.78Å; R121-V125 WeakPolarHBondContact O-CG2 3.12Å; R121-V125 PolarHBondContact O-N 3.18Å; S122-V125 PolarHBondContact O-N 3.48Å; V125-V127 VanDerWaalsContact C-N 3.35Å; V125-V127 PolarHBondContact O-N 3Å; V125-L128 PolarHBondContact O-N 2.85Å; V125-L129 HydrophobicContact CG1-CD1 3.6Å; V125-L129 HydrophobicContact CG1-CG 4.2Å; V125-L129 WeakPolarHBondContact O-CB 3.41Å; V125-L129 WeakPolarHBondContact O-CG 3.48Å; V125-L129 PolarHBondContact O-N 2.91Å; V125-V157 HydrophobicContact CG1-CG1 4.36Å; V125-V157 HydrophobicContact CG2-CG1 4.08Å; V125-V157 HydrophobicContact CG2-CG2 4.1Å; V125-Q160 HydrophobicContact CG1-CB 4.19Å; V125-L161 HydrophobicContact CG1-CD2 4.38Å
126D98.1Very high97.4Very high56 Ų5644 Ų4430%0.29924%0.239SC..Hα-helixtrans-57.2-45.8176.1-172.756.1000112.7S122 V124 L129 K130S122-D126 PolarHBondContact O-N 3.39Å; V124-D126 VanDerWaalsContact C-N 3.28Å; V124-D126 PolarHBondContact O-N 3.49Å; D126-L129 PolarHBondContact O-N 2.73Å; D126-K130 WeakPolarHBondContact O-CB 3.47Å; D126-K130 VanDerWaalsContact O-CG 3.31Å; D126-K130 WeakPolarHBondContact O-CG 3.42Å; D126-K130 PolarHBondContact O-N 3.26Å; D126-K130 WeakPolarHBondContact OD1-CE 3.4Å; D126-K130 IonicContact OD1-NZ 2.67Å; D126-K130 WeakPolarHBondContact OD2-CE 3.4Å; D126-K130 IonicContact OD2-NZ 3.05Å; D126-K130 PolarHBondContact OD2-NZ 2.91Å
127V98Very high97.1Very high15 Ų1544.9 Ų44.99%0.09124%0.243CC..Hα-helixtrans-65.6-44.2178.6176.80000111.1V92 K93 F96 A123 V124 V125 L129 K130 N131V92-V127 HydrophobicContact CG1-CB 4.34Å; V92-V127 HydrophobicContact CG1-CG1 3.88Å; K93-V127 HydrophobicContact CG-CG1 4.02Å; K93-V127 HydrophobicContact CG-CG2 4.05Å; F96-V127 HydrophobicContact CD2-CG1 3.8Å; F96-V127 HydrophobicContact CE2-CG1 3.96Å; A123-V127 WeakPolarHBondContact O-CG2 3.34Å; A123-V127 PolarHBondContact O-N 3.34Å; V124-V127 PolarHBondContact O-N 3.18Å; V124-V127 VanDerWaalsContact O-N 3.1Å; V125-V127 VanDerWaalsContact C-N 3.35Å; V125-V127 PolarHBondContact O-N 3Å; V127-L129 PolarHBondContact O-N 3.46Å; V127-K130 PolarHBondContact O-N 3.45Å; V127-N131 PolarHBondContact O-N 3.39Å; V127-N131 PolarHBondContact O-ND2 2.91Å
128L98Very high96.9Very high1 Ų148.8 Ų48.81%0.00526%0.258CS..Hα-helixtrans-60.2-45.7178.4-68.5173.6000111.3L80 V92 F96 A112 L113 A116 V124 V125 N131 G132 A133L80-L128 HydrophobicContact CD1-CD2 4.3Å; L80-L128 HydrophobicContact CD2-CD2 4.41Å; V92-L128 HydrophobicContact CG1-CD2 4.38Å; F96-L128 HydrophobicContact CE2-CD2 3.76Å; F96-L128 HydrophobicContact CZ-CD2 3.6Å; A112-L128 HydrophobicContact CB-CD1 4.1Å; A112-L128 HydrophobicContact CB-CD2 3.75Å; A112-L128 WeakPolarHBondContact O-CD1 3.4Å; L113-L128 HydrophobicContact CB-CD1 4.19Å; L113-L128 HydrophobicContact CD1-CB 4.19Å; L113-L128 HydrophobicContact CD1-CD1 4.18Å; A116-L128 HydrophobicContact CB-CD1 3.86Å; V124-L128 HydrophobicContact CG1-CD1 3.66Å; V124-L128 HydrophobicContact CG1-CG 3.98Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.48Å; V124-L128 PolarHBondContact O-N 3.42Å; V125-L128 PolarHBondContact O-N 2.85Å; L128-N131 CarbonylContact O-C 3.48Å; L128-N131 PolarHBondContact O-N 3.27Å; L128-G132 PolarHBondContact O-N 3.26Å; L128-A133 HydrophobicContact CB-CB 4.01Å; L128-A133 WeakPolarHBondContact O-CB 3.32Å; L128-A133 PolarHBondContact O-N 3.27Å
129L97.4Very high96.8Very high25 Ų2546.8 Ų46.813%0.13125%0.249CC..Hα-helixtrans-64.1-41.8179.2-66.8169.9000111.9L113 V125 D126 V127 N131 G132 V135 Q160 L161L113-L129 HydrophobicContact CD1-CD2 4.17Å; L113-L129 HydrophobicContact CD1-CG 4.3Å; L113-L129 HydrophobicContact CD2-CD2 4.01Å; V125-L129 HydrophobicContact CG1-CD1 3.6Å; V125-L129 HydrophobicContact CG1-CG 4.2Å; V125-L129 WeakPolarHBondContact O-CB 3.41Å; V125-L129 WeakPolarHBondContact O-CG 3.48Å; V125-L129 PolarHBondContact O-N 2.91Å; D126-L129 PolarHBondContact O-N 2.73Å; V127-L129 PolarHBondContact O-N 3.46Å; L129-N131 PolarHBondContact O-N 2.88Å; L129-G132 PolarHBondContact O-N 2.86Å; L129-G132 VanDerWaalsContact O-N 3.14Å; L129-V135 HydrophobicContact CD2-CG1 3.24Å; L129-Q160 HydrophobicContact CD1-CB 4.15Å; L129-L161 HydrophobicContact CD2-CD2 4.35Å
130K96.9Very high96.7Very high152 Ų15246.8 Ų46.866%0.66126%0.256SS*.Hα-helixtrans-64.5-28.9175.8-75.4170.9178.1169.70113.2D126 V127 G132D126-K130 WeakPolarHBondContact O-CB 3.47Å; D126-K130 VanDerWaalsContact O-CG 3.31Å; D126-K130 WeakPolarHBondContact O-CG 3.42Å; D126-K130 PolarHBondContact O-N 3.26Å; D126-K130 WeakPolarHBondContact OD1-CE 3.4Å; D126-K130 IonicContact OD1-NZ 2.67Å; D126-K130 WeakPolarHBondContact OD2-CE 3.4Å; D126-K130 IonicContact OD2-NZ 3.05Å; D126-K130 PolarHBondContact OD2-NZ 2.91Å; V127-K130 PolarHBondContact O-N 3.45Å; K130-G132 VanDerWaalsContact C-N 3.29Å
131N96.8Very high96.5Very high79 Ų7948.3 Ų48.342%0.42226%0.26SS..THydrogen-bonded Turntrans-91.317.4176.1-72.4-82.9000112.9F96 V127 L128 L129F96-N131 HydrophobicContact CD1-CB 3.97Å; F96-N131 HydrophobicContact CD2-CB 4.17Å; F96-N131 HydrophobicContact CE1-CB 3.86Å; F96-N131 HydrophobicContact CE2-CB 4.02Å; F96-N131 HydrophobicContact CG-CB 4.14Å; F96-N131 HydrophobicContact CZ-CB 3.87Å; V127-N131 PolarHBondContact O-N 3.39Å; V127-N131 PolarHBondContact O-ND2 2.91Å; L128-N131 CarbonylContact O-C 3.48Å; L128-N131 PolarHBondContact O-N 3.27Å; L129-N131 PolarHBondContact O-N 2.88Å
132G94.8Very high96.4Very high53 Ų5344.1 Ų44.155%0.54624%0.244SC..THydrogen-bonded Turntrans85.614.6169.800000115.7L128 L129 K130 N134L128-G132 PolarHBondContact O-N 3.26Å; L129-G132 PolarHBondContact O-N 2.86Å; L129-G132 VanDerWaalsContact O-N 3.14Å; K130-G132 VanDerWaalsContact C-N 3.29Å; G132-N134 PolarHBondContact O-N 2.97Å
133A96.7Very high96.3Very high9 Ų942.1 Ų42.17%0.07423%0.23CC..  trans-59.8128.7176.900000111.7T102 L113 L128 V135T102-A133 HydrophobicContact CG2-CB 3.91Å; L113-A133 HydrophobicContact CB-CB 4.25Å; L113-A133 HydrophobicContact CD2-CB 4.15Å; L128-A133 HydrophobicContact CB-CB 4.01Å; L128-A133 WeakPolarHBondContact O-CB 3.32Å; L128-A133 PolarHBondContact O-N 3.27Å; A133-V135 PolarHBondContact O-N 3.18Å
134N96.1Very high96.3Very high60 Ų6040 Ų4032%0.32121%0.213SC..  trans-68.4118.8-178.6179.29.8000112L113 G132 H136 E137L113-N134 WeakPolarHBondContact CD2-O 3.42Å; G132-N134 PolarHBondContact O-N 2.97Å; N134-H136 VanDerWaalsContact C-N 3.27Å; N134-H136 PolarHBondContact O-N 3.03Å; N134-H136 WeakPolarHBondContact OD1-CB 3.38Å; N134-H136 PolarHBondContact OD1-N 3.01Å; N134-E137 HydrophobicContact CB-CG 3.7Å; N134-E137 VanDerWaalsContact ND2-CD 3.35Å; N134-E137 PolarHBondContact ND2-OE1 3.2Å; N134-E137 VanDerWaalsContact O-CG 3.29Å; N134-E137 WeakPolarHBondContact O-CG 3.49Å
135V96.6Very high96.3Very high14 Ų1440 Ų409%0.08521%0.212CC..THydrogen-bonded Turntrans-74.8-16.4-179.6-60.40000114L113 L129 A133 E137 A166L113-V135 HydrophobicContact CD2-CG1 4.34Å; L129-V135 HydrophobicContact CD2-CG1 3.24Å; A133-V135 PolarHBondContact O-N 3.18Å; V135-E137 VanDerWaalsContact C-N 3.3Å; V135-A166 HydrophobicContact CB-CB 4.49Å
136H94.3Very high96.3Very high79 Ų7940.1 Ų40.137%0.36621%0.213SC..THydrogen-bonded Turntrans-93.18.2-177.6-60-52.9000113.1N134 G165N134-H136 VanDerWaalsContact C-N 3.27Å; N134-H136 PolarHBondContact O-N 3.03Å; N134-H136 WeakPolarHBondContact OD1-CB 3.38Å; N134-H136 PolarHBondContact OD1-N 3.01Å; H136-G165 PolarHBondContact CE1-O 3.04Å
137E91.8Very high96.3Very high17 Ų1737.4 Ų37.48%0.07920%0.199CC..  trans-63.7149.2-178.7-69.8-58.7168.900113.6R105 T111 N134 V135 T144 P145R105-E137 VanDerWaalsContact CZ-CD 3.49Å; R105-E137 IonicContact CZ-OE1 2.69Å; R105-E137 IonicContact CZ-OE2 3.52Å; R105-E137 IonicContact NH1-OE2 2.68Å; R105-E137 PolarHBondContact NH1-OE2 2.89Å; R105-E137 IonicContact NH2-OE1 3.66Å; R105-E137 PolarHBondContact NH2-OE1 2.86Å; R105-E137 IonicContact NH2-OE2 3.69Å; R105-E137 PolarHBondContact NH2-OE2 3.4Å; T111-E137 HydrophobicContact CG2-CB 4.4Å; T111-E137 HydrophobicContact CG2-CG 4.22Å; N134-E137 HydrophobicContact CB-CG 3.7Å; N134-E137 VanDerWaalsContact ND2-CD 3.35Å; N134-E137 PolarHBondContact ND2-OE1 3.2Å; N134-E137 VanDerWaalsContact O-CG 3.29Å; N134-E137 WeakPolarHBondContact O-CG 3.49Å; V135-E137 VanDerWaalsContact C-N 3.3Å; E137-T144 WeakPolarHBondContact O-CA 3.09Å; E137-P145 WeakPolarHBondContact O-CD 2.92Å
138R93.9Very high96.3Very high82 Ų8237.2 Ų37.231%0.30920%0.197SC..  trans-129.8135.7-174.2-60.2174.67299.31.5110.3G142 A143 T144 A171R138-G142 VanDerWaalsContact NH2-CA 3.28Å; R138-G142 PolarHBondContact NH2-O 3.43Å; R138-A143 WeakPolarHBondContact CA-O 3.34Å; R138-T144 HydrophobicContact CG-CG2 4.25Å; R138-A171 PolarHBondContact NH2-O 3.26Å
139L96.4Very high96.3Very high35 Ų3537.1 Ų37.118%0.18320%0.196CC..  trans-67.1165.9158.5-58.8-172.6000109.8D108 T114 D141 G142 A143 L148D108-L139 CarbonylContact O-C 3.59Å; D108-L139 WeakPolarHBondContact O-CA 3.29Å; T114-L139 HydrophobicContact CG2-CD2 4.35Å; L139-D141 WeakPolarHBondContact CB-OD1 3.27Å; L139-D141 PolarHBondContact O-N 3.42Å; L139-D141 VanDerWaalsContact O-N 3.11Å; L139-G142 WeakPolarHBondContact O-CA 3.29Å; L139-G142 PolarHBondContact O-N 2.91Å; L139-A143 HydrophobicContact CB-CB 4.33Å; L139-A143 HydrophobicContact CD1-CB 4.16Å; L139-A143 HydrophobicContact CG-CB 4.35Å; L139-A143 PolarHBondContact N-O 3.42Å; L139-L148 HydrophobicContact CD1-CD1 4.09Å; L139-L148 HydrophobicContact CD1-CD2 4.28Å
140N95.5Very high96.3Very high102 Ų10236 Ų3655%0.54519%0.19SC..THydrogen-bonded Turntrans-59-23.6179.3-67.4-9.9000113.5K107 D108 G142K107-N140 PolarHBondContact O-ND2 2.89Å; D108-N140 WeakPolarHBondContact CA-ND2 3.47Å; D108-N140 PolarHBondContact O-N 3.31Å; D108-N140 PolarHBondContact O-OD1 3.25Å; N140-G142 VanDerWaalsContact C-N 3.29Å
141D94.2Very high96.4Very high52 Ų5232 Ų3228%0.27817%0.174SC..THydrogen-bonded Turntrans-90.38176.470.5-4.9000113.8L139 A143 R172 E173L139-D141 WeakPolarHBondContact CB-OD1 3.27Å; L139-D141 PolarHBondContact O-N 3.42Å; L139-D141 VanDerWaalsContact O-N 3.11Å; D141-A143 WeakPolarHBondContact OD1-CB 3.13Å; D141-A143 PolarHBondContact OD1-N 3.05Å; D141-R172 VanDerWaalsContact CG-NH2 3.31Å; D141-R172 PolarHBondContact O-NE 2.97Å; D141-R172 IonicContact OD2-CZ 3.34Å; D141-R172 IonicContact OD2-NE 2.92Å; D141-R172 IonicContact OD2-NH1 2.64Å; D141-R172 PolarHBondContact OD2-NH1 2.97Å; D141-R172 IonicContact OD2-NH2 2.63Å; D141-R172 PolarHBondContact OD2-NH2 3.34Å; D141-E173 PolarHBondContact O-N 3.29Å
142G95.6Very high96.4Very high1 Ų129.8 Ų29.81%0.0117%0.17CC..  trans82.12.9-178.100000115.7R138 L139 N140 T144R138-G142 VanDerWaalsContact NH2-CA 3.28Å; R138-G142 PolarHBondContact NH2-O 3.43Å; L139-G142 WeakPolarHBondContact O-CA 3.29Å; L139-G142 PolarHBondContact O-N 2.91Å; N140-G142 VanDerWaalsContact C-N 3.29Å; G142-T144 PolarHBondContact O-N 2.86Å
143A97.1Very high96.6Very high1 Ų128.2 Ų28.21%0.00815%0.154CC..  trans-68.9129.7-179.800000111.8R138 L139 D141 F147 L148 R172R138-A143 WeakPolarHBondContact CA-O 3.34Å; L139-A143 HydrophobicContact CB-CB 4.33Å; L139-A143 HydrophobicContact CD1-CB 4.16Å; L139-A143 HydrophobicContact CG-CB 4.35Å; L139-A143 PolarHBondContact N-O 3.42Å; D141-A143 WeakPolarHBondContact OD1-CB 3.13Å; D141-A143 PolarHBondContact OD1-N 3.05Å; A143-F147 HydrophobicContact CB-CD1 3.83Å; A143-F147 HydrophobicContact CB-CE1 4.42Å; A143-F147 HydrophobicContact CB-CG 4.31Å; A143-L148 HydrophobicContact CB-CD2 4.28Å; A143-L148 HydrophobicContact CB-CG 4.48Å; A143-R172 HydrophobicContact CB-CG 4.18Å
144T97.6Very high96.6Very high7 Ų730.3 Ų30.34%0.04316%0.162CC..  trans-9416417660.90000111.8E137 R138 G142 L146 F147 L148 Q170E137-T144 WeakPolarHBondContact O-CA 3.09Å; R138-T144 HydrophobicContact CG-CG2 4.25Å; G142-T144 PolarHBondContact O-N 2.86Å; T144-L146 PolarHBondContact O-N 2.94Å; T144-F147 WeakPolarHBondContact O-CB 3.46Å; T144-F147 PolarHBondContact O-N 3.02Å; T144-F147 PolarHBondContact OG1-N 3.34Å; T144-L148 PolarHBondContact O-N 3.22Å; T144-Q170 HydrophobicContact CG2-CB 4.28Å; T144-Q170 HydrophobicContact CG2-CG 3.75Å
145P97.9Very high96.7Very high0 Ų029 Ų290%016%0.156CC..Hα-helixtrans-50.4-40.1169.7-28.232.4000113.1L113 T114 S117 E137 L148 A149 L161L113-P145 HydrophobicContact CD2-CB 4.43Å; L113-P145 HydrophobicContact CD2-CG 4.04Å; L113-P145 HydrophobicContact CG-CB 4.2Å; L113-P145 HydrophobicContact CG-CG 4.07Å; T114-P145 HydrophobicContact CG2-CG 3.91Å; S117-P145 WeakPolarHBondContact CB-O 3.41Å; E137-P145 WeakPolarHBondContact O-CD 2.92Å; P145-L148 PolarHBondContact O-N 3.45Å; P145-A149 WeakPolarHBondContact O-CB 3.4Å; P145-A149 PolarHBondContact O-N 2.94Å; P145-L161 HydrophobicContact CB-CD1 3.9Å; P145-L161 HydrophobicContact CB-CD2 3.96Å
146L98.3Very high96.8Very high2 Ų232.5 Ų32.51%0.0118%0.177CC..Hα-helixtrans-64.7-42.3177.9-177.467.9000111.6T144 A149 A150 I158 L161 L162 A166 P178 L194T144-L146 PolarHBondContact O-N 2.94Å; L146-A149 PolarHBondContact O-N 2.65Å; L146-A150 WeakPolarHBondContact O-CB 3.36Å; L146-A150 PolarHBondContact O-N 2.63Å; L146-I158 HydrophobicContact CD1-CB 4.29Å; L146-I158 HydrophobicContact CD1-CG1 4.17Å; L146-I158 HydrophobicContact CD1-CG2 3.89Å; L146-L161 HydrophobicContact CB-CD1 4.32Å; L146-L161 HydrophobicContact CD1-CB 4.36Å; L146-L161 HydrophobicContact CD1-CD1 4.48Å; L146-L162 HydrophobicContact CD1-CD2 4.11Å; L146-L162 HydrophobicContact CD1-CG 4.03Å; L146-L162 HydrophobicContact CD2-CD2 3.82Å; L146-A166 HydrophobicContact CB-CB 4.38Å; L146-A166 HydrophobicContact CD2-CB 4.39Å; L146-P178 HydrophobicContact CD2-CG 4.34Å; L146-P178 HydrophobicContact CG-CB 4.48Å; L146-P178 HydrophobicContact CG-CG 4.44Å; L146-L194 HydrophobicContact CD1-CD2 4.34Å; L146-L194 HydrophobicContact CD2-CD2 4.46Å
147F98.3Very high97Very high0 Ų028.8 Ų28.80%016%0.16CC..Hα-helixtrans-59.9-47.8175.3-176.5-82000111.6A143 T144 A149 A150 Q151 R172 T176 P178 M181A143-F147 HydrophobicContact CB-CD1 3.83Å; A143-F147 HydrophobicContact CB-CE1 4.42Å; A143-F147 HydrophobicContact CB-CG 4.31Å; T144-F147 WeakPolarHBondContact O-CB 3.46Å; T144-F147 PolarHBondContact O-N 3.02Å; T144-F147 PolarHBondContact OG1-N 3.34Å; F147-A149 PolarHBondContact O-N 3.11Å; F147-A150 WeakPolarHBondContact O-CB 3.39Å; F147-A150 PolarHBondContact O-N 2.99Å; F147-Q151 PolarHBondContact O-N 3.03Å; F147-R172 HydrophobicContact CD2-CG 4.02Å; F147-R172 HydrophobicContact CE1-CG 4.42Å; F147-R172 VanDerWaalsContact CE2-CD 3.47Å; F147-R172 HydrophobicContact CE2-CG 3.81Å; F147-R172 HydrophobicContact CG-CG 4.4Å; F147-R172 HydrophobicContact CZ-CG 4.03Å; F147-T176 HydrophobicContact CE2-CG2 3.77Å; F147-T176 WeakPolarHBondContact CE2-O 3.4Å; F147-T176 HydrophobicContact CZ-CG2 4.07Å; F147-P178 HydrophobicContact CB-CG 4.37Å; F147-P178 HydrophobicContact CD2-CG 4.36Å; F147-M181 HydrophobicContact CE1-CE 4.07Å; F147-M181 HydrophobicContact CE1-CG 4.11Å; F147-M181 HydrophobicContact CE2-CB 3.89Å; F147-M181 HydrophobicContact CE2-CE 4.47Å; F147-M181 HydrophobicContact CE2-CG 4.37Å; F147-M181 HydrophobicContact CZ-CB 3.84Å; F147-M181 HydrophobicContact CZ-CE 3.49Å; F147-M181 VanDerWaalsContact CZ-CE 3.49Å; F147-M181 HydrophobicContact CZ-CG 3.83Å
148L98.2Very high97.3Very high10 Ų1028 Ų285%0.05216%0.156CC..Hα-helixtrans-65-39.3-179.7-63.7171.6000111.9T114 Q118 L139 A143 T144 P145 A150 Q151 G152T114-L148 HydrophobicContact CG2-CD1 4.45Å; T114-L148 WeakPolarHBondContact O-CD1 3.25Å; Q118-L148 HydrophobicContact CB-CB 4.03Å; Q118-L148 HydrophobicContact CB-CD1 4.37Å; L139-L148 HydrophobicContact CD1-CD1 4.09Å; L139-L148 HydrophobicContact CD1-CD2 4.28Å; A143-L148 HydrophobicContact CB-CD2 4.28Å; A143-L148 HydrophobicContact CB-CG 4.48Å; T144-L148 PolarHBondContact O-N 3.22Å; P145-L148 PolarHBondContact O-N 3.45Å; L148-A150 VanDerWaalsContact C-N 3.34Å; L148-Q151 PolarHBondContact O-N 2.99Å; L148-G152 PolarHBondContact O-N 3.01Å
149A98.4Very high97.6Very high0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-65-38.2173.700000112.1P145 L146 F147 G152 G153 H154 V157 I158 L161P145-A149 WeakPolarHBondContact O-CB 3.4Å; P145-A149 PolarHBondContact O-N 2.94Å; L146-A149 PolarHBondContact O-N 2.65Å; F147-A149 PolarHBondContact O-N 3.11Å; A149-G152 PolarHBondContact O-N 3.11Å; A149-G153 PolarHBondContact O-N 3.43Å; A149-H154 HydrophobicContact CB-CB 4.44Å; A149-H154 PolarHBondContact O-N 2.87Å; A149-V157 HydrophobicContact CB-CB 4.22Å; A149-V157 HydrophobicContact CB-CG1 3.62Å; A149-I158 HydrophobicContact CB-CD1 4.45Å; A149-I158 HydrophobicContact CB-CG1 3.7Å; A149-L161 HydrophobicContact CB-CD1 4.22Å
150A98.3Very high97.6Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-66.4-39.1175.600000112.4L146 F147 L148 G152 G153 I158 P178 A182 H187 V190 L194L146-A150 WeakPolarHBondContact O-CB 3.36Å; L146-A150 PolarHBondContact O-N 2.63Å; F147-A150 WeakPolarHBondContact O-CB 3.39Å; F147-A150 PolarHBondContact O-N 2.99Å; L148-A150 VanDerWaalsContact C-N 3.34Å; A150-G152 VanDerWaalsContact C-N 3.34Å; A150-G153 PolarHBondContact O-N 2.93Å; A150-I158 HydrophobicContact CB-CD1 4.25Å; A150-P178 HydrophobicContact CB-CB 4.03Å; A150-A182 HydrophobicContact CB-CB 4.33Å; A150-H187 PolarHBondContact O-CD2 3Å; A150-H187 VanDerWaalsContact O-CD2 3.32Å; A150-V190 HydrophobicContact CB-CG1 4.17Å; A150-L194 HydrophobicContact CB-CD1 4.36Å
151Q97.9Very high97.8Very high69 Ų6924.5 Ų24.532%0.32214%0.135SC..Hα-helixtrans-61.9-42172.3-175.2-179.3-47.300111.9F147 L148 M181 M185 H187F147-Q151 PolarHBondContact O-N 3.03Å; L148-Q151 PolarHBondContact O-N 2.99Å; Q151-M181 HydrophobicContact CB-CG 3.7Å; Q151-M181 HydrophobicContact CG-CG 4Å; Q151-M181 HydrophobicContact CG-SD 4.15Å; Q151-M185 HydrophobicContact CG-CG 4.49Å; Q151-H187 PolarHBondContact O-NE2 2.9Å; Q151-H187 VanDerWaalsContact O-NE2 3.08Å
152G97Very high97.9Very high32 Ų3223 Ų2333%0.3313%0.127SC..Hα-helixtrans-78.5-12.4179.900000115.4L148 A149 A150 H154L148-G152 PolarHBondContact O-N 3.01Å; A149-G152 PolarHBondContact O-N 3.11Å; A150-G152 VanDerWaalsContact C-N 3.34Å; G152-H154 PolarHBondContact O-CE1 2.92Å
153G97.9Very high98Very high20 Ų2026.6 Ų26.621%0.20616%0.157CC..THydrogen-bonded Turntrans79.718.4-178.100000114.3A149 A150 V155 H187A149-G153 PolarHBondContact O-N 3.43Å; A150-G153 PolarHBondContact O-N 2.93Å; G153-V155 PolarHBondContact O-N 3.36Å; G153-H187 WeakPolarHBondContact CA-CD2 3.45Å; G153-H187 VanDerWaalsContact CA-CG 3.5Å; G153-H187 WeakPolarHBondContact CA-NE2 3.26Å; G153-H187 PolarHBondContact N-CD2 3.49Å; G153-H187 PolarHBondContact N-NE2 2.99Å
154H98.4Very high98Very high53 Ų5329.3 Ų29.325%0.24518%0.176CC..  trans-86.277.4-167.3-58.1-51.4000112.6S117 Q118 G120 A149 G152 T156 V157 I158S117-H154 PolarHBondContact O-CD2 2.74Å; S117-H154 VanDerWaalsContact O-CD2 3.28Å; Q118-H154 PolarHBondContact O-CD2 2.86Å; Q118-H154 PolarHBondContact O-NE2 3.43Å; G120-H154 WeakPolarHBondContact CA-CD2 3.43Å; G120-H154 WeakPolarHBondContact CA-ND1 3.41Å; G120-H154 PolarHBondContact N-CD2 2.86Å; G120-H154 VanDerWaalsContact N-CD2 3.28Å; G120-H154 PolarHBondContact N-NE2 2.71Å; A149-H154 HydrophobicContact CB-CB 4.44Å; A149-H154 PolarHBondContact O-N 2.87Å; G152-H154 PolarHBondContact O-CE1 2.92Å; H154-T156 VanDerWaalsContact C-N 3.33Å; H154-T156 PolarHBondContact O-N 3.23Å; H154-V157 HydrophobicContact CB-CB 4Å; H154-V157 HydrophobicContact CB-CG2 4.16Å; H154-V157 PolarHBondContact O-N 3Å; H154-V157 VanDerWaalsContact O-N 3.12Å; H154-I158 WeakPolarHBondContact O-CG1 3.32Å; H154-I158 PolarHBondContact O-N 3.44Å
155V98.2Very high97.9Very high34 Ų3431.1 Ų31.121%0.20620%0.195CC..Hα-helixtrans-52.3-44.6-174.5178.70000113.3G153 V157 I158 R159 E189 V190 V193G153-V155 PolarHBondContact O-N 3.36Å; V155-V157 PolarHBondContact O-N 3.49Å; V155-I158 PolarHBondContact O-N 2.94Å; V155-R159 WeakPolarHBondContact O-CG 3.43Å; V155-R159 PolarHBondContact O-N 3.27Å; V155-E189 HydrophobicContact CG1-CG 4.07Å; V155-E189 HydrophobicContact CG2-CB 3.99Å; V155-E189 HydrophobicContact CG2-CG 3.69Å; V155-V190 HydrophobicContact CG2-CG2 3.68Å; V155-V193 HydrophobicContact CG1-CG2 4.14Å
156T98.4Very high97.9Very high86 Ų8631.6 Ų31.653%0.52820%0.199SC..Hα-helixtrans-63.4-43.9-179-51.90000111.7H154 I158 R159 Q160H154-T156 VanDerWaalsContact C-N 3.33Å; H154-T156 PolarHBondContact O-N 3.23Å; T156-I158 VanDerWaalsContact C-N 3.34Å; T156-I158 PolarHBondContact O-N 3.06Å; T156-R159 PolarHBondContact O-N 3.02Å; T156-Q160 WeakPolarHBondContact O-CG 3.41Å; T156-Q160 PolarHBondContact O-N 3.2Å
157V98.6Very high97.8Very high1 Ų139 Ų391%0.00623%0.227CC..Hα-helixtrans-62.4-43.2176.2170.20000110.6V125 A149 H154 V155 R159 Q160 L161V125-V157 HydrophobicContact CG1-CG1 4.36Å; V125-V157 HydrophobicContact CG2-CG1 4.08Å; V125-V157 HydrophobicContact CG2-CG2 4.1Å; A149-V157 HydrophobicContact CB-CB 4.22Å; A149-V157 HydrophobicContact CB-CG1 3.62Å; H154-V157 HydrophobicContact CB-CB 4Å; H154-V157 HydrophobicContact CB-CG2 4.16Å; H154-V157 PolarHBondContact O-N 3Å; H154-V157 VanDerWaalsContact O-N 3.12Å; V155-V157 PolarHBondContact O-N 3.49Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 2.89Å; V157-Q160 WeakPolarHBondContact O-CB 3.18Å; V157-Q160 PolarHBondContact O-N 3.01Å; V157-Q160 VanDerWaalsContact O-N 3.16Å; V157-L161 HydrophobicContact CG1-CD1 3.71Å; V157-L161 HydrophobicContact CG1-CG 4.12Å; V157-L161 VanDerWaalsContact O-CG 3.32Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 3.03Å
158I98.4Very high97.8Very high0 Ų040 Ų400%023%0.233CC..Hα-helixtrans-58.8-45.1177.2-69.3175.6000111L146 A149 A150 H154 V155 T156 Q160 L161 L162 V190 V193 L194L146-I158 HydrophobicContact CD1-CB 4.29Å; L146-I158 HydrophobicContact CD1-CG1 4.17Å; L146-I158 HydrophobicContact CD1-CG2 3.89Å; A149-I158 HydrophobicContact CB-CD1 4.45Å; A149-I158 HydrophobicContact CB-CG1 3.7Å; A150-I158 HydrophobicContact CB-CD1 4.25Å; H154-I158 WeakPolarHBondContact O-CG1 3.32Å; H154-I158 PolarHBondContact O-N 3.44Å; V155-I158 PolarHBondContact O-N 2.94Å; T156-I158 VanDerWaalsContact C-N 3.34Å; T156-I158 PolarHBondContact O-N 3.06Å; I158-Q160 VanDerWaalsContact C-N 3.33Å; I158-Q160 PolarHBondContact O-N 2.97Å; I158-L161 PolarHBondContact O-N 3.5Å; I158-L162 HydrophobicContact CG2-CD1 3.66Å; I158-L162 HydrophobicContact CG2-CG 4.32Å; I158-L162 WeakPolarHBondContact O-CB 3.46Å; I158-L162 VanDerWaalsContact O-CG 3.22Å; I158-L162 WeakPolarHBondContact O-CG 3.3Å; I158-L162 PolarHBondContact O-N 3.16Å; I158-V190 HydrophobicContact CD1-CB 4.01Å; I158-V190 HydrophobicContact CD1-CG1 3.27Å; I158-V190 HydrophobicContact CD1-CG2 3.61Å; I158-V193 HydrophobicContact CG2-CG1 3.93Å; I158-L194 HydrophobicContact CG2-CD2 4.15Å
159R98.3Very high97.7Very high108 Ų10843.1 Ų43.141%0.40825%0.25SC..Hα-helixtrans-61.5-41.6176.9-69.7178.8-172.1-80.82.7111.8V155 T156 V157 A163 E189 V193V155-R159 WeakPolarHBondContact O-CG 3.43Å; V155-R159 PolarHBondContact O-N 3.27Å; T156-R159 PolarHBondContact O-N 3.02Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 2.89Å; R159-A163 VanDerWaalsContact O-CB 3.29Å; R159-A163 WeakPolarHBondContact O-CB 3.45Å; R159-A163 PolarHBondContact O-N 3.45Å; R159-E189 IonicContact NH2-OE1 2.79Å; R159-E189 PolarHBondContact NH2-OE1 3.29Å; R159-V193 HydrophobicContact CG-CG1 4.2Å; R159-V193 VanDerWaalsContact CZ-CG2 3.49Å
160Q98.3Very high97.5Very high39 Ų3945.6 Ų45.618%0.18226%0.262CS..Hα-helixtrans-63.3-50.5176.5-69.9169.4-46.700111.5S122 V125 L129 T156 V157 I158 L162 A163 S164S122-Q160 PolarHBondContact O-NE2 3.12Å; S122-Q160 PolarHBondContact O-OE1 2.94Å; V125-Q160 HydrophobicContact CG1-CB 4.19Å; L129-Q160 HydrophobicContact CD1-CB 4.15Å; T156-Q160 WeakPolarHBondContact O-CG 3.41Å; T156-Q160 PolarHBondContact O-N 3.2Å; V157-Q160 WeakPolarHBondContact O-CB 3.18Å; V157-Q160 PolarHBondContact O-N 3.01Å; V157-Q160 VanDerWaalsContact O-N 3.16Å; I158-Q160 VanDerWaalsContact C-N 3.33Å; I158-Q160 PolarHBondContact O-N 2.97Å; Q160-L162 PolarHBondContact O-N 3.5Å; Q160-A163 PolarHBondContact O-N 2.89Å; Q160-S164 PolarHBondContact O-N 2.88Å; Q160-S164 PolarHBondContact O-OG 2.92Å
161L98.2Very high97.4Very high0 Ų046.8 Ų46.80%027%0.271CS..Hα-helixtrans-60.6-43.7180-68.9172.7000112.1L113 V125 L129 P145 L146 A149 V157 I158 S164 G165 A166L113-L161 HydrophobicContact CD1-CD2 4.15Å; L113-L161 HydrophobicContact CD2-CD2 4.29Å; L113-L161 HydrophobicContact CG-CD2 4.44Å; V125-L161 HydrophobicContact CG1-CD2 4.38Å; L129-L161 HydrophobicContact CD2-CD2 4.35Å; P145-L161 HydrophobicContact CB-CD1 3.9Å; P145-L161 HydrophobicContact CB-CD2 3.96Å; L146-L161 HydrophobicContact CB-CD1 4.32Å; L146-L161 HydrophobicContact CD1-CB 4.36Å; L146-L161 HydrophobicContact CD1-CD1 4.48Å; A149-L161 HydrophobicContact CB-CD1 4.22Å; V157-L161 HydrophobicContact CG1-CD1 3.71Å; V157-L161 HydrophobicContact CG1-CG 4.12Å; V157-L161 VanDerWaalsContact O-CG 3.32Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 3.03Å; I158-L161 PolarHBondContact O-N 3.5Å; L161-S164 CarbonylContact O-C 3.52Å; L161-S164 PolarHBondContact O-N 2.78Å; L161-G165 PolarHBondContact O-N 3.19Å; L161-A166 HydrophobicContact CB-CB 4.01Å; L161-A166 WeakPolarHBondContact O-CB 3.19Å; L161-A166 PolarHBondContact O-N 3.39Å
162L97.6Very high97.3Very high19 Ų1946.5 Ų46.510%0.09927%0.267CS..Hα-helixtrans-67.4-36.1177.3-68172.5000112.1L146 I158 Q160 S164 G165 V168 V193 L194 R197L146-L162 HydrophobicContact CD1-CD2 4.11Å; L146-L162 HydrophobicContact CD1-CG 4.03Å; L146-L162 HydrophobicContact CD2-CD2 3.82Å; I158-L162 HydrophobicContact CG2-CD1 3.66Å; I158-L162 HydrophobicContact CG2-CG 4.32Å; I158-L162 WeakPolarHBondContact O-CB 3.46Å; I158-L162 VanDerWaalsContact O-CG 3.22Å; I158-L162 WeakPolarHBondContact O-CG 3.3Å; I158-L162 PolarHBondContact O-N 3.16Å; Q160-L162 PolarHBondContact O-N 3.5Å; L162-S164 VanDerWaalsContact C-N 3.25Å; L162-S164 PolarHBondContact O-N 3.09Å; L162-G165 PolarHBondContact O-N 3.44Å; L162-V168 HydrophobicContact CD2-CB 4.1Å; L162-V168 HydrophobicContact CD2-CG2 4.34Å; L162-V193 HydrophobicContact CD1-CG1 4.31Å; L162-L194 HydrophobicContact CD1-CD2 4.42Å; L162-R197 HydrophobicContact CD1-CB 3.92Å; L162-R197 HydrophobicContact CD1-CG 3.81Å
163A97.3Very high97.1Very high78 Ų7851.7 Ų51.765%0.64528%0.283SS*.Hα-helixtrans-65.3-31.3173.300000112.2R159 Q160 G165R159-A163 VanDerWaalsContact O-CB 3.29Å; R159-A163 WeakPolarHBondContact O-CB 3.45Å; R159-A163 PolarHBondContact O-N 3.45Å; Q160-A163 PolarHBondContact O-N 2.89Å; A163-G165 VanDerWaalsContact C-N 3.26Å; A163-G165 PolarHBondContact O-N 3.48Å
164S97Very high96.9Very high58 Ų5853.2 Ų53.241%0.40629%0.286SS..THydrogen-bonded Turntrans-85.612.3174.3-62.80000114.2Q160 L161 L162Q160-S164 PolarHBondContact O-N 2.88Å; Q160-S164 PolarHBondContact O-OG 2.92Å; L161-S164 CarbonylContact O-C 3.52Å; L161-S164 PolarHBondContact O-N 2.78Å; L162-S164 VanDerWaalsContact C-N 3.25Å; L162-S164 PolarHBondContact O-N 3.09Å
165G96.2Very high96.7Very high44 Ų4451.6 Ų51.645%0.45428%0.284SS..THydrogen-bonded Turntrans90.612.1171.500000115.8H136 L161 L162 A163 R167H136-G165 PolarHBondContact CE1-O 3.04Å; L161-G165 PolarHBondContact O-N 3.19Å; L162-G165 PolarHBondContact O-N 3.44Å; A163-G165 VanDerWaalsContact C-N 3.26Å; A163-G165 PolarHBondContact O-N 3.48Å; G165-R167 PolarHBondContact O-N 3.42Å
166A97.1Very high96.6Very high10 Ų1050.1 Ų50.18%0.08328%0.275CS..  trans-56.3137.3175.800000112V135 L146 L161 V168V135-A166 HydrophobicContact CB-CB 4.49Å; L146-A166 HydrophobicContact CB-CB 4.38Å; L146-A166 HydrophobicContact CD2-CB 4.39Å; L161-A166 HydrophobicContact CB-CB 4.01Å; L161-A166 WeakPolarHBondContact O-CB 3.19Å; L161-A166 PolarHBondContact O-N 3.39Å; A166-V168 PolarHBondContact O-N 3.28Å
167R96.8Very high96.6Very high158 Ų15846.5 Ų46.560%0.59625%0.254SS*.  trans-75.9111-179.9-68.3178.6-173.8178.2-0.4110.3G165 N169 Q170G165-R167 PolarHBondContact O-N 3.42Å; R167-N169 VanDerWaalsContact C-N 3.28Å; R167-N169 PolarHBondContact O-N 3.28Å; R167-Q170 HydrophobicContact CB-CB 3.91Å; R167-Q170 PolarHBondContact O-N 3.04Å
168V97Very high96.5Very high21 Ų2146.4 Ų46.413%0.12725%0.253CS..THydrogen-bonded Turntrans-58.4-36.2-175.769.10000113.9L162 A166 L194 A199L162-V168 HydrophobicContact CD2-CB 4.1Å; L162-V168 HydrophobicContact CD2-CG2 4.34Å; A166-V168 PolarHBondContact O-N 3.28Å; V168-L194 HydrophobicContact CG2-CD2 3.93Å; V168-A199 HydrophobicContact CG2-CB 3.77Å
169N96.1Very high96.5Very high75 Ų7546.6 Ų46.640%0.40125%0.254SS..THydrogen-bonded Turntrans-98.812.4-175.4-66.1-33.9000114R167 A171 G198 A199 D200R167-N169 VanDerWaalsContact C-N 3.28Å; R167-N169 PolarHBondContact O-N 3.28Å; N169-A171 PolarHBondContact O-N 3.3Å; N169-G198 PolarHBondContact ND2-O 2.84Å; N169-G198 VanDerWaalsContact ND2-O 3.07Å; N169-A199 WeakPolarHBondContact OD1-CA 3.06Å; N169-D200 PolarHBondContact OD1-N 2.68Å
170Q95.8Very high96.5Very high53 Ų5342.2 Ų42.225%0.24824%0.238CC..  trans-72.1102.9-178-172.662.574.200110.8T144 R167 P178T144-Q170 HydrophobicContact CG2-CB 4.28Å; T144-Q170 HydrophobicContact CG2-CG 3.75Å; R167-Q170 HydrophobicContact CB-CB 3.91Å; R167-Q170 PolarHBondContact O-N 3.04Å; Q170-P178 WeakPolarHBondContact O-CD 3.46Å
171A94.5Very high96.4Very high24 Ų2441.1 Ų41.120%0.19823%0.233CC..  trans-79.2157.9177.200000113.3R138 N169 T176R138-A171 PolarHBondContact NH2-O 3.26Å; N169-A171 PolarHBondContact O-N 3.3Å; A171-T176 WeakPolarHBondContact CA-O 3.33Å
172R95.7Very high96.4Very high63 Ų6341.1 Ų41.124%0.23823%0.233CC..  trans-67.8174.9164.6-77.5-178.560.7162.9-0.5111.7D141 A143 F147 D174 G175 T176D141-R172 VanDerWaalsContact CG-NH2 3.31Å; D141-R172 PolarHBondContact O-NE 2.97Å; D141-R172 IonicContact OD2-CZ 3.34Å; D141-R172 IonicContact OD2-NE 2.92Å; D141-R172 IonicContact OD2-NH1 2.64Å; D141-R172 PolarHBondContact OD2-NH1 2.97Å; D141-R172 IonicContact OD2-NH2 2.63Å; D141-R172 PolarHBondContact OD2-NH2 3.34Å; A143-R172 HydrophobicContact CB-CG 4.18Å; F147-R172 HydrophobicContact CD2-CG 4.02Å; F147-R172 HydrophobicContact CE1-CG 4.42Å; F147-R172 VanDerWaalsContact CE2-CD 3.47Å; F147-R172 HydrophobicContact CE2-CG 3.81Å; F147-R172 HydrophobicContact CG-CG 4.4Å; F147-R172 HydrophobicContact CZ-CG 4.03Å; R172-D174 VanDerWaalsContact CB-OD1 3.23Å; R172-D174 WeakPolarHBondContact CB-OD1 3.3Å; R172-D174 PolarHBondContact O-N 3.44Å; R172-G175 PolarHBondContact O-N 3.14Å; R172-G175 VanDerWaalsContact O-N 3.15Å; R172-T176 PolarHBondContact N-O 3.16Å
173E94.3Very high96.4Very high141 Ų14140.2 Ų40.266%0.65923%0.228SC*.THydrogen-bonded Turntrans-62.9-29.3178.1-63.1-174.9160.500113.5D141 G175D141-E173 PolarHBondContact O-N 3.29Å; E173-G175 PolarHBondContact O-N 3.18Å
174D93.2Very high96.4Very high52 Ų5239 Ų3928%0.27821%0.209SC..THydrogen-bonded Turntrans-83.58.4177.771.8-20.1000113.7R172 T176 R205 L206R172-D174 VanDerWaalsContact CB-OD1 3.23Å; R172-D174 WeakPolarHBondContact CB-OD1 3.3Å; R172-D174 PolarHBondContact O-N 3.44Å; D174-T176 VanDerWaalsContact C-N 3.28Å; D174-T176 PolarHBondContact O-N 3.31Å; D174-T176 WeakPolarHBondContact OD1-CB 3.48Å; D174-T176 PolarHBondContact OD1-N 3.15Å; D174-T176 PolarHBondContact OD1-OG1 2.98Å; D174-T176 PolarHBondContact OD2-OG1 3.47Å; D174-R205 WeakPolarHBondContact O-CG 3.38Å; D174-L206 VanDerWaalsContact O-CG 3.27Å; D174-L206 WeakPolarHBondContact O-CG 3.41Å; D174-L206 PolarHBondContact O-N 3.42Å
175G94.4Very high96.4Very high20 Ų2040.5 Ų40.521%0.20621%0.211CC..SBendtrans79.91.5-175.500000114.3R172 E173 A177R172-G175 PolarHBondContact O-N 3.14Å; R172-G175 VanDerWaalsContact O-N 3.15Å; E173-G175 PolarHBondContact O-N 3.18Å; G175-A177 PolarHBondContact O-N 3.34Å; G175-A177 VanDerWaalsContact O-N 3.16Å
176T96.4Very high96.5Very high2 Ų239.5 Ų39.51%0.01220%0.201CC..  trans-72.7113.5-178.4-55.50000111.3F147 A171 R172 D174 W180 M181 R205F147-T176 HydrophobicContact CE2-CG2 3.77Å; F147-T176 WeakPolarHBondContact CE2-O 3.4Å; F147-T176 HydrophobicContact CZ-CG2 4.07Å; A171-T176 WeakPolarHBondContact CA-O 3.33Å; R172-T176 PolarHBondContact N-O 3.16Å; D174-T176 VanDerWaalsContact C-N 3.28Å; D174-T176 PolarHBondContact O-N 3.31Å; D174-T176 WeakPolarHBondContact OD1-CB 3.48Å; D174-T176 PolarHBondContact OD1-N 3.15Å; D174-T176 PolarHBondContact OD1-OG1 2.98Å; D174-T176 PolarHBondContact OD2-OG1 3.47Å; T176-W180 HydrophobicContact CG2-CB 4.26Å; T176-W180 HydrophobicContact CG2-CD2 3.94Å; T176-W180 HydrophobicContact CG2-CE3 3.34Å; T176-W180 HydrophobicContact CG2-CG 4.33Å; T176-W180 HydrophobicContact CG2-CZ3 3.9Å; T176-M181 HydrophobicContact CG2-CB 4.39Å; T176-M181 HydrophobicContact CG2-CE 4.22Å; T176-R205 WeakPolarHBondContact OG1-CD 3.27Å
177A96.8Very high96.5Very high10 Ų1041.7 Ų41.78%0.08321%0.209CC..  trans-82.8157.6174.200000112.6G175 L179 W180 M181G175-A177 PolarHBondContact O-N 3.34Å; G175-A177 VanDerWaalsContact O-N 3.16Å; A177-L179 VanDerWaalsContact C-N 3.25Å; A177-L179 PolarHBondContact O-N 3.15Å; A177-W180 WeakPolarHBondContact O-CB 3.43Å; A177-W180 PolarHBondContact O-N 2.7Å; A177-W180 VanDerWaalsContact O-N 3.11Å; A177-M181 PolarHBondContact O-N 2.55Å; A177-M181 VanDerWaalsContact O-N 3.14Å
178P97.7Very high96.5Very high0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-55.3-38.1176.6-27.135.7000113.7L146 F147 A150 Q170 M181 A182 L194L146-P178 HydrophobicContact CD2-CG 4.34Å; L146-P178 HydrophobicContact CG-CB 4.48Å; L146-P178 HydrophobicContact CG-CG 4.44Å; F147-P178 HydrophobicContact CB-CG 4.37Å; F147-P178 HydrophobicContact CD2-CG 4.36Å; A150-P178 HydrophobicContact CB-CB 4.03Å; Q170-P178 WeakPolarHBondContact O-CD 3.46Å; P178-M181 PolarHBondContact O-N 3.42Å; P178-A182 PolarHBondContact O-N 3.17Å; P178-L194 HydrophobicContact CB-CD1 4.26Å
179L97.9Very high96.6Very high4 Ų439 Ų392%0.02121%0.207CC..Hα-helixtrans-62-44.9176.8-176.870.1000111.9A177 M181 A182 A183 V191 L194 L195 A199 D200 A211 L227A177-L179 VanDerWaalsContact C-N 3.25Å; A177-L179 PolarHBondContact O-N 3.15Å; L179-M181 VanDerWaalsContact C-N 3.33Å; L179-M181 PolarHBondContact O-N 3.34Å; L179-A182 PolarHBondContact O-N 3.33Å; L179-A183 WeakPolarHBondContact O-CB 3.17Å; L179-A183 PolarHBondContact O-N 2.92Å; L179-V191 HydrophobicContact CD1-CB 4.28Å; L179-V191 HydrophobicContact CD1-CG1 3.98Å; L179-V191 HydrophobicContact CD1-CG2 4.25Å; L179-L194 HydrophobicContact CB-CD1 4.39Å; L179-L194 HydrophobicContact CD1-CB 4.03Å; L179-L194 HydrophobicContact CD1-CD1 4.35Å; L179-L195 HydrophobicContact CD1-CD2 4.23Å; L179-L195 HydrophobicContact CD1-CG 4.04Å; L179-L195 HydrophobicContact CD2-CD2 3.88Å; L179-A199 HydrophobicContact CB-CB 4.26Å; L179-A199 HydrophobicContact CD1-CB 4.41Å; L179-A199 HydrophobicContact CD2-CB 4.14Å; L179-D200 WeakPolarHBondContact CD2-O 3.38Å; L179-A211 HydrophobicContact CD2-CB 4.34Å; L179-A211 HydrophobicContact CG-CB 4.15Å; L179-L227 HydrophobicContact CD2-CD2 4.39Å
180W97.4Very high96.7Very high15 Ų1535.5 Ų35.56%0.05719%0.189CC..Hα-helixtrans-60.7-44.2177.8-171.6109000111T176 A177 A183 Q184 S209 T210 K214T176-W180 HydrophobicContact CG2-CB 4.26Å; T176-W180 HydrophobicContact CG2-CD2 3.94Å; T176-W180 HydrophobicContact CG2-CE3 3.34Å; T176-W180 HydrophobicContact CG2-CG 4.33Å; T176-W180 HydrophobicContact CG2-CZ3 3.9Å; A177-W180 WeakPolarHBondContact O-CB 3.43Å; A177-W180 PolarHBondContact O-N 2.7Å; A177-W180 VanDerWaalsContact O-N 3.11Å; W180-A183 WeakPolarHBondContact O-CB 3.48Å; W180-A183 PolarHBondContact O-N 3.41Å; W180-Q184 HydrophobicContact CE3-CB 4.24Å; W180-Q184 HydrophobicContact CZ3-CB 4.03Å; W180-Q184 HydrophobicContact CZ3-CG 4.45Å; W180-Q184 PolarHBondContact O-N 3.44Å; W180-S209 PolarHBondContact NE1-O 3.36Å; W180-S209 PolarHBondContact NE1-OG 3.04Å; W180-T210 VanDerWaalsContact CD1-C 3.46Å; W180-K214 HydrophobicContact CH2-CD 4.18Å; W180-K214 HydrophobicContact CH2-CG 4.12Å; W180-K214 HydrophobicContact CZ2-CB 4.21Å; W180-K214 HydrophobicContact CZ2-CD 3.89Å; W180-K214 HydrophobicContact CZ2-CG 3.84Å
181M97.7Very high96.8Very high16 Ų1633 Ų338%0.07918%0.177CC..Hα-helixtrans-67.1-42.4179.5-174.354.873.600112.1F147 Q151 T176 A177 P178 L179 A183 Q184 M185F147-M181 HydrophobicContact CE1-CE 4.07Å; F147-M181 HydrophobicContact CE1-CG 4.11Å; F147-M181 HydrophobicContact CE2-CB 3.89Å; F147-M181 HydrophobicContact CE2-CE 4.47Å; F147-M181 HydrophobicContact CE2-CG 4.37Å; F147-M181 HydrophobicContact CZ-CB 3.84Å; F147-M181 HydrophobicContact CZ-CE 3.49Å; F147-M181 VanDerWaalsContact CZ-CE 3.49Å; F147-M181 HydrophobicContact CZ-CG 3.83Å; Q151-M181 HydrophobicContact CB-CG 3.7Å; Q151-M181 HydrophobicContact CG-CG 4Å; Q151-M181 HydrophobicContact CG-SD 4.15Å; T176-M181 HydrophobicContact CG2-CB 4.39Å; T176-M181 HydrophobicContact CG2-CE 4.22Å; A177-M181 PolarHBondContact O-N 2.55Å; A177-M181 VanDerWaalsContact O-N 3.14Å; P178-M181 PolarHBondContact O-N 3.42Å; L179-M181 VanDerWaalsContact C-N 3.33Å; L179-M181 PolarHBondContact O-N 3.34Å; M181-A183 VanDerWaalsContact C-N 3.25Å; M181-A183 PolarHBondContact O-N 3Å; M181-Q184 PolarHBondContact O-N 2.97Å; M181-M185 WeakPolarHBondContact O-CG 3.23Å; M181-M185 PolarHBondContact O-N 3.41Å; M181-M185 HydrophobicContact SD-CG 4.16Å
182A98Very high96.9Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-59.8-39.1173.500000111.8A150 P178 L179 M185 G186 H187 V190 V191 L194A150-A182 HydrophobicContact CB-CB 4.33Å; P178-A182 PolarHBondContact O-N 3.17Å; L179-A182 PolarHBondContact O-N 3.33Å; A182-M185 PolarHBondContact O-N 3.01Å; A182-G186 PolarHBondContact O-N 3.02Å; A182-H187 PolarHBondContact O-N 3.41Å; A182-V190 HydrophobicContact CB-CB 4.18Å; A182-V190 HydrophobicContact CB-CG1 3.52Å; A182-V191 HydrophobicContact CB-CG2 3.82Å; A182-L194 HydrophobicContact CB-CD1 4.29Å
183A97.5Very high97Very high0 Ų032.6 Ų32.60%017%0.173CC..Hα-helixtrans-68.2-39.7177.200000112.7L179 W180 M181 M185 G186 V191 A211 A215 H220 V223L179-A183 WeakPolarHBondContact O-CB 3.17Å; L179-A183 PolarHBondContact O-N 2.92Å; W180-A183 WeakPolarHBondContact O-CB 3.48Å; W180-A183 PolarHBondContact O-N 3.41Å; M181-A183 VanDerWaalsContact C-N 3.25Å; M181-A183 PolarHBondContact O-N 3Å; A183-M185 VanDerWaalsContact C-N 3.31Å; A183-M185 PolarHBondContact O-N 3.26Å; A183-G186 PolarHBondContact O-N 3.06Å; A183-V191 HydrophobicContact CB-CG2 4.38Å; A183-A211 HydrophobicContact CB-CB 3.78Å; A183-A211 WeakPolarHBondContact CB-O 3.28Å; A183-A215 HydrophobicContact CB-CB 4.3Å; A183-H220 PolarHBondContact O-CD2 3.16Å; A183-H220 VanDerWaalsContact O-CD2 3.28Å; A183-V223 HydrophobicContact CB-CG1 3.78Å
184Q96.7Very high97.2Very high53 Ų5325.9 Ų25.925%0.24814%0.141CC..Hα-helixtrans-59.4-42.4172.4172.3170.7-62.300112W180 M181 G186 K214 H220W180-Q184 HydrophobicContact CE3-CB 4.24Å; W180-Q184 HydrophobicContact CZ3-CB 4.03Å; W180-Q184 HydrophobicContact CZ3-CG 4.45Å; W180-Q184 PolarHBondContact O-N 3.44Å; M181-Q184 PolarHBondContact O-N 2.97Å; Q184-G186 VanDerWaalsContact C-N 3.32Å; Q184-K214 HydrophobicContact CB-CG 3.85Å; Q184-K214 HydrophobicContact CG-CG 4.24Å; Q184-H220 PolarHBondContact O-CD2 3.46Å; Q184-H220 PolarHBondContact O-NE2 2.93Å
185M97.7Very high97.3Very high89 Ų8924 Ų2444%0.43813%0.131SC..Hα-helixtrans-83.3-7.9-175.8-61.9-54.4-69.700113.5Q151 M181 A182 A183 H187Q151-M185 HydrophobicContact CG-CG 4.49Å; M181-M185 WeakPolarHBondContact O-CG 3.23Å; M181-M185 PolarHBondContact O-N 3.41Å; M181-M185 HydrophobicContact SD-CG 4.16Å; A182-M185 PolarHBondContact O-N 3.01Å; A183-M185 VanDerWaalsContact C-N 3.31Å; A183-M185 PolarHBondContact O-N 3.26Å; M185-H187 VanDerWaalsContact CB-CD2 3.47Å; M185-H187 WeakPolarHBondContact CB-CD2 3.46Å; M185-H187 WeakPolarHBondContact CB-NE2 3.33Å
186G97.4Very high97.4Very high24 Ų2428.3 Ų28.325%0.24715%0.149CC..THydrogen-bonded Turntrans84.216.5175.700000114.7A182 A183 Q184 S188 H220 V223A182-G186 PolarHBondContact O-N 3.02Å; A183-G186 PolarHBondContact O-N 3.06Å; Q184-G186 VanDerWaalsContact C-N 3.32Å; G186-S188 PolarHBondContact O-N 2.99Å; G186-H220 VanDerWaalsContact CA-CD2 3.44Å; G186-H220 WeakPolarHBondContact CA-CD2 3.2Å; G186-V223 VanDerWaalsContact C-CG2 3.48Å
187H98.2Very high97.4Very high55 Ų5534.4 Ų34.426%0.25517%0.172SC..  trans-84.279.7-173.9-60.9-45.2000111.8A150 Q151 G153 A182 M185 E189 V190 V191A150-H187 PolarHBondContact O-CD2 3Å; A150-H187 VanDerWaalsContact O-CD2 3.32Å; Q151-H187 PolarHBondContact O-NE2 2.9Å; Q151-H187 VanDerWaalsContact O-NE2 3.08Å; G153-H187 WeakPolarHBondContact CA-CD2 3.45Å; G153-H187 VanDerWaalsContact CA-CG 3.5Å; G153-H187 WeakPolarHBondContact CA-NE2 3.26Å; G153-H187 PolarHBondContact N-CD2 3.49Å; G153-H187 PolarHBondContact N-NE2 2.99Å; A182-H187 PolarHBondContact O-N 3.41Å; M185-H187 VanDerWaalsContact CB-CD2 3.47Å; M185-H187 WeakPolarHBondContact CB-CD2 3.46Å; M185-H187 WeakPolarHBondContact CB-NE2 3.33Å; H187-E189 PolarHBondContact O-N 3.33Å; H187-V190 HydrophobicContact CB-CB 3.86Å; H187-V190 HydrophobicContact CB-CG2 3.97Å; H187-V190 WeakPolarHBondContact O-CB 3.49Å; H187-V190 PolarHBondContact O-N 3.38Å; H187-V190 VanDerWaalsContact O-N 3.16Å; H187-V191 WeakPolarHBondContact O-CG2 3.28Å; H187-V191 PolarHBondContact O-N 3.08Å
188S97.1Very high97.3Very high48 Ų4836.2 Ų36.234%0.33619%0.191SC..Hα-helixtrans-58-43-174.957.20000114.3G186 V190 V191 K192G186-S188 PolarHBondContact O-N 2.99Å; S188-V190 VanDerWaalsContact C-N 3.32Å; S188-V190 PolarHBondContact O-N 3.34Å; S188-V191 WeakPolarHBondContact O-CB 3.32Å; S188-V191 PolarHBondContact O-N 2.91Å; S188-K192 WeakPolarHBondContact O-CB 3.39Å; S188-K192 PolarHBondContact O-N 3.32Å
189E97.6Very high97.2Very high75 Ų7536.7 Ų36.735%0.3520%0.195SC..Hα-helixtrans-67.5-34.1178.8-176.360.3-158.600111.7V155 R159 H187 K192 V193V155-E189 HydrophobicContact CG1-CG 4.07Å; V155-E189 HydrophobicContact CG2-CB 3.99Å; V155-E189 HydrophobicContact CG2-CG 3.69Å; R159-E189 IonicContact NH2-OE1 2.79Å; R159-E189 PolarHBondContact NH2-OE1 3.29Å; H187-E189 PolarHBondContact O-N 3.33Å; E189-K192 IonicContact OE2-NZ 2.58Å; E189-V193 WeakPolarHBondContact O-CG2 3.46Å; E189-V193 PolarHBondContact O-N 3.11Å
190V98.2Very high97.1Very high2 Ų240.6 Ų40.61%0.01222%0.216CC..Hα-helixtrans-64.5-47.5172.6168.90000110.7A150 V155 I158 A182 H187 S188 K192 V193 L194A150-V190 HydrophobicContact CB-CG1 4.17Å; V155-V190 HydrophobicContact CG2-CG2 3.68Å; I158-V190 HydrophobicContact CD1-CB 4.01Å; I158-V190 HydrophobicContact CD1-CG1 3.27Å; I158-V190 HydrophobicContact CD1-CG2 3.61Å; A182-V190 HydrophobicContact CB-CB 4.18Å; A182-V190 HydrophobicContact CB-CG1 3.52Å; H187-V190 HydrophobicContact CB-CB 3.86Å; H187-V190 HydrophobicContact CB-CG2 3.97Å; H187-V190 WeakPolarHBondContact O-CB 3.49Å; H187-V190 PolarHBondContact O-N 3.38Å; H187-V190 VanDerWaalsContact O-N 3.16Å; S188-V190 VanDerWaalsContact C-N 3.32Å; S188-V190 PolarHBondContact O-N 3.34Å; V190-K192 VanDerWaalsContact C-N 3.31Å; V190-K192 PolarHBondContact O-N 3.48Å; V190-V193 PolarHBondContact O-N 3.39Å; V190-V193 VanDerWaalsContact O-N 3.17Å; V190-L194 HydrophobicContact CG1-CD1 3.69Å; V190-L194 HydrophobicContact CG1-CG 4.13Å; V190-L194 WeakPolarHBondContact O-CB 3.45Å; V190-L194 WeakPolarHBondContact O-CG 3.49Å; V190-L194 PolarHBondContact O-N 3.24Å
191V97.9Very high96.8Very high0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-55.2-49.2177.4164.50000110.4L179 A182 A183 H187 S188 V193 L194 L195 V223 E226 L227L179-V191 HydrophobicContact CD1-CB 4.28Å; L179-V191 HydrophobicContact CD1-CG1 3.98Å; L179-V191 HydrophobicContact CD1-CG2 4.25Å; A182-V191 HydrophobicContact CB-CG2 3.82Å; A183-V191 HydrophobicContact CB-CG2 4.38Å; H187-V191 WeakPolarHBondContact O-CG2 3.28Å; H187-V191 PolarHBondContact O-N 3.08Å; S188-V191 WeakPolarHBondContact O-CB 3.32Å; S188-V191 PolarHBondContact O-N 2.91Å; V191-V193 PolarHBondContact O-N 3.46Å; V191-L194 PolarHBondContact O-N 2.97Å; V191-L195 HydrophobicContact CG1-CD1 3.72Å; V191-L195 HydrophobicContact CG1-CG 4.45Å; V191-L195 VanDerWaalsContact O-CG 3.28Å; V191-L195 WeakPolarHBondContact O-CG 3.2Å; V191-L195 PolarHBondContact O-N 3.27Å; V191-V223 HydrophobicContact CG1-CG1 4.4Å; V191-V223 HydrophobicContact CG2-CG1 4.01Å; V191-V223 HydrophobicContact CG2-CG2 4.23Å; V191-E226 HydrophobicContact CG1-CB 4.2Å; V191-L227 HydrophobicContact CG1-CD2 4.03Å; V191-L227 HydrophobicContact CG1-CG 3.99Å
192K97.3Very high96.5Very high76 Ų7644.6 Ų44.633%0.3324%0.235SC..Hα-helixtrans-56.4-48.1175.9178.8-177.7172.6-168.70112.3S188 E189 V190 L194 L195 L196 E226S188-K192 WeakPolarHBondContact O-CB 3.39Å; S188-K192 PolarHBondContact O-N 3.32Å; E189-K192 IonicContact OE2-NZ 2.58Å; V190-K192 VanDerWaalsContact C-N 3.31Å; V190-K192 PolarHBondContact O-N 3.48Å; K192-L194 PolarHBondContact O-N 3.36Å; K192-L195 PolarHBondContact O-N 2.98Å; K192-L196 HydrophobicContact CG-CD1 4.07Å; K192-L196 WeakPolarHBondContact O-CB 3.17Å; K192-L196 VanDerWaalsContact O-CG 3.26Å; K192-L196 WeakPolarHBondContact O-CG 3.06Å; K192-L196 PolarHBondContact O-N 2.99Å; K192-E226 HydrophobicContact CB-CG 4.33Å
193V97.6Very high96.2Very high2 Ų245.8 Ų45.81%0.01224%0.244CC..Hα-helixtrans-63.2-42.6179.21710000111.9V155 I158 R159 L162 E189 V190 V191 L196 R197V155-V193 HydrophobicContact CG1-CG2 4.14Å; I158-V193 HydrophobicContact CG2-CG1 3.93Å; R159-V193 HydrophobicContact CG-CG1 4.2Å; R159-V193 VanDerWaalsContact CZ-CG2 3.49Å; L162-V193 HydrophobicContact CD1-CG1 4.31Å; E189-V193 WeakPolarHBondContact O-CG2 3.46Å; E189-V193 PolarHBondContact O-N 3.11Å; V190-V193 PolarHBondContact O-N 3.39Å; V190-V193 VanDerWaalsContact O-N 3.17Å; V191-V193 PolarHBondContact O-N 3.46Å; V193-L196 PolarHBondContact O-N 3.47Å; V193-R197 WeakPolarHBondContact O-CB 3.49Å; V193-R197 WeakPolarHBondContact O-CG 3.27Å; V193-R197 PolarHBondContact O-N 2.96Å
194L97.5Very high95.9Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-63.6-45.9178.5-70.8174.2000111.1L146 A150 I158 L162 V168 P178 L179 A182 V190 V191 K192 R197 G198 A199L146-L194 HydrophobicContact CD1-CD2 4.34Å; L146-L194 HydrophobicContact CD2-CD2 4.46Å; A150-L194 HydrophobicContact CB-CD1 4.36Å; I158-L194 HydrophobicContact CG2-CD2 4.15Å; L162-L194 HydrophobicContact CD1-CD2 4.42Å; V168-L194 HydrophobicContact CG2-CD2 3.93Å; P178-L194 HydrophobicContact CB-CD1 4.26Å; L179-L194 HydrophobicContact CB-CD1 4.39Å; L179-L194 HydrophobicContact CD1-CB 4.03Å; L179-L194 HydrophobicContact CD1-CD1 4.35Å; A182-L194 HydrophobicContact CB-CD1 4.29Å; V190-L194 HydrophobicContact CG1-CD1 3.69Å; V190-L194 HydrophobicContact CG1-CG 4.13Å; V190-L194 WeakPolarHBondContact O-CB 3.45Å; V190-L194 WeakPolarHBondContact O-CG 3.49Å; V190-L194 PolarHBondContact O-N 3.24Å; V191-L194 PolarHBondContact O-N 2.97Å; K192-L194 PolarHBondContact O-N 3.36Å; L194-R197 CarbonylContact O-C 3.41Å; L194-R197 WeakPolarHBondContact O-CA 3.04Å; L194-R197 PolarHBondContact O-N 2.78Å; L194-G198 PolarHBondContact O-N 3.33Å; L194-A199 VanDerWaalsContact C-CB 3.43Å; L194-A199 HydrophobicContact CB-CB 3.87Å; L194-A199 WeakPolarHBondContact O-CB 3.42Å; L194-A199 PolarHBondContact O-N 3.14Å
195L96.6Very high95.8Very high14 Ų1448.7 Ų48.77%0.07326%0.256CS..Hα-helixtrans-61.1-45.8177.1-69.1166.9000112L179 V191 K192 R197 G198 R201 L227 F230L179-L195 HydrophobicContact CD1-CD2 4.23Å; L179-L195 HydrophobicContact CD1-CG 4.04Å; L179-L195 HydrophobicContact CD2-CD2 3.88Å; V191-L195 HydrophobicContact CG1-CD1 3.72Å; V191-L195 HydrophobicContact CG1-CG 4.45Å; V191-L195 VanDerWaalsContact O-CG 3.28Å; V191-L195 WeakPolarHBondContact O-CG 3.2Å; V191-L195 PolarHBondContact O-N 3.27Å; K192-L195 PolarHBondContact O-N 2.98Å; L195-R197 PolarHBondContact O-N 2.89Å; L195-G198 PolarHBondContact O-N 2.69Å; L195-R201 HydrophobicContact CD2-CB 3.78Å; L195-R201 HydrophobicContact CD2-CG 4.02Å; L195-L227 HydrophobicContact CD1-CD2 4Å; L195-L227 HydrophobicContact CD2-CD2 4.41Å; L195-F230 HydrophobicContact CB-CD1 4.44Å; L195-F230 HydrophobicContact CB-CD2 4.18Å; L195-F230 HydrophobicContact CB-CE1 4.11Å; L195-F230 HydrophobicContact CB-CE2 3.84Å; L195-F230 HydrophobicContact CB-CG 4.47Å; L195-F230 HydrophobicContact CB-CZ 3.8Å; L195-F230 HydrophobicContact CD1-CD2 3.56Å; L195-F230 HydrophobicContact CD1-CE2 3.69Å; L195-F230 HydrophobicContact CD1-CG 4.29Å; L195-F230 HydrophobicContact CG-CD2 4.36Å; L195-F230 HydrophobicContact CG-CE2 4.38Å
196L96.3Very high95.5Very high110 Ų11051 Ų5158%0.57627%0.27SS*.Hα-helixtrans-61.4-17.1174.8-71.9173.6000113.4K192 V193 F230K192-L196 HydrophobicContact CG-CD1 4.07Å; K192-L196 WeakPolarHBondContact O-CB 3.17Å; K192-L196 VanDerWaalsContact O-CG 3.26Å; K192-L196 WeakPolarHBondContact O-CG 3.06Å; K192-L196 PolarHBondContact O-N 2.99Å; V193-L196 PolarHBondContact O-N 3.47Å; L196-F230 HydrophobicContact CD2-CZ 4.16Å; L196-F230 HydrophobicContact CG-CZ 4.41Å
197R96.3Very high95.2Very high130 Ų13053 Ų5349%0.49128%0.275SS..THydrogen-bonded Turntrans-106.716.6-179.8-65.6-70.8-170.6141.40112.8L162 V193 L194 L195L162-R197 HydrophobicContact CD1-CB 3.92Å; L162-R197 HydrophobicContact CD1-CG 3.81Å; V193-R197 WeakPolarHBondContact O-CB 3.49Å; V193-R197 WeakPolarHBondContact O-CG 3.27Å; V193-R197 PolarHBondContact O-N 2.96Å; L194-R197 CarbonylContact O-C 3.41Å; L194-R197 WeakPolarHBondContact O-CA 3.04Å; L194-R197 PolarHBondContact O-N 2.78Å; L195-R197 PolarHBondContact O-N 2.89Å
198G94.8Very high94.9Very high48 Ų4850.6 Ų50.650%0.49527%0.265SS..THydrogen-bonded Turntrans84.124.9173.200000114.2N169 L194 L195 D200N169-G198 PolarHBondContact ND2-O 2.84Å; N169-G198 VanDerWaalsContact ND2-O 3.07Å; L194-G198 PolarHBondContact O-N 3.33Å; L195-G198 PolarHBondContact O-N 2.69Å; G198-D200 PolarHBondContact O-N 3.05Å
199A96Very high94.7Very high10 Ų1048.4 Ų48.48%0.08325%0.249CC..  trans-59.9133.916900000110.5V168 N169 L179 L194 R201V168-A199 HydrophobicContact CG2-CB 3.77Å; N169-A199 WeakPolarHBondContact OD1-CA 3.06Å; L179-A199 HydrophobicContact CB-CB 4.26Å; L179-A199 HydrophobicContact CD1-CB 4.41Å; L179-A199 HydrophobicContact CD2-CB 4.14Å; L194-A199 VanDerWaalsContact C-CB 3.43Å; L194-A199 HydrophobicContact CB-CB 3.87Å; L194-A199 WeakPolarHBondContact O-CB 3.42Å; L194-A199 PolarHBondContact O-N 3.14Å; A199-R201 PolarHBondContact O-N 3.33Å; A199-R201 VanDerWaalsContact O-N 3.09Å
200D94.6Very high94.6Very high86 Ų8645.3 Ų45.346%0.4624%0.236SC..  trans-69.8107.2172.4-175.8-4000108.7N169 L179 G198 D202 A203N169-D200 PolarHBondContact OD1-N 2.68Å; L179-D200 WeakPolarHBondContact CD2-O 3.38Å; G198-D200 PolarHBondContact O-N 3.05Å; D200-D202 VanDerWaalsContact C-N 3.32Å; D200-D202 PolarHBondContact OD1-N 3.03Å; D200-D202 VanDerWaalsContact OD1-N 3.15Å; D200-A203 HydrophobicContact CB-CB 3.91Å; D200-A203 PolarHBondContact OD1-N 3.13Å
201R92.6Very high94.5Very high61 Ų6145.3 Ų45.323%0.2324%0.236CC..THydrogen-bonded Turntrans-65.4-36.2-175.1179.3-16565.5-145.10.5112.5L195 A199 L227 F230 S231 P232L195-R201 HydrophobicContact CD2-CB 3.78Å; L195-R201 HydrophobicContact CD2-CG 4.02Å; A199-R201 PolarHBondContact O-N 3.33Å; A199-R201 VanDerWaalsContact O-N 3.09Å; R201-L227 HydrophobicContact CG-CD2 4.16Å; R201-F230 PolarHBondContact NH1-O 3.09Å; R201-S231 PolarHBondContact NH1-O 3.24Å; R201-S231 PolarHBondContact NH2-O 3.42Å; R201-P232 HydrophobicContact CG-CB 4.36Å
202D91Very high94.4Very high54 Ų5445.5 Ų45.529%0.28924%0.237SC..THydrogen-bonded Turntrans-102.96.4-173.2-58.8-26.9000111.9D200 D204 A233D200-D202 VanDerWaalsContact C-N 3.32Å; D200-D202 PolarHBondContact OD1-N 3.03Å; D200-D202 VanDerWaalsContact OD1-N 3.15Å; D202-D204 PolarHBondContact O-N 3.37Å; D202-A233 PolarHBondContact OD1-N 3.28Å
203A91.7Very high94.3Very high24 Ų2443 Ų4320%0.19823%0.226CC..  trans-53.6127.9172.400000110.7D200D200-A203 HydrophobicContact CB-CB 3.91Å; D200-A203 PolarHBondContact OD1-N 3.13Å
204D90.9Very high94.2Very high49 Ų4945.1 Ų45.126%0.26224%0.235SC..BIsolated β-bridgetrans-105.6149.7178.963.4-22.3000111.8D202 S209 T210 K238D202-D204 PolarHBondContact O-N 3.37Å; D204-S209 WeakPolarHBondContact CA-O 3.4Å; D204-T210 HydrophobicContact CB-CG2 4.16Å; D204-K238 IonicContact OD1-NZ 3.41Å; D204-K238 PolarHBondContact OD1-NZ 3.46Å; D204-K238 WeakPolarHBondContact OD2-CD 3.33Å; D204-K238 WeakPolarHBondContact OD2-CE 3.48Å; D204-K238 WeakPolarHBondContact OD2-CG 3.38Å; D204-K238 IonicContact OD2-NZ 3.36Å; D204-K238 PolarHBondContact OD2-NZ 2.97Å
205R94.1Very high94.2Very high65 Ų6545.1 Ų45.125%0.24524%0.235CC..  trans-75.9171.4169.7-167.2-178.67486.3-11.4109.2D174 T176 D207 G208 S209D174-R205 WeakPolarHBondContact O-CG 3.38Å; T176-R205 WeakPolarHBondContact OG1-CD 3.27Å; R205-D207 WeakPolarHBondContact CB-OD1 3.35Å; R205-D207 IonicContact CZ-OD1 3.69Å; R205-D207 IonicContact CZ-OD2 3.43Å; R205-D207 IonicContact NE-OD1 3.7Å; R205-D207 PolarHBondContact NE-OD1 3.14Å; R205-D207 IonicContact NE-OD2 3.06Å; R205-D207 PolarHBondContact NE-OD2 3.38Å; R205-D207 VanDerWaalsContact NH2-CB 3.27Å; R205-D207 IonicContact NH2-OD1 2.84Å; R205-D207 PolarHBondContact NH2-OD1 3.27Å; R205-D207 IonicContact NH2-OD2 3.5Å; R205-D207 PolarHBondContact NH2-OD2 3.06Å; R205-D207 PolarHBondContact O-N 3.27Å; R205-G208 PolarHBondContact O-N 2.88Å; R205-S209 PolarHBondContact N-O 2.9Å
206L92.9Very high94.1Very high138 Ų13844.5 Ų44.572%0.72323%0.232SC*.THydrogen-bonded Turntrans-57.1-22.5177.4-68.4177.1000114.5D174 G208D174-L206 VanDerWaalsContact O-CG 3.27Å; D174-L206 WeakPolarHBondContact O-CG 3.41Å; D174-L206 PolarHBondContact O-N 3.42Å; L206-G208 VanDerWaalsContact C-N 3.28Å
207D91.1Very high94Very high66 Ų6641.6 Ų41.635%0.35322%0.217SC..THydrogen-bonded Turntrans-842.4174.174.2-25.1000113.8R205 S209 N239R205-D207 WeakPolarHBondContact CB-OD1 3.35Å; R205-D207 IonicContact CZ-OD1 3.69Å; R205-D207 IonicContact CZ-OD2 3.43Å; R205-D207 IonicContact NE-OD1 3.7Å; R205-D207 PolarHBondContact NE-OD1 3.14Å; R205-D207 IonicContact NE-OD2 3.06Å; R205-D207 PolarHBondContact NE-OD2 3.38Å; R205-D207 VanDerWaalsContact NH2-CB 3.27Å; R205-D207 IonicContact NH2-OD1 2.84Å; R205-D207 PolarHBondContact NH2-OD1 3.27Å; R205-D207 IonicContact NH2-OD2 3.5Å; R205-D207 PolarHBondContact NH2-OD2 3.06Å; R205-D207 PolarHBondContact O-N 3.27Å; D207-S209 VanDerWaalsContact C-N 3.3Å; D207-S209 VanDerWaalsContact CG-OG 3.26Å; D207-S209 PolarHBondContact O-N 3.3Å; D207-S209 VanDerWaalsContact OD1-CB 3.25Å; D207-S209 WeakPolarHBondContact OD1-CB 3.45Å; D207-S209 PolarHBondContact OD1-N 3Å; D207-S209 PolarHBondContact OD1-OG 3.28Å; D207-S209 PolarHBondContact OD2-OG 3.45Å; D207-S209 VanDerWaalsContact OD2-OG 3.13Å; D207-N239 WeakPolarHBondContact O-CB 3.45Å
208G91.6Very high94Very high4 Ų441.4 Ų41.44%0.04122%0.219CC..SBendtrans79.24.7-176.200000115.1R205 L206R205-G208 PolarHBondContact O-N 2.88Å; L206-G208 VanDerWaalsContact C-N 3.28Å
209S93.3Very high94Very high2 Ų239.6 Ų39.61%0.01420%0.201CC..  trans-82.6134.617868.90000112.3W180 D204 R205 D207W180-S209 PolarHBondContact NE1-O 3.36Å; W180-S209 PolarHBondContact NE1-OG 3.04Å; D204-S209 WeakPolarHBondContact CA-O 3.4Å; R205-S209 PolarHBondContact N-O 2.9Å; D207-S209 VanDerWaalsContact C-N 3.3Å; D207-S209 VanDerWaalsContact CG-OG 3.26Å; D207-S209 PolarHBondContact O-N 3.3Å; D207-S209 VanDerWaalsContact OD1-CB 3.25Å; D207-S209 WeakPolarHBondContact OD1-CB 3.45Å; D207-S209 PolarHBondContact OD1-N 3Å; D207-S209 PolarHBondContact OD1-OG 3.28Å; D207-S209 PolarHBondContact OD2-OG 3.45Å; D207-S209 VanDerWaalsContact OD2-OG 3.13Å
210T95.2Very high94.1Very high10 Ų1041.8 Ų41.86%0.06121%0.209CC..BIsolated β-bridgetrans-97.2168.4175.762.40000112.1W180 D204 L212 F213 K214 L237W180-T210 VanDerWaalsContact CD1-C 3.46Å; D204-T210 HydrophobicContact CB-CG2 4.16Å; T210-L212 VanDerWaalsContact C-N 3.26Å; T210-L212 PolarHBondContact O-N 3.31Å; T210-F213 WeakPolarHBondContact O-CB 3.35Å; T210-F213 PolarHBondContact O-N 3.37Å; T210-F213 PolarHBondContact OG1-N 2.95Å; T210-K214 PolarHBondContact O-N 3.25Å; T210-K214 VanDerWaalsContact O-N 3.11Å; T210-L237 HydrophobicContact CG2-CD1 4.16Å; T210-L237 HydrophobicContact CG2-CD2 3.68Å; T210-L237 HydrophobicContact CG2-CG 4.49Å
211A95.4Very high94.2Very high2 Ų239.3 Ų39.32%0.01720%0.196CC..Hα-helixtrans-55.7-42173.800000112L179 A183 K214 A215 L227L179-A211 HydrophobicContact CD2-CB 4.34Å; L179-A211 HydrophobicContact CG-CB 4.15Å; A183-A211 HydrophobicContact CB-CB 3.78Å; A183-A211 WeakPolarHBondContact CB-O 3.28Å; A211-K214 PolarHBondContact O-N 3.37Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 3.35Å; A211-L227 HydrophobicContact CB-CD1 4.26Å; A211-L227 HydrophobicContact CB-CD2 4.47Å
212L95.9Very high94.3Very high4 Ų438 Ų382%0.02120%0.201CC..Hα-helixtrans-65.4-44.8178.7-177.863.8000111.9T210 K214 A215 A216 V224 L227 P232 L234 A243 L259T210-L212 VanDerWaalsContact C-N 3.26Å; T210-L212 PolarHBondContact O-N 3.31Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 2.99Å; L212-A215 PolarHBondContact O-N 3.4Å; L212-A216 VanDerWaalsContact O-CB 3.24Å; L212-A216 WeakPolarHBondContact O-CB 3.49Å; L212-A216 PolarHBondContact O-N 3.11Å; L212-V224 HydrophobicContact CD1-CB 4.5Å; L212-V224 HydrophobicContact CD1-CG1 4.15Å; L212-V224 HydrophobicContact CD1-CG2 4.34Å; L212-L227 HydrophobicContact CB-CD1 4.07Å; L212-L227 HydrophobicContact CD1-CB 4.05Å; L212-L227 HydrophobicContact CD1-CD1 4.08Å; L212-P232 HydrophobicContact CD2-CB 3.96Å; L212-P232 HydrophobicContact CD2-CG 3.76Å; L212-L234 HydrophobicContact CD2-CD2 3.48Å; L212-L234 VanDerWaalsContact CD2-CD2 3.48Å; L212-A243 HydrophobicContact CD2-CB 3.92Å; L212-A243 HydrophobicContact CG-CB 3.89Å; L212-L259 HydrophobicContact CD1-CD2 4.36Å; L212-L259 HydrophobicContact CD2-CD2 4.37Å
213F95.1Very high94.6Very high24 Ų2435.4 Ų35.411%0.10519%0.187CC..Hα-helixtrans-54.9-48176-177.6-89.3000111.3T210 A216 L217 L237 N239 A246T210-F213 WeakPolarHBondContact O-CB 3.35Å; T210-F213 PolarHBondContact O-N 3.37Å; T210-F213 PolarHBondContact OG1-N 2.95Å; F213-A216 PolarHBondContact O-N 3.13Å; F213-L217 HydrophobicContact CE1-CD2 4.47Å; F213-L217 WeakPolarHBondContact O-CB 3.45Å; F213-L217 PolarHBondContact O-N 3.27Å; F213-L237 HydrophobicContact CB-CD1 3.58Å; F213-L237 HydrophobicContact CD2-CD1 3.59Å; F213-L237 HydrophobicContact CG-CD1 3.87Å; F213-N239 WeakPolarHBondContact CZ-ND2 3.46Å; F213-A246 HydrophobicContact CD1-CB 4.38Å; F213-A246 HydrophobicContact CD2-CB 3.68Å; F213-A246 HydrophobicContact CE1-CB 4.32Å; F213-A246 HydrophobicContact CE2-CB 3.63Å; F213-A246 HydrophobicContact CG-CB 4.07Å; F213-A246 HydrophobicContact CZ-CB 3.96Å; F213-A246 WeakPolarHBondContact O-CB 3.47Å
214K95.6Very high94.8Very high47 Ų4734.3 Ų34.320%0.20418%0.178CC..Hα-helixtrans-69.2-40.6-177.3-162.962.9166-166.20112.5W180 Q184 T210 A211 L212 L217 K218W180-K214 HydrophobicContact CH2-CD 4.18Å; W180-K214 HydrophobicContact CH2-CG 4.12Å; W180-K214 HydrophobicContact CZ2-CB 4.21Å; W180-K214 HydrophobicContact CZ2-CD 3.89Å; W180-K214 HydrophobicContact CZ2-CG 3.84Å; Q184-K214 HydrophobicContact CB-CG 3.85Å; Q184-K214 HydrophobicContact CG-CG 4.24Å; T210-K214 PolarHBondContact O-N 3.25Å; T210-K214 VanDerWaalsContact O-N 3.11Å; A211-K214 PolarHBondContact O-N 3.37Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 2.99Å; K214-L217 PolarHBondContact O-N 3.04Å; K214-K218 WeakPolarHBondContact O-CG 3.37Å; K214-K218 PolarHBondContact O-N 3.26Å; K214-K218 VanDerWaalsContact O-N 3.09Å
215A96.4Very high95Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-63.4-41.6175.400000112.1A183 A211 L212 K218 G219 H220 V223 V224 L227A183-A215 HydrophobicContact CB-CB 4.3Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 3.35Å; L212-A215 PolarHBondContact O-N 3.4Å; A215-K218 PolarHBondContact O-N 2.89Å; A215-G219 PolarHBondContact O-N 3.24Å; A215-H220 HydrophobicContact CB-CB 4.44Å; A215-H220 PolarHBondContact O-N 3.22Å; A215-V223 HydrophobicContact CB-CB 4.08Å; A215-V223 HydrophobicContact CB-CG1 3.48Å; A215-V223 VanDerWaalsContact CB-CG1 3.48Å; A215-V224 HydrophobicContact CB-CG2 3.91Å; A215-L227 HydrophobicContact CB-CD1 4.44Å
216A95.4Very high95.1Very high0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-62.6-47.917600000111.6L212 F213 K218 G219 A243 A246 A247 L259L212-A216 VanDerWaalsContact O-CB 3.24Å; L212-A216 WeakPolarHBondContact O-CB 3.49Å; L212-A216 PolarHBondContact O-N 3.11Å; F213-A216 PolarHBondContact O-N 3.13Å; A216-K218 VanDerWaalsContact C-N 3.29Å; A216-K218 PolarHBondContact O-N 2.61Å; A216-G219 PolarHBondContact O-N 3.09Å; A216-G219 VanDerWaalsContact O-N 3.11Å; A216-A243 WeakPolarHBondContact CB-O 3.02Å; A216-A246 HydrophobicContact CB-CB 4.23Å; A216-A247 HydrophobicContact CB-CB 4.1Å; A216-L259 HydrophobicContact CB-CD1 4.19Å
217L95.1Very high95.2Very high50 Ų5026.7 Ų26.726%0.26214%0.14SC..Hα-helixtrans-59-38.5177.7-174.964.3000112.8F213 K214 A246 M249 G250F213-L217 HydrophobicContact CE1-CD2 4.47Å; F213-L217 WeakPolarHBondContact O-CB 3.45Å; F213-L217 PolarHBondContact O-N 3.27Å; K214-L217 PolarHBondContact O-N 3.04Å; L217-A246 WeakPolarHBondContact CA-O 3.45Å; L217-A246 HydrophobicContact CB-CB 4.04Å; L217-M249 HydrophobicContact CD1-CB 4.02Å; L217-G250 VanDerWaalsContact O-CA 3.29Å; L217-G250 WeakPolarHBondContact O-CA 3.46Å
218K95.8Very high95.3Very high125 Ų12524.9 Ų24.954%0.54313%0.13SC..Hα-helixtrans-84.4-10179.2-69.1-66.9-174.1178.50113.7K214 A215 A216K214-K218 WeakPolarHBondContact O-CG 3.37Å; K214-K218 PolarHBondContact O-N 3.26Å; K214-K218 VanDerWaalsContact O-N 3.09Å; A215-K218 PolarHBondContact O-N 2.89Å; A216-K218 VanDerWaalsContact C-N 3.29Å; A216-K218 PolarHBondContact O-N 2.61Å
219G95.4Very high95.3Very high10 Ų1031.2 Ų31.210%0.10316%0.157CC..THydrogen-bonded Turntrans7823.2-179.900000114.6A215 A216 N221 N252A215-G219 PolarHBondContact O-N 3.24Å; A216-G219 PolarHBondContact O-N 3.09Å; A216-G219 VanDerWaalsContact O-N 3.11Å; G219-N221 VanDerWaalsContact C-N 3.31Å; G219-N221 PolarHBondContact O-N 2.63Å; G219-N252 VanDerWaalsContact CA-ND2 3.31Å; G219-N252 WeakPolarHBondContact CA-ND2 3.25Å; G219-N252 PolarHBondContact O-ND2 3.44Å
220H97.1Very high95.1Very high57 Ų5734.6 Ų34.626%0.26417%0.171SC..  trans-79.576.5-177.1-66.6-39.1000111.4A183 Q184 G186 A215 G222 V223 V224A183-H220 PolarHBondContact O-CD2 3.16Å; A183-H220 VanDerWaalsContact O-CD2 3.28Å; Q184-H220 PolarHBondContact O-CD2 3.46Å; Q184-H220 PolarHBondContact O-NE2 2.93Å; G186-H220 VanDerWaalsContact CA-CD2 3.44Å; G186-H220 WeakPolarHBondContact CA-CD2 3.2Å; A215-H220 HydrophobicContact CB-CB 4.44Å; A215-H220 PolarHBondContact O-N 3.22Å; H220-G222 VanDerWaalsContact C-N 3.32Å; H220-G222 PolarHBondContact O-N 3.5Å; H220-V223 HydrophobicContact CB-CB 4.09Å; H220-V223 HydrophobicContact CB-CG2 4.23Å; H220-V223 PolarHBondContact O-N 3.06Å; H220-V224 PolarHBondContact O-N 3.22Å
221N95.9Very high94.5Very high34 Ų3438.6 Ų38.618%0.18220%0.2CC..Hα-helixtrans-50.7-45.8-174.2-62.3-46.4000113.6G219 V223 V224 E225 R254 T255 L258G219-N221 VanDerWaalsContact C-N 3.31Å; G219-N221 PolarHBondContact O-N 2.63Å; N221-V223 VanDerWaalsContact C-N 3.32Å; N221-V223 PolarHBondContact O-N 2.85Å; N221-V224 PolarHBondContact O-N 3.02Å; N221-E225 WeakPolarHBondContact O-CB 3.36Å; N221-E225 WeakPolarHBondContact O-CG 3.35Å; N221-E225 PolarHBondContact O-N 3.4Å; N221-R254 HydrophobicContact CB-CG 4.46Å; N221-T255 WeakPolarHBondContact OD1-CG2 3.49Å; N221-T255 PolarHBondContact OD1-N 3.41Å; N221-L258 HydrophobicContact CB-CD1 4.19Å
222G96.2Very high93.6Very high32 Ų3239.2 Ų39.233%0.3320%0.204SC..Hα-helixtrans-65.1-34.4-17900000113.2H220 E226H220-G222 VanDerWaalsContact C-N 3.32Å; H220-G222 PolarHBondContact O-N 3.5Å; G222-E226 WeakPolarHBondContact O-CG 3.48Å; G222-E226 PolarHBondContact O-N 3.04Å; G222-E226 VanDerWaalsContact O-N 3.14Å
223V96.9Very high92.8Very high1 Ų141.7 Ų41.71%0.00622%0.224CC..Hα-helixtrans-70.2-43.5173.8169.30000110.7A183 G186 V191 A215 H220 N221 E226 L227A183-V223 HydrophobicContact CB-CG1 3.78Å; G186-V223 VanDerWaalsContact C-CG2 3.48Å; V191-V223 HydrophobicContact CG1-CG1 4.4Å; V191-V223 HydrophobicContact CG2-CG1 4.01Å; V191-V223 HydrophobicContact CG2-CG2 4.23Å; A215-V223 HydrophobicContact CB-CB 4.08Å; A215-V223 HydrophobicContact CB-CG1 3.48Å; A215-V223 VanDerWaalsContact CB-CG1 3.48Å; H220-V223 HydrophobicContact CB-CB 4.09Å; H220-V223 HydrophobicContact CB-CG2 4.23Å; H220-V223 PolarHBondContact O-N 3.06Å; N221-V223 VanDerWaalsContact C-N 3.32Å; N221-V223 PolarHBondContact O-N 2.85Å; V223-E226 PolarHBondContact O-N 3.22Å; V223-L227 HydrophobicContact CG1-CD1 3.68Å; V223-L227 HydrophobicContact CG1-CG 4.28Å; V223-L227 WeakPolarHBondContact O-CG 3.19Å; V223-L227 PolarHBondContact O-N 2.95Å
224V96Very high92.3Very high0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-59.9-47.3177.4172.80000110.2L212 A215 H220 N221 E226 L227 L228 T255 L258 L259L212-V224 HydrophobicContact CD1-CB 4.5Å; L212-V224 HydrophobicContact CD1-CG1 4.15Å; L212-V224 HydrophobicContact CD1-CG2 4.34Å; A215-V224 HydrophobicContact CB-CG2 3.91Å; H220-V224 PolarHBondContact O-N 3.22Å; N221-V224 PolarHBondContact O-N 3.02Å; V224-E226 VanDerWaalsContact C-N 3.35Å; V224-E226 PolarHBondContact O-N 3.49Å; V224-L227 PolarHBondContact O-N 3.02Å; V224-L228 HydrophobicContact CG1-CD1 3.71Å; V224-L228 HydrophobicContact CG1-CG 4.14Å; V224-L228 WeakPolarHBondContact O-CB 3.4Å; V224-L228 WeakPolarHBondContact O-CG 3.44Å; V224-L228 PolarHBondContact O-N 3.43Å; V224-T255 HydrophobicContact CG2-CG2 4.17Å; V224-L258 HydrophobicContact CG1-CB 4.22Å; V224-L258 HydrophobicContact CG1-CD1 4.28Å; V224-L259 HydrophobicContact CG1-CD2 4.33Å
225E95.4Very high91.6Very high63 Ų6341.5 Ų41.529%0.29424%0.235SC..Hα-helixtrans-56.9-45.6175.6-74.1171.6-165.400111.8N221 K229 R254 L258N221-E225 WeakPolarHBondContact O-CB 3.36Å; N221-E225 WeakPolarHBondContact O-CG 3.35Å; N221-E225 PolarHBondContact O-N 3.4Å; E225-K229 WeakPolarHBondContact O-CG 3.24Å; E225-K229 PolarHBondContact O-N 3.43Å; E225-R254 IonicContact OE1-CZ 2.7Å; E225-R254 IonicContact OE1-NE 2.99Å; E225-R254 IonicContact OE1-NH2 3.74Å; E225-R254 PolarHBondContact OE1-NH2 3.19Å; E225-L258 HydrophobicContact CG-CD1 3.68Å; E225-L258 HydrophobicContact CG-CD2 3.69Å; E225-L258 HydrophobicContact CG-CG 4.33Å
226E95.3Very high91Very high28 Ų2845.8 Ų45.813%0.13126%0.258CS..Hα-helixtrans-65.1-44.1176.8-71.6-58.1140.500112.5V191 K192 G222 V223 V224 L228 K229 F230V191-E226 HydrophobicContact CG1-CB 4.2Å; K192-E226 HydrophobicContact CB-CG 4.33Å; G222-E226 WeakPolarHBondContact O-CG 3.48Å; G222-E226 PolarHBondContact O-N 3.04Å; G222-E226 VanDerWaalsContact O-N 3.14Å; V223-E226 PolarHBondContact O-N 3.22Å; V224-E226 VanDerWaalsContact C-N 3.35Å; V224-E226 PolarHBondContact O-N 3.49Å; E226-L228 VanDerWaalsContact C-N 3.35Å; E226-L228 PolarHBondContact O-N 2.96Å; E226-K229 PolarHBondContact O-N 2.89Å; E226-K229 IonicContact OE1-NZ 2.98Å; E226-K229 PolarHBondContact OE1-NZ 3.37Å; E226-K229 IonicContact OE2-NZ 3.59Å; E226-F230 VanDerWaalsContact O-CD2 3.28Å; E226-F230 WeakPolarHBondContact O-CD2 3.48Å
227L94.5Very high90.7Very high1 Ų147 Ų471%0.00526%0.264CS..Hα-helixtrans-64.1-39.8178.6-74166.9000112L179 V191 L195 R201 A211 L212 A215 V223 V224 K229 F230 P232L179-L227 HydrophobicContact CD2-CD2 4.39Å; V191-L227 HydrophobicContact CG1-CD2 4.03Å; V191-L227 HydrophobicContact CG1-CG 3.99Å; L195-L227 HydrophobicContact CD1-CD2 4Å; L195-L227 HydrophobicContact CD2-CD2 4.41Å; R201-L227 HydrophobicContact CG-CD2 4.16Å; A211-L227 HydrophobicContact CB-CD1 4.26Å; A211-L227 HydrophobicContact CB-CD2 4.47Å; L212-L227 HydrophobicContact CB-CD1 4.07Å; L212-L227 HydrophobicContact CD1-CB 4.05Å; L212-L227 HydrophobicContact CD1-CD1 4.08Å; A215-L227 HydrophobicContact CB-CD1 4.44Å; V223-L227 HydrophobicContact CG1-CD1 3.68Å; V223-L227 HydrophobicContact CG1-CG 4.28Å; V223-L227 WeakPolarHBondContact O-CG 3.19Å; V223-L227 PolarHBondContact O-N 2.95Å; V224-L227 PolarHBondContact O-N 3.02Å; L227-K229 VanDerWaalsContact C-N 3.32Å; L227-K229 PolarHBondContact O-N 3.35Å; L227-F230 PolarHBondContact O-N 3.42Å; L227-P232 WeakPolarHBondContact O-CD 3.06Å
228L93.4Very high90.4Very high29 Ų2952.4 Ų52.415%0.15229%0.285CS..Hα-helixtrans-64.5-32.7179.4-73.2176.6000113V224 E226 F230 S231 P232 L234 L258 L259 A262V224-L228 HydrophobicContact CG1-CD1 3.71Å; V224-L228 HydrophobicContact CG1-CG 4.14Å; V224-L228 WeakPolarHBondContact O-CB 3.4Å; V224-L228 WeakPolarHBondContact O-CG 3.44Å; V224-L228 PolarHBondContact O-N 3.43Å; E226-L228 VanDerWaalsContact C-N 3.35Å; E226-L228 PolarHBondContact O-N 2.96Å; L228-F230 PolarHBondContact O-N 3.45Å; L228-F230 VanDerWaalsContact O-N 3.13Å; L228-S231 PolarHBondContact O-N 2.96Å; L228-P232 HydrophobicContact CD2-CG 3.78Å; L228-L234 HydrophobicContact CD2-CD2 3.98Å; L228-L258 HydrophobicContact CD1-CB 4.15Å; L228-L259 HydrophobicContact CD2-CD2 4.23Å; L228-A262 HydrophobicContact CD1-CB 3.97Å; L228-A262 HydrophobicContact CD2-CB 3.63Å; L228-A262 HydrophobicContact CG-CB 4.31Å
229K92.7Very high89.9Confident137 Ų13747.9 Ų47.960%0.59627%0.267SS*.THydrogen-bonded Turntrans-58.5-25.2176.1-73.5170.5-169.6175.50113.5E225 E226 L227E225-K229 WeakPolarHBondContact O-CG 3.24Å; E225-K229 PolarHBondContact O-N 3.43Å; E226-K229 PolarHBondContact O-N 2.89Å; E226-K229 IonicContact OE1-NZ 2.98Å; E226-K229 PolarHBondContact OE1-NZ 3.37Å; E226-K229 IonicContact OE2-NZ 3.59Å; L227-K229 VanDerWaalsContact C-N 3.32Å; L227-K229 PolarHBondContact O-N 3.35Å
230F88.9Confident89.5Confident72 Ų7247.9 Ų47.932%0.31627%0.267SS..THydrogen-bonded Turntrans-91.93.2-179.8-69.1-94.2000112.9L195 L196 R201 E226 L227 L228L195-F230 HydrophobicContact CB-CD1 4.44Å; L195-F230 HydrophobicContact CB-CD2 4.18Å; L195-F230 HydrophobicContact CB-CE1 4.11Å; L195-F230 HydrophobicContact CB-CE2 3.84Å; L195-F230 HydrophobicContact CB-CG 4.47Å; L195-F230 HydrophobicContact CB-CZ 3.8Å; L195-F230 HydrophobicContact CD1-CD2 3.56Å; L195-F230 HydrophobicContact CD1-CE2 3.69Å; L195-F230 HydrophobicContact CD1-CG 4.29Å; L195-F230 HydrophobicContact CG-CD2 4.36Å; L195-F230 HydrophobicContact CG-CE2 4.38Å; L196-F230 HydrophobicContact CD2-CZ 4.16Å; L196-F230 HydrophobicContact CG-CZ 4.41Å; R201-F230 PolarHBondContact NH1-O 3.09Å; E226-F230 VanDerWaalsContact O-CD2 3.28Å; E226-F230 WeakPolarHBondContact O-CD2 3.48Å; L227-F230 PolarHBondContact O-N 3.42Å; L228-F230 PolarHBondContact O-N 3.45Å; L228-F230 VanDerWaalsContact O-N 3.13Å
231S81Confident89.2Confident95 Ų9546 Ų4666%0.66426%0.26SS*.  trans64.565.3-177.7-540000114.8R201 L228R201-S231 PolarHBondContact NH1-O 3.24Å; R201-S231 PolarHBondContact NH2-O 3.42Å; L228-S231 PolarHBondContact O-N 2.96Å
232P77.1Confident89Confident15 Ų1544.4 Ų44.410%0.09725%0.252CS..  trans-72.5158.3179.431.5-32.6000113.8R201 L212 L227 L228 L234R201-P232 HydrophobicContact CG-CB 4.36Å; L212-P232 HydrophobicContact CD2-CB 3.96Å; L212-P232 HydrophobicContact CD2-CG 3.76Å; L227-P232 WeakPolarHBondContact O-CD 3.06Å; L228-P232 HydrophobicContact CD2-CG 3.78Å; P232-L234 HydrophobicContact CG-CD2 4.16Å; P232-L234 PolarHBondContact O-N 3.08Å
233A80.6Confident88.8Confident55 Ų5543 Ų4346%0.45524%0.238SC..  trans-67119.3168.700000109.9D202D202-A233 PolarHBondContact OD1-N 3.28Å
234L82.9Confident88.6Confident31 Ų3143 Ų4316%0.16224%0.238CC..  trans-102.71.4-179.7-61.3179.4000113.6L212 L228 P232 L259 A262 A264L212-L234 HydrophobicContact CD2-CD2 3.48Å; L212-L234 VanDerWaalsContact CD2-CD2 3.48Å; L228-L234 HydrophobicContact CD2-CD2 3.98Å; P232-L234 HydrophobicContact CG-CD2 4.16Å; P232-L234 PolarHBondContact O-N 3.08Å; L234-L259 HydrophobicContact CD2-CD2 4.1Å; L234-A262 HydrophobicContact CD1-CB 4.02Å; L234-A262 WeakPolarHBondContact CD1-O 3.28Å; L234-A264 HydrophobicContact CD1-CB 4.26Å
235G81.9Confident88.5Confident37 Ų3743 Ų4338%0.38124%0.238SC..SBendtrans-73.5-165.6178.600000113.5L237G235-L237 PolarHBondContact O-N 3.16Å
236L84.1Confident88.4Confident89 Ų8940 Ų4047%0.46622%0.224SC..  trans-66.8132.2173.3-66.8179.9000110.4L268 P269L236-L268 HydrophobicContact CD1-CD1 4.34Å; L236-L268 HydrophobicContact CD2-CD1 4.44Å; L236-L268 HydrophobicContact CD2-CD2 3.83Å; L236-L268 HydrophobicContact CD2-CG 3.92Å; L236-L268 HydrophobicContact CG-CD1 4.09Å; L236-L268 HydrophobicContact CG-CD2 3.92Å; L236-L268 HydrophobicContact CG-CG 4.07Å; L236-P269 WeakPolarHBondContact CD2-O 3.42Å
237L89.4Confident88.3Confident26 Ų2638.7 Ų38.714%0.13622%0.217CC..  trans-85.3173.2171.9-54.3176.3000109.8T210 F213 G235 N239 G240 S241T210-L237 HydrophobicContact CG2-CD1 4.16Å; T210-L237 HydrophobicContact CG2-CD2 3.68Å; T210-L237 HydrophobicContact CG2-CG 4.49Å; F213-L237 HydrophobicContact CB-CD1 3.58Å; F213-L237 HydrophobicContact CD2-CD1 3.59Å; F213-L237 HydrophobicContact CG-CD1 3.87Å; G235-L237 PolarHBondContact O-N 3.16Å; L237-N239 WeakPolarHBondContact CB-OD1 3.5Å; L237-N239 PolarHBondContact O-N 3.19Å; L237-N239 VanDerWaalsContact O-N 3.09Å; L237-G240 PolarHBondContact O-N 2.96Å; L237-S241 WeakPolarHBondContact CB-O 3.5Å; L237-S241 WeakPolarHBondContact CG-O 3.27Å; L237-S241 PolarHBondContact N-O 3.46Å; L237-S241 VanDerWaalsContact N-O 3.08Å
238K87.5Confident88.2Confident163 Ų16338.8 Ų38.871%0.70922%0.218SC*.THydrogen-bonded Turntrans-62.7-18.1178.1-59.8-168.2-163.2138.70113.4D204 G240D204-K238 IonicContact OD1-NZ 3.41Å; D204-K238 PolarHBondContact OD1-NZ 3.46Å; D204-K238 WeakPolarHBondContact OD2-CD 3.33Å; D204-K238 WeakPolarHBondContact OD2-CE 3.48Å; D204-K238 WeakPolarHBondContact OD2-CG 3.38Å; D204-K238 IonicContact OD2-NZ 3.36Å; D204-K238 PolarHBondContact OD2-NZ 2.97Å; K238-G240 PolarHBondContact O-N 3.47Å
239N84.7Confident88.1Confident30 Ų3042.8 Ų42.816%0.1624%0.237CC..THydrogen-bonded Turntrans-83.79.4174.275-0.8000114D207 F213 L237 S241D207-N239 WeakPolarHBondContact O-CB 3.45Å; F213-N239 WeakPolarHBondContact CZ-ND2 3.46Å; L237-N239 WeakPolarHBondContact CB-OD1 3.5Å; L237-N239 PolarHBondContact O-N 3.19Å; L237-N239 VanDerWaalsContact O-N 3.09Å; N239-S241 PolarHBondContact O-N 2.84Å; N239-S241 PolarHBondContact OD1-N 3.18Å; N239-S241 PolarHBondContact OD1-O 3.04Å
240G87.8Confident88Confident10 Ų1038 Ų3810%0.10323%0.227CC..SBendtrans745.8177.600000115L237 K238 N270 E271L237-G240 PolarHBondContact O-N 2.96Å; K238-G240 PolarHBondContact O-N 3.47Å; G240-N270 CarbonylContact O-C 3.41Å; G240-N270 WeakPolarHBondContact O-CA 3.26Å; G240-N270 WeakPolarHBondContact O-CB 3.47Å; G240-E271 PolarHBondContact O-N 3.06Å
241S90.6Very high88.2Confident17 Ų1736.8 Ų36.812%0.11924%0.235CC..  trans-126151.3-179.5-680000111.7L237 N239L237-S241 WeakPolarHBondContact CB-O 3.5Å; L237-S241 WeakPolarHBondContact CG-O 3.27Å; L237-S241 PolarHBondContact N-O 3.46Å; L237-S241 VanDerWaalsContact N-O 3.08Å; N239-S241 PolarHBondContact O-N 2.84Å; N239-S241 PolarHBondContact OD1-N 3.18Å; N239-S241 PolarHBondContact OD1-O 3.04Å
242S92.8Very high88.6Confident1 Ų134.3 Ų34.31%0.00721%0.214CC..  trans-93.8166.5173.478.40000111.9L244 H245 A246S242-L244 PolarHBondContact O-N 2.88Å; S242-L244 PolarHBondContact OG-N 3.47Å; S242-H245 PolarHBondContact N-ND1 2.94Å; S242-H245 PolarHBondContact O-N 3.43Å; S242-H245 PolarHBondContact OG-N 3.11Å; S242-H245 PolarHBondContact OG-ND1 2.93Å; S242-A246 PolarHBondContact O-N 2.96Å
243A91.8Very high89.3Confident4 Ų436.7 Ų36.73%0.03323%0.225CC..Hα-helixtrans-59.7-27.5172.200000112.7L212 A216 A246 A247 L259L212-A243 HydrophobicContact CD2-CB 3.92Å; L212-A243 HydrophobicContact CG-CB 3.89Å; A216-A243 WeakPolarHBondContact CB-O 3.02Å; A243-A246 WeakPolarHBondContact O-CB 3.31Å; A243-A246 PolarHBondContact O-N 3.37Å; A243-A247 PolarHBondContact O-N 3.28Å; A243-L259 HydrophobicContact CB-CD1 4.19Å; A243-L259 HydrophobicContact CB-CD2 4.16Å; A243-L259 VanDerWaalsContact O-CD1 3.28Å; A243-L259 WeakPolarHBondContact O-CD1 3.33Å
244L92.4Very high89.9Confident1 Ų140.4 Ų40.41%0.00523%0.227CC..Hα-helixtrans-71-42.3177.6-174.561.6000111.6S242 A246 A247 V248 V256 L259 L260 A264 P266 P276 L289S242-L244 PolarHBondContact O-N 2.88Å; S242-L244 PolarHBondContact OG-N 3.47Å; L244-A246 VanDerWaalsContact C-N 3.28Å; L244-A246 PolarHBondContact O-N 2.95Å; L244-A247 PolarHBondContact O-N 3.31Å; L244-V248 HydrophobicContact CD1-CG2 4.44Å; L244-V248 VanDerWaalsContact O-CG2 3.32Å; L244-V248 WeakPolarHBondContact O-CG2 3.17Å; L244-V248 PolarHBondContact O-N 3.3Å; L244-V256 HydrophobicContact CD1-CG1 4.11Å; L244-L259 HydrophobicContact CB-CD1 4.49Å; L244-L259 HydrophobicContact CD1-CB 4.15Å; L244-L259 HydrophobicContact CD1-CD1 4.36Å; L244-L260 HydrophobicContact CD1-CD2 4.34Å; L244-L260 HydrophobicContact CD1-CG 4.3Å; L244-L260 HydrophobicContact CD2-CD2 3.93Å; L244-A264 HydrophobicContact CB-CB 4.28Å; L244-A264 HydrophobicContact CD2-CB 4.3Å; L244-P266 HydrophobicContact CD2-CB 4.1Å; L244-P276 HydrophobicContact CD2-CB 4.36Å; L244-P276 HydrophobicContact CD2-CG 4.1Å; L244-P276 HydrophobicContact CG-CB 4.19Å; L244-P276 HydrophobicContact CG-CG 4.22Å; L244-L289 HydrophobicContact CD1-CD2 4.4Å; L244-L289 HydrophobicContact CD2-CD2 4.26Å
245H93.3Very high90.4Very high0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-55.4-47.5171.7-64.991.7000110.5S242 A247 V248 M249 L268 N270 E274 P276 L279S242-H245 PolarHBondContact N-ND1 2.94Å; S242-H245 PolarHBondContact O-N 3.43Å; S242-H245 PolarHBondContact OG-N 3.11Å; S242-H245 PolarHBondContact OG-ND1 2.93Å; H245-A247 PolarHBondContact O-N 3.05Å; H245-V248 PolarHBondContact O-N 3.11Å; H245-M249 VanDerWaalsContact O-CG 3.28Å; H245-M249 WeakPolarHBondContact O-CG 3.28Å; H245-M249 PolarHBondContact O-N 3.22Å; H245-L268 PolarHBondContact CE1-O 2.81Å; H245-L268 PolarHBondContact NE2-O 3.24Å; H245-N270 PolarHBondContact NE2-N 3.47Å; H245-E274 PolarHBondContact NE2-O 3.37Å; H245-P276 WeakPolarHBondContact NE2-CD 3.34Å; H245-L279 HydrophobicContact CB-CD1 3.9Å
246A92.7Very high91Very high0 Ų037.2 Ų37.20%020%0.202CC..Hα-helixtrans-58.5-46.8176.300000113.1F213 A216 L217 S242 A243 L244 V248 M249 G250F213-A246 HydrophobicContact CD1-CB 4.38Å; F213-A246 HydrophobicContact CD2-CB 3.68Å; F213-A246 HydrophobicContact CE1-CB 4.32Å; F213-A246 HydrophobicContact CE2-CB 3.63Å; F213-A246 HydrophobicContact CG-CB 4.07Å; F213-A246 HydrophobicContact CZ-CB 3.96Å; F213-A246 WeakPolarHBondContact O-CB 3.47Å; A216-A246 HydrophobicContact CB-CB 4.23Å; L217-A246 WeakPolarHBondContact CA-O 3.45Å; L217-A246 HydrophobicContact CB-CB 4.04Å; S242-A246 PolarHBondContact O-N 2.96Å; A243-A246 WeakPolarHBondContact O-CB 3.31Å; A243-A246 PolarHBondContact O-N 3.37Å; L244-A246 VanDerWaalsContact C-N 3.28Å; L244-A246 PolarHBondContact O-N 2.95Å; A246-V248 VanDerWaalsContact C-N 3.29Å; A246-V248 PolarHBondContact O-N 3.33Å; A246-M249 PolarHBondContact O-N 2.96Å; A246-G250 PolarHBondContact O-N 2.85Å
247A93.8Very high91.4Very high0 Ų037.3 Ų37.30%020%0.202CC..Hα-helixtrans-60.1-39.9177.700000112.6A216 A243 L244 H245 G250 G251 N252 T255 V256 L259A216-A247 HydrophobicContact CB-CB 4.1Å; A243-A247 PolarHBondContact O-N 3.28Å; L244-A247 PolarHBondContact O-N 3.31Å; H245-A247 PolarHBondContact O-N 3.05Å; A247-G250 PolarHBondContact O-N 3.29Å; A247-G251 PolarHBondContact O-N 3.21Å; A247-N252 PolarHBondContact O-N 2.99Å; A247-T255 WeakPolarHBondContact CB-OG1 3.44Å; A247-V256 HydrophobicContact CB-CG2 3.84Å; A247-L259 HydrophobicContact CB-CD1 3.57Å
248V93.6Very high91.6Very high2 Ų238 Ų381%0.01221%0.206CC..Hα-helixtrans-71.1-43.3179.7177.40000111.4L244 H245 A246 G250 G251 V256 P276 L279 T280 I285 L289L244-V248 HydrophobicContact CD1-CG2 4.44Å; L244-V248 VanDerWaalsContact O-CG2 3.32Å; L244-V248 WeakPolarHBondContact O-CG2 3.17Å; L244-V248 PolarHBondContact O-N 3.3Å; H245-V248 PolarHBondContact O-N 3.11Å; A246-V248 VanDerWaalsContact C-N 3.29Å; A246-V248 PolarHBondContact O-N 3.33Å; V248-G250 VanDerWaalsContact C-N 3.26Å; V248-G250 PolarHBondContact O-N 3.23Å; V248-G251 WeakPolarHBondContact O-CA 3.31Å; V248-G251 PolarHBondContact O-N 2.95Å; V248-V256 HydrophobicContact CG2-CG2 3.76Å; V248-P276 WeakPolarHBondContact CG1-O 3.5Å; V248-P276 HydrophobicContact CG2-CB 4.11Å; V248-L279 HydrophobicContact CG1-CB 4.47Å; V248-T280 HydrophobicContact CG1-CG2 3.45Å; V248-T280 VanDerWaalsContact CG1-CG2 3.45Å; V248-I285 HydrophobicContact CG1-CG2 4.04Å; V248-I285 HydrophobicContact CG2-CG2 4.03Å; V248-L289 HydrophobicContact CG2-CD1 4.09Å; V248-L289 HydrophobicContact CG2-CD2 4.46Å
249M91.4Very high91.8Very high114 Ų11430.2 Ų30.256%0.56217%0.172SC*.Hα-helixtrans-60.4-37.1172.2-69.217374.300112.1L217 H245 A246 G251 L279L217-M249 HydrophobicContact CD1-CB 4.02Å; H245-M249 VanDerWaalsContact O-CG 3.28Å; H245-M249 WeakPolarHBondContact O-CG 3.28Å; H245-M249 PolarHBondContact O-N 3.22Å; A246-M249 PolarHBondContact O-N 2.96Å; M249-G251 PolarHBondContact O-N 3.46Å; M249-L279 HydrophobicContact CG-CB 4.2Å; M249-L279 HydrophobicContact CG-CD1 3.87Å; M249-L279 HydrophobicContact SD-CD1 4.1Å
250G90.4Very high92.1Very high36 Ų3629 Ų2937%0.37117%0.165SC..THydrogen-bonded Turntrans-69.7-13.2174.300000114L217 A246 A247 V248 N252L217-G250 VanDerWaalsContact O-CA 3.29Å; L217-G250 WeakPolarHBondContact O-CA 3.46Å; A246-G250 PolarHBondContact O-N 2.85Å; A247-G250 PolarHBondContact O-N 3.29Å; V248-G250 VanDerWaalsContact C-N 3.26Å; V248-G250 PolarHBondContact O-N 3.23Å; G250-N252 PolarHBondContact O-N 3.39Å
251G91.6Very high92.2Very high47 Ų4731.4 Ų31.449%0.48519%0.19SC..THydrogen-bonded Turntrans69.612.2176.300000115A247 V248 M249 I253A247-G251 PolarHBondContact O-N 3.21Å; V248-G251 WeakPolarHBondContact O-CA 3.31Å; V248-G251 PolarHBondContact O-N 2.95Å; M249-G251 PolarHBondContact O-N 3.46Å; G251-I253 PolarHBondContact O-N 3.45Å
252N90.4Very high92.1Very high42 Ų4232.2 Ų32.223%0.22520%0.198CC..  trans-93.5105.3-176.7-171-39.4000110.7G219 A247 G250 R254 T255 V256G219-N252 VanDerWaalsContact CA-ND2 3.31Å; G219-N252 WeakPolarHBondContact CA-ND2 3.25Å; G219-N252 PolarHBondContact O-ND2 3.44Å; A247-N252 PolarHBondContact O-N 2.99Å; G250-N252 PolarHBondContact O-N 3.39Å; N252-R254 PolarHBondContact O-N 2.88Å; N252-R254 WeakPolarHBondContact OD1-CB 3.32Å; N252-R254 PolarHBondContact OD1-N 3.4Å; N252-T255 HydrophobicContact CB-CG2 4.31Å; N252-T255 WeakPolarHBondContact CB-OG1 3.48Å; N252-T255 PolarHBondContact O-N 2.99Å; N252-T255 PolarHBondContact O-OG1 3.38Å; N252-T255 PolarHBondContact OD1-N 3.31Å; N252-V256 WeakPolarHBondContact O-CG2 3.41Å; N252-V256 PolarHBondContact O-N 2.82Å
253I91.9Very high91.9Very high66 Ų6638.3 Ų38.334%0.33823%0.231SC..Hα-helixtrans-61.1-31.5-177.9-167.5165.4000113.2G251 V256 L257 R284 I285 V288G251-I253 PolarHBondContact O-N 3.45Å; I253-V256 PolarHBondContact O-N 3.21Å; I253-L257 HydrophobicContact CG1-CD1 4.36Å; I253-L257 WeakPolarHBondContact O-CG 3.29Å; I253-L257 PolarHBondContact O-N 3.44Å; I253-R284 HydrophobicContact CD1-CB 3.88Å; I253-I285 HydrophobicContact CB-CG1 4.36Å; I253-I285 HydrophobicContact CG1-CG1 4.47Å; I253-V288 HydrophobicContact CD1-CG2 4.18Å; I253-V288 HydrophobicContact CG1-CG2 4.41Å
254R93.3Very high91.8Very high133 Ų13338.5 Ų38.550%0.50223%0.232SC..Hα-helixtrans-72.5-40.9-178.3-177.8169.4169.5177.1-2.1110.9N221 E225 N252 V256 L257 L258N221-R254 HydrophobicContact CB-CG 4.46Å; E225-R254 IonicContact OE1-CZ 2.7Å; E225-R254 IonicContact OE1-NE 2.99Å; E225-R254 IonicContact OE1-NH2 3.74Å; E225-R254 PolarHBondContact OE1-NH2 3.19Å; N252-R254 PolarHBondContact O-N 2.88Å; N252-R254 WeakPolarHBondContact OD1-CB 3.32Å; N252-R254 PolarHBondContact OD1-N 3.4Å; R254-V256 VanDerWaalsContact C-N 3.31Å; R254-V256 PolarHBondContact O-N 3.39Å; R254-L257 PolarHBondContact O-N 3.34Å; R254-L258 HydrophobicContact CG-CD1 4.29Å; R254-L258 VanDerWaalsContact O-CG 3.27Å; R254-L258 WeakPolarHBondContact O-CG 3.48Å; R254-L258 PolarHBondContact O-N 3.24Å
255T93.6Very high91.5Very high0 Ų042.1 Ų42.10%025%0.251CS..Hα-helixtrans-63.9-39173.754.90000111.5N221 V224 A247 N252 L258 L259N221-T255 WeakPolarHBondContact OD1-CG2 3.49Å; N221-T255 PolarHBondContact OD1-N 3.41Å; V224-T255 HydrophobicContact CG2-CG2 4.17Å; A247-T255 WeakPolarHBondContact CB-OG1 3.44Å; N252-T255 HydrophobicContact CB-CG2 4.31Å; N252-T255 WeakPolarHBondContact CB-OG1 3.48Å; N252-T255 PolarHBondContact O-N 2.99Å; N252-T255 PolarHBondContact O-OG1 3.38Å; N252-T255 PolarHBondContact OD1-N 3.31Å; T255-L258 PolarHBondContact O-N 3.24Å; T255-L259 WeakPolarHBondContact O-CG 3.38Å; T255-L259 PolarHBondContact O-N 3.14Å
256V93.3Very high91.3Very high0 Ų043.1 Ų43.10%026%0.258CS..Hα-helixtrans-58.8-48.7174173.50000111L244 A247 V248 N252 I253 R254 L258 L259 L260 I285 V288 L289L244-V256 HydrophobicContact CD1-CG1 4.11Å; A247-V256 HydrophobicContact CB-CG2 3.84Å; V248-V256 HydrophobicContact CG2-CG2 3.76Å; N252-V256 WeakPolarHBondContact O-CG2 3.41Å; N252-V256 PolarHBondContact O-N 2.82Å; I253-V256 PolarHBondContact O-N 3.21Å; R254-V256 VanDerWaalsContact C-N 3.31Å; R254-V256 PolarHBondContact O-N 3.39Å; V256-L258 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 2.93Å; V256-L259 PolarHBondContact O-N 2.88Å; V256-L260 HydrophobicContact CG1-CD1 3.81Å; V256-L260 HydrophobicContact CG1-CG 4.35Å; V256-L260 WeakPolarHBondContact O-CB 3.16Å; V256-L260 VanDerWaalsContact O-CG 3.28Å; V256-L260 WeakPolarHBondContact O-CG 3.35Å; V256-L260 PolarHBondContact O-N 2.97Å; V256-I285 HydrophobicContact CG1-CG2 4.38Å; V256-I285 HydrophobicContact CG2-CG2 4.24Å; V256-V288 HydrophobicContact CG1-CG1 4.24Å; V256-L289 HydrophobicContact CG1-CD2 4.19Å
257L93.1Very high91Very high91 Ų9146 Ų4648%0.47628%0.282SS..Hα-helixtrans-61.2-41.1177.3-74.1169000112.5I253 R254 G261 V288I253-L257 HydrophobicContact CG1-CD1 4.36Å; I253-L257 WeakPolarHBondContact O-CG 3.29Å; I253-L257 PolarHBondContact O-N 3.44Å; R254-L257 PolarHBondContact O-N 3.34Å; L257-G261 PolarHBondContact O-N 3.03Å; L257-V288 HydrophobicContact CD2-CG1 3.48Å; L257-V288 VanDerWaalsContact CD2-CG1 3.48Å; L257-V288 HydrophobicContact CD2-CG2 4.18Å; L257-V288 HydrophobicContact CG-CG1 4.19Å
258L93.3Very high90.8Very high40 Ų4047.8 Ų47.821%0.20929%0.291CS..Hα-helixtrans-62-46177.2-73.1169000111.7N221 V224 E225 L228 R254 T255 V256 G261 A262N221-L258 HydrophobicContact CB-CD1 4.19Å; V224-L258 HydrophobicContact CG1-CB 4.22Å; V224-L258 HydrophobicContact CG1-CD1 4.28Å; E225-L258 HydrophobicContact CG-CD1 3.68Å; E225-L258 HydrophobicContact CG-CD2 3.69Å; E225-L258 HydrophobicContact CG-CG 4.33Å; L228-L258 HydrophobicContact CD1-CB 4.15Å; R254-L258 HydrophobicContact CG-CD1 4.29Å; R254-L258 VanDerWaalsContact O-CG 3.27Å; R254-L258 WeakPolarHBondContact O-CG 3.48Å; R254-L258 PolarHBondContact O-N 3.24Å; T255-L258 PolarHBondContact O-N 3.24Å; V256-L258 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 2.93Å; L258-G261 PolarHBondContact O-N 3.23Å; L258-A262 PolarHBondContact O-N 3.38Å
259L92.4Very high90.6Very high0 Ų049.9 Ų49.90%030%0.304CS..Hα-helixtrans-66.9-42.6179.3-69.7172.7000111.9L212 A216 V224 L228 L234 A243 L244 A247 T255 V256 G261 A262 N263 A264L212-L259 HydrophobicContact CD1-CD2 4.36Å; L212-L259 HydrophobicContact CD2-CD2 4.37Å; A216-L259 HydrophobicContact CB-CD1 4.19Å; V224-L259 HydrophobicContact CG1-CD2 4.33Å; L228-L259 HydrophobicContact CD2-CD2 4.23Å; L234-L259 HydrophobicContact CD2-CD2 4.1Å; A243-L259 HydrophobicContact CB-CD1 4.19Å; A243-L259 HydrophobicContact CB-CD2 4.16Å; A243-L259 VanDerWaalsContact O-CD1 3.28Å; A243-L259 WeakPolarHBondContact O-CD1 3.33Å; L244-L259 HydrophobicContact CB-CD1 4.49Å; L244-L259 HydrophobicContact CD1-CB 4.15Å; L244-L259 HydrophobicContact CD1-CD1 4.36Å; A247-L259 HydrophobicContact CB-CD1 3.57Å; T255-L259 WeakPolarHBondContact O-CG 3.38Å; T255-L259 PolarHBondContact O-N 3.14Å; V256-L259 PolarHBondContact O-N 2.88Å; L259-G261 VanDerWaalsContact C-N 3.31Å; L259-G261 PolarHBondContact O-N 3.38Å; L259-A262 CarbonylContact O-C 3.43Å; L259-A262 WeakPolarHBondContact O-CA 3.48Å; L259-A262 PolarHBondContact O-N 2.98Å; L259-A262 VanDerWaalsContact O-N 3.11Å; L259-N263 PolarHBondContact O-N 3.2Å; L259-A264 HydrophobicContact CB-CB 3.95Å; L259-A264 WeakPolarHBondContact O-CB 3.46Å; L259-A264 PolarHBondContact O-N 3.48Å
260L90.9Very high90.6Very high5 Ų545.1 Ų45.13%0.02628%0.281CS..Hα-helixtrans-65.1-35.8175.4-69.9173.7000112.6L244 V256 A262 N263 P266 V288 L289 K292L244-L260 HydrophobicContact CD1-CD2 4.34Å; L244-L260 HydrophobicContact CD1-CG 4.3Å; L244-L260 HydrophobicContact CD2-CD2 3.93Å; V256-L260 HydrophobicContact CG1-CD1 3.81Å; V256-L260 HydrophobicContact CG1-CG 4.35Å; V256-L260 WeakPolarHBondContact O-CB 3.16Å; V256-L260 VanDerWaalsContact O-CG 3.28Å; V256-L260 WeakPolarHBondContact O-CG 3.35Å; V256-L260 PolarHBondContact O-N 2.97Å; L260-A262 PolarHBondContact O-N 3.3Å; L260-N263 PolarHBondContact O-N 3.48Å; L260-P266 HydrophobicContact CD2-CB 4.07Å; L260-P266 HydrophobicContact CD2-CG 4.26Å; L260-V288 HydrophobicContact CD1-CG1 3.53Å; L260-L289 HydrophobicContact CD1-CD2 4.27Å; L260-L289 HydrophobicContact CD2-CD2 4.4Å; L260-K292 HydrophobicContact CB-CG 4.33Å; L260-K292 HydrophobicContact CD1-CB 4.32Å; L260-K292 HydrophobicContact CD2-CB 4.39Å
261G89.3Confident90.6Very high61 Ų6149.5 Ų49.563%0.62929%0.292SS*.Hα-helixtrans-66.1-26.4172.600000113L257 L258 L259 N263L257-G261 PolarHBondContact O-N 3.03Å; L258-G261 PolarHBondContact O-N 3.23Å; L259-G261 VanDerWaalsContact C-N 3.31Å; L259-G261 PolarHBondContact O-N 3.38Å; G261-N263 VanDerWaalsContact C-N 3.3Å
262A89.1Confident90.4Very high33 Ų3353.3 Ų53.327%0.27330%0.297SS..THydrogen-bonded Turntrans-90.917.3172.900000113.6L228 L234 L258 L259 L260 A264L228-A262 HydrophobicContact CD1-CB 3.97Å; L228-A262 HydrophobicContact CD2-CB 3.63Å; L228-A262 HydrophobicContact CG-CB 4.31Å; L234-A262 HydrophobicContact CD1-CB 4.02Å; L234-A262 WeakPolarHBondContact CD1-O 3.28Å; L258-A262 PolarHBondContact O-N 3.38Å; L259-A262 CarbonylContact O-C 3.43Å; L259-A262 WeakPolarHBondContact O-CA 3.48Å; L259-A262 PolarHBondContact O-N 2.98Å; L259-A262 VanDerWaalsContact O-N 3.11Å; L260-A262 PolarHBondContact O-N 3.3Å; A262-A264 PolarHBondContact O-N 3.44Å
263N88.1Confident90.3Very high130 Ų13057.6 Ų57.670%0.69532%0.32SS*.THydrogen-bonded Turntrans66.329.6178.8-61.154.2000114.9L259 L260 G261 D265L259-N263 PolarHBondContact O-N 3.2Å; L260-N263 PolarHBondContact O-N 3.48Å; G261-N263 VanDerWaalsContact C-N 3.3Å; N263-D265 PolarHBondContact O-N 3.49Å
264A89.1Confident90.3Very high7 Ų758.1 Ų58.16%0.05832%0.321CS..  trans-63.3134165.200000110.4L234 L244 L259 A262 P266L234-A264 HydrophobicContact CD1-CB 4.26Å; L244-A264 HydrophobicContact CB-CB 4.28Å; L244-A264 HydrophobicContact CD2-CB 4.3Å; L259-A264 HydrophobicContact CB-CB 3.95Å; L259-A264 WeakPolarHBondContact O-CB 3.46Å; L259-A264 PolarHBondContact O-N 3.48Å; A262-A264 PolarHBondContact O-N 3.44Å; A264-P266 VanDerWaalsContact O-CD 3.31Å; A264-P266 WeakPolarHBondContact O-CD 3.44Å
265D87.8Confident90.1Very high78 Ų7854.8 Ų54.842%0.41731%0.313SS..  trans-79.4115.2-177.6-176.51.8000111.3N263 A267 L268N263-D265 PolarHBondContact O-N 3.49Å; D265-A267 VanDerWaalsContact C-N 3.29Å; D265-A267 WeakPolarHBondContact OD1-CA 3.43Å; D265-A267 WeakPolarHBondContact OD1-CB 3.47Å; D265-A267 PolarHBondContact OD1-N 3.24Å; D265-L268 HydrophobicContact CB-CB 4.02Å
266P88.1Confident89.9Confident20 Ų2054.8 Ų54.813%0.1331%0.313CS..THydrogen-bonded Turntrans-76.5-12.5175.733.3-35.5000114L244 L260 A264 P276 L289 A293L244-P266 HydrophobicContact CD2-CB 4.1Å; L260-P266 HydrophobicContact CD2-CB 4.07Å; L260-P266 HydrophobicContact CD2-CG 4.26Å; A264-P266 VanDerWaalsContact O-CD 3.31Å; A264-P266 WeakPolarHBondContact O-CD 3.44Å; P266-P276 WeakPolarHBondContact O-CD 3.39Å; P266-L289 HydrophobicContact CB-CD2 4.05Å; P266-A293 HydrophobicContact CG-CB 4.33Å
267A87.6Confident89.7Confident61 Ų6156.1 Ų56.150%0.50432%0.324SS..THydrogen-bonded Turntrans-97.2-0.2179.400000112.9D265 P269 L275D265-A267 VanDerWaalsContact C-N 3.29Å; D265-A267 WeakPolarHBondContact OD1-CA 3.43Å; D265-A267 WeakPolarHBondContact OD1-CB 3.47Å; D265-A267 PolarHBondContact OD1-N 3.24Å; A267-P269 VanDerWaalsContact O-CD 3.26Å; A267-P269 WeakPolarHBondContact O-CD 3.13Å; A267-L275 VanDerWaalsContact O-CD2 3.28Å; A267-L275 WeakPolarHBondContact O-CD2 3.5Å
268L88.2Confident89.5Confident37 Ų3756.9 Ų56.919%0.19433%0.329CS..  trans-74.4115.8177.3-176.866.7000110.1L236 H245 D265 P276L236-L268 HydrophobicContact CD1-CD1 4.34Å; L236-L268 HydrophobicContact CD2-CD1 4.44Å; L236-L268 HydrophobicContact CD2-CD2 3.83Å; L236-L268 HydrophobicContact CD2-CG 3.92Å; L236-L268 HydrophobicContact CG-CD1 4.09Å; L236-L268 HydrophobicContact CG-CD2 3.92Å; L236-L268 HydrophobicContact CG-CG 4.07Å; H245-L268 PolarHBondContact CE1-O 2.81Å; H245-L268 PolarHBondContact NE2-O 3.24Å; D265-L268 HydrophobicContact CB-CB 4.02Å; L268-P276 WeakPolarHBondContact O-CD 3.5Å
269P90.1Very high89.2Confident46 Ų4657.2 Ų57.230%0.29933%0.33SS..  trans-78.1151.3176.931.6-34.4000111.9L236 A267 E274 L275L236-P269 WeakPolarHBondContact CD2-O 3.42Å; A267-P269 VanDerWaalsContact O-CD 3.26Å; A267-P269 WeakPolarHBondContact O-CD 3.13Å; P269-E274 WeakPolarHBondContact CA-O 3.28Å; P269-L275 HydrophobicContact CB-CD2 4.27Å
270N91.2Very high89.1Confident14 Ų1458.1 Ų58.18%0.07534%0.336CS..  trans-76.9-179.3169.872.15.9000112.2G240 H245 H272 N273 E274G240-N270 CarbonylContact O-C 3.41Å; G240-N270 WeakPolarHBondContact O-CA 3.26Å; G240-N270 WeakPolarHBondContact O-CB 3.47Å; H245-N270 PolarHBondContact NE2-N 3.47Å; N270-H272 PolarHBondContact O-N 3.18Å; N270-H272 VanDerWaalsContact O-N 3.14Å; N270-H272 VanDerWaalsContact OD1-C 3.3Å; N270-H272 VanDerWaalsContact OD1-CA 3.32Å; N270-H272 WeakPolarHBondContact OD1-CA 3.28Å; N270-H272 WeakPolarHBondContact OD1-CB 3.46Å; N270-H272 PolarHBondContact OD1-N 3.41Å; N270-N273 PolarHBondContact O-N 3.34Å; N270-N273 PolarHBondContact OD1-N 2.9Å; N270-N273 VanDerWaalsContact OD1-N 3.08Å; N270-E274 PolarHBondContact N-O 2.99Å; N270-E274 PolarHBondContact ND2-OE2 3.4Å; N270-E274 WeakPolarHBondContact OD1-CB 3.49Å; N270-E274 PolarHBondContact OD1-N 3.49Å; N270-E274 PolarHBondContact OD1-O 2.92Å
271E90Very high88.9Confident128 Ų12867.9 Ų67.960%0.59838%0.378SS*.THydrogen-bonded Turntrans-60.6-18.4175.960.7175.1-165.700114.9G240G240-E271 PolarHBondContact O-N 3.06Å
272H88.9Confident88.9Confident128 Ų12867.2 Ų67.259%0.59336%0.364SS*.THydrogen-bonded Turntrans-958.1174.6-56.7-41.8000112.9N270 E274N270-H272 PolarHBondContact O-N 3.18Å; N270-H272 VanDerWaalsContact O-N 3.14Å; N270-H272 VanDerWaalsContact OD1-C 3.3Å; N270-H272 VanDerWaalsContact OD1-CA 3.32Å; N270-H272 WeakPolarHBondContact OD1-CA 3.28Å; N270-H272 WeakPolarHBondContact OD1-CB 3.46Å; N270-H272 PolarHBondContact OD1-N 3.41Å; H272-E274 HydrophobicContact CB-CG 4.1Å; H272-E274 PolarHBondContact O-N 2.91Å
273N88.2Confident88.8Confident131 Ų13171 Ų7170%0.70138%0.38SS*.SBendtrans62.225.8-177.6-157.963.3000113.8N270N270-N273 PolarHBondContact O-N 3.34Å; N270-N273 PolarHBondContact OD1-N 2.9Å; N270-N273 VanDerWaalsContact OD1-N 3.08Å
274E90.3Very high88.8Confident77 Ų7773.9 Ų73.936%0.3638%0.381SS..  trans-95135.4175-55.1170.9124.100109.5H245 P269 N270 H272 D278 L279H245-E274 PolarHBondContact NE2-O 3.37Å; P269-E274 WeakPolarHBondContact CA-O 3.28Å; N270-E274 PolarHBondContact N-O 2.99Å; N270-E274 PolarHBondContact ND2-OE2 3.4Å; N270-E274 WeakPolarHBondContact OD1-CB 3.49Å; N270-E274 PolarHBondContact OD1-N 3.49Å; N270-E274 PolarHBondContact OD1-O 2.92Å; H272-E274 HydrophobicContact CB-CG 4.1Å; H272-E274 PolarHBondContact O-N 2.91Å; E274-D278 HydrophobicContact CB-CB 4.45Å; E274-L279 HydrophobicContact CB-CD2 4.21Å
275L90.4Very high88.8Confident63 Ų6373.6 Ų73.633%0.3338%0.378SS..  trans-80.3158.4172.7-64173.2000110.3A267 P269 A277 D278 L279A267-L275 VanDerWaalsContact O-CD2 3.28Å; A267-L275 WeakPolarHBondContact O-CD2 3.5Å; P269-L275 HydrophobicContact CB-CD2 4.27Å; L275-A277 PolarHBondContact O-N 2.86Å; L275-D278 WeakPolarHBondContact CB-OD2 3.44Å; L275-D278 PolarHBondContact N-OD2 3.4Å; L275-D278 WeakPolarHBondContact O-CB 3.32Å; L275-D278 PolarHBondContact O-N 3.35Å; L275-L279 PolarHBondContact O-N 3.08Å
276P88.8Confident88.8Confident0 Ų071.3 Ų71.30%037%0.366CS..THydrogen-bonded Turntrans-52.1-33.5170.7-25.733.1000112.6L244 H245 V248 P266 L268 D278 L279 L289L244-P276 HydrophobicContact CD2-CB 4.36Å; L244-P276 HydrophobicContact CD2-CG 4.1Å; L244-P276 HydrophobicContact CG-CB 4.19Å; L244-P276 HydrophobicContact CG-CG 4.22Å; H245-P276 WeakPolarHBondContact NE2-CD 3.34Å; V248-P276 WeakPolarHBondContact CG1-O 3.5Å; V248-P276 HydrophobicContact CG2-CB 4.11Å; P266-P276 WeakPolarHBondContact O-CD 3.39Å; L268-P276 WeakPolarHBondContact O-CD 3.5Å; P276-D278 VanDerWaalsContact C-N 3.34Å; P276-D278 PolarHBondContact O-N 2.97Å; P276-L279 PolarHBondContact O-N 3.36Å; P276-L289 HydrophobicContact CB-CD1 4.44Å
277A88.7Confident88.8Confident28 Ų2878.5 Ų78.523%0.23139%0.39CS..THydrogen-bonded Turntrans-65.9-32.9176.700000113.4L275 L279 L286 L289L275-A277 PolarHBondContact O-N 2.86Å; A277-L279 VanDerWaalsContact C-N 3.27Å; A277-L279 PolarHBondContact O-N 2.91Å; A277-L286 HydrophobicContact CB-CD2 3.99Å; A277-L286 VanDerWaalsContact O-CD2 3.24Å; A277-L286 WeakPolarHBondContact O-CD2 3.39Å; A277-L289 HydrophobicContact CB-CD1 4.06Å
278D88.9Confident88.8Confident108 Ų10876.7 Ų76.758%0.57837%0.373SS*.THydrogen-bonded Turntrans-73.7-24-178.1-57.7-36.1000111.7E274 L275 P276 T280E274-D278 HydrophobicContact CB-CB 4.45Å; L275-D278 WeakPolarHBondContact CB-OD2 3.44Å; L275-D278 PolarHBondContact N-OD2 3.4Å; L275-D278 WeakPolarHBondContact O-CB 3.32Å; L275-D278 PolarHBondContact O-N 3.35Å; P276-D278 VanDerWaalsContact C-N 3.34Å; P276-D278 PolarHBondContact O-N 2.97Å; D278-T280 VanDerWaalsContact C-N 3.26Å; D278-T280 PolarHBondContact O-N 3.43Å
279L88.3Confident88.8Confident46 Ų4675.2 Ų75.224%0.24137%0.365CS..THydrogen-bonded Turntrans-78.6-1.3-178.6-61.4-178.6000114.3H245 V248 M249 E274 L275 P276 A277H245-L279 HydrophobicContact CB-CD1 3.9Å; V248-L279 HydrophobicContact CG1-CB 4.47Å; M249-L279 HydrophobicContact CG-CB 4.2Å; M249-L279 HydrophobicContact CG-CD1 3.87Å; M249-L279 HydrophobicContact SD-CD1 4.1Å; E274-L279 HydrophobicContact CB-CD2 4.21Å; L275-L279 PolarHBondContact O-N 3.08Å; P276-L279 PolarHBondContact O-N 3.36Å; A277-L279 VanDerWaalsContact C-N 3.27Å; A277-L279 PolarHBondContact O-N 2.91Å
280T88.8Confident88.4Confident20 Ų2081.1 Ų81.112%0.12338%0.382CS..  trans-134.2142.5-178-167.70000114V248 D278 S282 I285 L286V248-T280 HydrophobicContact CG1-CG2 3.45Å; V248-T280 VanDerWaalsContact CG1-CG2 3.45Å; D278-T280 VanDerWaalsContact C-N 3.26Å; D278-T280 PolarHBondContact O-N 3.43Å; T280-S282 WeakPolarHBondContact OG1-CB 3.36Å; T280-S282 PolarHBondContact OG1-N 3.45Å; T280-S282 VanDerWaalsContact OG1-N 3.12Å; T280-I285 HydrophobicContact CG2-CB 4.2Å; T280-I285 HydrophobicContact CG2-CG2 3.96Å; T280-L286 HydrophobicContact CG2-CD2 3.87Å; T280-L286 HydrophobicContact CG2-CG 4.06Å
281K86.6Confident87.9Confident209 Ų20986.9 Ų86.991%0.90941%0.408SS*.  trans-97.83.6169.4-60-177-178.5-1800112.5D283K281-D283 PolarHBondContact O-N 3.26Å
282S89.6Confident87.1Confident48 Ų4884.7 Ų84.734%0.33640%0.396SS..  trans-81.7109.5-177.3177.90000111T280 R284 I285 L286T280-S282 WeakPolarHBondContact OG1-CB 3.36Å; T280-S282 PolarHBondContact OG1-N 3.45Å; T280-S282 VanDerWaalsContact OG1-N 3.12Å; S282-R284 PolarHBondContact O-N 3.4Å; S282-R284 VanDerWaalsContact O-N 3.1Å; S282-I285 PolarHBondContact O-N 3.09Å; S282-L286 WeakPolarHBondContact O-CG 3.41Å; S282-L286 PolarHBondContact O-N 3.41Å
283D86.5Confident85.9Confident113 Ų11380.8 Ų80.860%0.60439%0.386SS*.Hα-helixtrans-53.9-33.4177.3-70.4-37.5000113.1K281 R287K281-D283 PolarHBondContact O-N 3.26Å; D283-R287 VanDerWaalsContact O-CG 3.25Å; D283-R287 WeakPolarHBondContact O-CG 3.4Å; D283-R287 PolarHBondContact O-N 3.29Å
284R88.4Confident84.7Confident190 Ų19079.5 Ų79.572%0.71738%0.383SS*.Hα-helixtrans-67.9-44179.5-65-174.9176.4-173.6-1.3111.6I253 S282 V288I253-R284 HydrophobicContact CD1-CB 3.88Å; S282-R284 PolarHBondContact O-N 3.4Å; S282-R284 VanDerWaalsContact O-N 3.1Å; R284-V288 WeakPolarHBondContact O-CG2 3.33Å; R284-V288 PolarHBondContact O-N 3.03Å
285I88.6Confident83.1Confident1 Ų181.2 Ų81.21%0.00539%0.394CS..Hα-helixtrans-69.9-41.4179.1-62.9176.1000109.7V248 I253 V256 T280 S282 R287 V288 L289V248-I285 HydrophobicContact CG1-CG2 4.04Å; V248-I285 HydrophobicContact CG2-CG2 4.03Å; I253-I285 HydrophobicContact CB-CG1 4.36Å; I253-I285 HydrophobicContact CG1-CG1 4.47Å; V256-I285 HydrophobicContact CG1-CG2 4.38Å; V256-I285 HydrophobicContact CG2-CG2 4.24Å; T280-I285 HydrophobicContact CG2-CB 4.2Å; T280-I285 HydrophobicContact CG2-CG2 3.96Å; S282-I285 PolarHBondContact O-N 3.09Å; I285-R287 VanDerWaalsContact C-N 3.34Å; I285-R287 PolarHBondContact O-N 3.35Å; I285-V288 PolarHBondContact O-N 3.44Å; I285-V288 VanDerWaalsContact O-N 3.15Å; I285-L289 HydrophobicContact CG2-CD1 3.92Å; I285-L289 HydrophobicContact CG2-CG 4.27Å; I285-L289 WeakPolarHBondContact O-CG 3.41Å; I285-L289 PolarHBondContact O-N 3.48Å
286L88.6Confident81.3Confident29 Ų2980.8 Ų80.815%0.15241%0.406CS..Hα-helixtrans-58-43.2175.5-70.6175.2000112.5A277 T280 S282 V288 L289 R290A277-L286 HydrophobicContact CB-CD2 3.99Å; A277-L286 VanDerWaalsContact O-CD2 3.24Å; A277-L286 WeakPolarHBondContact O-CD2 3.39Å; T280-L286 HydrophobicContact CG2-CD2 3.87Å; T280-L286 HydrophobicContact CG2-CG 4.06Å; S282-L286 WeakPolarHBondContact O-CG 3.41Å; S282-L286 PolarHBondContact O-N 3.41Å; L286-V288 VanDerWaalsContact C-N 3.33Å; L286-V288 PolarHBondContact O-N 3.01Å; L286-L289 PolarHBondContact O-N 2.95Å; L286-R290 WeakPolarHBondContact O-CB 3.43Å; L286-R290 VanDerWaalsContact O-CG 3.27Å; L286-R290 WeakPolarHBondContact O-CG 3.27Å; L286-R290 PolarHBondContact O-N 3.44Å
287R87.3Confident79.1Confident172 Ų17288.2 Ų88.265%0.64945%0.445SS*.Hα-helixtrans-60-43.9175.9-76.1175.3-165.2-176.14.5111.9D283 I285 Q291D283-R287 VanDerWaalsContact O-CG 3.25Å; D283-R287 WeakPolarHBondContact O-CG 3.4Å; D283-R287 PolarHBondContact O-N 3.29Å; I285-R287 VanDerWaalsContact C-N 3.34Å; I285-R287 PolarHBondContact O-N 3.35Å; R287-Q291 WeakPolarHBondContact O-CB 3.24Å; R287-Q291 WeakPolarHBondContact O-CG 3.44Å; R287-Q291 PolarHBondContact O-N 3.46Å
288V88.9Confident76.6Confident23 Ų2394.5 Ų94.514%0.13949%0.487CS..Hα-helixtrans-64.8-46179.7170.60000111.2I253 V256 L257 L260 R284 I285 L286 R290 Q291 K292I253-V288 HydrophobicContact CD1-CG2 4.18Å; I253-V288 HydrophobicContact CG1-CG2 4.41Å; V256-V288 HydrophobicContact CG1-CG1 4.24Å; L257-V288 HydrophobicContact CD2-CG1 3.48Å; L257-V288 VanDerWaalsContact CD2-CG1 3.48Å; L257-V288 HydrophobicContact CD2-CG2 4.18Å; L257-V288 HydrophobicContact CG-CG1 4.19Å; L260-V288 HydrophobicContact CD1-CG1 3.53Å; R284-V288 WeakPolarHBondContact O-CG2 3.33Å; R284-V288 PolarHBondContact O-N 3.03Å; I285-V288 PolarHBondContact O-N 3.44Å; I285-V288 VanDerWaalsContact O-N 3.15Å; L286-V288 VanDerWaalsContact C-N 3.33Å; L286-V288 PolarHBondContact O-N 3.01Å; V288-R290 PolarHBondContact O-N 3.15Å; V288-Q291 PolarHBondContact O-N 3.3Å; V288-K292 PolarHBondContact O-N 3.39Å
289L86.8Confident76Confident6 Ų693.8 Ų93.83%0.03148%0.483CS..Hα-helixtrans-61.5-44.5178.3-69.3170.6000111.7L244 V248 V256 L260 P266 P276 A277 I285 L286 K292 A293L244-L289 HydrophobicContact CD1-CD2 4.4Å; L244-L289 HydrophobicContact CD2-CD2 4.26Å; V248-L289 HydrophobicContact CG2-CD1 4.09Å; V248-L289 HydrophobicContact CG2-CD2 4.46Å; V256-L289 HydrophobicContact CG1-CD2 4.19Å; L260-L289 HydrophobicContact CD1-CD2 4.27Å; L260-L289 HydrophobicContact CD2-CD2 4.4Å; P266-L289 HydrophobicContact CB-CD2 4.05Å; P276-L289 HydrophobicContact CB-CD1 4.44Å; A277-L289 HydrophobicContact CB-CD1 4.06Å; I285-L289 HydrophobicContact CG2-CD1 3.92Å; I285-L289 HydrophobicContact CG2-CG 4.27Å; I285-L289 WeakPolarHBondContact O-CG 3.41Å; I285-L289 PolarHBondContact O-N 3.48Å; L286-L289 PolarHBondContact O-N 2.95Å; L289-K292 PolarHBondContact O-N 3.06Å; L289-A293 PolarHBondContact O-N 3.12Å; L289-A293 VanDerWaalsContact O-N 3.09Å
290R83.4Confident75.3Confident170 Ų17096.3 Ų96.364%0.64250%0.496SS*.Hα-helixtrans-64.8-43.1178.9-71.8174.9-176.3179.62.5112.7L286 V288 K292 A293 V294L286-R290 WeakPolarHBondContact O-CB 3.43Å; L286-R290 VanDerWaalsContact O-CG 3.27Å; L286-R290 WeakPolarHBondContact O-CG 3.27Å; L286-R290 PolarHBondContact O-N 3.44Å; V288-R290 PolarHBondContact O-N 3.15Å; R290-K292 VanDerWaalsContact C-N 3.27Å; R290-K292 PolarHBondContact O-N 2.99Å; R290-A293 PolarHBondContact O-N 3.49Å; R290-V294 WeakPolarHBondContact O-CG2 3.25Å; R290-V294 PolarHBondContact O-N 3.44Å
291Q79.8Confident74.6Confident134 Ų134100.6 Ų100.663%0.62652%0.516SS*.Hα-helixtrans-60.4-37.8179-79.3177.7-11.800112.3R287 V288 N295R287-Q291 WeakPolarHBondContact O-CB 3.24Å; R287-Q291 WeakPolarHBondContact O-CG 3.44Å; R287-Q291 PolarHBondContact O-N 3.46Å; V288-Q291 PolarHBondContact O-N 3.3Å; Q291-N295 PolarHBondContact O-ND2 3.02Å
292K72.4Confident73.9Confident83 Ų8394.2 Ų94.236%0.36149%0.493SS..Hα-helixtrans-81.3-30.2-178.3-126.2-70.1-171.8177.20113.1L260 V288 L289 R290 N295 G296L260-K292 HydrophobicContact CB-CG 4.33Å; L260-K292 HydrophobicContact CD1-CB 4.32Å; L260-K292 HydrophobicContact CD2-CB 4.39Å; V288-K292 PolarHBondContact O-N 3.39Å; L289-K292 PolarHBondContact O-N 3.06Å; R290-K292 VanDerWaalsContact C-N 3.27Å; R290-K292 PolarHBondContact O-N 2.99Å; K292-N295 PolarHBondContact O-N 3.31Å; K292-G296 PolarHBondContact O-N 3.1Å
293A65.7Low72.9Confident46 Ų4697.1 Ų97.138%0.3850%0.503SS..Hα-helixtrans-62.3-42.2172.500000111.7P266 L289 R290 N295 G296P266-A293 HydrophobicContact CG-CB 4.33Å; L289-A293 PolarHBondContact O-N 3.12Å; L289-A293 VanDerWaalsContact O-N 3.09Å; R290-A293 PolarHBondContact O-N 3.49Å; A293-N295 VanDerWaalsContact C-N 3.34Å; A293-N295 PolarHBondContact O-N 3.43Å; A293-G296 PolarHBondContact O-N 3.37Å
294V61.5Low72Confident103 Ų10396 Ų9662%0.62450%0.496SS*.Hα-helixtrans-67.4-32.9179.61770000112.7R290R290-V294 WeakPolarHBondContact O-CG2 3.25Å; R290-V294 PolarHBondContact O-N 3.44Å
295N58.1Low70.8Confident113 Ų11389.3 Ų89.360%0.60448%0.481SS*.THydrogen-bonded Turntrans-86-3.3-178.4-66.8-14.5000114Q291 K292 A293Q291-N295 PolarHBondContact O-ND2 3.02Å; K292-N295 PolarHBondContact O-N 3.31Å; A293-N295 VanDerWaalsContact C-N 3.34Å; A293-N295 PolarHBondContact O-N 3.43Å
296G51.6Low69.5Low55 Ų5596.1 Ų96.157%0.56752%0.517SS*.THydrogen-bonded Turntrans-88.5-16.117800000114.4K292 A293K292-G296 PolarHBondContact O-N 3.1Å; A293-G296 PolarHBondContact O-N 3.37Å
297D43Very low67.9Low156 Ų156101.7 Ų101.783%0.83455%0.548SS*.  trans-95.414.7-179.9-72.5-25.6000113.1
298S36.1Very low66.1Low159 Ų15995.3 Ų95.3100%1.11254%0.538SS*.  trans-117.10-179-44.40000111.5

Retrieved 298 of 298 residues in 93.7 ms (Link to these results)

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