A0A087Y902_POEFO Loading...

Kinesin-like protein KIF19

Plus end-directed microtubule-dependent motor protein that regulates the length of motile cilia by mediating depolymerization of microtubules at ciliary tips.

AlphaFold DB , UniProt , Accession A0A087Y902, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,016 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
1M29Very low50.5Low242 Ų242121.8 Ų121.8100%1.19264%0.643SS**  0153.10-68136.278.400108.4D3M1-D3 PolarHBondContact O-N 2.99Å
2K27.8Very low53.9Low203 Ų203111.8 Ų111.888%0.88359%0.59SS**  trans-79108.6171.1-81.8-173.5175.3-178.90108.6T4K2-T4 PolarHBondContact O-N 3.14Å; K2-T4 VanDerWaalsContact O-N 3.15Å
3D29.1Very low57Low134 Ų134106.7 Ų106.772%0.71757%0.567SS**  trans-74.497.3169.1-169.630.6000108M1 G5M1-D3 PolarHBondContact O-N 2.99Å; D3-G5 PolarHBondContact O-N 2.78Å
4T29.8Very low59.8Low96 Ų9699.1 Ų99.159%0.58953%0.526SS*.  trans-67.1121.5176.339.10000108.7K2 E6K2-T4 PolarHBondContact O-N 3.14Å; K2-T4 VanDerWaalsContact O-N 3.15Å; T4-E6 PolarHBondContact O-N 3.18Å
5G41.9Very low62.4Low84 Ų8492.5 Ų92.587%0.86649%0.491SS*.  trans-7053.8-173.600000115.3D3 S7D3-G5 PolarHBondContact O-N 2.78Å; G5-S7 PolarHBondContact O-N 2.82Å
6E42.2Very low64.6Low144 Ų14486.7 Ų86.767%0.67346%0.46SS*.  trans-66.5121.1175.9-63.1-170.3146.200110.4T4 K8T4-E6 PolarHBondContact O-N 3.18Å; E6-K8 PolarHBondContact O-N 3.45Å; E6-K8 VanDerWaalsContact O-N 3.13Å
7S55Low66.6Low49 Ų4982.5 Ų82.534%0.34344%0.437SS..  trans-73.3104.817257.60000109.7G5 D9G5-S7 PolarHBondContact O-N 2.82Å; S7-D9 PolarHBondContact O-N 3.39Å
8K60.7Low68.3Low154 Ų15478.3 Ų78.367%0.6741%0.414SS*.EExtended strand (participates in β ladder)trans-74.6122.5174.9-64.6179.7-179.1176.70108.7E6 Q10E6-K8 PolarHBondContact O-N 3.45Å; E6-K8 VanDerWaalsContact O-N 3.13Å; K8-Q10 PolarHBondContact O-N 2.75Å; K8-Q10 VanDerWaalsContact O-N 3.16Å
9D72.9Confident69.7Low78 Ų7876.5 Ų76.542%0.41740%0.401SS..EExtended strand (participates in β ladder)trans-62.7111.9166.5-81.8-2.4000107.1S7 R349S7-D9 PolarHBondContact O-N 3.39Å; D9-R349 VanDerWaalsContact OD1-CG 3.25Å; D9-R349 WeakPolarHBondContact OD1-CG 3.14Å; D9-R349 IonicContact OD1-CZ 2.61Å; D9-R349 IonicContact OD1-NE 3.36Å; D9-R349 PolarHBondContact OD1-NE 3.46Å; D9-R349 IonicContact OD1-NH2 2.67Å; D9-R349 PolarHBondContact OD1-NH2 3.24Å; D9-R349 IonicContact OD2-NH2 2.75Å
10Q81.3Confident71Confident63 Ų6376.7 Ų76.729%0.29441%0.407SS..EExtended strand (participates in β ladder)trans-107.7133.1180-172.5161.7-8.800109.5K8 R316 R347 T348 V350K8-Q10 PolarHBondContact O-N 2.75Å; K8-Q10 VanDerWaalsContact O-N 3.16Å; Q10-R316 VanDerWaalsContact OE1-NE 3.13Å; Q10-R347 CarbonylContact O-C 3.56Å; Q10-R347 WeakPolarHBondContact O-CA 3.32Å; Q10-T348 PolarHBondContact N-O 3.48Å; Q10-T348 PolarHBondContact O-N 2.86Å; Q10-V350 HydrophobicContact CB-CG2 3.79Å
11Q85.8Confident72Confident93 Ų9374.7 Ų74.744%0.43540%0.396SS..EExtended strand (participates in β ladder)trans-76.8141.2177.1-168.4165.1-25.100110.1T13 K344 I346Q11-T13 PolarHBondContact O-N 2.82Å; Q11-K344 VanDerWaalsContact CG-O 3.24Å; Q11-K344 WeakPolarHBondContact CG-O 3.47Å; Q11-K344 PolarHBondContact NE2-O 3.04Å; Q11-I346 WeakPolarHBondContact CA-O 3.31Å
12L90.9Very high75Confident1 Ų165.1 Ų65.11%0.00535%0.353CS..PPolyproline II helixtrans-68.9120.7178-174.1151.9000109.2V14 L311 T317 M319 A343 I346L12-V14 HydrophobicContact CD2-CG2 3.62Å; L12-L311 HydrophobicContact CD1-CD2 4.43Å; L12-T317 HydrophobicContact CD1-CG2 3.69Å; L12-T317 HydrophobicContact CG-CG2 4.02Å; L12-M319 HydrophobicContact CD2-CB 4.01Å; L12-A343 HydrophobicContact CD2-CB 4.26Å; L12-I346 HydrophobicContact CB-CB 4.08Å; L12-I346 HydrophobicContact CB-CG2 4.36Å; L12-I346 HydrophobicContact CD1-CB 4.32Å; L12-I346 HydrophobicContact CD1-CG2 4.2Å; L12-I346 PolarHBondContact N-O 2.95Å
13T94.9Very high78.1Confident46 Ų4661.2 Ų61.228%0.28234%0.342SS..EExtended strand (participates in β ladder)trans-78129.9-178-56.80000110.3Q11 D68 T317 V318 M319Q11-T13 PolarHBondContact O-N 2.82Å; T13-D68 WeakPolarHBondContact CA-OD2 3.33Å; T13-D68 HydrophobicContact CG2-CB 4.02Å; T13-T317 PolarHBondContact N-O 3.25Å; T13-V318 HydrophobicContact CG2-CG1 4.4Å; T13-V318 CarbonylContact O-C 3.58Å; T13-V318 WeakPolarHBondContact O-CA 3.05Å; T13-M319 PolarHBondContact O-N 2.78Å
14V96.6Very high80.9Confident0 Ų057.5 Ų57.50%033%0.33CS..EExtended strand (participates in β ladder)trans-120.4117179.4-1760000110L12 F67 D68 M319 A340 A343 K344L12-V14 HydrophobicContact CD2-CG2 3.62Å; V14-F67 HydrophobicContact CB-CD1 4.38Å; V14-F67 HydrophobicContact CG1-CD1 3.65Å; V14-F67 HydrophobicContact CG1-CE1 4.18Å; V14-D68 PolarHBondContact N-OD2 3.33Å; V14-D68 PolarHBondContact O-N 2.98Å; V14-M319 WeakPolarHBondContact CA-O 3.47Å; V14-M319 HydrophobicContact CG2-CB 4.35Å; V14-A340 HydrophobicContact CG1-CB 3.81Å; V14-A343 HydrophobicContact CG2-CB 4.15Å; V14-K344 HydrophobicContact CB-CB 4.24Å; V14-K344 HydrophobicContact CG2-CB 3.73Å; V14-K344 HydrophobicContact CG2-CG 4.49Å
15A97.6Very high83.9Confident0 Ų053.9 Ų53.90%031%0.306CS..EExtended strand (participates in β ladder)trans-100.3148.7168.600000110.7V69 F71 T84 M319 I320 A321A15-V69 VanDerWaalsContact CA-O 3.3Å; A15-V69 WeakPolarHBondContact CA-O 3.31Å; A15-V69 HydrophobicContact CB-CG1 3.56Å; A15-F71 HydrophobicContact CB-CE2 4.03Å; A15-T84 HydrophobicContact CB-CG2 3.79Å; A15-M319 PolarHBondContact N-O 3.34Å; A15-I320 HydrophobicContact CB-CG1 4.42Å; A15-I320 HydrophobicContact CB-CG2 4.38Å; A15-A321 PolarHBondContact O-N 2.95Å
16L98.1Very high86.3Confident0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-116.2136.9166.7-171.584.4000110.3I18 V42 F67 V69 A70 F71 A321 I323 L337L16-I18 HydrophobicContact CD2-CG1 4.06Å; L16-V42 HydrophobicContact CD2-CB 4.06Å; L16-V42 HydrophobicContact CD2-CG1 3.89Å; L16-V42 HydrophobicContact CD2-CG2 3.73Å; L16-F67 HydrophobicContact CB-CD2 3.64Å; L16-F67 HydrophobicContact CB-CE2 4.03Å; L16-F67 HydrophobicContact CB-CG 4.01Å; L16-F67 HydrophobicContact CD1-CE2 4.28Å; L16-F67 HydrophobicContact CD1-CZ 4.47Å; L16-F67 HydrophobicContact CD2-CD2 4.16Å; L16-F67 HydrophobicContact CD2-CE2 3.93Å; L16-F67 HydrophobicContact CG-CD2 4.36Å; L16-F67 HydrophobicContact CG-CE2 4.29Å; L16-V69 PolarHBondContact N-O 3.48Å; L16-A70 CarbonylContact O-C 3.58Å; L16-A70 WeakPolarHBondContact O-CA 3.47Å; L16-F71 WeakPolarHBondContact O-CD2 3.27Å; L16-F71 PolarHBondContact O-N 2.82Å; L16-A321 CarbonylContact C-O 3.51Å; L16-A321 WeakPolarHBondContact CA-O 3.41Å; L16-A321 HydrophobicContact CD1-CB 3.71Å; L16-I323 HydrophobicContact CD1-CD1 4.48Å; L16-I323 HydrophobicContact CD1-CG1 4.38Å; L16-I323 HydrophobicContact CD1-CG2 4.28Å; L16-I323 HydrophobicContact CD2-CD1 3.98Å; L16-I323 HydrophobicContact CD2-CG1 4.37Å; L16-L337 HydrophobicContact CD1-CD2 3.69Å; L16-L337 HydrophobicContact CD2-CD2 3.64Å; L16-L337 HydrophobicContact CG-CD2 4.3Å
17R97.9Very high88.7Confident16 Ų1656.6 Ų56.66%0.0630%0.297CS..EExtended strand (participates in β ladder)trans-120.2121.2167.6-165.6175.9-162.3-179.18.5110.8F71 A75 Q77 T113 A321 H322 I323R17-F71 HydrophobicContact CB-CB 4.38Å; R17-F71 HydrophobicContact CB-CD2 4.47Å; R17-F71 HydrophobicContact CG-CB 4.08Å; R17-A75 PolarHBondContact NH2-O 2.88Å; R17-Q77 VanDerWaalsContact NH2-OE1 3.09Å; R17-T113 WeakPolarHBondContact CD-OG1 3.47Å; R17-T113 PolarHBondContact NH1-OG1 2.84Å; R17-A321 PolarHBondContact N-O 3.45Å; R17-H322 WeakPolarHBondContact O-CA 3.3Å; R17-I323 PolarHBondContact O-N 3.21Å; R17-I323 VanDerWaalsContact O-N 3.12Å
18I97.5Very high90.3Very high6 Ų660.7 Ų60.73%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-93.1121.4167.2-42.8-179.9000106.5L16 A34 V42 F71 D72 I323 P325L16-I18 HydrophobicContact CD2-CG1 4.06Å; I18-A34 HydrophobicContact CD1-CB 4.22Å; I18-A34 HydrophobicContact CG2-CB 4.35Å; I18-V42 HydrophobicContact CD1-CG1 3.91Å; I18-V42 HydrophobicContact CD1-CG2 4.38Å; I18-F71 PolarHBondContact N-O 3.03Å; I18-D72 CarbonylContact O-C 3.54Å; I18-D72 WeakPolarHBondContact O-CA 3.29Å; I18-I323 HydrophobicContact CB-CG1 4.37Å; I18-I323 HydrophobicContact CD1-CD1 4.49Å; I18-I323 HydrophobicContact CG1-CD1 4.06Å; I18-I323 HydrophobicContact CG1-CG1 4Å; I18-I323 HydrophobicContact CG2-CG1 4.32Å; I18-P325 HydrophobicContact CG2-CB 3.92Å; I18-P325 HydrophobicContact CG2-CG 4.38Å
19R95.5Very high91.7Very high45 Ų4556 Ų5617%0.1731%0.306CS..PPolyproline II helixtrans-79.3163.2174.366148.2172.471.5-0.7111.1E25 G107 I323 S324 P325R19-E25 IonicContact CZ-OE1 3.47Å; R19-E25 IonicContact CZ-OE2 3.57Å; R19-E25 IonicContact NH1-OE1 2.71Å; R19-E25 IonicContact NH1-OE2 2.84Å; R19-E25 PolarHBondContact NH1-OE2 3.26Å; R19-E25 IonicContact NH2-OE1 2.75Å; R19-E25 PolarHBondContact NH2-OE1 3.29Å; R19-E25 IonicContact NH2-OE2 3.62Å; R19-E25 PolarHBondContact NH2-OE2 2.93Å; R19-E25 VanDerWaalsContact NH2-OE2 3.16Å; R19-G107 PolarHBondContact NE-O 3.23Å; R19-I323 PolarHBondContact N-O 3.23Å; R19-S324 PolarHBondContact NH1-OG 3.07Å; R19-S324 PolarHBondContact NH2-OG 2.77Å; R19-P325 WeakPolarHBondContact O-CD 3.26Å; R19-P325 VanDerWaalsContact O-CG 3.31Å; R19-P325 WeakPolarHBondContact O-CG 3.31Å
20P94.8Very high92.5Very high79 Ų7952.8 Ų52.851%0.51329%0.29SS..PPolyproline II helixtrans-56.7156.2163.823.6-34.5000111.9F73P20-F73 HydrophobicContact CB-CB 3.89Å; P20-F73 HydrophobicContact CG-CB 4.36Å
21L92.9Very high93Very high35 Ų3553.9 Ų53.918%0.18330%0.302CS..PPolyproline II helixtrans-65.1131.7171-167.770.2000109E25 Q26 I32 P325 A326L21-E25 HydrophobicContact CD1-CB 3.71Å; L21-E25 HydrophobicContact CD1-CG 4.48Å; L21-E25 HydrophobicContact CG-CB 4.03Å; L21-Q26 HydrophobicContact CD2-CG 3.64Å; L21-Q26 HydrophobicContact CG-CG 4.03Å; L21-Q26 PolarHBondContact O-NE2 2.84Å; L21-I32 HydrophobicContact CD2-CG1 4.38Å; L21-P325 HydrophobicContact CB-CG 4.13Å; L21-P325 HydrophobicContact CD1-CG 4.11Å; L21-A326 HydrophobicContact CD1-CB 3.64Å
22S91.8Very high93.4Very high41 Ų4153.2 Ų53.229%0.28730%0.3SS..PPolyproline II helixtrans-81.8160.9-178.168.10000112.1A24 E25 Q26S22-A24 VanDerWaalsContact C-N 3.29Å; S22-A24 PolarHBondContact O-N 3.03Å; S22-E25 PolarHBondContact N-OE2 3.41Å; S22-E25 PolarHBondContact O-N 3.1Å; S22-E25 VanDerWaalsContact O-N 3.09Å; S22-E25 VanDerWaalsContact OG-CG 3.31Å; S22-E25 WeakPolarHBondContact OG-CG 3.33Å; S22-E25 PolarHBondContact OG-N 3.43Å; S22-E25 PolarHBondContact OG-OE2 3.34Å; S22-E25 VanDerWaalsContact OG-OE2 3.13Å; S22-Q26 WeakPolarHBondContact O-CG 3.36Å; S22-Q26 PolarHBondContact O-N 3.02Å; S22-Q26 PolarHBondContact O-NE2 2.98Å
23D91.9Very high93.5Very high121 Ų12153.4 Ų53.465%0.64730%0.301SS*.Hα-helixtrans-59.7-41.6-180-47.5-41.8000111.2E25 Q26 E27D23-E25 VanDerWaalsContact C-N 3.35Å; D23-E25 PolarHBondContact O-N 2.64Å; D23-Q26 WeakPolarHBondContact O-CB 3.45Å; D23-Q26 PolarHBondContact O-N 3.38Å; D23-Q26 VanDerWaalsContact O-N 3.11Å; D23-E27 WeakPolarHBondContact O-CG 3.27Å; D23-E27 PolarHBondContact O-N 2.94Å
24A89.4Confident93.5Very high57 Ų5751.4 Ų51.447%0.47129%0.29SS..Hα-helixtrans-63.1-35.6174.600000113.3S22 Q26 E27 E28S22-A24 VanDerWaalsContact C-N 3.29Å; S22-A24 PolarHBondContact O-N 3.03Å; A24-Q26 VanDerWaalsContact C-N 3.33Å; A24-E27 PolarHBondContact O-N 3.5Å; A24-E28 WeakPolarHBondContact O-CB 3.5Å; A24-E28 WeakPolarHBondContact O-CG 3.34Å; A24-E28 PolarHBondContact O-N 2.85Å
25E92.1Very high93.4Very high19 Ų1955.5 Ų55.59%0.08931%0.308CS..Hα-helixtrans-71.7-29.1174.4-71.3165.5154.500111.7R19 L21 S22 D23 G29 A30 S324 A326R19-E25 IonicContact CZ-OE1 3.47Å; R19-E25 IonicContact CZ-OE2 3.57Å; R19-E25 IonicContact NH1-OE1 2.71Å; R19-E25 IonicContact NH1-OE2 2.84Å; R19-E25 PolarHBondContact NH1-OE2 3.26Å; R19-E25 IonicContact NH2-OE1 2.75Å; R19-E25 PolarHBondContact NH2-OE1 3.29Å; R19-E25 IonicContact NH2-OE2 3.62Å; R19-E25 PolarHBondContact NH2-OE2 2.93Å; R19-E25 VanDerWaalsContact NH2-OE2 3.16Å; L21-E25 HydrophobicContact CD1-CB 3.71Å; L21-E25 HydrophobicContact CD1-CG 4.48Å; L21-E25 HydrophobicContact CG-CB 4.03Å; S22-E25 PolarHBondContact N-OE2 3.41Å; S22-E25 PolarHBondContact O-N 3.1Å; S22-E25 VanDerWaalsContact O-N 3.09Å; S22-E25 VanDerWaalsContact OG-CG 3.31Å; S22-E25 WeakPolarHBondContact OG-CG 3.33Å; S22-E25 PolarHBondContact OG-N 3.43Å; S22-E25 PolarHBondContact OG-OE2 3.34Å; S22-E25 VanDerWaalsContact OG-OE2 3.13Å; D23-E25 VanDerWaalsContact C-N 3.35Å; D23-E25 PolarHBondContact O-N 2.64Å; E25-G29 PolarHBondContact O-N 3.49Å; E25-A30 HydrophobicContact CB-CB 4.24Å; E25-A30 WeakPolarHBondContact O-CB 3.48Å; E25-A30 PolarHBondContact O-N 2.98Å; E25-S324 PolarHBondContact OE1-OG 2.83Å; E25-S324 PolarHBondContact OE2-OG 2.94Å; E25-A326 HydrophobicContact CB-CB 4.22Å; E25-A326 HydrophobicContact CG-CB 3.92Å; E25-A326 WeakPolarHBondContact OE1-CB 3.49Å
26Q91.7Very high93.2Very high113 Ų11359.3 Ų59.353%0.52832%0.323SS..Hα-helixtrans-71.7-40.9171.8-67.7169.765.900111.5L21 S22 D23 A24 G29L21-Q26 HydrophobicContact CD2-CG 3.64Å; L21-Q26 HydrophobicContact CG-CG 4.03Å; L21-Q26 PolarHBondContact O-NE2 2.84Å; S22-Q26 WeakPolarHBondContact O-CG 3.36Å; S22-Q26 PolarHBondContact O-N 3.02Å; S22-Q26 PolarHBondContact O-NE2 2.98Å; D23-Q26 WeakPolarHBondContact O-CB 3.45Å; D23-Q26 PolarHBondContact O-N 3.38Å; D23-Q26 VanDerWaalsContact O-N 3.11Å; A24-Q26 VanDerWaalsContact C-N 3.33Å; Q26-G29 WeakPolarHBondContact O-CA 3.22Å; Q26-G29 PolarHBondContact O-N 2.68Å
27E92.9Very high93Very high172 Ų17263.4 Ų63.480%0.80435%0.348SS*.Hα-helixtrans-64.5-36173.6-72176.6179.300112.5D23 A24 G29D23-E27 WeakPolarHBondContact O-CG 3.27Å; D23-E27 PolarHBondContact O-N 2.94Å; A24-E27 PolarHBondContact O-N 3.5Å; E27-G29 PolarHBondContact O-N 3.12Å
28E89.5Confident92.7Very high135 Ų13567.2 Ų67.263%0.63137%0.369SS*.THydrogen-bonded Turntrans-70.5-6.8169.7-75.4-178.8-178.900113.6A24A24-E28 WeakPolarHBondContact O-CB 3.5Å; A24-E28 WeakPolarHBondContact O-CG 3.34Å; A24-E28 PolarHBondContact O-N 2.85Å
29G89.3Confident92.5Very high57 Ų5771.6 Ų71.659%0.58839%0.393SS*.THydrogen-bonded Turntrans72.723.1-178.900000114.4E25 Q26 E27E25-G29 PolarHBondContact O-N 3.49Å; Q26-G29 WeakPolarHBondContact O-CA 3.22Å; Q26-G29 PolarHBondContact O-N 2.68Å; E27-G29 PolarHBondContact O-N 3.12Å
30A91.3Very high92.4Very high10 Ų1073.6 Ų73.68%0.08340%0.404CS..  trans-70.1137.4-177.700000112.3E25 A326 T328E25-A30 HydrophobicContact CB-CB 4.24Å; E25-A30 WeakPolarHBondContact O-CB 3.48Å; E25-A30 PolarHBondContact O-N 2.98Å; A30-A326 HydrophobicContact CB-CB 3.89Å; A30-T328 HydrophobicContact CB-CG2 4.06Å
31T91.3Very high92.4Very high86 Ų8672.4 Ų72.453%0.52839%0.392SS..  trans-94.3156.6178.552.80000111.5V33 A326 S327T31-V33 PolarHBondContact O-N 3.39Å; T31-A326 CarbonylContact O-C 3.54Å; T31-S327 PolarHBondContact N-OG 2.89Å; T31-S327 VanDerWaalsContact N-OG 3.12Å; T31-S327 PolarHBondContact O-N 3.28Å; T31-S327 WeakPolarHBondContact OG1-CB 3.18Å; T31-S327 PolarHBondContact OG1-OG 3.23Å
32I93.1Very high92.5Very high79 Ų7970.8 Ų70.841%0.40538%0.384SS..BIsolated β-bridgetrans-79.2113.6178.2-61.5177.7000109.8L21 H35 P325L21-I32 HydrophobicContact CD2-CG1 4.38Å; I32-H35 WeakPolarHBondContact CG2-CE1 3.46Å; I32-H35 PolarHBondContact O-NE2 2.93Å; I32-P325 CarbonylContact C-O 3.6Å; I32-P325 WeakPolarHBondContact CA-O 3.17Å; I32-P325 HydrophobicContact CG2-CB 4.13Å
33V93.6Very high92.7Very high5 Ų569.2 Ų69.23%0.0337%0.372CS..  trans-109.8-15.9179.8-63.60000114.5T31 L44 M45 P47 P325T31-V33 PolarHBondContact O-N 3.39Å; V33-L44 HydrophobicContact CG2-CD1 4.09Å; V33-L44 CarbonylContact O-C 3.59Å; V33-L44 WeakPolarHBondContact O-CA 3.34Å; V33-M45 HydrophobicContact CB-CB 4.42Å; V33-M45 WeakPolarHBondContact CB-O 3.47Å; V33-M45 PolarHBondContact O-N 3.28Å; V33-P47 HydrophobicContact CG1-CB 3.96Å; V33-P47 HydrophobicContact CG1-CG 4.29Å; V33-P325 WeakPolarHBondContact CG2-O 3.21Å; V33-P325 PolarHBondContact N-O 3.46Å
34A95.3Very high92.8Very high4 Ų463.6 Ų63.63%0.03334%0.342CS..EExtended strand (participates in β ladder)trans-108.4117.5178.100000110.7I18 L44 I323I18-A34 HydrophobicContact CD1-CB 4.22Å; I18-A34 HydrophobicContact CG2-CB 4.35Å; A34-L44 HydrophobicContact CB-CD1 3.82Å; A34-I323 HydrophobicContact CB-CD1 3.8Å
35H93.7Very high92.9Very high85 Ų8564 Ų6439%0.39434%0.335SS..EExtended strand (participates in β ladder)trans-122.8127.1-173.8-63.8-85.4000110.9I32 V42 V43I32-H35 WeakPolarHBondContact CG2-CE1 3.46Å; I32-H35 PolarHBondContact O-NE2 2.93Å; H35-V42 WeakPolarHBondContact O-CA 3.32Å; H35-V43 PolarHBondContact N-O 2.91Å; H35-V43 PolarHBondContact O-N 3.33Å
36R94.9Very high92.6Very high80 Ų8064.3 Ų64.330%0.30234%0.337SS..EExtended strand (participates in β ladder)trans-75.4121.7165.7-173.9-169.2-165.2-106.85.4107.7D39 A70 D72R36-D39 IonicContact CZ-OD1 3.16Å; R36-D39 VanDerWaalsContact CZ-OD1 3.26Å; R36-D39 IonicContact NH1-OD1 3.59Å; R36-D39 PolarHBondContact NH1-OD1 2.71Å; R36-D39 VanDerWaalsContact NH1-OD1 3.1Å; R36-D39 IonicContact NH2-OD1 3.56Å; R36-D39 PolarHBondContact NH2-OD1 3.48Å; R36-A70 HydrophobicContact CG-CB 4.39Å; R36-A70 VanDerWaalsContact CZ-O 3.3Å; R36-A70 PolarHBondContact NE-O 2.93Å; R36-A70 PolarHBondContact NH2-O 3.38Å; R36-D72 HydrophobicContact CB-CB 4.09Å; R36-D72 WeakPolarHBondContact CD-OD2 3.49Å
37V92.6Very high92Very high87 Ų8761.1 Ų61.153%0.52733%0.326SS..  trans-103.5-29.4-179.3-178.10000111.1M41 V43V37-M41 HydrophobicContact CB-CE 4.16Å; V37-M41 HydrophobicContact CB-CG 4.43Å; V37-M41 HydrophobicContact CG1-CE 3.98Å; V37-M41 HydrophobicContact CG2-CE 4.43Å; V37-M41 PolarHBondContact N-O 2.95Å; V37-V43 HydrophobicContact CG2-CB 4.16Å; V37-V43 HydrophobicContact CG2-CG2 3.74Å
38D91.9Very high90.9Very high96 Ų9657.5 Ų57.551%0.51331%0.311SS..SBendtrans-153.2171.3179.6-172.320.4000109.5Q40 M41D38-Q40 PolarHBondContact O-N 2.82Å; D38-M41 HydrophobicContact CB-CB 3.86Å; D38-M41 PolarHBondContact N-O 2.9Å; D38-M41 PolarHBondContact O-N 3.49Å; D38-M41 VanDerWaalsContact O-N 3.17Å
39D92.3Very high89.4Confident98 Ų9858.3 Ų58.352%0.52432%0.315SS..SBendtrans-57.2-17.1179.6-81.1-8000114.3R36 V69 A70R36-D39 IonicContact CZ-OD1 3.16Å; R36-D39 VanDerWaalsContact CZ-OD1 3.26Å; R36-D39 IonicContact NH1-OD1 3.59Å; R36-D39 PolarHBondContact NH1-OD1 2.71Å; R36-D39 VanDerWaalsContact NH1-OD1 3.1Å; R36-D39 IonicContact NH2-OD1 3.56Å; R36-D39 PolarHBondContact NH2-OD1 3.48Å; D39-V69 CarbonylContact O-C 3.58Å; D39-V69 WeakPolarHBondContact O-CA 3.35Å; D39-A70 PolarHBondContact O-N 3.31Å
40Q94.4Very high87.9Confident86 Ų8659 Ų5940%0.40231%0.305SS..SBendtrans-124.6-10.9175.3-65.8-169.2-23.100114.6D38 M66 F67 D68D38-Q40 PolarHBondContact O-N 2.82Å; Q40-M66 WeakPolarHBondContact O-CA 3.37Å; Q40-F67 PolarHBondContact O-N 2.77Å; Q40-D68 PolarHBondContact NE2-O 3.29Å
41M94.9Very high86.3Confident55 Ų5564.2 Ų64.227%0.27134%0.338SS..EExtended strand (participates in β ladder)trans-112.5128.5-167.2-173.5170.5135.900112.3V37 D38 V43 T64V37-M41 HydrophobicContact CB-CE 4.16Å; V37-M41 HydrophobicContact CB-CG 4.43Å; V37-M41 HydrophobicContact CG1-CE 3.98Å; V37-M41 HydrophobicContact CG2-CE 4.43Å; V37-M41 PolarHBondContact N-O 2.95Å; D38-M41 HydrophobicContact CB-CB 3.86Å; D38-M41 PolarHBondContact N-O 2.9Å; D38-M41 PolarHBondContact O-N 3.49Å; D38-M41 VanDerWaalsContact O-N 3.17Å; M41-V43 HydrophobicContact CE-CG2 4Å; M41-T64 HydrophobicContact CE-CG2 3.69Å; M41-T64 HydrophobicContact CG-CG2 3.51Å; M41-T64 HydrophobicContact SD-CG2 3.73Å
42V95.8Very high84.6Confident0 Ų066.8 Ų66.80%035%0.348CS..EExtended strand (participates in β ladder)trans-129134.1177.61750000109.9L16 I18 H35 T64 Y65 A70L16-V42 HydrophobicContact CD2-CB 4.06Å; L16-V42 HydrophobicContact CD2-CG1 3.89Å; L16-V42 HydrophobicContact CD2-CG2 3.73Å; I18-V42 HydrophobicContact CD1-CG1 3.91Å; I18-V42 HydrophobicContact CD1-CG2 4.38Å; H35-V42 WeakPolarHBondContact O-CA 3.32Å; V42-T64 CarbonylContact O-C 3.27Å; V42-T64 WeakPolarHBondContact O-CA 3.09Å; V42-Y65 PolarHBondContact N-O 3.35Å; V42-Y65 PolarHBondContact O-N 3.33Å; V42-A70 HydrophobicContact CG2-CB 3.65Å
43V94.7Very high83.4Confident8 Ų865.1 Ų65.15%0.04834%0.34CS..EExtended strand (participates in β ladder)trans-108.1130174.6173.60000108.9H35 V37 M41 M45 E62 T64H35-V43 PolarHBondContact N-O 2.91Å; H35-V43 PolarHBondContact O-N 3.33Å; V37-V43 HydrophobicContact CG2-CB 4.16Å; V37-V43 HydrophobicContact CG2-CG2 3.74Å; M41-V43 HydrophobicContact CE-CG2 4Å; V43-M45 HydrophobicContact CG1-CG 4.39Å; V43-E62 HydrophobicContact CG1-CB 3.87Å; V43-E62 HydrophobicContact CG1-CG 3.85Å; V43-T64 HydrophobicContact CG2-CG2 4.41Å
44L94.6Very high82.1Confident4 Ų471.5 Ų71.52%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-105126.5167.9-170.376.3000108.9V33 A34 K63 Y65 F330 R334 L337V33-L44 HydrophobicContact CG2-CD1 4.09Å; V33-L44 CarbonylContact O-C 3.59Å; V33-L44 WeakPolarHBondContact O-CA 3.34Å; A34-L44 HydrophobicContact CB-CD1 3.82Å; L44-K63 PolarHBondContact N-O 3.15Å; L44-K63 PolarHBondContact O-N 3.35Å; L44-Y65 HydrophobicContact CB-CE2 4.4Å; L44-F330 HydrophobicContact CD1-CD2 4.2Å; L44-F330 HydrophobicContact CD2-CD2 3.62Å; L44-F330 HydrophobicContact CD2-CE2 3.43Å; L44-F330 VanDerWaalsContact CD2-CE2 3.43Å; L44-F330 HydrophobicContact CD2-CZ 4.36Å; L44-F330 HydrophobicContact CG-CD2 3.79Å; L44-F330 HydrophobicContact CG-CE2 3.7Å; L44-R334 HydrophobicContact CD2-CB 3.65Å; L44-R334 HydrophobicContact CD2-CG 4.39Å; L44-L337 HydrophobicContact CB-CD1 4.01Å; L44-L337 HydrophobicContact CD1-CD1 4.27Å; L44-L337 HydrophobicContact CD2-CD1 4.01Å; L44-L337 HydrophobicContact CG-CD1 4.33Å
45M90.9Very high80.7Confident66 Ų6678.4 Ų78.433%0.32541%0.408SS..EExtended strand (participates in β ladder)trans-96.4138.2177.1-63.1177.1174.300110.3V33 V43 P47 R61 E62 F330V33-M45 HydrophobicContact CB-CB 4.42Å; V33-M45 WeakPolarHBondContact CB-O 3.47Å; V33-M45 PolarHBondContact O-N 3.28Å; V43-M45 HydrophobicContact CG1-CG 4.39Å; M45-P47 WeakPolarHBondContact O-CD 3.46Å; M45-R61 CarbonylContact C-O 3.55Å; M45-E62 HydrophobicContact CE-CG 4.41Å; M45-E62 HydrophobicContact CG-CG 4.07Å; M45-F330 VanDerWaalsContact O-CD2 3.23Å; M45-F330 WeakPolarHBondContact O-CD2 3.38Å; M45-F330 WeakPolarHBondContact O-CE2 3.44Å
46D86.4Confident79.2Confident24 Ų2478.4 Ų78.413%0.12841%0.405CS..  trans-82.9111.5176.1-161-48.1000110.2M48 R56 R61 F330D46-M48 PolarHBondContact O-N 3.17Å; D46-M48 WeakPolarHBondContact OD1-CB 3.48Å; D46-M48 PolarHBondContact OD1-N 3.05Å; D46-M48 VanDerWaalsContact OD1-N 3.12Å; D46-R56 IonicContact OD1-NH1 2.8Å; D46-R56 IonicContact OD2-CZ 3.45Å; D46-R56 IonicContact OD2-NH1 2.69Å; D46-R56 PolarHBondContact OD2-NH1 3.28Å; D46-R61 HydrophobicContact CB-CB 4.48Å; D46-R61 WeakPolarHBondContact CB-O 3.47Å; D46-R61 PolarHBondContact N-O 2.92Å; D46-R61 PolarHBondContact O-NE 3.22Å; D46-R61 PolarHBondContact O-NH2 3.45Å; D46-F330 HydrophobicContact CB-CE1 4.43Å; D46-F330 HydrophobicContact CB-CE2 4.08Å; D46-F330 HydrophobicContact CB-CZ 3.72Å; D46-F330 VanDerWaalsContact CG-CZ 3.41Å; D46-F330 WeakPolarHBondContact OD2-CE1 3.39Å; D46-F330 VanDerWaalsContact OD2-CZ 3.28Å; D46-F330 WeakPolarHBondContact OD2-CZ 3.41Å
47P78.9Confident77.6Confident46 Ų4678.3 Ų78.330%0.29942%0.421SS..  trans-73.1-6.9-175.630.8-35.3000113.2V33 M45 E49 F330V33-P47 HydrophobicContact CG1-CB 3.96Å; V33-P47 HydrophobicContact CG1-CG 4.29Å; M45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-E49 PolarHBondContact O-N 2.92Å; P47-F330 VanDerWaalsContact CD-CG 3.48Å; P47-F330 HydrophobicContact CG-CB 3.93Å; P47-F330 HydrophobicContact CG-CD1 4.43Å; P47-F330 HydrophobicContact CG-CD2 4.44Å; P47-F330 HydrophobicContact CG-CG 4.03Å
48M70.7Confident75.9Confident97 Ų9782 Ų8248%0.47844%0.438SS..  trans-73.698-172.8-165.3166.6-17500111.7D46 D50D46-M48 PolarHBondContact O-N 3.17Å; D46-M48 WeakPolarHBondContact OD1-CB 3.48Å; D46-M48 PolarHBondContact OD1-N 3.05Å; D46-M48 VanDerWaalsContact OD1-N 3.12Å; M48-D50 VanDerWaalsContact C-N 3.32Å; M48-D50 HydrophobicContact CE-CB 3.9Å; M48-D50 HydrophobicContact CG-CB 4.07Å; M48-D50 PolarHBondContact O-N 3.25Å
49E56.8Low74.7Confident152 Ų15286 Ų8671%0.7145%0.446SS*.  trans-90.567.6167.4-58.8-156.214900110.2P47 P51 R61P47-E49 PolarHBondContact O-N 2.92Å; E49-P51 VanDerWaalsContact O-CD 3.26Å; E49-P51 WeakPolarHBondContact O-CD 3.28Å; E49-R61 VanDerWaalsContact CG-NH2 3.25Å; E49-R61 IonicContact OE1-CZ 3.56Å; E49-R61 IonicContact OE1-NH1 3.99Å; E49-R61 PolarHBondContact OE1-NH1 3.3Å; E49-R61 IonicContact OE1-NH2 2.72Å; E49-R61 PolarHBondContact OE1-NH2 3.44Å
50D58.2Low73.5Confident72 Ų7286.3 Ų86.339%0.38546%0.455SS..  trans-95.5100.8169.6-168.2-22.5000108.8M48 D52 D53M48-D50 VanDerWaalsContact C-N 3.32Å; M48-D50 HydrophobicContact CE-CB 3.9Å; M48-D50 HydrophobicContact CG-CB 4.07Å; M48-D50 PolarHBondContact O-N 3.25Å; D50-D52 PolarHBondContact O-N 3.44Å; D50-D52 PolarHBondContact OD1-N 3.02Å; D50-D53 HydrophobicContact CB-CB 4.25Å; D50-D53 PolarHBondContact O-N 3.33Å; D50-D53 PolarHBondContact OD1-N 3.36Å
51P56.8Low72.8Confident118 Ų11887.9 Ų87.977%0.76646%0.458SS*.THydrogen-bonded Turntrans-67.4-15.8179.929.2-35.6000112.9E49E49-P51 VanDerWaalsContact O-CD 3.26Å; E49-P51 WeakPolarHBondContact O-CD 3.28Å
52D56.8Low72.3Confident141 Ų14190.4 Ų90.475%0.75447%0.469SS*.THydrogen-bonded Turntrans-91.3-9.6178.1-71-37.1000112.9D50 I54D50-D52 PolarHBondContact O-N 3.44Å; D50-D52 PolarHBondContact OD1-N 3.02Å; D52-I54 PolarHBondContact O-N 2.97Å
53D67.8Low72.1Confident44 Ų4495.1 Ų95.124%0.23549%0.489CS..  trans-79.470.7170.5-164.1-14.2000112.2D50 L55 R56 A57D50-D53 HydrophobicContact CB-CB 4.25Å; D50-D53 PolarHBondContact O-N 3.33Å; D50-D53 PolarHBondContact OD1-N 3.36Å; D53-L55 PolarHBondContact O-N 3.11Å; D53-L55 WeakPolarHBondContact OD1-CA 3.33Å; D53-L55 VanDerWaalsContact OD1-CB 3.3Å; D53-L55 WeakPolarHBondContact OD1-CB 3.48Å; D53-L55 PolarHBondContact OD1-N 3.43Å; D53-R56 HydrophobicContact CB-CB 4.28Å; D53-R56 PolarHBondContact O-N 2.87Å; D53-R56 PolarHBondContact OD1-N 3.19Å; D53-R56 VanDerWaalsContact OD1-N 3.16Å; D53-R56 WeakPolarHBondContact OD2-CD 3.28Å; D53-R56 WeakPolarHBondContact OD2-CG 3.32Å; D53-R56 IonicContact OD2-NE 2.72Å; D53-A57 PolarHBondContact O-N 2.94Å
54I66.6Low72.1Confident138 Ų13898 Ų9871%0.70851%0.507SS*.THydrogen-bonded Turntrans-55.1-22173.6-56.8164000111.8D52 R56D52-I54 PolarHBondContact O-N 2.97Å; I54-R56 VanDerWaalsContact C-N 3.35Å
55L64.3Low72.1Confident150 Ų15098.1 Ų98.179%0.78551%0.507SS*.THydrogen-bonded Turntrans-80.3-15.7177.9-55.1175.5000113.1D53D53-L55 PolarHBondContact O-N 3.11Å; D53-L55 WeakPolarHBondContact OD1-CA 3.33Å; D53-L55 VanDerWaalsContact OD1-CB 3.3Å; D53-L55 WeakPolarHBondContact OD1-CB 3.48Å; D53-L55 PolarHBondContact OD1-N 3.43Å
56R62.9Low72.4Confident85 Ų85100.2 Ų100.232%0.32152%0.518SS..THydrogen-bonded Turntrans-102.5-25.6175.3-79-176.6172.3-1234.6114.5D46 D53 I54 N58 R59D46-R56 IonicContact OD1-NH1 2.8Å; D46-R56 IonicContact OD2-CZ 3.45Å; D46-R56 IonicContact OD2-NH1 2.69Å; D46-R56 PolarHBondContact OD2-NH1 3.28Å; D53-R56 HydrophobicContact CB-CB 4.28Å; D53-R56 PolarHBondContact O-N 2.87Å; D53-R56 PolarHBondContact OD1-N 3.19Å; D53-R56 VanDerWaalsContact OD1-N 3.16Å; D53-R56 WeakPolarHBondContact OD2-CD 3.28Å; D53-R56 WeakPolarHBondContact OD2-CG 3.32Å; D53-R56 IonicContact OD2-NE 2.72Å; I54-R56 VanDerWaalsContact C-N 3.35Å; R56-N58 PolarHBondContact O-N 3.35Å; R56-R59 WeakPolarHBondContact O-CB 3.27Å; R56-R59 PolarHBondContact O-N 2.91Å
57A61Low72.8Confident77 Ų7799 Ų9964%0.63651%0.511SS*.THydrogen-bonded Turntrans-48.1-29.4-171.900000116.2D53D53-A57 PolarHBondContact O-N 2.94Å
58N58.3Low73.6Confident165 Ų16599.3 Ų99.388%0.88251%0.51SS*.THydrogen-bonded Turntrans-101.222.3179-70.3-57.6000114.7R56R56-N58 PolarHBondContact O-N 3.35Å
59R66.4Low74.9Confident180 Ų18095.8 Ų95.868%0.67949%0.494SS*.SBendtrans-106.5151174.9-63.5-174.1-177.8177.94110.9R56 R61R56-R59 WeakPolarHBondContact O-CB 3.27Å; R56-R59 PolarHBondContact O-N 2.91Å; R59-R61 PolarHBondContact O-N 3.44Å
60S67.3Low76.8Confident104 Ų10488.5 Ų88.573%0.72746%0.46SS*.  trans-61.4122.416761.60000109.1E62S60-E62 WeakPolarHBondContact CB-O 3.38Å; S60-E62 PolarHBondContact O-N 2.84Å; S60-E62 PolarHBondContact OG-O 2.98Å
61R78.2Confident78.6Confident119 Ų11985.6 Ų85.645%0.44944%0.444SS..SBendtrans-67.7-24.1170.3-64.9-177.766.4-178.6-1.4111M45 D46 E49 R59M45-R61 CarbonylContact C-O 3.55Å; D46-R61 HydrophobicContact CB-CB 4.48Å; D46-R61 WeakPolarHBondContact CB-O 3.47Å; D46-R61 PolarHBondContact N-O 2.92Å; D46-R61 PolarHBondContact O-NE 3.22Å; D46-R61 PolarHBondContact O-NH2 3.45Å; E49-R61 VanDerWaalsContact CG-NH2 3.25Å; E49-R61 IonicContact OE1-CZ 3.56Å; E49-R61 IonicContact OE1-NH1 3.99Å; E49-R61 PolarHBondContact OE1-NH1 3.3Å; E49-R61 IonicContact OE1-NH2 2.72Å; E49-R61 PolarHBondContact OE1-NH2 3.44Å; R59-R61 PolarHBondContact O-N 3.44Å
62E86Confident80.4Confident109 Ų10981.5 Ų81.551%0.50942%0.416SS..EExtended strand (participates in β ladder)trans-84.6142.8173-70.4168.3-144.100112.4V43 M45 S60V43-E62 HydrophobicContact CG1-CB 3.87Å; V43-E62 HydrophobicContact CG1-CG 3.85Å; M45-E62 HydrophobicContact CE-CG 4.41Å; M45-E62 HydrophobicContact CG-CG 4.07Å; S60-E62 WeakPolarHBondContact CB-O 3.38Å; S60-E62 PolarHBondContact O-N 2.84Å; S60-E62 PolarHBondContact OG-O 2.98Å
63K91.3Very high82Confident98 Ų9882.1 Ų82.143%0.42641%0.412SS..EExtended strand (participates in β ladder)trans-136.2121.7164.5-175.2-177.1170.7-163.30111.7L44 Y65L44-K63 PolarHBondContact N-O 3.15Å; L44-K63 PolarHBondContact O-N 3.35Å; K63-Y65 HydrophobicContact CB-CE2 4.41Å; K63-Y65 HydrophobicContact CD-CE1 4.46Å; K63-Y65 HydrophobicContact CD-CE2 3.84Å; K63-Y65 WeakPolarHBondContact CD-OH 3.35Å; K63-Y65 VanDerWaalsContact CE-CZ 3.44Å; K63-Y65 WeakPolarHBondContact CE-OH 3.32Å; K63-Y65 HydrophobicContact CG-CE2 3.96Å; K63-Y65 VanDerWaalsContact NZ-CE1 3.32Å; K63-Y65 PolarHBondContact NZ-OH 3.07Å
64T94.1Very high83.2Confident70 Ų7084.4 Ų84.443%0.42943%0.431SS..EExtended strand (participates in β ladder)trans-79.3146.9174.8-42.40000112.6M41 V42 V43M41-T64 HydrophobicContact CE-CG2 3.69Å; M41-T64 HydrophobicContact CG-CG2 3.51Å; M41-T64 HydrophobicContact SD-CG2 3.73Å; V42-T64 CarbonylContact O-C 3.27Å; V42-T64 WeakPolarHBondContact O-CA 3.09Å; V43-T64 HydrophobicContact CG2-CG2 4.41Å
65Y95.4Very high84.6Confident6 Ų678.5 Ų78.52%0.02440%0.403CS..EExtended strand (participates in β ladder)trans-135.6149.5168-64-96.6000109.8V42 L44 K63 F67 L337 T338 D341V42-Y65 PolarHBondContact N-O 3.35Å; V42-Y65 PolarHBondContact O-N 3.33Å; L44-Y65 HydrophobicContact CB-CE2 4.4Å; K63-Y65 HydrophobicContact CB-CE2 4.41Å; K63-Y65 HydrophobicContact CD-CE1 4.46Å; K63-Y65 HydrophobicContact CD-CE2 3.84Å; K63-Y65 WeakPolarHBondContact CD-OH 3.35Å; K63-Y65 VanDerWaalsContact CE-CZ 3.44Å; K63-Y65 WeakPolarHBondContact CE-OH 3.32Å; K63-Y65 HydrophobicContact CG-CE2 3.96Å; K63-Y65 VanDerWaalsContact NZ-CE1 3.32Å; K63-Y65 PolarHBondContact NZ-OH 3.07Å; Y65-F67 HydrophobicContact CD1-CZ 4.45Å; Y65-F67 HydrophobicContact CG-CZ 4.34Å; Y65-L337 HydrophobicContact CD1-CB 3.83Å; Y65-L337 HydrophobicContact CD2-CB 3.97Å; Y65-L337 HydrophobicContact CD2-CD1 3.94Å; Y65-L337 HydrophobicContact CD2-CD2 4.18Å; Y65-L337 HydrophobicContact CD2-CG 4.27Å; Y65-L337 HydrophobicContact CE1-CB 3.6Å; Y65-L337 HydrophobicContact CE2-CB 3.74Å; Y65-L337 HydrophobicContact CE2-CD1 3.77Å; Y65-L337 HydrophobicContact CE2-CG 4.27Å; Y65-L337 HydrophobicContact CG-CB 3.99Å; Y65-L337 HydrophobicContact CG-CD2 4.19Å; Y65-T338 PolarHBondContact OH-OG1 3.06Å; Y65-D341 HydrophobicContact CD1-CB 4.25Å
66M95.4Very high86.1Confident109 Ų10973.6 Ų73.654%0.53738%0.381SS..EExtended strand (participates in β ladder)trans-128.6107.7-175.8-69.2-173.175.400113Q40 K344Q40-M66 WeakPolarHBondContact O-CA 3.37Å; M66-K344 WeakPolarHBondContact O-CD 3.12Å; M66-K344 PolarHBondContact O-NZ 2.71Å
67F96.3Very high87.7Confident0 Ų069.8 Ų69.80%037%0.367CS..  trans-96.8-178.9-178.9-60.1-65.9000111.1V14 L16 Q40 Y65 L337 A340 K344V14-F67 HydrophobicContact CB-CD1 4.38Å; V14-F67 HydrophobicContact CG1-CD1 3.65Å; V14-F67 HydrophobicContact CG1-CE1 4.18Å; L16-F67 HydrophobicContact CB-CD2 3.64Å; L16-F67 HydrophobicContact CB-CE2 4.03Å; L16-F67 HydrophobicContact CB-CG 4.01Å; L16-F67 HydrophobicContact CD1-CE2 4.28Å; L16-F67 HydrophobicContact CD1-CZ 4.47Å; L16-F67 HydrophobicContact CD2-CD2 4.16Å; L16-F67 HydrophobicContact CD2-CE2 3.93Å; L16-F67 HydrophobicContact CG-CD2 4.36Å; L16-F67 HydrophobicContact CG-CE2 4.29Å; Q40-F67 PolarHBondContact O-N 2.77Å; Y65-F67 HydrophobicContact CD1-CZ 4.45Å; Y65-F67 HydrophobicContact CG-CZ 4.34Å; F67-L337 HydrophobicContact CE2-CD2 3.49Å; F67-L337 VanDerWaalsContact CE2-CD2 3.49Å; F67-L337 HydrophobicContact CZ-CD2 3.57Å; F67-A340 HydrophobicContact CD1-CB 4.39Å; F67-A340 HydrophobicContact CE1-CB 3.6Å; F67-A340 HydrophobicContact CZ-CB 4.27Å; F67-K344 PolarHBondContact O-NZ 3.01Å
68D95.8Very high89.4Confident51 Ų5168.4 Ų68.427%0.27335%0.348SS..SBendtrans-85.1-26.3174.7-57.4-43.9000111T13 V14 Q40 K344T13-D68 WeakPolarHBondContact CA-OD2 3.33Å; T13-D68 HydrophobicContact CG2-CB 4.02Å; V14-D68 PolarHBondContact N-OD2 3.33Å; V14-D68 PolarHBondContact O-N 2.98Å; Q40-D68 PolarHBondContact NE2-O 3.29Å; D68-K344 WeakPolarHBondContact OD1-CE 3.34Å; D68-K344 IonicContact OD1-NZ 2.64Å; D68-K344 PolarHBondContact OD1-NZ 3.11Å
69V96.5Very high91.2Very high23 Ų2365.4 Ų65.414%0.13933%0.328CS..EExtended strand (participates in β ladder)trans-151144.9162.961.80000109.7A15 L16 D39 F71 A83A15-V69 VanDerWaalsContact CA-O 3.3Å; A15-V69 WeakPolarHBondContact CA-O 3.31Å; A15-V69 HydrophobicContact CB-CG1 3.56Å; L16-V69 PolarHBondContact N-O 3.48Å; D39-V69 CarbonylContact O-C 3.58Å; D39-V69 WeakPolarHBondContact O-CA 3.35Å; V69-F71 HydrophobicContact CB-CZ 4.22Å; V69-F71 HydrophobicContact CG1-CE1 4.49Å; V69-F71 HydrophobicContact CG1-CE2 3.67Å; V69-F71 HydrophobicContact CG1-CZ 3.59Å; V69-F71 HydrophobicContact CG2-CD1 4.21Å; V69-F71 HydrophobicContact CG2-CE1 3.57Å; V69-F71 HydrophobicContact CG2-CE2 4.14Å; V69-F71 HydrophobicContact CG2-CZ 3.53Å; V69-A83 HydrophobicContact CG2-CB 4.43Å
70A97.3Very high92.6Very high0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-121140.117300000110.2L16 R36 D39 V42L16-A70 CarbonylContact O-C 3.58Å; L16-A70 WeakPolarHBondContact O-CA 3.47Å; R36-A70 HydrophobicContact CG-CB 4.39Å; R36-A70 VanDerWaalsContact CZ-O 3.3Å; R36-A70 PolarHBondContact NE-O 2.93Å; R36-A70 PolarHBondContact NH2-O 3.38Å; D39-A70 PolarHBondContact O-N 3.31Å; V42-A70 HydrophobicContact CG2-CB 3.65Å
71F97.3Very high94.1Very high10 Ų1051.9 Ų51.94%0.04426%0.261CS..EExtended strand (participates in β ladder)trans-128143.7179.2-53.2-70.4000109.8A15 L16 R17 I18 V69 A75 V80 A83 T84A15-F71 HydrophobicContact CB-CE2 4.03Å; L16-F71 WeakPolarHBondContact O-CD2 3.27Å; L16-F71 PolarHBondContact O-N 2.82Å; R17-F71 HydrophobicContact CB-CB 4.38Å; R17-F71 HydrophobicContact CB-CD2 4.47Å; R17-F71 HydrophobicContact CG-CB 4.08Å; I18-F71 PolarHBondContact N-O 3.03Å; V69-F71 HydrophobicContact CB-CZ 4.22Å; V69-F71 HydrophobicContact CG1-CE1 4.49Å; V69-F71 HydrophobicContact CG1-CE2 3.67Å; V69-F71 HydrophobicContact CG1-CZ 3.59Å; V69-F71 HydrophobicContact CG2-CD1 4.21Å; V69-F71 HydrophobicContact CG2-CE1 3.57Å; V69-F71 HydrophobicContact CG2-CE2 4.14Å; V69-F71 HydrophobicContact CG2-CZ 3.53Å; F71-A75 HydrophobicContact CB-CB 3.71Å; F71-A75 HydrophobicContact CD1-CB 3.89Å; F71-A75 HydrophobicContact CG-CB 4.18Å; F71-V80 HydrophobicContact CB-CG2 4.35Å; F71-V80 HydrophobicContact CD1-CG2 3.91Å; F71-V80 HydrophobicContact CD2-CG1 4.33Å; F71-V80 HydrophobicContact CD2-CG2 3.89Å; F71-V80 HydrophobicContact CE1-CG2 4.11Å; F71-V80 HydrophobicContact CE2-CB 4.32Å; F71-V80 HydrophobicContact CE2-CG1 4Å; F71-V80 HydrophobicContact CE2-CG2 4.08Å; F71-V80 HydrophobicContact CG-CG2 3.8Å; F71-V80 HydrophobicContact CZ-CB 4.34Å; F71-V80 HydrophobicContact CZ-CG1 4.42Å; F71-V80 HydrophobicContact CZ-CG2 4.2Å; F71-A83 HydrophobicContact CE1-CB 4.13Å; F71-A83 HydrophobicContact CZ-CB 3.83Å; F71-T84 HydrophobicContact CE2-CG2 3.99Å; F71-T84 HydrophobicContact CZ-CG2 4.21Å
72D93.7Very high95Very high33 Ų3353.3 Ų53.318%0.17627%0.267CS..  trans-116.8-159.6170.361.535000111.1I18 R36 S74 A75I18-D72 CarbonylContact O-C 3.54Å; I18-D72 WeakPolarHBondContact O-CA 3.29Å; R36-D72 HydrophobicContact CB-CB 4.09Å; R36-D72 WeakPolarHBondContact CD-OD2 3.49Å; D72-S74 PolarHBondContact O-N 3.26Å; D72-S74 WeakPolarHBondContact OD1-CB 3.15Å; D72-S74 PolarHBondContact OD1-N 3.03Å; D72-S74 PolarHBondContact OD1-OG 3.47Å; D72-A75 WeakPolarHBondContact O-CB 3.36Å; D72-A75 PolarHBondContact O-N 3.46Å
73F90.6Very high95.4Very high154 Ų15450.8 Ų50.868%0.67526%0.264SS*.THydrogen-bonded Turntrans-68.3-15.2-179.166.8-92.2000114.4P20 A75P20-F73 HydrophobicContact CB-CB 3.89Å; P20-F73 HydrophobicContact CG-CB 4.36Å; F73-A75 VanDerWaalsContact C-N 3.32Å
74S93.4Very high95.6Very high91 Ų9146.6 Ų46.664%0.63625%0.247SC*.THydrogen-bonded Turntrans-80.5-15175.193.20000112.7D72 S76D72-S74 PolarHBondContact O-N 3.26Å; D72-S74 WeakPolarHBondContact OD1-CB 3.15Å; D72-S74 PolarHBondContact OD1-N 3.03Å; D72-S74 PolarHBondContact OD1-OG 3.47Å; S74-S76 PolarHBondContact O-N 3.04Å
75A95.3Very high95.6Very high14 Ų1443.3 Ų43.312%0.11623%0.227CC..  trans-83.2111.5-172.300000112.7R17 F71 D72 F73 V80R17-A75 PolarHBondContact NH2-O 2.88Å; F71-A75 HydrophobicContact CB-CB 3.71Å; F71-A75 HydrophobicContact CD1-CB 3.89Å; F71-A75 HydrophobicContact CG-CB 4.18Å; D72-A75 WeakPolarHBondContact O-CB 3.36Å; D72-A75 PolarHBondContact O-N 3.46Å; F73-A75 VanDerWaalsContact C-N 3.32Å; A75-V80 HydrophobicContact CB-CG2 4.26Å
76S96.4Very high95.6Very high47 Ų4747 Ų4733%0.32924%0.243SC..  trans-66161.2178.1720000112.9S74 E78 E79 V80S74-S76 PolarHBondContact O-N 3.04Å; S76-E78 PolarHBondContact O-N 3.29Å; S76-E78 PolarHBondContact OG-N 2.91Å; S76-E79 WeakPolarHBondContact CB-OE2 3.4Å; S76-E79 PolarHBondContact N-OE2 3.29Å; S76-E79 PolarHBondContact O-N 3.28Å; S76-E79 VanDerWaalsContact OG-CD 3.31Å; S76-E79 WeakPolarHBondContact OG-CG 3.43Å; S76-E79 PolarHBondContact OG-N 3.19Å; S76-E79 PolarHBondContact OG-OE2 3.24Å; S76-V80 WeakPolarHBondContact O-CG2 3.33Å; S76-V80 PolarHBondContact O-N 2.86Å; S76-V80 VanDerWaalsContact O-N 3.13Å
77Q96Very high95.5Very high6 Ų644.4 Ų44.43%0.02824%0.244CC..Hα-helixtrans-56.3-31.4173.2-60.5-75.266.100113.1R17 Y81 Y112 E120 P121R17-Q77 VanDerWaalsContact NH2-OE1 3.09Å; Q77-Y81 VanDerWaalsContact O-CB 3.23Å; Q77-Y81 WeakPolarHBondContact O-CB 3.35Å; Q77-Y81 PolarHBondContact O-N 2.96Å; Q77-Y112 PolarHBondContact NE2-O 3.34Å; Q77-E120 HydrophobicContact CG-CB 3.95Å; Q77-E120 PolarHBondContact NE2-O 2.93Å; Q77-P121 WeakPolarHBondContact CB-O 3.44Å
78E95.9Very high95.4Very high47 Ų4745.1 Ų45.122%0.2225%0.248CC..Hα-helixtrans-74.5-40.2-179.6179.362.3-174.500111.9S76 Y81 R82 R126S76-E78 PolarHBondContact O-N 3.29Å; S76-E78 PolarHBondContact OG-N 2.91Å; E78-Y81 PolarHBondContact O-N 3.46Å; E78-R82 WeakPolarHBondContact O-CB 3.43Å; E78-R82 VanDerWaalsContact O-CG 3.26Å; E78-R82 WeakPolarHBondContact O-CG 3.29Å; E78-R82 PolarHBondContact O-N 3.31Å; E78-R82 IonicContact OE1-CZ 2.7Å; E78-R82 IonicContact OE1-NE 2.61Å; E78-R82 PolarHBondContact OE1-NE 2.7Å; E78-R82 IonicContact OE1-NH2 3.35Å; E78-R82 PolarHBondContact OE1-NH2 3.35Å; E78-R126 WeakPolarHBondContact OE2-CD 3.47Å; E78-R126 IonicContact OE2-CZ 3.15Å; E78-R126 IonicContact OE2-NE 2.72Å; E78-R126 IonicContact OE2-NH1 3.48Å; E78-R126 PolarHBondContact OE2-NH1 3.46Å
79E96.5Very high95.3Very high102 Ų10243.1 Ų43.148%0.47724%0.237SC..Hα-helixtrans-68-44.8177.8-70.9154.7138.800111.1S76 Y81 R82 A83S76-E79 WeakPolarHBondContact CB-OE2 3.4Å; S76-E79 PolarHBondContact N-OE2 3.29Å; S76-E79 PolarHBondContact O-N 3.28Å; S76-E79 VanDerWaalsContact OG-CD 3.31Å; S76-E79 WeakPolarHBondContact OG-CG 3.43Å; S76-E79 PolarHBondContact OG-N 3.19Å; S76-E79 PolarHBondContact OG-OE2 3.24Å; E79-Y81 VanDerWaalsContact C-N 3.3Å; E79-Y81 PolarHBondContact O-N 3.15Å; E79-R82 PolarHBondContact O-N 2.67Å; E79-A83 WeakPolarHBondContact O-CB 3.43Å; E79-A83 PolarHBondContact O-N 3.47Å
80V96.9Very high95.1Very high0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-59.8-41.9173.7177.70000110.9F71 A75 S76 T84 T113F71-V80 HydrophobicContact CB-CG2 4.35Å; F71-V80 HydrophobicContact CD1-CG2 3.91Å; F71-V80 HydrophobicContact CD2-CG1 4.33Å; F71-V80 HydrophobicContact CD2-CG2 3.89Å; F71-V80 HydrophobicContact CE1-CG2 4.11Å; F71-V80 HydrophobicContact CE2-CB 4.32Å; F71-V80 HydrophobicContact CE2-CG1 4Å; F71-V80 HydrophobicContact CE2-CG2 4.08Å; F71-V80 HydrophobicContact CG-CG2 3.8Å; F71-V80 HydrophobicContact CZ-CB 4.34Å; F71-V80 HydrophobicContact CZ-CG1 4.42Å; F71-V80 HydrophobicContact CZ-CG2 4.2Å; A75-V80 HydrophobicContact CB-CG2 4.26Å; S76-V80 WeakPolarHBondContact O-CG2 3.33Å; S76-V80 PolarHBondContact O-N 2.86Å; S76-V80 VanDerWaalsContact O-N 3.13Å; V80-T84 HydrophobicContact CG1-CG2 4.49Å; V80-T84 WeakPolarHBondContact O-CB 3.5Å; V80-T84 VanDerWaalsContact O-CG2 3.3Å; V80-T84 WeakPolarHBondContact O-CG2 3.39Å; V80-T84 PolarHBondContact O-N 2.92Å; V80-T84 PolarHBondContact O-OG1 3.38Å; V80-T113 HydrophobicContact CG1-CG2 4.11Å
81Y97.4Very high94.8Very high1 Ų149.1 Ų49.10%0.00426%0.264CS..Hα-helixtrans-62.8-48.9174.8165.5-112000113Q77 E78 E79 A83 T84 T85 K86 I89 I123 R126 T127 D130Q77-Y81 VanDerWaalsContact O-CB 3.23Å; Q77-Y81 WeakPolarHBondContact O-CB 3.35Å; Q77-Y81 PolarHBondContact O-N 2.96Å; E78-Y81 PolarHBondContact O-N 3.46Å; E79-Y81 VanDerWaalsContact C-N 3.3Å; E79-Y81 PolarHBondContact O-N 3.15Å; Y81-A83 PolarHBondContact O-N 2.87Å; Y81-T84 PolarHBondContact O-N 3.5Å; Y81-T85 HydrophobicContact CE2-CG2 4.39Å; Y81-T85 PolarHBondContact O-N 2.72Å; Y81-K86 HydrophobicContact CE1-CB 4.05Å; Y81-K86 HydrophobicContact CE1-CD 4.07Å; Y81-K86 HydrophobicContact CE1-CG 4.3Å; Y81-K86 HydrophobicContact CE2-CB 4.15Å; Y81-K86 PolarHBondContact O-N 3.42Å; Y81-K86 VanDerWaalsContact O-N 3.15Å; Y81-I89 WeakPolarHBondContact OH-CD1 2.98Å; Y81-I123 HydrophobicContact CD2-CD1 4.21Å; Y81-R126 HydrophobicContact CD1-CB 3.67Å; Y81-R126 HydrophobicContact CD1-CG 4.31Å; Y81-R126 HydrophobicContact CD2-CB 3.71Å; Y81-R126 HydrophobicContact CE1-CB 3.92Å; Y81-R126 HydrophobicContact CE2-CB 3.98Å; Y81-R126 HydrophobicContact CG-CB 3.58Å; Y81-R126 HydrophobicContact CG-CG 4.29Å; Y81-T127 WeakPolarHBondContact CE2-OG1 3.38Å; Y81-D130 WeakPolarHBondContact OH-CB 3.37Å; Y81-D130 PolarHBondContact OH-OD2 2.85Å
82R96.6Very high94.5Very high149 Ų14948.8 Ų48.856%0.56226%0.263SS*.Hα-helixtrans-59.7-45.2-179.8-77.2175.9-174.4-171.37.7112.6E78 E79 K86E78-R82 WeakPolarHBondContact O-CB 3.43Å; E78-R82 VanDerWaalsContact O-CG 3.26Å; E78-R82 WeakPolarHBondContact O-CG 3.29Å; E78-R82 PolarHBondContact O-N 3.31Å; E78-R82 IonicContact OE1-CZ 2.7Å; E78-R82 IonicContact OE1-NE 2.61Å; E78-R82 PolarHBondContact OE1-NE 2.7Å; E78-R82 IonicContact OE1-NH2 3.35Å; E78-R82 PolarHBondContact OE1-NH2 3.35Å; E79-R82 PolarHBondContact O-N 2.67Å; R82-K86 HydrophobicContact CG-CD 4.24Å
83A95.5Very high94.4Very high55 Ų5548.2 Ų48.246%0.45526%0.26SS..Hα-helixtrans-83.7-8.5-175.700000114.2V69 F71 E79 Y81V69-A83 HydrophobicContact CG2-CB 4.43Å; F71-A83 HydrophobicContact CE1-CB 4.13Å; F71-A83 HydrophobicContact CZ-CB 3.83Å; E79-A83 WeakPolarHBondContact O-CB 3.43Å; E79-A83 PolarHBondContact O-N 3.47Å; Y81-A83 PolarHBondContact O-N 2.87Å
84T95.3Very high94.2Very high11 Ų1142.6 Ų42.67%0.06724%0.24CC..Hα-helixtrans-114.3-57.3178.360.80000113.8A15 F71 V80 Y81 I320A15-T84 HydrophobicContact CB-CG2 3.79Å; F71-T84 HydrophobicContact CE2-CG2 3.99Å; F71-T84 HydrophobicContact CZ-CG2 4.21Å; V80-T84 HydrophobicContact CG1-CG2 4.49Å; V80-T84 WeakPolarHBondContact O-CB 3.5Å; V80-T84 VanDerWaalsContact O-CG2 3.3Å; V80-T84 WeakPolarHBondContact O-CG2 3.39Å; V80-T84 PolarHBondContact O-N 2.92Å; V80-T84 PolarHBondContact O-OG1 3.38Å; Y81-T84 PolarHBondContact O-N 3.5Å; T84-I320 HydrophobicContact CG2-CD1 4.03Å; T84-I320 HydrophobicContact CG2-CG1 4.23Å
85T95.1Very high94.1Very high0 Ų038.3 Ų38.30%021%0.21CC..THydrogen-bonded Turntrans-109-29.2-160-56.90000113.2Y81 G87 L88 V100 I123 T127Y81-T85 HydrophobicContact CE2-CG2 4.39Å; Y81-T85 PolarHBondContact O-N 2.72Å; T85-G87 VanDerWaalsContact C-N 3.29Å; T85-G87 PolarHBondContact O-N 2.87Å; T85-L88 HydrophobicContact CG2-CD1 4.32Å; T85-L88 VanDerWaalsContact O-CB 3.29Å; T85-L88 WeakPolarHBondContact O-CB 3.44Å; T85-L88 WeakPolarHBondContact O-CG 3.16Å; T85-L88 PolarHBondContact O-N 3.21Å; T85-V100 HydrophobicContact CG2-CG2 3.86Å; T85-I123 HydrophobicContact CG2-CG2 4Å; T85-T127 HydrophobicContact CG2-CG2 3.68Å; T85-T127 WeakPolarHBondContact CG2-OG1 3.49Å
86K95.2Very high93.9Very high84 Ų8440.3 Ų40.337%0.36522%0.215SC..Hα-helixtrans-54.7-42.5-178.3-175.1164.8-176.8151.30113.1Y81 R82 L88 I89 D130Y81-K86 HydrophobicContact CE1-CB 4.05Å; Y81-K86 HydrophobicContact CE1-CD 4.07Å; Y81-K86 HydrophobicContact CE1-CG 4.3Å; Y81-K86 HydrophobicContact CE2-CB 4.15Å; Y81-K86 PolarHBondContact O-N 3.42Å; Y81-K86 VanDerWaalsContact O-N 3.15Å; R82-K86 HydrophobicContact CG-CD 4.24Å; K86-L88 PolarHBondContact O-N 3.34Å; K86-L88 VanDerWaalsContact O-N 3.1Å; K86-I89 PolarHBondContact O-N 2.83Å; K86-D130 WeakPolarHBondContact CE-OD2 3.25Å; K86-D130 IonicContact NZ-OD2 3.28Å; K86-D130 PolarHBondContact NZ-OD2 2.87Å
87G92.6Very high93.8Very high54 Ų5439.1 Ų39.156%0.55721%0.205SC*.Hα-helixtrans-66.9-5.317800000115.7T85T85-G87 VanDerWaalsContact C-N 3.29Å; T85-G87 PolarHBondContact O-N 2.87Å
88L94Very high93.7Very high15 Ų1538.9 Ų38.98%0.07920%0.204CC..Hα-helixtrans-86.8-24.4174.9-53.5-179.5000112.4T85 K86 G91 L92 A98 V100 R316 V318T85-L88 HydrophobicContact CG2-CD1 4.32Å; T85-L88 VanDerWaalsContact O-CB 3.29Å; T85-L88 WeakPolarHBondContact O-CB 3.44Å; T85-L88 WeakPolarHBondContact O-CG 3.16Å; T85-L88 PolarHBondContact O-N 3.21Å; K86-L88 PolarHBondContact O-N 3.34Å; K86-L88 VanDerWaalsContact O-N 3.1Å; L88-G91 CarbonylContact O-C 3.58Å; L88-G91 WeakPolarHBondContact O-CA 3.16Å; L88-G91 PolarHBondContact O-N 3.23Å; L88-G91 VanDerWaalsContact O-N 3.14Å; L88-L92 PolarHBondContact O-N 3.34Å; L88-A98 HydrophobicContact CB-CB 4.05Å; L88-A98 HydrophobicContact CD1-CB 4.18Å; L88-V100 HydrophobicContact CD1-CG2 3.47Å; L88-V100 VanDerWaalsContact CD1-CG2 3.47Å; L88-R316 HydrophobicContact CD2-CB 3.95Å; L88-V318 HydrophobicContact CD1-CG2 3.82Å; L88-V318 HydrophobicContact CD2-CG2 4.11Å; L88-V318 HydrophobicContact CG-CG2 4.37Å
89I94.4Very high93.7Very high10 Ų1036.6 Ų36.65%0.05119%0.193CC..Hα-helixtrans-67.2-44.4-169.2-62178.1000112.1Y81 K86 G91 L92 I93 T127 D130 L131 A134Y81-I89 WeakPolarHBondContact OH-CD1 2.98Å; K86-I89 PolarHBondContact O-N 2.83Å; I89-G91 PolarHBondContact O-N 3.42Å; I89-L92 WeakPolarHBondContact O-CB 3.33Å; I89-L92 PolarHBondContact O-N 3.33Å; I89-I93 PolarHBondContact O-N 2.81Å; I89-T127 HydrophobicContact CD1-CG2 4.08Å; I89-T127 HydrophobicContact CG1-CG2 4.15Å; I89-D130 HydrophobicContact CD1-CB 3.46Å; I89-D130 VanDerWaalsContact CD1-CB 3.46Å; I89-L131 HydrophobicContact CG2-CB 4.32Å; I89-L131 HydrophobicContact CG2-CD1 4.14Å; I89-A134 HydrophobicContact CG2-CB 4.11Å
90E90.9Very high93.8Very high146 Ų14631.8 Ų31.868%0.68217%0.171SC*.Hα-helixtrans-58.3-38.4173.3-172-166.1172.300111.5I93 S94E90-I93 WeakPolarHBondContact O-CG1 3.28Å; E90-S94 VanDerWaalsContact O-CB 3.22Å; E90-S94 WeakPolarHBondContact O-CB 3.36Å; E90-S94 PolarHBondContact O-N 3.17Å; E90-S94 PolarHBondContact O-OG 3.13Å
91G90.9Very high93.7Very high3 Ų331.8 Ų31.83%0.03117%0.171CC..Hα-helixtrans-64.4-43172.600000112.1L88 I89 S94 G95 Y96L88-G91 CarbonylContact O-C 3.58Å; L88-G91 WeakPolarHBondContact O-CA 3.16Å; L88-G91 PolarHBondContact O-N 3.23Å; L88-G91 VanDerWaalsContact O-N 3.14Å; I89-G91 PolarHBondContact O-N 3.42Å; G91-S94 CarbonylContact O-C 3.52Å; G91-S94 WeakPolarHBondContact O-CB 3.11Å; G91-S94 PolarHBondContact O-N 3.5Å; G91-G95 PolarHBondContact O-N 2.95Å; G91-Y96 WeakPolarHBondContact O-CB 3.19Å; G91-Y96 WeakPolarHBondContact O-CD2 3.28Å; G91-Y96 PolarHBondContact O-N 3.09Å
92L92.4Very high93.7Very high3 Ų331.7 Ų31.72%0.01617%0.17CC..Hα-helixtrans-63.1-52.3-177.8-16277000112L88 I89 S94 G95 A98 L131 V228 A244 L246L88-L92 PolarHBondContact O-N 3.34Å; I89-L92 WeakPolarHBondContact O-CB 3.33Å; I89-L92 PolarHBondContact O-N 3.33Å; L92-S94 PolarHBondContact O-N 3.43Å; L92-G95 PolarHBondContact O-N 3.04Å; L92-A98 HydrophobicContact CD1-CB 4.17Å; L92-L131 HydrophobicContact CD2-CD1 3.91Å; L92-L131 HydrophobicContact CD2-CD2 3.84Å; L92-V228 HydrophobicContact CD2-CG2 3.76Å; L92-V228 HydrophobicContact CG-CG2 4.17Å; L92-A244 HydrophobicContact CD1-CB 3.62Å; L92-A244 HydrophobicContact CG-CB 4.01Å; L92-A244 WeakPolarHBondContact O-CB 3.47Å; L92-L246 HydrophobicContact CD1-CB 3.64Å; L92-L246 HydrophobicContact CD2-CB 3.73Å; L92-L246 HydrophobicContact CD2-CD2 4.04Å; L92-L246 HydrophobicContact CD2-CG 4.47Å; L92-L246 HydrophobicContact CG-CB 4.36Å
93I90.8Very high93.6Very high20 Ų2025.4 Ų25.410%0.10315%0.147CC..Hα-helixtrans-62.4-30.2176.965.2178.5000111.8I89 E90 G95 L131 A134 I135 Y144 Q230I89-I93 PolarHBondContact O-N 2.81Å; E90-I93 WeakPolarHBondContact O-CG1 3.28Å; I93-G95 VanDerWaalsContact C-N 3.27Å; I93-G95 PolarHBondContact O-N 2.81Å; I93-L131 HydrophobicContact CG2-CD1 3.72Å; I93-A134 HydrophobicContact CD1-CB 4.26Å; I93-I135 HydrophobicContact CG2-CG1 4.16Å; I93-Y144 HydrophobicContact CB-CE1 4.2Å; I93-Y144 HydrophobicContact CG2-CE1 4.44Å; I93-Q230 VanDerWaalsContact O-CD 3.24Å; I93-Q230 PolarHBondContact O-NE2 2.83Å; I93-Q230 PolarHBondContact O-OE1 3.16Å
94S87.6Confident93.5Very high37 Ų3722.8 Ų22.826%0.25913%0.125SC..THydrogen-bonded Turntrans-75.2-7.1175.6-63.90000114.7E90 G91 L92 K352E90-S94 VanDerWaalsContact O-CB 3.22Å; E90-S94 WeakPolarHBondContact O-CB 3.36Å; E90-S94 PolarHBondContact O-N 3.17Å; E90-S94 PolarHBondContact O-OG 3.13Å; G91-S94 CarbonylContact O-C 3.52Å; G91-S94 WeakPolarHBondContact O-CB 3.11Å; G91-S94 PolarHBondContact O-N 3.5Å; L92-S94 PolarHBondContact O-N 3.43Å; S94-K352 WeakPolarHBondContact O-CE 3.24Å; S94-K352 WeakPolarHBondContact O-CG 3.41Å
95G90.1Very high93.2Very high1 Ų122.7 Ų22.71%0.0113%0.125CC..THydrogen-bonded Turntrans94.421.1-179.600000115.6G91 L92 I93 N353G91-G95 PolarHBondContact O-N 2.95Å; L92-G95 PolarHBondContact O-N 3.04Å; I93-G95 VanDerWaalsContact C-N 3.27Å; I93-G95 PolarHBondContact O-N 2.81Å; G95-N353 WeakPolarHBondContact O-CB 3.46Å; G95-N353 PolarHBondContact O-N 3.44Å
96Y91.9Very high92.8Very high56 Ų5624.7 Ų24.722%0.2214%0.137CC..  trans-97.8132170.6-62.5-82.4000110.6G91 A244 V350 K352G91-Y96 WeakPolarHBondContact O-CB 3.19Å; G91-Y96 WeakPolarHBondContact O-CD2 3.28Å; G91-Y96 PolarHBondContact O-N 3.09Å; Y96-A244 WeakPolarHBondContact O-CB 3.4Å; Y96-V350 HydrophobicContact CD1-CG1 3.48Å; Y96-V350 VanDerWaalsContact CD1-CG1 3.48Å; Y96-V350 HydrophobicContact CE1-CG1 4.02Å; Y96-V350 HydrophobicContact CG-CG1 4.3Å; Y96-K352 HydrophobicContact CD1-CB 4.32Å; Y96-K352 HydrophobicContact CE1-CB 3.75Å; Y96-K352 HydrophobicContact CE1-CG 4.41Å; Y96-K352 HydrophobicContact CE2-CB 4.49Å; Y96-K352 HydrophobicContact CE2-CG 4.32Å
97N93.4Very high92.4Very high21 Ų2123 Ų2311%0.11214%0.143CC..  trans-63.2148.5171.4-70.5-26.3000111.4R245 N314 S315 R316 N353N97-R245 WeakPolarHBondContact CA-O 3.41Å; N97-R245 PolarHBondContact OD1-N 3.38Å; N97-N314 VanDerWaalsContact CB-O 3.28Å; N97-N314 WeakPolarHBondContact CB-O 3.47Å; N97-N314 PolarHBondContact ND2-O 2.87Å; N97-S315 PolarHBondContact O-OG 3.3Å; N97-R316 PolarHBondContact O-N 2.89Å; N97-N353 VanDerWaalsContact CG-ND2 3.25Å; N97-N353 PolarHBondContact ND2-ND2 2.8Å; N97-N353 PolarHBondContact OD1-ND2 3.33Å
98A95.3Very high92.3Very high1 Ų120.7 Ų20.71%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-137.3145.5177.100000111.3L88 L92 R245 L246 F247 S315 R316L88-A98 HydrophobicContact CB-CB 4.05Å; L88-A98 HydrophobicContact CD1-CB 4.18Å; L92-A98 HydrophobicContact CD1-CB 4.17Å; A98-R245 PolarHBondContact N-O 3.33Å; A98-L246 HydrophobicContact CB-CD1 3.86Å; A98-L246 CarbonylContact O-C 3.59Å; A98-L246 VanDerWaalsContact O-CA 3.3Å; A98-L246 WeakPolarHBondContact O-CA 3.12Å; A98-F247 PolarHBondContact O-N 3.45Å; A98-S315 VanDerWaalsContact C-OG 3.28Å; A98-S315 WeakPolarHBondContact CA-OG 3.3Å; A98-S315 PolarHBondContact N-OG 3.29Å; A98-R316 CarbonylContact C-O 3.45Å; A98-R316 VanDerWaalsContact CA-O 3.32Å; A98-R316 WeakPolarHBondContact CA-O 3.3Å
99T95.9Very high92.1Very high0 Ų020.9 Ų20.90%012%0.124CC..EExtended strand (participates in β ladder)trans-137.7126.3177.3-540000110.3F101 F247 I249 L307 S310 S315 R316 T317 V318T99-F101 HydrophobicContact CG2-CD1 4.44Å; T99-F247 CarbonylContact C-O 3.6Å; T99-F247 VanDerWaalsContact CA-O 3.32Å; T99-F247 WeakPolarHBondContact CA-O 3.4Å; T99-F247 HydrophobicContact CG2-CB 4.08Å; T99-I249 HydrophobicContact CG2-CD1 4.31Å; T99-L307 HydrophobicContact CG2-CD2 4.12Å; T99-S310 WeakPolarHBondContact CG2-OG 3.4Å; T99-S310 WeakPolarHBondContact OG1-CB 3.37Å; T99-S310 PolarHBondContact OG1-OG 2.99Å; T99-S315 PolarHBondContact N-OG 3.17Å; T99-S315 PolarHBondContact OG1-OG 2.97Å; T99-R316 PolarHBondContact N-O 2.91Å; T99-T317 HydrophobicContact CG2-CG2 4.39Å; T99-T317 CarbonylContact O-C 3.59Å; T99-T317 VanDerWaalsContact O-CA 3.3Å; T99-T317 WeakPolarHBondContact O-CA 3.32Å; T99-V318 PolarHBondContact O-N 3.05Å
100V97.1Very high92.1Very high0 Ų020.9 Ų20.90%012%0.124CC..EExtended strand (participates in β ladder)trans-119.9128.7170.6-173.70000108.5T85 L88 F247 M248 I249 V318 I320T85-V100 HydrophobicContact CG2-CG2 3.86Å; L88-V100 HydrophobicContact CD1-CG2 3.47Å; L88-V100 VanDerWaalsContact CD1-CG2 3.47Å; V100-F247 PolarHBondContact N-O 2.96Å; V100-M248 CarbonylContact O-C 3.58Å; V100-M248 WeakPolarHBondContact O-CA 3.4Å; V100-I249 PolarHBondContact O-N 3.14Å; V100-V318 WeakPolarHBondContact CA-O 3.21Å; V100-V318 HydrophobicContact CG2-CB 4.37Å; V100-I320 HydrophobicContact CG1-CD1 4.08Å; V100-I320 HydrophobicContact CG1-CG1 4.39Å
101F95.8Very high92.1Very high0 Ų015.9 Ų15.90%010%0.103CC..EExtended strand (participates in β ladder)trans-134.8132.317567.7-89.9000113.4T99 I249 L251 L311 T317 V318 M319 I320T99-F101 HydrophobicContact CG2-CD1 4.44Å; F101-I249 WeakPolarHBondContact CA-O 3.37Å; F101-I249 HydrophobicContact CB-CB 3.84Å; F101-I249 HydrophobicContact CB-CG2 4.33Å; F101-L251 HydrophobicContact CD2-CD1 3.78Å; F101-L251 HydrophobicContact CE2-CD1 4.45Å; F101-L311 HydrophobicContact CE1-CD2 4.43Å; F101-T317 HydrophobicContact CD1-CG2 4.15Å; F101-T317 HydrophobicContact CE1-CG2 3.72Å; F101-V318 PolarHBondContact N-O 2.75Å; F101-M319 HydrophobicContact CD2-CG 4.2Å; F101-M319 HydrophobicContact CE1-CB 4.01Å; F101-M319 HydrophobicContact CE2-CB 3.91Å; F101-M319 HydrophobicContact CE2-CE 4.45Å; F101-M319 HydrophobicContact CE2-CG 3.52Å; F101-M319 HydrophobicContact CE2-SD 3.95Å; F101-M319 HydrophobicContact CZ-CB 3.62Å; F101-M319 HydrophobicContact CZ-CG 3.71Å; F101-M319 HydrophobicContact CZ-SD 4.04Å; F101-I320 PolarHBondContact O-N 2.94Å
102A96.1Very high92.1Very high0 Ų019.5 Ų19.50%012%0.116CC..EExtended strand (participates in β ladder)trans-85127.1170.300000110.4K110 M114 I249 L251 I320A102-K110 HydrophobicContact CB-CB 3.94Å; A102-K110 HydrophobicContact CB-CG 4.26Å; A102-M114 HydrophobicContact CB-CG 3.53Å; A102-M114 HydrophobicContact CB-SD 3.82Å; A102-I249 PolarHBondContact N-O 2.93Å; A102-L251 VanDerWaalsContact O-CB 3.31Å; A102-L251 WeakPolarHBondContact O-CB 3.48Å; A102-L251 WeakPolarHBondContact O-CG 3.47Å; A102-L251 PolarHBondContact O-N 3.09Å; A102-I320 WeakPolarHBondContact CA-O 3.44Å
103Y94.9Very high92.3Very high16 Ų1619.4 Ų19.46%0.06312%0.116CC..EExtended strand (participates in β ladder)trans-128.3153.7178.7177.7-95.5000110.9L251 L277 M319 I320 A321 H322 T336 Y339Y103-L251 HydrophobicContact CD2-CD1 3.96Å; Y103-L277 HydrophobicContact CE2-CD2 4.34Å; Y103-M319 HydrophobicContact CD1-CE 3.34Å; Y103-M319 HydrophobicContact CE1-CE 4.18Å; Y103-M319 HydrophobicContact CG-CE 3.67Å; Y103-I320 PolarHBondContact N-O 2.89Å; Y103-A321 CarbonylContact O-C 3.6Å; Y103-A321 WeakPolarHBondContact O-CA 3.38Å; Y103-H322 WeakPolarHBondContact O-CB 3.3Å; Y103-H322 PolarHBondContact O-N 2.77Å; Y103-H322 PolarHBondContact O-ND1 3Å; Y103-H322 VanDerWaalsContact O-ND1 3.17Å; Y103-T336 HydrophobicContact CD1-CG2 4.03Å; Y103-T336 HydrophobicContact CE1-CG2 4.03Å; Y103-Y339 HydrophobicContact CD1-CD1 4.01Å; Y103-Y339 HydrophobicContact CD1-CE1 4.26Å; Y103-Y339 HydrophobicContact CD2-CE1 4.22Å; Y103-Y339 AromaticContact CE1-CD1 3.53Å; Y103-Y339 HydrophobicContact CE1-CD1 3.53Å; Y103-Y339 HydrophobicContact CE1-CD2 4.38Å; Y103-Y339 AromaticContact CE1-CE1 3.92Å; Y103-Y339 HydrophobicContact CE1-CE1 3.92Å; Y103-Y339 AromaticContact CE1-CG 3.77Å; Y103-Y339 HydrophobicContact CE1-CG 3.77Å; Y103-Y339 HydrophobicContact CE2-CD1 4.33Å; Y103-Y339 AromaticContact CE2-CE1 3.88Å; Y103-Y339 HydrophobicContact CE2-CE1 3.88Å; Y103-Y339 HydrophobicContact CE2-CE2 4.35Å; Y103-Y339 AromaticContact CE2-CZ 3.87Å; Y103-Y339 HydrophobicContact CG-CE1 4.4Å; Y103-Y339 AromaticContact CZ-CD1 3.71Å; Y103-Y339 AromaticContact CZ-CD2 3.97Å; Y103-Y339 AromaticContact CZ-CE1 3.71Å; Y103-Y339 AromaticContact CZ-CE2 3.97Å; Y103-Y339 AromaticContact CZ-CG 3.82Å; Y103-Y339 AromaticContact CZ-CZ 3.83Å; Y103-Y339 WeakPolarHBondContact OH-CD2 3.32Å
104G93.4Very high92.4Very high0 Ų018.4 Ų18.40%011%0.111CC..SBendtrans134.5-178.9178.600000112.7K110 S254G104-K110 WeakPolarHBondContact O-CD 3.43Å; G104-K110 WeakPolarHBondContact O-CE 3.36Å; G104-K110 PolarHBondContact O-NZ 2.72Å; G104-S254 PolarHBondContact O-N 2.99Å; G104-S254 PolarHBondContact O-OG 3.06Å
105P89.6Confident92.6Very high10 Ų1019 Ų197%0.06511%0.111CC..  trans-69.4164.7-176-17.832.3000112.6C108 K110 E255 H322 E332 T336P105-C108 PolarHBondContact O-N 3.12Å; P105-K110 PolarHBondContact O-NZ 2.64Å; P105-E255 WeakPolarHBondContact CA-OE2 3.22Å; P105-H322 VanDerWaalsContact CD-O 3.3Å; P105-H322 WeakPolarHBondContact CD-O 3.23Å; P105-E332 HydrophobicContact CG-CB 3.83Å; P105-T336 WeakPolarHBondContact CD-OG1 3.4Å
106T87.5Confident92.6Very high41 Ų4119.7 Ų19.725%0.25212%0.118SC..THydrogen-bonded Turntrans-57.5150.8165.9-67.40000110.7C108 S218 G253 E255T106-C108 PolarHBondContact O-N 3.03Å; T106-S218 VanDerWaalsContact OG1-CB 3.23Å; T106-S218 WeakPolarHBondContact OG1-CB 3.36Å; T106-G253 WeakPolarHBondContact OG1-CA 3.28Å; T106-E255 WeakPolarHBondContact CB-OE1 3.34Å; T106-E255 PolarHBondContact N-OE2 3.48Å; T106-E255 PolarHBondContact OG1-OE1 3.11Å; T106-E255 PolarHBondContact OG1-OE2 3Å
107G85.6Confident92.4Very high49 Ų4920.1 Ų20.151%0.50513%0.127SC..THydrogen-bonded Turntrans70.2-12.9-176.100000116.1R19 G109R19-G107 PolarHBondContact NE-O 3.23Å; G107-G109 PolarHBondContact O-N 2.91Å
108C90.7Very high91.9Very high6 Ų627.2 Ų27.24%0.04117%0.165CC..SBendtrans-79.95.5-177-64.70000114.9P105 T106 H322 S324P105-C108 PolarHBondContact O-N 3.12Å; T106-C108 PolarHBondContact O-N 3.03Å; C108-H322 HydrophobicContact CB-CB 4.04Å; C108-H322 WeakPolarHBondContact O-CB 3.41Å; C108-S324 PolarHBondContact SG-N 3.36Å; C108-S324 VanDerWaalsContact SG-N 3.45Å
109G90.8Very high91.6Very high18 Ų1836.6 Ų36.619%0.18621%0.205CC..SBendtrans97.89.4170.700000117.3G107 T111 Y112 T113G107-G109 PolarHBondContact O-N 2.91Å; G109-T111 PolarHBondContact O-N 3.36Å; G109-Y112 CarbonylContact O-C 3.57Å; G109-Y112 WeakPolarHBondContact O-CA 3.45Å; G109-Y112 WeakPolarHBondContact O-CB 3.34Å; G109-Y112 PolarHBondContact O-N 2.97Å; G109-T113 PolarHBondContact O-N 3.13Å
110K93.1Very high91.4Very high10 Ų1040.9 Ų40.94%0.04323%0.225CC..Hα-helixtrans-46.8-58.7178.2-63.7-169.2-64.7-75.30113.2A102 G104 P105 Y112 T113 M114 D250 L251 A252 H322A102-K110 HydrophobicContact CB-CB 3.94Å; A102-K110 HydrophobicContact CB-CG 4.26Å; G104-K110 WeakPolarHBondContact O-CD 3.43Å; G104-K110 WeakPolarHBondContact O-CE 3.36Å; G104-K110 PolarHBondContact O-NZ 2.72Å; P105-K110 PolarHBondContact O-NZ 2.64Å; K110-Y112 VanDerWaalsContact C-N 3.29Å; K110-Y112 PolarHBondContact O-N 3.35Å; K110-T113 PolarHBondContact O-N 2.75Å; K110-T113 VanDerWaalsContact O-N 3.15Å; K110-M114 WeakPolarHBondContact O-CG 3.31Å; K110-M114 PolarHBondContact O-N 3.2Å; K110-D250 WeakPolarHBondContact CB-OD1 3.41Å; K110-L251 WeakPolarHBondContact CE-O 3.13Å; K110-A252 WeakPolarHBondContact CE-O 3.29Å; K110-H322 HydrophobicContact CG-CB 4.21Å
111T90.4Very high91.1Very high42 Ų4242.6 Ų42.626%0.25824%0.236SC..Hα-helixtrans-67.3-28.2-179.8-41.50000112.4G109 M114 L115 G116 D250G109-T111 PolarHBondContact O-N 3.36Å; T111-M114 PolarHBondContact O-N 2.73Å; T111-L115 HydrophobicContact CG2-CB 4.3Å; T111-L115 WeakPolarHBondContact O-CA 3.42Å; T111-L115 WeakPolarHBondContact O-CB 3.46Å; T111-L115 PolarHBondContact O-N 3.41Å; T111-G116 PolarHBondContact O-N 3.49Å; T111-D250 WeakPolarHBondContact CA-OD1 3.38Å; T111-D250 PolarHBondContact N-OD1 2.66Å; T111-D250 PolarHBondContact OG1-OD1 3.45Å; T111-D250 PolarHBondContact OG1-OD2 3.44Å
112Y92.3Very high91.1Very high78 Ų7842.6 Ų42.631%0.30624%0.236SC..Hα-helixtrans-68.9-37.5172.3172.6-97000111.9Q77 G109 K110 G116 T117 E120Q77-Y112 PolarHBondContact NE2-O 3.34Å; G109-Y112 CarbonylContact O-C 3.57Å; G109-Y112 WeakPolarHBondContact O-CA 3.45Å; G109-Y112 WeakPolarHBondContact O-CB 3.34Å; G109-Y112 PolarHBondContact O-N 2.97Å; K110-Y112 VanDerWaalsContact C-N 3.29Å; K110-Y112 PolarHBondContact O-N 3.35Å; Y112-G116 WeakPolarHBondContact O-CA 3.46Å; Y112-G116 PolarHBondContact O-N 3.42Å; Y112-T117 HydrophobicContact CD2-CG2 4.25Å; Y112-T117 HydrophobicContact CE2-CG2 4.25Å; Y112-E120 PolarHBondContact OH-OE2 3.09Å
113T95.8Very high91Very high1 Ų142.7 Ų42.71%0.00624%0.237CC..Hα-helixtrans-68-46.5171-61.50000111.3R17 V80 G109 K110 G122 I123 I320 H322R17-T113 WeakPolarHBondContact CD-OG1 3.47Å; R17-T113 PolarHBondContact NH1-OG1 2.84Å; V80-T113 HydrophobicContact CG1-CG2 4.11Å; G109-T113 PolarHBondContact O-N 3.13Å; K110-T113 PolarHBondContact O-N 2.75Å; K110-T113 VanDerWaalsContact O-N 3.15Å; T113-G122 CarbonylContact O-C 3.58Å; T113-G122 VanDerWaalsContact O-CA 3.31Å; T113-G122 WeakPolarHBondContact O-CA 3.46Å; T113-I123 HydrophobicContact CG2-CG1 3.91Å; T113-I123 WeakPolarHBondContact O-CG1 3.41Å; T113-I123 PolarHBondContact O-N 3Å; T113-I320 HydrophobicContact CG2-CD1 3.96Å; T113-I320 HydrophobicContact CG2-CG2 4.39Å; T113-H322 WeakPolarHBondContact CB-NE2 3.45Å; T113-H322 PolarHBondContact OG1-NE2 2.87Å
114M94.1Very high90.9Very high0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-72.6-52-174-63.6-55.1-62.500113.3A102 K110 T111 G122 I123 Y124 M248 D250A102-M114 HydrophobicContact CB-CG 3.53Å; A102-M114 HydrophobicContact CB-SD 3.82Å; K110-M114 WeakPolarHBondContact O-CG 3.31Å; K110-M114 PolarHBondContact O-N 3.2Å; T111-M114 PolarHBondContact O-N 2.73Å; M114-G122 CarbonylContact O-C 3.55Å; M114-I123 HydrophobicContact CE-CG2 4.42Å; M114-I123 PolarHBondContact O-N 3.2Å; M114-I123 VanDerWaalsContact O-N 3.13Å; M114-I123 HydrophobicContact SD-CB 4.42Å; M114-Y124 HydrophobicContact CB-CD2 4.43Å; M114-Y124 HydrophobicContact CB-CE1 4.27Å; M114-Y124 HydrophobicContact CB-CE2 3.95Å; M114-Y124 HydrophobicContact CE-CD1 4.01Å; M114-Y124 HydrophobicContact CE-CE1 3.52Å; M114-Y124 WeakPolarHBondContact O-CB 3.36Å; M114-Y124 VanDerWaalsContact O-CD2 3.22Å; M114-Y124 WeakPolarHBondContact O-CD2 3.34Å; M114-Y124 PolarHBondContact O-N 2.83Å; M114-M248 HydrophobicContact CE-CB 3.87Å; M114-D250 HydrophobicContact CB-CB 4.27Å; M114-D250 HydrophobicContact CG-CB 4.11Å
115L90.1Very high90.8Very high49 Ų4943 Ų4326%0.25724%0.24SC..THydrogen-bonded Turntrans-95.3-46.3-179179.860.1000112.3T111 G122 Y124 L199 N203T111-L115 HydrophobicContact CG2-CB 4.3Å; T111-L115 WeakPolarHBondContact O-CA 3.42Å; T111-L115 WeakPolarHBondContact O-CB 3.46Å; T111-L115 PolarHBondContact O-N 3.41Å; L115-G122 PolarHBondContact O-N 2.82Å; L115-Y124 HydrophobicContact CB-CD2 4.07Å; L115-Y124 HydrophobicContact CB-CE2 4.2Å; L115-Y124 HydrophobicContact CD1-CD2 4.13Å; L115-L199 HydrophobicContact CD1-CD2 4.38Å; L115-N203 WeakPolarHBondContact CD1-ND2 3.34Å
116G90.2Very high91Very high16 Ų1645 Ų4517%0.16525%0.247CC..BIsolated β-bridgetrans79.2-152-173.900000113.4T111 Y112 E120T111-G116 PolarHBondContact O-N 3.49Å; Y112-G116 WeakPolarHBondContact O-CA 3.46Å; Y112-G116 PolarHBondContact O-N 3.42Å; G116-E120 WeakPolarHBondContact CA-O 3.37Å
117T87.8Confident91.3Very high64 Ų6443.1 Ų43.139%0.39324%0.235SC..  trans-125.8168.3172.572.10000109.7Y112 K119 E120 P121Y112-T117 HydrophobicContact CD2-CG2 4.25Å; Y112-T117 HydrophobicContact CE2-CG2 4.25Å; T117-K119 PolarHBondContact O-N 3.48Å; T117-K119 VanDerWaalsContact O-N 3.15Å; T117-K119 PolarHBondContact OG1-N 3.45Å; T117-E120 PolarHBondContact N-O 2.96Å; T117-E120 CarbonylContact O-C 3.59Å; T117-E120 PolarHBondContact O-N 2.9Å; T117-E120 PolarHBondContact OG1-N 3.1Å; T117-P121 WeakPolarHBondContact O-CA 3.37Å; T117-P121 VanDerWaalsContact O-N 3.11Å
118D83.9Confident91.6Very high171 Ų17140.8 Ų40.891%0.91421%0.211SC*.SBendtrans-60-26.9179.1-46.6-42.4000113
119K89.4Confident91.6Very high198 Ų19843.9 Ų43.986%0.86123%0.227SC*.SBendtrans-86.3-33.5174-63.6-178.5-178.9178.10112.6T117 P121T117-K119 PolarHBondContact O-N 3.48Å; T117-K119 VanDerWaalsContact O-N 3.15Å; T117-K119 PolarHBondContact OG1-N 3.45Å; K119-P121 VanDerWaalsContact C-CD 3.43Å; K119-P121 WeakPolarHBondContact O-CD 3.45Å
120E90.9Very high91.8Very high89 Ų8944 Ų4442%0.41622%0.223SC..SBendtrans-126.169.2-173.7-61.4-165.9120.700110.8Q77 Y112 G116 T117Q77-E120 HydrophobicContact CG-CB 3.95Å; Q77-E120 PolarHBondContact NE2-O 2.93Å; Y112-E120 PolarHBondContact OH-OE2 3.09Å; G116-E120 WeakPolarHBondContact CA-O 3.37Å; T117-E120 PolarHBondContact N-O 2.96Å; T117-E120 CarbonylContact O-C 3.59Å; T117-E120 PolarHBondContact O-N 2.9Å; T117-E120 PolarHBondContact OG1-N 3.1Å
121P91.8Very high91.8Very high36 Ų3643.5 Ų43.523%0.23422%0.221CC..BIsolated β-bridgetrans-61.6139.7-17519-30000111.7Q77 T117 K119 V125 R126Q77-P121 WeakPolarHBondContact CB-O 3.44Å; T117-P121 WeakPolarHBondContact O-CA 3.37Å; T117-P121 VanDerWaalsContact O-N 3.11Å; K119-P121 VanDerWaalsContact C-CD 3.43Å; K119-P121 WeakPolarHBondContact O-CD 3.45Å; P121-V125 HydrophobicContact CB-CB 3.75Å; P121-V125 HydrophobicContact CB-CG1 3.72Å; P121-V125 HydrophobicContact CB-CG2 3.95Å; P121-V125 HydrophobicContact CG-CG1 4.47Å; P121-R126 VanDerWaalsContact O-CZ 3.29Å; P121-R126 PolarHBondContact O-NE 2.95Å; P121-R126 PolarHBondContact O-NH2 2.89Å
122G94.2Very high91.8Very high0 Ų042 Ų420%021%0.211CC..  trans-89.7-163.8-176.100000114.6T113 M114 L115 Y124 V125 R126T113-G122 CarbonylContact O-C 3.58Å; T113-G122 VanDerWaalsContact O-CA 3.31Å; T113-G122 WeakPolarHBondContact O-CA 3.46Å; M114-G122 CarbonylContact O-C 3.55Å; L115-G122 PolarHBondContact O-N 2.82Å; G122-Y124 PolarHBondContact O-N 2.74Å; G122-V125 PolarHBondContact O-N 3.05Å; G122-R126 PolarHBondContact O-N 2.9Å
123I95.4Very high91.8Very high2 Ų242.9 Ų42.91%0.0121%0.214CC..Hα-helixtrans-54.4-45.3-176.5-63.9-58.8000112.4Y81 T85 T113 M114 V125 T127 M248 I320Y81-I123 HydrophobicContact CD2-CD1 4.21Å; T85-I123 HydrophobicContact CG2-CG2 4Å; T113-I123 HydrophobicContact CG2-CG1 3.91Å; T113-I123 WeakPolarHBondContact O-CG1 3.41Å; T113-I123 PolarHBondContact O-N 3Å; M114-I123 HydrophobicContact CE-CG2 4.42Å; M114-I123 PolarHBondContact O-N 3.2Å; M114-I123 VanDerWaalsContact O-N 3.13Å; M114-I123 HydrophobicContact SD-CB 4.42Å; I123-V125 PolarHBondContact O-N 3.32Å; I123-T127 WeakPolarHBondContact O-CB 3.32Å; I123-T127 PolarHBondContact O-N 3.37Å; I123-T127 PolarHBondContact O-OG1 3.27Å; I123-M248 HydrophobicContact CG2-SD 4.29Å; I123-I320 HydrophobicContact CG1-CD1 4.37Å
124Y92.5Very high91.5Very high2 Ų243.5 Ų43.51%0.00822%0.219CC..Hα-helixtrans-53.2-56.4-178.6-64.2-37.9000110.8M114 L115 G122 L128 L199 L224 M248M114-Y124 HydrophobicContact CB-CD2 4.43Å; M114-Y124 HydrophobicContact CB-CE1 4.27Å; M114-Y124 HydrophobicContact CB-CE2 3.95Å; M114-Y124 HydrophobicContact CE-CD1 4.01Å; M114-Y124 HydrophobicContact CE-CE1 3.52Å; M114-Y124 WeakPolarHBondContact O-CB 3.36Å; M114-Y124 VanDerWaalsContact O-CD2 3.22Å; M114-Y124 WeakPolarHBondContact O-CD2 3.34Å; M114-Y124 PolarHBondContact O-N 2.83Å; L115-Y124 HydrophobicContact CB-CD2 4.07Å; L115-Y124 HydrophobicContact CB-CE2 4.2Å; L115-Y124 HydrophobicContact CD1-CD2 4.13Å; G122-Y124 PolarHBondContact O-N 2.74Å; Y124-L128 WeakPolarHBondContact O-CB 3.45Å; Y124-L128 WeakPolarHBondContact O-CD1 3.39Å; Y124-L128 WeakPolarHBondContact O-CG 3.44Å; Y124-L128 PolarHBondContact O-N 3Å; Y124-L128 VanDerWaalsContact O-N 3.08Å; Y124-L199 HydrophobicContact CD2-CD1 4.11Å; Y124-L199 HydrophobicContact CD2-CD2 4.16Å; Y124-L199 HydrophobicContact CE2-CD1 4.43Å; Y124-L199 HydrophobicContact CG-CD2 4.26Å; Y124-L224 HydrophobicContact CD1-CB 4.42Å; Y124-L224 HydrophobicContact CD1-CD2 3.7Å; Y124-L224 HydrophobicContact CE1-CB 4Å; Y124-L224 HydrophobicContact CE1-CD2 4.12Å; Y124-L224 HydrophobicContact CG-CD2 4.07Å; Y124-M248 HydrophobicContact CD1-CB 3.66Å; Y124-M248 HydrophobicContact CD1-CE 4.3Å; Y124-M248 HydrophobicContact CD1-CG 4.46Å; Y124-M248 HydrophobicContact CD1-SD 4.04Å; Y124-M248 HydrophobicContact CE1-CB 3.53Å
125V90.6Very high91.4Very high21 Ų2144.2 Ų44.213%0.12722%0.223CC..Hα-helixtrans-63.2-48.7-174.4179.60000111.6P121 G122 I123 L128 N129 M196P121-V125 HydrophobicContact CB-CB 3.75Å; P121-V125 HydrophobicContact CB-CG1 3.72Å; P121-V125 HydrophobicContact CB-CG2 3.95Å; P121-V125 HydrophobicContact CG-CG1 4.47Å; G122-V125 PolarHBondContact O-N 3.05Å; I123-V125 PolarHBondContact O-N 3.32Å; V125-L128 PolarHBondContact O-N 2.97Å; V125-N129 VanDerWaalsContact O-CG 3.26Å; V125-N129 PolarHBondContact O-N 2.61Å; V125-N129 PolarHBondContact O-OD1 3.2Å; V125-M196 HydrophobicContact CB-CE 4.1Å; V125-M196 HydrophobicContact CG1-CE 3.75Å; V125-M196 HydrophobicContact CG1-SD 4.31Å; V125-M196 HydrophobicContact CG2-CE 3.98Å; V125-M196 HydrophobicContact CG2-SD 3.8Å
126R93.7Very high91.3Very high52 Ų5247.7 Ų47.720%0.19624%0.238CC..Hα-helixtrans-65.7-41.9-177.2-64.6178-168.5-83.2-12.9111.9E78 Y81 P121 G122 L128 N129 D130E78-R126 WeakPolarHBondContact OE2-CD 3.47Å; E78-R126 IonicContact OE2-CZ 3.15Å; E78-R126 IonicContact OE2-NE 2.72Å; E78-R126 IonicContact OE2-NH1 3.48Å; E78-R126 PolarHBondContact OE2-NH1 3.46Å; Y81-R126 HydrophobicContact CD1-CB 3.67Å; Y81-R126 HydrophobicContact CD1-CG 4.31Å; Y81-R126 HydrophobicContact CD2-CB 3.71Å; Y81-R126 HydrophobicContact CE1-CB 3.92Å; Y81-R126 HydrophobicContact CE2-CB 3.98Å; Y81-R126 HydrophobicContact CG-CB 3.58Å; Y81-R126 HydrophobicContact CG-CG 4.29Å; P121-R126 VanDerWaalsContact O-CZ 3.29Å; P121-R126 PolarHBondContact O-NE 2.95Å; P121-R126 PolarHBondContact O-NH2 2.89Å; G122-R126 PolarHBondContact O-N 2.9Å; R126-L128 PolarHBondContact O-N 3.43Å; R126-N129 PolarHBondContact O-N 3.32Å; R126-D130 WeakPolarHBondContact O-CB 3.48Å; R126-D130 PolarHBondContact O-N 3.4Å
127T94.5Very high91.3Very high1 Ų153.4 Ų53.41%0.00626%0.26CS..Hα-helixtrans-66.1-38.9179.4-51.50000111.7Y81 T85 I89 I123 L131 L246 M248Y81-T127 WeakPolarHBondContact CE2-OG1 3.38Å; T85-T127 HydrophobicContact CG2-CG2 3.68Å; T85-T127 WeakPolarHBondContact CG2-OG1 3.49Å; I89-T127 HydrophobicContact CD1-CG2 4.08Å; I89-T127 HydrophobicContact CG1-CG2 4.15Å; I123-T127 WeakPolarHBondContact O-CB 3.32Å; I123-T127 PolarHBondContact O-N 3.37Å; I123-T127 PolarHBondContact O-OG1 3.27Å; T127-L131 WeakPolarHBondContact O-CB 3.46Å; T127-L131 PolarHBondContact O-N 3.02Å; T127-L246 HydrophobicContact CG2-CD2 3.75Å; T127-M248 HydrophobicContact CG2-SD 4.01Å
128L91.8Very high91.2Very high0 Ų052.8 Ų52.80%026%0.256CS..Hα-helixtrans-68.3-45.5177.5-70.7168.1000112Y124 V125 R126 L131 F132 I195 L199 L224 V226 M248Y124-L128 WeakPolarHBondContact O-CB 3.45Å; Y124-L128 WeakPolarHBondContact O-CD1 3.39Å; Y124-L128 WeakPolarHBondContact O-CG 3.44Å; Y124-L128 PolarHBondContact O-N 3Å; Y124-L128 VanDerWaalsContact O-N 3.08Å; V125-L128 PolarHBondContact O-N 2.97Å; R126-L128 PolarHBondContact O-N 3.43Å; L128-L131 PolarHBondContact O-N 3.18Å; L128-F132 WeakPolarHBondContact O-CD2 3.41Å; L128-F132 PolarHBondContact O-N 3.4Å; L128-I195 HydrophobicContact CD1-CB 4.43Å; L128-I195 HydrophobicContact CD1-CG2 3.43Å; L128-I195 VanDerWaalsContact CD1-CG2 3.43Å; L128-I195 HydrophobicContact CD2-CD1 4.09Å; L128-I195 HydrophobicContact CD2-CG2 3.77Å; L128-I195 HydrophobicContact CG-CG2 4.18Å; L128-L199 HydrophobicContact CD1-CD2 4.49Å; L128-L224 HydrophobicContact CD1-CD2 4.49Å; L128-V226 HydrophobicContact CD2-CG2 3.83Å; L128-M248 HydrophobicContact CD2-CE 4.41Å; L128-M248 HydrophobicContact CG-CE 4.39Å
129N91Very high91.2Very high71 Ų7146.5 Ų46.538%0.3823%0.225SC..Hα-helixtrans-63.6-44178.4-68.8-3.5000111.9V125 R126 L131 R133V125-N129 VanDerWaalsContact O-CG 3.26Å; V125-N129 PolarHBondContact O-N 2.61Å; V125-N129 PolarHBondContact O-OD1 3.2Å; R126-N129 PolarHBondContact O-N 3.32Å; N129-L131 VanDerWaalsContact C-N 3.35Å; N129-R133 WeakPolarHBondContact O-CB 3.4Å; N129-R133 PolarHBondContact O-N 2.92Å; N129-R133 VanDerWaalsContact O-N 3.08Å
130D93.3Very high90.9Very high21 Ų2143.5 Ų43.511%0.11222%0.219CC..Hα-helixtrans-68.8-31.6175.4-8718.5000112.4Y81 K86 I89 R126 R133 A134Y81-D130 WeakPolarHBondContact OH-CB 3.37Å; Y81-D130 PolarHBondContact OH-OD2 2.85Å; K86-D130 WeakPolarHBondContact CE-OD2 3.25Å; K86-D130 IonicContact NZ-OD2 3.28Å; K86-D130 PolarHBondContact NZ-OD2 2.87Å; I89-D130 HydrophobicContact CD1-CB 3.46Å; I89-D130 VanDerWaalsContact CD1-CB 3.46Å; R126-D130 WeakPolarHBondContact O-CB 3.48Å; R126-D130 PolarHBondContact O-N 3.4Å; D130-R133 IonicContact OD1-CZ 2.72Å; D130-R133 VanDerWaalsContact OD1-CZ 3.24Å; D130-R133 IonicContact OD1-NH1 3.2Å; D130-R133 PolarHBondContact OD1-NH1 3.32Å; D130-R133 IonicContact OD1-NH2 2.99Å; D130-R133 PolarHBondContact OD1-NH2 3.33Å; D130-R133 IonicContact OD2-NH2 3.77Å; D130-R133 PolarHBondContact OD2-NH2 3.22Å; D130-A134 WeakPolarHBondContact O-CB 3.36Å; D130-A134 PolarHBondContact O-N 3.29Å
131L93.3Very high90.4Very high0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-66.6-48.6174.8173.860.3000112I89 L92 I93 T127 L128 N129 R133 A134 I135 V226 V228I89-L131 HydrophobicContact CG2-CB 4.32Å; I89-L131 HydrophobicContact CG2-CD1 4.14Å; L92-L131 HydrophobicContact CD2-CD1 3.91Å; L92-L131 HydrophobicContact CD2-CD2 3.84Å; I93-L131 HydrophobicContact CG2-CD1 3.72Å; T127-L131 WeakPolarHBondContact O-CB 3.46Å; T127-L131 PolarHBondContact O-N 3.02Å; L128-L131 PolarHBondContact O-N 3.18Å; N129-L131 VanDerWaalsContact C-N 3.35Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-A134 PolarHBondContact O-N 3.35Å; L131-I135 HydrophobicContact CD1-CD1 3.96Å; L131-I135 HydrophobicContact CD1-CG1 4.32Å; L131-I135 HydrophobicContact CG-CD1 4.07Å; L131-I135 WeakPolarHBondContact O-CB 3.48Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 3.08Å; L131-V226 HydrophobicContact CD2-CG1 4.1Å; L131-V228 HydrophobicContact CD1-CG2 4.33Å; L131-V228 HydrophobicContact CD2-CG2 4Å
132F91.2Very high90Very high9 Ų944.9 Ų44.94%0.03923%0.227CC..Hα-helixtrans-64.2-40177-82-72000111.7L128 A134 I135 E136 V146 N191 A192 I195L128-F132 WeakPolarHBondContact O-CD2 3.41Å; L128-F132 PolarHBondContact O-N 3.4Å; F132-A134 PolarHBondContact O-N 3.17Å; F132-I135 WeakPolarHBondContact O-CB 3.5Å; F132-I135 PolarHBondContact O-N 3.47Å; F132-I135 VanDerWaalsContact O-N 3.16Å; F132-E136 WeakPolarHBondContact O-CG 3.5Å; F132-E136 PolarHBondContact O-N 3.21Å; F132-V146 HydrophobicContact CE1-CG2 4.34Å; F132-V146 HydrophobicContact CZ-CG1 4.31Å; F132-N191 WeakPolarHBondContact CE2-O 3.27Å; F132-N191 VanDerWaalsContact CZ-C 3.47Å; F132-N191 VanDerWaalsContact CZ-O 3.3Å; F132-N191 WeakPolarHBondContact CZ-O 3.33Å; F132-A192 HydrophobicContact CB-CB 4.28Å; F132-A192 VanDerWaalsContact CD2-CA 3.41Å; F132-A192 HydrophobicContact CD2-CB 3.61Å; F132-A192 HydrophobicContact CE2-CB 4.24Å; F132-A192 HydrophobicContact CG-CB 4.16Å; F132-I195 HydrophobicContact CE2-CB 4.43Å; F132-I195 HydrophobicContact CE2-CD1 3.57Å; F132-I195 HydrophobicContact CE2-CG1 3.88Å; F132-I195 HydrophobicContact CZ-CD1 3.67Å; F132-I195 HydrophobicContact CZ-CG1 4.01Å
133R91.3Very high89.5Confident98 Ų9849.1 Ų49.137%0.3725%0.248SC..Hα-helixtrans-62.8-42.6174.9-165.1-175.860-103.9-2.9112.3N129 D130 L131 I135 E136 E137N129-R133 WeakPolarHBondContact O-CB 3.4Å; N129-R133 PolarHBondContact O-N 2.92Å; N129-R133 VanDerWaalsContact O-N 3.08Å; D130-R133 IonicContact OD1-CZ 2.72Å; D130-R133 VanDerWaalsContact OD1-CZ 3.24Å; D130-R133 IonicContact OD1-NH1 3.2Å; D130-R133 PolarHBondContact OD1-NH1 3.32Å; D130-R133 IonicContact OD1-NH2 2.99Å; D130-R133 PolarHBondContact OD1-NH2 3.33Å; D130-R133 IonicContact OD2-NH2 3.77Å; D130-R133 PolarHBondContact OD2-NH2 3.22Å; L131-R133 VanDerWaalsContact C-N 3.34Å; R133-I135 VanDerWaalsContact C-N 3.27Å; R133-I135 PolarHBondContact O-N 3.33Å; R133-E136 PolarHBondContact O-N 3.46Å; R133-E137 WeakPolarHBondContact CD-OE1 3.48Å; R133-E137 HydrophobicContact CG-CG 4.37Å; R133-E137 WeakPolarHBondContact CG-OE1 3.34Å; R133-E137 IonicContact NE-OE1 3.57Å; R133-E137 PolarHBondContact NE-OE1 3.48Å; R133-E137 WeakPolarHBondContact O-CB 3.23Å; R133-E137 VanDerWaalsContact O-CG 3.22Å; R133-E137 WeakPolarHBondContact O-CG 3.36Å; R133-E137 PolarHBondContact O-N 2.82Å
134A91.4Very high89.2Confident13 Ų1351 Ų5111%0.10726%0.256CS..Hα-helixtrans-66.5-28.9175.400000113I89 I93 D130 L131 F132 T138I89-A134 HydrophobicContact CG2-CB 4.11Å; I93-A134 HydrophobicContact CD1-CB 4.26Å; D130-A134 WeakPolarHBondContact O-CB 3.36Å; D130-A134 PolarHBondContact O-N 3.29Å; L131-A134 PolarHBondContact O-N 3.35Å; F132-A134 PolarHBondContact O-N 3.17Å; A134-T138 PolarHBondContact O-N 3.02Å; A134-T138 PolarHBondContact O-OG1 3.25Å
135I90.4Very high89.1Confident16 Ų1654.2 Ų54.28%0.08228%0.279CS..Hα-helixtrans-68.8-44.5171.1-79172.2000110.8I93 L131 F132 R133 T138 S139 Y144 V146 V228I93-I135 HydrophobicContact CG2-CG1 4.16Å; L131-I135 HydrophobicContact CD1-CD1 3.96Å; L131-I135 HydrophobicContact CD1-CG1 4.32Å; L131-I135 HydrophobicContact CG-CD1 4.07Å; L131-I135 WeakPolarHBondContact O-CB 3.48Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 3.08Å; F132-I135 WeakPolarHBondContact O-CB 3.5Å; F132-I135 PolarHBondContact O-N 3.47Å; F132-I135 VanDerWaalsContact O-N 3.16Å; R133-I135 VanDerWaalsContact C-N 3.27Å; R133-I135 PolarHBondContact O-N 3.33Å; I135-T138 CarbonylContact O-C 3.57Å; I135-T138 PolarHBondContact O-N 3.09Å; I135-S139 WeakPolarHBondContact O-CA 3.43Å; I135-S139 VanDerWaalsContact O-CB 3.29Å; I135-S139 WeakPolarHBondContact O-CB 3.42Å; I135-S139 PolarHBondContact O-N 3.41Å; I135-Y144 HydrophobicContact CB-CD2 4.2Å; I135-Y144 HydrophobicContact CB-CE2 4.39Å; I135-Y144 HydrophobicContact CB-CG 4.37Å; I135-Y144 HydrophobicContact CD1-CD1 4.34Å; I135-Y144 HydrophobicContact CD1-CG 4.4Å; I135-Y144 HydrophobicContact CG1-CD1 3.94Å; I135-Y144 HydrophobicContact CG1-CD2 4.2Å; I135-Y144 HydrophobicContact CG1-CE1 4.12Å; I135-Y144 HydrophobicContact CG1-CE2 4.34Å; I135-Y144 HydrophobicContact CG1-CG 3.96Å; I135-Y144 HydrophobicContact CG2-CD2 3.66Å; I135-Y144 HydrophobicContact CG2-CE2 4.29Å; I135-Y144 HydrophobicContact CG2-CG 3.84Å; I135-V146 HydrophobicContact CD1-CG2 3.61Å; I135-V228 HydrophobicContact CD1-CG1 4.38Å
136E89.6Confident89.2Confident122 Ų12253.6 Ų53.657%0.5728%0.275SS*.Hα-helixtrans-63.7-49.8175.6-72.2167.5-173.300111.6F132 R133 T138 S139F132-E136 WeakPolarHBondContact O-CG 3.5Å; F132-E136 PolarHBondContact O-N 3.21Å; R133-E136 PolarHBondContact O-N 3.46Å; E136-T138 PolarHBondContact O-N 2.93Å; E136-T138 VanDerWaalsContact O-N 3.09Å; E136-S139 VanDerWaalsContact O-CB 3.31Å; E136-S139 WeakPolarHBondContact O-CB 3.08Å; E136-S139 PolarHBondContact O-N 3.47Å; E136-S139 PolarHBondContact O-OG 3.14Å
137E89.6Confident89.1Confident136 Ų13652.1 Ų52.164%0.63627%0.272SS*.Hα-helixtrans-56-24176.9-75.1168-167.400113.5R133R133-E137 WeakPolarHBondContact CD-OE1 3.48Å; R133-E137 HydrophobicContact CG-CG 4.37Å; R133-E137 WeakPolarHBondContact CG-OE1 3.34Å; R133-E137 IonicContact NE-OE1 3.57Å; R133-E137 PolarHBondContact NE-OE1 3.48Å; R133-E137 WeakPolarHBondContact O-CB 3.23Å; R133-E137 VanDerWaalsContact O-CG 3.22Å; R133-E137 WeakPolarHBondContact O-CG 3.36Å; R133-E137 PolarHBondContact O-N 2.82Å
138T85.8Confident89.1Confident50 Ų5052 Ų5231%0.30727%0.272SS..THydrogen-bonded Turntrans-116.912178.458.90000113.2A134 I135 E136 D140 M142 Y144A134-T138 PolarHBondContact O-N 3.02Å; A134-T138 PolarHBondContact O-OG1 3.25Å; I135-T138 CarbonylContact O-C 3.57Å; I135-T138 PolarHBondContact O-N 3.09Å; E136-T138 PolarHBondContact O-N 2.93Å; E136-T138 VanDerWaalsContact O-N 3.09Å; T138-D140 VanDerWaalsContact C-N 3.33Å; T138-D140 PolarHBondContact O-N 3.22Å; T138-M142 PolarHBondContact O-N 2.84Å; T138-Y144 WeakPolarHBondContact OG1-CE2 3.28Å; T138-Y144 PolarHBondContact OG1-OH 3.35Å
139S83.9Confident89.1Confident39 Ų3952.1 Ų52.127%0.27327%0.273SS..THydrogen-bonded Turntrans-71.5-24.6-173.665.60000113.1I135 E136 D141 M142 R233I135-S139 WeakPolarHBondContact O-CA 3.43Å; I135-S139 VanDerWaalsContact O-CB 3.29Å; I135-S139 WeakPolarHBondContact O-CB 3.42Å; I135-S139 PolarHBondContact O-N 3.41Å; E136-S139 VanDerWaalsContact O-CB 3.31Å; E136-S139 WeakPolarHBondContact O-CB 3.08Å; E136-S139 PolarHBondContact O-N 3.47Å; E136-S139 PolarHBondContact O-OG 3.14Å; S139-D141 PolarHBondContact O-N 3.48Å; S139-M142 PolarHBondContact O-N 3.11Å; S139-R233 PolarHBondContact O-NE 3.02Å; S139-R233 PolarHBondContact O-NH1 3.3Å; S139-R233 PolarHBondContact O-NH2 3.01Å
140D82.6Confident89.3Confident136 Ų13648.8 Ų48.873%0.72726%0.255SS*.THydrogen-bonded Turntrans-64.7-35.4-176.9-80.7-35.7000113.9T138 R233T138-D140 VanDerWaalsContact C-N 3.33Å; T138-D140 PolarHBondContact O-N 3.22Å; D140-R233 WeakPolarHBondContact O-CD 3.5Å; D140-R233 PolarHBondContact O-NH1 3.49Å
141D79.6Confident89.3Confident113 Ų11348 Ų4860%0.60425%0.25SS*.THydrogen-bonded Turntrans-92.3-22.3178.6-70.7-41.9000113.8S139 R233S139-D141 PolarHBondContact O-N 3.48Å; D141-R233 WeakPolarHBondContact O-CB 3.48Å; D141-R233 PolarHBondContact O-N 2.79Å
142M83.4Confident89.2Confident41 Ų4148.3 Ų48.320%0.20225%0.252CS..EExtended strand (participates in β ladder)trans-126.8145.4-166.2-60.7-68.6161.600112.9T138 S139 Y144 Q230 R233T138-M142 PolarHBondContact O-N 2.84Å; S139-M142 PolarHBondContact O-N 3.11Å; M142-Y144 HydrophobicContact CB-CD2 4.2Å; M142-Y144 HydrophobicContact CB-CE2 3.68Å; M142-Q230 HydrophobicContact CB-CG 4.12Å; M142-Q230 HydrophobicContact CG-CG 4.09Å; M142-Q230 HydrophobicContact SD-CG 3.89Å; M142-R233 PolarHBondContact O-NE 3.4Å
143L85.1Confident89.2Confident88 Ų8848 Ų4846%0.46125%0.251SS..EExtended strand (participates in β ladder)trans-96.1128.6163.5-61.9178000108.4Q230 Q231 R233L143-Q230 CarbonylContact O-C 3.51Å; L143-Q230 WeakPolarHBondContact O-CA 3.48Å; L143-Q231 PolarHBondContact N-O 3.41Å; L143-Q231 PolarHBondContact O-N 2.95Å; L143-R233 HydrophobicContact CD2-CG 3.8Å; L143-R233 HydrophobicContact CG-CG 3.68Å
144Y88.6Confident88.9Confident43 Ų4345.1 Ų45.117%0.16924%0.24CC..EExtended strand (participates in β ladder)trans-112.5146.2174.2-68.7-81.3000110.9I93 I135 T138 M142 V228 K229 Q230I93-Y144 HydrophobicContact CB-CE1 4.2Å; I93-Y144 HydrophobicContact CG2-CE1 4.44Å; I135-Y144 HydrophobicContact CB-CD2 4.2Å; I135-Y144 HydrophobicContact CB-CE2 4.39Å; I135-Y144 HydrophobicContact CB-CG 4.37Å; I135-Y144 HydrophobicContact CD1-CD1 4.34Å; I135-Y144 HydrophobicContact CD1-CG 4.4Å; I135-Y144 HydrophobicContact CG1-CD1 3.94Å; I135-Y144 HydrophobicContact CG1-CD2 4.2Å; I135-Y144 HydrophobicContact CG1-CE1 4.12Å; I135-Y144 HydrophobicContact CG1-CE2 4.34Å; I135-Y144 HydrophobicContact CG1-CG 3.96Å; I135-Y144 HydrophobicContact CG2-CD2 3.66Å; I135-Y144 HydrophobicContact CG2-CE2 4.29Å; I135-Y144 HydrophobicContact CG2-CG 3.84Å; T138-Y144 WeakPolarHBondContact OG1-CE2 3.28Å; T138-Y144 PolarHBondContact OG1-OH 3.35Å; M142-Y144 HydrophobicContact CB-CD2 4.2Å; M142-Y144 HydrophobicContact CB-CE2 3.68Å; Y144-V228 HydrophobicContact CD1-CG1 4.16Å; Y144-K229 CarbonylContact C-O 3.59Å; Y144-K229 WeakPolarHBondContact CA-O 3.48Å; Y144-Q230 HydrophobicContact CD1-CB 3.91Å; Y144-Q230 HydrophobicContact CD1-CG 4.15Å; Y144-Q230 HydrophobicContact CE1-CB 3.66Å; Y144-Q230 HydrophobicContact CE1-CG 3.59Å; Y144-Q230 PolarHBondContact OH-NE2 3.46Å
145S89.9Confident88.5Confident69 Ų6947.4 Ų47.448%0.48325%0.25SS..EExtended strand (participates in β ladder)trans-135.5122.3167.5178.80000107.8K229S145-K229 PolarHBondContact N-O 3.43Å; S145-K229 PolarHBondContact O-N 3.48Å
146V92.5Very high88.3Confident7 Ų747.5 Ų47.54%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-113.7129.9-177.4-176.10000108.7F132 I135 S188 T189 I195 V226 A227F132-V146 HydrophobicContact CE1-CG2 4.34Å; F132-V146 HydrophobicContact CZ-CG1 4.31Å; I135-V146 HydrophobicContact CD1-CG2 3.61Å; V146-S188 WeakPolarHBondContact O-CA 3.22Å; V146-T189 PolarHBondContact O-N 3.5Å; V146-T189 VanDerWaalsContact O-N 3.07Å; V146-I195 HydrophobicContact CG1-CD1 4.09Å; V146-V226 HydrophobicContact CG1-CG1 3.6Å; V146-A227 WeakPolarHBondContact CA-O 3.38Å
147S92.8Very high88.2Confident21 Ų2144.9 Ų44.915%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-125147.416865.60000111.7V187 V226 A227S147-V187 CarbonylContact C-O 3.6Å; S147-V187 VanDerWaalsContact CA-O 3.25Å; S147-V187 WeakPolarHBondContact CA-O 3.31Å; S147-V226 CarbonylContact O-C 3.6Å; S147-V226 WeakPolarHBondContact O-CA 3.4Å; S147-A227 PolarHBondContact N-O 2.93Å; S147-A227 PolarHBondContact O-N 3.49Å
148M93.1Very high88.3Confident0 Ų038.4 Ų38.40%021%0.209CC..EExtended strand (participates in β ladder)trans-117.6136.9-178.3-173.5-152.9-175.400109.9L162 V187 I195 L198 L199 L224 Q225M148-L162 HydrophobicContact SD-CD1 4.45Å; M148-V187 PolarHBondContact N-O 3.27Å; M148-V187 PolarHBondContact O-N 2.83Å; M148-I195 HydrophobicContact CB-CD1 4.35Å; M148-I195 HydrophobicContact CE-CG2 3.95Å; M148-I195 HydrophobicContact CG-CG2 4.24Å; M148-I195 HydrophobicContact SD-CB 4.48Å; M148-I195 HydrophobicContact SD-CG2 3.78Å; M148-L198 HydrophobicContact CE-CB 3.95Å; M148-L198 HydrophobicContact SD-CB 3.39Å; M148-L198 WeakPolarHBondContact SD-CB 3.04Å; M148-L198 HydrophobicContact SD-CD1 3.69Å; M148-L198 HydrophobicContact SD-CG 4.19Å; M148-L199 HydrophobicContact CE-CB 4.02Å; M148-L224 HydrophobicContact CE-CD1 3.37Å; M148-L224 HydrophobicContact CG-CD1 3.8Å; M148-L224 HydrophobicContact SD-CD1 4.43Å; M148-Q225 WeakPolarHBondContact CA-O 3.35Å
149S93.6Very high88.5Confident2 Ų239.3 Ų39.31%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-129.5140.1163.3-62.80000108.9T185 E186 Q225S149-T185 WeakPolarHBondContact CB-O 2.96Å; S149-T185 PolarHBondContact OG-O 3Å; S149-E186 WeakPolarHBondContact OG-CA 3.4Å; S149-E186 WeakPolarHBondContact OG-CG 3.45Å; S149-Q225 PolarHBondContact N-O 3.22Å; S149-Q225 PolarHBondContact O-N 2.87Å
150Y94Very high88.9Confident0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-129.3127.3174.6-165-156.7000109.2L161 L199 N203 A222 V223 L224Y150-L161 HydrophobicContact CD1-CB 3.98Å; Y150-L161 HydrophobicContact CD1-CD1 3.89Å; Y150-L161 HydrophobicContact CD2-CD1 4.13Å; Y150-L161 HydrophobicContact CE1-CD1 3.86Å; Y150-L161 HydrophobicContact CE2-CD1 4.13Å; Y150-L161 HydrophobicContact CG-CB 4.16Å; Y150-L161 HydrophobicContact CG-CD1 4.01Å; Y150-L161 WeakPolarHBondContact O-CB 3.26Å; Y150-L161 PolarHBondContact O-N 3.27Å; Y150-L199 HydrophobicContact CD1-CD1 4.32Å; Y150-L199 HydrophobicContact CE1-CD1 3.81Å; Y150-N203 WeakPolarHBondContact CE1-OD1 3.29Å; Y150-N203 PolarHBondContact OH-OD1 3.33Å; Y150-A222 HydrophobicContact CE2-CB 3.87Å; Y150-V223 WeakPolarHBondContact CD2-O 3.39Å; Y150-L224 HydrophobicContact CD2-CB 3.86Å; Y150-L224 HydrophobicContact CD2-CD1 4.33Å; Y150-L224 HydrophobicContact CE2-CB 4Å; Y150-L224 HydrophobicContact CG-CD1 4.46Å
151L93.3Very high89.3Confident4 Ų431.4 Ų31.42%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-137.5156-175.267.482.4000112.6I153 I158 R159 V181 I184 A222 V223L151-I153 HydrophobicContact CD1-CD1 4.29Å; L151-I153 HydrophobicContact CD1-CG1 3.71Å; L151-I158 HydrophobicContact CB-CG2 4.41Å; L151-I158 HydrophobicContact CD1-CG2 4.25Å; L151-I158 HydrophobicContact CD2-CG2 4.35Å; L151-R159 CarbonylContact C-O 3.23Å; L151-R159 VanDerWaalsContact CA-O 3.27Å; L151-R159 WeakPolarHBondContact CA-O 3.44Å; L151-R159 VanDerWaalsContact CB-O 3.29Å; L151-R159 WeakPolarHBondContact CB-O 3.45Å; L151-V181 HydrophobicContact CD2-CG2 3.87Å; L151-I184 HydrophobicContact CB-CD1 3.88Å; L151-I184 HydrophobicContact CD2-CD1 4.14Å; L151-A222 WeakPolarHBondContact O-CA 3.21Å; L151-V223 HydrophobicContact CD1-CB 3.71Å; L151-V223 HydrophobicContact CD1-CG2 4Å; L151-V223 HydrophobicContact CG-CB 4.02Å; L151-V223 PolarHBondContact N-O 3.42Å; L151-V223 VanDerWaalsContact N-O 3.12Å; L151-V223 PolarHBondContact O-N 3.38Å
152E91.7Very high89.9Confident8 Ų826.3 Ų26.34%0.03713%0.134CC..EExtended strand (participates in β ladder)trans-109.9136.3172.1177.2177.5-108.700109.7I158 R159 L161 S220 H221E152-I158 CarbonylContact O-C 3.55Å; E152-I158 WeakPolarHBondContact O-CA 3.39Å; E152-R159 HydrophobicContact CB-CB 4.36Å; E152-R159 PolarHBondContact N-O 3.18Å; E152-R159 PolarHBondContact O-N 2.82Å; E152-R159 WeakPolarHBondContact OE2-CD 3.35Å; E152-R159 IonicContact OE2-NH1 2.87Å; E152-R159 PolarHBondContact OE2-NH1 3.35Å; E152-R159 VanDerWaalsContact OE2-NH1 3.15Å; E152-L161 HydrophobicContact CB-CD1 4.16Å; E152-L161 HydrophobicContact CB-CD2 4.02Å; E152-L161 HydrophobicContact CB-CG 4.11Å; E152-S220 WeakPolarHBondContact OE1-CB 3.24Å; E152-S220 PolarHBondContact OE1-OG 2.95Å; E152-H221 CarbonylContact C-O 3.48Å; E152-H221 WeakPolarHBondContact CA-O 3.49Å
153I90.8Very high90.1Very high3 Ų327.5 Ų27.52%0.01514%0.141CC..EExtended strand (participates in β ladder)trans-109.9104.6163-47.6-176.3000108.2L151 M157 I158 H221 L303 L306L151-I153 HydrophobicContact CD1-CD1 4.29Å; L151-I153 HydrophobicContact CD1-CG1 3.71Å; I153-M157 WeakPolarHBondContact CA-O 3.45Å; I153-I158 HydrophobicContact CG1-CG1 4.38Å; I153-H221 HydrophobicContact CB-CB 4.31Å; I153-H221 PolarHBondContact N-O 2.85Å; I153-H221 PolarHBondContact O-CD2 3.03Å; I153-H221 PolarHBondContact O-N 2.84Å; I153-L303 HydrophobicContact CD1-CB 4.38Å; I153-L303 HydrophobicContact CD1-CD1 4.3Å; I153-L306 HydrophobicContact CD1-CD2 4.12Å
154Y86.3Confident89.8Confident37 Ų3727.1 Ų27.115%0.14514%0.144CC..EExtended strand (participates in β ladder)trans-126.3131.8178.8174.2-127.3000109.6E156 M157 R219 E269Y154-E156 PolarHBondContact O-N 2.97Å; Y154-E156 VanDerWaalsContact O-N 3.16Å; Y154-M157 PolarHBondContact N-O 2.87Å; Y154-M157 WeakPolarHBondContact O-CA 3.37Å; Y154-M157 WeakPolarHBondContact O-CB 3.38Å; Y154-M157 PolarHBondContact O-N 3.34Å; Y154-R219 HydrophobicContact CE2-CB 4.37Å; Y154-E269 HydrophobicContact CE2-CG 4.05Å
155N81.4Confident89.5Confident60 Ų6030.1 Ų30.132%0.32117%0.171SC..THydrogen-bonded Turntrans52.136.7179.1-165.756.4000114.3M157 H272N155-M157 PolarHBondContact O-N 3.13Å; N155-M157 VanDerWaalsContact O-N 3.17Å; N155-H272 VanDerWaalsContact OD1-CB 3.27Å; N155-H272 WeakPolarHBondContact OD1-CB 3.32Å; N155-H272 PolarHBondContact OD1-CD2 3.15Å; N155-H272 VanDerWaalsContact OD1-CG 3.28Å
156E86.1Confident89Confident18 Ų1828.8 Ų28.88%0.08416%0.162CC..THydrogen-bonded Turntrans5915.6-172-72.8-81.796.300115.4Y154 R275 S301 K302Y154-E156 PolarHBondContact O-N 2.97Å; Y154-E156 VanDerWaalsContact O-N 3.16Å; E156-R275 IonicContact OE2-CZ 3.97Å; E156-R275 IonicContact OE2-NE 3.16Å; E156-R275 IonicContact OE2-NH2 2.71Å; E156-R275 PolarHBondContact OE2-NH2 3.14Å; E156-S301 VanDerWaalsContact OE2-CA 3.23Å; E156-S301 WeakPolarHBondContact OE2-CA 3.46Å; E156-K302 WeakPolarHBondContact O-CD 3.46Å; E156-K302 WeakPolarHBondContact O-CE 3.32Å; E156-K302 PolarHBondContact O-NZ 3Å; E156-K302 PolarHBondContact OE1-N 3.14Å; E156-K302 PolarHBondContact OE2-N 3.14Å
157M87.5Confident88.6Confident68 Ų6830.2 Ų30.234%0.33518%0.178SC..EExtended strand (participates in β ladder)trans-99.2145167.6-54.6-56.8-75.600109.5I153 Y154 N155 F168I153-M157 WeakPolarHBondContact CA-O 3.45Å; Y154-M157 PolarHBondContact N-O 2.87Å; Y154-M157 WeakPolarHBondContact O-CA 3.37Å; Y154-M157 WeakPolarHBondContact O-CB 3.38Å; Y154-M157 PolarHBondContact O-N 3.34Å; N155-M157 PolarHBondContact O-N 3.13Å; N155-M157 VanDerWaalsContact O-N 3.17Å; M157-F168 HydrophobicContact CB-CD1 3.66Å; M157-F168 HydrophobicContact CB-CE1 3.72Å; M157-F168 HydrophobicContact CB-CG 4.5Å; M157-F168 HydrophobicContact CE-CB 3.75Å; M157-F168 HydrophobicContact CE-CD1 3.8Å; M157-F168 HydrophobicContact CE-CD2 3.59Å; M157-F168 HydrophobicContact CE-CE1 4.22Å; M157-F168 HydrophobicContact CE-CE2 4.05Å; M157-F168 HydrophobicContact CE-CG 3.45Å; M157-F168 VanDerWaalsContact CE-CG 3.45Å; M157-F168 HydrophobicContact CE-CZ 4.33Å; M157-F168 HydrophobicContact CG-CD1 4.27Å; M157-F168 HydrophobicContact CG-CE1 4.11Å
158I91.4Very high88.4Confident0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-104.2133.1173.6-57.6176.9000107.4L151 E152 I153 F168 L169 L171 V181 K302L151-I158 HydrophobicContact CB-CG2 4.41Å; L151-I158 HydrophobicContact CD1-CG2 4.25Å; L151-I158 HydrophobicContact CD2-CG2 4.35Å; E152-I158 CarbonylContact O-C 3.55Å; E152-I158 WeakPolarHBondContact O-CA 3.39Å; I153-I158 HydrophobicContact CG1-CG1 4.38Å; I158-F168 WeakPolarHBondContact O-CA 3.44Å; I158-L169 HydrophobicContact CB-CB 4.13Å; I158-L169 HydrophobicContact CG2-CB 4Å; I158-L169 PolarHBondContact O-N 3.43Å; I158-L171 HydrophobicContact CD1-CB 4.07Å; I158-L171 HydrophobicContact CD1-CD1 4.13Å; I158-V181 HydrophobicContact CD1-CG2 4.32Å; I158-V181 HydrophobicContact CG2-CG1 4.13Å; I158-K302 HydrophobicContact CD1-CD 3.89Å; I158-K302 HydrophobicContact CG1-CD 3.79Å
159R90.8Very high88.3Confident68 Ų6835.5 Ų35.526%0.25720%0.199SC..EExtended strand (participates in β ladder)trans-124145.7172.9-71.3169.5167.1165.4-9.2110.1L151 E152 F168 E209L151-R159 CarbonylContact C-O 3.23Å; L151-R159 VanDerWaalsContact CA-O 3.27Å; L151-R159 WeakPolarHBondContact CA-O 3.44Å; L151-R159 VanDerWaalsContact CB-O 3.29Å; L151-R159 WeakPolarHBondContact CB-O 3.45Å; E152-R159 HydrophobicContact CB-CB 4.36Å; E152-R159 PolarHBondContact N-O 3.18Å; E152-R159 PolarHBondContact O-N 2.82Å; E152-R159 WeakPolarHBondContact OE2-CD 3.35Å; E152-R159 IonicContact OE2-NH1 2.87Å; E152-R159 PolarHBondContact OE2-NH1 3.35Å; E152-R159 VanDerWaalsContact OE2-NH1 3.15Å; R159-F168 HydrophobicContact CG-CD1 4.01Å; R159-F168 HydrophobicContact CG-CE1 4.04Å; R159-E209 IonicContact CZ-OE1 3.59Å; R159-E209 IonicContact NH1-OE1 3.31Å; R159-E209 PolarHBondContact NH1-OE1 3.39Å; R159-E209 IonicContact NH2-OE1 3.02Å; R159-E209 PolarHBondContact NH2-OE1 3.16Å
160D93.1Very high88.1Confident3 Ų340 Ų402%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-83.2129.4170.4-167.8-39.9000109.8L162 N163 S166 L169 I184 T185D160-L162 WeakPolarHBondContact OD1-CA 3.09Å; D160-L162 WeakPolarHBondContact OD1-CB 3.43Å; D160-L162 PolarHBondContact OD1-N 3.35Å; D160-N163 WeakPolarHBondContact CB-O 3.32Å; D160-N163 PolarHBondContact OD1-N 2.94Å; D160-S166 VanDerWaalsContact CB-OG 3.3Å; D160-S166 WeakPolarHBondContact CB-OG 3.35Å; D160-L169 HydrophobicContact CB-CD1 4.11Å; D160-I184 HydrophobicContact CB-CD1 4.04Å; D160-T185 WeakPolarHBondContact OD2-CB 3.49Å; D160-T185 PolarHBondContact OD2-N 3.31Å; D160-T185 PolarHBondContact OD2-OG1 3.42Å
161L91.1Very high87.9Confident6 Ų640.4 Ų40.43%0.03123%0.225CC..SBendtrans-96.20.6177.6-64.2176.3000112.8Y150 E152 G202 Q205 R206Y150-L161 HydrophobicContact CD1-CB 3.98Å; Y150-L161 HydrophobicContact CD1-CD1 3.89Å; Y150-L161 HydrophobicContact CD2-CD1 4.13Å; Y150-L161 HydrophobicContact CE1-CD1 3.86Å; Y150-L161 HydrophobicContact CE2-CD1 4.13Å; Y150-L161 HydrophobicContact CG-CB 4.16Å; Y150-L161 HydrophobicContact CG-CD1 4.01Å; Y150-L161 WeakPolarHBondContact O-CB 3.26Å; Y150-L161 PolarHBondContact O-N 3.27Å; E152-L161 HydrophobicContact CB-CD1 4.16Å; E152-L161 HydrophobicContact CB-CD2 4.02Å; E152-L161 HydrophobicContact CB-CG 4.11Å; L161-G202 WeakPolarHBondContact O-CA 3.46Å; L161-Q205 HydrophobicContact CD2-CB 4.22Å; L161-Q205 PolarHBondContact O-NE2 3.34Å; L161-Q205 PolarHBondContact O-OE1 3.01Å; L161-R206 HydrophobicContact CD1-CB 4.29Å; L161-R206 HydrophobicContact CD2-CB 4.11Å
162L90.9Very high87.7Confident7 Ų747.8 Ų47.84%0.03725%0.252CS..SBendtrans-103-31.1172.8-55.1-176.7000110.9M148 D160 V187 L198 K201M148-L162 HydrophobicContact SD-CD1 4.45Å; D160-L162 WeakPolarHBondContact OD1-CA 3.09Å; D160-L162 WeakPolarHBondContact OD1-CB 3.43Å; D160-L162 PolarHBondContact OD1-N 3.35Å; L162-V187 HydrophobicContact CD1-CB 4.5Å; L162-V187 HydrophobicContact CD1-CG2 3.78Å; L162-L198 HydrophobicContact CD2-CB 4.11Å; L162-L198 HydrophobicContact CD2-CD2 4.3Å; L162-K201 PolarHBondContact O-NZ 3.01Å
163N88.5Confident87.4Confident65 Ų6550.7 Ų50.735%0.34827%0.266SS..  trans-133.886.2177.3-177.77.8000112.3D160 S165 S166 T185D160-N163 WeakPolarHBondContact CB-O 3.32Å; D160-N163 PolarHBondContact OD1-N 2.94Å; N163-S165 PolarHBondContact O-N 3.08Å; N163-S165 PolarHBondContact OD1-N 3.44Å; N163-S166 WeakPolarHBondContact O-CB 3.34Å; N163-S166 PolarHBondContact O-N 3.43Å; N163-S166 PolarHBondContact O-OG 3.38Å; N163-T185 VanDerWaalsContact CB-OG1 3.25Å; N163-T185 WeakPolarHBondContact CB-OG1 3.4Å
164P79.3Confident86.8Confident81 Ų8153.4 Ų53.453%0.52628%0.281SS..G310 helixtrans-69.9-20-174.529.7-32.3000112.7S166 Q205P164-S166 PolarHBondContact O-N 2.97Å; P164-Q205 VanDerWaalsContact CG-OE1 3.3Å
165S81.2Confident86.2Confident106 Ų10657.9 Ų57.974%0.74132%0.317SS*.G310 helixtrans-70.1-11.4176.5-52.60000113.7N163 G167N163-S165 PolarHBondContact O-N 3.08Å; N163-S165 PolarHBondContact OD1-N 3.44Å; S165-G167 PolarHBondContact O-N 3.17Å
166S78.9Confident85.6Confident41 Ų4163.6 Ų63.629%0.28734%0.339SS..G310 helixtrans-67.1-19176.362.40000114D160 N163 P164D160-S166 VanDerWaalsContact CB-OG 3.3Å; D160-S166 WeakPolarHBondContact CB-OG 3.35Å; N163-S166 WeakPolarHBondContact O-CB 3.34Å; N163-S166 PolarHBondContact O-N 3.43Å; N163-S166 PolarHBondContact O-OG 3.38Å; P164-S166 PolarHBondContact O-N 2.97Å
167G84Confident85Confident36 Ų3663.8 Ų63.837%0.37135%0.346SS..  trans77.3-132-177.800000112.8S165S165-G167 PolarHBondContact O-N 3.17Å
168F88.7Confident84.6Confident121 Ų12163.1 Ų63.153%0.53135%0.345SS..EExtended strand (participates in β ladder)trans-106.2129.6-177-65.9-60.3000111.9M157 I158 R159M157-F168 HydrophobicContact CB-CD1 3.66Å; M157-F168 HydrophobicContact CB-CE1 3.72Å; M157-F168 HydrophobicContact CB-CG 4.5Å; M157-F168 HydrophobicContact CE-CB 3.75Å; M157-F168 HydrophobicContact CE-CD1 3.8Å; M157-F168 HydrophobicContact CE-CD2 3.59Å; M157-F168 HydrophobicContact CE-CE1 4.22Å; M157-F168 HydrophobicContact CE-CE2 4.05Å; M157-F168 HydrophobicContact CE-CG 3.45Å; M157-F168 VanDerWaalsContact CE-CG 3.45Å; M157-F168 HydrophobicContact CE-CZ 4.33Å; M157-F168 HydrophobicContact CG-CD1 4.27Å; M157-F168 HydrophobicContact CG-CE1 4.11Å; I158-F168 WeakPolarHBondContact O-CA 3.44Å; R159-F168 HydrophobicContact CG-CD1 4.01Å; R159-F168 HydrophobicContact CG-CE1 4.04Å
169L91.9Very high84.3Confident12 Ų1263.8 Ų63.86%0.06335%0.349CS..EExtended strand (participates in β ladder)trans-99153.3-174.9-55.4-177.4000113.6I158 D160 V181 I184I158-L169 HydrophobicContact CB-CB 4.13Å; I158-L169 HydrophobicContact CG2-CB 4Å; I158-L169 PolarHBondContact O-N 3.43Å; D160-L169 HydrophobicContact CB-CD1 4.11Å; L169-V181 HydrophobicContact CB-CG1 3.65Å; L169-V181 HydrophobicContact CD1-CG1 3.74Å; L169-V181 HydrophobicContact CG-CG1 4.36Å; L169-I184 HydrophobicContact CD1-CB 3.98Å; L169-I184 HydrophobicContact CD1-CD1 3.65Å; L169-I184 HydrophobicContact CD1-CG1 4.42Å
170D88.9Confident84.1Confident95 Ų9565 Ų6551%0.50836%0.358SS..EExtended strand (participates in β ladder)trans-108.1139.4-177.9-100.9-26.5000112.7A182D170-A182 PolarHBondContact O-N 3.37Å
171L90.3Very high84Confident9 Ų965.6 Ų65.65%0.04736%0.361CS..EExtended strand (participates in β ladder)trans-96114.3179.5-163.678.5000110.3I158 I179 V181 R305 L306I158-L171 HydrophobicContact CD1-CB 4.07Å; I158-L171 HydrophobicContact CD1-CD1 4.13Å; L171-I179 HydrophobicContact CD1-CG2 3.71Å; L171-I179 HydrophobicContact CD2-CG2 3.79Å; L171-I179 HydrophobicContact CG-CG2 3.67Å; L171-V181 HydrophobicContact CD1-CG2 3.63Å; L171-R305 HydrophobicContact CD2-CB 3.28Å; L171-R305 HydrophobicContact CD2-CG 4.29Å; L171-R305 PolarHBondContact O-NH1 3.12Å; L171-R305 PolarHBondContact O-NH2 3.42Å; L171-L306 HydrophobicContact CD1-CD1 4.24Å
172R88.9Confident83.9Confident159 Ų15966.9 Ų66.960%0.637%0.373SS*.EExtended strand (participates in β ladder)trans-109.1165.2-177.1-57.9-167.1-177.8-168.9-1.9111.3I179 Q180 A182R172-I179 WeakPolarHBondContact O-CA 3.4Å; R172-Q180 PolarHBondContact N-O 3.35Å; R172-Q180 PolarHBondContact O-N 3.15Å; R172-A182 HydrophobicContact CG-CB 3.97Å
173E85Confident83.7Confident70 Ų7069.4 Ų69.433%0.32740%0.401SS..EExtended strand (participates in β ladder)trans-127.5126.2179.9-170.5158.9-15100106.3V178 I179 R299 K308E173-V178 WeakPolarHBondContact CA-O 3.4Å; E173-I179 HydrophobicContact CB-CD1 3.74Å; E173-I179 HydrophobicContact CG-CD1 3.69Å; E173-R299 IonicContact OE2-CZ 2.71Å; E173-R299 IonicContact OE2-NE 2.63Å; E173-R299 IonicContact OE2-NH2 3.38Å; E173-R299 PolarHBondContact OE2-NH2 3.46Å; E173-K308 IonicContact OE1-NZ 3.85Å; E173-K308 PolarHBondContact OE1-NZ 3.03Å
174D78.1Confident83.9Confident60 Ų6067.6 Ų67.632%0.32139%0.391SS..  trans-82.3177.9-176.684.6-8.4000112.6K176 G177 V178D174-K176 PolarHBondContact O-N 3.4Å; D174-K176 VanDerWaalsContact O-N 3.13Å; D174-K176 VanDerWaalsContact OD1-C 3.3Å; D174-K176 VanDerWaalsContact OD1-CA 3.28Å; D174-K176 WeakPolarHBondContact OD1-CA 3.45Å; D174-K176 WeakPolarHBondContact OD1-CB 3.39Å; D174-K176 PolarHBondContact OD1-N 3.39Å; D174-G177 PolarHBondContact O-N 3.04Å; D174-G177 PolarHBondContact OD1-N 3.13Å; D174-V178 PolarHBondContact N-O 3.02Å; D174-V178 PolarHBondContact OD1-N 2.94Å
175S74.1Confident84.5Confident130 Ų13065.6 Ų65.691%0.90938%0.377SS*.THydrogen-bonded Turntrans-66.5-9.417955.70000114.6
176K69.6Low85.1Confident181 Ų18164.9 Ų64.979%0.78736%0.362SS*.THydrogen-bonded Turntrans-101.8-0.8173.8-60.5174.5-178.3175.20111.9D174 V178D174-K176 PolarHBondContact O-N 3.4Å; D174-K176 VanDerWaalsContact O-N 3.13Å; D174-K176 VanDerWaalsContact OD1-C 3.3Å; D174-K176 VanDerWaalsContact OD1-CA 3.28Å; D174-K176 WeakPolarHBondContact OD1-CA 3.45Å; D174-K176 WeakPolarHBondContact OD1-CB 3.39Å; D174-K176 PolarHBondContact OD1-N 3.39Å; K176-V178 HydrophobicContact CB-CG2 4.26Å
177G71.6Confident85.7Confident22 Ų2264.9 Ų64.923%0.22736%0.36CS..SBendtrans80.412.3-176.700000114.5D174 K308D174-G177 PolarHBondContact O-N 3.04Å; D174-G177 PolarHBondContact OD1-N 3.13Å; G177-K308 PolarHBondContact O-NZ 3.46Å
178V79.5Confident85.9Confident53 Ų5367.5 Ų67.532%0.32137%0.373SS..  trans-78.5136.7176.7-175.20000109.3E173 D174 K176E173-V178 WeakPolarHBondContact CA-O 3.4Å; D174-V178 PolarHBondContact N-O 3.02Å; D174-V178 PolarHBondContact OD1-N 2.94Å; K176-V178 HydrophobicContact CB-CG2 4.26Å
179I85.6Confident85.7Confident15 Ų1562.1 Ų62.18%0.07735%0.35CS..EExtended strand (participates in β ladder)trans-92130.2-178-61.8-69.4000110.1L171 R172 E173 R305 K308L171-I179 HydrophobicContact CD1-CG2 3.71Å; L171-I179 HydrophobicContact CD2-CG2 3.79Å; L171-I179 HydrophobicContact CG-CG2 3.67Å; R172-I179 WeakPolarHBondContact O-CA 3.4Å; E173-I179 HydrophobicContact CB-CD1 3.74Å; E173-I179 HydrophobicContact CG-CD1 3.69Å; I179-R305 WeakPolarHBondContact CG1-O 2.97Å; I179-K308 HydrophobicContact CD1-CD 4.41Å; I179-K308 HydrophobicContact CG1-CB 4.47Å; I179-K308 HydrophobicContact CG1-CD 3.79Å
180Q86.7Confident85.1Confident93 Ų9368.4 Ų68.444%0.43538%0.382SS..EExtended strand (participates in β ladder)trans-139.1151.8179.8-61.1-173.812.300111.5R172R172-Q180 PolarHBondContact N-O 3.35Å; R172-Q180 PolarHBondContact O-N 3.15Å
181V91.1Very high84.6Confident15 Ų1566.4 Ų66.49%0.09137%0.371CS..EExtended strand (participates in β ladder)trans-90.7118172.8-176.40000108.1L151 I158 L169 L171 I184L151-V181 HydrophobicContact CD2-CG2 3.87Å; I158-V181 HydrophobicContact CD1-CG2 4.32Å; I158-V181 HydrophobicContact CG2-CG1 4.13Å; L169-V181 HydrophobicContact CB-CG1 3.65Å; L169-V181 HydrophobicContact CD1-CG1 3.74Å; L169-V181 HydrophobicContact CG-CG1 4.36Å; L171-V181 HydrophobicContact CD1-CG2 3.63Å; V181-I184 HydrophobicContact CB-CB 4.02Å; V181-I184 HydrophobicContact CB-CG2 4.11Å; V181-I184 HydrophobicContact CG1-CB 3.92Å; V181-I184 WeakPolarHBondContact O-CG2 3.37Å
182A88.4Confident83.9Confident33 Ų3367.1 Ų67.127%0.27338%0.379SS..EExtended strand (participates in β ladder)trans-79.1126.4179.200000110.3D170 R172D170-A182 PolarHBondContact O-N 3.37Å; R172-A182 HydrophobicContact CG-CB 3.97Å
183G87.6Confident83.6Confident61 Ų6164.8 Ų64.863%0.62938%0.375SS*.THydrogen-bonded Turntrans82.412-179.700000115.2
184I92.6Very high83.6Confident26 Ų2664.6 Ų64.613%0.13337%0.374CS..  trans-69.2140.8170.2-168.366000110.5L151 D160 L169 V181 E186L151-I184 HydrophobicContact CB-CD1 3.88Å; L151-I184 HydrophobicContact CD2-CD1 4.14Å; D160-I184 HydrophobicContact CB-CD1 4.04Å; L169-I184 HydrophobicContact CD1-CB 3.98Å; L169-I184 HydrophobicContact CD1-CD1 3.65Å; L169-I184 HydrophobicContact CD1-CG1 4.42Å; V181-I184 HydrophobicContact CB-CB 4.02Å; V181-I184 HydrophobicContact CB-CG2 4.11Å; V181-I184 HydrophobicContact CG1-CB 3.92Å; V181-I184 WeakPolarHBondContact O-CG2 3.37Å; I184-E186 HydrophobicContact CG2-CG 4.38Å; I184-E186 PolarHBondContact O-N 3.18Å
185T92.6Very high83.7Confident39 Ų3961.8 Ų61.824%0.23936%0.359CS..  trans-73118.2171.9-50.30000109.5S149 D160 N163 V187S149-T185 WeakPolarHBondContact CB-O 2.96Å; S149-T185 PolarHBondContact OG-O 3Å; D160-T185 WeakPolarHBondContact OD2-CB 3.49Å; D160-T185 PolarHBondContact OD2-N 3.31Å; D160-T185 PolarHBondContact OD2-OG1 3.42Å; N163-T185 VanDerWaalsContact CB-OG1 3.25Å; N163-T185 WeakPolarHBondContact CB-OG1 3.4Å; T185-V187 HydrophobicContact CG2-CG2 3.72Å
186E92.3Very high84Confident91 Ų9157 Ų5743%0.42532%0.322SS..  trans-101.8107165.6-51-150.8150.100108.1S149 I184 Q225 R245S149-E186 WeakPolarHBondContact OG-CA 3.4Å; S149-E186 WeakPolarHBondContact OG-CG 3.45Å; I184-E186 HydrophobicContact CG2-CG 4.38Å; I184-E186 PolarHBondContact O-N 3.18Å; E186-Q225 PolarHBondContact OE1-NE2 3.06Å; E186-R245 IonicContact OE1-NH1 2.71Å; E186-R245 IonicContact OE1-NH2 3.1Å; E186-R245 PolarHBondContact OE1-NH2 3.41Å
187V91.1Very high84.8Confident41 Ų4153.4 Ų53.425%0.24831%0.308CS..EExtended strand (participates in β ladder)trans-91.5119.8178.7-175.40000108.9S147 M148 L162 T185 T189 L198S147-V187 CarbonylContact C-O 3.6Å; S147-V187 VanDerWaalsContact CA-O 3.25Å; S147-V187 WeakPolarHBondContact CA-O 3.31Å; M148-V187 PolarHBondContact N-O 3.27Å; M148-V187 PolarHBondContact O-N 2.83Å; L162-V187 HydrophobicContact CD1-CB 4.5Å; L162-V187 HydrophobicContact CD1-CG2 3.78Å; T185-V187 HydrophobicContact CG2-CG2 3.72Å; V187-T189 HydrophobicContact CG1-CG2 4.3Å; V187-L198 HydrophobicContact CB-CD1 3.99Å; V187-L198 HydrophobicContact CG1-CD1 3.71Å; V187-L198 HydrophobicContact CG1-CD2 4.39Å; V187-L198 HydrophobicContact CG2-CD2 4.47Å
188S89.8Confident85.6Confident92 Ų9253.6 Ų53.664%0.64330%0.304SS*.EExtended strand (participates in β ladder)trans-73.4136.1170.655.20000110.9V146V146-S188 WeakPolarHBondContact O-CA 3.22Å
189T84.3Confident86Confident8 Ų851.1 Ų51.15%0.04929%0.289CS..EExtended strand (participates in β ladder)trans-138.9143.1-17649.40000110.7V146 V187 E194 I195 L198V146-T189 PolarHBondContact O-N 3.5Å; V146-T189 VanDerWaalsContact O-N 3.07Å; V187-T189 HydrophobicContact CG1-CG2 4.3Å; T189-E194 VanDerWaalsContact CA-OE2 3.26Å; T189-E194 WeakPolarHBondContact CA-OE2 3.47Å; T189-E194 HydrophobicContact CG2-CB 3.89Å; T189-I195 HydrophobicContact CG2-CG1 3.86Å; T189-I195 WeakPolarHBondContact OG1-CD1 3.44Å; T189-I195 WeakPolarHBondContact OG1-CG1 3.44Å; T189-L198 HydrophobicContact CG2-CD1 3.57Å
190I78.4Confident85.9Confident144 Ų14455.3 Ų55.374%0.73831%0.31SS*.SBendtrans-108.3-9.9-174.659.1168.3000114E194I190-E194 VanDerWaalsContact CG1-OE1 3.25Å; I190-E194 WeakPolarHBondContact CG1-OE1 3.37Å; I190-E194 WeakPolarHBondContact CG1-OE2 3.38Å; I190-E194 PolarHBondContact N-OE2 3.16Å
191N78Confident85.9Confident52 Ų5256 Ų5628%0.27831%0.311SS..SBendtrans-148.6168.5179.160.764.5000112.8F132 Q193 E194F132-N191 WeakPolarHBondContact CE2-O 3.27Å; F132-N191 VanDerWaalsContact CZ-C 3.47Å; F132-N191 VanDerWaalsContact CZ-O 3.3Å; F132-N191 WeakPolarHBondContact CZ-O 3.33Å; N191-Q193 VanDerWaalsContact C-N 3.33Å; N191-Q193 PolarHBondContact O-N 3.33Å; N191-Q193 WeakPolarHBondContact OD1-CB 3.4Å; N191-Q193 PolarHBondContact OD1-N 3.16Å; N191-Q193 VanDerWaalsContact OD1-N 3.1Å; N191-E194 VanDerWaalsContact ND2-CD 3.27Å; N191-E194 PolarHBondContact ND2-OE1 2.89Å; N191-E194 WeakPolarHBondContact OD1-CG 3.36Å; N191-E194 PolarHBondContact OD1-N 2.91Å
192A76.8Confident85.7Confident24 Ų2455.3 Ų55.320%0.19831%0.307CS..Hα-helixtrans-66.5-30.2-179.900000114.1F132 I195 M196F132-A192 HydrophobicContact CB-CB 4.28Å; F132-A192 VanDerWaalsContact CD2-CA 3.41Å; F132-A192 HydrophobicContact CD2-CB 3.61Å; F132-A192 HydrophobicContact CE2-CB 4.24Å; F132-A192 HydrophobicContact CG-CB 4.16Å; A192-I195 PolarHBondContact O-N 2.75Å; A192-M196 PolarHBondContact O-N 3.14Å
193Q81.9Confident85.4Confident111 Ų11154.8 Ų54.852%0.51930%0.299SS..Hα-helixtrans-68-43.3-177.6-178.362.92600111.4N191 I195 M196 E197N191-Q193 VanDerWaalsContact C-N 3.33Å; N191-Q193 PolarHBondContact O-N 3.33Å; N191-Q193 WeakPolarHBondContact OD1-CB 3.4Å; N191-Q193 PolarHBondContact OD1-N 3.16Å; N191-Q193 VanDerWaalsContact OD1-N 3.1Å; Q193-I195 PolarHBondContact O-N 2.9Å; Q193-M196 WeakPolarHBondContact O-CA 3.43Å; Q193-M196 VanDerWaalsContact O-CB 3.28Å; Q193-M196 WeakPolarHBondContact O-CB 3.41Å; Q193-M196 PolarHBondContact O-N 2.99Å; Q193-M196 VanDerWaalsContact O-N 3.09Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.42Å; Q193-E197 PolarHBondContact NE2-OE1 3.46Å; Q193-E197 PolarHBondContact O-N 3.18Å
194E84.4Confident85.1Confident66 Ų6658.5 Ų58.531%0.30830%0.298SS..Hα-helixtrans-58.4-46.3174.5-75.2162.4-16000112.1T189 I190 N191 M196 E197 L198T189-E194 VanDerWaalsContact CA-OE2 3.26Å; T189-E194 WeakPolarHBondContact CA-OE2 3.47Å; T189-E194 HydrophobicContact CG2-CB 3.89Å; I190-E194 VanDerWaalsContact CG1-OE1 3.25Å; I190-E194 WeakPolarHBondContact CG1-OE1 3.37Å; I190-E194 WeakPolarHBondContact CG1-OE2 3.38Å; I190-E194 PolarHBondContact N-OE2 3.16Å; N191-E194 VanDerWaalsContact ND2-CD 3.27Å; N191-E194 PolarHBondContact ND2-OE1 2.89Å; N191-E194 WeakPolarHBondContact OD1-CG 3.36Å; N191-E194 PolarHBondContact OD1-N 2.91Å; E194-M196 VanDerWaalsContact C-N 3.28Å; E194-M196 PolarHBondContact O-N 3.48Å; E194-E197 PolarHBondContact O-N 2.92Å; E194-L198 VanDerWaalsContact O-CG 3.28Å; E194-L198 WeakPolarHBondContact O-CG 3.36Å; E194-L198 PolarHBondContact O-N 3.32Å
195I81.8Confident84.6Confident0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-64.7-35.6175.6-60.4-161.1000110.8L128 F132 V146 M148 T189 A192 Q193 L198 L199L128-I195 HydrophobicContact CD1-CB 4.43Å; L128-I195 HydrophobicContact CD1-CG2 3.43Å; L128-I195 VanDerWaalsContact CD1-CG2 3.43Å; L128-I195 HydrophobicContact CD2-CD1 4.09Å; L128-I195 HydrophobicContact CD2-CG2 3.77Å; L128-I195 HydrophobicContact CG-CG2 4.18Å; F132-I195 HydrophobicContact CE2-CB 4.43Å; F132-I195 HydrophobicContact CE2-CD1 3.57Å; F132-I195 HydrophobicContact CE2-CG1 3.88Å; F132-I195 HydrophobicContact CZ-CD1 3.67Å; F132-I195 HydrophobicContact CZ-CG1 4.01Å; V146-I195 HydrophobicContact CG1-CD1 4.09Å; M148-I195 HydrophobicContact CB-CD1 4.35Å; M148-I195 HydrophobicContact CE-CG2 3.95Å; M148-I195 HydrophobicContact CG-CG2 4.24Å; M148-I195 HydrophobicContact SD-CB 4.48Å; M148-I195 HydrophobicContact SD-CG2 3.78Å; T189-I195 HydrophobicContact CG2-CG1 3.86Å; T189-I195 WeakPolarHBondContact OG1-CD1 3.44Å; T189-I195 WeakPolarHBondContact OG1-CG1 3.44Å; A192-I195 PolarHBondContact O-N 2.75Å; Q193-I195 PolarHBondContact O-N 2.9Å; I195-L198 PolarHBondContact O-N 3.42Å; I195-L199 VanDerWaalsContact O-CB 3.26Å; I195-L199 WeakPolarHBondContact O-CB 3.39Å; I195-L199 PolarHBondContact O-N 3.33Å
196M80.5Confident84Confident30 Ų3057.8 Ų57.815%0.14829%0.291CS..Hα-helixtrans-61.3-45.9176-158.45546.700112.1V125 A192 Q193 E194 L199 M200V125-M196 HydrophobicContact CB-CE 4.1Å; V125-M196 HydrophobicContact CG1-CE 3.75Å; V125-M196 HydrophobicContact CG1-SD 4.31Å; V125-M196 HydrophobicContact CG2-CE 3.98Å; V125-M196 HydrophobicContact CG2-SD 3.8Å; A192-M196 PolarHBondContact O-N 3.14Å; Q193-M196 WeakPolarHBondContact O-CA 3.43Å; Q193-M196 VanDerWaalsContact O-CB 3.28Å; Q193-M196 WeakPolarHBondContact O-CB 3.41Å; Q193-M196 PolarHBondContact O-N 2.99Å; Q193-M196 VanDerWaalsContact O-N 3.09Å; E194-M196 VanDerWaalsContact C-N 3.28Å; E194-M196 PolarHBondContact O-N 3.48Å; M196-L199 PolarHBondContact O-N 3.22Å; M196-L199 HydrophobicContact SD-CD2 4.43Å; M196-M200 HydrophobicContact CG-CE 4.28Å; M196-M200 WeakPolarHBondContact O-CG 3.29Å; M196-M200 PolarHBondContact O-N 3.03Å
197E86.4Confident82.5Confident105 Ų10558.4 Ų58.449%0.49130%0.301SS..Hα-helixtrans-66.7-40.5179.2-71.6173.1-160.200111.8Q193 E194 M200 K201Q193-E197 WeakPolarHBondContact CG-OE1 3.42Å; Q193-E197 PolarHBondContact NE2-OE1 3.46Å; Q193-E197 PolarHBondContact O-N 3.18Å; E194-E197 PolarHBondContact O-N 2.92Å; E197-M200 HydrophobicContact CG-CE 4.11Å; E197-M200 PolarHBondContact O-N 3.27Å; E197-K201 VanDerWaalsContact O-CB 3.23Å; E197-K201 WeakPolarHBondContact O-CB 3.42Å; E197-K201 PolarHBondContact O-N 3.19Å
198L88.6Confident80.5Confident27 Ų2762.4 Ų62.414%0.14132%0.317CS..Hα-helixtrans-63.7-39.1172.3-68.7169.9000112.4M148 L162 V187 T189 E194 I195 K201 G202M148-L198 HydrophobicContact CE-CB 3.95Å; M148-L198 HydrophobicContact SD-CB 3.39Å; M148-L198 WeakPolarHBondContact SD-CB 3.04Å; M148-L198 HydrophobicContact SD-CD1 3.69Å; M148-L198 HydrophobicContact SD-CG 4.19Å; L162-L198 HydrophobicContact CD2-CB 4.11Å; L162-L198 HydrophobicContact CD2-CD2 4.3Å; V187-L198 HydrophobicContact CB-CD1 3.99Å; V187-L198 HydrophobicContact CG1-CD1 3.71Å; V187-L198 HydrophobicContact CG1-CD2 4.39Å; V187-L198 HydrophobicContact CG2-CD2 4.47Å; T189-L198 HydrophobicContact CG2-CD1 3.57Å; E194-L198 VanDerWaalsContact O-CG 3.28Å; E194-L198 WeakPolarHBondContact O-CG 3.36Å; E194-L198 PolarHBondContact O-N 3.32Å; I195-L198 PolarHBondContact O-N 3.42Å; L198-K201 PolarHBondContact O-N 2.76Å; L198-G202 PolarHBondContact O-N 3.31Å
199L86.8Confident78.5Confident1 Ų161.6 Ų61.61%0.00530%0.303CS..Hα-helixtrans-65.4-46.3177176.758.2000110.9L115 Y124 L128 M148 Y150 I195 M196 G202 N203 L224L115-L199 HydrophobicContact CD1-CD2 4.38Å; Y124-L199 HydrophobicContact CD2-CD1 4.11Å; Y124-L199 HydrophobicContact CD2-CD2 4.16Å; Y124-L199 HydrophobicContact CE2-CD1 4.43Å; Y124-L199 HydrophobicContact CG-CD2 4.26Å; L128-L199 HydrophobicContact CD1-CD2 4.49Å; M148-L199 HydrophobicContact CE-CB 4.02Å; Y150-L199 HydrophobicContact CD1-CD1 4.32Å; Y150-L199 HydrophobicContact CE1-CD1 3.81Å; I195-L199 VanDerWaalsContact O-CB 3.26Å; I195-L199 WeakPolarHBondContact O-CB 3.39Å; I195-L199 PolarHBondContact O-N 3.33Å; M196-L199 PolarHBondContact O-N 3.22Å; M196-L199 HydrophobicContact SD-CD2 4.43Å; L199-G202 PolarHBondContact O-N 3.34Å; L199-N203 WeakPolarHBondContact CD1-ND2 3.32Å; L199-N203 WeakPolarHBondContact O-CB 3.34Å; L199-N203 VanDerWaalsContact O-CG 3.28Å; L199-N203 PolarHBondContact O-N 3.38Å; L199-N203 PolarHBondContact O-ND2 3.08Å; L199-N203 VanDerWaalsContact O-ND2 3.11Å; L199-L224 HydrophobicContact CD1-CD2 4.22Å
200M84.3Confident76.5Confident103 Ų10367.4 Ų67.451%0.50734%0.341SS..Hα-helixtrans-61.8-44.9173.8-70.2-172-6700111.6M196 E197 G202 N203 K204M196-M200 HydrophobicContact CG-CE 4.28Å; M196-M200 WeakPolarHBondContact O-CG 3.29Å; M196-M200 PolarHBondContact O-N 3.03Å; E197-M200 HydrophobicContact CG-CE 4.11Å; E197-M200 PolarHBondContact O-N 3.27Å; M200-G202 VanDerWaalsContact C-N 3.33Å; M200-G202 PolarHBondContact O-N 2.78Å; M200-N203 PolarHBondContact O-N 3.03Å; M200-K204 WeakPolarHBondContact O-CB 3.17Å; M200-K204 PolarHBondContact O-N 3.21Å
201K87.1Confident74.8Confident108 Ų10864 Ų6447%0.4733%0.327SS..Hα-helixtrans-57.4-43.1176.9-170.7-157.3178.4-166.90112L162 E197 L198 Q205L162-K201 PolarHBondContact O-NZ 3.01Å; E197-K201 VanDerWaalsContact O-CB 3.23Å; E197-K201 WeakPolarHBondContact O-CB 3.42Å; E197-K201 PolarHBondContact O-N 3.19Å; L198-K201 PolarHBondContact O-N 2.76Å; K201-Q205 PolarHBondContact O-N 3.27Å; K201-Q205 PolarHBondContact O-NE2 2.83Å
202G86.5Confident72.8Confident0 Ų067.3 Ų67.30%036%0.362CS..Hα-helixtrans-77.9-33.6179.400000114.3L161 L198 L199 M200 K204 Q205 R206L161-G202 WeakPolarHBondContact O-CA 3.46Å; L198-G202 PolarHBondContact O-N 3.31Å; L199-G202 PolarHBondContact O-N 3.34Å; M200-G202 VanDerWaalsContact C-N 3.33Å; M200-G202 PolarHBondContact O-N 2.78Å; G202-K204 VanDerWaalsContact C-N 3.31Å; G202-K204 PolarHBondContact O-N 2.76Å; G202-Q205 PolarHBondContact O-N 3.06Å; G202-R206 PolarHBondContact O-N 3.15Å
203N81.8Confident70.9Confident22 Ų2269 Ų6912%0.11838%0.376CS..Hα-helixtrans-63.2-38.6170.7-75.8-34.1000111.6L115 Y150 L199 M200 Q205 R206 T207L115-N203 WeakPolarHBondContact CD1-ND2 3.34Å; Y150-N203 WeakPolarHBondContact CE1-OD1 3.29Å; Y150-N203 PolarHBondContact OH-OD1 3.33Å; L199-N203 WeakPolarHBondContact CD1-ND2 3.32Å; L199-N203 WeakPolarHBondContact O-CB 3.34Å; L199-N203 VanDerWaalsContact O-CG 3.28Å; L199-N203 PolarHBondContact O-N 3.38Å; L199-N203 PolarHBondContact O-ND2 3.08Å; L199-N203 VanDerWaalsContact O-ND2 3.11Å; M200-N203 PolarHBondContact O-N 3.03Å; N203-Q205 VanDerWaalsContact C-N 3.34Å; N203-Q205 PolarHBondContact O-N 3.45Å; N203-R206 PolarHBondContact O-N 2.92Å; N203-T207 PolarHBondContact O-N 3.19Å; N203-T207 PolarHBondContact O-OG1 3.05Å
204K81.7Confident69.1Low139 Ų13965.2 Ų65.260%0.60436%0.359SS*.Hα-helixtrans-58.7-45173.2-170.2175.1-178.3179.10111.4M200 G202 T207 Q208M200-K204 WeakPolarHBondContact O-CB 3.17Å; M200-K204 PolarHBondContact O-N 3.21Å; G202-K204 VanDerWaalsContact C-N 3.31Å; G202-K204 PolarHBondContact O-N 2.76Å; K204-T207 WeakPolarHBondContact O-CB 3.42Å; K204-T207 PolarHBondContact O-N 2.88Å; K204-T207 VanDerWaalsContact O-N 3.14Å; K204-Q208 WeakPolarHBondContact O-CG 3.26Å
205Q81.6Confident67.8Low37 Ų3768.3 Ų68.317%0.17337%0.373CS..Hα-helixtrans-64.9-43176.9-72.5164.666.500113L161 P164 K201 G202 N203 T207 Q208L161-Q205 HydrophobicContact CD2-CB 4.22Å; L161-Q205 PolarHBondContact O-NE2 3.34Å; L161-Q205 PolarHBondContact O-OE1 3.01Å; P164-Q205 VanDerWaalsContact CG-OE1 3.3Å; K201-Q205 PolarHBondContact O-N 3.27Å; K201-Q205 PolarHBondContact O-NE2 2.83Å; G202-Q205 PolarHBondContact O-N 3.06Å; N203-Q205 VanDerWaalsContact C-N 3.34Å; N203-Q205 PolarHBondContact O-N 3.45Å; Q205-T207 PolarHBondContact O-N 2.86Å; Q205-Q208 PolarHBondContact O-N 2.71Å
206R79.8Confident66.5Low13 Ų1369.6 Ų69.65%0.04938%0.382CS..Hα-helixtrans-57.8-20.3173.1-168.1-174.2176.2-157.62.4112.9L161 G202 N203 T216 S217 S220 A222 D250L161-R206 HydrophobicContact CD1-CB 4.29Å; L161-R206 HydrophobicContact CD2-CB 4.11Å; G202-R206 PolarHBondContact O-N 3.15Å; N203-R206 PolarHBondContact O-N 2.92Å; R206-T216 WeakPolarHBondContact O-CG2 3.4Å; R206-S217 PolarHBondContact NH2-O 3.22Å; R206-S220 PolarHBondContact NE-OG 3.07Å; R206-S220 PolarHBondContact NH2-O 2.9Å; R206-A222 VanDerWaalsContact CZ-CB 3.5Å; R206-D250 IonicContact CZ-OD2 3.23Å; R206-D250 IonicContact NH1-OD2 2.72Å; R206-D250 PolarHBondContact NH1-OD2 3.15Å; R206-D250 IonicContact NH2-OD2 3.8Å; R206-D250 PolarHBondContact NH2-OD2 2.98Å
207T59.9Low65.7Low104 Ų10470 Ų7064%0.63839%0.387SS*.THydrogen-bonded Turntrans-95.1-6.4-175.4-520000113.4N203 K204 Q205N203-T207 PolarHBondContact O-N 3.19Å; N203-T207 PolarHBondContact O-OG1 3.05Å; K204-T207 WeakPolarHBondContact O-CB 3.42Å; K204-T207 PolarHBondContact O-N 2.88Å; K204-T207 VanDerWaalsContact O-N 3.14Å; Q205-T207 PolarHBondContact O-N 2.86Å
208Q49.8Very low64.9Low125 Ų12565.7 Ų65.758%0.58437%0.369SS*.  trans-99.78.1-161.2-87.2178.2-40.300118.1K204 Q205K204-Q208 WeakPolarHBondContact O-CG 3.26Å; Q205-Q208 PolarHBondContact O-N 2.71Å
209E48.1Very low64.3Low75 Ų7566.4 Ų66.435%0.3537%0.37SS..  trans-75.5126.1175.5-89.2-163.3-17000113.5R159 T211R159-E209 IonicContact CZ-OE1 3.59Å; R159-E209 IonicContact NH1-OE1 3.31Å; R159-E209 PolarHBondContact NH1-OE1 3.39Å; R159-E209 IonicContact NH2-OE1 3.02Å; R159-E209 PolarHBondContact NH2-OE1 3.16Å; E209-T211 PolarHBondContact O-N 2.95Å
210P41.5Very low64.2Low129 Ų12966.4 Ų66.484%0.83837%0.369SS*.  trans-84.578.5-170.534.4-37.1000113.3
211T43.3Very low64.5Low73 Ų7361.7 Ų61.745%0.44835%0.346SS..  trans-133.6119.8159.2540000111.8E209 A213 N214E209-T211 PolarHBondContact O-N 2.95Å; T211-A213 PolarHBondContact O-N 2.96Å; T211-N214 PolarHBondContact O-N 3.34Å
212A35.5Very low64.7Low122 Ų12256.5 Ų56.5100%1.00832%0.324SS*.THydrogen-bonded Turntrans-72.333.1-170.400000115.6
213A38.3Very low65.1Low60 Ų6056.6 Ų56.650%0.49632%0.324SS..THydrogen-bonded Turntrans-149.210.2-178.500000113.8T211T211-A213 PolarHBondContact O-N 2.96Å
214N44.2Very low65.7Low30 Ų3055.5 Ų55.516%0.1632%0.318CS..  trans-121.7116.1-176.7-827.7000111T211 T216 R219T211-N214 PolarHBondContact O-N 3.34Å; N214-T216 VanDerWaalsContact C-N 3.31Å; N214-T216 PolarHBondContact O-N 3.47Å; N214-T216 VanDerWaalsContact O-N 3.1Å; N214-R219 PolarHBondContact ND2-NH1 3.21Å; N214-R219 PolarHBondContact OD1-NH1 2.86Å; N214-R219 PolarHBondContact OD1-NH2 3.43Å
215Q55.6Low66.3Low131 Ų13149.5 Ų49.561%0.61229%0.293SS*.  trans-76.984.7160-176-178.456.300107.6S217 S218Q215-S217 PolarHBondContact O-N 2.88Å; Q215-S218 WeakPolarHBondContact O-CB 3.31Å; Q215-S218 PolarHBondContact O-N 2.91Å; Q215-S218 PolarHBondContact O-OG 2.96Å
216T56Low66.8Low28 Ų2847.8 Ų47.817%0.17228%0.284CS..G310 helixtrans-52.2-33.8-160.8-51.50000115.3R206 N214 S218 R219 S220R206-T216 WeakPolarHBondContact O-CG2 3.4Å; N214-T216 VanDerWaalsContact C-N 3.31Å; N214-T216 PolarHBondContact O-N 3.47Å; N214-T216 VanDerWaalsContact O-N 3.1Å; T216-S218 PolarHBondContact O-N 2.75Å; T216-S218 VanDerWaalsContact O-N 3.11Å; T216-R219 PolarHBondContact O-N 3.48Å; T216-S220 PolarHBondContact O-N 2.84Å
217S63.1Low67.5Low38 Ų3847.2 Ų47.227%0.26628%0.283SS..G310 helixtrans-57.9-23.2175.354.20000114.6R206 Q215 R219R206-S217 PolarHBondContact NH2-O 3.22Å; Q215-S217 PolarHBondContact O-N 2.88Å; S217-R219 PolarHBondContact O-N 2.95Å
218S68.9Low69Low15 Ų1542.4 Ų42.411%0.10525%0.253CS..G310 helixtrans-66.5-21173.260.20000113.9T106 Q215 T216 G253T106-S218 VanDerWaalsContact OG1-CB 3.23Å; T106-S218 WeakPolarHBondContact OG1-CB 3.36Å; Q215-S218 WeakPolarHBondContact O-CB 3.31Å; Q215-S218 PolarHBondContact O-N 2.91Å; Q215-S218 PolarHBondContact O-OG 2.96Å; T216-S218 PolarHBondContact O-N 2.75Å; T216-S218 VanDerWaalsContact O-N 3.11Å; S218-G253 PolarHBondContact O-N 3.01Å
219R76.2Confident71Confident42 Ų4240.3 Ų40.316%0.15824%0.242CC..THydrogen-bonded Turntrans-121.3-7.3-166.5-65.6-161-165.4152.720.3115.7Y154 N214 T216 S217 E269 I273Y154-R219 HydrophobicContact CE2-CB 4.37Å; N214-R219 PolarHBondContact ND2-NH1 3.21Å; N214-R219 PolarHBondContact OD1-NH1 2.86Å; N214-R219 PolarHBondContact OD1-NH2 3.43Å; T216-R219 PolarHBondContact O-N 3.48Å; S217-R219 PolarHBondContact O-N 2.95Å; R219-E269 WeakPolarHBondContact CD-OE1 3.33Å; R219-E269 IonicContact CZ-OE1 3.8Å; R219-E269 IonicContact NE-OE1 2.76Å; R219-E269 IonicContact NH1-OE1 2.7Å; R219-E269 PolarHBondContact NH1-OE1 3.11Å; R219-E269 IonicContact NH1-OE2 3.84Å; R219-I273 HydrophobicContact CB-CD1 3.57Å; R219-I273 HydrophobicContact CG-CD1 3.76Å; R219-I273 WeakPolarHBondContact O-CG1 3.37Å
220S85.1Confident72.9Confident0 Ų037.4 Ų37.40%023%0.228CC..  trans-124.3142.1176.175.70000112E152 R206 T216E152-S220 WeakPolarHBondContact OE1-CB 3.24Å; E152-S220 PolarHBondContact OE1-OG 2.95Å; R206-S220 PolarHBondContact NE-OG 3.07Å; R206-S220 PolarHBondContact NH2-O 2.9Å; T216-S220 PolarHBondContact O-N 2.84Å
221H90.4Very high74.9Confident4 Ų433.4 Ų33.42%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-86.8120.9172.6-47.5-83.2000108.6E152 I153 D250 L251 A252 S276E152-H221 CarbonylContact C-O 3.48Å; E152-H221 WeakPolarHBondContact CA-O 3.49Å; I153-H221 HydrophobicContact CB-CB 4.31Å; I153-H221 PolarHBondContact N-O 2.85Å; I153-H221 PolarHBondContact O-CD2 3.03Å; I153-H221 PolarHBondContact O-N 2.84Å; H221-D250 CarbonylContact C-O 3.53Å; H221-D250 WeakPolarHBondContact CA-O 2.99Å; H221-L251 HydrophobicContact CB-CD2 4.34Å; H221-L251 WeakPolarHBondContact ND1-CA 3.47Å; H221-L251 WeakPolarHBondContact ND1-CD2 3.18Å; H221-A252 PolarHBondContact CE1-N 3.18Å; H221-A252 PolarHBondContact ND1-N 3.38Å; H221-S276 PolarHBondContact NE2-OG 2.71Å
222A91.8Very high76.6Confident0 Ų031.5 Ų31.50%019%0.188CC..EExtended strand (participates in β ladder)trans-93.6132.5170.100000110Y150 L151 R206 I249 D250Y150-A222 HydrophobicContact CE2-CB 3.87Å; L151-A222 WeakPolarHBondContact O-CA 3.21Å; R206-A222 VanDerWaalsContact CZ-CB 3.5Å; A222-I249 WeakPolarHBondContact O-CA 3.35Å; A222-D250 HydrophobicContact CB-CB 4.45Å; A222-D250 PolarHBondContact N-O 3.33Å; A222-D250 PolarHBondContact O-N 3.15Å
223V94.1Very high78.3Confident1 Ų131.2 Ų31.21%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-123.3104.5177.8178.60000108.4Y150 L151 F247 I249 L306Y150-V223 WeakPolarHBondContact CD2-O 3.39Å; L151-V223 HydrophobicContact CD1-CB 3.71Å; L151-V223 HydrophobicContact CD1-CG2 4Å; L151-V223 HydrophobicContact CG-CB 4.02Å; L151-V223 PolarHBondContact N-O 3.42Å; L151-V223 VanDerWaalsContact N-O 3.12Å; L151-V223 PolarHBondContact O-N 3.38Å; V223-F247 HydrophobicContact CG1-CD1 3.96Å; V223-I249 HydrophobicContact CB-CG1 4.37Å; V223-I249 HydrophobicContact CG1-CD1 4.32Å; V223-I249 HydrophobicContact CG1-CG1 4.05Å; V223-I249 HydrophobicContact CG2-CD1 4.28Å; V223-I249 HydrophobicContact CG2-CG1 4.08Å; V223-I249 HydrophobicContact CG2-CG2 4.12Å; V223-L306 HydrophobicContact CG1-CD2 4.14Å; V223-L306 HydrophobicContact CG2-CD2 4.14Å
224L94.2Very high79.3Confident0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-83.4124.6166.2175.155.9000108.5Y124 L128 M148 Y150 L199 F247 M248Y124-L224 HydrophobicContact CD1-CB 4.42Å; Y124-L224 HydrophobicContact CD1-CD2 3.7Å; Y124-L224 HydrophobicContact CE1-CB 4Å; Y124-L224 HydrophobicContact CE1-CD2 4.12Å; Y124-L224 HydrophobicContact CG-CD2 4.07Å; L128-L224 HydrophobicContact CD1-CD2 4.49Å; M148-L224 HydrophobicContact CE-CD1 3.37Å; M148-L224 HydrophobicContact CG-CD1 3.8Å; M148-L224 HydrophobicContact SD-CD1 4.43Å; Y150-L224 HydrophobicContact CD2-CB 3.86Å; Y150-L224 HydrophobicContact CD2-CD1 4.33Å; Y150-L224 HydrophobicContact CE2-CB 4Å; Y150-L224 HydrophobicContact CG-CD1 4.46Å; L199-L224 HydrophobicContact CD1-CD2 4.22Å; L224-F247 CarbonylContact O-C 3.59Å; L224-F247 WeakPolarHBondContact O-CA 3.48Å; L224-M248 HydrophobicContact CB-CB 4.42Å; L224-M248 HydrophobicContact CD2-CE 3.67Å; L224-M248 HydrophobicContact CG-CE 4.11Å; L224-M248 PolarHBondContact N-O 3.46Å; L224-M248 PolarHBondContact O-N 3Å
225Q94.1Very high79.6Confident13 Ų1342 Ų426%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-116129.4175.4-178.6-164.4-93.400109.2M148 S149 E186 R245 L246 F247M148-Q225 WeakPolarHBondContact CA-O 3.35Å; S149-Q225 PolarHBondContact N-O 3.22Å; S149-Q225 PolarHBondContact O-N 2.87Å; E186-Q225 PolarHBondContact OE1-NE2 3.06Å; Q225-R245 VanDerWaalsContact OE1-CZ 3.3Å; Q225-L246 CarbonylContact C-O 3.56Å; Q225-L246 WeakPolarHBondContact CA-O 3.29Å; Q225-F247 HydrophobicContact CB-CD1 4.18Å; Q225-F247 HydrophobicContact CB-CE1 4.22Å; Q225-F247 HydrophobicContact CG-CD1 4.11Å; Q225-F247 HydrophobicContact CG-CE1 3.8Å; Q225-F247 HydrophobicContact CG-CZ 4.39Å
226V93.7Very high78.9Confident0 Ų041.9 Ų41.90%020%0.2CC..EExtended strand (participates in β ladder)trans-120.2120.8169.5-173.30000107.9L128 L131 V146 S147 V228 R245 L246 M248L128-V226 HydrophobicContact CD2-CG2 3.83Å; L131-V226 HydrophobicContact CD2-CG1 4.1Å; V146-V226 HydrophobicContact CG1-CG1 3.6Å; S147-V226 CarbonylContact O-C 3.6Å; S147-V226 WeakPolarHBondContact O-CA 3.4Å; V226-V228 HydrophobicContact CG1-CG2 4.24Å; V226-R245 WeakPolarHBondContact O-CA 3.41Å; V226-L246 HydrophobicContact CB-CB 4.3Å; V226-L246 PolarHBondContact N-O 2.86Å; V226-L246 PolarHBondContact O-N 2.9Å; V226-M248 HydrophobicContact CG2-CE 4.25Å
227A92.9Very high78.3Confident2 Ų246.9 Ų46.92%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-99.3130.5172.700000109.5V146 S147 F243 A244 R245V146-A227 WeakPolarHBondContact CA-O 3.38Å; S147-A227 PolarHBondContact N-O 2.93Å; S147-A227 PolarHBondContact O-N 3.49Å; A227-F243 HydrophobicContact CB-CE2 3.9Å; A227-F243 HydrophobicContact CB-CZ 3.93Å; A227-A244 CarbonylContact C-O 3.58Å; A227-A244 WeakPolarHBondContact CA-O 3.26Å; A227-R245 HydrophobicContact CB-CG 4.46Å
228V93.1Very high77.8Confident2 Ų251 Ų511%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-120.6115.7-179.3-177.30000108.6L92 L131 I135 Y144 V226 F243 A244L92-V228 HydrophobicContact CD2-CG2 3.76Å; L92-V228 HydrophobicContact CG-CG2 4.17Å; L131-V228 HydrophobicContact CD1-CG2 4.33Å; L131-V228 HydrophobicContact CD2-CG2 4Å; I135-V228 HydrophobicContact CD1-CG1 4.38Å; Y144-V228 HydrophobicContact CD1-CG1 4.16Å; V226-V228 HydrophobicContact CG1-CG2 4.24Å; V228-F243 WeakPolarHBondContact O-CA 3.42Å; V228-A244 PolarHBondContact N-O 3.43Å; V228-A244 PolarHBondContact O-N 2.87Å
229K90.9Very high77.2Confident82 Ų8253.2 Ų53.236%0.35726%0.258SS..EExtended strand (participates in β ladder)trans-103.2122.3172.3-174.4-166.9176.9-159.10108.9Y144 S145 V241 R242 F243Y144-K229 CarbonylContact C-O 3.59Å; Y144-K229 WeakPolarHBondContact CA-O 3.48Å; S145-K229 PolarHBondContact N-O 3.43Å; S145-K229 PolarHBondContact O-N 3.48Å; K229-V241 HydrophobicContact CD-CG1 4.21Å; K229-V241 HydrophobicContact CG-CG1 3.73Å; K229-R242 CarbonylContact C-O 3.56Å; K229-R242 WeakPolarHBondContact CA-O 3.45Å; K229-F243 HydrophobicContact CB-CD2 4.25Å
230Q88.1Confident76.9Confident13 Ų1355.1 Ų55.16%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-110.8138.2173.9-179.8-16972.300109.4I93 M142 L143 Y144 V241 R242I93-Q230 VanDerWaalsContact O-CD 3.24Å; I93-Q230 PolarHBondContact O-NE2 2.83Å; I93-Q230 PolarHBondContact O-OE1 3.16Å; M142-Q230 HydrophobicContact CB-CG 4.12Å; M142-Q230 HydrophobicContact CG-CG 4.09Å; M142-Q230 HydrophobicContact SD-CG 3.89Å; L143-Q230 CarbonylContact O-C 3.51Å; L143-Q230 WeakPolarHBondContact O-CA 3.48Å; Y144-Q230 HydrophobicContact CD1-CB 3.91Å; Y144-Q230 HydrophobicContact CD1-CG 4.15Å; Y144-Q230 HydrophobicContact CE1-CB 3.66Å; Y144-Q230 HydrophobicContact CE1-CG 3.59Å; Y144-Q230 PolarHBondContact OH-NE2 3.46Å; Q230-V241 CarbonylContact O-C 3.56Å; Q230-V241 WeakPolarHBondContact O-CA 3.43Å; Q230-R242 HydrophobicContact CB-CB 4.26Å; Q230-R242 PolarHBondContact N-O 3.1Å; Q230-R242 PolarHBondContact O-N 3.28Å
231Q84.5Confident76.7Confident46 Ų4655.3 Ų55.322%0.21527%0.269CS..EExtended strand (participates in β ladder)trans-143.4134.9177.6177170.1-4.300109.1L143 V241L143-Q231 PolarHBondContact N-O 3.41Å; L143-Q231 PolarHBondContact O-N 2.95Å; Q231-V241 HydrophobicContact CB-CG2 4.14Å; Q231-V241 HydrophobicContact CG-CG2 3.9Å
232S78.7Confident76.6Confident32 Ų3257.4 Ų57.422%0.22428%0.277CS..EExtended strand (participates in β ladder)trans-67.4141.8179.5179.70000112C234S232-C234 VanDerWaalsContact C-N 3.31Å; S232-C234 PolarHBondContact OG-N 3.16Å
233R70.1Confident76.5Confident117 Ų11760 Ų6044%0.44229%0.288SS..SBendtrans-72.3-23.4173.6-74.1169170.2-154.6-2.4112.9S139 D140 D141 M142 L143 R235S139-R233 PolarHBondContact O-NE 3.02Å; S139-R233 PolarHBondContact O-NH1 3.3Å; S139-R233 PolarHBondContact O-NH2 3.01Å; D140-R233 WeakPolarHBondContact O-CD 3.5Å; D140-R233 PolarHBondContact O-NH1 3.49Å; D141-R233 WeakPolarHBondContact O-CB 3.48Å; D141-R233 PolarHBondContact O-N 2.79Å; M142-R233 PolarHBondContact O-NE 3.4Å; L143-R233 HydrophobicContact CD2-CG 3.8Å; L143-R233 HydrophobicContact CG-CG 3.68Å; R233-R235 PolarHBondContact O-N 2.85Å
234C59.2Low76.4Confident73 Ų7359.9 Ų59.949%0.49329%0.288SS..  trans-64.7131.1177.5-60.60000110.6S232 D236 Q239S232-C234 VanDerWaalsContact C-N 3.31Å; S232-C234 PolarHBondContact OG-N 3.16Å; C234-D236 PolarHBondContact O-N 3.04Å; C234-Q239 PolarHBondContact O-NE2 2.64Å; C234-Q239 VanDerWaalsContact O-NE2 3.15Å
235R50.8Low76.3Confident243 Ų24361.5 Ų61.592%0.91729%0.294SS*.  trans-87.622178.8-71.3-171.2173.4-163.7-1.8113.5R233R233-R235 PolarHBondContact O-N 2.85Å
236D40Very low76.4Confident128 Ų12861 Ų6168%0.68429%0.292SS*.SBendtrans-76161.1175.5-87.1-54.8000112.8C234 L238C234-D236 PolarHBondContact O-N 3.04Å; D236-L238 PolarHBondContact O-N 2.86Å
237V45.2Very low76.5Confident134 Ų13462 Ų6281%0.81230%0.297SS*.SBendtrans-61.4-10.4-153.1-176.90000116
238L50.9Low76.6Confident124 Ų12462 Ų6265%0.64930%0.296SS*.  trans-129.982.5-178.3-67.3173.5000111.9D236 E240D236-L238 PolarHBondContact O-N 2.86Å; L238-E240 PolarHBondContact O-N 3.4Å
239Q57.7Low76.7Confident62 Ų6261.9 Ų61.929%0.2930%0.295SS..  trans-74.595.3171.4-70.7-162.9-17.500111.6C234 V241C234-Q239 PolarHBondContact O-NE2 2.64Å; C234-Q239 VanDerWaalsContact O-NE2 3.15Å; Q239-V241 PolarHBondContact O-N 3.11Å; Q239-V241 VanDerWaalsContact O-N 3.15Å
240E68.4Low76.8Confident82 Ų8258 Ų5838%0.38328%0.278SS..EExtended strand (participates in β ladder)trans-62108.2159.6-74.1-169.4-178.800109.7L238 R242 L354L238-E240 PolarHBondContact O-N 3.4Å; E240-R242 IonicContact OE2-CZ 3.31Å; E240-R242 VanDerWaalsContact OE2-CZ 3.28Å; E240-R242 IonicContact OE2-NE 2.74Å; E240-R242 PolarHBondContact OE2-NE 3.03Å; E240-R242 IonicContact OE2-NH2 2.67Å; E240-R242 PolarHBondContact OE2-NH2 2.91Å; E240-L354 HydrophobicContact CG-CD2 4.49Å
241V81.9Confident77Confident3 Ų357.4 Ų57.42%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-90.2126.2160.7-1800000107.8K229 Q230 Q231 Q239 L354 I355 V357K229-V241 HydrophobicContact CD-CG1 4.21Å; K229-V241 HydrophobicContact CG-CG1 3.73Å; Q230-V241 CarbonylContact O-C 3.56Å; Q230-V241 WeakPolarHBondContact O-CA 3.43Å; Q231-V241 HydrophobicContact CB-CG2 4.14Å; Q231-V241 HydrophobicContact CG-CG2 3.9Å; Q239-V241 PolarHBondContact O-N 3.11Å; Q239-V241 VanDerWaalsContact O-N 3.15Å; V241-L354 CarbonylContact O-C 3.56Å; V241-I355 HydrophobicContact CB-CB 4.31Å; V241-I355 WeakPolarHBondContact CB-O 3.25Å; V241-I355 HydrophobicContact CG1-CB 4.35Å; V241-I355 CarbonylContact O-C 3.58Å; V241-I355 WeakPolarHBondContact O-CA 3.35Å; V241-I355 PolarHBondContact O-N 3.3Å; V241-V357 HydrophobicContact CB-CG2 4.43Å; V241-V357 HydrophobicContact CG2-CG2 3.77Å
242R87.2Confident77.2Confident49 Ų4955.2 Ų55.219%0.18527%0.265CS..EExtended strand (participates in β ladder)trans-105.1146.6175.5-69.5143.4-174.9-170.54.6109.5K229 Q230 E240 N353 L354K229-R242 CarbonylContact C-O 3.56Å; K229-R242 WeakPolarHBondContact CA-O 3.45Å; Q230-R242 HydrophobicContact CB-CB 4.26Å; Q230-R242 PolarHBondContact N-O 3.1Å; Q230-R242 PolarHBondContact O-N 3.28Å; E240-R242 IonicContact OE2-CZ 3.31Å; E240-R242 VanDerWaalsContact OE2-CZ 3.28Å; E240-R242 IonicContact OE2-NE 2.74Å; E240-R242 PolarHBondContact OE2-NE 3.03Å; E240-R242 IonicContact OE2-NH2 2.67Å; E240-R242 PolarHBondContact OE2-NH2 2.91Å; R242-N353 WeakPolarHBondContact CA-O 3.25Å; R242-L354 HydrophobicContact CG-CD2 3.52Å
243F89.9Confident77.6Confident53 Ų5353.8 Ų53.823%0.23226%0.256CS..EExtended strand (participates in β ladder)trans-144.6113.2-177.2179.1-98.5000112.3A227 V228 K229 R245 N353 I355A227-F243 HydrophobicContact CB-CE2 3.9Å; A227-F243 HydrophobicContact CB-CZ 3.93Å; V228-F243 WeakPolarHBondContact O-CA 3.42Å; K229-F243 HydrophobicContact CB-CD2 4.25Å; F243-R245 HydrophobicContact CE1-CG 3.84Å; F243-R245 HydrophobicContact CZ-CG 4.06Å; F243-N353 PolarHBondContact N-O 3.45Å; F243-N353 VanDerWaalsContact N-O 3.09Å; F243-N353 WeakPolarHBondContact O-CB 3.3Å; F243-N353 PolarHBondContact O-ND2 2.78Å; F243-N353 VanDerWaalsContact O-ND2 3.11Å; F243-I355 HydrophobicContact CB-CD1 3.44Å; F243-I355 VanDerWaalsContact CB-CD1 3.44Å; F243-I355 HydrophobicContact CB-CG1 3.85Å; F243-I355 HydrophobicContact CD1-CD1 4.34Å; F243-I355 HydrophobicContact CD2-CD1 4.4Å; F243-I355 HydrophobicContact CG-CD1 3.82Å
244A92.5Very high78.3Confident0 Ų049 Ų490%024%0.24CC..EExtended strand (participates in β ladder)trans-114149.1176.600000111.7L92 Y96 A227 V228L92-A244 HydrophobicContact CD1-CB 3.62Å; L92-A244 HydrophobicContact CG-CB 4.01Å; L92-A244 WeakPolarHBondContact O-CB 3.47Å; Y96-A244 WeakPolarHBondContact O-CB 3.4Å; A227-A244 CarbonylContact C-O 3.58Å; A227-A244 WeakPolarHBondContact CA-O 3.26Å; V228-A244 PolarHBondContact N-O 3.43Å; V228-A244 PolarHBondContact O-N 2.87Å
245R92.7Very high79.2Confident33 Ų3347.9 Ų47.913%0.12523%0.228CC..EExtended strand (participates in β ladder)trans-112.7126.8164.1-63.6173.498.294.7-10.3108.7N97 A98 E186 Q225 V226 A227 F243 F247N97-R245 WeakPolarHBondContact CA-O 3.41Å; N97-R245 PolarHBondContact OD1-N 3.38Å; A98-R245 PolarHBondContact N-O 3.33Å; E186-R245 IonicContact OE1-NH1 2.71Å; E186-R245 IonicContact OE1-NH2 3.1Å; E186-R245 PolarHBondContact OE1-NH2 3.41Å; Q225-R245 VanDerWaalsContact OE1-CZ 3.3Å; V226-R245 WeakPolarHBondContact O-CA 3.41Å; A227-R245 HydrophobicContact CB-CG 4.46Å; F243-R245 HydrophobicContact CE1-CG 3.84Å; F243-R245 HydrophobicContact CZ-CG 4.06Å; R245-F247 HydrophobicContact CB-CD2 4.34Å; R245-F247 HydrophobicContact CB-CE2 3.74Å; R245-F247 HydrophobicContact CB-CZ 4.18Å
246L95Very high80.1Confident2 Ų242.4 Ų42.41%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-95.5124.2163.917359.2000107.9L92 A98 T127 Q225 V226 M248L92-L246 HydrophobicContact CD1-CB 3.64Å; L92-L246 HydrophobicContact CD2-CB 3.73Å; L92-L246 HydrophobicContact CD2-CD2 4.04Å; L92-L246 HydrophobicContact CD2-CG 4.47Å; L92-L246 HydrophobicContact CG-CB 4.36Å; A98-L246 HydrophobicContact CB-CD1 3.86Å; A98-L246 CarbonylContact O-C 3.59Å; A98-L246 VanDerWaalsContact O-CA 3.3Å; A98-L246 WeakPolarHBondContact O-CA 3.12Å; T127-L246 HydrophobicContact CG2-CD2 3.75Å; Q225-L246 CarbonylContact C-O 3.56Å; Q225-L246 WeakPolarHBondContact CA-O 3.29Å; V226-L246 HydrophobicContact CB-CB 4.3Å; V226-L246 PolarHBondContact N-O 2.86Å; V226-L246 PolarHBondContact O-N 2.9Å; L246-M248 HydrophobicContact CD1-CG 3.93Å; L246-M248 HydrophobicContact CD2-CE 3.67Å; L246-M248 HydrophobicContact CD2-CG 4.16Å; L246-M248 HydrophobicContact CD2-SD 3.94Å; L246-M248 HydrophobicContact CG-CE 4.19Å; L246-M248 HydrophobicContact CG-CG 3.91Å; L246-M248 HydrophobicContact CG-SD 4.37Å
247F95.7Very high81.1Confident23 Ų2337.4 Ų37.410%0.10118%0.183CC..EExtended strand (participates in β ladder)trans-107.9125.6167.7-64.3-84.7000109.1A98 T99 V100 V223 L224 Q225 R245 I249 L306A98-F247 PolarHBondContact O-N 3.45Å; T99-F247 CarbonylContact C-O 3.6Å; T99-F247 VanDerWaalsContact CA-O 3.32Å; T99-F247 WeakPolarHBondContact CA-O 3.4Å; T99-F247 HydrophobicContact CG2-CB 4.08Å; V100-F247 PolarHBondContact N-O 2.96Å; V223-F247 HydrophobicContact CG1-CD1 3.96Å; L224-F247 CarbonylContact O-C 3.59Å; L224-F247 WeakPolarHBondContact O-CA 3.48Å; Q225-F247 HydrophobicContact CB-CD1 4.18Å; Q225-F247 HydrophobicContact CB-CE1 4.22Å; Q225-F247 HydrophobicContact CG-CD1 4.11Å; Q225-F247 HydrophobicContact CG-CE1 3.8Å; Q225-F247 HydrophobicContact CG-CZ 4.39Å; R245-F247 HydrophobicContact CB-CD2 4.34Å; R245-F247 HydrophobicContact CB-CE2 3.74Å; R245-F247 HydrophobicContact CB-CZ 4.18Å; F247-I249 HydrophobicContact CB-CD1 4.24Å; F247-I249 HydrophobicContact CB-CG1 4.4Å; F247-L306 HydrophobicContact CE1-CD1 4.39Å
248M95.6Very high81.7Confident0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-121.6122172.9-65.4-179.4-77.100108.2V100 M114 I123 Y124 T127 L128 L224 V226 L246V100-M248 CarbonylContact O-C 3.58Å; V100-M248 WeakPolarHBondContact O-CA 3.4Å; M114-M248 HydrophobicContact CE-CB 3.87Å; I123-M248 HydrophobicContact CG2-SD 4.29Å; Y124-M248 HydrophobicContact CD1-CB 3.66Å; Y124-M248 HydrophobicContact CD1-CE 4.3Å; Y124-M248 HydrophobicContact CD1-CG 4.46Å; Y124-M248 HydrophobicContact CD1-SD 4.04Å; Y124-M248 HydrophobicContact CE1-CB 3.53Å; T127-M248 HydrophobicContact CG2-SD 4.01Å; L128-M248 HydrophobicContact CD2-CE 4.41Å; L128-M248 HydrophobicContact CG-CE 4.39Å; L224-M248 HydrophobicContact CB-CB 4.42Å; L224-M248 HydrophobicContact CD2-CE 3.67Å; L224-M248 HydrophobicContact CG-CE 4.11Å; L224-M248 PolarHBondContact N-O 3.46Å; L224-M248 PolarHBondContact O-N 3Å; V226-M248 HydrophobicContact CG2-CE 4.25Å; L246-M248 HydrophobicContact CD1-CG 3.93Å; L246-M248 HydrophobicContact CD2-CE 3.67Å; L246-M248 HydrophobicContact CD2-CG 4.16Å; L246-M248 HydrophobicContact CD2-SD 3.94Å; L246-M248 HydrophobicContact CG-CE 4.19Å; L246-M248 HydrophobicContact CG-CG 3.91Å; L246-M248 HydrophobicContact CG-SD 4.37Å
249I95.5Very high82.1Confident1 Ų135.1 Ų35.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-130.9126.2-161.2-56.1176.5000111.7T99 V100 F101 A102 A222 V223 F247 L251 L307T99-I249 HydrophobicContact CG2-CD1 4.31Å; V100-I249 PolarHBondContact O-N 3.14Å; F101-I249 WeakPolarHBondContact CA-O 3.37Å; F101-I249 HydrophobicContact CB-CB 3.84Å; F101-I249 HydrophobicContact CB-CG2 4.33Å; A102-I249 PolarHBondContact N-O 2.93Å; A222-I249 WeakPolarHBondContact O-CA 3.35Å; V223-I249 HydrophobicContact CB-CG1 4.37Å; V223-I249 HydrophobicContact CG1-CD1 4.32Å; V223-I249 HydrophobicContact CG1-CG1 4.05Å; V223-I249 HydrophobicContact CG2-CD1 4.28Å; V223-I249 HydrophobicContact CG2-CG1 4.08Å; V223-I249 HydrophobicContact CG2-CG2 4.12Å; F247-I249 HydrophobicContact CB-CD1 4.24Å; F247-I249 HydrophobicContact CB-CG1 4.4Å; I249-L251 HydrophobicContact CG2-CD2 3.51Å; I249-L251 HydrophobicContact CG2-CG 3.98Å; I249-L307 HydrophobicContact CD1-CD2 3.61Å; I249-L307 HydrophobicContact CD1-CG 4.47Å
250D93.7Very high82.3Confident0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-104.699.2169.6-179.347.3000108.1K110 T111 M114 R206 H221 A222K110-D250 WeakPolarHBondContact CB-OD1 3.41Å; T111-D250 WeakPolarHBondContact CA-OD1 3.38Å; T111-D250 PolarHBondContact N-OD1 2.66Å; T111-D250 PolarHBondContact OG1-OD1 3.45Å; T111-D250 PolarHBondContact OG1-OD2 3.44Å; M114-D250 HydrophobicContact CB-CB 4.27Å; M114-D250 HydrophobicContact CG-CB 4.11Å; R206-D250 IonicContact CZ-OD2 3.23Å; R206-D250 IonicContact NH1-OD2 2.72Å; R206-D250 PolarHBondContact NH1-OD2 3.15Å; R206-D250 IonicContact NH2-OD2 3.8Å; R206-D250 PolarHBondContact NH2-OD2 2.98Å; H221-D250 CarbonylContact C-O 3.53Å; H221-D250 WeakPolarHBondContact CA-O 2.99Å; A222-D250 HydrophobicContact CB-CB 4.45Å; A222-D250 PolarHBondContact N-O 3.33Å; A222-D250 PolarHBondContact O-N 3.15Å
251L91.8Very high81.8Confident0 Ų039 Ų390%020%0.2CC..PPolyproline II helixtrans-73.2161-178-61.7175.3000111.7F101 A102 Y103 K110 H221 I249 L277 L280 L303F101-L251 HydrophobicContact CD2-CD1 3.78Å; F101-L251 HydrophobicContact CE2-CD1 4.45Å; A102-L251 VanDerWaalsContact O-CB 3.31Å; A102-L251 WeakPolarHBondContact O-CB 3.48Å; A102-L251 WeakPolarHBondContact O-CG 3.47Å; A102-L251 PolarHBondContact O-N 3.09Å; Y103-L251 HydrophobicContact CD2-CD1 3.96Å; K110-L251 WeakPolarHBondContact CE-O 3.13Å; H221-L251 HydrophobicContact CB-CD2 4.34Å; H221-L251 WeakPolarHBondContact ND1-CA 3.47Å; H221-L251 WeakPolarHBondContact ND1-CD2 3.18Å; I249-L251 HydrophobicContact CG2-CD2 3.51Å; I249-L251 HydrophobicContact CG2-CG 3.98Å; L251-L277 HydrophobicContact CD1-CD2 4.36Å; L251-L280 HydrophobicContact CD1-CD2 3.98Å; L251-L303 HydrophobicContact CD2-CD1 3.98Å; L251-L303 HydrophobicContact CD2-CD2 3.89Å
252A88.4Confident80.9Confident0 Ų040.3 Ų40.30%021%0.207CC..PPolyproline II helixtrans-64.3170.4167.900000112.6K110 H221 I273K110-A252 WeakPolarHBondContact CE-O 3.29Å; H221-A252 PolarHBondContact CE1-N 3.18Å; H221-A252 PolarHBondContact ND1-N 3.38Å; A252-I273 HydrophobicContact CB-CG2 3.81Å
253G86.6Confident79.9Confident2 Ų247.9 Ų47.92%0.02124%0.236CC..PPolyproline II helixtrans-60.3135.4173.800000113.8T106 S218 E255 L277T106-G253 WeakPolarHBondContact OG1-CA 3.28Å; S218-G253 PolarHBondContact O-N 3.01Å; G253-E255 WeakPolarHBondContact CA-OE2 3.22Å; G253-L277 WeakPolarHBondContact O-CD1 3.36Å
254S85.4Confident79.1Confident17 Ų1748 Ų4812%0.11925%0.252CS..  trans-87.4-2.1177.163.90000114.6G104G104-S254 PolarHBondContact O-N 2.99Å; G104-S254 PolarHBondContact O-OG 3.06Å
255E78.3Confident77.8Confident49 Ų4956 Ų5623%0.22929%0.29CS..SBendtrans-64.1153.617863.5-80.5-17700113.3P105 T106 G253P105-E255 WeakPolarHBondContact CA-OE2 3.22Å; T106-E255 WeakPolarHBondContact CB-OE1 3.34Å; T106-E255 PolarHBondContact N-OE2 3.48Å; T106-E255 PolarHBondContact OG1-OE1 3.11Å; T106-E255 PolarHBondContact OG1-OE2 3Å; G253-E255 WeakPolarHBondContact CA-OE2 3.22Å
256R69.5Low76.6Confident128 Ų12859.1 Ų59.148%0.48330%0.301SS..  trans-85.4128.1-170.5-56.3-175.9-171.1-166.14.1110.3A258 Q259 E332 N335R256-A258 PolarHBondContact O-N 3.1Å; R256-Q259 VanDerWaalsContact N-OE1 3.09Å; R256-Q259 WeakPolarHBondContact O-CB 3.4Å; R256-Q259 PolarHBondContact O-N 2.8Å; R256-Q259 PolarHBondContact O-OE1 3.2Å; R256-E332 IonicContact NE-OE1 2.76Å; R256-N335 PolarHBondContact NH2-ND2 2.97Å; R256-N335 VanDerWaalsContact NH2-ND2 3.1Å; R256-N335 PolarHBondContact NH2-OD1 2.99Å; R256-N335 VanDerWaalsContact NH2-OD1 3.12Å
257A61.5Low75.5Confident23 Ų2363.7 Ų63.719%0.1933%0.325CS..G310 helixtrans-53.3-24.9177.500000114.1Q259 T260A257-Q259 VanDerWaalsContact C-N 3.29Å; A257-Q259 PolarHBondContact O-N 2.98Å; A257-T260 PolarHBondContact O-N 2.9Å; A257-T260 VanDerWaalsContact O-N 3.07Å; A257-T260 PolarHBondContact O-OG1 3.37Å
258A58.3Low74.3Confident103 Ų10369.8 Ų69.885%0.85135%0.351SS*.G310 helixtrans-66.3-21.5175.400000115.1R256 T260R256-A258 PolarHBondContact O-N 3.1Å; A258-T260 VanDerWaalsContact C-N 3.32Å
259Q58.3Low73.1Confident108 Ų10870.6 Ų70.651%0.50536%0.355SS..G310 helixtrans-77.5-21.5171-70.7148.2-22.700111.7R256 A257 E332R256-Q259 VanDerWaalsContact N-OE1 3.09Å; R256-Q259 WeakPolarHBondContact O-CB 3.4Å; R256-Q259 PolarHBondContact O-N 2.8Å; R256-Q259 PolarHBondContact O-OE1 3.2Å; A257-Q259 VanDerWaalsContact C-N 3.29Å; A257-Q259 PolarHBondContact O-N 2.98Å; Q259-E332 PolarHBondContact NE2-OE1 3.13Å; Q259-E332 PolarHBondContact OE1-OE1 3.41Å
260T61.3Low71.9Confident53 Ų5371 Ų7133%0.32536%0.36SS..SBendtrans-88.8134.4-177.272.30000111.2A257 A258 N262A257-T260 PolarHBondContact O-N 2.9Å; A257-T260 VanDerWaalsContact O-N 3.07Å; A257-T260 PolarHBondContact O-OG1 3.37Å; A258-T260 VanDerWaalsContact C-N 3.32Å; T260-N262 VanDerWaalsContact CB-ND2 3.28Å; T260-N262 WeakPolarHBondContact CB-ND2 3.18Å; T260-N262 PolarHBondContact O-N 2.89Å; T260-N262 PolarHBondContact OG1-ND2 2.77Å
261Q59.5Low70.9Confident172 Ų17273.7 Ų73.780%0.80438%0.382SS*.  trans-7435.3175.8-68.4-68-18.800113.1R263Q261-R263 PolarHBondContact O-N 3.46Å
262N63.1Low70.1Confident31 Ų3176.8 Ų76.817%0.16640%0.396CS..  trans-80.5117.8-173.8-82-40.7000111.6T260 R266T260-N262 VanDerWaalsContact CB-ND2 3.28Å; T260-N262 WeakPolarHBondContact CB-ND2 3.18Å; T260-N262 PolarHBondContact O-N 2.89Å; T260-N262 PolarHBondContact OG1-ND2 2.77Å; N262-R266 HydrophobicContact CB-CB 3.84Å; N262-R266 WeakPolarHBondContact OD1-CB 3.45Å; N262-R266 VanDerWaalsContact OD1-CD 3.24Å; N262-R266 WeakPolarHBondContact OD1-CD 3.28Å
263R65.8Low69.3Low207 Ų20777.4 Ų77.478%0.78140%0.4SS*.  trans-110.5161174.3-62.1-174.4-178.8-169.30.8111.1Q261 Q265 R266Q261-R263 PolarHBondContact O-N 3.46Å; R263-Q265 PolarHBondContact O-N 2.67Å; R263-R266 PolarHBondContact O-N 3.1Å
264G73.3Confident68.9Low56 Ų5679.8 Ų79.858%0.57741%0.412SS*.THydrogen-bonded Turntrans62.1-128.4173.500000113.4R266 L267G264-R266 VanDerWaalsContact C-N 3.32Å; G264-R266 PolarHBondContact O-N 2.95Å; G264-L267 WeakPolarHBondContact O-CB 3.45Å; G264-L267 PolarHBondContact O-N 3.16Å; G264-L267 VanDerWaalsContact O-N 3.15Å
265Q64.8Low68.9Low169 Ų16984.4 Ų84.479%0.7943%0.427SS*.Hα-helixtrans-63.1-35.6-175.5-169.2160.8-16.700112.9R263 L267 K268 E269R263-Q265 PolarHBondContact O-N 2.67Å; Q265-L267 PolarHBondContact O-N 2.79Å; Q265-K268 WeakPolarHBondContact O-CB 3.43Å; Q265-K268 PolarHBondContact O-N 2.89Å; Q265-K268 VanDerWaalsContact O-N 3.11Å; Q265-E269 WeakPolarHBondContact O-CB 3.14Å; Q265-E269 PolarHBondContact O-N 3.41Å
266R67.3Low69.3Low98 Ų9882.2 Ų82.237%0.3742%0.417SS..Hα-helixtrans-64.1-26176.1-64-174.2-178170.81.5113.5N262 R263 G264 G270N262-R266 HydrophobicContact CB-CB 3.84Å; N262-R266 WeakPolarHBondContact OD1-CB 3.45Å; N262-R266 VanDerWaalsContact OD1-CD 3.24Å; N262-R266 WeakPolarHBondContact OD1-CD 3.28Å; R263-R266 PolarHBondContact O-N 3.1Å; G264-R266 VanDerWaalsContact C-N 3.32Å; G264-R266 PolarHBondContact O-N 2.95Å; R266-G270 PolarHBondContact O-N 3.36Å
267L71.7Confident70.2Confident97 Ų9776.7 Ų76.751%0.50840%0.397SS..Hα-helixtrans-72.3-37.7174.4-175.461.5000111.4G264 Q265 A271G264-L267 WeakPolarHBondContact O-CB 3.45Å; G264-L267 PolarHBondContact O-N 3.16Å; G264-L267 VanDerWaalsContact O-N 3.15Å; Q265-L267 PolarHBondContact O-N 2.79Å; L267-A271 WeakPolarHBondContact O-CB 3.44Å; L267-A271 PolarHBondContact O-N 3.47Å
268K70.5Confident71.5Confident151 Ų15181 Ų8166%0.65742%0.416SS*.Hα-helixtrans-67.2-48.5174.2-63-176.7178.2-179.10110.6Q265 G270 A271 H272Q265-K268 WeakPolarHBondContact O-CB 3.43Å; Q265-K268 PolarHBondContact O-N 2.89Å; Q265-K268 VanDerWaalsContact O-N 3.11Å; K268-G270 PolarHBondContact O-N 2.99Å; K268-A271 WeakPolarHBondContact O-CB 3.34Å; K268-A271 PolarHBondContact O-N 3.29Å; K268-A271 VanDerWaalsContact O-N 3.11Å; K268-H272 PolarHBondContact O-CD2 3.1Å; K268-H272 PolarHBondContact O-N 3.23Å
269E69.9Low73.1Confident18 Ų1876.2 Ų76.28%0.08438%0.376CS..Hα-helixtrans-51.1-54.6173.4-176.1-163.7148.400111.3Y154 R219 Q265 A271 H272 I273Y154-E269 HydrophobicContact CE2-CG 4.05Å; R219-E269 WeakPolarHBondContact CD-OE1 3.33Å; R219-E269 IonicContact CZ-OE1 3.8Å; R219-E269 IonicContact NE-OE1 2.76Å; R219-E269 IonicContact NH1-OE1 2.7Å; R219-E269 PolarHBondContact NH1-OE1 3.11Å; R219-E269 IonicContact NH1-OE2 3.84Å; Q265-E269 WeakPolarHBondContact O-CB 3.14Å; Q265-E269 PolarHBondContact O-N 3.41Å; E269-A271 VanDerWaalsContact C-N 3.28Å; E269-A271 PolarHBondContact O-N 2.88Å; E269-H272 PolarHBondContact O-N 3.16Å; E269-H272 VanDerWaalsContact O-N 3.09Å; E269-I273 HydrophobicContact CG-CD1 4.19Å; E269-I273 WeakPolarHBondContact O-CG1 3.28Å; E269-I273 PolarHBondContact O-N 2.96Å
270G70.7Confident74.7Confident10 Ų1071 Ų7110%0.10335%0.352CS..Hα-helixtrans-57.8-35.617600000114R266 K268 N274R266-G270 PolarHBondContact O-N 3.36Å; K268-G270 PolarHBondContact O-N 2.99Å; G270-N274 WeakPolarHBondContact O-CB 3.45Å; G270-N274 PolarHBondContact O-N 3.26Å; G270-N274 PolarHBondContact O-ND2 2.85Å
271A73.3Confident76Confident56 Ų5668.9 Ų68.946%0.46334%0.34SS..Hα-helixtrans-70.5-35.9175.200000113.1L267 K268 E269 R275L267-A271 WeakPolarHBondContact O-CB 3.44Å; L267-A271 PolarHBondContact O-N 3.47Å; K268-A271 WeakPolarHBondContact O-CB 3.34Å; K268-A271 PolarHBondContact O-N 3.29Å; K268-A271 VanDerWaalsContact O-N 3.11Å; E269-A271 VanDerWaalsContact C-N 3.28Å; E269-A271 PolarHBondContact O-N 2.88Å; A271-R275 WeakPolarHBondContact O-CB 3.34Å; A271-R275 PolarHBondContact O-N 2.88Å
272H73.8Confident77.5Confident65 Ų6564.2 Ų64.230%0.30132%0.321SS..Hα-helixtrans-70.1-39.1174.1-77.7-79000112.4N155 K268 E269 R275 S276N155-H272 VanDerWaalsContact OD1-CB 3.27Å; N155-H272 WeakPolarHBondContact OD1-CB 3.32Å; N155-H272 PolarHBondContact OD1-CD2 3.15Å; N155-H272 VanDerWaalsContact OD1-CG 3.28Å; K268-H272 PolarHBondContact O-CD2 3.1Å; K268-H272 PolarHBondContact O-N 3.23Å; E269-H272 PolarHBondContact O-N 3.16Å; E269-H272 VanDerWaalsContact O-N 3.09Å; H272-R275 PolarHBondContact O-N 2.81Å; H272-S276 PolarHBondContact O-N 3.01Å
273I72.5Confident78.9Confident13 Ų1362.8 Ų62.87%0.06731%0.313CS..Hα-helixtrans-61-52.4172.9-61.9160.5000109.4R219 A252 E269 R275 S276 L277R219-I273 HydrophobicContact CB-CD1 3.57Å; R219-I273 HydrophobicContact CG-CD1 3.76Å; R219-I273 WeakPolarHBondContact O-CG1 3.37Å; A252-I273 HydrophobicContact CB-CG2 3.81Å; E269-I273 HydrophobicContact CG-CD1 4.19Å; E269-I273 WeakPolarHBondContact O-CG1 3.28Å; E269-I273 PolarHBondContact O-N 2.96Å; I273-R275 VanDerWaalsContact C-N 3.31Å; I273-R275 PolarHBondContact O-N 3.2Å; I273-S276 PolarHBondContact O-N 3.48Å; I273-S276 VanDerWaalsContact O-N 3.1Å; I273-S276 PolarHBondContact O-OG 3.2Å; I273-L277 PolarHBondContact O-N 2.76Å
274N77.6Confident80Confident52 Ų5253 Ų5328%0.27828%0.276SS..Hα-helixtrans-61.2-35.6177.8-86.8-102.2000112.5G270 S276 L277 L278G270-N274 WeakPolarHBondContact O-CB 3.45Å; G270-N274 PolarHBondContact O-N 3.26Å; G270-N274 PolarHBondContact O-ND2 2.85Å; N274-S276 VanDerWaalsContact C-N 3.33Å; N274-S276 PolarHBondContact O-N 2.71Å; N274-L277 PolarHBondContact O-N 3.38Å; N274-L278 WeakPolarHBondContact O-CB 3.42Å; N274-L278 PolarHBondContact O-N 3.01Å
275R85.1Confident80.8Confident113 Ų11352.9 Ų52.943%0.42626%0.263SS..Hα-helixtrans-57.1-44.2173.2165.6175.9150-165.7-15.8112E156 A271 H272 I273 L278 A279 D300E156-R275 IonicContact OE2-CZ 3.97Å; E156-R275 IonicContact OE2-NE 3.16Å; E156-R275 IonicContact OE2-NH2 2.71Å; E156-R275 PolarHBondContact OE2-NH2 3.14Å; A271-R275 WeakPolarHBondContact O-CB 3.34Å; A271-R275 PolarHBondContact O-N 2.88Å; H272-R275 PolarHBondContact O-N 2.81Å; I273-R275 VanDerWaalsContact C-N 3.31Å; I273-R275 PolarHBondContact O-N 3.2Å; R275-L278 PolarHBondContact O-N 3.02Å; R275-A279 VanDerWaalsContact O-CB 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.5Å; R275-A279 PolarHBondContact O-N 2.91Å; R275-D300 PolarHBondContact NE-O 3.02Å
276S88.6Confident82Confident3 Ų346 Ų462%0.02123%0.234CC..Hα-helixtrans-65.5-41.3-178.667.30000112.9H221 H272 I273 N274 L280H221-S276 PolarHBondContact NE2-OG 2.71Å; H272-S276 PolarHBondContact O-N 3.01Å; I273-S276 PolarHBondContact O-N 3.48Å; I273-S276 VanDerWaalsContact O-N 3.1Å; I273-S276 PolarHBondContact O-OG 3.2Å; N274-S276 VanDerWaalsContact C-N 3.33Å; N274-S276 PolarHBondContact O-N 2.71Å; S276-L280 WeakPolarHBondContact O-CB 3.5Å; S276-L280 PolarHBondContact O-N 3.45Å
277L87.9Confident83Confident13 Ų1343.3 Ų43.37%0.06823%0.228CC..Hα-helixtrans-78.6-29.4177.6-65.8-179.8000113.2Y103 L251 G253 I273 N274 L280 G281 L303Y103-L277 HydrophobicContact CE2-CD2 4.34Å; L251-L277 HydrophobicContact CD1-CD2 4.36Å; G253-L277 WeakPolarHBondContact O-CD1 3.36Å; I273-L277 PolarHBondContact O-N 2.76Å; N274-L277 PolarHBondContact O-N 3.38Å; L277-L280 HydrophobicContact CD2-CD2 4.12Å; L277-L280 PolarHBondContact O-N 3.26Å; L277-G281 PolarHBondContact O-N 2.97Å; L277-L303 HydrophobicContact CD2-CD2 4.45Å
278L88.7Confident83.7Confident112 Ų11239.8 Ų39.859%0.58621%0.211SC*.Hα-helixtrans-67.3-43.3170.5179.162000111.1N274 R275 L280 G281 N282N274-L278 WeakPolarHBondContact O-CB 3.42Å; N274-L278 PolarHBondContact O-N 3.01Å; R275-L278 PolarHBondContact O-N 3.02Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 3.31Å; L278-G281 PolarHBondContact O-N 3Å; L278-N282 WeakPolarHBondContact O-CB 3.44Å; L278-N282 PolarHBondContact O-N 3.45Å; L278-N282 PolarHBondContact O-ND2 3.01Å
279A91.1Very high84.2Confident3 Ų335.7 Ų35.73%0.02520%0.196CC..Hα-helixtrans-59.3-43.9171.800000111R275 G281 N282 C283 D300 T304R275-A279 VanDerWaalsContact O-CB 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.5Å; R275-A279 PolarHBondContact O-N 2.91Å; A279-G281 PolarHBondContact O-N 3.26Å; A279-N282 PolarHBondContact O-N 2.63Å; A279-C283 PolarHBondContact O-N 3.08Å; A279-C283 PolarHBondContact O-SG 3.09Å; A279-D300 HydrophobicContact CB-CB 3.77Å; A279-T304 VanDerWaalsContact C-CG2 3.49Å; A279-T304 HydrophobicContact CB-CG2 3.82Å
280L91.7Very high84Confident0 Ų044.1 Ų44.10%023%0.232CC..Hα-helixtrans-60.6-45.1175.9-169.368.1000111.5L251 S276 L277 L278 C283 I284 T304 L307 L311 Y339L251-L280 HydrophobicContact CD1-CD2 3.98Å; S276-L280 WeakPolarHBondContact O-CB 3.5Å; S276-L280 PolarHBondContact O-N 3.45Å; L277-L280 HydrophobicContact CD2-CD2 4.12Å; L277-L280 PolarHBondContact O-N 3.26Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 3.31Å; L280-C283 PolarHBondContact O-N 3.48Å; L280-I284 HydrophobicContact CG-CD1 4.43Å; L280-I284 PolarHBondContact O-N 2.97Å; L280-T304 HydrophobicContact CB-CG2 4.07Å; L280-T304 HydrophobicContact CD1-CG2 4.13Å; L280-T304 VanDerWaalsContact N-CG2 3.34Å; L280-L307 HydrophobicContact CD1-CD1 3.64Å; L280-L311 HydrophobicContact CD1-CD1 3.59Å; L280-Y339 WeakPolarHBondContact CD2-OH 3.34Å; L280-Y339 VanDerWaalsContact CG-OH 3.28Å; L280-Y339 WeakPolarHBondContact CG-OH 3.44Å
281G89.8Confident83.8Confident7 Ų750.3 Ų50.37%0.07226%0.263CS..Hα-helixtrans-63.1-39.1174.600000113.3L277 L278 A279 I284 N285 Y339L277-G281 PolarHBondContact O-N 2.97Å; L278-G281 PolarHBondContact O-N 3Å; A279-G281 PolarHBondContact O-N 3.26Å; G281-I284 PolarHBondContact O-N 3.08Å; G281-N285 WeakPolarHBondContact O-CB 3.42Å; G281-N285 PolarHBondContact O-N 2.91Å; G281-N285 PolarHBondContact O-ND2 3.17Å; G281-Y339 PolarHBondContact N-OH 2.95Å
282N91.2Very high83Confident74 Ų7450.9 Ų50.940%0.39627%0.274SS..Hα-helixtrans-63.9-41.2174.3-71.3-16.2000111.5L278 A279 A286L278-N282 WeakPolarHBondContact O-CB 3.44Å; L278-N282 PolarHBondContact O-N 3.45Å; L278-N282 PolarHBondContact O-ND2 3.01Å; A279-N282 PolarHBondContact O-N 2.63Å; N282-A286 WeakPolarHBondContact O-CB 2.77Å; N282-A286 PolarHBondContact O-N 3Å
283C91.5Very high82.2Confident1 Ų155.7 Ų55.71%0.00730%0.302CS..Hα-helixtrans-63.1-48.7174.4-64.10000111.3A279 L280 N285 A286 L287 V296 Y298A279-C283 PolarHBondContact O-N 3.08Å; A279-C283 PolarHBondContact O-SG 3.09Å; L280-C283 PolarHBondContact O-N 3.48Å; C283-N285 PolarHBondContact O-N 3.03Å; C283-A286 PolarHBondContact O-N 3.5Å; C283-L287 WeakPolarHBondContact O-CB 3.49Å; C283-L287 WeakPolarHBondContact O-CD1 3.25Å; C283-L287 VanDerWaalsContact O-CG 3.26Å; C283-L287 WeakPolarHBondContact O-CG 3.34Å; C283-L287 PolarHBondContact O-N 2.92Å; C283-V296 HydrophobicContact CB-CG1 3.91Å; C283-Y298 HydrophobicContact CB-CE1 4.42Å
284I90.2Very high82Confident1 Ų160.9 Ų60.91%0.00532%0.324CS..Hα-helixtrans-61.5-44.9178.5-77176.4000111.5L280 G281 A286 L287 S288 L311 Y339 R342 A343 I346L280-I284 HydrophobicContact CG-CD1 4.43Å; L280-I284 PolarHBondContact O-N 2.97Å; G281-I284 PolarHBondContact O-N 3.08Å; I284-A286 PolarHBondContact O-N 3.26Å; I284-L287 PolarHBondContact O-N 2.94Å; I284-S288 VanDerWaalsContact O-CB 3.22Å; I284-S288 WeakPolarHBondContact O-CB 3.34Å; I284-S288 PolarHBondContact O-N 3.36Å; I284-S288 PolarHBondContact O-OG 3.46Å; I284-L311 HydrophobicContact CD1-CD2 4.49Å; I284-L311 HydrophobicContact CG1-CD2 4.36Å; I284-Y339 HydrophobicContact CD1-CD1 4.43Å; I284-Y339 HydrophobicContact CD1-CE1 3.51Å; I284-R342 HydrophobicContact CG2-CB 4.26Å; I284-A343 HydrophobicContact CD1-CB 4.27Å; I284-A343 HydrophobicContact CG2-CB 4.24Å; I284-I346 HydrophobicContact CB-CD1 4.1Å; I284-I346 HydrophobicContact CG1-CD1 3.76Å; I284-I346 HydrophobicContact CG2-CD1 4.06Å
285N89.2Confident82.3Confident54 Ų5466.6 Ų66.629%0.28934%0.343SS..Hα-helixtrans-58.4-47.5175-72.1-43.4000111.4G281 C283 L287 S288 D289 R342G281-N285 WeakPolarHBondContact O-CB 3.42Å; G281-N285 PolarHBondContact O-N 2.91Å; G281-N285 PolarHBondContact O-ND2 3.17Å; C283-N285 PolarHBondContact O-N 3.03Å; N285-L287 VanDerWaalsContact C-N 3.34Å; N285-L287 PolarHBondContact O-N 2.89Å; N285-S288 WeakPolarHBondContact CA-OG 3.45Å; N285-S288 PolarHBondContact O-N 2.83Å; N285-S288 PolarHBondContact O-OG 3.31Å; N285-D289 PolarHBondContact O-N 2.94Å; N285-R342 VanDerWaalsContact OD1-CD 3.31Å; N285-R342 WeakPolarHBondContact OD1-CD 3.41Å; N285-R342 PolarHBondContact OD1-NH1 3.46Å
286A89.6Confident82.4Confident24 Ų2462.1 Ų62.120%0.19833%0.329CS..Hα-helixtrans-66.7-31.7-179.400000113.7N282 C283 I284 V296N282-A286 WeakPolarHBondContact O-CB 2.77Å; N282-A286 PolarHBondContact O-N 3Å; C283-A286 PolarHBondContact O-N 3.5Å; I284-A286 PolarHBondContact O-N 3.26Å; A286-V296 HydrophobicContact CB-CG2 4.09Å
287L88.4Confident82.5Confident43 Ų4365.6 Ų65.623%0.22535%0.347CS..Hα-helixtrans-80.1-29.9175.4-69.8164.9000113C283 I284 N285 D289 V296 L311 I346C283-L287 WeakPolarHBondContact O-CB 3.49Å; C283-L287 WeakPolarHBondContact O-CD1 3.25Å; C283-L287 VanDerWaalsContact O-CG 3.26Å; C283-L287 WeakPolarHBondContact O-CG 3.34Å; C283-L287 PolarHBondContact O-N 2.92Å; I284-L287 PolarHBondContact O-N 2.94Å; N285-L287 VanDerWaalsContact C-N 3.34Å; N285-L287 PolarHBondContact O-N 2.89Å; L287-D289 VanDerWaalsContact C-N 3.28Å; L287-D289 PolarHBondContact O-N 2.86Å; L287-V296 HydrophobicContact CD2-CG2 4.02Å; L287-V296 HydrophobicContact CG-CG1 4.42Å; L287-V296 HydrophobicContact CG-CG2 4.19Å; L287-L311 HydrophobicContact CD1-CB 3.75Å; L287-I346 HydrophobicContact CB-CD1 3.88Å; L287-I346 HydrophobicContact CB-CG1 3.83Å; L287-I346 HydrophobicContact CB-CG2 4.25Å; L287-I346 HydrophobicContact CD1-CD1 4.28Å; L287-I346 HydrophobicContact CD1-CG2 4.48Å
288S86.3Confident82.6Confident22 Ų2266.8 Ų66.815%0.15435%0.351CS..Hα-helixtrans-73.2-19.6177.972.50000113.5I284 N285 K290 R342 S345I284-S288 VanDerWaalsContact O-CB 3.22Å; I284-S288 WeakPolarHBondContact O-CB 3.34Å; I284-S288 PolarHBondContact O-N 3.36Å; I284-S288 PolarHBondContact O-OG 3.46Å; N285-S288 WeakPolarHBondContact CA-OG 3.45Å; N285-S288 PolarHBondContact O-N 2.83Å; N285-S288 PolarHBondContact O-OG 3.31Å; S288-K290 PolarHBondContact O-N 3.13Å; S288-R342 WeakPolarHBondContact CB-O 3.49Å; S288-S345 VanDerWaalsContact CA-OG 3.3Å; S288-S345 WeakPolarHBondContact CA-OG 3.47Å; S288-S345 VanDerWaalsContact CB-OG 3.25Å; S288-S345 WeakPolarHBondContact CB-OG 3.41Å; S288-S345 PolarHBondContact O-OG 3.38Å
289D81.4Confident82.7Confident66 Ų6669.1 Ų69.135%0.35335%0.352SS..  trans-72.3108.5179.8-95.5-35.7000111.7N285 L287 N291 G292 K294N285-D289 PolarHBondContact O-N 2.94Å; L287-D289 VanDerWaalsContact C-N 3.28Å; L287-D289 PolarHBondContact O-N 2.86Å; D289-N291 PolarHBondContact O-N 3.05Å; D289-G292 PolarHBondContact O-N 2.72Å; D289-K294 HydrophobicContact CB-CD 4.47Å; D289-K294 WeakPolarHBondContact OD2-CE 3.4Å; D289-K294 IonicContact OD2-NZ 3.63Å; D289-K294 PolarHBondContact OD2-NZ 2.94Å
290K65.4Low82.6Confident194 Ų19472 Ų7284%0.84337%0.367SS*.THydrogen-bonded Turntrans-57.6-7.3-178.6-60.9-178.8-178.81790115.6S288S288-K290 PolarHBondContact O-N 3.13Å
291N66.3Low82.7Confident141 Ų14172.1 Ų72.175%0.75437%0.367SS*.THydrogen-bonded Turntrans-86.4-0.8-177.6-72.446000114.3D289 N293D289-N291 PolarHBondContact O-N 3.05Å; N291-N293 PolarHBondContact O-N 3.3Å
292G56.6Low82.7Confident67 Ų6773.5 Ų73.569%0.69137%0.371SS*.  trans69.7-29.9157.200000119.5D289D289-G292 PolarHBondContact O-N 2.72Å
293N56.6Low82.8Confident166 Ų16670 Ų7089%0.88835%0.352SS*.  trans-99.824.1-170.4-813.6000114.4N291N291-N293 PolarHBondContact O-N 3.3Å
294K69.8Low82.8Confident122 Ų12269.9 Ų69.953%0.5335%0.352SS..  trans-93123.3175.1-71.1-175.7179179.80110.4D289D289-K294 HydrophobicContact CB-CD 4.47Å; D289-K294 WeakPolarHBondContact OD2-CE 3.4Å; D289-K294 IonicContact OD2-NZ 3.63Å; D289-K294 PolarHBondContact OD2-NZ 2.94Å
295Y83.3Confident82.9Confident172 Ų17272.4 Ų72.468%0.67536%0.362SS*.  trans-62134.3168.2173.5-101.8000110.1N297Y295-N297 VanDerWaalsContact CD1-OD1 3.29Å; Y295-N297 WeakPolarHBondContact CD1-OD1 3.28Å; Y295-N297 WeakPolarHBondContact CE1-OD1 3.44Å
296V87.6Confident83.1Confident20 Ų2070.6 Ų70.612%0.12135%0.352CS..  trans-104117.9-174.8-1760000109.7C283 A286 L287 Y298C283-V296 HydrophobicContact CB-CG1 3.91Å; A286-V296 HydrophobicContact CB-CG2 4.09Å; L287-V296 HydrophobicContact CD2-CG2 4.02Å; L287-V296 HydrophobicContact CG-CG1 4.42Å; L287-V296 HydrophobicContact CG-CG2 4.19Å; V296-Y298 HydrophobicContact CB-CD2 4.1Å; V296-Y298 HydrophobicContact CB-CE2 3.69Å; V296-Y298 HydrophobicContact CG1-CD1 4.2Å; V296-Y298 HydrophobicContact CG1-CD2 4Å; V296-Y298 HydrophobicContact CG1-CE1 3.85Å; V296-Y298 HydrophobicContact CG1-CE2 3.65Å; V296-Y298 HydrophobicContact CG1-CG 4.27Å; V296-Y298 WeakPolarHBondContact O-CD2 3.45Å; V296-Y298 PolarHBondContact O-N 3.26Å
297N89.3Confident83.1Confident75 Ų7569.6 Ų69.640%0.40134%0.343SS..  trans-76.359.8-176.1-72.46.8000113.6Y295 R299 D300Y295-N297 VanDerWaalsContact CD1-OD1 3.29Å; Y295-N297 WeakPolarHBondContact CD1-OD1 3.28Å; Y295-N297 WeakPolarHBondContact CE1-OD1 3.44Å; N297-R299 PolarHBondContact O-N 2.69Å; N297-D300 VanDerWaalsContact CB-OD2 3.27Å; N297-D300 WeakPolarHBondContact CB-OD2 3.16Å; N297-D300 PolarHBondContact ND2-OD2 3.45Å; N297-D300 PolarHBondContact O-N 2.78Å
298Y90.6Very high83.2Confident39 Ų3970 Ų7015%0.15334%0.343CS..G310 helixtrans-56-22.5175.8-65.2-70.4000113.4C283 V296 D300 T304 R305 K308 L311C283-Y298 HydrophobicContact CB-CE1 4.42Å; V296-Y298 HydrophobicContact CB-CD2 4.1Å; V296-Y298 HydrophobicContact CB-CE2 3.69Å; V296-Y298 HydrophobicContact CG1-CD1 4.2Å; V296-Y298 HydrophobicContact CG1-CD2 4Å; V296-Y298 HydrophobicContact CG1-CE1 3.85Å; V296-Y298 HydrophobicContact CG1-CE2 3.65Å; V296-Y298 HydrophobicContact CG1-CG 4.27Å; V296-Y298 WeakPolarHBondContact O-CD2 3.45Å; V296-Y298 PolarHBondContact O-N 3.26Å; Y298-D300 VanDerWaalsContact C-N 3.33Å; Y298-D300 PolarHBondContact O-N 3Å; Y298-T304 WeakPolarHBondContact CD1-O 3.27Å; Y298-T304 CarbonylContact O-C 3.57Å; Y298-T304 VanDerWaalsContact O-C 3.27Å; Y298-T304 VanDerWaalsContact O-CB 3.3Å; Y298-T304 WeakPolarHBondContact O-CB 3.23Å; Y298-T304 PolarHBondContact O-OG1 3.02Å; Y298-R305 WeakPolarHBondContact O-CG 3.24Å; Y298-R305 PolarHBondContact O-N 3.26Å; Y298-R305 VanDerWaalsContact O-N 3.07Å; Y298-K308 HydrophobicContact CD1-CB 4.24Å; Y298-K308 HydrophobicContact CD2-CG 4.08Å; Y298-K308 HydrophobicContact CE2-CG 4.34Å; Y298-K308 HydrophobicContact CG-CB 4.22Å; Y298-K308 HydrophobicContact CG-CG 4.17Å; Y298-L311 HydrophobicContact CE1-CB 4.25Å; Y298-L311 HydrophobicContact CE1-CD1 4.49Å
299R90.9Very high83.2Confident161 Ų16171.3 Ų71.361%0.60835%0.348SS*.G310 helixtrans-76.2-7.8-177.4-68.9-177.7171.8177.7-3.6115.4E173 N297 S301 R305E173-R299 IonicContact OE2-CZ 2.71Å; E173-R299 IonicContact OE2-NE 2.63Å; E173-R299 IonicContact OE2-NH2 3.38Å; E173-R299 PolarHBondContact OE2-NH2 3.46Å; N297-R299 PolarHBondContact O-N 2.69Å; R299-S301 VanDerWaalsContact C-N 3.26Å; R299-S301 PolarHBondContact O-N 2.98Å; R299-R305 HydrophobicContact CG-CG 4.34Å
300D89.9Confident83.5Confident63 Ų6368.2 Ų68.234%0.33733%0.332SS..G310 helixtrans-70.1-17.8-175.6-68.5-2.6000114R275 A279 N297 Y298R275-D300 PolarHBondContact NE-O 3.02Å; A279-D300 HydrophobicContact CB-CB 3.77Å; N297-D300 VanDerWaalsContact CB-OD2 3.27Å; N297-D300 WeakPolarHBondContact CB-OD2 3.16Å; N297-D300 PolarHBondContact ND2-OD2 3.45Å; N297-D300 PolarHBondContact O-N 2.78Å; Y298-D300 VanDerWaalsContact C-N 3.33Å; Y298-D300 PolarHBondContact O-N 3Å
301S92.1Very high84.4Confident2 Ų259 Ų591%0.01429%0.292CS..SBendtrans-145.9160.5170.575.10000112.9E156 R299 L303 T304 R305E156-S301 VanDerWaalsContact OE2-CA 3.23Å; E156-S301 WeakPolarHBondContact OE2-CA 3.46Å; R299-S301 VanDerWaalsContact C-N 3.26Å; R299-S301 PolarHBondContact O-N 2.98Å; S301-L303 VanDerWaalsContact C-N 3.31Å; S301-T304 PolarHBondContact N-OG1 3.38Å; S301-T304 PolarHBondContact O-OG1 3.29Å; S301-T304 VanDerWaalsContact O-OG1 3.11Å; S301-T304 WeakPolarHBondContact OG-CB 3.36Å; S301-T304 WeakPolarHBondContact OG-CG2 3.43Å; S301-T304 PolarHBondContact OG-N 2.72Å; S301-T304 PolarHBondContact OG-OG1 2.94Å; S301-R305 WeakPolarHBondContact O-CG 3.35Å; S301-R305 PolarHBondContact O-N 3.21Å
302K91.6Very high85.1Confident36 Ų3653.8 Ų53.816%0.15727%0.272CS..Hα-helixtrans-65.3-36.4172.8-70.8-165.8-174.5166.70111.7E156 I158 R305 L306E156-K302 WeakPolarHBondContact O-CD 3.46Å; E156-K302 WeakPolarHBondContact O-CE 3.32Å; E156-K302 PolarHBondContact O-NZ 3Å; E156-K302 PolarHBondContact OE1-N 3.14Å; E156-K302 PolarHBondContact OE2-N 3.14Å; I158-K302 HydrophobicContact CD1-CD 3.89Å; I158-K302 HydrophobicContact CG1-CD 3.79Å; K302-R305 PolarHBondContact O-N 3.02Å; K302-L306 PolarHBondContact O-N 3.06Å; K302-L306 VanDerWaalsContact O-N 3.07Å
303L92Very high86.4Confident0 Ų051.5 Ų51.50%025%0.248CC..Hα-helixtrans-59.4-50.2176177.366.6000112I153 L251 L277 S301 R305 L306 L307I153-L303 HydrophobicContact CD1-CB 4.38Å; I153-L303 HydrophobicContact CD1-CD1 4.3Å; L251-L303 HydrophobicContact CD2-CD1 3.98Å; L251-L303 HydrophobicContact CD2-CD2 3.89Å; L277-L303 HydrophobicContact CD2-CD2 4.45Å; S301-L303 VanDerWaalsContact C-N 3.31Å; L303-R305 VanDerWaalsContact C-N 3.3Å; L303-R305 PolarHBondContact O-N 3.48Å; L303-L306 PolarHBondContact O-N 3.23Å; L303-L307 HydrophobicContact CD1-CD1 3.84Å; L303-L307 HydrophobicContact CD1-CG 4.36Å; L303-L307 HydrophobicContact CG-CD1 3.97Å; L303-L307 WeakPolarHBondContact O-CB 3.48Å; L303-L307 PolarHBondContact O-N 3.22Å
304T92.8Very high87.9Confident0 Ų044.9 Ų44.90%021%0.212CC..Hα-helixtrans-68.2-27.5-179.747.40000113.5A279 L280 Y298 S301 K308A279-T304 VanDerWaalsContact C-CG2 3.49Å; A279-T304 HydrophobicContact CB-CG2 3.82Å; L280-T304 HydrophobicContact CB-CG2 4.07Å; L280-T304 HydrophobicContact CD1-CG2 4.13Å; L280-T304 VanDerWaalsContact N-CG2 3.34Å; Y298-T304 WeakPolarHBondContact CD1-O 3.27Å; Y298-T304 CarbonylContact O-C 3.57Å; Y298-T304 VanDerWaalsContact O-C 3.27Å; Y298-T304 VanDerWaalsContact O-CB 3.3Å; Y298-T304 WeakPolarHBondContact O-CB 3.23Å; Y298-T304 PolarHBondContact O-OG1 3.02Å; S301-T304 PolarHBondContact N-OG1 3.38Å; S301-T304 PolarHBondContact O-OG1 3.29Å; S301-T304 VanDerWaalsContact O-OG1 3.11Å; S301-T304 WeakPolarHBondContact OG-CB 3.36Å; S301-T304 WeakPolarHBondContact OG-CG2 3.43Å; S301-T304 PolarHBondContact OG-N 2.72Å; S301-T304 PolarHBondContact OG-OG1 2.94Å; T304-K308 PolarHBondContact O-N 2.72Å; T304-K308 VanDerWaalsContact O-N 3.12Å
305R91.9Very high89Confident54 Ų5439.2 Ų39.220%0.20419%0.188CC..Hα-helixtrans-67.5-45.6170.4-71.2178.865.5-151.9-8.4110.8L171 I179 Y298 R299 S301 K302 L303 L307 K308L171-R305 HydrophobicContact CD2-CB 3.28Å; L171-R305 HydrophobicContact CD2-CG 4.29Å; L171-R305 PolarHBondContact O-NH1 3.12Å; L171-R305 PolarHBondContact O-NH2 3.42Å; I179-R305 WeakPolarHBondContact CG1-O 2.97Å; Y298-R305 WeakPolarHBondContact O-CG 3.24Å; Y298-R305 PolarHBondContact O-N 3.26Å; Y298-R305 VanDerWaalsContact O-N 3.07Å; R299-R305 HydrophobicContact CG-CG 4.34Å; S301-R305 WeakPolarHBondContact O-CG 3.35Å; S301-R305 PolarHBondContact O-N 3.21Å; K302-R305 PolarHBondContact O-N 3.02Å; L303-R305 VanDerWaalsContact C-N 3.3Å; L303-R305 PolarHBondContact O-N 3.48Å; R305-L307 VanDerWaalsContact C-N 3.31Å; R305-L307 PolarHBondContact O-N 3.4Å; R305-K308 WeakPolarHBondContact O-CB 2.99Å; R305-K308 PolarHBondContact O-N 3.04Å
306L91.9Very high89.4Confident16 Ų1633.8 Ų33.88%0.08417%0.166CC..Hα-helixtrans-64.2-36.4176.9-173.162000111.9I153 L171 V223 F247 K302 L303 K308I153-L306 HydrophobicContact CD1-CD2 4.12Å; L171-L306 HydrophobicContact CD1-CD1 4.24Å; V223-L306 HydrophobicContact CG1-CD2 4.14Å; V223-L306 HydrophobicContact CG2-CD2 4.14Å; F247-L306 HydrophobicContact CE1-CD1 4.39Å; K302-L306 PolarHBondContact O-N 3.06Å; K302-L306 VanDerWaalsContact O-N 3.07Å; L303-L306 PolarHBondContact O-N 3.23Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 2.87Å
307L90.4Very high89.8Confident2 Ų233 Ų331%0.0116%0.162CC..THydrogen-bonded Turntrans-82.82.5176.8-73.5174.5000115.2T99 I249 L280 L303 R305 D309 S310 L311T99-L307 HydrophobicContact CG2-CD2 4.12Å; I249-L307 HydrophobicContact CD1-CD2 3.61Å; I249-L307 HydrophobicContact CD1-CG 4.47Å; L280-L307 HydrophobicContact CD1-CD1 3.64Å; L303-L307 HydrophobicContact CD1-CD1 3.84Å; L303-L307 HydrophobicContact CD1-CG 4.36Å; L303-L307 HydrophobicContact CG-CD1 3.97Å; L303-L307 WeakPolarHBondContact O-CB 3.48Å; L303-L307 PolarHBondContact O-N 3.22Å; R305-L307 VanDerWaalsContact C-N 3.31Å; R305-L307 PolarHBondContact O-N 3.4Å; L307-D309 VanDerWaalsContact C-N 3.34Å; L307-D309 PolarHBondContact O-N 3.31Å; L307-S310 WeakPolarHBondContact O-CA 3.3Å; L307-S310 WeakPolarHBondContact O-CB 3.35Å; L307-S310 PolarHBondContact O-N 3.35Å; L307-L311 HydrophobicContact CB-CD1 3.81Å; L307-L311 HydrophobicContact CB-CG 4.2Å; L307-L311 PolarHBondContact O-N 3.05Å
308K89.7Confident90.1Very high52 Ų5229.6 Ų29.623%0.22614%0.144CC..Hα-helixtrans-47-54.3-179.9176.2-168.6176.1-171.70112.2E173 G177 I179 Y298 T304 R305 L306 S310 G312E173-K308 IonicContact OE1-NZ 3.85Å; E173-K308 PolarHBondContact OE1-NZ 3.03Å; G177-K308 PolarHBondContact O-NZ 3.46Å; I179-K308 HydrophobicContact CD1-CD 4.41Å; I179-K308 HydrophobicContact CG1-CB 4.47Å; I179-K308 HydrophobicContact CG1-CD 3.79Å; Y298-K308 HydrophobicContact CD1-CB 4.24Å; Y298-K308 HydrophobicContact CD2-CG 4.08Å; Y298-K308 HydrophobicContact CE2-CG 4.34Å; Y298-K308 HydrophobicContact CG-CB 4.22Å; Y298-K308 HydrophobicContact CG-CG 4.17Å; T304-K308 PolarHBondContact O-N 2.72Å; T304-K308 VanDerWaalsContact O-N 3.12Å; R305-K308 WeakPolarHBondContact O-CB 2.99Å; R305-K308 PolarHBondContact O-N 3.04Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 2.87Å; K308-S310 VanDerWaalsContact C-N 3.29Å; K308-S310 PolarHBondContact O-N 3.18Å; K308-G312 PolarHBondContact O-N 2.89Å
309D86.7Confident90.4Very high49 Ų4927.8 Ų27.826%0.26214%0.136SC..Hα-helixtrans-76.2-20.2-177.7-62.2-27.4000112.8L307 G313 N314 S315L307-D309 VanDerWaalsContact C-N 3.34Å; L307-D309 PolarHBondContact O-N 3.31Å; D309-G313 CarbonylContact O-C 3.53Å; D309-G313 VanDerWaalsContact O-C 3.23Å; D309-G313 WeakPolarHBondContact O-CA 3.44Å; D309-G313 PolarHBondContact O-N 3.45Å; D309-N314 CarbonylContact O-C 3.08Å; D309-N314 PolarHBondContact O-N 2.72Å; D309-S315 PolarHBondContact O-N 3.18Å
310S87.9Confident90.7Very high2 Ų220.1 Ų20.11%0.01411%0.107CC..Hα-helixtrans-76.8-36.7177.1-60.20000113.1T99 L307 K308 T317T99-S310 WeakPolarHBondContact CG2-OG 3.4Å; T99-S310 WeakPolarHBondContact OG1-CB 3.37Å; T99-S310 PolarHBondContact OG1-OG 2.99Å; L307-S310 WeakPolarHBondContact O-CA 3.3Å; L307-S310 WeakPolarHBondContact O-CB 3.35Å; L307-S310 PolarHBondContact O-N 3.35Å; K308-S310 VanDerWaalsContact C-N 3.29Å; K308-S310 PolarHBondContact O-N 3.18Å; S310-T317 WeakPolarHBondContact O-CB 3.28Å; S310-T317 PolarHBondContact O-OG1 2.76Å
311L85.3Confident91.1Very high0 Ų017.1 Ų17.10%09%0.091CC..Hα-helixtrans-93.8-33.7-171.5-65.3166.3000113.2L12 F101 L280 I284 L287 Y298 L307 I346L12-L311 HydrophobicContact CD1-CD2 4.43Å; F101-L311 HydrophobicContact CE1-CD2 4.43Å; L280-L311 HydrophobicContact CD1-CD1 3.59Å; I284-L311 HydrophobicContact CD1-CD2 4.49Å; I284-L311 HydrophobicContact CG1-CD2 4.36Å; L287-L311 HydrophobicContact CD1-CB 3.75Å; Y298-L311 HydrophobicContact CE1-CB 4.25Å; Y298-L311 HydrophobicContact CE1-CD1 4.49Å; L307-L311 HydrophobicContact CB-CD1 3.81Å; L307-L311 HydrophobicContact CB-CG 4.2Å; L307-L311 PolarHBondContact O-N 3.05Å; L311-I346 WeakPolarHBondContact O-CG2 3.38Å
312G80.4Confident91.3Very high32 Ų3217 Ų1733%0.339%0.091SC..SBendtrans-141.88.4-179.400000115.1K308K308-G312 PolarHBondContact O-N 2.89Å
313G84.6Confident91.6Very high18 Ų1815.3 Ų15.319%0.1868%0.083CC..SBendtrans-111.3-137.4-178.800000113D309 R349D309-G313 CarbonylContact O-C 3.53Å; D309-G313 VanDerWaalsContact O-C 3.23Å; D309-G313 WeakPolarHBondContact O-CA 3.44Å; D309-G313 PolarHBondContact O-N 3.45Å; G313-R349 PolarHBondContact O-N 2.97Å
314N88.3Confident91.7Very high28 Ų2815.3 Ų15.315%0.158%0.084CC..SBendtrans-97.687179.1-176.820000111.8N97 D309 V350 K351 N353N97-N314 VanDerWaalsContact CB-O 3.28Å; N97-N314 WeakPolarHBondContact CB-O 3.47Å; N97-N314 PolarHBondContact ND2-O 2.87Å; D309-N314 CarbonylContact O-C 3.08Å; D309-N314 PolarHBondContact O-N 2.72Å; N314-V350 WeakPolarHBondContact OD1-CA 3.44Å; N314-K351 PolarHBondContact ND2-O 3.47Å; N314-K351 PolarHBondContact OD1-N 3.24Å; N314-K351 PolarHBondContact OD1-O 2.89Å; N314-N353 PolarHBondContact ND2-OD1 3.17Å
315S91.1Very high91.9Very high2 Ų215.6 Ų15.61%0.0149%0.085CC..  trans-156.5149.3164.7-160.10000111.6N97 A98 T99 D309 T348N97-S315 PolarHBondContact O-OG 3.3Å; A98-S315 VanDerWaalsContact C-OG 3.28Å; A98-S315 WeakPolarHBondContact CA-OG 3.3Å; A98-S315 PolarHBondContact N-OG 3.29Å; T99-S315 PolarHBondContact N-OG 3.17Å; T99-S315 PolarHBondContact OG1-OG 2.97Å; D309-S315 PolarHBondContact O-N 3.18Å; S315-T348 WeakPolarHBondContact O-CB 3.3Å; S315-T348 PolarHBondContact O-OG1 3.28Å
316R93.2Very high92Very high58 Ų5813 Ų1322%0.2198%0.076CC..EExtended strand (participates in β ladder)trans-82.6113.8161.6-73-172.1170.1164.76.9108.6Q10 L88 N97 A98 T99 V350Q10-R316 VanDerWaalsContact OE1-NE 3.13Å; L88-R316 HydrophobicContact CD2-CB 3.95Å; N97-R316 PolarHBondContact O-N 2.89Å; A98-R316 CarbonylContact C-O 3.45Å; A98-R316 VanDerWaalsContact CA-O 3.32Å; A98-R316 WeakPolarHBondContact CA-O 3.3Å; T99-R316 PolarHBondContact N-O 2.91Å; R316-V350 HydrophobicContact CG-CG1 3.99Å; R316-V350 HydrophobicContact CG-CG2 3.92Å
317T94.5Very high92Very high5 Ų513.4 Ų13.43%0.0318%0.08CC..EExtended strand (participates in β ladder)trans-116.7131.1-169.3-60.30000112.4L12 T13 T99 F101 S310L12-T317 HydrophobicContact CD1-CG2 3.69Å; L12-T317 HydrophobicContact CG-CG2 4.02Å; T13-T317 PolarHBondContact N-O 3.25Å; T99-T317 HydrophobicContact CG2-CG2 4.39Å; T99-T317 CarbonylContact O-C 3.59Å; T99-T317 VanDerWaalsContact O-CA 3.3Å; T99-T317 WeakPolarHBondContact O-CA 3.32Å; F101-T317 HydrophobicContact CD1-CG2 4.15Å; F101-T317 HydrophobicContact CE1-CG2 3.72Å; S310-T317 WeakPolarHBondContact O-CB 3.28Å; S310-T317 PolarHBondContact O-OG1 2.76Å
318V96.4Very high92Very high3 Ų317.4 Ų17.42%0.01810%0.104CC..EExtended strand (participates in β ladder)trans-120.4124.1176.5-173.90000109.2T13 L88 T99 V100 F101 I320T13-V318 HydrophobicContact CG2-CG1 4.4Å; T13-V318 CarbonylContact O-C 3.58Å; T13-V318 WeakPolarHBondContact O-CA 3.05Å; L88-V318 HydrophobicContact CD1-CG2 3.82Å; L88-V318 HydrophobicContact CD2-CG2 4.11Å; L88-V318 HydrophobicContact CG-CG2 4.37Å; T99-V318 PolarHBondContact O-N 3.05Å; V100-V318 WeakPolarHBondContact CA-O 3.21Å; V100-V318 HydrophobicContact CG2-CB 4.37Å; F101-V318 PolarHBondContact N-O 2.75Å; V318-I320 HydrophobicContact CG1-CG1 4.42Å
319M96.7Very high92Very high0 Ų016 Ų160%010%0.102CC..EExtended strand (participates in β ladder)trans-100.5129.3170.7176.4179.3176.800108.9L12 T13 V14 A15 F101 Y103 A321 Y339 A340 A343L12-M319 HydrophobicContact CD2-CB 4.01Å; T13-M319 PolarHBondContact O-N 2.78Å; V14-M319 WeakPolarHBondContact CA-O 3.47Å; V14-M319 HydrophobicContact CG2-CB 4.35Å; A15-M319 PolarHBondContact N-O 3.34Å; F101-M319 HydrophobicContact CD2-CG 4.2Å; F101-M319 HydrophobicContact CE1-CB 4.01Å; F101-M319 HydrophobicContact CE2-CB 3.91Å; F101-M319 HydrophobicContact CE2-CE 4.45Å; F101-M319 HydrophobicContact CE2-CG 3.52Å; F101-M319 HydrophobicContact CE2-SD 3.95Å; F101-M319 HydrophobicContact CZ-CB 3.62Å; F101-M319 HydrophobicContact CZ-CG 3.71Å; F101-M319 HydrophobicContact CZ-SD 4.04Å; Y103-M319 HydrophobicContact CD1-CE 3.34Å; Y103-M319 HydrophobicContact CE1-CE 4.18Å; Y103-M319 HydrophobicContact CG-CE 3.67Å; M319-A321 HydrophobicContact CE-CB 4.09Å; M319-Y339 HydrophobicContact CE-CD1 3.75Å; M319-Y339 HydrophobicContact CE-CE1 4.1Å; M319-A340 HydrophobicContact CE-CB 3.98Å; M319-A340 HydrophobicContact SD-CB 4.45Å; M319-A343 HydrophobicContact SD-CB 3.53Å; M319-A343 VanDerWaalsContact SD-CB 3.53Å
320I97.8Very high92.3Very high0 Ų014.5 Ų14.50%09%0.093CC..EExtended strand (participates in β ladder)trans-109.7104.4169.3-47.8179.1000108.1A15 T84 V100 F101 A102 Y103 T113 I123 V318 H322A15-I320 HydrophobicContact CB-CG1 4.42Å; A15-I320 HydrophobicContact CB-CG2 4.38Å; T84-I320 HydrophobicContact CG2-CD1 4.03Å; T84-I320 HydrophobicContact CG2-CG1 4.23Å; V100-I320 HydrophobicContact CG1-CD1 4.08Å; V100-I320 HydrophobicContact CG1-CG1 4.39Å; F101-I320 PolarHBondContact O-N 2.94Å; A102-I320 WeakPolarHBondContact CA-O 3.44Å; Y103-I320 PolarHBondContact N-O 2.89Å; T113-I320 HydrophobicContact CG2-CD1 3.96Å; T113-I320 HydrophobicContact CG2-CG2 4.39Å; I123-I320 HydrophobicContact CG1-CD1 4.37Å; V318-I320 HydrophobicContact CG1-CG1 4.42Å; I320-H322 VanDerWaalsContact CG2-CE1 3.47Å; I320-H322 WeakPolarHBondContact CG2-CE1 3.35Å; I320-H322 PolarHBondContact O-CE1 2.83Å; I320-H322 VanDerWaalsContact O-CE1 3.25Å; I320-H322 PolarHBondContact O-ND1 2.81Å
321A97.5Very high92.3Very high0 Ų017.9 Ų17.90%011%0.109CC..EExtended strand (participates in β ladder)trans-82.9137176.500000110.6A15 L16 R17 Y103 M319 T336 A340A15-A321 PolarHBondContact O-N 2.95Å; L16-A321 CarbonylContact C-O 3.51Å; L16-A321 WeakPolarHBondContact CA-O 3.41Å; L16-A321 HydrophobicContact CD1-CB 3.71Å; R17-A321 PolarHBondContact N-O 3.45Å; Y103-A321 CarbonylContact O-C 3.6Å; Y103-A321 WeakPolarHBondContact O-CA 3.38Å; M319-A321 HydrophobicContact CE-CB 4.09Å; A321-T336 HydrophobicContact CB-CG2 4.23Å; A321-A340 HydrophobicContact CB-CB 3.73Å
322H97.4Very high92.6Very high0 Ų018.9 Ų18.90%011%0.113CC..EExtended strand (participates in β ladder)trans-123.1129.7-173.5-67.178.8000110.9R17 Y103 P105 C108 K110 T113 I320R17-H322 WeakPolarHBondContact O-CA 3.3Å; Y103-H322 WeakPolarHBondContact O-CB 3.3Å; Y103-H322 PolarHBondContact O-N 2.77Å; Y103-H322 PolarHBondContact O-ND1 3Å; Y103-H322 VanDerWaalsContact O-ND1 3.17Å; P105-H322 VanDerWaalsContact CD-O 3.3Å; P105-H322 WeakPolarHBondContact CD-O 3.23Å; C108-H322 HydrophobicContact CB-CB 4.04Å; C108-H322 WeakPolarHBondContact O-CB 3.41Å; K110-H322 HydrophobicContact CG-CB 4.21Å; T113-H322 WeakPolarHBondContact CB-NE2 3.45Å; T113-H322 PolarHBondContact OG1-NE2 2.87Å; I320-H322 VanDerWaalsContact CG2-CE1 3.47Å; I320-H322 WeakPolarHBondContact CG2-CE1 3.35Å; I320-H322 PolarHBondContact O-CE1 2.83Å; I320-H322 VanDerWaalsContact O-CE1 3.25Å; I320-H322 PolarHBondContact O-ND1 2.81Å
323I96.9Very high93.3Very high0 Ų017.3 Ų17.30%010%0.098CC..EExtended strand (participates in β ladder)trans-133.7152.2177.562.6170000112.3L16 R17 I18 R19 A34 T336 L337L16-I323 HydrophobicContact CD1-CD1 4.48Å; L16-I323 HydrophobicContact CD1-CG1 4.38Å; L16-I323 HydrophobicContact CD1-CG2 4.28Å; L16-I323 HydrophobicContact CD2-CD1 3.98Å; L16-I323 HydrophobicContact CD2-CG1 4.37Å; R17-I323 PolarHBondContact O-N 3.21Å; R17-I323 VanDerWaalsContact O-N 3.12Å; I18-I323 HydrophobicContact CB-CG1 4.37Å; I18-I323 HydrophobicContact CD1-CD1 4.49Å; I18-I323 HydrophobicContact CG1-CD1 4.06Å; I18-I323 HydrophobicContact CG1-CG1 4Å; I18-I323 HydrophobicContact CG2-CG1 4.32Å; R19-I323 PolarHBondContact N-O 3.23Å; A34-I323 HydrophobicContact CB-CD1 3.8Å; I323-T336 HydrophobicContact CG2-CG2 3.83Å; I323-L337 HydrophobicContact CD1-CD1 4.07Å; I323-L337 HydrophobicContact CD1-CD2 4.24Å; I323-L337 HydrophobicContact CD1-CG 4.25Å; I323-L337 HydrophobicContact CG2-CG 4.44Å
324S95.4Very high93.7Very high1 Ų121.2 Ų21.21%0.00711%0.107CC..  trans-83.3142.9163.9175.40000109.7R19 E25 C108 A326 S333R19-S324 PolarHBondContact NH1-OG 3.07Å; R19-S324 PolarHBondContact NH2-OG 2.77Å; E25-S324 PolarHBondContact OE1-OG 2.83Å; E25-S324 PolarHBondContact OE2-OG 2.94Å; C108-S324 PolarHBondContact SG-N 3.36Å; C108-S324 VanDerWaalsContact SG-N 3.45Å; S324-A326 PolarHBondContact O-N 3.28Å; S324-A326 WeakPolarHBondContact OG-CB 3.15Å; S324-A326 PolarHBondContact OG-N 2.84Å; S324-A326 VanDerWaalsContact OG-N 3.11Å; S324-S333 PolarHBondContact O-OG 3.06Å
325P95.3Very high93.9Very high6 Ų621.9 Ų21.94%0.03911%0.11CC..  trans-73.5-11.8170.731.1-35.5000113.6I18 R19 L21 I32 V33I18-P325 HydrophobicContact CG2-CB 3.92Å; I18-P325 HydrophobicContact CG2-CG 4.38Å; R19-P325 WeakPolarHBondContact O-CD 3.26Å; R19-P325 VanDerWaalsContact O-CG 3.31Å; R19-P325 WeakPolarHBondContact O-CG 3.31Å; L21-P325 HydrophobicContact CB-CG 4.13Å; L21-P325 HydrophobicContact CD1-CG 4.11Å; I32-P325 CarbonylContact C-O 3.6Å; I32-P325 WeakPolarHBondContact CA-O 3.17Å; I32-P325 HydrophobicContact CG2-CB 4.13Å; V33-P325 WeakPolarHBondContact CG2-O 3.21Å; V33-P325 PolarHBondContact N-O 3.46Å
326A94.6Very high94.1Very high0 Ų021.8 Ų21.80%011%0.11CC..BIsolated β-bridgetrans-67.9140.5-172.200000114.2L21 E25 A30 T31 S324 T328 A329L21-A326 HydrophobicContact CD1-CB 3.64Å; E25-A326 HydrophobicContact CB-CB 4.22Å; E25-A326 HydrophobicContact CG-CB 3.92Å; E25-A326 WeakPolarHBondContact OE1-CB 3.49Å; A30-A326 HydrophobicContact CB-CB 3.89Å; T31-A326 CarbonylContact O-C 3.54Å; S324-A326 PolarHBondContact O-N 3.28Å; S324-A326 WeakPolarHBondContact OG-CB 3.15Å; S324-A326 PolarHBondContact OG-N 2.84Å; S324-A326 VanDerWaalsContact OG-N 3.11Å; A326-T328 VanDerWaalsContact C-N 3.27Å; A326-T328 PolarHBondContact O-N 2.6Å; A326-A329 HydrophobicContact CB-CB 4.34Å; A326-A329 WeakPolarHBondContact O-CB 3.39Å; A326-A329 PolarHBondContact O-N 2.9Å
327S92.1Very high94.2Very high24 Ų2419 Ų1917%0.16810%0.099CC..G310 helixtrans-58.1-37172.857.90000112.9T31 A329 F330T31-S327 PolarHBondContact N-OG 2.89Å; T31-S327 VanDerWaalsContact N-OG 3.12Å; T31-S327 PolarHBondContact O-N 3.28Å; T31-S327 WeakPolarHBondContact OG1-CB 3.18Å; T31-S327 PolarHBondContact OG1-OG 3.23Å; S327-A329 PolarHBondContact O-N 3.42Å; S327-F330 VanDerWaalsContact O-CB 3.24Å; S327-F330 WeakPolarHBondContact O-CB 3.33Å; S327-F330 PolarHBondContact O-N 2.94Å; S327-F330 VanDerWaalsContact O-N 3.14Å
328T90Very high94.2Very high85 Ų8520.4 Ų20.452%0.52111%0.108SC..G310 helixtrans-61.2-26.3174.753.10000113A30 A326A30-T328 HydrophobicContact CB-CG2 4.06Å; A326-T328 VanDerWaalsContact C-N 3.27Å; A326-T328 PolarHBondContact O-N 2.6Å
329A90.4Very high94Very high22 Ų2221.6 Ų21.618%0.18211%0.112CC..G310 helixtrans-92.50.2178.400000114.4A326 S327 E331 E332 S333A326-A329 HydrophobicContact CB-CB 4.34Å; A326-A329 WeakPolarHBondContact O-CB 3.39Å; A326-A329 PolarHBondContact O-N 2.9Å; S327-A329 PolarHBondContact O-N 3.42Å; A329-E331 PolarHBondContact O-N 3.2Å; A329-E332 PolarHBondContact O-N 2.82Å; A329-S333 PolarHBondContact O-N 3.42Å; A329-S333 PolarHBondContact O-OG 3.39Å
330F91.6Very high93.9Very high19 Ų1921.6 Ų21.68%0.08311%0.112CC..Hα-helixtrans-48-50.6-168.3169-102.6000114.8L44 M45 D46 P47 S327 E332 S333 R334L44-F330 HydrophobicContact CD1-CD2 4.2Å; L44-F330 HydrophobicContact CD2-CD2 3.62Å; L44-F330 HydrophobicContact CD2-CE2 3.43Å; L44-F330 VanDerWaalsContact CD2-CE2 3.43Å; L44-F330 HydrophobicContact CD2-CZ 4.36Å; L44-F330 HydrophobicContact CG-CD2 3.79Å; L44-F330 HydrophobicContact CG-CE2 3.7Å; M45-F330 VanDerWaalsContact O-CD2 3.23Å; M45-F330 WeakPolarHBondContact O-CD2 3.38Å; M45-F330 WeakPolarHBondContact O-CE2 3.44Å; D46-F330 HydrophobicContact CB-CE1 4.43Å; D46-F330 HydrophobicContact CB-CE2 4.08Å; D46-F330 HydrophobicContact CB-CZ 3.72Å; D46-F330 VanDerWaalsContact CG-CZ 3.41Å; D46-F330 WeakPolarHBondContact OD2-CE1 3.39Å; D46-F330 VanDerWaalsContact OD2-CZ 3.28Å; D46-F330 WeakPolarHBondContact OD2-CZ 3.41Å; P47-F330 VanDerWaalsContact CD-CG 3.48Å; P47-F330 HydrophobicContact CG-CB 3.93Å; P47-F330 HydrophobicContact CG-CD1 4.43Å; P47-F330 HydrophobicContact CG-CD2 4.44Å; P47-F330 HydrophobicContact CG-CG 4.03Å; S327-F330 VanDerWaalsContact O-CB 3.24Å; S327-F330 WeakPolarHBondContact O-CB 3.33Å; S327-F330 PolarHBondContact O-N 2.94Å; S327-F330 VanDerWaalsContact O-N 3.14Å; F330-E332 VanDerWaalsContact C-N 3.34Å; F330-E332 PolarHBondContact O-N 3.25Å; F330-S333 PolarHBondContact O-N 3.28Å; F330-R334 WeakPolarHBondContact O-CB 3.14Å; F330-R334 PolarHBondContact O-N 2.61Å
331E89.9Confident93.7Very high73 Ų7325.3 Ų25.334%0.34113%0.132SC..Hα-helixtrans-66.3-32.4-177.4-80.1-62.7122.400113.1A329 R334 N335A329-E331 PolarHBondContact O-N 3.2Å; E331-R334 IonicContact OE1-CZ 3.32Å; E331-R334 IonicContact OE1-NH1 3.05Å; E331-R334 PolarHBondContact OE1-NH1 3.39Å; E331-R334 IonicContact OE2-CZ 3.5Å; E331-R334 IonicContact OE2-NH1 3.64Å; E331-R334 PolarHBondContact OE2-NH1 3.4Å; E331-N335 WeakPolarHBondContact O-CB 3.36Å; E331-N335 PolarHBondContact O-N 3.36Å; E331-N335 PolarHBondContact O-ND2 2.88Å; E331-N335 VanDerWaalsContact O-ND2 3.13Å
332E90.8Very high93.4Very high20 Ų2030.4 Ų30.49%0.09315%0.151CC..Hα-helixtrans-82.2-34.1178.2-62.3-51.4150.300112.3P105 R256 Q259 A329 F330 R334 N335 T336P105-E332 HydrophobicContact CG-CB 3.83Å; R256-E332 IonicContact NE-OE1 2.76Å; Q259-E332 PolarHBondContact NE2-OE1 3.13Å; Q259-E332 PolarHBondContact OE1-OE1 3.41Å; A329-E332 PolarHBondContact O-N 2.82Å; F330-E332 VanDerWaalsContact C-N 3.34Å; F330-E332 PolarHBondContact O-N 3.25Å; E332-R334 VanDerWaalsContact C-N 3.34Å; E332-N335 PolarHBondContact O-N 3.47Å; E332-N335 PolarHBondContact OE1-ND2 2.99Å; E332-N335 PolarHBondContact OE2-ND2 2.92Å; E332-T336 WeakPolarHBondContact O-CB 3.42Å; E332-T336 PolarHBondContact O-N 3.24Å; E332-T336 PolarHBondContact O-OG1 3.5Å
333S94.4Very high93.1Very high0 Ų030.4 Ų30.40%015%0.151CC..Hα-helixtrans-60.5-44.3166.4-65.20000110.8S324 A329 F330 T336 L337S324-S333 PolarHBondContact O-OG 3.06Å; A329-S333 PolarHBondContact O-N 3.42Å; A329-S333 PolarHBondContact O-OG 3.39Å; F330-S333 PolarHBondContact O-N 3.28Å; S333-T336 PolarHBondContact O-N 3.11Å; S333-L337 WeakPolarHBondContact O-CB 3.35Å; S333-L337 WeakPolarHBondContact O-CD1 3.25Å; S333-L337 VanDerWaalsContact O-CG 3.24Å; S333-L337 WeakPolarHBondContact O-CG 3.3Å; S333-L337 PolarHBondContact O-N 2.78Å
334R93.7Very high92.8Very high99 Ų9932.3 Ų32.337%0.37416%0.159SC..Hα-helixtrans-61.7-43174.2178.1-177.5159.9-137.7-18.6113L44 F330 E331 E332 T338L44-R334 HydrophobicContact CD2-CB 3.65Å; L44-R334 HydrophobicContact CD2-CG 4.39Å; F330-R334 WeakPolarHBondContact O-CB 3.14Å; F330-R334 PolarHBondContact O-N 2.61Å; E331-R334 IonicContact OE1-CZ 3.32Å; E331-R334 IonicContact OE1-NH1 3.05Å; E331-R334 PolarHBondContact OE1-NH1 3.39Å; E331-R334 IonicContact OE2-CZ 3.5Å; E331-R334 IonicContact OE2-NH1 3.64Å; E331-R334 PolarHBondContact OE2-NH1 3.4Å; E332-R334 VanDerWaalsContact C-N 3.34Å; R334-T338 WeakPolarHBondContact O-CB 3.42Å; R334-T338 PolarHBondContact O-N 3.18Å; R334-T338 VanDerWaalsContact O-N 3.12Å; R334-T338 PolarHBondContact O-OG1 2.95Å
335N92.8Very high92.5Very high43 Ų4334.5 Ų34.523%0.2318%0.175CC..Hα-helixtrans-60-49.1173.8-73.4-33.3000110.3R256 E331 E332 T338 Y339R256-N335 PolarHBondContact NH2-ND2 2.97Å; R256-N335 VanDerWaalsContact NH2-ND2 3.1Å; R256-N335 PolarHBondContact NH2-OD1 2.99Å; R256-N335 VanDerWaalsContact NH2-OD1 3.12Å; E331-N335 WeakPolarHBondContact O-CB 3.36Å; E331-N335 PolarHBondContact O-N 3.36Å; E331-N335 PolarHBondContact O-ND2 2.88Å; E331-N335 VanDerWaalsContact O-ND2 3.13Å; E332-N335 PolarHBondContact O-N 3.47Å; E332-N335 PolarHBondContact OE1-ND2 2.99Å; E332-N335 PolarHBondContact OE2-ND2 2.92Å; N335-T338 PolarHBondContact O-N 3.42Å; N335-Y339 WeakPolarHBondContact O-CB 3.35Å; N335-Y339 PolarHBondContact O-N 2.8Å
336T95Very high92.3Very high0 Ų034.3 Ų34.30%017%0.173CC..Hα-helixtrans-64.3-46.7-176.7-58.50000112.4Y103 P105 A321 I323 E332 S333 T338 Y339 A340Y103-T336 HydrophobicContact CD1-CG2 4.03Å; Y103-T336 HydrophobicContact CE1-CG2 4.03Å; P105-T336 WeakPolarHBondContact CD-OG1 3.4Å; A321-T336 HydrophobicContact CB-CG2 4.23Å; I323-T336 HydrophobicContact CG2-CG2 3.83Å; E332-T336 WeakPolarHBondContact O-CB 3.42Å; E332-T336 PolarHBondContact O-N 3.24Å; E332-T336 PolarHBondContact O-OG1 3.5Å; S333-T336 PolarHBondContact O-N 3.11Å; T336-T338 VanDerWaalsContact C-N 3.34Å; T336-T338 PolarHBondContact O-N 2.96Å; T336-Y339 WeakPolarHBondContact O-CB 3.49Å; T336-Y339 PolarHBondContact O-N 2.85Å; T336-Y339 VanDerWaalsContact O-N 3.17Å; T336-A340 WeakPolarHBondContact O-CB 3.42Å; T336-A340 PolarHBondContact O-N 3.24Å
337L95.7Very high91.9Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-58.8-44174.5-73.1162.1000111.7L16 L44 Y65 F67 I323 S333 Y339 A340 D341L16-L337 HydrophobicContact CD1-CD2 3.69Å; L16-L337 HydrophobicContact CD2-CD2 3.64Å; L16-L337 HydrophobicContact CG-CD2 4.3Å; L44-L337 HydrophobicContact CB-CD1 4.01Å; L44-L337 HydrophobicContact CD1-CD1 4.27Å; L44-L337 HydrophobicContact CD2-CD1 4.01Å; L44-L337 HydrophobicContact CG-CD1 4.33Å; Y65-L337 HydrophobicContact CD1-CB 3.83Å; Y65-L337 HydrophobicContact CD2-CB 3.97Å; Y65-L337 HydrophobicContact CD2-CD1 3.94Å; Y65-L337 HydrophobicContact CD2-CD2 4.18Å; Y65-L337 HydrophobicContact CD2-CG 4.27Å; Y65-L337 HydrophobicContact CE1-CB 3.6Å; Y65-L337 HydrophobicContact CE2-CB 3.74Å; Y65-L337 HydrophobicContact CE2-CD1 3.77Å; Y65-L337 HydrophobicContact CE2-CG 4.27Å; Y65-L337 HydrophobicContact CG-CB 3.99Å; Y65-L337 HydrophobicContact CG-CD2 4.19Å; F67-L337 HydrophobicContact CE2-CD2 3.49Å; F67-L337 VanDerWaalsContact CE2-CD2 3.49Å; F67-L337 HydrophobicContact CZ-CD2 3.57Å; I323-L337 HydrophobicContact CD1-CD1 4.07Å; I323-L337 HydrophobicContact CD1-CD2 4.24Å; I323-L337 HydrophobicContact CD1-CG 4.25Å; I323-L337 HydrophobicContact CG2-CG 4.44Å; S333-L337 WeakPolarHBondContact O-CB 3.35Å; S333-L337 WeakPolarHBondContact O-CD1 3.25Å; S333-L337 VanDerWaalsContact O-CG 3.24Å; S333-L337 WeakPolarHBondContact O-CG 3.3Å; S333-L337 PolarHBondContact O-N 2.78Å; L337-Y339 VanDerWaalsContact C-N 3.27Å; L337-Y339 PolarHBondContact O-N 2.65Å; L337-A340 PolarHBondContact O-N 3.46Å; L337-D341 VanDerWaalsContact O-CB 3.29Å; L337-D341 WeakPolarHBondContact O-CB 3.26Å; L337-D341 PolarHBondContact O-N 3Å
338T93.4Very high91.6Very high33 Ų3340.9 Ų40.920%0.20220%0.195CC..Hα-helixtrans-69.5-23.1178.3-56.40000113.1Y65 R334 N335 T336 R342Y65-T338 PolarHBondContact OH-OG1 3.06Å; R334-T338 WeakPolarHBondContact O-CB 3.42Å; R334-T338 PolarHBondContact O-N 3.18Å; R334-T338 VanDerWaalsContact O-N 3.12Å; R334-T338 PolarHBondContact O-OG1 2.95Å; N335-T338 PolarHBondContact O-N 3.42Å; T336-T338 VanDerWaalsContact C-N 3.34Å; T336-T338 PolarHBondContact O-N 2.96Å; T338-R342 WeakPolarHBondContact O-CG 3.36Å
339Y92.4Very high91.4Very high29 Ų2943.8 Ų43.811%0.11420%0.196CC..Hα-helixtrans-79.8-46.6174.9-170.8-80.6000111.2Y103 L280 G281 I284 M319 N335 T336 L337 R342 A343Y103-Y339 HydrophobicContact CD1-CD1 4.01Å; Y103-Y339 HydrophobicContact CD1-CE1 4.26Å; Y103-Y339 HydrophobicContact CD2-CE1 4.22Å; Y103-Y339 AromaticContact CE1-CD1 3.53Å; Y103-Y339 HydrophobicContact CE1-CD1 3.53Å; Y103-Y339 HydrophobicContact CE1-CD2 4.38Å; Y103-Y339 AromaticContact CE1-CE1 3.92Å; Y103-Y339 HydrophobicContact CE1-CE1 3.92Å; Y103-Y339 AromaticContact CE1-CG 3.77Å; Y103-Y339 HydrophobicContact CE1-CG 3.77Å; Y103-Y339 HydrophobicContact CE2-CD1 4.33Å; Y103-Y339 AromaticContact CE2-CE1 3.88Å; Y103-Y339 HydrophobicContact CE2-CE1 3.88Å; Y103-Y339 HydrophobicContact CE2-CE2 4.35Å; Y103-Y339 AromaticContact CE2-CZ 3.87Å; Y103-Y339 HydrophobicContact CG-CE1 4.4Å; Y103-Y339 AromaticContact CZ-CD1 3.71Å; Y103-Y339 AromaticContact CZ-CD2 3.97Å; Y103-Y339 AromaticContact CZ-CE1 3.71Å; Y103-Y339 AromaticContact CZ-CE2 3.97Å; Y103-Y339 AromaticContact CZ-CG 3.82Å; Y103-Y339 AromaticContact CZ-CZ 3.83Å; Y103-Y339 WeakPolarHBondContact OH-CD2 3.32Å; L280-Y339 WeakPolarHBondContact CD2-OH 3.34Å; L280-Y339 VanDerWaalsContact CG-OH 3.28Å; L280-Y339 WeakPolarHBondContact CG-OH 3.44Å; G281-Y339 PolarHBondContact N-OH 2.95Å; I284-Y339 HydrophobicContact CD1-CD1 4.43Å; I284-Y339 HydrophobicContact CD1-CE1 3.51Å; M319-Y339 HydrophobicContact CE-CD1 3.75Å; M319-Y339 HydrophobicContact CE-CE1 4.1Å; N335-Y339 WeakPolarHBondContact O-CB 3.35Å; N335-Y339 PolarHBondContact O-N 2.8Å; T336-Y339 WeakPolarHBondContact O-CB 3.49Å; T336-Y339 PolarHBondContact O-N 2.85Å; T336-Y339 VanDerWaalsContact O-N 3.17Å; L337-Y339 VanDerWaalsContact C-N 3.27Å; L337-Y339 PolarHBondContact O-N 2.65Å; Y339-R342 PolarHBondContact O-N 2.83Å; Y339-A343 PolarHBondContact O-N 2.9Å
340A94.7Very high91.1Very high0 Ų043.1 Ų43.10%019%0.189CC..Hα-helixtrans-61.7-41.8177.800000112.3V14 F67 M319 A321 T336 L337 R342 A343 K344V14-A340 HydrophobicContact CG1-CB 3.81Å; F67-A340 HydrophobicContact CD1-CB 4.39Å; F67-A340 HydrophobicContact CE1-CB 3.6Å; F67-A340 HydrophobicContact CZ-CB 4.27Å; M319-A340 HydrophobicContact CE-CB 3.98Å; M319-A340 HydrophobicContact SD-CB 4.45Å; A321-A340 HydrophobicContact CB-CB 3.73Å; T336-A340 WeakPolarHBondContact O-CB 3.42Å; T336-A340 PolarHBondContact O-N 3.24Å; L337-A340 PolarHBondContact O-N 3.46Å; A340-R342 VanDerWaalsContact C-N 3.29Å; A340-R342 PolarHBondContact O-N 3.4Å; A340-A343 WeakPolarHBondContact O-CB 3.44Å; A340-A343 PolarHBondContact O-N 3.08Å; A340-A343 VanDerWaalsContact O-N 3.14Å; A340-K344 PolarHBondContact O-N 3.47Å; A340-K344 VanDerWaalsContact O-N 3.08Å
341D93Very high90.8Very high77 Ų7747.7 Ų47.741%0.41221%0.209SC..Hα-helixtrans-55.9-38.5173.8178.564.2000112.9Y65 L337Y65-D341 HydrophobicContact CD1-CB 4.25Å; L337-D341 VanDerWaalsContact O-CB 3.29Å; L337-D341 WeakPolarHBondContact O-CB 3.26Å; L337-D341 PolarHBondContact O-N 3Å
342R91.8Very high90.7Very high108 Ų10847.1 Ų47.141%0.40821%0.206SC..Hα-helixtrans-75.7-37.1174.6-64.2177.3-160.3-179.64.9112.9I284 N285 S288 T338 Y339 A340 K344 S345I284-R342 HydrophobicContact CG2-CB 4.26Å; N285-R342 VanDerWaalsContact OD1-CD 3.31Å; N285-R342 WeakPolarHBondContact OD1-CD 3.41Å; N285-R342 PolarHBondContact OD1-NH1 3.46Å; S288-R342 WeakPolarHBondContact CB-O 3.49Å; T338-R342 WeakPolarHBondContact O-CG 3.36Å; Y339-R342 PolarHBondContact O-N 2.83Å; A340-R342 VanDerWaalsContact C-N 3.29Å; A340-R342 PolarHBondContact O-N 3.4Å; R342-K344 PolarHBondContact O-N 3.07Å; R342-S345 PolarHBondContact O-N 3.15Å; R342-S345 PolarHBondContact O-OG 3.31Å
343A91.8Very high90.4Very high0 Ų048 Ų480%021%0.211CC..Hα-helixtrans-59.7-34.9176.700000111.3L12 V14 I284 M319 Y339 A340 S345 I346L12-A343 HydrophobicContact CD2-CB 4.26Å; V14-A343 HydrophobicContact CG2-CB 4.15Å; I284-A343 HydrophobicContact CD1-CB 4.27Å; I284-A343 HydrophobicContact CG2-CB 4.24Å; M319-A343 HydrophobicContact SD-CB 3.53Å; M319-A343 VanDerWaalsContact SD-CB 3.53Å; Y339-A343 PolarHBondContact O-N 2.9Å; A340-A343 WeakPolarHBondContact O-CB 3.44Å; A340-A343 PolarHBondContact O-N 3.08Å; A340-A343 VanDerWaalsContact O-N 3.14Å; A343-S345 PolarHBondContact O-N 2.92Å; A343-I346 VanDerWaalsContact O-CB 3.29Å; A343-I346 WeakPolarHBondContact O-CB 3.48Å; A343-I346 WeakPolarHBondContact O-CG1 3.21Å; A343-I346 PolarHBondContact O-N 3.01Å; A343-I346 VanDerWaalsContact O-N 3.12Å
344K90.9Very high89.5Confident39 Ų3951.8 Ų51.817%0.1723%0.231CC..THydrogen-bonded Turntrans-60.6-24.5178.9-176.2164.9167.9160.20114.2Q11 V14 M66 F67 D68 A340 R342 I346Q11-K344 VanDerWaalsContact CG-O 3.24Å; Q11-K344 WeakPolarHBondContact CG-O 3.47Å; Q11-K344 PolarHBondContact NE2-O 3.04Å; V14-K344 HydrophobicContact CB-CB 4.24Å; V14-K344 HydrophobicContact CG2-CB 3.73Å; V14-K344 HydrophobicContact CG2-CG 4.49Å; M66-K344 WeakPolarHBondContact O-CD 3.12Å; M66-K344 PolarHBondContact O-NZ 2.71Å; F67-K344 PolarHBondContact O-NZ 3.01Å; D68-K344 WeakPolarHBondContact OD1-CE 3.34Å; D68-K344 IonicContact OD1-NZ 2.64Å; D68-K344 PolarHBondContact OD1-NZ 3.11Å; A340-K344 PolarHBondContact O-N 3.47Å; A340-K344 VanDerWaalsContact O-N 3.08Å; R342-K344 PolarHBondContact O-N 3.07Å; K344-I346 VanDerWaalsContact C-N 3.33Å
345S88.8Confident88.3Confident48 Ų4851.2 Ų51.234%0.33623%0.234SC..THydrogen-bonded Turntrans-83.8-5.9178.273.30000114.5S288 R342 A343S288-S345 VanDerWaalsContact CA-OG 3.3Å; S288-S345 WeakPolarHBondContact CA-OG 3.47Å; S288-S345 VanDerWaalsContact CB-OG 3.25Å; S288-S345 WeakPolarHBondContact CB-OG 3.41Å; S288-S345 PolarHBondContact O-OG 3.38Å; R342-S345 PolarHBondContact O-N 3.15Å; R342-S345 PolarHBondContact O-OG 3.31Å; A343-S345 PolarHBondContact O-N 2.92Å
346I89.5Confident86.3Confident1 Ų151.4 Ų51.41%0.00524%0.236CC..  trans-70.5143.3-179.4-62.7178.8000110.8Q11 L12 I284 L287 L311 A343 K344Q11-I346 WeakPolarHBondContact CA-O 3.31Å; L12-I346 HydrophobicContact CB-CB 4.08Å; L12-I346 HydrophobicContact CB-CG2 4.36Å; L12-I346 HydrophobicContact CD1-CB 4.32Å; L12-I346 HydrophobicContact CD1-CG2 4.2Å; L12-I346 PolarHBondContact N-O 2.95Å; I284-I346 HydrophobicContact CB-CD1 4.1Å; I284-I346 HydrophobicContact CG1-CD1 3.76Å; I284-I346 HydrophobicContact CG2-CD1 4.06Å; L287-I346 HydrophobicContact CB-CD1 3.88Å; L287-I346 HydrophobicContact CB-CG1 3.83Å; L287-I346 HydrophobicContact CB-CG2 4.25Å; L287-I346 HydrophobicContact CD1-CD1 4.28Å; L287-I346 HydrophobicContact CD1-CG2 4.48Å; L311-I346 WeakPolarHBondContact O-CG2 3.38Å; A343-I346 VanDerWaalsContact O-CB 3.29Å; A343-I346 WeakPolarHBondContact O-CB 3.48Å; A343-I346 WeakPolarHBondContact O-CG1 3.21Å; A343-I346 PolarHBondContact O-N 3.01Å; A343-I346 VanDerWaalsContact O-N 3.12Å; K344-I346 VanDerWaalsContact C-N 3.33Å
347R87.3Confident83.9Confident162 Ų16256.7 Ų56.761%0.61127%0.267SS*.EExtended strand (participates in β ladder)trans-123.9128.1175.7-62.5-179.4176.8-165.4-4.5110.6Q10Q10-R347 CarbonylContact O-C 3.56Å; Q10-R347 WeakPolarHBondContact O-CA 3.32Å
348T85.9Confident81.4Confident1 Ų157.5 Ų57.51%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-101.8159.117365.40000110.7Q10 S315Q10-T348 PolarHBondContact N-O 3.48Å; Q10-T348 PolarHBondContact O-N 2.86Å; S315-T348 WeakPolarHBondContact O-CB 3.3Å; S315-T348 PolarHBondContact O-OG1 3.28Å
349R84.8Confident78.9Confident146 Ų14663.1 Ų63.155%0.55129%0.292SS*.EExtended strand (participates in β ladder)trans-109.280.4-178.8-80.2-171163180-1.3110.8D9 G313 K351D9-R349 VanDerWaalsContact OD1-CG 3.25Å; D9-R349 WeakPolarHBondContact OD1-CG 3.14Å; D9-R349 IonicContact OD1-CZ 2.61Å; D9-R349 IonicContact OD1-NE 3.36Å; D9-R349 PolarHBondContact OD1-NE 3.46Å; D9-R349 IonicContact OD1-NH2 2.67Å; D9-R349 PolarHBondContact OD1-NH2 3.24Å; D9-R349 IonicContact OD2-NH2 2.75Å; G313-R349 PolarHBondContact O-N 2.97Å; R349-K351 PolarHBondContact O-N 3.38Å
350V85.6Confident76.6Confident7 Ų765 Ų654%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-68.7126.6-175-178.60000110.3Q10 Y96 N314 R316Q10-V350 HydrophobicContact CB-CG2 3.79Å; Y96-V350 HydrophobicContact CD1-CG1 3.48Å; Y96-V350 VanDerWaalsContact CD1-CG1 3.48Å; Y96-V350 HydrophobicContact CE1-CG1 4.02Å; Y96-V350 HydrophobicContact CG-CG1 4.3Å; N314-V350 WeakPolarHBondContact OD1-CA 3.44Å; R316-V350 HydrophobicContact CG-CG1 3.99Å; R316-V350 HydrophobicContact CG-CG2 3.92Å
351K85.8Confident74.1Confident116 Ų11670 Ų7050%0.50433%0.327SS..  trans-138141.6-179.2-70-179179.3-176.20109.9N314 R349 N353N314-K351 PolarHBondContact ND2-O 3.47Å; N314-K351 PolarHBondContact OD1-N 3.24Å; N314-K351 PolarHBondContact OD1-O 2.89Å; R349-K351 PolarHBondContact O-N 3.38Å; K351-N353 PolarHBondContact O-N 3.1Å
352K86.3Confident71.5Confident60 Ų6068.3 Ų68.326%0.26132%0.324SS..  trans-72.1121.2175.3-162.8-179.8-174.7-176.10109.3S94 Y96 L354S94-K352 WeakPolarHBondContact O-CE 3.24Å; S94-K352 WeakPolarHBondContact O-CG 3.41Å; Y96-K352 HydrophobicContact CD1-CB 4.32Å; Y96-K352 HydrophobicContact CE1-CB 3.75Å; Y96-K352 HydrophobicContact CE1-CG 4.41Å; Y96-K352 HydrophobicContact CE2-CB 4.49Å; Y96-K352 HydrophobicContact CE2-CG 4.32Å; K352-L354 HydrophobicContact CD-CD2 4.1Å; K352-L354 HydrophobicContact CG-CD2 4.17Å; K352-L354 HydrophobicContact CG-CG 4.45Å; K352-L354 PolarHBondContact O-N 2.76Å; K352-L354 VanDerWaalsContact O-N 3.14Å
353N84Confident69Low39 Ų3967.3 Ų67.321%0.20932%0.324CS..  trans-80.992.7179.6-68.5-33.3000110.1G95 N97 R242 F243 N314 K351G95-N353 WeakPolarHBondContact O-CB 3.46Å; G95-N353 PolarHBondContact O-N 3.44Å; N97-N353 VanDerWaalsContact CG-ND2 3.25Å; N97-N353 PolarHBondContact ND2-ND2 2.8Å; N97-N353 PolarHBondContact OD1-ND2 3.33Å; R242-N353 WeakPolarHBondContact CA-O 3.25Å; F243-N353 PolarHBondContact N-O 3.45Å; F243-N353 VanDerWaalsContact N-O 3.09Å; F243-N353 WeakPolarHBondContact O-CB 3.3Å; F243-N353 PolarHBondContact O-ND2 2.78Å; F243-N353 VanDerWaalsContact O-ND2 3.11Å; N314-N353 PolarHBondContact ND2-OD1 3.17Å; K351-N353 PolarHBondContact O-N 3.1Å
354L77.3Confident66.8Low80 Ų8070.7 Ų70.742%0.41934%0.337SS..EExtended strand (participates in β ladder)trans-92.5105.5172.5-59.3178.9000109.6E240 V241 R242 K352 N356E240-L354 HydrophobicContact CG-CD2 4.49Å; V241-L354 CarbonylContact O-C 3.56Å; R242-L354 HydrophobicContact CG-CD2 3.52Å; K352-L354 HydrophobicContact CD-CD2 4.1Å; K352-L354 HydrophobicContact CG-CD2 4.17Å; K352-L354 HydrophobicContact CG-CG 4.45Å; K352-L354 PolarHBondContact O-N 2.76Å; K352-L354 VanDerWaalsContact O-N 3.14Å; L354-N356 PolarHBondContact O-N 3.49Å
355I68.6Low64.6Low86 Ų8673 Ų7344%0.44135%0.354SS..EExtended strand (participates in β ladder)trans-76.878.4161.6-56-176000106.5V241 F243 V357V241-I355 HydrophobicContact CB-CB 4.31Å; V241-I355 WeakPolarHBondContact CB-O 3.25Å; V241-I355 HydrophobicContact CG1-CB 4.35Å; V241-I355 CarbonylContact O-C 3.58Å; V241-I355 WeakPolarHBondContact O-CA 3.35Å; V241-I355 PolarHBondContact O-N 3.3Å; F243-I355 HydrophobicContact CB-CD1 3.44Å; F243-I355 VanDerWaalsContact CB-CD1 3.44Å; F243-I355 HydrophobicContact CB-CG1 3.85Å; F243-I355 HydrophobicContact CD1-CD1 4.34Å; F243-I355 HydrophobicContact CD2-CD1 4.4Å; F243-I355 HydrophobicContact CG-CD1 3.82Å; I355-V357 PolarHBondContact O-N 3.41Å
356N49.1Very low62.5Low48 Ų4875.7 Ų75.726%0.25737%0.365SS..EExtended strand (participates in β ladder)trans-69.5106175.6-172.78.5000109.4L354 S358 Y359L354-N356 PolarHBondContact O-N 3.49Å; N356-S358 VanDerWaalsContact CG-OG 3.27Å; N356-S358 PolarHBondContact ND2-OG 3.09Å; N356-S358 VanDerWaalsContact ND2-OG 3.11Å; N356-S358 PolarHBondContact O-N 3Å; N356-S358 WeakPolarHBondContact OD1-CA 3.49Å; N356-S358 WeakPolarHBondContact OD1-CB 3.35Å; N356-S358 PolarHBondContact OD1-N 3.08Å; N356-S358 PolarHBondContact OD1-OG 2.95Å; N356-Y359 WeakPolarHBondContact O-CB 3.36Å; N356-Y359 PolarHBondContact O-N 3.38Å
357V45.6Very low60.8Low110 Ų11079.6 Ų79.667%0.66739%0.385SS*.THydrogen-bonded Turntrans-60.8-24.2174-176.10000110.7V241 I355 Y359V241-V357 HydrophobicContact CB-CG2 4.43Å; V241-V357 HydrophobicContact CG2-CG2 3.77Å; I355-V357 PolarHBondContact O-N 3.41Å; V357-Y359 VanDerWaalsContact C-N 3.34Å; V357-Y359 PolarHBondContact O-N 2.77Å
358S43.3Very low59.5Low17 Ų1775.6 Ų75.612%0.11938%0.375CS..THydrogen-bonded Turntrans-90.929.8172.473.90000114.6N356 H360 I361 A362N356-S358 VanDerWaalsContact CG-OG 3.27Å; N356-S358 PolarHBondContact ND2-OG 3.09Å; N356-S358 VanDerWaalsContact ND2-OG 3.11Å; N356-S358 PolarHBondContact O-N 3Å; N356-S358 WeakPolarHBondContact OD1-CA 3.49Å; N356-S358 WeakPolarHBondContact OD1-CB 3.35Å; N356-S358 PolarHBondContact OD1-N 3.08Å; N356-S358 PolarHBondContact OD1-OG 2.95Å; S358-H360 PolarHBondContact O-N 3.16Å; S358-H360 VanDerWaalsContact O-N 3.08Å; S358-I361 PolarHBondContact O-N 3.35Å; S358-A362 PolarHBondContact O-N 3.41Å
359Y40.4Very low58.2Low151 Ų15178.4 Ų78.459%0.59240%0.395SS*.Hα-helixtrans-51.2-34.9178.4-162.3-96.8000112.7N356 V357 Q363N356-Y359 WeakPolarHBondContact O-CB 3.36Å; N356-Y359 PolarHBondContact O-N 3.38Å; V357-Y359 VanDerWaalsContact C-N 3.34Å; V357-Y359 PolarHBondContact O-N 2.77Å; Y359-Q363 HydrophobicContact CD1-CG 4.48Å; Y359-Q363 HydrophobicContact CE1-CG 4.33Å; Y359-Q363 WeakPolarHBondContact O-CB 3.48Å; Y359-Q363 VanDerWaalsContact O-CG 3.31Å; Y359-Q363 WeakPolarHBondContact O-CG 3.39Å; Y359-Q363 PolarHBondContact O-N 3.49Å; Y359-Q363 PolarHBondContact OH-NE2 2.74Å
360H43.8Very low57Low68 Ų6876.5 Ų76.532%0.31540%0.395SS..Hα-helixtrans-59.9-61.4170.4-85.4-86.2000113.1S358 A362 Q363 Y364 N573 Q577S358-H360 PolarHBondContact O-N 3.16Å; S358-H360 VanDerWaalsContact O-N 3.08Å; H360-A362 PolarHBondContact O-N 3.32Å; H360-Q363 PolarHBondContact O-N 3.48Å; H360-Q363 VanDerWaalsContact O-N 3.16Å; H360-Y364 HydrophobicContact CB-CD2 4.2Å; H360-Y364 HydrophobicContact CB-CE2 3.74Å; H360-Y364 AromaticContact ND1-CE2 3.5Å; H360-Y364 AromaticContact ND1-CZ 3.69Å; H360-Y364 PolarHBondContact ND1-OH 2.83Å; H360-Y364 WeakPolarHBondContact O-CD2 3.29Å; H360-Y364 PolarHBondContact O-N 2.88Å; H360-N573 PolarHBondContact CE1-ND2 3.45Å; H360-Q577 PolarHBondContact NE2-NE2 3.16Å
361I41.7Very low55.8Low106 Ų10680.9 Ų80.954%0.54442%0.418SS..Hα-helixtrans-63.1-41.8-167-57.1177000112.4S358 Y364 T365S358-I361 PolarHBondContact O-N 3.35Å; I361-Y364 PolarHBondContact O-N 2.95Å; I361-T365 PolarHBondContact O-N 2.89Å; I361-T365 PolarHBondContact O-OG1 3.46Å
362A39Very low54.9Low42 Ų4283.6 Ų83.635%0.34743%0.425SS..Hα-helixtrans-68.3-38.2178.400000112S358 H360 T365 N366S358-A362 PolarHBondContact O-N 3.41Å; H360-A362 PolarHBondContact O-N 3.32Å; A362-T365 PolarHBondContact O-N 3.27Å; A362-N366 PolarHBondContact O-N 3.36Å
363Q40.1Very low53.9Low86 Ų8684.3 Ų84.340%0.40244%0.437SS..Hα-helixtrans-66.1-44.1174-75.3-161.9-37.700111.7Y359 H360 T365 N366 I367Y359-Q363 HydrophobicContact CD1-CG 4.48Å; Y359-Q363 HydrophobicContact CE1-CG 4.33Å; Y359-Q363 WeakPolarHBondContact O-CB 3.48Å; Y359-Q363 VanDerWaalsContact O-CG 3.31Å; Y359-Q363 WeakPolarHBondContact O-CG 3.39Å; Y359-Q363 PolarHBondContact O-N 3.49Å; Y359-Q363 PolarHBondContact OH-NE2 2.74Å; H360-Q363 PolarHBondContact O-N 3.48Å; H360-Q363 VanDerWaalsContact O-N 3.16Å; Q363-T365 VanDerWaalsContact C-N 3.29Å; Q363-T365 PolarHBondContact O-N 2.91Å; Q363-N366 PolarHBondContact O-N 3.13Å; Q363-I367 HydrophobicContact CB-CD1 4.3Å; Q363-I367 WeakPolarHBondContact O-CB 3.4Å; Q363-I367 WeakPolarHBondContact O-CD1 3.35Å; Q363-I367 VanDerWaalsContact O-CG1 3.23Å; Q363-I367 WeakPolarHBondContact O-CG1 3.35Å; Q363-I367 PolarHBondContact O-N 2.77Å
364Y45.8Very low53.1Low71 Ų7185.6 Ų85.628%0.27844%0.442SS..Hα-helixtrans-58.3-41173.7-67.9-53000112.5H360 I361 N366 I367 I368 E570H360-Y364 HydrophobicContact CB-CD2 4.2Å; H360-Y364 HydrophobicContact CB-CE2 3.74Å; H360-Y364 AromaticContact ND1-CE2 3.5Å; H360-Y364 AromaticContact ND1-CZ 3.69Å; H360-Y364 PolarHBondContact ND1-OH 2.83Å; H360-Y364 WeakPolarHBondContact O-CD2 3.29Å; H360-Y364 PolarHBondContact O-N 2.88Å; I361-Y364 PolarHBondContact O-N 2.95Å; Y364-N366 VanDerWaalsContact C-N 3.33Å; Y364-N366 PolarHBondContact O-N 2.83Å; Y364-I367 PolarHBondContact O-N 2.82Å; Y364-I368 WeakPolarHBondContact O-CB 3.41Å; Y364-I368 WeakPolarHBondContact O-CD1 3.33Å; Y364-I368 WeakPolarHBondContact O-CG1 3.49Å; Y364-I368 PolarHBondContact O-N 3.19Å; Y364-E570 WeakPolarHBondContact CE1-OE1 3.08Å; Y364-E570 WeakPolarHBondContact OH-CG 3.49Å; Y364-E570 PolarHBondContact OH-OE1 3.14Å
365T43.5Very low53Low87 Ų8785.4 Ų85.453%0.53444%0.44SS..Hα-helixtrans-62-42179.3-530000111.6I361 A362 Q363 S369I361-T365 PolarHBondContact O-N 2.89Å; I361-T365 PolarHBondContact O-OG1 3.46Å; A362-T365 PolarHBondContact O-N 3.27Å; Q363-T365 VanDerWaalsContact C-N 3.29Å; Q363-T365 PolarHBondContact O-N 2.91Å; T365-S369 WeakPolarHBondContact O-CB 3.36Å; T365-S369 PolarHBondContact O-N 3.29Å; T365-S369 VanDerWaalsContact O-N 3.09Å
366N44.4Very low53.4Low105 Ų10588 Ų8856%0.56145%0.451SS*.Hα-helixtrans-71.3-47.8176.3-69-8.2000112A362 Q363 Y364 I368 S369 D370A362-N366 PolarHBondContact O-N 3.36Å; Q363-N366 PolarHBondContact O-N 3.13Å; Y364-N366 VanDerWaalsContact C-N 3.33Å; Y364-N366 PolarHBondContact O-N 2.83Å; N366-I368 VanDerWaalsContact C-N 3.3Å; N366-I368 PolarHBondContact O-N 3.32Å; N366-S369 CarbonylContact O-C 3.58Å; N366-S369 WeakPolarHBondContact O-CA 3.42Å; N366-S369 VanDerWaalsContact O-CB 3.28Å; N366-S369 WeakPolarHBondContact O-CB 3.46Å; N366-S369 PolarHBondContact O-N 3.31Å; N366-D370 PolarHBondContact O-N 3.2Å
367I54.8Low55Low84 Ų8491.6 Ų91.643%0.43146%0.461SS..Hα-helixtrans-59.2-41178.2-68.5164.7000110.8Q363 Y364 S369 D370 L371Q363-I367 HydrophobicContact CB-CD1 4.3Å; Q363-I367 WeakPolarHBondContact O-CB 3.4Å; Q363-I367 WeakPolarHBondContact O-CD1 3.35Å; Q363-I367 VanDerWaalsContact O-CG1 3.23Å; Q363-I367 WeakPolarHBondContact O-CG1 3.35Å; Q363-I367 PolarHBondContact O-N 2.77Å; Y364-I367 PolarHBondContact O-N 2.82Å; I367-S369 VanDerWaalsContact C-N 3.33Å; I367-S369 PolarHBondContact O-N 2.88Å; I367-D370 PolarHBondContact O-N 3.25Å; I367-L371 HydrophobicContact CG2-CD1 3.76Å; I367-L371 HydrophobicContact CG2-CG 4.3Å; I367-L371 VanDerWaalsContact O-CB 3.25Å; I367-L371 WeakPolarHBondContact O-CB 3.44Å; I367-L371 WeakPolarHBondContact O-CG 3.47Å; I367-L371 PolarHBondContact O-N 3.32Å
368I60.6Low56.3Low77 Ų7790 Ų9040%0.39545%0.448SS..Hα-helixtrans-65.3-36.4173.9-70.6165.7000111Y364 N366 R372Y364-I368 WeakPolarHBondContact O-CB 3.41Å; Y364-I368 WeakPolarHBondContact O-CD1 3.33Å; Y364-I368 WeakPolarHBondContact O-CG1 3.49Å; Y364-I368 PolarHBondContact O-N 3.19Å; N366-I368 VanDerWaalsContact C-N 3.3Å; N366-I368 PolarHBondContact O-N 3.32Å; I368-R372 HydrophobicContact CG2-CG 4.49Å; I368-R372 VanDerWaalsContact O-CB 3.27Å; I368-R372 WeakPolarHBondContact O-CB 3.48Å; I368-R372 WeakPolarHBondContact O-CD 3.28Å; I368-R372 WeakPolarHBondContact O-CG 3.37Å; I368-R372 PolarHBondContact O-N 3.08Å
369S56.9Low57.8Low60 Ų6095.7 Ų95.742%0.4247%0.471SS..Hα-helixtrans-66.3-46.8174.5-170.20000111.8T365 N366 I367 R372 C373T365-S369 WeakPolarHBondContact O-CB 3.36Å; T365-S369 PolarHBondContact O-N 3.29Å; T365-S369 VanDerWaalsContact O-N 3.09Å; N366-S369 CarbonylContact O-C 3.58Å; N366-S369 WeakPolarHBondContact O-CA 3.42Å; N366-S369 VanDerWaalsContact O-CB 3.28Å; N366-S369 WeakPolarHBondContact O-CB 3.46Å; N366-S369 PolarHBondContact O-N 3.31Å; I367-S369 VanDerWaalsContact C-N 3.33Å; I367-S369 PolarHBondContact O-N 2.88Å; S369-R372 WeakPolarHBondContact O-CB 3.37Å; S369-R372 PolarHBondContact O-N 2.9Å; S369-C373 PolarHBondContact O-N 3.05Å; S369-C373 PolarHBondContact O-SG 3.33Å
370D60.1Low59.6Low106 Ų10694.7 Ų94.757%0.56747%0.469SS*.Hα-helixtrans-67-43.3-179.1-64.6-24.7000111.2N366 I367 R372 C373 E374N366-D370 PolarHBondContact O-N 3.2Å; I367-D370 PolarHBondContact O-N 3.25Å; D370-R372 VanDerWaalsContact C-N 3.33Å; D370-R372 PolarHBondContact O-N 3.12Å; D370-C373 PolarHBondContact O-N 2.85Å; D370-E374 WeakPolarHBondContact O-CB 3.4Å; D370-E374 PolarHBondContact O-N 3.37Å
371L61.1Low61.1Low100 Ų10096.1 Ų96.152%0.52447%0.474SS..Hα-helixtrans-62.3-36.7172.1-71.9171.7000112.2I367 E374 I375I367-L371 HydrophobicContact CG2-CD1 3.76Å; I367-L371 HydrophobicContact CG2-CG 4.3Å; I367-L371 VanDerWaalsContact O-CB 3.25Å; I367-L371 WeakPolarHBondContact O-CB 3.44Å; I367-L371 WeakPolarHBondContact O-CG 3.47Å; I367-L371 PolarHBondContact O-N 3.32Å; L371-E374 PolarHBondContact O-N 2.84Å; L371-I375 WeakPolarHBondContact O-CB 3.42Å; L371-I375 WeakPolarHBondContact O-CD1 3.32Å; L371-I375 WeakPolarHBondContact O-CG1 3.36Å; L371-I375 PolarHBondContact O-N 3.26Å
372R66.2Low62.7Low173 Ų17396.3 Ų96.365%0.65348%0.475SS*.Hα-helixtrans-66-44.8174.3-79.5167.4-179.8-172.60.7111.7I368 S369 D370 E374 I375 Q376I368-R372 HydrophobicContact CG2-CG 4.49Å; I368-R372 VanDerWaalsContact O-CB 3.27Å; I368-R372 WeakPolarHBondContact O-CB 3.48Å; I368-R372 WeakPolarHBondContact O-CD 3.28Å; I368-R372 WeakPolarHBondContact O-CG 3.37Å; I368-R372 PolarHBondContact O-N 3.08Å; S369-R372 WeakPolarHBondContact O-CB 3.37Å; S369-R372 PolarHBondContact O-N 2.9Å; D370-R372 VanDerWaalsContact C-N 3.33Å; D370-R372 PolarHBondContact O-N 3.12Å; R372-E374 VanDerWaalsContact C-N 3.34Å; R372-E374 PolarHBondContact O-N 3.32Å; R372-I375 PolarHBondContact O-N 2.85Å; R372-Q376 WeakPolarHBondContact O-CB 3.22Å; R372-Q376 PolarHBondContact O-N 2.85Å
373C65.2Low64.4Low75 Ų7597.1 Ų97.151%0.50748%0.483SS..Hα-helixtrans-60-43.6174.1-73.80000111.6S369 D370 Q376 R377S369-C373 PolarHBondContact O-N 3.05Å; S369-C373 PolarHBondContact O-SG 3.33Å; D370-C373 PolarHBondContact O-N 2.85Å; C373-Q376 PolarHBondContact O-N 2.82Å; C373-R377 WeakPolarHBondContact O-CB 3.47Å; C373-R377 PolarHBondContact O-N 2.9Å
374E67.6Low65.9Low66 Ų6696.8 Ų96.831%0.30848%0.481SS..Hα-helixtrans-68.6-42.5179.1-177.854.9-160.900112.1D370 L371 R372 Q376 R377 L378D370-E374 WeakPolarHBondContact O-CB 3.4Å; D370-E374 PolarHBondContact O-N 3.37Å; L371-E374 PolarHBondContact O-N 2.84Å; R372-E374 VanDerWaalsContact C-N 3.34Å; R372-E374 PolarHBondContact O-N 3.32Å; E374-Q376 VanDerWaalsContact C-N 3.27Å; E374-Q376 PolarHBondContact O-N 2.81Å; E374-R377 WeakPolarHBondContact O-CB 3.45Å; E374-R377 PolarHBondContact O-N 2.83Å; E374-R377 IonicContact OE1-CZ 3.51Å; E374-R377 IonicContact OE1-NE 3.41Å; E374-R377 PolarHBondContact OE1-NE 3.02Å; E374-R377 IonicContact OE1-NH2 3.24Å; E374-R377 PolarHBondContact OE1-NH2 2.62Å; E374-R377 IonicContact OE2-CZ 3.48Å; E374-R377 VanDerWaalsContact OE2-CZ 3.31Å; E374-R377 IonicContact OE2-NE 3.31Å; E374-R377 PolarHBondContact OE2-NE 2.82Å; E374-R377 IonicContact OE2-NH2 3.91Å; E374-R377 PolarHBondContact OE2-NH2 2.98Å; E374-L378 HydrophobicContact CG-CD1 3.99Å; E374-L378 HydrophobicContact CG-CG 4.41Å; E374-L378 WeakPolarHBondContact O-CB 3.35Å; E374-L378 VanDerWaalsContact O-CG 3.29Å; E374-L378 WeakPolarHBondContact O-CG 3.33Å; E374-L378 PolarHBondContact O-N 3.45Å; E374-L378 WeakPolarHBondContact OE1-CG 3.31Å
375I75.1Confident66.7Low75 Ų7599.6 Ų99.639%0.38550%0.496SS..Hα-helixtrans-57.9-40.9171.2-72.9164.5000110.9L371 R372 K379L371-I375 WeakPolarHBondContact O-CB 3.42Å; L371-I375 WeakPolarHBondContact O-CD1 3.32Å; L371-I375 WeakPolarHBondContact O-CG1 3.36Å; L371-I375 PolarHBondContact O-N 3.26Å; R372-I375 PolarHBondContact O-N 2.85Å; I375-K379 HydrophobicContact CG2-CD 4.14Å; I375-K379 HydrophobicContact CG2-CG 4.49Å; I375-K379 WeakPolarHBondContact O-CB 3.46Å; I375-K379 VanDerWaalsContact O-CG 3.28Å; I375-K379 WeakPolarHBondContact O-CG 3.43Å; I375-K379 PolarHBondContact O-N 3.29Å
376Q76.8Confident67.5Low142 Ų14298.1 Ų98.166%0.66449%0.493SS*.Hα-helixtrans-68.1-39.5177.5-168.1171.85.300111.9R372 C373 E374 K380R372-Q376 WeakPolarHBondContact O-CB 3.22Å; R372-Q376 PolarHBondContact O-N 2.85Å; C373-Q376 PolarHBondContact O-N 2.82Å; E374-Q376 VanDerWaalsContact C-N 3.27Å; E374-Q376 PolarHBondContact O-N 2.81Å; Q376-K380 PolarHBondContact O-N 2.99Å
377R82.3Confident67.9Low123 Ų12397.3 Ų97.346%0.46450%0.496SS..Hα-helixtrans-63.7-44.8174.5-167.9-17174.4122.90.4112C373 E374 K380 K381C373-R377 WeakPolarHBondContact O-CB 3.47Å; C373-R377 PolarHBondContact O-N 2.9Å; E374-R377 WeakPolarHBondContact O-CB 3.45Å; E374-R377 PolarHBondContact O-N 2.83Å; E374-R377 IonicContact OE1-CZ 3.51Å; E374-R377 IonicContact OE1-NE 3.41Å; E374-R377 PolarHBondContact OE1-NE 3.02Å; E374-R377 IonicContact OE1-NH2 3.24Å; E374-R377 PolarHBondContact OE1-NH2 2.62Å; E374-R377 IonicContact OE2-CZ 3.48Å; E374-R377 VanDerWaalsContact OE2-CZ 3.31Å; E374-R377 IonicContact OE2-NE 3.31Å; E374-R377 PolarHBondContact OE2-NE 2.82Å; E374-R377 IonicContact OE2-NH2 3.91Å; E374-R377 PolarHBondContact OE2-NH2 2.98Å; R377-K380 PolarHBondContact O-N 2.9Å; R377-K381 PolarHBondContact O-N 2.95Å
378L73.3Confident67.9Low77 Ų77103.2 Ų103.240%0.40351%0.513SS..Hα-helixtrans-67.4-44.5177.9-69170.1000111.4E374 K380 K381 I382E374-L378 HydrophobicContact CG-CD1 3.99Å; E374-L378 HydrophobicContact CG-CG 4.41Å; E374-L378 WeakPolarHBondContact O-CB 3.35Å; E374-L378 VanDerWaalsContact O-CG 3.29Å; E374-L378 WeakPolarHBondContact O-CG 3.33Å; E374-L378 PolarHBondContact O-N 3.45Å; E374-L378 WeakPolarHBondContact OE1-CG 3.31Å; L378-K380 VanDerWaalsContact C-N 3.28Å; L378-K380 PolarHBondContact O-N 2.86Å; L378-K381 PolarHBondContact O-N 2.83Å; L378-K381 VanDerWaalsContact O-N 3.17Å; L378-I382 WeakPolarHBondContact O-CG1 3.39Å; L378-I382 PolarHBondContact O-N 2.97Å
379K75.5Confident67.4Low136 Ų136107.9 Ų107.959%0.59153%0.533SS*.Hα-helixtrans-56-41.4172.1-78.7-179.9176.9-173.30112I375 I382 A383I375-K379 HydrophobicContact CG2-CD 4.14Å; I375-K379 HydrophobicContact CG2-CG 4.49Å; I375-K379 WeakPolarHBondContact O-CB 3.46Å; I375-K379 VanDerWaalsContact O-CG 3.28Å; I375-K379 WeakPolarHBondContact O-CG 3.43Å; I375-K379 PolarHBondContact O-N 3.29Å; K379-I382 PolarHBondContact O-N 2.98Å; K379-A383 PolarHBondContact O-N 3.13Å; K379-A383 VanDerWaalsContact O-N 3.11Å
380K78.8Confident67.1Low130 Ų130111.6 Ų111.657%0.56555%0.553SS**Hα-helixtrans-64-45176-169.4172.9-170.6-87.30112.1Q376 R377 L378 I382 A383 E384Q376-K380 PolarHBondContact O-N 2.99Å; R377-K380 PolarHBondContact O-N 2.9Å; L378-K380 VanDerWaalsContact C-N 3.28Å; L378-K380 PolarHBondContact O-N 2.86Å; K380-I382 VanDerWaalsContact C-N 3.35Å; K380-I382 PolarHBondContact O-N 2.8Å; K380-A383 PolarHBondContact O-N 2.75Å; K380-E384 WeakPolarHBondContact CE-OE1 3.26Å; K380-E384 IonicContact NZ-OE1 3.98Å; K380-E384 PolarHBondContact NZ-OE1 2.8Å; K380-E384 WeakPolarHBondContact O-CG 3.48Å; K380-E384 PolarHBondContact O-N 2.87Å
381K73.9Confident66.4Low97 Ų97109.9 Ų109.942%0.42256%0.56SS.*Hα-helixtrans-59.9-41.3175.5-77.3-175.2170-171.40113.1R377 L378 A383 E384 Q385R377-K381 PolarHBondContact O-N 2.95Å; L378-K381 PolarHBondContact O-N 2.83Å; L378-K381 VanDerWaalsContact O-N 3.17Å; K381-A383 VanDerWaalsContact C-N 3.35Å; K381-E384 CarbonylContact O-C 3.59Å; K381-E384 PolarHBondContact O-N 2.86Å; K381-Q385 WeakPolarHBondContact O-CG 3.39Å; K381-Q385 PolarHBondContact O-N 3.35Å
382I76.6Confident65.4Low110 Ų110110 Ų11056%0.56457%0.569SS**Hα-helixtrans-64.1-41.7177.7-67.4164.8000110.4L378 K379 K380 Q385 A386L378-I382 WeakPolarHBondContact O-CG1 3.39Å; L378-I382 PolarHBondContact O-N 2.97Å; K379-I382 PolarHBondContact O-N 2.98Å; K380-I382 VanDerWaalsContact C-N 3.35Å; K380-I382 PolarHBondContact O-N 2.8Å; I382-Q385 PolarHBondContact O-N 3.13Å; I382-A386 WeakPolarHBondContact O-CB 3.38Å; I382-A386 PolarHBondContact O-N 2.82Å
383A74.6Confident64.5Low60 Ų60108.6 Ų108.650%0.49658%0.575SS.*Hα-helixtrans-63.8-41.1173.600000112.5K379 K380 K381 Q385 A386 S387K379-A383 PolarHBondContact O-N 3.13Å; K379-A383 VanDerWaalsContact O-N 3.11Å; K380-A383 PolarHBondContact O-N 2.75Å; K381-A383 VanDerWaalsContact C-N 3.35Å; A383-Q385 VanDerWaalsContact C-N 3.28Å; A383-Q385 PolarHBondContact O-N 2.7Å; A383-A386 PolarHBondContact O-N 2.97Å; A383-S387 PolarHBondContact O-N 2.82Å; A383-S387 PolarHBondContact O-OG 3.38Å
384E70.7Confident63.3Low78 Ų78114.8 Ų114.836%0.36459%0.587SS.*Hα-helixtrans-68.8-20.6175.6-71.5170.5176.700113.9K380 K381 S387 R388K380-E384 WeakPolarHBondContact CE-OE1 3.26Å; K380-E384 IonicContact NZ-OE1 3.98Å; K380-E384 PolarHBondContact NZ-OE1 2.8Å; K380-E384 WeakPolarHBondContact O-CG 3.48Å; K380-E384 PolarHBondContact O-N 2.87Å; K381-E384 CarbonylContact O-C 3.59Å; K381-E384 PolarHBondContact O-N 2.86Å; E384-S387 PolarHBondContact O-OG 3.02Å; E384-R388 WeakPolarHBondContact O-CD 3.3Å; E384-R388 WeakPolarHBondContact O-CG 3.28Å; E384-R388 PolarHBondContact O-NE 3.15Å
385Q62.8Low62.4Low130 Ų130114.8 Ų114.861%0.60760%0.599SS**Hα-helixtrans-83.6-42.9169.5-75.1179.8-73.600111.6K381 I382 A383 S387 R388K381-Q385 WeakPolarHBondContact O-CG 3.39Å; K381-Q385 PolarHBondContact O-N 3.35Å; I382-Q385 PolarHBondContact O-N 3.13Å; A383-Q385 VanDerWaalsContact C-N 3.28Å; A383-Q385 PolarHBondContact O-N 2.7Å; Q385-S387 VanDerWaalsContact C-N 3.3Å; Q385-S387 PolarHBondContact O-N 2.87Å; Q385-R388 WeakPolarHBondContact O-CB 3.28Å; Q385-R388 PolarHBondContact O-N 3.02Å
386A60.3Low61.3Low56 Ų56117.2 Ų117.246%0.46361%0.612SS.*Hα-helixtrans-59.3-40.5176.800000111.9I382 A383 R388 Q389I382-A386 WeakPolarHBondContact O-CB 3.38Å; I382-A386 PolarHBondContact O-N 2.82Å; A383-A386 PolarHBondContact O-N 2.97Å; A386-R388 PolarHBondContact O-N 3.04Å; A386-R388 VanDerWaalsContact O-N 3.1Å; A386-Q389 PolarHBondContact O-N 3.36Å
387S52.8Low59.9Low89 Ų89117.6 Ų117.662%0.62262%0.617SS**THydrogen-bonded Turntrans-66.4-9.5176.4710000114.5A383 E384 Q385A383-S387 PolarHBondContact O-N 2.82Å; A383-S387 PolarHBondContact O-OG 3.38Å; E384-S387 PolarHBondContact O-OG 3.02Å; Q385-S387 VanDerWaalsContact C-N 3.3Å; Q385-S387 PolarHBondContact O-N 2.87Å
388R54.4Low58.4Low208 Ų208120 Ų12079%0.78563%0.626SS**THydrogen-bonded Turntrans-98-2.2178.1-66.8174.9-176-162.7-1.3113.9E384 Q385 A386E384-R388 WeakPolarHBondContact O-CD 3.3Å; E384-R388 WeakPolarHBondContact O-CG 3.28Å; E384-R388 PolarHBondContact O-NE 3.15Å; Q385-R388 WeakPolarHBondContact O-CB 3.28Å; Q385-R388 PolarHBondContact O-N 3.02Å; A386-R388 PolarHBondContact O-N 3.04Å; A386-R388 VanDerWaalsContact O-N 3.1Å
389Q50Low57.2Low175 Ų175120.2 Ų120.282%0.81863%0.628SS**SBendtrans-108.9-2.1-179.7-74.1-169.7-28.300114.6A386 G391A386-Q389 PolarHBondContact O-N 3.36Å; Q389-G391 PolarHBondContact O-N 2.88Å
390V52Low56.1Low138 Ų138118.5 Ų118.584%0.83663%0.629SS**  trans-95.291.4178-173.70000110
391G44.3Very low54.5Low69 Ų69118.6 Ų118.671%0.71163%0.631SS**  trans-147.1121.9174.400000111.8Q389Q389-G391 PolarHBondContact O-N 2.88Å
392S40.6Very low53.4Low104 Ų104116.3 Ų116.373%0.72763%0.631SS**SBendtrans54.8107.6-178.6-88.40000119.5
393D47.6Very low52.3Low143 Ų143117 Ų11777%0.76563%0.631SS**  60.383.8120.2-45.5-39.7000119.4
394R39.8Very low51.2Low205 Ų205118.9 Ų118.977%0.77464%0.636SS**  trans-155.861.3134.3-118.4177.3-175.3-169.81.5113
395A47.9Very low50.3Low66 Ų66121.6 Ų121.655%0.54565%0.649SS.*THydrogen-bonded Turntrans-66.9153149.900000108.5
396D51.6Low49.8Very low125 Ų125117.5 Ų117.567%0.66864%0.638SS**THydrogen-bonded Turncis-111.7-15.311.8-61.8-68.7000115R398 N399D396-R398 PolarHBondContact O-N 2.9Å; D396-R398 VanDerWaalsContact O-N 3.14Å; D396-N399 PolarHBondContact O-N 2.84Å
397I48.3Very low49.4Very low151 Ų151120.2 Ų120.277%0.77464%0.64SS**Hα-helixtrans-61.3-29.5-174.9-61.1175.6000112.1N399I397-N399 VanDerWaalsContact C-N 3.33Å; I397-N399 PolarHBondContact O-N 3.44Å
398R50.1Low49.4Very low172 Ų172119.4 Ų119.465%0.64964%0.635SS**Hα-helixtrans-68.2-25.9175.9-86.2-178168.5168.3-3.4114D396 Q401 A402D396-R398 PolarHBondContact O-N 2.9Å; D396-R398 VanDerWaalsContact O-N 3.14Å; R398-Q401 PolarHBondContact O-N 2.87Å; R398-A402 WeakPolarHBondContact O-CB 3.48Å; R398-A402 PolarHBondContact O-N 3.44Å
399N49.3Very low49.5Very low83 Ų83113 Ų11344%0.44462%0.622SS.*Hα-helixtrans-68.2-45.1-169.8-68.5-11000111.6D396 I397 Q401 A402 E403D396-N399 PolarHBondContact O-N 2.84Å; I397-N399 VanDerWaalsContact C-N 3.33Å; I397-N399 PolarHBondContact O-N 3.44Å; N399-Q401 PolarHBondContact O-N 3.42Å; N399-A402 PolarHBondContact O-N 2.82Å; N399-E403 WeakPolarHBondContact O-CG 3.44Å; N399-E403 PolarHBondContact O-N 3.09Å
400V51.1Low49.9Very low99 Ų99110.5 Ų110.560%0.661%0.61SS**Hα-helixtrans-64.7-40.3177-176.40000111.7V404V400-V404 WeakPolarHBondContact O-CB 3.49Å; V400-V404 VanDerWaalsContact O-CG2 3.3Å; V400-V404 WeakPolarHBondContact O-CG2 3.45Å; V400-V404 PolarHBondContact O-N 3.34Å
401Q46.5Very low50.3Low132 Ų132110.2 Ų110.262%0.61760%0.6SS**Hα-helixtrans-67.9-35.7174-84.6-172.7-2700112.5R398 N399 Q405R398-Q401 PolarHBondContact O-N 2.87Å; N399-Q401 PolarHBondContact O-N 3.42Å; Q401-Q405 VanDerWaalsContact O-CB 3.26Å; Q401-Q405 WeakPolarHBondContact O-CB 3.44Å; Q401-Q405 VanDerWaalsContact O-CG 3.31Å; Q401-Q405 WeakPolarHBondContact O-CG 3.22Å; Q401-Q405 PolarHBondContact O-N 2.95Å
402A51.1Low51.2Low50 Ų50108.9 Ų108.941%0.41358%0.58SS.*Hα-helixtrans-72.2-35.9177.700000112.2R398 N399 A406R398-A402 WeakPolarHBondContact O-CB 3.48Å; R398-A402 PolarHBondContact O-N 3.44Å; N399-A402 PolarHBondContact O-N 2.82Å; A402-A406 WeakPolarHBondContact O-CA 3.37Å; A402-A406 WeakPolarHBondContact O-CB 3.43Å; A402-A406 PolarHBondContact O-N 2.92Å
403E51.8Low52.5Low124 Ų124111.7 Ų111.758%0.57957%0.574SS**Hα-helixtrans-67.8-45.1172.2-74.6-178.7140.900111.3N399 Q405 A406 H407N399-E403 WeakPolarHBondContact O-CG 3.44Å; N399-E403 PolarHBondContact O-N 3.09Å; E403-Q405 PolarHBondContact O-N 2.91Å; E403-A406 PolarHBondContact O-N 3.38Å; E403-H407 WeakPolarHBondContact O-CB 3.33Å; E403-H407 PolarHBondContact O-CD2 3Å; E403-H407 VanDerWaalsContact O-CD2 3.25Å; E403-H407 PolarHBondContact O-N 2.85Å
404V52.4Low53.6Low99 Ų99107.8 Ų107.860%0.656%0.562SS**Hα-helixtrans-63.2-41.7175.3171.80000111.4V400 S408V400-V404 WeakPolarHBondContact O-CB 3.49Å; V400-V404 VanDerWaalsContact O-CG2 3.3Å; V400-V404 WeakPolarHBondContact O-CG2 3.45Å; V400-V404 PolarHBondContact O-N 3.34Å; V404-S408 VanDerWaalsContact O-CB 3.22Å; V404-S408 WeakPolarHBondContact O-CB 3.39Å; V404-S408 PolarHBondContact O-N 2.92Å
405Q50.8Low55.1Low135 Ų135102.5 Ų102.563%0.63155%0.546SS*.Hα-helixtrans-69.4-35173.7-76.6-175.8-21.700112.8Q401 E403 S409Q401-Q405 VanDerWaalsContact O-CB 3.26Å; Q401-Q405 WeakPolarHBondContact O-CB 3.44Å; Q401-Q405 VanDerWaalsContact O-CG 3.31Å; Q401-Q405 WeakPolarHBondContact O-CG 3.22Å; Q401-Q405 PolarHBondContact O-N 2.95Å; E403-Q405 PolarHBondContact O-N 2.91Å; Q405-S409 WeakPolarHBondContact O-CB 3.4Å; Q405-S409 PolarHBondContact O-N 3.34Å; Q405-S409 PolarHBondContact O-OG 3.35Å
406A53.7Low56.2Low45 Ų45100.2 Ų100.237%0.37253%0.525SS..Hα-helixtrans-69.5-43.9176.900000111.4A402 E403 S409 Q410A402-A406 WeakPolarHBondContact O-CA 3.37Å; A402-A406 WeakPolarHBondContact O-CB 3.43Å; A402-A406 PolarHBondContact O-N 2.92Å; E403-A406 PolarHBondContact O-N 3.38Å; A406-S409 PolarHBondContact O-N 3.02Å; A406-Q410 WeakPolarHBondContact O-CB 3.36Å; A406-Q410 VanDerWaalsContact O-CG 3.27Å; A406-Q410 WeakPolarHBondContact O-CG 3.47Å; A406-Q410 PolarHBondContact O-N 3.31Å
407H51.4Low57.3Low112 Ų11298.7 Ų98.752%0.51952%0.516SS..Hα-helixtrans-65.1-43.5174.1-77.4-55.3000111.9E403 S409 Q410 Q411E403-H407 WeakPolarHBondContact O-CB 3.33Å; E403-H407 PolarHBondContact O-CD2 3Å; E403-H407 VanDerWaalsContact O-CD2 3.25Å; E403-H407 PolarHBondContact O-N 2.85Å; H407-S409 VanDerWaalsContact C-N 3.34Å; H407-S409 PolarHBondContact O-N 3.3Å; H407-Q410 PolarHBondContact O-N 3.02Å; H407-Q411 WeakPolarHBondContact O-CG 3.43Å; H407-Q411 PolarHBondContact O-N 3.41Å
408S52.9Low58.8Low73 Ų7396 Ų9651%0.5150%0.5SS..Hα-helixtrans-60.4-42.4172.91800000112V404 Q411 S412V404-S408 VanDerWaalsContact O-CB 3.22Å; V404-S408 WeakPolarHBondContact O-CB 3.39Å; V404-S408 PolarHBondContact O-N 2.92Å; S408-Q411 PolarHBondContact O-N 3.14Å; S408-S412 VanDerWaalsContact O-CB 3.32Å; S408-S412 WeakPolarHBondContact O-CB 3.29Å; S408-S412 PolarHBondContact O-N 3.25Å
409S56.3Low60.2Low74 Ų7487.8 Ų87.852%0.51747%0.47SS..Hα-helixtrans-66.2-36.4175.1-61.20000112.5Q405 A406 H407 R413Q405-S409 WeakPolarHBondContact O-CB 3.4Å; Q405-S409 PolarHBondContact O-N 3.34Å; Q405-S409 PolarHBondContact O-OG 3.35Å; A406-S409 PolarHBondContact O-N 3.02Å; H407-S409 VanDerWaalsContact C-N 3.34Å; H407-S409 PolarHBondContact O-N 3.3Å; S409-R413 WeakPolarHBondContact O-CB 3.46Å; S409-R413 PolarHBondContact O-N 2.83Å
410Q59.4Low61.5Low121 Ų12188.3 Ų88.357%0.56547%0.465SS*.Hα-helixtrans-71.5-42.1176.8-79.3175.4-17.300111.9A406 H407 R413 A414A406-Q410 WeakPolarHBondContact O-CB 3.36Å; A406-Q410 VanDerWaalsContact O-CG 3.27Å; A406-Q410 WeakPolarHBondContact O-CG 3.47Å; A406-Q410 PolarHBondContact O-N 3.31Å; H407-Q410 PolarHBondContact O-N 3.02Å; Q410-R413 PolarHBondContact O-N 3.18Å; Q410-A414 WeakPolarHBondContact O-CB 3.33Å; Q410-A414 PolarHBondContact O-N 2.88Å
411Q59.2Low62.9Low132 Ų13289.8 Ų89.862%0.61747%0.465SS*.Hα-helixtrans-62.7-50174.1-74.8179.8-54.400111H407 S408 R413 A414 E415H407-Q411 WeakPolarHBondContact O-CG 3.43Å; H407-Q411 PolarHBondContact O-N 3.41Å; S408-Q411 PolarHBondContact O-N 3.14Å; Q411-R413 VanDerWaalsContact C-N 3.26Å; Q411-R413 PolarHBondContact O-N 3.47Å; Q411-A414 PolarHBondContact O-N 3.11Å; Q411-A414 VanDerWaalsContact O-N 3.12Å; Q411-E415 PolarHBondContact O-N 3.4Å
412S63Low64.6Low41 Ų4186.1 Ų86.129%0.28745%0.448SS..Hα-helixtrans-56.9-40175.1179.10000111.9S408 M416S408-S412 VanDerWaalsContact O-CB 3.32Å; S408-S412 WeakPolarHBondContact O-CB 3.29Å; S408-S412 PolarHBondContact O-N 3.25Å; S412-M416 WeakPolarHBondContact O-CB 3.47Å; S412-M416 WeakPolarHBondContact O-CG 3.44Å; S412-M416 PolarHBondContact O-N 2.95Å
413R67.9Low66Low163 Ų16383.8 Ų83.862%0.61543%0.429SS*.Hα-helixtrans-70.3-36177-164.5177.1-150152.611.1113.4S409 Q410 Q411 M416 D417S409-R413 WeakPolarHBondContact O-CB 3.46Å; S409-R413 PolarHBondContact O-N 2.83Å; Q410-R413 PolarHBondContact O-N 3.18Å; Q411-R413 VanDerWaalsContact C-N 3.26Å; Q411-R413 PolarHBondContact O-N 3.47Å; R413-M416 WeakPolarHBondContact O-CB 3.32Å; R413-M416 PolarHBondContact O-N 2.9Å; R413-D417 PolarHBondContact O-N 3.37Å
414A71.4Confident67.2Low61 Ų6180.3 Ų80.350%0.50441%0.414SS..Hα-helixtrans-68-46.4176.100000111.5Q410 Q411 M416 D417 E418Q410-A414 WeakPolarHBondContact O-CB 3.33Å; Q410-A414 PolarHBondContact O-N 2.88Å; Q411-A414 PolarHBondContact O-N 3.11Å; Q411-A414 VanDerWaalsContact O-N 3.12Å; A414-M416 PolarHBondContact O-N 2.91Å; A414-D417 PolarHBondContact O-N 2.98Å; A414-E418 WeakPolarHBondContact O-CB 3.47Å; A414-E418 PolarHBondContact O-N 2.95Å
415E71Confident68.7Low95 Ų9578.1 Ų78.144%0.44440%0.399SS..Hα-helixtrans-59.3-33.3172.7-75.5-170.3-125.200112.6Q411 L419 R550Q411-E415 PolarHBondContact O-N 3.4Å; E415-L419 VanDerWaalsContact O-CB 3.29Å; E415-L419 WeakPolarHBondContact O-CB 3.44Å; E415-L419 PolarHBondContact O-N 3.15Å; E415-R550 IonicContact OE2-CZ 3.4Å; E415-R550 IonicContact OE2-NE 3.52Å; E415-R550 PolarHBondContact OE2-NE 3.35Å; E415-R550 IonicContact OE2-NH2 2.75Å; E415-R550 PolarHBondContact OE2-NH2 3.16Å
416M70.8Confident70.3Confident18 Ų1871.7 Ų71.79%0.08937%0.369CS..Hα-helixtrans-71.1-46176.6-81.5-67.2-6500113.3S412 R413 A414 E418 L419 R420 V551 Q556 L560S412-M416 WeakPolarHBondContact O-CB 3.47Å; S412-M416 WeakPolarHBondContact O-CG 3.44Å; S412-M416 PolarHBondContact O-N 2.95Å; R413-M416 WeakPolarHBondContact O-CB 3.32Å; R413-M416 PolarHBondContact O-N 2.9Å; A414-M416 PolarHBondContact O-N 2.91Å; M416-E418 VanDerWaalsContact C-N 3.31Å; M416-L419 PolarHBondContact O-N 3.25Å; M416-R420 VanDerWaalsContact O-CB 3.27Å; M416-R420 WeakPolarHBondContact O-CB 3.24Å; M416-R420 PolarHBondContact O-N 2.95Å; M416-V551 HydrophobicContact CE-CB 4.31Å; M416-V551 HydrophobicContact CE-CG1 3.58Å; M416-V551 HydrophobicContact CE-CG2 3.81Å; M416-V551 HydrophobicContact SD-CB 3.93Å; M416-V551 HydrophobicContact SD-CG1 3.72Å; M416-V551 HydrophobicContact SD-CG2 3.35Å; M416-V551 WeakPolarHBondContact SD-CG2 3.46Å; M416-Q556 HydrophobicContact CE-CB 3.86Å; M416-L560 HydrophobicContact CE-CD1 3.59Å; M416-L560 HydrophobicContact SD-CD1 4.46Å
417D74.8Confident71.7Confident93 Ų9370.4 Ų70.450%0.49736%0.355SS..Hα-helixtrans-68.3-32.9175.7-78.6-37.9000110.8R413 A414 E421R413-D417 PolarHBondContact O-N 3.37Å; A414-D417 PolarHBondContact O-N 2.98Å; D417-E421 WeakPolarHBondContact O-CB 3.45Å; D417-E421 PolarHBondContact O-N 3.48Å
418E80.6Confident73.1Confident94 Ų9472.5 Ų72.544%0.43936%0.358SS..Hα-helixtrans-63.1-52.1170.7-168.1-153.3170.100111.9A414 M416 R420 E421 Q422A414-E418 WeakPolarHBondContact O-CB 3.47Å; A414-E418 PolarHBondContact O-N 2.95Å; M416-E418 VanDerWaalsContact C-N 3.31Å; E418-R420 VanDerWaalsContact C-N 3.26Å; E418-R420 PolarHBondContact O-N 3.32Å; E418-E421 PolarHBondContact O-N 2.92Å; E418-Q422 WeakPolarHBondContact O-CG 3.4Å; E418-Q422 PolarHBondContact O-N 2.85Å; E418-Q422 PolarHBondContact OE1-NE2 2.79Å
419L78.1Confident74.6Confident0 Ų071.9 Ų71.90%035%0.347CS..Hα-helixtrans-60.9-37.2178.9-178.458.8000111.7E415 M416 Q422 L423 L543 L547 R550E415-L419 VanDerWaalsContact O-CB 3.29Å; E415-L419 WeakPolarHBondContact O-CB 3.44Å; E415-L419 PolarHBondContact O-N 3.15Å; M416-L419 PolarHBondContact O-N 3.25Å; L419-Q422 PolarHBondContact O-N 3.32Å; L419-L423 WeakPolarHBondContact O-CG 3.41Å; L419-L423 PolarHBondContact O-N 3.24Å; L419-L543 HydrophobicContact CD1-CD2 3.88Å; L419-L547 HydrophobicContact CD2-CD2 3.83Å; L419-L547 HydrophobicContact CG-CD2 4.39Å; L419-R550 HydrophobicContact CD2-CB 4.22Å
420R76.7Confident75.9Confident94 Ų9468.6 Ų68.636%0.35532%0.324SS..Hα-helixtrans-63.3-42.2172.4-179.1-177.2-172.3143.212112.2M416 E418 L424 L560M416-R420 VanDerWaalsContact O-CB 3.27Å; M416-R420 WeakPolarHBondContact O-CB 3.24Å; M416-R420 PolarHBondContact O-N 2.95Å; E418-R420 VanDerWaalsContact C-N 3.26Å; E418-R420 PolarHBondContact O-N 3.32Å; R420-L424 HydrophobicContact CG-CD1 4.12Å; R420-L424 WeakPolarHBondContact O-CB 3.39Å; R420-L424 VanDerWaalsContact O-CG 3.31Å; R420-L424 WeakPolarHBondContact O-CG 3.26Å; R420-L424 PolarHBondContact O-N 2.97Å; R420-L560 HydrophobicContact CB-CD2 4.15Å; R420-L560 HydrophobicContact CG-CD2 4.03Å
421E81.9Confident76.8Confident129 Ų12965.5 Ų65.560%0.60331%0.31SS*.Hα-helixtrans-68.2-40.2176.9-177.2152-134.700111.8D417 E418 L423 L424 D425D417-E421 WeakPolarHBondContact O-CB 3.45Å; D417-E421 PolarHBondContact O-N 3.48Å; E418-E421 PolarHBondContact O-N 2.92Å; E421-L423 PolarHBondContact O-N 3.33Å; E421-L424 PolarHBondContact O-N 2.9Å; E421-D425 WeakPolarHBondContact O-CB 3.29Å; E421-D425 PolarHBondContact O-N 3.14Å
422Q82.1Confident78.1Confident56 Ų5666.6 Ų66.626%0.26231%0.313SS..Hα-helixtrans-61.3-40.7174.4-67.7-176.922.800112.6E418 L419 A426 L543E418-Q422 WeakPolarHBondContact O-CG 3.4Å; E418-Q422 PolarHBondContact O-N 2.85Å; E418-Q422 PolarHBondContact OE1-NE2 2.79Å; L419-Q422 PolarHBondContact O-N 3.32Å; Q422-A426 WeakPolarHBondContact O-CB 3.47Å; Q422-A426 PolarHBondContact O-N 3.48Å; Q422-L543 HydrophobicContact CB-CD1 4.2Å; Q422-L543 HydrophobicContact CB-CD2 4.42Å
423L79Confident79.2Confident0 Ų065.3 Ų65.30%030%0.303CS..Hα-helixtrans-63.3-49.2172.5-79.9165.4000111.4L419 E421 D425 A426 F427 L543 L547L419-L423 WeakPolarHBondContact O-CG 3.41Å; L419-L423 PolarHBondContact O-N 3.24Å; E421-L423 PolarHBondContact O-N 3.33Å; L423-D425 VanDerWaalsContact C-N 3.32Å; L423-D425 PolarHBondContact O-N 3.33Å; L423-A426 PolarHBondContact O-N 3.43Å; L423-F427 HydrophobicContact CB-CE2 4.36Å; L423-F427 HydrophobicContact CB-CZ 4.43Å; L423-F427 HydrophobicContact CD2-CE1 4.17Å; L423-F427 HydrophobicContact CD2-CZ 3.86Å; L423-F427 WeakPolarHBondContact O-CB 3.26Å; L423-F427 WeakPolarHBondContact O-CD1 3.44Å; L423-F427 WeakPolarHBondContact O-CG 3.46Å; L423-F427 PolarHBondContact O-N 2.17Å; L423-L543 HydrophobicContact CD2-CB 3.54Å; L423-L543 HydrophobicContact CD2-CD1 4.25Å; L423-L543 HydrophobicContact CG-CB 4.04Å; L423-L543 HydrophobicContact CG-CD1 4.43Å; L423-L547 HydrophobicContact CD1-CD2 4.22Å
424L78.9Confident79.9Confident52 Ų5259 Ų5927%0.27228%0.279SS..Hα-helixtrans-64.1-33.1179.3-72.7171.1000113.1R420 E421 R428 L563R420-L424 HydrophobicContact CG-CD1 4.12Å; R420-L424 WeakPolarHBondContact O-CB 3.39Å; R420-L424 VanDerWaalsContact O-CG 3.31Å; R420-L424 WeakPolarHBondContact O-CG 3.26Å; R420-L424 PolarHBondContact O-N 2.97Å; E421-L424 PolarHBondContact O-N 2.9Å; L424-R428 WeakPolarHBondContact O-CB 3.22Å; L424-R428 WeakPolarHBondContact O-CD 3.42Å; L424-R428 WeakPolarHBondContact O-CG 3.49Å; L424-R428 PolarHBondContact O-N 3.01Å; L424-L563 HydrophobicContact CD2-CD1 4.43Å; L424-L563 HydrophobicContact CD2-CD2 4.09Å; L424-L563 HydrophobicContact CG-CD2 4.39Å
425D83.9Confident80.3Confident52 Ų5262.2 Ų62.228%0.27828%0.281SS..Hα-helixtrans-64.6-52.6170.3173.355.4000111.4E421 L423 F427 R428 Q429 R539E421-D425 WeakPolarHBondContact O-CB 3.29Å; E421-D425 PolarHBondContact O-N 3.14Å; L423-D425 VanDerWaalsContact C-N 3.32Å; L423-D425 PolarHBondContact O-N 3.33Å; D425-F427 VanDerWaalsContact C-N 3.27Å; D425-F427 PolarHBondContact O-N 3.45Å; D425-R428 PolarHBondContact O-N 2.94Å; D425-Q429 WeakPolarHBondContact O-CG 3.42Å; D425-Q429 PolarHBondContact O-N 2.93Å; D425-Q429 PolarHBondContact OD1-NE2 3.38Å; D425-Q429 PolarHBondContact OD2-NE2 3.04Å; D425-R539 IonicContact OD2-NH1 2.71Å; D425-R539 PolarHBondContact OD2-NH1 3.3Å; D425-R539 IonicContact OD2-NH2 2.64Å
426A83Confident81Confident0 Ų059.5 Ų59.50%027%0.273CS..Hα-helixtrans-55.4-44177.700000111.7Q422 L423 Q429 Q430 L543Q422-A426 WeakPolarHBondContact O-CB 3.47Å; Q422-A426 PolarHBondContact O-N 3.48Å; L423-A426 PolarHBondContact O-N 3.43Å; A426-Q429 PolarHBondContact O-N 3.26Å; A426-Q430 VanDerWaalsContact O-CG 3.28Å; A426-Q430 WeakPolarHBondContact O-CG 3.47Å; A426-Q430 PolarHBondContact O-N 3.22Å; A426-L543 HydrophobicContact CB-CD1 4.42Å
427F83Confident81.6Confident18 Ų1858.9 Ų58.98%0.07927%0.27CS..Hα-helixtrans-64.5-43.7178-66.3-7.4000112.8L423 D425 Q429 Q430 M431 L563 C564 H567L423-F427 HydrophobicContact CB-CE2 4.36Å; L423-F427 HydrophobicContact CB-CZ 4.43Å; L423-F427 HydrophobicContact CD2-CE1 4.17Å; L423-F427 HydrophobicContact CD2-CZ 3.86Å; L423-F427 WeakPolarHBondContact O-CB 3.26Å; L423-F427 WeakPolarHBondContact O-CD1 3.44Å; L423-F427 WeakPolarHBondContact O-CG 3.46Å; L423-F427 PolarHBondContact O-N 2.17Å; D425-F427 VanDerWaalsContact C-N 3.27Å; D425-F427 PolarHBondContact O-N 3.45Å; F427-Q429 VanDerWaalsContact C-N 3.34Å; F427-Q429 PolarHBondContact O-N 3.49Å; F427-Q430 PolarHBondContact O-N 2.84Å; F427-M431 PolarHBondContact O-N 3.12Å; F427-L563 HydrophobicContact CE2-CG 4.25Å; F427-C564 HydrophobicContact CZ-CB 4.28Å; F427-H567 VanDerWaalsContact CB-CE1 3.4Å; F427-H567 WeakPolarHBondContact CB-CE1 3.41Å; F427-H567 AromaticContact CD1-CD2 3.28Å; F427-H567 WeakPolarHBondContact CD1-CD2 3.17Å; F427-H567 AromaticContact CD1-CE1 3.96Å; F427-H567 AromaticContact CD1-CG 3.79Å; F427-H567 AromaticContact CD1-NE2 3.4Å; F427-H567 WeakPolarHBondContact CD1-NE2 3.31Å; F427-H567 HydrophobicContact CD2-CB 3.85Å; F427-H567 AromaticContact CD2-CG 3.67Å; F427-H567 AromaticContact CE1-CD2 3.6Å; F427-H567 HydrophobicContact CE2-CB 3.91Å; F427-H567 HydrophobicContact CG-CB 4.22Å; F427-H567 AromaticContact CG-CD2 3.53Å; F427-H567 AromaticContact CG-CE1 3.72Å; F427-H567 AromaticContact CG-CG 3.52Å; F427-H567 AromaticContact CG-ND1 3.65Å; F427-H567 AromaticContact CG-NE2 3.64Å; F427-H567 HydrophobicContact CZ-CB 4.33Å; F427-H567 PolarHBondContact O-CE1 3.44Å
428R80.8Confident81.8Confident157 Ų15756.6 Ų56.659%0.59226%0.257SS*.Hα-helixtrans-60.5-41.6172.5-73.5164.5-171.9163.75.1112L424 D425 K432L424-R428 WeakPolarHBondContact O-CB 3.22Å; L424-R428 WeakPolarHBondContact O-CD 3.42Å; L424-R428 WeakPolarHBondContact O-CG 3.49Å; L424-R428 PolarHBondContact O-N 3.01Å; D425-R428 PolarHBondContact O-N 2.94Å; R428-K432 WeakPolarHBondContact O-CB 3.47Å; R428-K432 PolarHBondContact O-N 3.32Å
429Q85.3Confident81.8Confident59 Ų5956.2 Ų56.228%0.27626%0.255SS..Hα-helixtrans-69.3-42-179.7-67.5-175.826.800111.8D425 A426 F427 K432 I433 L536D425-Q429 WeakPolarHBondContact O-CG 3.42Å; D425-Q429 PolarHBondContact O-N 2.93Å; D425-Q429 PolarHBondContact OD1-NE2 3.38Å; D425-Q429 PolarHBondContact OD2-NE2 3.04Å; A426-Q429 PolarHBondContact O-N 3.26Å; F427-Q429 VanDerWaalsContact C-N 3.34Å; F427-Q429 PolarHBondContact O-N 3.49Å; Q429-K432 PolarHBondContact O-N 2.92Å; Q429-I433 PolarHBondContact O-N 2.88Å; Q429-L536 HydrophobicContact CB-CD1 3.69Å; Q429-L536 HydrophobicContact CB-CD2 4.42Å
430Q82.7Confident82.1Confident6 Ų657.5 Ų57.53%0.02826%0.262CS..Hα-helixtrans-57.5-51172.2-71.9169.714.900111.2A426 F427 K432 I433 R434 F533 L536 H567A426-Q430 VanDerWaalsContact O-CG 3.28Å; A426-Q430 WeakPolarHBondContact O-CG 3.47Å; A426-Q430 PolarHBondContact O-N 3.22Å; F427-Q430 PolarHBondContact O-N 2.84Å; Q430-K432 VanDerWaalsContact C-N 3.33Å; Q430-K432 PolarHBondContact O-N 3.17Å; Q430-I433 PolarHBondContact O-N 3.25Å; Q430-R434 WeakPolarHBondContact O-CB 3.43Å; Q430-R434 PolarHBondContact O-N 3.12Å; Q430-F533 HydrophobicContact CB-CD2 4.42Å; Q430-F533 HydrophobicContact CB-CE2 4.01Å; Q430-L536 HydrophobicContact CG-CB 3.79Å; Q430-L536 PolarHBondContact NE2-O 3.33Å; Q430-H567 PolarHBondContact OE1-NE2 2.87Å
431M78.9Confident82.2Confident55 Ų5554.5 Ų54.527%0.27125%0.252SS..Hα-helixtrans-63.3-36178.2-74.6-64-178.100113F427 R434 K435 E570 I571F427-M431 PolarHBondContact O-N 3.12Å; M431-R434 PolarHBondContact O-N 3.48Å; M431-K435 WeakPolarHBondContact O-CB 3.16Å; M431-K435 PolarHBondContact O-N 2.7Å; M431-E570 HydrophobicContact CE-CB 3.57Å; M431-I571 HydrophobicContact CE-CG1 3.77Å
432K86Confident82Confident155 Ų15552.1 Ų52.167%0.67424%0.244SC*.Hα-helixtrans-62.5-44.2174.4-175.1176.1179.9178.50111.6R428 Q429 Q430 S436R428-K432 WeakPolarHBondContact O-CB 3.47Å; R428-K432 PolarHBondContact O-N 3.32Å; Q429-K432 PolarHBondContact O-N 2.92Å; Q430-K432 VanDerWaalsContact C-N 3.33Å; Q430-K432 PolarHBondContact O-N 3.17Å; K432-S436 PolarHBondContact O-N 2.81Å
433I87.1Confident82Confident15 Ų1551.8 Ų51.88%0.07725%0.248CC..Hα-helixtrans-68-43.2175.6-65.1-173.9000111Q429 Q430 K435 S436 L437 L529 R532 F533 L536Q429-I433 PolarHBondContact O-N 2.88Å; Q430-I433 PolarHBondContact O-N 3.25Å; I433-K435 VanDerWaalsContact C-N 3.28Å; I433-K435 PolarHBondContact O-N 2.77Å; I433-S436 CarbonylContact O-C 3.21Å; I433-S436 PolarHBondContact O-N 3.05Å; I433-S436 VanDerWaalsContact O-N 3.09Å; I433-L437 HydrophobicContact CG2-CD1 4.03Å; I433-L437 HydrophobicContact CG2-CG 4.23Å; I433-L437 WeakPolarHBondContact O-CG 3.42Å; I433-L437 PolarHBondContact O-N 2.91Å; I433-L529 HydrophobicContact CG2-CB 4Å; I433-L529 HydrophobicContact CG2-CD2 4.24Å; I433-L529 WeakPolarHBondContact CG2-O 3.45Å; I433-R532 HydrophobicContact CD1-CB 3.98Å; I433-R532 HydrophobicContact CD1-CG 3.63Å; I433-F533 HydrophobicContact CB-CD2 4.38Å; I433-F533 HydrophobicContact CG2-CB 3.91Å; I433-F533 HydrophobicContact CG2-CD2 4.29Å; I433-L536 HydrophobicContact CD1-CD1 3.72Å
434R80.9Confident82.1Confident29 Ų2953.8 Ų53.811%0.10926%0.258CS..Hα-helixtrans-57-40.8176.6-167.475.3-142.3171.514.8111.7Q430 M431 L437 I438 F533 E575Q430-R434 WeakPolarHBondContact O-CB 3.43Å; Q430-R434 PolarHBondContact O-N 3.12Å; M431-R434 PolarHBondContact O-N 3.48Å; R434-L437 PolarHBondContact O-N 3.26Å; R434-I438 HydrophobicContact CG-CD1 4.46Å; R434-I438 WeakPolarHBondContact O-CG1 3.44Å; R434-I438 PolarHBondContact O-N 2.69Å; R434-I438 VanDerWaalsContact O-N 3.11Å; R434-F533 HydrophobicContact CB-CE2 4.09Å; R434-E575 IonicContact CZ-OE1 3.92Å; R434-E575 IonicContact NE-OE1 2.69Å; R434-E575 IonicContact NH1-OE1 3.43Å; R434-E575 PolarHBondContact NH1-OE1 3.09Å
435K80.8Confident82.1Confident129 Ų12952.9 Ų52.956%0.56125%0.253SS*.Hα-helixtrans-61.6-47.6173.2-173.2174.3-174.3-75.20111.9M431 I433 L437 I438 E439M431-K435 WeakPolarHBondContact O-CB 3.16Å; M431-K435 PolarHBondContact O-N 2.7Å; I433-K435 VanDerWaalsContact C-N 3.28Å; I433-K435 PolarHBondContact O-N 2.77Å; K435-L437 VanDerWaalsContact C-N 3.33Å; K435-L437 PolarHBondContact O-N 3.46Å; K435-I438 PolarHBondContact O-N 3.37Å; K435-E439 IonicContact NZ-OE1 2.67Å; K435-E439 PolarHBondContact NZ-OE1 3.24Å; K435-E439 WeakPolarHBondContact O-CG 3.36Å; K435-E439 PolarHBondContact O-N 2.9Å
436S85.6Confident81.7Confident39 Ų3956.4 Ų56.427%0.27327%0.268SS..Hα-helixtrans-70.2-26.3178.7-65.80000114.2K432 I433 E439 L440K432-S436 PolarHBondContact O-N 2.81Å; I433-S436 CarbonylContact O-C 3.21Å; I433-S436 PolarHBondContact O-N 3.05Å; I433-S436 VanDerWaalsContact O-N 3.09Å; S436-E439 WeakPolarHBondContact CA-OE2 3.31Å; S436-E439 PolarHBondContact O-N 3.41Å; S436-E439 PolarHBondContact OG-OE2 2.82Å; S436-L440 WeakPolarHBondContact O-CG 3.25Å; S436-L440 PolarHBondContact O-N 2.9Å
437L83Confident81.7Confident4 Ų457 Ų572%0.02127%0.271CS..Hα-helixtrans-64.4-46.7167.8-74.4170.5000111.1I433 R434 K435 E439 L440 E441 K526 L529 E530 F533I433-L437 HydrophobicContact CG2-CD1 4.03Å; I433-L437 HydrophobicContact CG2-CG 4.23Å; I433-L437 WeakPolarHBondContact O-CG 3.42Å; I433-L437 PolarHBondContact O-N 2.91Å; R434-L437 PolarHBondContact O-N 3.26Å; K435-L437 VanDerWaalsContact C-N 3.33Å; K435-L437 PolarHBondContact O-N 3.46Å; L437-E439 VanDerWaalsContact C-N 3.31Å; L437-E439 PolarHBondContact O-N 3.36Å; L437-L440 PolarHBondContact O-N 2.92Å; L437-E441 WeakPolarHBondContact O-CG 3.48Å; L437-E441 PolarHBondContact O-N 3.01Å; L437-K526 HydrophobicContact CD2-CG 4Å; L437-L529 HydrophobicContact CD2-CB 3.56Å; L437-L529 HydrophobicContact CD2-CD1 4.43Å; L437-L529 HydrophobicContact CG-CB 4.03Å; L437-E530 HydrophobicContact CD1-CG 4.2Å; L437-E530 HydrophobicContact CD2-CG 3.74Å; L437-F533 HydrophobicContact CD1-CB 4.47Å
438I79.2Confident81.3Confident46 Ų4660.3 Ų60.324%0.23629%0.287CS..Hα-helixtrans-62.9-37.5175.9-66.3163.8000111.1R434 K435 E441 N442R434-I438 HydrophobicContact CG-CD1 4.46Å; R434-I438 WeakPolarHBondContact O-CG1 3.44Å; R434-I438 PolarHBondContact O-N 2.69Å; R434-I438 VanDerWaalsContact O-N 3.11Å; K435-I438 PolarHBondContact O-N 3.37Å; I438-E441 PolarHBondContact O-N 3.15Å; I438-N442 PolarHBondContact O-N 3.04Å; I438-N442 PolarHBondContact O-ND2 3.48Å
439E81.1Confident81Confident85 Ų8556.1 Ų56.140%0.39728%0.275SS..Hα-helixtrans-61.7-45.3173.8-70.6163.9165.300111.8K435 S436 L437 N442 S443K435-E439 IonicContact NZ-OE1 2.67Å; K435-E439 PolarHBondContact NZ-OE1 3.24Å; K435-E439 WeakPolarHBondContact O-CG 3.36Å; K435-E439 PolarHBondContact O-N 2.9Å; S436-E439 WeakPolarHBondContact CA-OE2 3.31Å; S436-E439 PolarHBondContact O-N 3.41Å; S436-E439 PolarHBondContact OG-OE2 2.82Å; L437-E439 VanDerWaalsContact C-N 3.31Å; L437-E439 PolarHBondContact O-N 3.36Å; E439-N442 PolarHBondContact O-N 2.96Å; E439-S443 PolarHBondContact O-N 2.64Å; E439-S443 VanDerWaalsContact O-N 3.1Å; E439-S443 PolarHBondContact O-OG 2.75Å
440L83.9Confident80.4Confident28 Ų2855.7 Ų55.715%0.14728%0.275CS..Hα-helixtrans-66.4-36.5174.8-70.6178.9000113.2S436 L437 S443 N444 I522 Q525 K526 L529S436-L440 WeakPolarHBondContact O-CG 3.25Å; S436-L440 PolarHBondContact O-N 2.9Å; L437-L440 PolarHBondContact O-N 2.92Å; L440-S443 PolarHBondContact O-N 3.12Å; L440-N444 WeakPolarHBondContact O-CB 3.38Å; L440-N444 PolarHBondContact O-N 3.11Å; L440-I522 HydrophobicContact CB-CG2 4.13Å; L440-I522 HydrophobicContact CD2-CG1 4.26Å; L440-I522 HydrophobicContact CD2-CG2 4.15Å; L440-Q525 HydrophobicContact CD1-CB 3.87Å; L440-K526 HydrophobicContact CD1-CB 4.26Å; L440-L529 HydrophobicContact CD1-CD1 3.85Å
441E78.7Confident80.2Confident30 Ų3056.4 Ų56.414%0.1428%0.28CS..Hα-helixtrans-63.4-41.1175.7-74.3-176.7148.600111.5L437 I438 N444 M445 K526 S578L437-E441 WeakPolarHBondContact O-CG 3.48Å; L437-E441 PolarHBondContact O-N 3.01Å; I438-E441 PolarHBondContact O-N 3.15Å; E441-N444 PolarHBondContact O-N 2.91Å; E441-M445 WeakPolarHBondContact O-CB 3.47Å; E441-M445 PolarHBondContact O-N 3.41Å; E441-K526 HydrophobicContact CG-CD 4.37Å; E441-K526 IonicContact OE1-NZ 3.6Å; E441-K526 PolarHBondContact OE1-NZ 3.49Å; E441-S578 PolarHBondContact OE2-OG 3.47Å
442N77.6Confident80Confident80 Ų8055.8 Ų55.843%0.42828%0.281SS..Hα-helixtrans-65.2-44.7174.9-72.1-50.7000112.2I438 E439 N444 M445 E446I438-N442 PolarHBondContact O-N 3.04Å; I438-N442 PolarHBondContact O-ND2 3.48Å; E439-N442 PolarHBondContact O-N 2.96Å; N442-N444 PolarHBondContact O-N 3.46Å; N442-M445 WeakPolarHBondContact O-CB 3.46Å; N442-M445 PolarHBondContact O-N 2.98Å; N442-M445 VanDerWaalsContact O-N 3.16Å; N442-E446 PolarHBondContact O-N 2.88Å
443S82.6Confident79.4Confident49 Ų4954.1 Ų54.134%0.34327%0.274SS..Hα-helixtrans-66.6-35.3176.7-66.20000113.1E439 L440 M445 E446 I447E439-S443 PolarHBondContact O-N 2.64Å; E439-S443 VanDerWaalsContact O-N 3.1Å; E439-S443 PolarHBondContact O-OG 2.75Å; L440-S443 PolarHBondContact O-N 3.12Å; S443-M445 VanDerWaalsContact C-N 3.32Å; S443-E446 PolarHBondContact O-N 2.95Å; S443-I447 WeakPolarHBondContact O-CG1 3.41Å; S443-I447 PolarHBondContact O-N 3.42Å
444N82.3Confident78.9Confident41 Ų4155.3 Ų55.322%0.21928%0.278CS..Hα-helixtrans-65.6-35.5171.2175.967.6000112L440 E441 N442 Q448 Q519 I522L440-N444 WeakPolarHBondContact O-CB 3.38Å; L440-N444 PolarHBondContact O-N 3.11Å; E441-N444 PolarHBondContact O-N 2.91Å; N442-N444 PolarHBondContact O-N 3.46Å; N444-Q448 PolarHBondContact ND2-NE2 2.83Å; N444-Q448 WeakPolarHBondContact O-CB 3.06Å; N444-Q448 VanDerWaalsContact O-CG 3.28Å; N444-Q448 WeakPolarHBondContact O-CG 3.48Å; N444-Q448 PolarHBondContact O-N 3.39Å; N444-Q519 PolarHBondContact OD1-NE2 2.91Å; N444-I522 HydrophobicContact CB-CG2 4Å
445M77.1Confident78.6Confident33 Ų3358 Ų5816%0.16330%0.295CS..Hα-helixtrans-66.6-41.9175.5-172.9-175.8-65.200111.9E441 N442 S443 Q448 I449 I582 N585E441-M445 WeakPolarHBondContact O-CB 3.47Å; E441-M445 PolarHBondContact O-N 3.41Å; N442-M445 WeakPolarHBondContact O-CB 3.46Å; N442-M445 PolarHBondContact O-N 2.98Å; N442-M445 VanDerWaalsContact O-N 3.16Å; S443-M445 VanDerWaalsContact C-N 3.32Å; M445-Q448 PolarHBondContact O-N 2.79Å; M445-I449 HydrophobicContact CG-CD1 4.35Å; M445-I449 WeakPolarHBondContact O-CG1 3.39Å; M445-I449 PolarHBondContact O-N 3.37Å; M445-I582 HydrophobicContact CE-CG1 4.08Å; M445-N585 HydrophobicContact CE-CB 3.98Å; M445-N585 HydrophobicContact SD-CB 3.75Å; M445-N585 PolarHBondContact SD-ND2 3.28Å
446E76.7Confident78.3Confident126 Ų12655.4 Ų55.459%0.58929%0.289SS*.Hα-helixtrans-59.9-48.4173.8-171.3165.6-143.400111.2N442 S443 Q448 I449 D450N442-E446 PolarHBondContact O-N 2.88Å; S443-E446 PolarHBondContact O-N 2.95Å; E446-Q448 VanDerWaalsContact C-N 3.34Å; E446-Q448 PolarHBondContact O-N 2.85Å; E446-I449 WeakPolarHBondContact O-CB 3.47Å; E446-I449 PolarHBondContact O-N 3.49Å; E446-I449 VanDerWaalsContact O-N 3.14Å; E446-D450 PolarHBondContact O-N 3.06Å
447I81.8Confident77.6Confident13 Ų1356.2 Ų56.27%0.06729%0.293CS..Hα-helixtrans-60.8-38.8174.9-71.7165.5000112.2S443 D450 T451 L515 E518 Q519 I522S443-I447 WeakPolarHBondContact O-CG1 3.41Å; S443-I447 PolarHBondContact O-N 3.42Å; I447-D450 PolarHBondContact O-N 2.88Å; I447-T451 WeakPolarHBondContact O-CB 3.46Å; I447-T451 PolarHBondContact O-N 3.49Å; I447-T451 PolarHBondContact O-OG1 3.06Å; I447-L515 HydrophobicContact CB-CD2 4.32Å; I447-L515 HydrophobicContact CG1-CD2 3.97Å; I447-L515 HydrophobicContact CG2-CB 4.14Å; I447-L515 HydrophobicContact CG2-CD2 4.08Å; I447-E518 HydrophobicContact CD1-CB 3.88Å; I447-Q519 HydrophobicContact CG2-CB 4.07Å; I447-I522 HydrophobicContact CD1-CD1 3.4Å
448Q75.8Confident77.2Confident88 Ų8856.5 Ų56.541%0.41129%0.294SS..Hα-helixtrans-67-34.9176-78.3178.4-4.400112.6N444 M445 E446 S452N444-Q448 PolarHBondContact ND2-NE2 2.83Å; N444-Q448 WeakPolarHBondContact O-CB 3.06Å; N444-Q448 VanDerWaalsContact O-CG 3.28Å; N444-Q448 WeakPolarHBondContact O-CG 3.48Å; N444-Q448 PolarHBondContact O-N 3.39Å; M445-Q448 PolarHBondContact O-N 2.79Å; E446-Q448 VanDerWaalsContact C-N 3.34Å; E446-Q448 PolarHBondContact O-N 2.85Å; Q448-S452 WeakPolarHBondContact O-CB 3.37Å; Q448-S452 PolarHBondContact O-N 3.43Å; Q448-S452 PolarHBondContact O-OG 3.47Å
449I73.3Confident76.9Confident68 Ų6856.8 Ų56.835%0.34930%0.304SS..Hα-helixtrans-66-47.9174.5-72.4163.9000110.3M445 E446 S452 K453M445-I449 HydrophobicContact CG-CD1 4.35Å; M445-I449 WeakPolarHBondContact O-CG1 3.39Å; M445-I449 PolarHBondContact O-N 3.37Å; E446-I449 WeakPolarHBondContact O-CB 3.47Å; E446-I449 PolarHBondContact O-N 3.49Å; E446-I449 VanDerWaalsContact O-N 3.14Å; I449-S452 WeakPolarHBondContact O-CB 3.47Å; I449-S452 PolarHBondContact O-N 3.35Å; I449-S452 VanDerWaalsContact O-N 3.14Å; I449-K453 WeakPolarHBondContact O-CG 3.35Å; I449-K453 PolarHBondContact O-N 3.3Å
450D73.6Confident76.4Confident50 Ų5056 Ų5627%0.26730%0.302SS..Hα-helixtrans-72.7-34.7-178.4-72.3-11.2000112.9E446 I447 S452 K453 H454 L515E446-D450 PolarHBondContact O-N 3.06Å; I447-D450 PolarHBondContact O-N 2.88Å; D450-S452 VanDerWaalsContact C-N 3.27Å; D450-S452 PolarHBondContact O-N 3.37Å; D450-K453 PolarHBondContact O-N 3.24Å; D450-K453 WeakPolarHBondContact OD1-CD 3.49Å; D450-K453 VanDerWaalsContact OD1-CE 3.29Å; D450-K453 WeakPolarHBondContact OD1-CE 3.41Å; D450-K453 IonicContact OD1-NZ 3.6Å; D450-K453 PolarHBondContact OD1-NZ 3.48Å; D450-H454 PolarHBondContact O-CD2 3.02Å; D450-H454 VanDerWaalsContact O-CD2 3.28Å; D450-H454 PolarHBondContact O-N 3.06Å; D450-L515 HydrophobicContact CB-CD1 3.93Å; D450-L515 HydrophobicContact CB-CD2 4.48Å
451T78.5Confident76.2Confident21 Ų2156.7 Ų56.713%0.12930%0.303CS..Hα-helixtrans-54.2-45.9165.6-660000110.8I447 H454 L455 L512I447-T451 WeakPolarHBondContact O-CB 3.46Å; I447-T451 PolarHBondContact O-N 3.49Å; I447-T451 PolarHBondContact O-OG1 3.06Å; T451-H454 PolarHBondContact O-N 3.48Å; T451-L455 HydrophobicContact CG2-CD1 3.9Å; T451-L455 WeakPolarHBondContact O-CB 3.49Å; T451-L455 VanDerWaalsContact O-CG 3.27Å; T451-L455 WeakPolarHBondContact O-CG 3.46Å; T451-L455 PolarHBondContact O-N 2.94Å; T451-L512 HydrophobicContact CG2-CD1 3.76Å
452S75.3Confident76Confident42 Ų4259.5 Ų59.529%0.29432%0.316SS..Hα-helixtrans-65.2-39.9178.6-58.40000112.4Q448 I449 D450 V456Q448-S452 WeakPolarHBondContact O-CB 3.37Å; Q448-S452 PolarHBondContact O-N 3.43Å; Q448-S452 PolarHBondContact O-OG 3.47Å; I449-S452 WeakPolarHBondContact O-CB 3.47Å; I449-S452 PolarHBondContact O-N 3.35Å; I449-S452 VanDerWaalsContact O-N 3.14Å; D450-S452 VanDerWaalsContact C-N 3.27Å; D450-S452 PolarHBondContact O-N 3.37Å; S452-V456 WeakPolarHBondContact O-CG2 3.23Å; S452-V456 PolarHBondContact O-N 3.21Å; S452-V456 VanDerWaalsContact O-N 3.16Å
453K72.3Confident75.8Confident121 Ų12160.7 Ų60.753%0.52632%0.319SS..Hα-helixtrans-59.9-52.5175.4-67.4172-169.7161.80111.2I449 D450 L455 V456 T457I449-K453 WeakPolarHBondContact O-CG 3.35Å; I449-K453 PolarHBondContact O-N 3.3Å; D450-K453 PolarHBondContact O-N 3.24Å; D450-K453 WeakPolarHBondContact OD1-CD 3.49Å; D450-K453 VanDerWaalsContact OD1-CE 3.29Å; D450-K453 WeakPolarHBondContact OD1-CE 3.41Å; D450-K453 IonicContact OD1-NZ 3.6Å; D450-K453 PolarHBondContact OD1-NZ 3.48Å; K453-L455 VanDerWaalsContact C-N 3.34Å; K453-L455 PolarHBondContact O-N 3.26Å; K453-V456 PolarHBondContact O-N 3.09Å; K453-V456 VanDerWaalsContact O-N 3.12Å; K453-T457 PolarHBondContact O-N 3.05Å; K453-T457 PolarHBondContact O-OG1 3.19Å
454H77.6Confident75.4Confident39 Ų3961.3 Ų61.318%0.18132%0.317CS..Hα-helixtrans-64.3-36.9-177.9-72.5-50.6000112.8D450 T451 V456 T457 I458 A508 N511D450-H454 PolarHBondContact O-CD2 3.02Å; D450-H454 VanDerWaalsContact O-CD2 3.28Å; D450-H454 PolarHBondContact O-N 3.06Å; T451-H454 PolarHBondContact O-N 3.48Å; H454-V456 VanDerWaalsContact C-N 3.33Å; H454-V456 PolarHBondContact O-N 2.86Å; H454-T457 PolarHBondContact O-N 3.01Å; H454-I458 WeakPolarHBondContact O-CD1 3.39Å; H454-I458 VanDerWaalsContact O-CG1 3.32Å; H454-I458 WeakPolarHBondContact O-CG1 3.38Å; H454-I458 PolarHBondContact O-N 3.36Å; H454-A508 HydrophobicContact CB-CB 4.03Å; H454-A508 WeakPolarHBondContact ND1-CB 3.38Å; H454-N511 PolarHBondContact CE1-ND2 2.99Å; H454-N511 VanDerWaalsContact CE1-ND2 3.3Å; H454-N511 WeakPolarHBondContact NE2-CB 3.44Å; H454-N511 PolarHBondContact NE2-ND2 3.43Å; H454-N511 VanDerWaalsContact NE2-ND2 3.11Å
455L75Confident75.1Confident87 Ų8760.2 Ų60.246%0.45531%0.31SS..Hα-helixtrans-62.8-36.6172.9-73.2170.2000112.8T451 K453 A459 L512T451-L455 HydrophobicContact CG2-CD1 3.9Å; T451-L455 WeakPolarHBondContact O-CB 3.49Å; T451-L455 VanDerWaalsContact O-CG 3.27Å; T451-L455 WeakPolarHBondContact O-CG 3.46Å; T451-L455 PolarHBondContact O-N 2.94Å; K453-L455 VanDerWaalsContact C-N 3.34Å; K453-L455 PolarHBondContact O-N 3.26Å; L455-A459 VanDerWaalsContact O-CB 3.31Å; L455-A459 WeakPolarHBondContact O-CB 3.13Å; L455-A459 PolarHBondContact O-N 3.41Å; L455-L512 HydrophobicContact CD2-CD2 3.82Å; L455-L512 HydrophobicContact CG-CD1 4.4Å; L455-L512 HydrophobicContact CG-CD2 4.47Å
456V73Confident74.8Confident73 Ų7360.7 Ų60.744%0.44232%0.317SS..Hα-helixtrans-67.3-44.4173.9171.70000111.2S452 K453 H454 I458 A459 D460S452-V456 WeakPolarHBondContact O-CG2 3.23Å; S452-V456 PolarHBondContact O-N 3.21Å; S452-V456 VanDerWaalsContact O-N 3.16Å; K453-V456 PolarHBondContact O-N 3.09Å; K453-V456 VanDerWaalsContact O-N 3.12Å; H454-V456 VanDerWaalsContact C-N 3.33Å; H454-V456 PolarHBondContact O-N 2.86Å; V456-I458 VanDerWaalsContact C-N 3.3Å; V456-I458 PolarHBondContact O-N 2.87Å; V456-A459 PolarHBondContact O-N 2.96Å; V456-A459 VanDerWaalsContact O-N 3.16Å; V456-D460 PolarHBondContact O-N 3.43Å
457T70.8Confident74.7Confident56 Ų5659.6 Ų59.634%0.34431%0.31SS..Hα-helixtrans-57-43175.9-52.30000112.1K453 H454 W461 V505 A508K453-T457 PolarHBondContact O-N 3.05Å; K453-T457 PolarHBondContact O-OG1 3.19Å; H454-T457 PolarHBondContact O-N 3.01Å; T457-W461 PolarHBondContact O-N 3.28Å; T457-V505 HydrophobicContact CG2-CG2 4.24Å; T457-A508 HydrophobicContact CG2-CB 4.44Å
458I76.1Confident74.4Confident10 Ų1065.6 Ų65.65%0.05133%0.332CS..Hα-helixtrans-64.8-48.1175.4-67161000110.5H454 V456 D460 W461 E462 V505 A508 R509 L512H454-I458 WeakPolarHBondContact O-CD1 3.39Å; H454-I458 VanDerWaalsContact O-CG1 3.32Å; H454-I458 WeakPolarHBondContact O-CG1 3.38Å; H454-I458 PolarHBondContact O-N 3.36Å; V456-I458 VanDerWaalsContact C-N 3.3Å; V456-I458 PolarHBondContact O-N 2.87Å; I458-D460 PolarHBondContact O-N 2.91Å; I458-W461 PolarHBondContact O-N 2.79Å; I458-E462 HydrophobicContact CG2-CG 4.33Å; I458-E462 VanDerWaalsContact CG2-OE1 3.32Å; I458-E462 WeakPolarHBondContact CG2-OE1 3.25Å; I458-E462 WeakPolarHBondContact O-CG 3.26Å; I458-E462 PolarHBondContact O-N 3.02Å; I458-V505 HydrophobicContact CG1-CG1 4.03Å; I458-A508 HydrophobicContact CD1-CB 4.4Å; I458-A508 HydrophobicContact CG1-CB 4.2Å; I458-R509 HydrophobicContact CD1-CG 3.79Å; I458-R509 HydrophobicContact CG1-CG 4.2Å; I458-L512 HydrophobicContact CD1-CD2 4.24Å
459A71.3Confident74.4Confident53 Ų5366.8 Ų66.844%0.43833%0.333SS..Hα-helixtrans-64.7-39.9-177.200000113.6L455 V456 E462 Q463L455-A459 VanDerWaalsContact O-CB 3.31Å; L455-A459 WeakPolarHBondContact O-CB 3.13Å; L455-A459 PolarHBondContact O-N 3.41Å; V456-A459 PolarHBondContact O-N 2.96Å; V456-A459 VanDerWaalsContact O-N 3.16Å; A459-E462 PolarHBondContact O-N 3Å; A459-Q463 WeakPolarHBondContact O-CB 3.4Å; A459-Q463 PolarHBondContact O-N 3.15Å
460D71.3Confident74.4Confident69 Ų6971.9 Ų71.937%0.36935%0.347SS..Hα-helixtrans-67.1-38.5176.8-78.7-29.1000111.1V456 I458 Q463 E464V456-D460 PolarHBondContact O-N 3.43Å; I458-D460 PolarHBondContact O-N 2.91Å; D460-Q463 PolarHBondContact O-N 2.9Å; D460-E464 WeakPolarHBondContact O-CB 3.4Å; D460-E464 PolarHBondContact O-N 3.45Å
461W80.3Confident74.6Confident42 Ų4275.7 Ų75.716%0.15936%0.362CS..Hα-helixtrans-65.7-44.9171.717991.7000112.3T457 I458 Q463 E464 Q465 E501 V505T457-W461 PolarHBondContact O-N 3.28Å; I458-W461 PolarHBondContact O-N 2.79Å; W461-Q463 VanDerWaalsContact C-N 3.28Å; W461-Q463 PolarHBondContact O-N 3.21Å; W461-E464 PolarHBondContact O-N 2.79Å; W461-Q465 HydrophobicContact CD2-CG 3.78Å; W461-Q465 HydrophobicContact CE3-CG 4.12Å; W461-Q465 HydrophobicContact CG-CG 4.35Å; W461-Q465 HydrophobicContact CH2-CG 4.04Å; W461-Q465 HydrophobicContact CZ2-CG 3.68Å; W461-Q465 HydrophobicContact CZ3-CG 4.25Å; W461-Q465 WeakPolarHBondContact O-CB 3.47Å; W461-Q465 VanDerWaalsContact O-CG 3.3Å; W461-Q465 WeakPolarHBondContact O-CG 3.41Å; W461-Q465 PolarHBondContact O-N 3.12Å; W461-E501 HydrophobicContact CH2-CB 4.44Å; W461-E501 HydrophobicContact CH2-CG 4.38Å; W461-E501 HydrophobicContact CZ2-CB 4.19Å; W461-E501 HydrophobicContact CZ2-CG 4.24Å; W461-V505 HydrophobicContact CB-CG2 3.65Å; W461-V505 HydrophobicContact CD2-CG1 4.3Å; W461-V505 HydrophobicContact CD2-CG2 4.36Å; W461-V505 HydrophobicContact CE3-CG1 4.27Å; W461-V505 HydrophobicContact CG-CG1 4.43Å; W461-V505 HydrophobicContact CG-CG2 3.73Å
462E74.3Confident74.4Confident88 Ų8878.8 Ų78.841%0.41137%0.371SS..Hα-helixtrans-63.3-35.6177.5-71.3-178.3-172.400111.7I458 A459 S466 R509I458-E462 HydrophobicContact CG2-CG 4.33Å; I458-E462 VanDerWaalsContact CG2-OE1 3.32Å; I458-E462 WeakPolarHBondContact CG2-OE1 3.25Å; I458-E462 WeakPolarHBondContact O-CG 3.26Å; I458-E462 PolarHBondContact O-N 3.02Å; A459-E462 PolarHBondContact O-N 3Å; E462-S466 WeakPolarHBondContact O-CB 3.28Å; E462-S466 PolarHBondContact O-N 3.03Å; E462-R509 IonicContact OE1-CZ 2.76Å; E462-R509 IonicContact OE1-NH1 2.86Å; E462-R509 PolarHBondContact OE1-NH1 3.44Å; E462-R509 IonicContact OE1-NH2 3.24Å; E462-R509 PolarHBondContact OE1-NH2 2.83Å
463Q73.2Confident74.4Confident105 Ų10583.6 Ų83.649%0.49138%0.383SS..Hα-helixtrans-65.8-45.5172.1-164.1-161.482.500111.7A459 D460 W461 S466 K467A459-Q463 WeakPolarHBondContact O-CB 3.4Å; A459-Q463 PolarHBondContact O-N 3.15Å; D460-Q463 PolarHBondContact O-N 2.9Å; W461-Q463 VanDerWaalsContact C-N 3.28Å; W461-Q463 PolarHBondContact O-N 3.21Å; Q463-S466 CarbonylContact O-C 3.52Å; Q463-S466 WeakPolarHBondContact O-CA 3.47Å; Q463-S466 VanDerWaalsContact O-CB 3.29Å; Q463-S466 WeakPolarHBondContact O-CB 3.4Å; Q463-S466 PolarHBondContact O-N 2.78Å; Q463-S466 VanDerWaalsContact O-N 3.16Å; Q463-K467 WeakPolarHBondContact O-CG 3.29Å; Q463-K467 PolarHBondContact O-N 2.63Å
464E74.1Confident74.4Confident63 Ų6380.1 Ų80.129%0.29438%0.377SS..Hα-helixtrans-64.9-42.9178.4176.657.1-165.100112.1D460 W461 S466 K467 R468D460-E464 WeakPolarHBondContact O-CB 3.4Å; D460-E464 PolarHBondContact O-N 3.45Å; W461-E464 PolarHBondContact O-N 2.79Å; E464-S466 VanDerWaalsContact C-N 3.26Å; E464-S466 PolarHBondContact O-N 2.9Å; E464-K467 WeakPolarHBondContact O-CB 3.34Å; E464-K467 PolarHBondContact O-N 2.83Å; E464-K467 VanDerWaalsContact O-N 3.11Å; E464-K467 WeakPolarHBondContact OE2-CD 2.78Å; E464-K467 IonicContact OE2-NZ 2.67Å; E464-R468 WeakPolarHBondContact O-CG 3.43Å; E464-R468 PolarHBondContact O-N 2.79Å; E464-R468 IonicContact OE1-CZ 2.77Å; E464-R468 VanDerWaalsContact OE1-CZ 3.28Å; E464-R468 IonicContact OE1-NE 2.67Å; E464-R468 PolarHBondContact OE1-NE 3.17Å; E464-R468 IonicContact OE1-NH2 3.26Å; E464-R468 PolarHBondContact OE1-NH2 3.3Å
465Q75.6Confident74.2Confident18 Ų1882.7 Ų82.78%0.08439%0.389CS..Hα-helixtrans-60.6-36171-69-67.2-5.900111.8W461 R469W461-Q465 HydrophobicContact CD2-CG 3.78Å; W461-Q465 HydrophobicContact CE3-CG 4.12Å; W461-Q465 HydrophobicContact CG-CG 4.35Å; W461-Q465 HydrophobicContact CH2-CG 4.04Å; W461-Q465 HydrophobicContact CZ2-CG 3.68Å; W461-Q465 HydrophobicContact CZ3-CG 4.25Å; W461-Q465 WeakPolarHBondContact O-CB 3.47Å; W461-Q465 VanDerWaalsContact O-CG 3.3Å; W461-Q465 WeakPolarHBondContact O-CG 3.41Å; W461-Q465 PolarHBondContact O-N 3.12Å; Q465-R469 WeakPolarHBondContact O-CB 3.45Å; Q465-R469 WeakPolarHBondContact O-CG 3.49Å; Q465-R469 PolarHBondContact O-N 3.44Å; Q465-R469 PolarHBondContact O-NE 2.84Å
466S72.1Confident73.9Confident43 Ų4385 Ų8530%0.30139%0.391SS..Hα-helixtrans-65.3-41.3172.4-163.20000112.3E462 Q463 E464 R470E462-S466 WeakPolarHBondContact O-CB 3.28Å; E462-S466 PolarHBondContact O-N 3.03Å; Q463-S466 CarbonylContact O-C 3.52Å; Q463-S466 WeakPolarHBondContact O-CA 3.47Å; Q463-S466 VanDerWaalsContact O-CB 3.29Å; Q463-S466 WeakPolarHBondContact O-CB 3.4Å; Q463-S466 PolarHBondContact O-N 2.78Å; Q463-S466 VanDerWaalsContact O-N 3.16Å; E464-S466 VanDerWaalsContact C-N 3.26Å; E464-S466 PolarHBondContact O-N 2.9Å; S466-R470 VanDerWaalsContact O-CG 3.28Å; S466-R470 WeakPolarHBondContact O-CG 3.46Å; S466-R470 PolarHBondContact O-N 3.41Å
467K74.1Confident73.5Confident102 Ų10290.6 Ų90.644%0.44340%0.404SS..Hα-helixtrans-62.2-48.3173.3-66.5170-162.3154.80111.4Q463 E464 R469 R470 K471Q463-K467 WeakPolarHBondContact O-CG 3.29Å; Q463-K467 PolarHBondContact O-N 2.63Å; E464-K467 WeakPolarHBondContact O-CB 3.34Å; E464-K467 PolarHBondContact O-N 2.83Å; E464-K467 VanDerWaalsContact O-N 3.11Å; E464-K467 WeakPolarHBondContact OE2-CD 2.78Å; E464-K467 IonicContact OE2-NZ 2.67Å; K467-R469 PolarHBondContact O-N 3.01Å; K467-R470 WeakPolarHBondContact O-CA 3.27Å; K467-R470 WeakPolarHBondContact O-CB 3.45Å; K467-R470 PolarHBondContact O-N 2.83Å; K467-K471 PolarHBondContact O-N 3.49Å
468R75Confident73.2Confident140 Ų14095 Ų9553%0.52842%0.419SS..Hα-helixtrans-59-47.7177.4-68.7177-170.6-165.13111.9E464 R470 K471 W472E464-R468 WeakPolarHBondContact O-CG 3.43Å; E464-R468 PolarHBondContact O-N 2.79Å; E464-R468 IonicContact OE1-CZ 2.77Å; E464-R468 VanDerWaalsContact OE1-CZ 3.28Å; E464-R468 IonicContact OE1-NE 2.67Å; E464-R468 PolarHBondContact OE1-NE 3.17Å; E464-R468 IonicContact OE1-NH2 3.26Å; E464-R468 PolarHBondContact OE1-NH2 3.3Å; R468-R470 PolarHBondContact O-N 3.12Å; R468-K471 PolarHBondContact O-N 2.82Å; R468-K471 VanDerWaalsContact O-N 3.15Å; R468-W472 PolarHBondContact O-N 2.97Å
469R75.1Confident72.4Confident113 Ų113100.7 Ų100.743%0.42645%0.445SS..Hα-helixtrans-65.3-19.3174-71.7-176.8-68.9-118.32.8113.9Q465 K467 R473Q465-R469 WeakPolarHBondContact O-CB 3.45Å; Q465-R469 WeakPolarHBondContact O-CG 3.49Å; Q465-R469 PolarHBondContact O-N 3.44Å; Q465-R469 PolarHBondContact O-NE 2.84Å; K467-R469 PolarHBondContact O-N 3.01Å; R469-R473 WeakPolarHBondContact O-CG 3.45Å; R469-R473 PolarHBondContact O-NE 2.92Å; R469-R473 PolarHBondContact O-NH2 2.78Å
470R74.8Confident71.7Confident174 Ų174102.2 Ų102.266%0.65745%0.453SS*.Hα-helixtrans-81.3-44.2169-74.2171.2-176.8-155.7-0.3111.1S466 K467 R468 R473 A474S466-R470 VanDerWaalsContact O-CG 3.28Å; S466-R470 WeakPolarHBondContact O-CG 3.46Å; S466-R470 PolarHBondContact O-N 3.41Å; K467-R470 WeakPolarHBondContact O-CA 3.27Å; K467-R470 WeakPolarHBondContact O-CB 3.45Å; K467-R470 PolarHBondContact O-N 2.83Å; R468-R470 PolarHBondContact O-N 3.12Å; R470-R473 PolarHBondContact O-N 3.38Å; R470-A474 PolarHBondContact O-N 3.11Å
471K77.2Confident71Confident131 Ų131104.2 Ų104.257%0.5747%0.467SS*.Hα-helixtrans-60.3-52.8179.1-172.3-176.7162.7-179.30111.8K467 R468 R473 A474 E475K467-K471 PolarHBondContact O-N 3.49Å; R468-K471 PolarHBondContact O-N 2.82Å; R468-K471 VanDerWaalsContact O-N 3.15Å; K471-R473 VanDerWaalsContact C-N 3.3Å; K471-R473 PolarHBondContact O-N 2.82Å; K471-A474 CarbonylContact O-C 3.52Å; K471-A474 WeakPolarHBondContact O-CA 3.47Å; K471-A474 WeakPolarHBondContact O-CB 3.46Å; K471-A474 PolarHBondContact O-N 2.97Å; K471-E475 VanDerWaalsContact CE-CD 3.43Å; K471-E475 WeakPolarHBondContact CE-OE1 3.23Å; K471-E475 WeakPolarHBondContact CE-OE2 3.47Å; K471-E475 IonicContact NZ-OE1 2.76Å; K471-E475 PolarHBondContact O-N 3.21Å
472W73.9Confident69.7Low86 Ų86108.8 Ų108.833%0.32650%0.495SS..Hα-helixtrans-57.3-40.3177-178.490000112.6R468 A474 E475 R476 P496R468-W472 PolarHBondContact O-N 2.97Å; W472-A474 VanDerWaalsContact C-N 3.31Å; W472-A474 PolarHBondContact O-N 3.44Å; W472-E475 PolarHBondContact O-N 2.9Å; W472-R476 HydrophobicContact CD2-CG 4.4Å; W472-R476 HydrophobicContact CZ2-CG 4.42Å; W472-R476 PolarHBondContact O-N 2.89Å; W472-P496 HydrophobicContact CH2-CB 4.36Å; W472-P496 HydrophobicContact CZ2-CB 4.34Å
473R74.6Confident68.7Low142 Ų142111.7 Ų111.754%0.53651%0.506SS..Hα-helixtrans-69-24.3174.2-80.1-173.7-74-174.5-5.2113.8R469 R470 K471 R477R469-R473 WeakPolarHBondContact O-CG 3.45Å; R469-R473 PolarHBondContact O-NE 2.92Å; R469-R473 PolarHBondContact O-NH2 2.78Å; R470-R473 PolarHBondContact O-N 3.38Å; K471-R473 VanDerWaalsContact C-N 3.3Å; K471-R473 PolarHBondContact O-N 2.82Å; R473-R477 WeakPolarHBondContact O-CD 3.48Å; R473-R477 VanDerWaalsContact O-CG 3.27Å; R473-R477 WeakPolarHBondContact O-CG 3.31Å
474A73.6Confident67.7Low49 Ų49114.3 Ų114.341%0.40552%0.524SS..Hα-helixtrans-82.4-37.4173.800000111.7R470 K471 W472 R477 K478R470-A474 PolarHBondContact O-N 3.11Å; K471-A474 CarbonylContact O-C 3.52Å; K471-A474 WeakPolarHBondContact O-CA 3.47Å; K471-A474 WeakPolarHBondContact O-CB 3.46Å; K471-A474 PolarHBondContact O-N 2.97Å; W472-A474 VanDerWaalsContact C-N 3.31Å; W472-A474 PolarHBondContact O-N 3.44Å; A474-R477 WeakPolarHBondContact O-CB 3.33Å; A474-R477 PolarHBondContact O-N 3.3Å; A474-K478 PolarHBondContact O-N 2.92Å; A474-K478 VanDerWaalsContact O-N 3.1Å
475E72.7Confident66.7Low93 Ų93119.5 Ų119.544%0.43555%0.548SS..Hα-helixtrans-65.6-49.2175.7-74.1166.1153.600110.7K471 W472 R477 K478 E479K471-E475 VanDerWaalsContact CE-CD 3.43Å; K471-E475 WeakPolarHBondContact CE-OE1 3.23Å; K471-E475 WeakPolarHBondContact CE-OE2 3.47Å; K471-E475 IonicContact NZ-OE1 2.76Å; K471-E475 PolarHBondContact O-N 3.21Å; W472-E475 PolarHBondContact O-N 2.9Å; E475-R477 PolarHBondContact O-N 3.27Å; E475-R477 VanDerWaalsContact O-N 3.15Å; E475-K478 WeakPolarHBondContact O-CB 3.19Å; E475-K478 PolarHBondContact O-N 2.93Å; E475-E479 WeakPolarHBondContact O-CB 3.35Å; E475-E479 PolarHBondContact O-N 3.26Å
476R68.7Low65.1Low135 Ų135124 Ų12451%0.50958%0.581SS.*Hα-helixtrans-58.5-27.9172.7-74.1-154.166.6149.13114.2W472 S480W472-R476 HydrophobicContact CD2-CG 4.4Å; W472-R476 HydrophobicContact CZ2-CG 4.42Å; W472-R476 PolarHBondContact O-N 2.89Å; R476-S480 WeakPolarHBondContact O-CB 3.32Å; R476-S480 PolarHBondContact O-N 2.82Å; R476-S480 PolarHBondContact O-OG 3.49Å; R476-S480 VanDerWaalsContact O-OG 3.12Å
477R65.8Low64Low190 Ų190129.7 Ų129.772%0.71760%0.603SS**Hα-helixtrans-73.1-37.8173.4-81.4175.4-178.8-174.8-0.3112.7R473 A474 E475 S480 V481R473-R477 WeakPolarHBondContact O-CD 3.48Å; R473-R477 VanDerWaalsContact O-CG 3.27Å; R473-R477 WeakPolarHBondContact O-CG 3.31Å; A474-R477 WeakPolarHBondContact O-CB 3.33Å; A474-R477 PolarHBondContact O-N 3.3Å; E475-R477 PolarHBondContact O-N 3.27Å; E475-R477 VanDerWaalsContact O-N 3.15Å; R477-S480 WeakPolarHBondContact CA-OG 3.44Å; R477-S480 PolarHBondContact O-OG 3.28Å; R477-V481 VanDerWaalsContact O-CG2 3.31Å; R477-V481 WeakPolarHBondContact O-CG2 3.34Å; R477-V481 PolarHBondContact O-N 2.86Å
478K63.8Low63Low150 Ų150132.6 Ų132.665%0.65262%0.616SS**Hα-helixtrans-66.6-43.4172.7-69.4-179175.4-1720110.7A474 E475 S480 V481 N482A474-K478 PolarHBondContact O-N 2.92Å; A474-K478 VanDerWaalsContact O-N 3.1Å; E475-K478 WeakPolarHBondContact O-CB 3.19Å; E475-K478 PolarHBondContact O-N 2.93Å; K478-S480 VanDerWaalsContact C-N 3.35Å; K478-S480 PolarHBondContact O-N 3.48Å; K478-V481 PolarHBondContact O-N 3.41Å; K478-N482 PolarHBondContact O-N 3.06Å
479E58.2Low61.4Low128 Ų128131.8 Ų131.860%0.59862%0.622SS**Hα-helixtrans-61-40.9177.6-165170.3-115.400112.1E475 V481 N482 K483E475-E479 WeakPolarHBondContact O-CB 3.35Å; E475-E479 PolarHBondContact O-N 3.26Å; E479-V481 VanDerWaalsContact C-N 3.27Å; E479-V481 PolarHBondContact O-N 3.2Å; E479-N482 PolarHBondContact O-N 3.21Å; E479-K483 PolarHBondContact O-N 2.97Å
480S57Low59.9Low85 Ų85132.1 Ų132.159%0.59464%0.641SS**THydrogen-bonded Turntrans-71.7-13172.261.40000115.2R476 R477 K478R476-S480 WeakPolarHBondContact O-CB 3.32Å; R476-S480 PolarHBondContact O-N 2.82Å; R476-S480 PolarHBondContact O-OG 3.49Å; R476-S480 VanDerWaalsContact O-OG 3.12Å; R477-S480 WeakPolarHBondContact CA-OG 3.44Å; R477-S480 PolarHBondContact O-OG 3.28Å; K478-S480 VanDerWaalsContact C-N 3.35Å; K478-S480 PolarHBondContact O-N 3.48Å
481V57.2Low58.7Low112 Ų112131.4 Ų131.468%0.67965%0.651SS**THydrogen-bonded Turntrans-93.1-24.8174166.20000111.2R477 K478 E479 K483R477-V481 VanDerWaalsContact O-CG2 3.31Å; R477-V481 WeakPolarHBondContact O-CG2 3.34Å; R477-V481 PolarHBondContact O-N 2.86Å; K478-V481 PolarHBondContact O-N 3.41Å; E479-V481 VanDerWaalsContact C-N 3.27Å; E479-V481 PolarHBondContact O-N 3.2Å; V481-K483 VanDerWaalsContact C-N 3.35Å
482N53.5Low57.1Low137 Ų137130.6 Ų130.673%0.73366%0.661SS**SBendtrans-85.6-2.7176.1-70.11.7000113.7K478 E479K478-N482 PolarHBondContact O-N 3.06Å; E479-N482 PolarHBondContact O-N 3.21Å
483K52.7Low56.1Low150 Ų150132.6 Ų132.665%0.65269%0.686SS**  trans-113.562.7-175.6-165169.8-177.5166.50112.4E479 V481E479-K483 PolarHBondContact O-N 2.97Å; V481-K483 VanDerWaalsContact C-N 3.35Å
484D51.5Low55Low160 Ų160134.5 Ų134.586%0.85670%0.701SS**SBendtrans-121.39.8171.2-134.99.6000112
485E52.8Low54.2Low171 Ų171136.3 Ų136.380%0.79971%0.71SS**SBendtrans-134.5138.7172-82.1-76.3160.200108.8
486S42.2Very low53.6Low113 Ų113135.9 Ų135.979%0.7972%0.715SS**SBendtrans69.8153.8-179.5-149.40000118.5
487E49.1Very low53Low163 Ų163133.6 Ų133.676%0.76272%0.718SS**  trans-97.4-172.6-150.4-56.8-172.9107.300116.2
488K53.7Low52.4Low162 Ų162130.8 Ų130.870%0.70472%0.717SS**  trans-16.1152.7147.5-80.7173.9137.9-75.20116.7
489D41.2Very low52.2Low123 Ų123126.3 Ų126.366%0.65871%0.705SS**  cis-157.8-172.221.2-113.4-26.5000111
490S44.4Very low52.6Low120 Ų120124.7 Ų124.784%0.83970%0.704SS**  trans87.5135.1167.1-56.90000118.9
491D48.4Very low53.2Low159 Ų159124.2 Ų124.285%0.8569%0.692SS**  trans-92.9142.7-170.6-66-77.6000115.3
492S44Very low54.3Low114 Ų114121.9 Ų121.980%0.79768%0.678SS**  trans-165130.9131.1-83.40000110.8E494S492-E494 PolarHBondContact O-N 2.86Å; S492-E494 VanDerWaalsContact O-N 3.13Å
493P52.8Low55.6Low128 Ų128125.7 Ų125.783%0.83168%0.683SS**  trans-86.976.5-178.535-34.9000111.5S495P493-S495 PolarHBondContact O-N 3.44Å
494E52.1Low56.8Low183 Ų183125.7 Ų125.786%0.85569%0.685SS**PPolyproline II helixtrans-66.8130174-162.3165.9-135.400110.8S492S492-E494 PolarHBondContact O-N 2.86Å; S492-E494 VanDerWaalsContact O-N 3.13Å
495S56.8Low58.3Low87 Ų87118.1 Ų118.161%0.60865%0.645SS**PPolyproline II helixtrans-65.3162.8-171.8-680000112.3P493P493-S495 PolarHBondContact O-N 3.44Å
496P59.6Low59.8Low83 Ų83112 Ų11254%0.53962%0.623SS.*SBendtrans-50.9139.7156.826.2-35.1000108.7W472 D498W472-P496 HydrophobicContact CH2-CB 4.36Å; W472-P496 HydrophobicContact CZ2-CB 4.34Å; P496-D498 PolarHBondContact O-N 2.63Å
497P56.5Low62Low87 Ų87109.4 Ų109.457%0.56560%0.602SS**PPolyproline II helixtrans-55.2124.7-170.421.3-33.9000110.4S499P497-S499 PolarHBondContact O-N 3.41Å; P497-S499 VanDerWaalsContact O-N 3.17Å
498D53.9Low63.5Low131 Ų131101.6 Ų101.670%0.70157%0.566SS**PPolyproline II helixtrans-56.3121.2-163.6-172.710.4000111.1P496 T500P496-D498 PolarHBondContact O-N 2.63Å; D498-T500 HydrophobicContact CB-CG2 4.32Å; D498-T500 PolarHBondContact O-N 3.41Å; D498-T500 WeakPolarHBondContact OD2-CG2 3.29Å
499S59.6Low64.9Low57 Ų5797.9 Ų97.940%0.39955%0.548SS..  trans-82.648.8-174.763.10000111.1P497 E501P497-S499 PolarHBondContact O-N 3.41Å; P497-S499 VanDerWaalsContact O-N 3.17Å; S499-E501 PolarHBondContact O-N 3.45Å
500T65.8Low67.3Low94 Ų9498 Ų9858%0.57754%0.544SS*.PPolyproline II helixtrans-49.6120.217353.60000109.3D498 T502D498-T500 HydrophobicContact CB-CG2 4.32Å; D498-T500 PolarHBondContact O-N 3.41Å; D498-T500 WeakPolarHBondContact OD2-CG2 3.29Å; T500-T502 PolarHBondContact O-N 3.31Å
501E69Low69.3Low74 Ų7495 Ų9535%0.34652%0.519SS..PPolyproline II helixtrans-66.4127.8177.9-171.4158.3-118.300108.5W461 S499 R503 V505 A506 R509W461-E501 HydrophobicContact CH2-CB 4.44Å; W461-E501 HydrophobicContact CH2-CG 4.38Å; W461-E501 HydrophobicContact CZ2-CB 4.19Å; W461-E501 HydrophobicContact CZ2-CG 4.24Å; S499-E501 PolarHBondContact O-N 3.45Å; E501-R503 PolarHBondContact O-N 3.28Å; E501-V505 HydrophobicContact CG-CB 3.88Å; E501-V505 HydrophobicContact CG-CG1 3.87Å; E501-V505 WeakPolarHBondContact OE1-CG1 3.33Å; E501-A506 HydrophobicContact CG-CB 4.41Å; E501-R509 IonicContact OE1-CZ 3.16Å; E501-R509 VanDerWaalsContact OE1-CZ 3.32Å; E501-R509 IonicContact OE1-NE 2.71Å; E501-R509 PolarHBondContact OE1-NE 3.41Å; E501-R509 IonicContact OE1-NH2 3.31Å; E501-R509 PolarHBondContact OE1-NH2 3.23Å; E501-R509 IonicContact OE2-NE 3.65Å
502T80.3Confident71.1Confident63 Ų6388.8 Ų88.839%0.38749%0.485SS..PPolyproline II helixtrans-65.4140.3179.442.10000108.7T500 E504 V505 A506T500-T502 PolarHBondContact O-N 3.31Å; T502-E504 PolarHBondContact O-N 2.76Å; T502-V505 WeakPolarHBondContact O-CA 3.22Å; T502-V505 PolarHBondContact O-N 3.39Å; T502-V505 VanDerWaalsContact OG1-CG2 3.23Å; T502-V505 WeakPolarHBondContact OG1-CG2 3.43Å; T502-A506 PolarHBondContact O-N 3.38Å; T502-A506 VanDerWaalsContact O-N 3.1Å
503R80.7Confident73.3Confident218 Ų21889.5 Ų89.582%0.82348%0.48SS*.Hα-helixtrans-50.2-35.7-176.3-176177.1177.9175.6-0.3113E501 V507E501-R503 PolarHBondContact O-N 3.28Å; R503-V507 WeakPolarHBondContact O-CB 3.43Å; R503-V507 VanDerWaalsContact O-CG2 3.27Å; R503-V507 WeakPolarHBondContact O-CG2 3.4Å; R503-V507 PolarHBondContact O-N 3.07Å
504E77.8Confident75.1Confident149 Ų14987.2 Ų87.270%0.69646%0.463SS*.Hα-helixtrans-62.5-37.2175.8-63.9167.1-178.800113.4T502 A508T502-E504 PolarHBondContact O-N 2.76Å; E504-A508 VanDerWaalsContact O-CB 3.31Å; E504-A508 WeakPolarHBondContact O-CB 3.35Å; E504-A508 PolarHBondContact O-N 3.23Å
505V83.5Confident76.7Confident2 Ų279.5 Ų79.51%0.01243%0.428CS..Hα-helixtrans-80.4-38.6-179.6179.60000110.7T457 I458 W461 E501 T502 A508 R509T457-V505 HydrophobicContact CG2-CG2 4.24Å; I458-V505 HydrophobicContact CG1-CG1 4.03Å; W461-V505 HydrophobicContact CB-CG2 3.65Å; W461-V505 HydrophobicContact CD2-CG1 4.3Å; W461-V505 HydrophobicContact CD2-CG2 4.36Å; W461-V505 HydrophobicContact CE3-CG1 4.27Å; W461-V505 HydrophobicContact CG-CG1 4.43Å; W461-V505 HydrophobicContact CG-CG2 3.73Å; E501-V505 HydrophobicContact CG-CB 3.88Å; E501-V505 HydrophobicContact CG-CG1 3.87Å; E501-V505 WeakPolarHBondContact OE1-CG1 3.33Å; T502-V505 WeakPolarHBondContact O-CA 3.22Å; T502-V505 PolarHBondContact O-N 3.39Å; T502-V505 VanDerWaalsContact OG1-CG2 3.23Å; T502-V505 WeakPolarHBondContact OG1-CG2 3.43Å; V505-A508 WeakPolarHBondContact O-CB 3.46Å; V505-A508 PolarHBondContact O-N 3.21Å; V505-A508 VanDerWaalsContact O-N 3.15Å; V505-R509 WeakPolarHBondContact O-CG 3.49Å; V505-R509 PolarHBondContact O-N 3.42Å
506A85.4Confident78Confident42 Ų4279.4 Ų79.435%0.34742%0.418SS..Hα-helixtrans-58.8-47.4170.900000111.2E501 T502 A508 R509 E510E501-A506 HydrophobicContact CG-CB 4.41Å; T502-A506 PolarHBondContact O-N 3.38Å; T502-A506 VanDerWaalsContact O-N 3.1Å; A506-A508 VanDerWaalsContact C-N 3.34Å; A506-A508 PolarHBondContact O-N 2.68Å; A506-R509 PolarHBondContact O-N 2.77Å; A506-E510 PolarHBondContact O-N 3.45Å
507V87.3Confident79.5Confident58 Ų5878.2 Ų78.235%0.35242%0.416SS..Hα-helixtrans-62.9-37.3172.9169.70000111.7R503 R509 E510 N511R503-V507 WeakPolarHBondContact O-CB 3.43Å; R503-V507 VanDerWaalsContact O-CG2 3.27Å; R503-V507 WeakPolarHBondContact O-CG2 3.4Å; R503-V507 PolarHBondContact O-N 3.07Å; V507-R509 VanDerWaalsContact C-N 3.33Å; V507-R509 PolarHBondContact O-N 2.75Å; V507-E510 PolarHBondContact O-N 3.11Å; V507-N511 WeakPolarHBondContact O-CB 3.3Å; V507-N511 VanDerWaalsContact O-CG 3.28Å; V507-N511 PolarHBondContact O-N 2.99Å; V507-N511 PolarHBondContact O-OD1 3.5Å
508A80.2Confident81.1Confident0 Ų078.5 Ų78.50%041%0.41CS..Hα-helixtrans-64.3-35.2174.700000112.8H454 T457 I458 E504 V505 A506 L512H454-A508 HydrophobicContact CB-CB 4.03Å; H454-A508 WeakPolarHBondContact ND1-CB 3.38Å; T457-A508 HydrophobicContact CG2-CB 4.44Å; I458-A508 HydrophobicContact CD1-CB 4.4Å; I458-A508 HydrophobicContact CG1-CB 4.2Å; E504-A508 VanDerWaalsContact O-CB 3.31Å; E504-A508 WeakPolarHBondContact O-CB 3.35Å; E504-A508 PolarHBondContact O-N 3.23Å; V505-A508 WeakPolarHBondContact O-CB 3.46Å; V505-A508 PolarHBondContact O-N 3.21Å; V505-A508 VanDerWaalsContact O-N 3.15Å; A506-A508 VanDerWaalsContact C-N 3.34Å; A506-A508 PolarHBondContact O-N 2.68Å; A508-L512 VanDerWaalsContact O-CB 3.24Å; A508-L512 WeakPolarHBondContact O-CB 3.28Å; A508-L512 PolarHBondContact O-N 3Å
509R84.6Confident82.8Confident84 Ų8474.4 Ų74.432%0.31739%0.386SS..Hα-helixtrans-71.2-39.9173.3-67.5-171.3-162.2-81.6-0.9112.1I458 E462 E501 V505 A506 V507 L512 L513I458-R509 HydrophobicContact CD1-CG 3.79Å; I458-R509 HydrophobicContact CG1-CG 4.2Å; E462-R509 IonicContact OE1-CZ 2.76Å; E462-R509 IonicContact OE1-NH1 2.86Å; E462-R509 PolarHBondContact OE1-NH1 3.44Å; E462-R509 IonicContact OE1-NH2 3.24Å; E462-R509 PolarHBondContact OE1-NH2 2.83Å; E501-R509 IonicContact OE1-CZ 3.16Å; E501-R509 VanDerWaalsContact OE1-CZ 3.32Å; E501-R509 IonicContact OE1-NE 2.71Å; E501-R509 PolarHBondContact OE1-NE 3.41Å; E501-R509 IonicContact OE1-NH2 3.31Å; E501-R509 PolarHBondContact OE1-NH2 3.23Å; E501-R509 IonicContact OE2-NE 3.65Å; V505-R509 WeakPolarHBondContact O-CG 3.49Å; V505-R509 PolarHBondContact O-N 3.42Å; A506-R509 PolarHBondContact O-N 2.77Å; V507-R509 VanDerWaalsContact C-N 3.33Å; V507-R509 PolarHBondContact O-N 2.75Å; R509-L512 PolarHBondContact O-N 3.19Å; R509-L513 WeakPolarHBondContact O-CG 3.48Å; R509-L513 PolarHBondContact O-N 2.78Å; R509-L513 VanDerWaalsContact O-N 3.15Å
510E90.1Very high84.2Confident125 Ų12578.4 Ų78.458%0.58440%0.397SS*.Hα-helixtrans-62.4-49.6174.8-173.3176.3-173.700111.5A506 V507 L512 L513 T514A506-E510 PolarHBondContact O-N 3.45Å; V507-E510 PolarHBondContact O-N 3.11Å; E510-L512 VanDerWaalsContact C-N 3.31Å; E510-L512 PolarHBondContact O-N 2.97Å; E510-L513 WeakPolarHBondContact O-CB 3.35Å; E510-L513 PolarHBondContact O-N 2.84Å; E510-L513 VanDerWaalsContact O-N 3.15Å; E510-T514 PolarHBondContact O-N 3.06Å; E510-T514 VanDerWaalsContact O-N 3.17Å
511N86.9Confident85.5Confident58 Ų5879.6 Ų79.631%0.3139%0.394SS..Hα-helixtrans-61-37.8175.2-734.4000112.4H454 V507 L513 T514 L515H454-N511 PolarHBondContact CE1-ND2 2.99Å; H454-N511 VanDerWaalsContact CE1-ND2 3.3Å; H454-N511 WeakPolarHBondContact NE2-CB 3.44Å; H454-N511 PolarHBondContact NE2-ND2 3.43Å; H454-N511 VanDerWaalsContact NE2-ND2 3.11Å; V507-N511 WeakPolarHBondContact O-CB 3.3Å; V507-N511 VanDerWaalsContact O-CG 3.28Å; V507-N511 PolarHBondContact O-N 2.99Å; V507-N511 PolarHBondContact O-OD1 3.5Å; N511-L513 VanDerWaalsContact C-N 3.31Å; N511-L513 PolarHBondContact O-N 3.21Å; N511-T514 WeakPolarHBondContact CA-OG1 3.3Å; N511-T514 PolarHBondContact O-N 2.75Å; N511-T514 PolarHBondContact O-OG1 3.36Å; N511-L515 VanDerWaalsContact O-CB 3.26Å; N511-L515 WeakPolarHBondContact O-CB 3.19Å; N511-L515 WeakPolarHBondContact O-CD1 2.88Å; N511-L515 WeakPolarHBondContact O-CG 3.4Å; N511-L515 PolarHBondContact O-N 2.8Å
512L85.6Confident86.4Confident28 Ų2877 Ų7715%0.14738%0.382CS..Hα-helixtrans-61.9-39.8175.9-179.862.1000111.6T451 L455 I458 A508 R509 E510 M516T451-L512 HydrophobicContact CG2-CD1 3.76Å; L455-L512 HydrophobicContact CD2-CD2 3.82Å; L455-L512 HydrophobicContact CG-CD1 4.4Å; L455-L512 HydrophobicContact CG-CD2 4.47Å; I458-L512 HydrophobicContact CD1-CD2 4.24Å; A508-L512 VanDerWaalsContact O-CB 3.24Å; A508-L512 WeakPolarHBondContact O-CB 3.28Å; A508-L512 PolarHBondContact O-N 3Å; R509-L512 PolarHBondContact O-N 3.19Å; E510-L512 VanDerWaalsContact C-N 3.31Å; E510-L512 PolarHBondContact O-N 2.97Å; L512-M516 HydrophobicContact CD1-CG 4.2Å; L512-M516 HydrophobicContact CD1-SD 4.2Å; L512-M516 HydrophobicContact CG-SD 4.2Å; L512-M516 WeakPolarHBondContact O-CB 3.5Å; L512-M516 WeakPolarHBondContact O-CG 3.47Å; L512-M516 PolarHBondContact O-N 3.07Å
513L90.4Very high86.7Confident129 Ų12980.4 Ų80.468%0.67539%0.393SS*.Hα-helixtrans-66.3-41.2177.3-69.9170000112.3R509 E510 N511 A517R509-L513 WeakPolarHBondContact O-CG 3.48Å; R509-L513 PolarHBondContact O-N 2.78Å; R509-L513 VanDerWaalsContact O-N 3.15Å; E510-L513 WeakPolarHBondContact O-CB 3.35Å; E510-L513 PolarHBondContact O-N 2.84Å; E510-L513 VanDerWaalsContact O-N 3.15Å; N511-L513 VanDerWaalsContact C-N 3.31Å; N511-L513 PolarHBondContact O-N 3.21Å; L513-A517 PolarHBondContact O-N 2.9Å
514T90.5Very high87.2Confident79 Ų7977.4 Ų77.449%0.48539%0.387SS..Hα-helixtrans-69.3-46.6177.356.20000111.5E510 N511 M516 A517 E518E510-T514 PolarHBondContact O-N 3.06Å; E510-T514 VanDerWaalsContact O-N 3.17Å; N511-T514 WeakPolarHBondContact CA-OG1 3.3Å; N511-T514 PolarHBondContact O-N 2.75Å; N511-T514 PolarHBondContact O-OG1 3.36Å; T514-M516 VanDerWaalsContact C-N 3.33Å; T514-M516 PolarHBondContact O-N 2.86Å; T514-A517 WeakPolarHBondContact O-CA 3.49Å; T514-A517 WeakPolarHBondContact O-CB 3.49Å; T514-A517 PolarHBondContact O-N 3.22Å; T514-E518 WeakPolarHBondContact O-CG 3.38Å; T514-E518 PolarHBondContact O-N 2.83Å
515L86Confident87.8Confident21 Ų2174.6 Ų74.611%0.1137%0.373CS..Hα-helixtrans-57.3-41.6175.3-72.5169.7000112.4I447 D450 N511 A517 E518 Q519I447-L515 HydrophobicContact CB-CD2 4.32Å; I447-L515 HydrophobicContact CG1-CD2 3.97Å; I447-L515 HydrophobicContact CG2-CB 4.14Å; I447-L515 HydrophobicContact CG2-CD2 4.08Å; D450-L515 HydrophobicContact CB-CD1 3.93Å; D450-L515 HydrophobicContact CB-CD2 4.48Å; N511-L515 VanDerWaalsContact O-CB 3.26Å; N511-L515 WeakPolarHBondContact O-CB 3.19Å; N511-L515 WeakPolarHBondContact O-CD1 2.88Å; N511-L515 WeakPolarHBondContact O-CG 3.4Å; N511-L515 PolarHBondContact O-N 2.8Å; L515-A517 VanDerWaalsContact C-N 3.31Å; L515-A517 PolarHBondContact O-N 2.9Å; L515-E518 PolarHBondContact O-N 2.84Å; L515-Q519 WeakPolarHBondContact O-CB 3.41Å; L515-Q519 PolarHBondContact O-N 2.95Å
516M85.3Confident88.1Confident85 Ų8577 Ų7742%0.41938%0.384SS..Hα-helixtrans-68-27.4175.2-73.3-176.482.100113.4L512 T514 K520L512-M516 HydrophobicContact CD1-CG 4.2Å; L512-M516 HydrophobicContact CD1-SD 4.2Å; L512-M516 HydrophobicContact CG-SD 4.2Å; L512-M516 WeakPolarHBondContact O-CB 3.5Å; L512-M516 WeakPolarHBondContact O-CG 3.47Å; L512-M516 PolarHBondContact O-N 3.07Å; T514-M516 VanDerWaalsContact C-N 3.33Å; T514-M516 PolarHBondContact O-N 2.86Å; M516-K520 WeakPolarHBondContact O-CG 3.42Å; M516-K520 PolarHBondContact O-N 3.47Å
517A90.8Very high88.2Confident59 Ų5976.6 Ų76.649%0.48838%0.383SS..Hα-helixtrans-74.6-41.3172.600000111.5L513 T514 L515 K520 K521L513-A517 PolarHBondContact O-N 2.9Å; T514-A517 WeakPolarHBondContact O-CA 3.49Å; T514-A517 WeakPolarHBondContact O-CB 3.49Å; T514-A517 PolarHBondContact O-N 3.22Å; L515-A517 VanDerWaalsContact C-N 3.31Å; L515-A517 PolarHBondContact O-N 2.9Å; A517-K520 PolarHBondContact O-N 2.82Å; A517-K521 PolarHBondContact O-N 2.73Å; A517-K521 VanDerWaalsContact O-N 3.08Å
518E89.1Confident88.6Confident93 Ų9378.7 Ų78.744%0.43539%0.392SS..Hα-helixtrans-67.2-38.8175.9-63.5-145.9119.500112.5I447 T514 L515 K520 K521 I522I447-E518 HydrophobicContact CD1-CB 3.88Å; T514-E518 WeakPolarHBondContact O-CG 3.38Å; T514-E518 PolarHBondContact O-N 2.83Å; L515-E518 PolarHBondContact O-N 2.84Å; E518-K520 PolarHBondContact O-N 2.91Å; E518-K521 WeakPolarHBondContact O-CB 3.38Å; E518-K521 PolarHBondContact O-N 2.88Å; E518-I522 PolarHBondContact O-N 3.24Å
519Q89.3Confident89Confident44 Ų4480.7 Ų80.721%0.20640%0.402CS..Hα-helixtrans-56.2-47.8172.2178.9163.373.600111.8N444 I447 L515 K521 I522 Q523N444-Q519 PolarHBondContact OD1-NE2 2.91Å; I447-Q519 HydrophobicContact CG2-CB 4.07Å; L515-Q519 WeakPolarHBondContact O-CB 3.41Å; L515-Q519 PolarHBondContact O-N 2.95Å; Q519-K521 VanDerWaalsContact C-N 3.33Å; Q519-K521 PolarHBondContact O-N 3.21Å; Q519-I522 PolarHBondContact O-N 3.32Å; Q519-Q523 WeakPolarHBondContact O-CB 3.5Å; Q519-Q523 PolarHBondContact O-N 2.97Å
520K89.8Confident89.2Confident142 Ų14280.8 Ų80.862%0.61741%0.407SS*.Hα-helixtrans-62.8-38.3176.9-72.6172-178.6175.70112.4M516 A517 E518 K524M516-K520 WeakPolarHBondContact O-CG 3.42Å; M516-K520 PolarHBondContact O-N 3.47Å; A517-K520 PolarHBondContact O-N 2.82Å; E518-K520 PolarHBondContact O-N 2.91Å; K520-K524 WeakPolarHBondContact O-CB 3.47Å; K520-K524 PolarHBondContact O-N 3.39Å
521K93.3Very high89.3Confident119 Ų11980.2 Ų80.252%0.51740%0.404SS..Hα-helixtrans-63.6-48.2175.8175.3-174.7169.9-166.60111.2A517 E518 Q519 K524 Q525A517-K521 PolarHBondContact O-N 2.73Å; A517-K521 VanDerWaalsContact O-N 3.08Å; E518-K521 WeakPolarHBondContact O-CB 3.38Å; E518-K521 PolarHBondContact O-N 2.88Å; Q519-K521 VanDerWaalsContact C-N 3.33Å; Q519-K521 PolarHBondContact O-N 3.21Å; K521-K524 PolarHBondContact O-N 3.35Å; K521-Q525 WeakPolarHBondContact O-CG 3.4Å; K521-Q525 PolarHBondContact O-N 3.46Å
522I87.9Confident89.5Confident19 Ų1984.1 Ų84.110%0.09741%0.414CS..Hα-helixtrans-64.5-42.9177.1-74.4161000111.2L440 N444 I447 E518 Q519 K524 Q525 K526L440-I522 HydrophobicContact CB-CG2 4.13Å; L440-I522 HydrophobicContact CD2-CG1 4.26Å; L440-I522 HydrophobicContact CD2-CG2 4.15Å; N444-I522 HydrophobicContact CB-CG2 4Å; I447-I522 HydrophobicContact CD1-CD1 3.4Å; E518-I522 PolarHBondContact O-N 3.24Å; Q519-I522 PolarHBondContact O-N 3.32Å; I522-K524 VanDerWaalsContact C-N 3.32Å; I522-K524 PolarHBondContact O-N 3.35Å; I522-Q525 PolarHBondContact O-N 2.74Å; I522-Q525 VanDerWaalsContact O-N 3.13Å; I522-K526 WeakPolarHBondContact O-CB 3.27Å; I522-K526 PolarHBondContact O-N 2.62Å
523Q85.8Confident89.6Confident134 Ų13483.6 Ų83.663%0.62641%0.411SS*.Hα-helixtrans-61.3-39.8177.1-168173.97.900111.8Q519 K526 G527Q519-Q523 WeakPolarHBondContact O-CB 3.5Å; Q519-Q523 PolarHBondContact O-N 2.97Å; Q523-K526 PolarHBondContact O-N 2.74Å; Q523-G527 PolarHBondContact O-N 3.22Å; Q523-G527 VanDerWaalsContact O-N 3.16Å
524K92.3Very high89.4Confident156 Ų15682 Ų8268%0.67840%0.403SS*.Hα-helixtrans-65.8-40172.5-174.6175.4-179.4177.70112.6K520 K521 I522 L528K520-K524 WeakPolarHBondContact O-CB 3.47Å; K520-K524 PolarHBondContact O-N 3.39Å; K521-K524 PolarHBondContact O-N 3.35Å; I522-K524 VanDerWaalsContact C-N 3.32Å; I522-K524 PolarHBondContact O-N 3.35Å; K524-L528 HydrophobicContact CG-CD1 4.5Å; K524-L528 WeakPolarHBondContact O-CG 3.29Å; K524-L528 PolarHBondContact O-N 2.88Å
525Q90.8Very high89.4Confident89 Ų8982.8 Ų82.842%0.41640%0.401SS..Hα-helixtrans-68-38.1176.3-72.4178.1-63.200112.2L440 K521 I522 L528 L529L440-Q525 HydrophobicContact CD1-CB 3.87Å; K521-Q525 WeakPolarHBondContact O-CG 3.4Å; K521-Q525 PolarHBondContact O-N 3.46Å; I522-Q525 PolarHBondContact O-N 2.74Å; I522-Q525 VanDerWaalsContact O-N 3.13Å; Q525-L528 PolarHBondContact O-N 3.18Å; Q525-L529 PolarHBondContact O-N 2.77Å; Q525-L529 VanDerWaalsContact O-N 3.11Å
526K88.2Confident89.4Confident54 Ų5482.5 Ų82.524%0.23540%0.399CS..Hα-helixtrans-60.4-53176.2172.9165.7173174.10110.7L437 L440 E441 I522 Q523 L528 L529 E530L437-K526 HydrophobicContact CD2-CG 4Å; L440-K526 HydrophobicContact CD1-CB 4.26Å; E441-K526 HydrophobicContact CG-CD 4.37Å; E441-K526 IonicContact OE1-NZ 3.6Å; E441-K526 PolarHBondContact OE1-NZ 3.49Å; I522-K526 WeakPolarHBondContact O-CB 3.27Å; I522-K526 PolarHBondContact O-N 2.62Å; Q523-K526 PolarHBondContact O-N 2.74Å; K526-L528 VanDerWaalsContact C-N 3.31Å; K526-L528 PolarHBondContact O-N 3.01Å; K526-L529 CarbonylContact O-C 3.54Å; K526-L529 PolarHBondContact O-N 2.82Å; K526-E530 WeakPolarHBondContact CE-OE1 3.36Å; K526-E530 HydrophobicContact CG-CG 4.21Å; K526-E530 WeakPolarHBondContact CG-OE2 3.25Å; K526-E530 IonicContact NZ-OE1 3.64Å; K526-E530 WeakPolarHBondContact O-CG 3.07Å; K526-E530 PolarHBondContact O-N 3.19Å
527G89.3Confident89.4Confident33 Ų3383.5 Ų83.534%0.3440%0.398SS..Hα-helixtrans-58.6-37.917900000114.2Q523 L529 E530 Q531Q523-G527 PolarHBondContact O-N 3.22Å; Q523-G527 VanDerWaalsContact O-N 3.16Å; G527-L529 PolarHBondContact O-N 3.47Å; G527-E530 PolarHBondContact O-N 3.4Å; G527-Q531 PolarHBondContact O-N 3.5Å
528L94.1Very high89.3Confident102 Ų10283.1 Ų83.153%0.53439%0.388SS..Hα-helixtrans-65.9-35174.5-71.8169.5000113K524 Q525 K526 R532K524-L528 HydrophobicContact CG-CD1 4.5Å; K524-L528 WeakPolarHBondContact O-CG 3.29Å; K524-L528 PolarHBondContact O-N 2.88Å; Q525-L528 PolarHBondContact O-N 3.18Å; K526-L528 VanDerWaalsContact C-N 3.31Å; K526-L528 PolarHBondContact O-N 3.01Å; L528-R532 WeakPolarHBondContact O-CB 3.36Å; L528-R532 PolarHBondContact O-N 3.15Å
529L90.1Very high89.1Confident41 Ų4182.8 Ų82.822%0.21538%0.383CS..Hα-helixtrans-76.8-34.7175-73.7-174.8000112.3I433 L437 L440 Q525 K526 G527 R532 F533I433-L529 HydrophobicContact CG2-CB 4Å; I433-L529 HydrophobicContact CG2-CD2 4.24Å; I433-L529 WeakPolarHBondContact CG2-O 3.45Å; L437-L529 HydrophobicContact CD2-CB 3.56Å; L437-L529 HydrophobicContact CD2-CD1 4.43Å; L437-L529 HydrophobicContact CG-CB 4.03Å; L440-L529 HydrophobicContact CD1-CD1 3.85Å; Q525-L529 PolarHBondContact O-N 2.77Å; Q525-L529 VanDerWaalsContact O-N 3.11Å; K526-L529 CarbonylContact O-C 3.54Å; K526-L529 PolarHBondContact O-N 2.82Å; G527-L529 PolarHBondContact O-N 3.47Å; L529-R532 PolarHBondContact O-N 2.86Å; L529-F533 WeakPolarHBondContact O-CB 3.45Å; L529-F533 PolarHBondContact O-N 3.07Å
530E88.1Confident88.9Confident87 Ų8780.9 Ų80.941%0.40738%0.375SS..Hα-helixtrans-64.2-45.6174.8-71.9173.2136.300111.5L437 K526 G527 R532 F533 L534L437-E530 HydrophobicContact CD1-CG 4.2Å; L437-E530 HydrophobicContact CD2-CG 3.74Å; K526-E530 WeakPolarHBondContact CE-OE1 3.36Å; K526-E530 HydrophobicContact CG-CG 4.21Å; K526-E530 WeakPolarHBondContact CG-OE2 3.25Å; K526-E530 IonicContact NZ-OE1 3.64Å; K526-E530 WeakPolarHBondContact O-CG 3.07Å; K526-E530 PolarHBondContact O-N 3.19Å; G527-E530 PolarHBondContact O-N 3.4Å; E530-R532 PolarHBondContact O-N 2.82Å; E530-F533 WeakPolarHBondContact O-CB 3.3Å; E530-F533 PolarHBondContact O-N 3.35Å; E530-L534 PolarHBondContact O-N 3.01Å
531Q91.1Very high88.6Confident113 Ų11380.1 Ų80.153%0.52837%0.368SS..Hα-helixtrans-57.2-49.8173.1-174.6-170-33.700111.2G527 F533 L534 E535G527-Q531 PolarHBondContact O-N 3.5Å; Q531-F533 VanDerWaalsContact C-N 3.28Å; Q531-F533 PolarHBondContact O-N 3.14Å; Q531-L534 WeakPolarHBondContact O-CB 3.47Å; Q531-L534 PolarHBondContact O-N 3.37Å; Q531-L534 VanDerWaalsContact O-N 3.14Å; Q531-E535 PolarHBondContact NE2-OE1 3.08Å; Q531-E535 WeakPolarHBondContact O-CG 3.49Å; Q531-E535 PolarHBondContact O-N 2.94Å
532R91.3Very high88.3Confident139 Ų13980.7 Ų80.753%0.52537%0.367SS..Hα-helixtrans-67.2-28.1-179.5-167.8178.5176.91762.8113.1I433 L528 L529 E530 L536I433-R532 HydrophobicContact CD1-CB 3.98Å; I433-R532 HydrophobicContact CD1-CG 3.63Å; L528-R532 WeakPolarHBondContact O-CB 3.36Å; L528-R532 PolarHBondContact O-N 3.15Å; L529-R532 PolarHBondContact O-N 2.86Å; E530-R532 PolarHBondContact O-N 2.82Å; R532-L536 WeakPolarHBondContact O-CG 3.43Å; R532-L536 PolarHBondContact O-N 3.44Å
533F87.5Confident88Confident17 Ų1780.6 Ų80.68%0.07537%0.367CS..Hα-helixtrans-66.6-43.2171.8-176.8-106.4000111.1Q430 I433 R434 L437 L529 E530 Q531 L536 R537 I571Q430-F533 HydrophobicContact CB-CD2 4.42Å; Q430-F533 HydrophobicContact CB-CE2 4.01Å; I433-F533 HydrophobicContact CB-CD2 4.38Å; I433-F533 HydrophobicContact CG2-CB 3.91Å; I433-F533 HydrophobicContact CG2-CD2 4.29Å; R434-F533 HydrophobicContact CB-CE2 4.09Å; L437-F533 HydrophobicContact CD1-CB 4.47Å; L529-F533 WeakPolarHBondContact O-CB 3.45Å; L529-F533 PolarHBondContact O-N 3.07Å; E530-F533 WeakPolarHBondContact O-CB 3.3Å; E530-F533 PolarHBondContact O-N 3.35Å; Q531-F533 VanDerWaalsContact C-N 3.28Å; Q531-F533 PolarHBondContact O-N 3.14Å; F533-L536 PolarHBondContact O-N 3.43Å; F533-R537 WeakPolarHBondContact O-CB 3.44Å; F533-R537 PolarHBondContact O-N 2.88Å; F533-I571 HydrophobicContact CZ-CD1 4.26Å; F533-I571 HydrophobicContact CZ-CG2 4.07Å
534L88.1Confident87.8Confident96 Ų9678.1 Ų78.150%0.50336%0.355SS..Hα-helixtrans-63.3-46.5175.9-173.163.5000111.9E530 Q531 L536 R537 D538E530-L534 PolarHBondContact O-N 3.01Å; Q531-L534 WeakPolarHBondContact O-CB 3.47Å; Q531-L534 PolarHBondContact O-N 3.37Å; Q531-L534 VanDerWaalsContact O-N 3.14Å; L534-L536 VanDerWaalsContact C-N 3.27Å; L534-L536 PolarHBondContact O-N 3.39Å; L534-R537 WeakPolarHBondContact O-CB 3.46Å; L534-R537 PolarHBondContact O-N 3Å; L534-D538 PolarHBondContact O-N 2.96Å
535E89.7Confident87.5Confident96 Ų9676.1 Ų76.145%0.44935%0.348SS..Hα-helixtrans-55.5-41175.3-70.5167.4-172.400112.4Q531 R539Q531-E535 PolarHBondContact NE2-OE1 3.08Å; Q531-E535 WeakPolarHBondContact O-CG 3.49Å; Q531-E535 PolarHBondContact O-N 2.94Å; E535-R539 PolarHBondContact O-N 3.08Å; E535-R539 VanDerWaalsContact O-N 3.08Å
536L86.9Confident87Confident15 Ų1575.3 Ų75.38%0.07935%0.346CS..Hα-helixtrans-75.1-32.7175.6-74.2175.9000113.3Q429 Q430 I433 R532 F533 L534 R539 G540Q429-L536 HydrophobicContact CB-CD1 3.69Å; Q429-L536 HydrophobicContact CB-CD2 4.42Å; Q430-L536 HydrophobicContact CG-CB 3.79Å; Q430-L536 PolarHBondContact NE2-O 3.33Å; I433-L536 HydrophobicContact CD1-CD1 3.72Å; R532-L536 WeakPolarHBondContact O-CG 3.43Å; R532-L536 PolarHBondContact O-N 3.44Å; F533-L536 PolarHBondContact O-N 3.43Å; L534-L536 VanDerWaalsContact C-N 3.27Å; L534-L536 PolarHBondContact O-N 3.39Å; L536-R539 PolarHBondContact O-N 3.02Å; L536-G540 PolarHBondContact O-N 3.3Å
537R85.2Confident86.4Confident106 Ų10673 Ų7340%0.434%0.337SS..Hα-helixtrans-61.1-47.5173.5-173-179.3-176179.63.4110.2F533 L534 R539 G540 R541F533-R537 WeakPolarHBondContact O-CB 3.44Å; F533-R537 PolarHBondContact O-N 2.88Å; L534-R537 WeakPolarHBondContact O-CB 3.46Å; L534-R537 PolarHBondContact O-N 3Å; R537-R539 VanDerWaalsContact C-N 3.35Å; R537-R539 PolarHBondContact O-N 3.41Å; R537-G540 WeakPolarHBondContact O-CA 3.49Å; R537-G540 PolarHBondContact O-N 3.39Å; R537-G540 VanDerWaalsContact O-N 3.1Å; R537-R541 PolarHBondContact O-N 3.29Å
538D86.8Confident85.6Confident50 Ų5075.5 Ų75.527%0.26735%0.347SS..Hα-helixtrans-66.8-34176.2-71.8-9.4000112.5L534 G540 R541 R542L534-D538 PolarHBondContact O-N 2.96Å; D538-G540 VanDerWaalsContact C-N 3.31Å; D538-R541 PolarHBondContact O-N 2.97Å; D538-R542 WeakPolarHBondContact O-CB 3.49Å; D538-R542 WeakPolarHBondContact O-CG 3.31Å; D538-R542 PolarHBondContact O-N 3.01Å; D538-R542 PolarHBondContact O-NE 3.45Å
539R86.3Confident84.6Confident87 Ų8781 Ų8133%0.32836%0.36SS..Hα-helixtrans-61.3-41.1170.1-174.7-178.5176.5-141.2-5.8111D425 E535 L536 R537 L543D425-R539 IonicContact OD2-NH1 2.71Å; D425-R539 PolarHBondContact OD2-NH1 3.3Å; D425-R539 IonicContact OD2-NH2 2.64Å; E535-R539 PolarHBondContact O-N 3.08Å; E535-R539 VanDerWaalsContact O-N 3.08Å; L536-R539 PolarHBondContact O-N 3.02Å; R537-R539 VanDerWaalsContact C-N 3.35Å; R537-R539 PolarHBondContact O-N 3.41Å; R539-L543 HydrophobicContact CG-CD1 4.49Å; R539-L543 WeakPolarHBondContact O-CG 3.45Å; R539-L543 PolarHBondContact O-N 3.26Å
540G84Confident83.6Confident4 Ų483 Ų834%0.04137%0.365CS..Hα-helixtrans-60.9-52.8174.200000112.3L536 R537 D538 R542 L543 E544L536-G540 PolarHBondContact O-N 3.3Å; R537-G540 WeakPolarHBondContact O-CA 3.49Å; R537-G540 PolarHBondContact O-N 3.39Å; R537-G540 VanDerWaalsContact O-N 3.1Å; D538-G540 VanDerWaalsContact C-N 3.31Å; G540-R542 VanDerWaalsContact C-N 3.35Å; G540-R542 PolarHBondContact O-N 3.1Å; G540-L543 WeakPolarHBondContact O-CB 3.39Å; G540-L543 PolarHBondContact O-N 2.91Å; G540-E544 PolarHBondContact O-N 3.37Å
541R84.9Confident82.6Confident125 Ų12579 Ų7947%0.47235%0.347SS..Hα-helixtrans-57.1-44.5178.1-172.3-172.8-73.6156.2-5.1112.2R537 D538 L543 E544 E545R537-R541 PolarHBondContact O-N 3.29Å; D538-R541 PolarHBondContact O-N 2.97Å; R541-L543 VanDerWaalsContact C-N 3.28Å; R541-L543 PolarHBondContact O-N 3.42Å; R541-E544 WeakPolarHBondContact O-CB 3.22Å; R541-E544 PolarHBondContact O-N 2.89Å; R541-E544 VanDerWaalsContact O-N 3.12Å; R541-E545 WeakPolarHBondContact CD-OE1 3.28Å; R541-E545 HydrophobicContact CG-CG 4.47Å; R541-E545 WeakPolarHBondContact CG-OE1 3.41Å; R541-E545 WeakPolarHBondContact O-CG 3.38Å; R541-E545 PolarHBondContact O-N 2.91Å
542R85.6Confident81.4Confident132 Ų13278.4 Ų78.450%0.49836%0.355SS..Hα-helixtrans-63.4-29.1176.6-75.1-178-69.7-104.2-2.6113.7D538 G540 L546D538-R542 WeakPolarHBondContact O-CB 3.49Å; D538-R542 WeakPolarHBondContact O-CG 3.31Å; D538-R542 PolarHBondContact O-N 3.01Å; D538-R542 PolarHBondContact O-NE 3.45Å; G540-R542 VanDerWaalsContact C-N 3.35Å; G540-R542 PolarHBondContact O-N 3.1Å; R542-L546 WeakPolarHBondContact O-CD1 3.14Å; R542-L546 WeakPolarHBondContact O-CG 3.47Å
543L82.7Confident80.5Confident16 Ų1673.3 Ų73.38%0.08434%0.341CS..Hα-helixtrans-75.6-35.8173.1-69.7168.4000111.6L419 Q422 L423 A426 R539 G540 R541 L546L419-L543 HydrophobicContact CD1-CD2 3.88Å; Q422-L543 HydrophobicContact CB-CD1 4.2Å; Q422-L543 HydrophobicContact CB-CD2 4.42Å; L423-L543 HydrophobicContact CD2-CB 3.54Å; L423-L543 HydrophobicContact CD2-CD1 4.25Å; L423-L543 HydrophobicContact CG-CB 4.04Å; L423-L543 HydrophobicContact CG-CD1 4.43Å; A426-L543 HydrophobicContact CB-CD1 4.42Å; R539-L543 HydrophobicContact CG-CD1 4.49Å; R539-L543 WeakPolarHBondContact O-CG 3.45Å; R539-L543 PolarHBondContact O-N 3.26Å; G540-L543 WeakPolarHBondContact O-CB 3.39Å; G540-L543 PolarHBondContact O-N 2.91Å; R541-L543 VanDerWaalsContact C-N 3.28Å; R541-L543 PolarHBondContact O-N 3.42Å; L543-L546 PolarHBondContact O-N 3.35Å
544E81.9Confident79.8Confident82 Ų8279.2 Ų79.238%0.38337%0.368SS..Hα-helixtrans-66.4-43.7174.6-176171.3-151.400112.3G540 R541 L546 L547 C564G540-E544 PolarHBondContact O-N 3.37Å; R541-E544 WeakPolarHBondContact O-CB 3.22Å; R541-E544 PolarHBondContact O-N 2.89Å; R541-E544 VanDerWaalsContact O-N 3.12Å; E544-L546 PolarHBondContact O-N 3.21Å; E544-L546 VanDerWaalsContact O-N 3.13Å; E544-L547 HydrophobicContact CG-CD1 4.2Å; E544-L547 VanDerWaalsContact O-CB 3.29Å; E544-L547 WeakPolarHBondContact O-CB 3.24Å; E544-L547 WeakPolarHBondContact O-CG 3.43Å; E544-L547 PolarHBondContact O-N 2.74Å; E544-C564 HydrophobicContact CG-CB 4.28Å; E544-C564 WeakPolarHBondContact OE1-CB 3.23Å
545E84.3Confident78.8Confident115 Ų11581.8 Ų81.854%0.53738%0.378SS..THydrogen-bonded Turntrans-58.7-22.5174.1-74.1168.7-166.900113.7R541R541-E545 WeakPolarHBondContact CD-OE1 3.28Å; R541-E545 HydrophobicContact CG-CG 4.47Å; R541-E545 WeakPolarHBondContact CG-OE1 3.41Å; R541-E545 WeakPolarHBondContact O-CG 3.38Å; R541-E545 PolarHBondContact O-N 2.91Å
546L81.8Confident77.6Confident72 Ų7281.1 Ų81.138%0.37738%0.375SS..THydrogen-bonded Turntrans-85.3-15.2176.1-69.5170.3000113.3R542 L543 E544 R549 R550R542-L546 WeakPolarHBondContact O-CD1 3.14Å; R542-L546 WeakPolarHBondContact O-CG 3.47Å; L543-L546 PolarHBondContact O-N 3.35Å; E544-L546 PolarHBondContact O-N 3.21Å; E544-L546 VanDerWaalsContact O-N 3.13Å; L546-R549 PolarHBondContact O-N 3.4Å; L546-R549 VanDerWaalsContact O-N 3.09Å; L546-R550 PolarHBondContact O-N 2.91Å
547L74.8Confident76.9Confident6 Ų684.4 Ų84.43%0.03139%0.386CS..Hα-helixtrans-57.9-46.4-179.6-65.3171.2000113L419 L423 E544 R549 V551 L560L419-L547 HydrophobicContact CD2-CD2 3.83Å; L419-L547 HydrophobicContact CG-CD2 4.39Å; L423-L547 HydrophobicContact CD1-CD2 4.22Å; E544-L547 HydrophobicContact CG-CD1 4.2Å; E544-L547 VanDerWaalsContact O-CB 3.29Å; E544-L547 WeakPolarHBondContact O-CB 3.24Å; E544-L547 WeakPolarHBondContact O-CG 3.43Å; E544-L547 PolarHBondContact O-N 2.74Å; L547-R549 PolarHBondContact O-N 3.21Å; L547-R549 VanDerWaalsContact O-N 3.14Å; L547-V551 HydrophobicContact CB-CG2 4.33Å; L547-V551 HydrophobicContact CD2-CG2 3.94Å; L547-V551 VanDerWaalsContact O-CB 3.28Å; L547-V551 WeakPolarHBondContact O-CB 3.45Å; L547-V551 VanDerWaalsContact O-CG2 3.24Å; L547-V551 WeakPolarHBondContact O-CG2 3.41Å; L547-V551 PolarHBondContact O-N 3Å; L547-L560 HydrophobicContact CD1-CB 3.94Å; L547-L560 HydrophobicContact CD2-CB 3.79Å; L547-L560 HydrophobicContact CD2-CD1 3.56Å; L547-L560 HydrophobicContact CD2-CG 4.3Å
548P73.1Confident76.3Confident84 Ų8485.5 Ų85.555%0.54540%0.396SS..Hα-helixtrans-65.4-19.2178.9-20.834.6000113.8
549R71.8Confident75.6Confident217 Ų21786.9 Ų86.982%0.81941%0.406SS*.Hα-helixtrans-97.3-32.1-176.7-62-176.1-178.7-176.72.1113.5L546 L547L546-R549 PolarHBondContact O-N 3.4Å; L546-R549 VanDerWaalsContact O-N 3.09Å; L547-R549 PolarHBondContact O-N 3.21Å; L547-R549 VanDerWaalsContact O-N 3.14Å
550R69.2Low74.8Confident84 Ų8483 Ų8332%0.31739%0.392SS..Hα-helixtrans-96.9-25.4178.8-64.9-171.874.9-169.24113.6E415 L419 L546E415-R550 IonicContact OE2-CZ 3.4Å; E415-R550 IonicContact OE2-NE 3.52Å; E415-R550 PolarHBondContact OE2-NE 3.35Å; E415-R550 IonicContact OE2-NH2 2.75Å; E415-R550 PolarHBondContact OE2-NH2 3.16Å; L419-R550 HydrophobicContact CD2-CB 4.22Å; L546-R550 PolarHBondContact O-N 2.91Å
551V68.6Low74.2Confident4 Ų484 Ų842%0.02440%0.402CS..  trans-96.1109.4-178-165.50000111.4M416 L547 S553 Q556 R557 L560M416-V551 HydrophobicContact CE-CB 4.31Å; M416-V551 HydrophobicContact CE-CG1 3.58Å; M416-V551 HydrophobicContact CE-CG2 3.81Å; M416-V551 HydrophobicContact SD-CB 3.93Å; M416-V551 HydrophobicContact SD-CG1 3.72Å; M416-V551 HydrophobicContact SD-CG2 3.35Å; M416-V551 WeakPolarHBondContact SD-CG2 3.46Å; L547-V551 HydrophobicContact CB-CG2 4.33Å; L547-V551 HydrophobicContact CD2-CG2 3.94Å; L547-V551 VanDerWaalsContact O-CB 3.28Å; L547-V551 WeakPolarHBondContact O-CB 3.45Å; L547-V551 VanDerWaalsContact O-CG2 3.24Å; L547-V551 WeakPolarHBondContact O-CG2 3.41Å; L547-V551 PolarHBondContact O-N 3Å; V551-S553 WeakPolarHBondContact CG1-O 3.49Å; V551-Q556 HydrophobicContact CG1-CB 3.91Å; V551-R557 HydrophobicContact CB-CB 4.22Å; V551-R557 HydrophobicContact CB-CG 4.46Å; V551-R557 HydrophobicContact CG1-CB 4.05Å; V551-R557 PolarHBondContact O-NE 3.12Å; V551-R557 PolarHBondContact O-NH2 3.23Å; V551-L560 HydrophobicContact CG2-CD1 4.36Å
552S64.6Low73.7Confident100 Ų10083.5 Ų83.570%0.69941%0.408SS*.  trans-78.7-29.7176.355.20000113.8
553S73.4Confident73.1Confident32 Ų3279.5 Ų79.522%0.22440%0.397CS..  trans-85123.8178.4171.90000111.7V551 Q556 R557V551-S553 WeakPolarHBondContact CG1-O 3.49Å; S553-Q556 PolarHBondContact O-N 3.43Å; S553-Q556 WeakPolarHBondContact OG-CG 3.28Å; S553-R557 PolarHBondContact O-N 2.67Å
554E71.9Confident72.8Confident141 Ų14179.1 Ų79.166%0.65940%0.395SS*.Hα-helixtrans-62.5-50.4-179.5-169.5155.8-132.900112.3Q556 R557 E558E554-Q556 VanDerWaalsContact C-N 3.25Å; E554-Q556 PolarHBondContact O-N 3.39Å; E554-R557 WeakPolarHBondContact O-CA 3.11Å; E554-R557 WeakPolarHBondContact O-CB 3.27Å; E554-R557 PolarHBondContact O-N 2.75Å; E554-E558 PolarHBondContact O-N 2.61Å
555E66.7Low72.5Confident149 Ų14979.6 Ų79.670%0.69640%0.396SS*.Hα-helixtrans-53.4-40.1175.1-58.5179.1164.500112.8V559E555-V559 WeakPolarHBondContact O-CG2 3.45Å; E555-V559 PolarHBondContact O-N 3.2Å
556Q64.8Low71.9Confident83 Ų8377.7 Ų77.739%0.38839%0.392SS..Hα-helixtrans-75.7-30.4-179.4-64.1176.319.300112.1M416 V551 S553 E554 L560M416-Q556 HydrophobicContact CE-CB 3.86Å; V551-Q556 HydrophobicContact CG1-CB 3.91Å; S553-Q556 PolarHBondContact O-N 3.43Å; S553-Q556 WeakPolarHBondContact OG-CG 3.28Å; E554-Q556 VanDerWaalsContact C-N 3.25Å; E554-Q556 PolarHBondContact O-N 3.39Å; Q556-L560 PolarHBondContact O-N 3.13Å; Q556-L560 VanDerWaalsContact O-N 3.13Å
557R72.6Confident71.6Confident84 Ų8475 Ų7532%0.31738%0.377SS..Hα-helixtrans-68.1-42.3173-165.4-170.9-60.1139.41.4110.5V551 S553 E554 L560 G561V551-R557 HydrophobicContact CB-CB 4.22Å; V551-R557 HydrophobicContact CB-CG 4.46Å; V551-R557 HydrophobicContact CG1-CB 4.05Å; V551-R557 PolarHBondContact O-NE 3.12Å; V551-R557 PolarHBondContact O-NH2 3.23Å; S553-R557 PolarHBondContact O-N 2.67Å; E554-R557 WeakPolarHBondContact O-CA 3.11Å; E554-R557 WeakPolarHBondContact O-CB 3.27Å; E554-R557 PolarHBondContact O-N 2.75Å; R557-L560 PolarHBondContact O-N 3.38Å; R557-G561 PolarHBondContact O-N 3.41Å
558E72.6Confident71.7Confident128 Ų12878.3 Ų78.360%0.59839%0.392SS*.Hα-helixtrans-60.6-47.5172.5-69.4-16814200111.8E554 L560 G561 L562E554-E558 PolarHBondContact O-N 2.61Å; E558-L560 VanDerWaalsContact C-N 3.3Å; E558-L560 PolarHBondContact O-N 3.12Å; E558-G561 PolarHBondContact O-N 2.82Å; E558-L562 WeakPolarHBondContact O-CB 3.31Å; E558-L562 VanDerWaalsContact O-CG 3.28Å; E558-L562 WeakPolarHBondContact O-CG 3.49Å; E558-L562 PolarHBondContact O-N 3.1Å
559V71.4Confident71.9Confident80 Ų8078.4 Ų78.449%0.48539%0.388SS..Hα-helixtrans-60.4-36.7179.4167.30000112.6E555 L563E555-V559 WeakPolarHBondContact O-CG2 3.45Å; E555-V559 PolarHBondContact O-N 3.2Å; V559-L563 WeakPolarHBondContact O-CB 3.21Å; V559-L563 PolarHBondContact O-N 2.89Å
560L70.3Confident72Confident5 Ų570.4 Ų70.43%0.02636%0.36CS..Hα-helixtrans-78.6-37.6176.2-69.8176000112.7M416 R420 L547 V551 Q556 R557 E558 L563 C564M416-L560 HydrophobicContact CE-CD1 3.59Å; M416-L560 HydrophobicContact SD-CD1 4.46Å; R420-L560 HydrophobicContact CB-CD2 4.15Å; R420-L560 HydrophobicContact CG-CD2 4.03Å; L547-L560 HydrophobicContact CD1-CB 3.94Å; L547-L560 HydrophobicContact CD2-CB 3.79Å; L547-L560 HydrophobicContact CD2-CD1 3.56Å; L547-L560 HydrophobicContact CD2-CG 4.3Å; V551-L560 HydrophobicContact CG2-CD1 4.36Å; Q556-L560 PolarHBondContact O-N 3.13Å; Q556-L560 VanDerWaalsContact O-N 3.13Å; R557-L560 PolarHBondContact O-N 3.38Å; E558-L560 VanDerWaalsContact C-N 3.3Å; E558-L560 PolarHBondContact O-N 3.12Å; L560-L563 HydrophobicContact CD2-CD2 4.19Å; L560-L563 WeakPolarHBondContact O-CB 3.11Å; L560-L563 PolarHBondContact O-N 3.35Å; L560-C564 PolarHBondContact O-N 3.02Å; L560-C564 PolarHBondContact O-SG 3.5Å; L560-C564 VanDerWaalsContact O-SG 3.32Å
561G71.5Confident72.4Confident26 Ų2667.1 Ų67.127%0.26835%0.349SS..Hα-helixtrans-63.8-39.5172.800000112.9R557 E558 L563 C564 K565R557-G561 PolarHBondContact O-N 3.41Å; E558-G561 PolarHBondContact O-N 2.82Å; G561-L563 VanDerWaalsContact C-N 3.32Å; G561-L563 PolarHBondContact O-N 3.14Å; G561-C564 PolarHBondContact O-N 2.96Å; G561-K565 PolarHBondContact O-N 3.34Å
562L73.1Confident72.7Confident114 Ų11471.2 Ų71.260%0.59737%0.367SS*.Hα-helixtrans-63.8-37171.7-72.8170.4000111.8E558 K565 V566E558-L562 WeakPolarHBondContact O-CB 3.31Å; E558-L562 VanDerWaalsContact O-CG 3.28Å; E558-L562 WeakPolarHBondContact O-CG 3.49Å; E558-L562 PolarHBondContact O-N 3.1Å; L562-K565 PolarHBondContact O-N 3.47Å; L562-V566 WeakPolarHBondContact O-CB 3.46Å; L562-V566 VanDerWaalsContact O-CG2 3.26Å; L562-V566 WeakPolarHBondContact O-CG2 3.33Å; L562-V566 PolarHBondContact O-N 3.12Å
563L74.5Confident73.1Confident48 Ų4869.4 Ų69.425%0.25135%0.35SS..Hα-helixtrans-64.3-43174.8-176.666.7000111.6L424 F427 V559 L560 G561 H567L424-L563 HydrophobicContact CD2-CD1 4.43Å; L424-L563 HydrophobicContact CD2-CD2 4.09Å; L424-L563 HydrophobicContact CG-CD2 4.39Å; F427-L563 HydrophobicContact CE2-CG 4.25Å; V559-L563 WeakPolarHBondContact O-CB 3.21Å; V559-L563 PolarHBondContact O-N 2.89Å; L560-L563 HydrophobicContact CD2-CD2 4.19Å; L560-L563 WeakPolarHBondContact O-CB 3.11Å; L560-L563 PolarHBondContact O-N 3.35Å; G561-L563 VanDerWaalsContact C-N 3.32Å; G561-L563 PolarHBondContact O-N 3.14Å; L563-H567 WeakPolarHBondContact O-CB 3.13Å; L563-H567 PolarHBondContact O-N 3.25Å; L563-H567 VanDerWaalsContact O-N 3.16Å
564C75.6Confident73Confident7 Ų769.1 Ų69.15%0.04735%0.349CS..Hα-helixtrans-61.3-48.4173.1-62.40000111.6F427 E544 L560 G561 V566 H567 E568F427-C564 HydrophobicContact CZ-CB 4.28Å; E544-C564 HydrophobicContact CG-CB 4.28Å; E544-C564 WeakPolarHBondContact OE1-CB 3.23Å; L560-C564 PolarHBondContact O-N 3.02Å; L560-C564 PolarHBondContact O-SG 3.5Å; L560-C564 VanDerWaalsContact O-SG 3.32Å; G561-C564 PolarHBondContact O-N 2.96Å; C564-V566 PolarHBondContact O-N 2.88Å; C564-H567 PolarHBondContact O-N 2.81Å; C564-E568 PolarHBondContact O-N 3.04Å
565K75.6Confident73.1Confident93 Ų9364.7 Ų64.740%0.40433%0.329SS..Hα-helixtrans-69.2-33.9-177.1-170.565.6-158.5167.80113.5G561 L562 E568 L569G561-K565 PolarHBondContact O-N 3.34Å; L562-K565 PolarHBondContact O-N 3.47Å; K565-E568 WeakPolarHBondContact CD-OE2 3.43Å; K565-E568 IonicContact NZ-OE2 3.52Å; K565-E568 PolarHBondContact NZ-OE2 3.13Å; K565-L569 HydrophobicContact CG-CD1 4.4Å; K565-L569 VanDerWaalsContact O-CG 3.28Å; K565-L569 WeakPolarHBondContact O-CG 3.23Å; K565-L569 PolarHBondContact O-N 2.9Å; K565-L569 VanDerWaalsContact O-N 3.08Å
566V72.4Confident73.4Confident74 Ų7464.1 Ų64.145%0.44833%0.328SS..Hα-helixtrans-61.9-47.5170.7166.50000110.3L562 C564 E568 L569 E570L562-V566 WeakPolarHBondContact O-CB 3.46Å; L562-V566 VanDerWaalsContact O-CG2 3.26Å; L562-V566 WeakPolarHBondContact O-CG2 3.33Å; L562-V566 PolarHBondContact O-N 3.12Å; C564-V566 PolarHBondContact O-N 2.88Å; V566-E568 PolarHBondContact O-N 3.36Å; V566-L569 PolarHBondContact O-N 2.67Å; V566-E570 WeakPolarHBondContact O-CG 3.48Å; V566-E570 PolarHBondContact O-N 2.72Å
567H75.6Confident73.5Confident16 Ų1664.3 Ų64.37%0.07433%0.328CS..Hα-helixtrans-64.6-36.8179.2176.978000113F427 Q430 L563 C564 E570 I571F427-H567 VanDerWaalsContact CB-CE1 3.4Å; F427-H567 WeakPolarHBondContact CB-CE1 3.41Å; F427-H567 AromaticContact CD1-CD2 3.28Å; F427-H567 WeakPolarHBondContact CD1-CD2 3.17Å; F427-H567 AromaticContact CD1-CE1 3.96Å; F427-H567 AromaticContact CD1-CG 3.79Å; F427-H567 AromaticContact CD1-NE2 3.4Å; F427-H567 WeakPolarHBondContact CD1-NE2 3.31Å; F427-H567 HydrophobicContact CD2-CB 3.85Å; F427-H567 AromaticContact CD2-CG 3.67Å; F427-H567 AromaticContact CE1-CD2 3.6Å; F427-H567 HydrophobicContact CE2-CB 3.91Å; F427-H567 HydrophobicContact CG-CB 4.22Å; F427-H567 AromaticContact CG-CD2 3.53Å; F427-H567 AromaticContact CG-CE1 3.72Å; F427-H567 AromaticContact CG-CG 3.52Å; F427-H567 AromaticContact CG-ND1 3.65Å; F427-H567 AromaticContact CG-NE2 3.64Å; F427-H567 HydrophobicContact CZ-CB 4.33Å; F427-H567 PolarHBondContact O-CE1 3.44Å; Q430-H567 PolarHBondContact OE1-NE2 2.87Å; L563-H567 WeakPolarHBondContact O-CB 3.13Å; L563-H567 PolarHBondContact O-N 3.25Å; L563-H567 VanDerWaalsContact O-N 3.16Å; C564-H567 PolarHBondContact O-N 2.81Å; H567-E570 PolarHBondContact O-N 3.49Å; H567-I571 WeakPolarHBondContact NE2-CD1 3.09Å; H567-I571 PolarHBondContact O-N 3.01Å
568E77.1Confident73.4Confident75 Ų7560.8 Ų60.835%0.3532%0.316SS..Hα-helixtrans-61.9-46.9172.4-172.3176.4-131.900111.8C564 K565 V566 E570 I571 E572C564-E568 PolarHBondContact O-N 3.04Å; K565-E568 WeakPolarHBondContact CD-OE2 3.43Å; K565-E568 IonicContact NZ-OE2 3.52Å; K565-E568 PolarHBondContact NZ-OE2 3.13Å; V566-E568 PolarHBondContact O-N 3.36Å; E568-E570 PolarHBondContact O-N 3.41Å; E568-I571 PolarHBondContact O-N 2.79Å; E568-I571 VanDerWaalsContact O-N 3.13Å; E568-E572 WeakPolarHBondContact O-CG 3.39Å; E568-E572 PolarHBondContact O-N 3.36Å
569L75.9Confident73.3Confident86 Ų8659.5 Ų59.545%0.4531%0.31SS..Hα-helixtrans-63-29.2175.7-70167.7000112.7K565 V566 N573K565-L569 HydrophobicContact CG-CD1 4.4Å; K565-L569 VanDerWaalsContact O-CG 3.28Å; K565-L569 WeakPolarHBondContact O-CG 3.23Å; K565-L569 PolarHBondContact O-N 2.9Å; K565-L569 VanDerWaalsContact O-N 3.08Å; V566-L569 PolarHBondContact O-N 2.67Å; L569-N573 WeakPolarHBondContact O-CB 3.37Å; L569-N573 PolarHBondContact O-N 3.16Å
570E74.8Confident73.1Confident49 Ų4958.4 Ų58.423%0.22931%0.309CS..Hα-helixtrans-71.9-36.8173.8-72.5178.9-179.900112.6Y364 M431 V566 H567 E568 A574Y364-E570 WeakPolarHBondContact CE1-OE1 3.08Å; Y364-E570 WeakPolarHBondContact OH-CG 3.49Å; Y364-E570 PolarHBondContact OH-OE1 3.14Å; M431-E570 HydrophobicContact CE-CB 3.57Å; V566-E570 WeakPolarHBondContact O-CG 3.48Å; V566-E570 PolarHBondContact O-N 2.72Å; H567-E570 PolarHBondContact O-N 3.49Å; E568-E570 PolarHBondContact O-N 3.41Å; E570-A574 WeakPolarHBondContact O-CB 3.17Å; E570-A574 PolarHBondContact O-N 3.11Å
571I76.3Confident72.9Confident16 Ų1663.2 Ų63.28%0.08234%0.335CS..Hα-helixtrans-64.7-50.8170.9-69174.7000110.2M431 F533 H567 E568 N573 A574 E575M431-I571 HydrophobicContact CE-CG1 3.77Å; F533-I571 HydrophobicContact CZ-CD1 4.26Å; F533-I571 HydrophobicContact CZ-CG2 4.07Å; H567-I571 WeakPolarHBondContact NE2-CD1 3.09Å; H567-I571 PolarHBondContact O-N 3.01Å; E568-I571 PolarHBondContact O-N 2.79Å; E568-I571 VanDerWaalsContact O-N 3.13Å; I571-N573 VanDerWaalsContact C-N 3.28Å; I571-N573 PolarHBondContact O-N 3.1Å; I571-A574 PolarHBondContact O-N 2.99Å; I571-A574 VanDerWaalsContact O-N 3.17Å; I571-E575 HydrophobicContact CG2-CG 4.46Å; I571-E575 WeakPolarHBondContact CG2-OE1 3.33Å; I571-E575 WeakPolarHBondContact O-CB 3.17Å; I571-E575 PolarHBondContact O-N 3.4Å
572E76Confident72.6Confident89 Ų8964.5 Ų64.542%0.41634%0.335SS..Hα-helixtrans-56.6-42179-72177.9-174.300111.8E568 E575 M576E568-E572 WeakPolarHBondContact O-CG 3.39Å; E568-E572 PolarHBondContact O-N 3.36Å; E572-E575 PolarHBondContact O-N 3.41Å; E572-M576 WeakPolarHBondContact O-CB 3.36Å; E572-M576 PolarHBondContact O-N 3.24Å
573N73.4Confident72.5Confident63 Ų6365.6 Ų65.634%0.33734%0.335SS..Hα-helixtrans-67.8-43.3177.4-174.212.5000112H360 L569 I571 E575 M576 Q577H360-N573 PolarHBondContact CE1-ND2 3.45Å; L569-N573 WeakPolarHBondContact O-CB 3.37Å; L569-N573 PolarHBondContact O-N 3.16Å; I571-N573 VanDerWaalsContact C-N 3.28Å; I571-N573 PolarHBondContact O-N 3.1Å; N573-E575 VanDerWaalsContact C-N 3.32Å; N573-E575 PolarHBondContact O-N 3.29Å; N573-M576 PolarHBondContact O-N 3.06Å; N573-Q577 WeakPolarHBondContact O-CB 3.04Å; N573-Q577 VanDerWaalsContact O-CG 3.28Å; N573-Q577 WeakPolarHBondContact O-CG 3.45Å; N573-Q577 PolarHBondContact O-N 2.86Å; N573-Q577 PolarHBondContact OD1-NE2 2.6Å
574A71.4Confident72.1Confident25 Ų2566.4 Ų66.421%0.20734%0.34CS..Hα-helixtrans-64.8-35.4175.400000112.5E570 I571 S578E570-A574 WeakPolarHBondContact O-CB 3.17Å; E570-A574 PolarHBondContact O-N 3.11Å; I571-A574 PolarHBondContact O-N 2.99Å; I571-A574 VanDerWaalsContact O-N 3.17Å; A574-S578 PolarHBondContact O-N 2.85Å
575E74.3Confident71.4Confident49 Ų4968.1 Ų68.123%0.22935%0.348CS..Hα-helixtrans-66-47.7172.9-82.5171.9-175.600111.7R434 I571 E572 N573 Q577 S578 H579R434-E575 IonicContact CZ-OE1 3.92Å; R434-E575 IonicContact NE-OE1 2.69Å; R434-E575 IonicContact NH1-OE1 3.43Å; R434-E575 PolarHBondContact NH1-OE1 3.09Å; I571-E575 HydrophobicContact CG2-CG 4.46Å; I571-E575 WeakPolarHBondContact CG2-OE1 3.33Å; I571-E575 WeakPolarHBondContact O-CB 3.17Å; I571-E575 PolarHBondContact O-N 3.4Å; E572-E575 PolarHBondContact O-N 3.41Å; N573-E575 VanDerWaalsContact C-N 3.32Å; N573-E575 PolarHBondContact O-N 3.29Å; E575-Q577 VanDerWaalsContact C-N 3.3Å; E575-Q577 PolarHBondContact O-N 3.37Å; E575-S578 PolarHBondContact O-N 2.81Å; E575-H579 PolarHBondContact O-CD2 3.41Å; E575-H579 VanDerWaalsContact O-CD2 3.24Å; E575-H579 PolarHBondContact O-N 3.05Å
576M72.6Confident71.1Confident137 Ų13766.6 Ų66.668%0.67535%0.347SS*.Hα-helixtrans-60.2-39.3175.9-165.7-178.3-56.700112E572 N573 A580E572-M576 WeakPolarHBondContact O-CB 3.36Å; E572-M576 PolarHBondContact O-N 3.24Å; N573-M576 PolarHBondContact O-N 3.06Å; M576-A580 WeakPolarHBondContact O-CB 3.33Å; M576-A580 PolarHBondContact O-N 3Å
577Q66.9Low70.9Confident86 Ų8667.3 Ų67.340%0.40235%0.347SS..Hα-helixtrans-66.3-44.9176-72.8177.541.800112.6H360 N573 E575 A580 L581H360-Q577 PolarHBondContact NE2-NE2 3.16Å; N573-Q577 WeakPolarHBondContact O-CB 3.04Å; N573-Q577 VanDerWaalsContact O-CG 3.28Å; N573-Q577 WeakPolarHBondContact O-CG 3.45Å; N573-Q577 PolarHBondContact O-N 2.86Å; N573-Q577 PolarHBondContact OD1-NE2 2.6Å; E575-Q577 VanDerWaalsContact C-N 3.3Å; E575-Q577 PolarHBondContact O-N 3.37Å; Q577-A580 PolarHBondContact O-N 3.37Å; Q577-L581 WeakPolarHBondContact O-CG 3.5Å; Q577-L581 PolarHBondContact O-N 3.11Å; Q577-L581 VanDerWaalsContact O-N 3.11Å
578S69.4Low70.4Confident10 Ų1074.3 Ų74.37%0.0737%0.373CS..Hα-helixtrans-63-46.3175.5-165.10000111.3E441 A574 E575 A580 L581 I582E441-S578 PolarHBondContact OE2-OG 3.47Å; A574-S578 PolarHBondContact O-N 2.85Å; E575-S578 PolarHBondContact O-N 2.81Å; S578-A580 VanDerWaalsContact C-N 3.27Å; S578-A580 PolarHBondContact O-N 3.19Å; S578-L581 PolarHBondContact O-N 2.9Å; S578-L581 VanDerWaalsContact O-N 3.15Å; S578-I582 WeakPolarHBondContact O-CG1 3.19Å; S578-I582 PolarHBondContact O-N 3.46Å
579H71.1Confident69.6Low102 Ų10275.1 Ų75.147%0.47238%0.377SS..Hα-helixtrans-62-32.1177.1-79.4-60.4000113.5E575 K583E575-H579 PolarHBondContact O-CD2 3.41Å; E575-H579 VanDerWaalsContact O-CD2 3.24Å; E575-H579 PolarHBondContact O-N 3.05Å; H579-K583 WeakPolarHBondContact O-CB 3.43Å; H579-K583 WeakPolarHBondContact O-CD 3.45Å; H579-K583 WeakPolarHBondContact O-CG 3.37Å; H579-K583 PolarHBondContact O-N 2.63Å; H579-K583 VanDerWaalsContact O-N 3.08Å
580A68Low69.1Low56 Ų5676.7 Ų76.746%0.46338%0.38SS..Hα-helixtrans-67.2-44.9173.600000111.9M576 Q577 S578 K583 D584M576-A580 WeakPolarHBondContact O-CB 3.33Å; M576-A580 PolarHBondContact O-N 3Å; Q577-A580 PolarHBondContact O-N 3.37Å; S578-A580 VanDerWaalsContact C-N 3.27Å; S578-A580 PolarHBondContact O-N 3.19Å; A580-K583 PolarHBondContact O-N 3.36Å; A580-D584 WeakPolarHBondContact O-CB 3.47Å; A580-D584 PolarHBondContact O-N 2.96Å
581L65Low68.6Low107 Ų10778.9 Ų78.956%0.5639%0.393SS*.Hα-helixtrans-63.9-43.7177.8-69.2169.7000112.3Q577 S578 D584 N585Q577-L581 WeakPolarHBondContact O-CG 3.5Å; Q577-L581 PolarHBondContact O-N 3.11Å; Q577-L581 VanDerWaalsContact O-N 3.11Å; S578-L581 PolarHBondContact O-N 2.9Å; S578-L581 VanDerWaalsContact O-N 3.15Å; L581-D584 PolarHBondContact O-N 3.01Å; L581-N585 PolarHBondContact O-N 2.9Å
582I66.3Low67.7Low52 Ų5284.3 Ų84.327%0.26742%0.416SS..Hα-helixtrans-62.5-44.1176.6-65.9165.7000110.5M445 S578 N585 V586M445-I582 HydrophobicContact CE-CG1 4.08Å; S578-I582 WeakPolarHBondContact O-CG1 3.19Å; S578-I582 PolarHBondContact O-N 3.46Å; I582-N585 PolarHBondContact O-N 2.9Å; I582-V586 WeakPolarHBondContact O-CG2 3.4Å; I582-V586 PolarHBondContact O-N 2.98Å; I582-V586 VanDerWaalsContact O-N 3.09Å
583K69.8Low67.2Low138 Ų13883.7 Ų83.760%0.642%0.418SS*.Hα-helixtrans-63.6-43.6176.7-76.8171.9-178.8175.20112.1H579 A580 N585 V586 I587H579-K583 WeakPolarHBondContact O-CB 3.43Å; H579-K583 WeakPolarHBondContact O-CD 3.45Å; H579-K583 WeakPolarHBondContact O-CG 3.37Å; H579-K583 PolarHBondContact O-N 2.63Å; H579-K583 VanDerWaalsContact O-N 3.08Å; A580-K583 PolarHBondContact O-N 3.36Å; K583-N585 PolarHBondContact O-N 3.19Å; K583-V586 PolarHBondContact O-N 3.25Å; K583-I587 WeakPolarHBondContact O-CB 3.3Å; K583-I587 WeakPolarHBondContact O-CD1 3.36Å; K583-I587 WeakPolarHBondContact O-CG1 3.41Å; K583-I587 PolarHBondContact O-N 3.03Å
584D66.6Low66.8Low65 Ų6584.1 Ų84.135%0.34842%0.423SS..Hα-helixtrans-62.5-40.6177.6-174.258.4000111.9A580 L581 I587 R588A580-D584 WeakPolarHBondContact O-CB 3.47Å; A580-D584 PolarHBondContact O-N 2.96Å; L581-D584 PolarHBondContact O-N 3.01Å; D584-I587 PolarHBondContact O-N 2.92Å; D584-R588 VanDerWaalsContact O-CG 3.3Å; D584-R588 WeakPolarHBondContact O-CG 3.21Å; D584-R588 PolarHBondContact O-N 3.15Å; D584-R588 IonicContact OD1-NE 3.15Å; D584-R588 IonicContact OD1-NH2 3.67Å; D584-R588 IonicContact OD2-CZ 3.52Å; D584-R588 IonicContact OD2-NE 3.37Å; D584-R588 PolarHBondContact OD2-NE 3.48Å; D584-R588 IonicContact OD2-NH2 3.51Å; D584-R588 PolarHBondContact OD2-NH2 3.26Å
585N61.4Low66.2Low43 Ų4387.8 Ų87.823%0.2344%0.436CS..Hα-helixtrans-62.9-48175.1-170.3-79000112.3M445 L581 I582 K583 I587 R588 Q589M445-N585 HydrophobicContact CE-CB 3.98Å; M445-N585 HydrophobicContact SD-CB 3.75Å; M445-N585 PolarHBondContact SD-ND2 3.28Å; L581-N585 PolarHBondContact O-N 2.9Å; I582-N585 PolarHBondContact O-N 2.9Å; K583-N585 PolarHBondContact O-N 3.19Å; N585-I587 VanDerWaalsContact C-N 3.27Å; N585-I587 PolarHBondContact O-N 3.14Å; N585-R588 WeakPolarHBondContact O-CB 3.07Å; N585-R588 PolarHBondContact O-N 3Å; N585-R588 VanDerWaalsContact O-N 3.14Å; N585-Q589 PolarHBondContact O-N 2.89Å
586V69.4Low65.8Low61 Ų6192 Ų9237%0.3745%0.449SS..Hα-helixtrans-61.2-36.7176.6172.30000111.6I582 K583 K590I582-V586 WeakPolarHBondContact O-CG2 3.4Å; I582-V586 PolarHBondContact O-N 2.98Å; I582-V586 VanDerWaalsContact O-N 3.09Å; K583-V586 PolarHBondContact O-N 3.25Å; V586-K590 HydrophobicContact CG1-CD 4.38Å; V586-K590 WeakPolarHBondContact O-CB 3.39Å; V586-K590 WeakPolarHBondContact O-CG 3.42Å; V586-K590 PolarHBondContact O-N 3.38Å
587I68.3Low65.5Low89 Ų8992 Ų9246%0.45645%0.446SS..Hα-helixtrans-64.9-47173.9-71.5164.1000110.5K583 D584 N585 Q589 K590 N591K583-I587 WeakPolarHBondContact O-CB 3.3Å; K583-I587 WeakPolarHBondContact O-CD1 3.36Å; K583-I587 WeakPolarHBondContact O-CG1 3.41Å; K583-I587 PolarHBondContact O-N 3.03Å; D584-I587 PolarHBondContact O-N 2.92Å; N585-I587 VanDerWaalsContact C-N 3.27Å; N585-I587 PolarHBondContact O-N 3.14Å; I587-Q589 VanDerWaalsContact C-N 3.35Å; I587-Q589 PolarHBondContact O-N 3.33Å; I587-K590 PolarHBondContact O-N 2.99Å; I587-N591 WeakPolarHBondContact O-CB 3.43Å; I587-N591 PolarHBondContact O-N 3.06Å; I587-N591 PolarHBondContact O-OD1 3.34Å
588R64.2Low65.5Low163 Ų16392.6 Ų92.662%0.61545%0.449SS*.Hα-helixtrans-58.1-44.4175.7-69.4169.1-166.7-110.60.8112.3D584 N585 N591 F592D584-R588 VanDerWaalsContact O-CG 3.3Å; D584-R588 WeakPolarHBondContact O-CG 3.21Å; D584-R588 PolarHBondContact O-N 3.15Å; D584-R588 IonicContact OD1-NE 3.15Å; D584-R588 IonicContact OD1-NH2 3.67Å; D584-R588 IonicContact OD2-CZ 3.52Å; D584-R588 IonicContact OD2-NE 3.37Å; D584-R588 PolarHBondContact OD2-NE 3.48Å; D584-R588 IonicContact OD2-NH2 3.51Å; D584-R588 PolarHBondContact OD2-NH2 3.26Å; N585-R588 WeakPolarHBondContact O-CB 3.07Å; N585-R588 PolarHBondContact O-N 3Å; N585-R588 VanDerWaalsContact O-N 3.14Å; R588-N591 PolarHBondContact O-N 3.44Å; R588-F592 PolarHBondContact O-N 3.29Å
589Q60.8Low65.3Low92 Ų9297.6 Ų97.643%0.4347%0.471SS..Hα-helixtrans-62.7-45.1178.6-166.7-173.626.400111.5N585 I587 F592 V593N585-Q589 PolarHBondContact O-N 2.89Å; I587-Q589 VanDerWaalsContact C-N 3.35Å; I587-Q589 PolarHBondContact O-N 3.33Å; Q589-F592 PolarHBondContact O-N 2.78Å; Q589-V593 PolarHBondContact O-N 3.08Å
590K65.5Low65.1Low119 Ų11998.3 Ų98.352%0.51747%0.474SS..Hα-helixtrans-64.3-41.2174.8-73.2-175.7177.6-168.40112V586 I587 F592 V593 V594V586-K590 HydrophobicContact CG1-CD 4.38Å; V586-K590 WeakPolarHBondContact O-CB 3.39Å; V586-K590 WeakPolarHBondContact O-CG 3.42Å; V586-K590 PolarHBondContact O-N 3.38Å; I587-K590 PolarHBondContact O-N 2.99Å; K590-F592 VanDerWaalsContact C-N 3.35Å; K590-F592 PolarHBondContact O-N 2.93Å; K590-V593 PolarHBondContact O-N 3.23Å; K590-V594 WeakPolarHBondContact O-CG2 3.38Å; K590-V594 PolarHBondContact O-N 2.93Å
591N63.2Low65.4Low94 Ų94101.7 Ų101.750%0.50348%0.475SS..Hα-helixtrans-62.6-38.3178.8-70.8-4.6000112.3I587 R588 V593 V594 Q595I587-N591 WeakPolarHBondContact O-CB 3.43Å; I587-N591 PolarHBondContact O-N 3.06Å; I587-N591 PolarHBondContact O-OD1 3.34Å; R588-N591 PolarHBondContact O-N 3.44Å; N591-V593 PolarHBondContact O-N 3.11Å; N591-V594 PolarHBondContact O-N 3.01Å; N591-Q595 VanDerWaalsContact O-CB 3.26Å; N591-Q595 WeakPolarHBondContact O-CB 3.34Å; N591-Q595 PolarHBondContact O-N 3.4Å
592F59.1Low65.9Low131 Ų131101.1 Ų101.158%0.57547%0.47SS*.Hα-helixtrans-62.3-41.2174.7-179.6-100.1000112.4R588 Q589 K590 Q595 R596R588-F592 PolarHBondContact O-N 3.29Å; Q589-F592 PolarHBondContact O-N 2.78Å; K590-F592 VanDerWaalsContact C-N 3.35Å; K590-F592 PolarHBondContact O-N 2.93Å; F592-Q595 PolarHBondContact O-N 3.04Å; F592-R596 PolarHBondContact O-N 3.28Å
593V64.6Low66.3Low75 Ų75103.2 Ų103.246%0.45548%0.481SS..Hα-helixtrans-65.4-46.4175.6175.90000110.8Q589 K590 N591 Q595 R596 F597Q589-V593 PolarHBondContact O-N 3.08Å; K590-V593 PolarHBondContact O-N 3.23Å; N591-V593 PolarHBondContact O-N 3.11Å; V593-Q595 PolarHBondContact O-N 3.04Å; V593-R596 PolarHBondContact O-N 3.33Å; V593-F597 HydrophobicContact CG1-CD2 3.84Å; V593-F597 HydrophobicContact CG1-CE2 3.74Å; V593-F597 VanDerWaalsContact O-CD2 3.29Å; V593-F597 WeakPolarHBondContact O-CD2 3.45Å; V593-F597 PolarHBondContact O-N 3.16Å
594V64.3Low66.7Low72 Ų7298.9 Ų98.944%0.43647%0.467SS..Hα-helixtrans-58-48175.41710000110.9K590 N591 R596 F597 E598K590-V594 WeakPolarHBondContact O-CG2 3.38Å; K590-V594 PolarHBondContact O-N 2.93Å; N591-V594 PolarHBondContact O-N 3.01Å; V594-R596 VanDerWaalsContact C-N 3.33Å; V594-R596 PolarHBondContact O-N 3.46Å; V594-F597 CarbonylContact O-C 3.59Å; V594-F597 WeakPolarHBondContact O-CA 3.32Å; V594-F597 WeakPolarHBondContact O-CB 3.34Å; V594-F597 PolarHBondContact O-N 2.79Å; V594-E598 HydrophobicContact CG1-CG 4.23Å; V594-E598 WeakPolarHBondContact O-CG 3.38Å; V594-E598 PolarHBondContact O-N 3.36Å
595Q60.5Low67.3Low103 Ų10396.6 Ų96.648%0.48146%0.455SS..Hα-helixtrans-59.3-40.4179-172.5179.625.400112.2N591 F592 V593 E598 Q599N591-Q595 VanDerWaalsContact O-CB 3.26Å; N591-Q595 WeakPolarHBondContact O-CB 3.34Å; N591-Q595 PolarHBondContact O-N 3.4Å; F592-Q595 PolarHBondContact O-N 3.04Å; V593-Q595 PolarHBondContact O-N 3.04Å; Q595-E598 PolarHBondContact O-N 2.9Å; Q595-Q599 WeakPolarHBondContact O-CB 3.44Å; Q595-Q599 VanDerWaalsContact O-CG 3.25Å; Q595-Q599 WeakPolarHBondContact O-CG 3.45Å; Q595-Q599 PolarHBondContact O-N 3.26Å
596R64.8Low68.4Low136 Ų13699.9 Ų99.951%0.51347%0.469SS..Hα-helixtrans-68.2-34.5175.3-174.6167.7172.1157-9.6112.3F592 V593 V594 H600F592-R596 PolarHBondContact O-N 3.28Å; V593-R596 PolarHBondContact O-N 3.33Å; V594-R596 VanDerWaalsContact C-N 3.33Å; V594-R596 PolarHBondContact O-N 3.46Å; R596-H600 WeakPolarHBondContact O-CB 3.35Å; R596-H600 PolarHBondContact O-N 2.86Å
597F65.4Low69.1Low138 Ų138100.5 Ų100.561%0.60547%0.469SS*.Hα-helixtrans-68.9-40.5171.3-85-69.1000112.5V593 V594 H600 R601V593-F597 HydrophobicContact CG1-CD2 3.84Å; V593-F597 HydrophobicContact CG1-CE2 3.74Å; V593-F597 VanDerWaalsContact O-CD2 3.29Å; V593-F597 WeakPolarHBondContact O-CD2 3.45Å; V593-F597 PolarHBondContact O-N 3.16Å; V594-F597 CarbonylContact O-C 3.59Å; V594-F597 WeakPolarHBondContact O-CA 3.32Å; V594-F597 WeakPolarHBondContact O-CB 3.34Å; V594-F597 PolarHBondContact O-N 2.79Å; F597-H600 PolarHBondContact O-N 3.36Å; F597-R601 WeakPolarHBondContact O-CB 3.27Å; F597-R601 PolarHBondContact O-N 2.61Å
598E67.4Low69.9Low98 Ų9897.9 Ų97.946%0.45846%0.456SS..Hα-helixtrans-65-43.9176.2-72.3176.4153.900111.6V594 Q595 R601 H602V594-E598 HydrophobicContact CG1-CG 4.23Å; V594-E598 WeakPolarHBondContact O-CG 3.38Å; V594-E598 PolarHBondContact O-N 3.36Å; Q595-E598 PolarHBondContact O-N 2.9Å; E598-R601 PolarHBondContact O-N 3.31Å; E598-H602 WeakPolarHBondContact O-CB 2.92Å; E598-H602 PolarHBondContact O-CD2 2.96Å; E598-H602 PolarHBondContact O-N 2.94Å
599Q64.7Low70.9Confident116 Ų11696 Ų9654%0.54245%0.454SS..Hα-helixtrans-59.6-46.4172.4-75.6171.1-800112Q595 R601 H602 L603Q595-Q599 WeakPolarHBondContact O-CB 3.44Å; Q595-Q599 VanDerWaalsContact O-CG 3.25Å; Q595-Q599 WeakPolarHBondContact O-CG 3.45Å; Q595-Q599 PolarHBondContact O-N 3.26Å; Q599-R601 VanDerWaalsContact C-N 3.35Å; Q599-R601 PolarHBondContact O-N 2.96Å; Q599-H602 PolarHBondContact O-N 2.67Å; Q599-L603 PolarHBondContact O-N 3.32Å
600H68.8Low72Confident116 Ų11697.5 Ų97.554%0.53746%0.461SS..Hα-helixtrans-63.7-41.7178.4-177.926.1000111.7R596 F597 L603 C604R596-H600 WeakPolarHBondContact O-CB 3.35Å; R596-H600 PolarHBondContact O-N 2.86Å; F597-H600 PolarHBondContact O-N 3.36Å; H600-L603 PolarHBondContact O-N 2.69Å; H600-C604 VanDerWaalsContact CE1-SG 3.57Å; H600-C604 PolarHBondContact O-N 3.01Å; H600-C604 VanDerWaalsContact O-N 3.08Å; H600-C604 PolarHBondContact O-SG 3.16Å
601R72.4Confident73Confident128 Ų12896.3 Ų96.348%0.48346%0.457SS..Hα-helixtrans-61.3-52174.5-172.4-175.766.3147.30.4110.7F597 E598 Q599 L603 C604 D605F597-R601 WeakPolarHBondContact O-CB 3.27Å; F597-R601 PolarHBondContact O-N 2.61Å; E598-R601 PolarHBondContact O-N 3.31Å; Q599-R601 VanDerWaalsContact C-N 3.35Å; Q599-R601 PolarHBondContact O-N 2.96Å; R601-L603 VanDerWaalsContact C-N 3.27Å; R601-L603 PolarHBondContact O-N 2.67Å; R601-C604 CarbonylContact O-C 3.51Å; R601-C604 WeakPolarHBondContact O-CA 3.42Å; R601-C604 WeakPolarHBondContact O-CB 3.27Å; R601-C604 PolarHBondContact O-N 2.76Å; R601-D605 WeakPolarHBondContact CG-OD1 3.15Å; R601-D605 PolarHBondContact O-N 2.77Å; R601-D605 VanDerWaalsContact O-OD1 3.06Å
602H76Confident73.9Confident95 Ų9595.8 Ų95.844%0.4445%0.449SS..Hα-helixtrans-56.8-38.4179.1-77.2-48.7000113.3E598 Q599 D605 E606E598-H602 WeakPolarHBondContact O-CB 2.92Å; E598-H602 PolarHBondContact O-CD2 2.96Å; E598-H602 PolarHBondContact O-N 2.94Å; Q599-H602 PolarHBondContact O-N 2.67Å; H602-D605 IonicContact ND1-OD2 2.89Å; H602-D605 PolarHBondContact ND1-OD2 3.1Å; H602-D605 PolarHBondContact O-N 2.84Å; H602-E606 WeakPolarHBondContact O-CG 3.41Å; H602-E606 PolarHBondContact O-N 3.17Å
603L75.4Confident75.1Confident95 Ų9594.8 Ų94.850%0.49745%0.445SS..Hα-helixtrans-64.7-40.1173.3-178.662.9000112.3Q599 H600 R601 I607Q599-L603 PolarHBondContact O-N 3.32Å; H600-L603 PolarHBondContact O-N 2.69Å; R601-L603 VanDerWaalsContact C-N 3.27Å; R601-L603 PolarHBondContact O-N 2.67Å; L603-I607 HydrophobicContact CD1-CD1 4.13Å; L603-I607 HydrophobicContact CD1-CG1 4.48Å; L603-I607 HydrophobicContact CG-CD1 3.97Å; L603-I607 WeakPolarHBondContact O-CB 3.49Å; L603-I607 WeakPolarHBondContact O-CD1 3.33Å; L603-I607 WeakPolarHBondContact O-CG1 3.4Å; L603-I607 PolarHBondContact O-N 3.01Å
604C77Confident76.1Confident48 Ų4896.5 Ų96.532%0.32445%0.447SS..Hα-helixtrans-65.2-39.5172.1-69.70000112H600 R601 I607 I608H600-C604 VanDerWaalsContact CE1-SG 3.57Å; H600-C604 PolarHBondContact O-N 3.01Å; H600-C604 VanDerWaalsContact O-N 3.08Å; H600-C604 PolarHBondContact O-SG 3.16Å; R601-C604 CarbonylContact O-C 3.51Å; R601-C604 WeakPolarHBondContact O-CA 3.42Å; R601-C604 WeakPolarHBondContact O-CB 3.27Å; R601-C604 PolarHBondContact O-N 2.76Å; C604-I607 PolarHBondContact O-N 3.04Å; C604-I608 WeakPolarHBondContact O-CB 3.43Å; C604-I608 VanDerWaalsContact O-CG1 3.28Å; C604-I608 WeakPolarHBondContact O-CG1 3.28Å; C604-I608 PolarHBondContact O-N 3.09Å
605D80.9Confident77.1Confident16 Ų1694.2 Ų94.29%0.08643%0.432CS..Hα-helixtrans-62.4-46.3178-53.2-20000110.7R601 H602 I608 Q609 Y633R601-D605 WeakPolarHBondContact CG-OD1 3.15Å; R601-D605 PolarHBondContact O-N 2.77Å; R601-D605 VanDerWaalsContact O-OD1 3.06Å; H602-D605 IonicContact ND1-OD2 2.89Å; H602-D605 PolarHBondContact ND1-OD2 3.1Å; H602-D605 PolarHBondContact O-N 2.84Å; D605-I608 PolarHBondContact O-N 3.34Å; D605-Q609 WeakPolarHBondContact O-CB 3.3Å; D605-Q609 VanDerWaalsContact O-CG 3.27Å; D605-Q609 WeakPolarHBondContact O-CG 3.22Å; D605-Q609 PolarHBondContact O-N 2.95Å; D605-Y633 VanDerWaalsContact CA-OH 3.28Å; D605-Y633 WeakPolarHBondContact CA-OH 3.38Å; D605-Y633 WeakPolarHBondContact CB-OH 3.28Å; D605-Y633 PolarHBondContact OD1-OH 3.29Å
606E83.4Confident78.1Confident113 Ų11393.6 Ų93.653%0.52843%0.432SS..Hα-helixtrans-63.2-45175.3-74.8-174147.400112.2H602 I608 Q609 Q610H602-E606 WeakPolarHBondContact O-CG 3.41Å; H602-E606 PolarHBondContact O-N 3.17Å; E606-I608 VanDerWaalsContact C-N 3.35Å; E606-I608 PolarHBondContact O-N 3.45Å; E606-Q609 PolarHBondContact O-N 3.46Å; E606-Q610 WeakPolarHBondContact O-CB 3.36Å; E606-Q610 WeakPolarHBondContact O-CG 3.48Å; E606-Q610 PolarHBondContact O-N 2.93Å
607I84.6Confident79.1Confident73 Ų7392.9 Ų92.937%0.37444%0.435SS..Hα-helixtrans-61.2-43.4177.7-72.2166.3000110.9L603 C604 Q611L603-I607 HydrophobicContact CD1-CD1 4.13Å; L603-I607 HydrophobicContact CD1-CG1 4.48Å; L603-I607 HydrophobicContact CG-CD1 3.97Å; L603-I607 WeakPolarHBondContact O-CB 3.49Å; L603-I607 WeakPolarHBondContact O-CD1 3.33Å; L603-I607 WeakPolarHBondContact O-CG1 3.4Å; L603-I607 PolarHBondContact O-N 3.01Å; C604-I607 PolarHBondContact O-N 3.04Å; I607-Q611 HydrophobicContact CG2-CG 4.46Å; I607-Q611 WeakPolarHBondContact O-CB 3.28Å; I607-Q611 VanDerWaalsContact O-CG 3.22Å; I607-Q611 WeakPolarHBondContact O-CG 3.48Å; I607-Q611 PolarHBondContact O-N 2.72Å
608I85.4Confident80Confident34 Ų3491.3 Ų91.317%0.17443%0.429CS..Hα-helixtrans-67.1-41.4178.5-71.9166.3000110.9C604 D605 E606 Q611 R612 Y630 Y633C604-I608 WeakPolarHBondContact O-CB 3.43Å; C604-I608 VanDerWaalsContact O-CG1 3.28Å; C604-I608 WeakPolarHBondContact O-CG1 3.28Å; C604-I608 PolarHBondContact O-N 3.09Å; D605-I608 PolarHBondContact O-N 3.34Å; E606-I608 VanDerWaalsContact C-N 3.35Å; E606-I608 PolarHBondContact O-N 3.45Å; I608-Q611 PolarHBondContact O-N 2.87Å; I608-R612 WeakPolarHBondContact O-CG 3.26Å; I608-R612 PolarHBondContact O-N 3.32Å; I608-Y630 HydrophobicContact CG2-CD1 3.88Å; I608-Y630 HydrophobicContact CG2-CE1 3.86Å; I608-Y633 HydrophobicContact CB-CE1 4.3Å; I608-Y633 HydrophobicContact CD1-CD1 4.26Å; I608-Y633 HydrophobicContact CD1-CD2 3.87Å; I608-Y633 HydrophobicContact CD1-CE1 4.11Å; I608-Y633 HydrophobicContact CD1-CE2 3.69Å; I608-Y633 HydrophobicContact CD1-CG 4.15Å; I608-Y633 HydrophobicContact CG2-CD1 3.91Å; I608-Y633 HydrophobicContact CG2-CE1 3.62Å
609Q83.6Confident80.8Confident124 Ų12491.8 Ų91.858%0.57944%0.443SS*.Hα-helixtrans-64-45.7176.2-74176.225.800112D605 E606 R612 Q613D605-Q609 WeakPolarHBondContact O-CB 3.3Å; D605-Q609 VanDerWaalsContact O-CG 3.27Å; D605-Q609 WeakPolarHBondContact O-CG 3.22Å; D605-Q609 PolarHBondContact O-N 2.95Å; E606-Q609 PolarHBondContact O-N 3.46Å; Q609-R612 PolarHBondContact O-N 3.45Å; Q609-Q613 WeakPolarHBondContact O-CB 3.36Å; Q609-Q613 PolarHBondContact O-N 2.93Å
610Q85.8Confident81.6Confident124 Ų12490.6 Ų90.658%0.57944%0.44SS*.Hα-helixtrans-64.6-40.2177-71.9176.816.200112.4E606 Q613 F614E606-Q610 WeakPolarHBondContact O-CB 3.36Å; E606-Q610 WeakPolarHBondContact O-CG 3.48Å; E606-Q610 PolarHBondContact O-N 2.93Å; Q610-Q613 PolarHBondContact O-N 2.91Å; Q610-F614 VanDerWaalsContact O-CB 3.3Å; Q610-F614 WeakPolarHBondContact O-CB 3.26Å; Q610-F614 PolarHBondContact O-N 2.95Å
611Q86.6Confident82Confident93 Ų9393.3 Ų93.344%0.43546%0.458SS..Hα-helixtrans-60.8-46.9174.3-78.1174.55.500111.7I607 I608 F614 I615 Y630I607-Q611 HydrophobicContact CG2-CG 4.46Å; I607-Q611 WeakPolarHBondContact O-CB 3.28Å; I607-Q611 VanDerWaalsContact O-CG 3.22Å; I607-Q611 WeakPolarHBondContact O-CG 3.48Å; I607-Q611 PolarHBondContact O-N 2.72Å; I608-Q611 PolarHBondContact O-N 2.87Å; Q611-F614 PolarHBondContact O-N 3.39Å; Q611-I615 WeakPolarHBondContact O-CB 3.28Å; Q611-I615 WeakPolarHBondContact O-CD1 3.42Å; Q611-I615 VanDerWaalsContact O-CG1 3.24Å; Q611-I615 WeakPolarHBondContact O-CG1 3.4Å; Q611-I615 PolarHBondContact O-N 3.07Å; Q611-Y630 PolarHBondContact OE1-OH 2.8Å
612R82.3Confident82.4Confident84 Ų8489.3 Ų89.332%0.31745%0.448SS..Hα-helixtrans-65.4-44.6177.7-73.3-165.472-82.5-28.4112.1I608 Q609 F614 I615 D616 Y630I608-R612 WeakPolarHBondContact O-CG 3.26Å; I608-R612 PolarHBondContact O-N 3.32Å; Q609-R612 PolarHBondContact O-N 3.45Å; R612-F614 PolarHBondContact O-N 2.9Å; R612-I615 WeakPolarHBondContact O-CB 3.32Å; R612-I615 PolarHBondContact O-N 2.71Å; R612-D616 IonicContact CZ-OD2 3.85Å; R612-D616 IonicContact NH1-OD2 3.12Å; R612-D616 IonicContact NH2-OD1 3.75Å; R612-D616 IonicContact NH2-OD2 3.94Å; R612-D616 PolarHBondContact NH2-OD2 3.06Å; R612-D616 VanDerWaalsContact NH2-OD2 3.12Å; R612-D616 WeakPolarHBondContact O-CB 3.37Å; R612-D616 PolarHBondContact O-N 2.84Å; R612-Y630 HydrophobicContact CG-CD1 4.15Å; R612-Y630 HydrophobicContact CG-CD2 3.99Å; R612-Y630 HydrophobicContact CG-CE1 3.98Å; R612-Y630 HydrophobicContact CG-CE2 3.78Å; R612-Y630 HydrophobicContact CG-CG 4.18Å
613Q83.6Confident83Confident109 Ų10988.5 Ų88.551%0.50945%0.45SS..Hα-helixtrans-58-47.2175.5178.8177.4-9.200111.4Q609 Q610 I615 D616 E617Q609-Q613 WeakPolarHBondContact O-CB 3.36Å; Q609-Q613 PolarHBondContact O-N 2.93Å; Q610-Q613 PolarHBondContact O-N 2.91Å; Q613-I615 VanDerWaalsContact C-N 3.34Å; Q613-I615 PolarHBondContact O-N 3.32Å; Q613-D616 PolarHBondContact O-N 3.01Å; Q613-E617 HydrophobicContact CG-CG 4.22Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.45Å; Q613-E617 PolarHBondContact NE2-OE1 3.27Å; Q613-E617 VanDerWaalsContact O-CB 3.32Å; Q613-E617 WeakPolarHBondContact O-CB 3.44Å; Q613-E617 VanDerWaalsContact O-CG 3.28Å; Q613-E617 WeakPolarHBondContact O-CG 3.43Å; Q613-E617 PolarHBondContact O-N 3.44Å
614F85.5Confident83.1Confident111 Ų11188.8 Ų88.849%0.48746%0.458SS..Hα-helixtrans-62.1-41.5178.4-178.5-91.8000112.2Q610 Q611 R612 H618 L620Q610-F614 VanDerWaalsContact O-CB 3.3Å; Q610-F614 WeakPolarHBondContact O-CB 3.26Å; Q610-F614 PolarHBondContact O-N 2.95Å; Q611-F614 PolarHBondContact O-N 3.39Å; R612-F614 PolarHBondContact O-N 2.9Å; F614-H618 AromaticContact CD2-CE1 3.5Å; F614-H618 AromaticContact CD2-ND1 3.63Å; F614-H618 AromaticContact CE2-CE1 3.26Å; F614-H618 WeakPolarHBondContact CE2-CE1 3.33Å; F614-H618 AromaticContact CE2-ND1 3.61Å; F614-H618 AromaticContact CE2-NE2 3.78Å; F614-H618 AromaticContact CG-ND1 3.93Å; F614-H618 AromaticContact CZ-CE1 3.85Å; F614-H618 AromaticContact CZ-ND1 3.88Å; F614-H618 WeakPolarHBondContact O-CB 3.45Å; F614-H618 PolarHBondContact O-N 2.91Å; F614-H618 PolarHBondContact O-ND1 3.48Å; F614-L620 HydrophobicContact CD1-CD1 4.27Å; F614-L620 HydrophobicContact CE1-CD1 4Å
615I84.6Confident83.4Confident25 Ų2592.7 Ų92.713%0.12847%0.471CS..Hα-helixtrans-60.7-48.6174.2-78167.7000111.3Q611 R612 Q613 H618 S619 L620 V622 Y630Q611-I615 WeakPolarHBondContact O-CB 3.28Å; Q611-I615 WeakPolarHBondContact O-CD1 3.42Å; Q611-I615 VanDerWaalsContact O-CG1 3.24Å; Q611-I615 WeakPolarHBondContact O-CG1 3.4Å; Q611-I615 PolarHBondContact O-N 3.07Å; R612-I615 WeakPolarHBondContact O-CB 3.32Å; R612-I615 PolarHBondContact O-N 2.71Å; Q613-I615 VanDerWaalsContact C-N 3.34Å; Q613-I615 PolarHBondContact O-N 3.32Å; I615-H618 PolarHBondContact O-N 3.11Å; I615-S619 WeakPolarHBondContact O-CA 3.38Å; I615-S619 PolarHBondContact O-N 3.09Å; I615-L620 HydrophobicContact CG1-CB 4.5Å; I615-L620 HydrophobicContact CG1-CD1 4.46Å; I615-L620 HydrophobicContact CG2-CB 4.38Å; I615-L620 PolarHBondContact O-N 2.87Å; I615-V622 HydrophobicContact CG2-CG2 3.43Å; I615-V622 VanDerWaalsContact CG2-CG2 3.43Å; I615-Y630 HydrophobicContact CD1-CE2 4.43Å
616D82.3Confident83.4Confident89 Ų8994.6 Ų94.648%0.47648%0.481SS..Hα-helixtrans-66.3-44.7-177.8-67.6-23.7000110.2R612 Q613 H618 S619R612-D616 IonicContact CZ-OD2 3.85Å; R612-D616 IonicContact NH1-OD2 3.12Å; R612-D616 IonicContact NH2-OD1 3.75Å; R612-D616 IonicContact NH2-OD2 3.94Å; R612-D616 PolarHBondContact NH2-OD2 3.06Å; R612-D616 VanDerWaalsContact NH2-OD2 3.12Å; R612-D616 WeakPolarHBondContact O-CB 3.37Å; R612-D616 PolarHBondContact O-N 2.84Å; Q613-D616 PolarHBondContact O-N 3.01Å; D616-H618 PolarHBondContact O-N 2.93Å; D616-S619 PolarHBondContact O-N 2.99Å
617E86.1Confident83.3Confident122 Ų12292.5 Ų92.557%0.5747%0.471SS*.Hα-helixtrans-61.8-38.9176.3-76.5174.3176.400113.4Q613Q613-E617 HydrophobicContact CG-CG 4.22Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.45Å; Q613-E617 PolarHBondContact NE2-OE1 3.27Å; Q613-E617 VanDerWaalsContact O-CB 3.32Å; Q613-E617 WeakPolarHBondContact O-CB 3.44Å; Q613-E617 VanDerWaalsContact O-CG 3.28Å; Q613-E617 WeakPolarHBondContact O-CG 3.43Å; Q613-E617 PolarHBondContact O-N 3.44Å
618H84.7Confident83.3Confident104 Ų10494.6 Ų94.648%0.48148%0.48SS..THydrogen-bonded Turntrans-945.9-179.8-63.276.9000112.9F614 I615 D616 L620F614-H618 AromaticContact CD2-CE1 3.5Å; F614-H618 AromaticContact CD2-ND1 3.63Å; F614-H618 AromaticContact CE2-CE1 3.26Å; F614-H618 WeakPolarHBondContact CE2-CE1 3.33Å; F614-H618 AromaticContact CE2-ND1 3.61Å; F614-H618 AromaticContact CE2-NE2 3.78Å; F614-H618 AromaticContact CG-ND1 3.93Å; F614-H618 AromaticContact CZ-CE1 3.85Å; F614-H618 AromaticContact CZ-ND1 3.88Å; F614-H618 WeakPolarHBondContact O-CB 3.45Å; F614-H618 PolarHBondContact O-N 2.91Å; F614-H618 PolarHBondContact O-ND1 3.48Å; I615-H618 PolarHBondContact O-N 3.11Å; D616-H618 PolarHBondContact O-N 2.93Å; H618-L620 HydrophobicContact CB-CD1 4.13Å; H618-L620 HydrophobicContact CB-CD2 4.25Å; H618-L620 HydrophobicContact CB-CG 3.81Å; H618-L620 PolarHBondContact O-N 3.19Å
619S82.3Confident83.1Confident109 Ų10997.5 Ų97.576%0.76250%0.495SS*.THydrogen-bonded Turntrans50.738.8-179-61.20000113.9I615 D616I615-S619 WeakPolarHBondContact O-CA 3.38Å; I615-S619 PolarHBondContact O-N 3.09Å; D616-S619 PolarHBondContact O-N 2.99Å
620L81.8Confident83.2Confident90 Ų9092.3 Ų92.347%0.47147%0.47SS..  trans-77.3134.9-175.4-61.3177.2000111.4F614 I615 H618 V622F614-L620 HydrophobicContact CD1-CD1 4.27Å; F614-L620 HydrophobicContact CE1-CD1 4Å; I615-L620 HydrophobicContact CG1-CB 4.5Å; I615-L620 HydrophobicContact CG1-CD1 4.46Å; I615-L620 HydrophobicContact CG2-CB 4.38Å; I615-L620 PolarHBondContact O-N 2.87Å; H618-L620 HydrophobicContact CB-CD1 4.13Å; H618-L620 HydrophobicContact CB-CD2 4.25Å; H618-L620 HydrophobicContact CB-CG 3.81Å; H618-L620 PolarHBondContact O-N 3.19Å; L620-V622 PolarHBondContact O-N 3.12Å; L620-V622 VanDerWaalsContact O-N 3.1Å
621L78.5Confident82.9Confident173 Ų17390.1 Ų90.191%0.90646%0.46SS*.  trans-67.4108.9177.5-68.8174.2000110.9P623L621-P623 WeakPolarHBondContact O-CD 3.47Å
622V80.3Confident82.5Confident45 Ų4587.7 Ų87.727%0.27346%0.455SS..  trans-71.8123.7175.7-174.60000109.9I615 L620 L626 Q627I615-V622 HydrophobicContact CG2-CG2 3.43Å; I615-V622 VanDerWaalsContact CG2-CG2 3.43Å; L620-V622 PolarHBondContact O-N 3.12Å; L620-V622 VanDerWaalsContact O-N 3.1Å; V622-L626 HydrophobicContact CG1-CB 4.09Å; V622-L626 HydrophobicContact CG1-CD2 4.31Å; V622-L626 HydrophobicContact CG1-CG 4.2Å; V622-Q627 HydrophobicContact CG1-CB 3.92Å
623P88.3Confident82.4Confident77 Ų7785.8 Ų85.850%0.545%0.449SS..  trans-61.5138.6171.7-22.634.2000110.9L621 H625 L626 Q627L621-P623 WeakPolarHBondContact O-CD 3.47Å; P623-H625 VanDerWaalsContact C-N 3.3Å; P623-H625 PolarHBondContact O-N 2.97Å; P623-H625 VanDerWaalsContact O-N 3.17Å; P623-L626 HydrophobicContact CB-CB 4.49Å; P623-L626 WeakPolarHBondContact O-CA 3.24Å; P623-L626 WeakPolarHBondContact O-CB 3.38Å; P623-L626 PolarHBondContact O-N 2.86Å; P623-Q627 PolarHBondContact O-N 3.4Å; P623-Q627 VanDerWaalsContact O-N 3.08Å
624P78.4Confident81.8Confident101 Ų10184.8 Ų84.866%0.65645%0.445SS*.Hα-helixtrans-57.7-38.2-171.518.8-31.3000113.7L626 Q627 E628P624-L626 VanDerWaalsContact C-N 3.29Å; P624-L626 PolarHBondContact O-N 3.28Å; P624-Q627 WeakPolarHBondContact O-CB 3.31Å; P624-Q627 PolarHBondContact O-N 2.78Å; P624-Q627 VanDerWaalsContact O-N 3.16Å; P624-E628 WeakPolarHBondContact O-CG 3.37Å; P624-E628 PolarHBondContact O-N 3.16Å
625H82.1Confident81.2Confident130 Ų13085.7 Ų85.760%0.60245%0.445SS*.Hα-helixtrans-61.2-32.5173.2175.1-83.6000113.6P623 L629P623-H625 VanDerWaalsContact C-N 3.3Å; P623-H625 PolarHBondContact O-N 2.97Å; P623-H625 VanDerWaalsContact O-N 3.17Å; H625-L629 WeakPolarHBondContact O-CG 3.44Å; H625-L629 PolarHBondContact O-N 2.93Å
626L81.2Confident80.3Confident56 Ų5689.4 Ų89.429%0.29346%0.462SS..Hα-helixtrans-76.2-35.9175.1-17760.7000111.2V622 P623 P624 L629 Y630V622-L626 HydrophobicContact CG1-CB 4.09Å; V622-L626 HydrophobicContact CG1-CD2 4.31Å; V622-L626 HydrophobicContact CG1-CG 4.2Å; P623-L626 HydrophobicContact CB-CB 4.49Å; P623-L626 WeakPolarHBondContact O-CA 3.24Å; P623-L626 WeakPolarHBondContact O-CB 3.38Å; P623-L626 PolarHBondContact O-N 2.86Å; P624-L626 VanDerWaalsContact C-N 3.29Å; P624-L626 PolarHBondContact O-N 3.28Å; L626-L629 PolarHBondContact O-N 2.71Å; L626-Y630 HydrophobicContact CD1-CE1 4.35Å; L626-Y630 HydrophobicContact CD1-CE2 4.05Å; L626-Y630 HydrophobicContact CD2-CE2 4.02Å; L626-Y630 HydrophobicContact CG-CD2 4.15Å; L626-Y630 HydrophobicContact CG-CE2 3.64Å; L626-Y630 WeakPolarHBondContact O-CD2 3.4Å; L626-Y630 PolarHBondContact O-N 2.88Å
627Q82.2Confident79.4Confident69 Ų6988.4 Ų88.432%0.32246%0.456SS..Hα-helixtrans-62.3-45.8171.6177.761.121.600111.3V622 P623 P624 L629 Y630 E631V622-Q627 HydrophobicContact CG1-CB 3.92Å; P623-Q627 PolarHBondContact O-N 3.4Å; P623-Q627 VanDerWaalsContact O-N 3.08Å; P624-Q627 WeakPolarHBondContact O-CB 3.31Å; P624-Q627 PolarHBondContact O-N 2.78Å; P624-Q627 VanDerWaalsContact O-N 3.16Å; Q627-L629 VanDerWaalsContact C-N 3.3Å; Q627-L629 PolarHBondContact O-N 2.95Å; Q627-Y630 PolarHBondContact O-N 2.83Å; Q627-E631 PolarHBondContact NE2-OE1 3.06Å; Q627-E631 WeakPolarHBondContact O-CG 3.31Å; Q627-E631 PolarHBondContact O-N 3.35Å
628E83.3Confident78.1Confident118 Ų11889 Ų8955%0.55146%0.463SS*.Hα-helixtrans-57.1-40.9174.1-74.8169-161.300112.4P624 E631 A632P624-E628 WeakPolarHBondContact O-CG 3.37Å; P624-E628 PolarHBondContact O-N 3.16Å; E628-E631 PolarHBondContact O-N 3.29Å; E628-A632 VanDerWaalsContact O-CB 3.31Å; E628-A632 WeakPolarHBondContact O-CB 3.43Å; E628-A632 PolarHBondContact O-N 2.93Å
629L82.6Confident76.6Confident94 Ų9490.4 Ų90.449%0.49247%0.47SS..Hα-helixtrans-66.8-43.2175.1-75.3173.2000112.5H625 L626 Q627 A632 Y633H625-L629 WeakPolarHBondContact O-CG 3.44Å; H625-L629 PolarHBondContact O-N 2.93Å; L626-L629 PolarHBondContact O-N 2.71Å; Q627-L629 VanDerWaalsContact C-N 3.3Å; Q627-L629 PolarHBondContact O-N 2.95Å; L629-A632 PolarHBondContact O-N 3.44Å; L629-Y633 VanDerWaalsContact O-CB 3.31Å; L629-Y633 WeakPolarHBondContact O-CB 3.33Å; L629-Y633 PolarHBondContact O-N 3.27Å
630Y84.6Confident75.1Confident16 Ų1690.7 Ų90.76%0.06346%0.455CS..Hα-helixtrans-63.5-41.1174.9-71.2-40000111.6I608 Q611 R612 I615 L626 Q627 Y633 M634I608-Y630 HydrophobicContact CG2-CD1 3.88Å; I608-Y630 HydrophobicContact CG2-CE1 3.86Å; Q611-Y630 PolarHBondContact OE1-OH 2.8Å; R612-Y630 HydrophobicContact CG-CD1 4.15Å; R612-Y630 HydrophobicContact CG-CD2 3.99Å; R612-Y630 HydrophobicContact CG-CE1 3.98Å; R612-Y630 HydrophobicContact CG-CE2 3.78Å; R612-Y630 HydrophobicContact CG-CG 4.18Å; I615-Y630 HydrophobicContact CD1-CE2 4.43Å; L626-Y630 HydrophobicContact CD1-CE1 4.35Å; L626-Y630 HydrophobicContact CD1-CE2 4.05Å; L626-Y630 HydrophobicContact CD2-CE2 4.02Å; L626-Y630 HydrophobicContact CG-CD2 4.15Å; L626-Y630 HydrophobicContact CG-CE2 3.64Å; L626-Y630 WeakPolarHBondContact O-CD2 3.4Å; L626-Y630 PolarHBondContact O-N 2.88Å; Q627-Y630 PolarHBondContact O-N 2.83Å; Y630-Y633 PolarHBondContact O-N 3.04Å; Y630-M634 VanDerWaalsContact O-CG 3.3Å; Y630-M634 WeakPolarHBondContact O-CG 3.24Å; Y630-M634 PolarHBondContact O-N 3.22Å
631E80.8Confident73.6Confident78 Ų7897 Ų9736%0.36448%0.478SS..Hα-helixtrans-68.5-37.5175.9-70.8179.3-15900113Q627 E628 M634 R635Q627-E631 PolarHBondContact NE2-OE1 3.06Å; Q627-E631 WeakPolarHBondContact O-CG 3.31Å; Q627-E631 PolarHBondContact O-N 3.35Å; E628-E631 PolarHBondContact O-N 3.29Å; E631-M634 PolarHBondContact O-N 3.07Å; E631-R635 WeakPolarHBondContact O-CB 3.41Å; E631-R635 VanDerWaalsContact O-CG 3.29Å; E631-R635 WeakPolarHBondContact O-CG 3.49Å; E631-R635 PolarHBondContact O-N 3.03Å; E631-R635 PolarHBondContact O-NE 3.46Å; E631-R635 IonicContact OE2-CZ 3.91Å; E631-R635 IonicContact OE2-NH1 3.4Å; E631-R635 PolarHBondContact OE2-NH1 2.75Å; E631-R635 VanDerWaalsContact OE2-NH1 3.12Å; E631-R635 IonicContact OE2-NH2 2.77Å
632A77.9Confident71.8Confident41 Ų4195.2 Ų95.234%0.33947%0.469SS..Hα-helixtrans-61.9-45.6172.900000110.9E628 L629 R635 E636E628-A632 VanDerWaalsContact O-CB 3.31Å; E628-A632 WeakPolarHBondContact O-CB 3.43Å; E628-A632 PolarHBondContact O-N 2.93Å; L629-A632 PolarHBondContact O-N 3.44Å; A632-R635 PolarHBondContact O-N 3.47Å; A632-E636 WeakPolarHBondContact O-CG 3.34Å; A632-E636 PolarHBondContact O-N 2.87Å
633Y79.3Confident69.9Low44 Ų4498.1 Ų98.117%0.17348%0.479CS..Hα-helixtrans-61.6-43.3175.6166.3-96.9000112.8D605 I608 L629 Y630 E636 L637D605-Y633 VanDerWaalsContact CA-OH 3.28Å; D605-Y633 WeakPolarHBondContact CA-OH 3.38Å; D605-Y633 WeakPolarHBondContact CB-OH 3.28Å; D605-Y633 PolarHBondContact OD1-OH 3.29Å; I608-Y633 HydrophobicContact CB-CE1 4.3Å; I608-Y633 HydrophobicContact CD1-CD1 4.26Å; I608-Y633 HydrophobicContact CD1-CD2 3.87Å; I608-Y633 HydrophobicContact CD1-CE1 4.11Å; I608-Y633 HydrophobicContact CD1-CE2 3.69Å; I608-Y633 HydrophobicContact CD1-CG 4.15Å; I608-Y633 HydrophobicContact CG2-CD1 3.91Å; I608-Y633 HydrophobicContact CG2-CE1 3.62Å; L629-Y633 VanDerWaalsContact O-CB 3.31Å; L629-Y633 WeakPolarHBondContact O-CB 3.33Å; L629-Y633 PolarHBondContact O-N 3.27Å; Y630-Y633 PolarHBondContact O-N 3.04Å; Y633-E636 PolarHBondContact O-N 3.2Å; Y633-L637 HydrophobicContact CD1-CD1 4.28Å; Y633-L637 HydrophobicContact CE1-CD1 3.59Å; Y633-L637 HydrophobicContact CE1-CG 4.35Å; Y633-L637 HydrophobicContact CE2-CD1 4.39Å; Y633-L637 HydrophobicContact CE2-CG 4.38Å; Y633-L637 PolarHBondContact O-N 3.02Å
634M71.8Confident68.1Low89 Ų89100.5 Ų100.544%0.43848%0.479SS..Hα-helixtrans-63.4-43.9174.5-70.8-60.7-59.300111.9Y630 E631 E636 L637 D638Y630-M634 VanDerWaalsContact O-CG 3.3Å; Y630-M634 WeakPolarHBondContact O-CG 3.24Å; Y630-M634 PolarHBondContact O-N 3.22Å; E631-M634 PolarHBondContact O-N 3.07Å; M634-E636 VanDerWaalsContact C-N 3.29Å; M634-E636 PolarHBondContact O-N 3.38Å; M634-L637 WeakPolarHBondContact O-CB 3.42Å; M634-L637 PolarHBondContact O-N 2.76Å; M634-L637 VanDerWaalsContact O-N 3.14Å; M634-L637 HydrophobicContact SD-CD1 4.05Å; M634-D638 PolarHBondContact O-N 3.28Å
635R71.4Confident66.6Low130 Ų13099.1 Ų99.149%0.49148%0.476SS..Hα-helixtrans-59.5-38.6173.6-73179-71.3-110.70.4111.9E631 A632 D638 E639E631-R635 WeakPolarHBondContact O-CB 3.41Å; E631-R635 VanDerWaalsContact O-CG 3.29Å; E631-R635 WeakPolarHBondContact O-CG 3.49Å; E631-R635 PolarHBondContact O-N 3.03Å; E631-R635 PolarHBondContact O-NE 3.46Å; E631-R635 IonicContact OE2-CZ 3.91Å; E631-R635 IonicContact OE2-NH1 3.4Å; E631-R635 PolarHBondContact OE2-NH1 2.75Å; E631-R635 VanDerWaalsContact OE2-NH1 3.12Å; E631-R635 IonicContact OE2-NH2 2.77Å; A632-R635 PolarHBondContact O-N 3.47Å; R635-D638 PolarHBondContact O-N 3.44Å; R635-E639 WeakPolarHBondContact O-CG 3.38Å; R635-E639 PolarHBondContact O-N 2.84Å
636E66.3Low64.9Low102 Ų10296.8 Ų96.848%0.47747%0.47SS..Hα-helixtrans-69.6-28.2175.3-74.8-152.8157.500114.7A632 Y633 M634 R644A632-E636 WeakPolarHBondContact O-CG 3.34Å; A632-E636 PolarHBondContact O-N 2.87Å; Y633-E636 PolarHBondContact O-N 3.2Å; M634-E636 VanDerWaalsContact C-N 3.29Å; M634-E636 PolarHBondContact O-N 3.38Å; E636-R644 IonicContact OE1-CZ 2.91Å; E636-R644 IonicContact OE1-NH2 3.38Å; E636-R644 PolarHBondContact OE1-NH2 3.45Å; E636-R644 IonicContact OE2-CZ 3.28Å; E636-R644 VanDerWaalsContact OE2-CZ 3.23Å; E636-R644 IonicContact OE2-NH1 3.99Å; E636-R644 PolarHBondContact OE2-NH1 3.37Å; E636-R644 IonicContact OE2-NH2 2.74Å; E636-R644 PolarHBondContact OE2-NH2 2.88Å
637L64.6Low63.2Low69 Ų6996.7 Ų96.736%0.36148%0.478SS..Hα-helixtrans-69.7-42.2171.2-75.1174.1000111.4Y633 M634Y633-L637 HydrophobicContact CD1-CD1 4.28Å; Y633-L637 HydrophobicContact CE1-CD1 3.59Å; Y633-L637 HydrophobicContact CE1-CG 4.35Å; Y633-L637 HydrophobicContact CE2-CD1 4.39Å; Y633-L637 HydrophobicContact CE2-CG 4.38Å; Y633-L637 PolarHBondContact O-N 3.02Å; M634-L637 WeakPolarHBondContact O-CB 3.42Å; M634-L637 PolarHBondContact O-N 2.76Å; M634-L637 VanDerWaalsContact O-N 3.14Å; M634-L637 HydrophobicContact SD-CD1 4.05Å
638D57.2Low61.5Low134 Ų13498.6 Ų98.672%0.71749%0.49SS*.Hα-helixtrans-75.3-40.9-175.2-75.1-29.5000113.3M634 R635M634-D638 PolarHBondContact O-N 3.28Å; R635-D638 PolarHBondContact O-N 3.44Å
639E53.6Low59.6Low134 Ų13496.8 Ų96.863%0.62648%0.484SS*.Hα-helixtrans-68.6-43-166.3-84-162.7167.500115.5R635R635-E639 WeakPolarHBondContact O-CG 3.38Å; R635-E639 PolarHBondContact O-N 2.84Å
640R50.6Low57.5Low115 Ų11599.2 Ų99.243%0.43449%0.49SS..  trans-136.990.4-151.5-88.1163165.7144.9-13.3117E643R640-E643 HydrophobicContact CG-CB 4.32Å; R640-E643 IonicContact CZ-OE1 3.67Å; R640-E643 VanDerWaalsContact CZ-OE1 3.31Å; R640-E643 IonicContact CZ-OE2 3.12Å; R640-E643 IonicContact NE-OE1 2.63Å; R640-E643 PolarHBondContact NE-OE1 3.47Å; R640-E643 IonicContact NE-OE2 3.59Å; R640-E643 PolarHBondContact NE-OE2 2.85Å; R640-E643 VanDerWaalsContact NH2-CD 3.3Å; R640-E643 IonicContact NH2-OE1 3.82Å; R640-E643 PolarHBondContact NH2-OE1 3.34Å; R640-E643 IonicContact NH2-OE2 3.81Å; R640-E643 PolarHBondContact NH2-OE2 3Å
641K50.2Low55.5Low221 Ų221102.5 Ų102.596%0.96151%0.512SS*.SBendtrans-82.20.4164.6-77.6-174.1176.3176.90115.9
642L41.3Very low53.7Low136 Ų136102.3 Ų102.371%0.71252%0.516SS*.SBendtrans-135.1-44.5-171.5-163.362.8000115.9R644L642-R644 PolarHBondContact O-N 3.49Å
643E41.4Very low51.8Low106 Ų106104.9 Ų104.950%0.49552%0.524SS..Hα-helixtrans-71.7-31-169.8-75.9176.8-101.500115R640 A645 V646 A647R640-E643 HydrophobicContact CG-CB 4.32Å; R640-E643 IonicContact CZ-OE1 3.67Å; R640-E643 VanDerWaalsContact CZ-OE1 3.31Å; R640-E643 IonicContact CZ-OE2 3.12Å; R640-E643 IonicContact NE-OE1 2.63Å; R640-E643 PolarHBondContact NE-OE1 3.47Å; R640-E643 IonicContact NE-OE2 3.59Å; R640-E643 PolarHBondContact NE-OE2 2.85Å; R640-E643 VanDerWaalsContact NH2-CD 3.3Å; R640-E643 IonicContact NH2-OE1 3.82Å; R640-E643 PolarHBondContact NH2-OE1 3.34Å; R640-E643 IonicContact NH2-OE2 3.81Å; R640-E643 PolarHBondContact NH2-OE2 3Å; E643-A645 VanDerWaalsContact C-N 3.29Å; E643-A645 PolarHBondContact O-N 3.25Å; E643-V646 PolarHBondContact O-N 2.92Å; E643-V646 VanDerWaalsContact O-N 3.11Å; E643-A647 PolarHBondContact O-N 2.85Å
644R48.9Very low49.8Very low128 Ų128113.5 Ų113.548%0.48356%0.556SS.*Hα-helixtrans-64.1-31-179.4-80.3-178.9158.5173.3-11.8113.2E636 L642 A647 L648E636-R644 IonicContact OE1-CZ 2.91Å; E636-R644 IonicContact OE1-NH2 3.38Å; E636-R644 PolarHBondContact OE1-NH2 3.45Å; E636-R644 IonicContact OE2-CZ 3.28Å; E636-R644 VanDerWaalsContact OE2-CZ 3.23Å; E636-R644 IonicContact OE2-NH1 3.99Å; E636-R644 PolarHBondContact OE2-NH1 3.37Å; E636-R644 IonicContact OE2-NH2 2.74Å; E636-R644 PolarHBondContact OE2-NH2 2.88Å; L642-R644 PolarHBondContact O-N 3.49Å; R644-A647 PolarHBondContact O-N 3.14Å; R644-L648 PolarHBondContact O-N 3.01Å; R644-L648 VanDerWaalsContact O-N 3.08Å
645A46.8Very low48.3Very low72 Ų72117.1 Ų117.160%0.59557%0.572SS**Hα-helixtrans-65.1-40.617300000112.1E643 A647 D649E643-A645 VanDerWaalsContact C-N 3.29Å; E643-A645 PolarHBondContact O-N 3.25Å; A645-A647 VanDerWaalsContact C-N 3.34Å; A645-D649 PolarHBondContact O-N 3.27Å
646V47.5Very low46.7Very low81 Ų81115.7 Ų115.749%0.49158%0.578SS.*Hα-helixtrans-72.3-28.7177.7-175.90000111.8E643 K650E643-V646 PolarHBondContact O-N 2.92Å; E643-V646 VanDerWaalsContact O-N 3.11Å; V646-K650 WeakPolarHBondContact O-CG 3.26Å
647A45Very low45.3Very low54 Ų54118.1 Ų118.145%0.44659%0.592SS.*Hα-helixtrans-71.7-42.5174.200000112.4E643 R644 A645 K650 V651E643-A647 PolarHBondContact O-N 2.85Å; R644-A647 PolarHBondContact O-N 3.14Å; A645-A647 VanDerWaalsContact C-N 3.34Å; A647-K650 PolarHBondContact O-N 3Å; A647-V651 PolarHBondContact O-N 3.45Å
648L46Very low43.5Very low109 Ų109124.7 Ų124.757%0.57162%0.618SS**Hα-helixtrans-63.1-44.1179.3-87.3161.1000112.7R644 K650 V651 T652R644-L648 PolarHBondContact O-N 3.01Å; R644-L648 VanDerWaalsContact O-N 3.08Å; L648-K650 VanDerWaalsContact C-N 3.28Å; L648-K650 PolarHBondContact O-N 3.05Å; L648-V651 PolarHBondContact O-N 3.47Å; L648-T652 PolarHBondContact O-N 3.19Å; L648-T652 PolarHBondContact O-OG1 2.93Å
649D43.7Very low42.4Very low80 Ų80126.7 Ų126.743%0.42862%0.623SS.*Hα-helixtrans-55.3-42.4177.4-179.471.5000112.3A645 V651 T652 N653A645-D649 PolarHBondContact O-N 3.27Å; D649-V651 VanDerWaalsContact C-N 3.26Å; D649-V651 PolarHBondContact O-N 2.85Å; D649-T652 PolarHBondContact O-OG1 3.39Å; D649-N653 WeakPolarHBondContact O-CB 3.35Å; D649-N653 VanDerWaalsContact O-CG 3.26Å; D649-N653 PolarHBondContact O-N 3.34Å; D649-N653 PolarHBondContact O-ND2 2.83Å; D649-N653 VanDerWaalsContact O-ND2 3.08Å; D649-N653 PolarHBondContact OD1-ND2 3.46Å; D649-N653 PolarHBondContact OD2-ND2 3.11Å; D649-N653 VanDerWaalsContact OD2-ND2 3.14Å
650K38.9Very low41.8Very low144 Ų144124.3 Ų124.363%0.62664%0.635SS**Hα-helixtrans-66.2-21.9176.2-69.7177.7179.5179.80114.3V646 A647 L648V646-K650 WeakPolarHBondContact O-CG 3.26Å; A647-K650 PolarHBondContact O-N 3Å; L648-K650 VanDerWaalsContact C-N 3.28Å; L648-K650 PolarHBondContact O-N 3.05Å
651V41.8Very low40.8Very low86 Ų86124.1 Ų124.152%0.52165%0.651SS.*Hα-helixtrans-87.7-46.5177.5176.20000110.5A647 L648 D649 N653 R654A647-V651 PolarHBondContact O-N 3.45Å; L648-V651 PolarHBondContact O-N 3.47Å; D649-V651 VanDerWaalsContact C-N 3.26Å; D649-V651 PolarHBondContact O-N 2.85Å; V651-N653 PolarHBondContact O-N 3.19Å; V651-R654 PolarHBondContact O-N 3.28Å
652T42.8Very low39.8Very low73 Ų73121.4 Ų121.445%0.44865%0.646SS.*Hα-helixtrans-64.3-41.4178.945.10000112.4L648 D649 R654 Q655L648-T652 PolarHBondContact O-N 3.19Å; L648-T652 PolarHBondContact O-OG1 2.93Å; D649-T652 PolarHBondContact O-OG1 3.39Å; T652-R654 PolarHBondContact O-N 2.96Å; T652-Q655 PolarHBondContact O-N 3.4Å; T652-Q655 VanDerWaalsContact O-N 3.09Å
653N39.4Very low39.2Very low95 Ų95120.1 Ų120.151%0.50865%0.646SS.*THydrogen-bonded Turntrans-69.2-3.4179-65.6-28.5000113.6D649 V651D649-N653 WeakPolarHBondContact O-CB 3.35Å; D649-N653 VanDerWaalsContact O-CG 3.26Å; D649-N653 PolarHBondContact O-N 3.34Å; D649-N653 PolarHBondContact O-ND2 2.83Å; D649-N653 VanDerWaalsContact O-ND2 3.08Å; D649-N653 PolarHBondContact OD1-ND2 3.46Å; D649-N653 PolarHBondContact OD2-ND2 3.11Å; D649-N653 VanDerWaalsContact OD2-ND2 3.14Å; V651-N653 PolarHBondContact O-N 3.19Å
654R36.4Very low38.6Very low226 Ų226124.9 Ų124.985%0.85367%0.665SS**THydrogen-bonded Turntrans-95-7.6172.4-99.1-174.7170.7-164.8-1.9114.7V651 T652V651-R654 PolarHBondContact O-N 3.28Å; T652-R654 PolarHBondContact O-N 2.96Å
655Q40.1Very low37.6Very low165 Ų165126.2 Ų126.277%0.77168%0.68SS**THydrogen-bonded Turntrans-112.3-14-175.2-69.9-175-30.200114.2T652T652-Q655 PolarHBondContact O-N 3.4Å; T652-Q655 VanDerWaalsContact O-N 3.09Å
656T38.9Very low36.6Very low100 Ų100128 Ų12861%0.61369%0.688SS**SBendtrans-91.9116.4171.549.10000111.5
657I35.9Very low35.6Very low152 Ų152131.8 Ų131.878%0.77971%0.705SS**  trans67.680.3169.5-41.4176.8000115E659I657-E659 HydrophobicContact CG2-CG 4.21Å
658K26.6Very low34.8Very low208 Ų208135.1 Ų135.190%0.90472%0.722SS**  -98.6137.6121.1-91.2-166.6172.4-171.20108
659E35.3Very low33.9Very low175 Ų175133.5 Ų133.582%0.81873%0.731SS**  trans-72.2156178-59.7179.6117.200111.9I657 S661I657-E659 HydrophobicContact CG2-CG 4.21Å; E659-S661 PolarHBondContact O-N 3.15Å
660G40.8Very low33.3Very low85 Ų85139.4 Ų139.488%0.87676%0.756SS**SBendtrans7137.4148.500000118.8
661S28.3Very low32.8Very low110 Ų110136 Ų13677%0.76976%0.763SS**  trans-153.6120.9158.839.80000114.1E659E659-S661 PolarHBondContact O-N 3.15Å
662L30.9Very low32.1Very low165 Ų165142.3 Ų142.386%0.86478%0.777SS**  trans-83.3139162.2-72.2169.8000109K664L662-K664 PolarHBondContact O-N 3.38Å
663P26.9Very low31.3Very low108 Ų108144.1 Ų144.170%0.70178%0.784SS**  trans-64.1132.9164.228.6-32.7000109I665P663-I665 PolarHBondContact O-N 3.49Å; P663-I665 VanDerWaalsContact O-N 3.14Å
664K30.5Very low30.6Very low207 Ų207150.1 Ų150.190%0.980%0.801SS**  trans-66.3112.8177.6-71.1-175.1177.1-176.80109.9L662L662-K664 PolarHBondContact O-N 3.38Å
665I28Very low30.2Very low155 Ų155144.6 Ų144.680%0.79579%0.792SS**  trans-89.9112.5168.7-60.2176.1000107.5P663P663-I665 PolarHBondContact O-N 3.49Å; P663-I665 VanDerWaalsContact O-N 3.14Å
666S24.3Very low29.5Very low110 Ų110144.1 Ų144.177%0.76979%0.79SS**  trans-75.6123.2173.3-57.10000110
667L27.1Very low28.9Very low160 Ų160145.3 Ų145.384%0.83879%0.793SS**  trans-71135169.2-70.9167.3000109.9G669L667-G669 PolarHBondContact O-N 3.41Å
668P28.2Very low28.6Very low125 Ų125144.6 Ų144.681%0.81280%0.795SS**  trans-74111.6168.530-31.1000109.3
669G27.6Very low28.5Very low74 Ų74142.2 Ų142.276%0.76379%0.793SS**PPolyproline II helixtrans-68.6147.7176.300000112.6L667L667-G669 PolarHBondContact O-N 3.41Å
670Q30.6Very low28.2Very low204 Ų204138.1 Ų138.195%0.95378%0.783SS**PPolyproline II helixtrans-69.8173.2167.6-70.3174.6-61.700111.1
671G27.8Very low27.7Very low74 Ų74140.1 Ų140.176%0.76377%0.774SS**PPolyproline II helixtrans-64.8155.3-16300000117
672R27.7Very low27.6Very low218 Ų218142.8 Ų142.882%0.82377%0.774SS**  trans-28.7153138.6-74.2178.5170.1-99.48.8113.3
673D25.2Very low27.5Very low110 Ų110142.2 Ų142.259%0.58877%0.767SS**  cis-155.5158.4-9.2-90.2-39.3000104.6
674Y26.4Very low27.6Very low222 Ų222141 Ų14187%0.87176%0.761SS**  trans172.1120.3140.5-100-67.8000113.1
675T26.2Very low27.4Very low109 Ų109136.9 Ų136.967%0.66975%0.748SS**  trans51.2122.3146.944.90000123.4
676Q26.8Very low27.3Very low155 Ų155139.3 Ų139.372%0.72475%0.747SS**  trans82.5111.6132-68-169.5-98.300122.4
677D25.4Very low27.4Very low126 Ų126140.4 Ų140.467%0.67475%0.745SS**  71.9156.4118.4-50-21.2000123.2
678V29.2Very low27.3Very low136 Ų136139.6 Ų139.682%0.82474%0.738SS**  trans74.781.7166.6-158.50000117.9
679D25.2Very low27Very low159 Ų159142.4 Ų142.485%0.8574%0.738SS**  24.5162.7113.7-110.1-33000123.9
680S29.2Very low27Very low89 Ų89143.4 Ų143.462%0.62274%0.739SS**  trans92.2127.3153-1010000122.9
681D29.8Very low26.7Very low126 Ų126141.9 Ų141.967%0.67473%0.732SS**  trans80121.6139.1-58.20.4000119.3
682Q27.3Very low26.6Very low166 Ų166144.6 Ų144.678%0.77673%0.729SS**  75.7136.758.2-72.1-168.317.400112.4
683E28.9Very low26.6Very low154 Ų154145.8 Ų145.872%0.7273%0.733SS**  cis-159.8-176.52.5-142.5-160.9-169.800111.5
684S28.8Very low26.7Very low82 Ų82152.3 Ų152.357%0.57375%0.749SS**  trans74.1149.2141.7-81.10000120.4
685L26.1Very low26.6Very low120 Ų120144.8 Ų144.863%0.62874%0.739SS**  cis-167148.8-15.6-109.7168.8000109.7
686R26.1Very low26.7Very low207 Ų207149.3 Ų149.378%0.78175%0.753SS**  trans62.1159.3143.6-80.1179-175.3156.49.3121.1
687D26.8Very low26.6Very low133 Ų133146.3 Ų146.371%0.71176%0.755SS**  cis-167.2-159.7-28.9-145.6-47.7000107.7
688M23.4Very low26.7Very low142 Ų142151.8 Ų151.870%0.777%0.766SS**  trans109.686.2149.1-56.2-67-8900117.1
689F23.6Very low26.5Very low185 Ų185153.3 Ų153.381%0.81177%0.766SS**  trans75.4144.6138.2-70.1-66.4000121.9
690A26.2Very low26.6Very low94 Ų94155.1 Ų155.178%0.77776%0.761SS**  trans-129.8168.9170.600000108.5
691E24.5Very low26.5Very low173 Ų173159.6 Ų159.681%0.80877%0.765SS**  trans-121.1127.2167.1-88.3-14688.700114.2
692N25.3Very low26.3Very low130 Ų130161 Ų16170%0.69577%0.767SS**  trans48.7100.8141.7-72.7-51000121
693R28.5Very low26.3Very low243 Ų243159.1 Ų159.192%0.91777%0.767SS**  trans-88.8140.8145.1-69.4-179.1172.7-162-0.9110.9
694R27.3Very low26.6Very low247 Ų247160 Ų16093%0.93278%0.776SS**  trans-151.2139.9148.2-80.5-177.9-169.2-140.8-0.7109.3
695G25.2Very low26.7Very low64 Ų64161.7 Ų161.766%0.6678%0.784SS**  cis166.6173.2-10.300000113.2
696Q27.1Very low27.3Very low204 Ų204161.3 Ų161.395%0.95379%0.789SS**  trans70.3137.6167.8-55.4176.4-8.700115.6
697A25.8Very low27.3Very low93 Ų93158.6 Ų158.677%0.76979%0.789SS**  cis-148.7-175.1600000110.1
698R26.5Very low27.3Very low240 Ų240159.8 Ų159.891%0.90679%0.794SS**  cis-143.5-97.32.8-153.1164.1-169.1159.82.5112.8
699M25.2Very low28.5Very low169 Ų169158 Ų15883%0.83379%0.793SS**  trans-156.7163.3-174.4-54.5-172.9106.800109.7
700R26.8Very low28.5Very low196 Ų196158.6 Ų158.674%0.7480%0.798SS**  -171.4150.953.3-119.4-171.4178.4175.60.2114.2
701R27.4Very low28.7Very low184 Ų184158.3 Ų158.369%0.69480%0.796SS**  trans75.2116.5144.9-68.2-171166.9172.9-5.1123.9
702H26.1Very low28.8Very low155 Ų155158.2 Ų158.272%0.71880%0.796SS**  60.4105.4126.9-60.9-59.3000124.2
703T26.7Very low30.1Very low127 Ų127156.8 Ų156.878%0.77979%0.794SS**  33.6132.6115.150.60000122.6
704L34.7Very low30.1Very low173 Ų173150.9 Ų150.991%0.90678%0.78SS**  trans-68.2156.2172.4-56.8163.5000115.4
705P32.3Very low30.2Very low116 Ų116149 Ų14975%0.75377%0.773SS**  trans-141.1-169.7147.944.4-28.6000112.6
706P38.3Very low30.4Very low113 Ų113151.4 Ų151.473%0.73478%0.775SS**  -140.1149.2-81.241.5-23.1000118.3
707I26.2Very low30.4Very low150 Ų150150.4 Ų150.477%0.76977%0.768SS**  30.3138.8125.6-66.6177.2000123
708L26.8Very low30.4Very low158 Ų158154 Ų15483%0.82777%0.766SS**  trans76.3167.4163.5-72.8164.3000118.4
709P47.8Very low30.4Very low105 Ų105148.6 Ų148.668%0.68277%0.765SS**  -141.8178.5-61.941.5-24.2000116
710E23.4Very low30.4Very low196 Ų196145.8 Ų145.892%0.91676%0.762SS**  -173.5177.5126.8-106.9176.8-168.400112.1
711A30.7Very low31.7Very low88 Ų88141 Ų14173%0.72776%0.757SS**  trans-148.1-167.3-156.700000116.4
712E27.6Very low31.6Very low171 Ų171141 Ų14180%0.79976%0.764SS**  trans86.6157.7169.9-59.3-62.810700118
713P51.6Low31.6Very low101 Ų101137.7 Ų137.766%0.65676%0.763SS**  -140.1175.2-69.339.3-21.5000114.7
714D28.4Very low31.7Very low119 Ų119141 Ų14164%0.63677%0.767SS**  177.2154.3113.5-137.1-20.8000116
715R30Very low31.3Very low206 Ų206140.6 Ų140.678%0.77776%0.76SS**  trans49.685.5150.8-85.5160.3-119-125.9-0.6124.8
716V28.3Very low31Very low115 Ų115141.1 Ų141.170%0.69776%0.755SS**  -0.3130.1126.4-152.70000119.5
717F27.2Very low30.6Very low183 Ų183144.1 Ų144.180%0.80376%0.757SS**  -175.8168.6107.7-111.6-85.1000116.8
718K27.2Very low30.7Very low168 Ų168143.4 Ų143.473%0.7376%0.755SS**  trans-97.6159.4-160.6-44.8163.5-172.61760113.5
719S25.7Very low30.7Very low127 Ų127141 Ų14189%0.88875%0.751SS**  165.1177.5118.154.90000114.9
720S25.9Very low29.8Very low110 Ų110140.7 Ų140.777%0.76976%0.757SS**  trans-160.8172.5-173.7-1700000106.9
721P53.2Low30.1Very low97 Ų97137.8 Ų137.863%0.6375%0.753SS**  cis-131.8-159.1-7.621.85.9000113.7
722H26.2Very low30.1Very low183 Ų183140.8 Ų140.885%0.84775%0.754SS**  trans92.8160.2143.2-83.6-45000124.5
723A26Very low30.6Very low85 Ų85137.9 Ų137.970%0.70275%0.747SS**  trans71.5126.1171.400000117.6
724K28.6Very low29.6Very low198 Ų198138.9 Ų138.986%0.86175%0.754SS**  63.5131.965-67-179178.6178.30111.3
725Q26.7Very low29.8Very low163 Ų163138.4 Ų138.476%0.76276%0.757SS**  cis-168.217432.7-137.5-179.3-1400112.6
726I26.3Very low30.8Very low127 Ų127133.6 Ų133.665%0.65175%0.753SS**  trans78.5108.2147.8-71.6163.3000121.8
727K29.7Very low30.8Very low177 Ų177134.7 Ų134.777%0.7775%0.753SS**  64.1137.5129.2-65.9-170.6179.9-175.70125.5
728N26.8Very low30.8Very low135 Ų135134 Ų13472%0.72275%0.753SS**  trans82.8112.1135.4-74.126.5000123.1
729S27Very low31Very low107 Ų107132.4 Ų132.475%0.74875%0.751SS**  63.9151.9124.471.20000124
730A28.8Very low31.2Very low98 Ų98133.7 Ų133.781%0.8175%0.747SS**  trans94151.814800000119.6
731V30.7Very low31.2Very low136 Ų136132 Ų13282%0.82475%0.747SS**  trans-110.7151.9-171.1-170.40000108.6
732M30.2Very low30.1Very low151 Ų151137.3 Ų137.374%0.74476%0.76SS**  trans140.6136.2132.2-75.2-163.471.900116.1
733T37.8Very low30Very low109 Ų109131.7 Ų131.767%0.66975%0.751SS**  trans64.4157.2152.554.30000118.9
734P31.5Very low30.1Very low123 Ų123135.4 Ų135.480%0.79976%0.76SS**  -13915997.439-27.9000115.3
735P33Very low30Very low108 Ų108135.1 Ų135.170%0.70175%0.753SS**  trans-112.8-140.8163.730.6-11000112.1
736P49.3Very low29.9Very low105 Ų105133.8 Ų133.868%0.68275%0.747SS**  -101.3-171.5-107.328.2-7000114.2
737I29.1Very low29.9Very low138 Ų138135.4 Ų135.471%0.70876%0.756SS**  -170.4154.363.1-78.4180000113.1
738H27.7Very low29.6Very low170 Ų170135.4 Ų135.479%0.78776%0.758SS**  trans-30.8-173.8163.4-51.7-94.3000120
739I30.2Very low30.1Very low134 Ų134133.5 Ų133.569%0.68775%0.753SS**  cis-164.2140.243.6-61.3171.7000114.7
740N29.8Very low30Very low154 Ų154136.3 Ų136.382%0.82476%0.759SS**  trans60.5161.3155.7-68.3-17000122.3
741G26.4Very low29.6Very low73 Ų73135.8 Ų135.875%0.75376%0.755SS**  cis-151.6-153.71600000118.9
742K29.4Very low30.2Very low209 Ų209134.4 Ų134.491%0.90975%0.749SS**  trans-109154.9-149-53.3174-179.9176.80116.6
743G25.5Very low29.8Very low65 Ų65135.5 Ų135.567%0.6775%0.752SS**  137.9120121.600000120.3
744N27.1Very low29.1Very low164 Ų164134.9 Ų134.988%0.87775%0.752SS**  trans61.3163.3145.9-67.4-5000120.1
745R26.9Very low28.7Very low192 Ų192137.7 Ų137.773%0.72575%0.752SS**  cis-172.9147.1-29.2172.5173.5165.8-176.6-9.3108.4
746E25.5Very low28.3Very low134 Ų134139 Ų13963%0.62676%0.758SS**  trans76.2141.6157.3-92.1160.9-162.600124.7
747L26Very low27Very low161 Ų161138.2 Ų138.284%0.84376%0.755SS**  trans88.1138.3141-73165.1000124.8
748H22.1Very low26.8Very low177 Ų177142 Ų14282%0.81976%0.762SS**  trans-72.5-175.1162.1-107.9-79.5000111.2
749P37.9Very low26.7Very low95 Ų95138 Ų13862%0.61775%0.754SS**  cis-138.2-158.9-1.922.65.8000114.6
750L24.1Very low26.4Very low167 Ų167139.6 Ų139.687%0.87476%0.758SS**  trans98.2152.3150.2-57.3177.2000121
751A21.9Very low26.3Very low87 Ų87139.9 Ų139.972%0.71976%0.758SS**  trans-153.4-175.9171.400000106.2
752P41.9Very low26.2Very low106 Ų106141.1 Ų141.169%0.68876%0.756SS**  cis-126.8-164.7-15.232.8-10.7000112.3
753E23Very low26.1Very low175 Ų175140 Ų14082%0.81875%0.753SS**  trans67168.5165.6-58.2-169.5-168.400115.4
754S22.7Very low26.2Very low95 Ų95142 Ų14266%0.66476%0.757SS**  cis-165.9168-16.742.10000107.9
755F23.2Very low26.1Very low183 Ų183142.6 Ų142.680%0.80376%0.758SS**  cis-160.5148.8-19.7-119.1-58.6000109.7
756T23.7Very low26Very low135 Ų135138 Ų13883%0.82876%0.755SS**  trans6516416768.70000117
757S22.6Very low26.2Very low89 Ų89136.4 Ų136.462%0.62276%0.76SS**  cis-155.7159.515.874.60000113.8
758Y25.2Very low26.2Very low216 Ų216137.2 Ų137.285%0.84776%0.759SS**  trans51.1149.9164.9-66.2-87.3000120.5
759S24.7Very low26.4Very low88 Ų88135.9 Ų135.962%0.61576%0.757SS**  cis-172.5173.8-27.854.50000111.8
760H25.2Very low25.9Very low166 Ų166138 Ų13877%0.76976%0.763SS**  trans86.8133.3156.4-90.5-80.5000123.1
761L26.9Very low26.1Very low160 Ų160135.2 Ų135.284%0.83876%0.758SS**  trans87.1149.3153.2-66.6165.4000120.8
762S25.1Very low26.3Very low100 Ų100136.5 Ų136.570%0.69976%0.762SS**  trans-167.8131.9-153.257.40000114.2
763H26.6Very low26.2Very low184 Ų184137.8 Ų137.885%0.85277%0.77SS**  trans-155.2129.3154.3-79.6-71000106.5
764S26.9Very low26.4Very low108 Ų108138.9 Ų138.976%0.75578%0.775SS**  54.2127.779.1-58.30000112.5
765I25.3Very low26.9Very low176 Ų176139.3 Ų139.390%0.90378%0.778SS**  -147.9177.659.7-82.7168.4000111.9
766S24.9Very low27.3Very low95 Ų95135.7 Ų135.766%0.66478%0.776SS**  trans-120.4152.1-167.7179.50000114.7
767S30Very low27.6Very low102 Ų102138.8 Ų138.871%0.71378%0.78SS**  trans50.6140143.1600000122.9
768Q25.3Very low28.1Very low178 Ų178139.6 Ų139.683%0.83279%0.793SS**  -162.4169.3127.8-118.2175.77.300113.7
769L27Very low28.1Very low148 Ų148133 Ų13378%0.77579%0.79SS**  trans73.8141.4172.2-48.7-178.5000119.2
770D26.9Very low28.3Very low140 Ų140132.8 Ų132.875%0.74980%0.802SS**  cis-161.9178.2-43.8-128.6-47.6000111.3
771S28.9Very low28.6Very low108 Ų108132.2 Ų132.276%0.75580%0.804SS**  trans-146.6142.5171.8-69.50000114.2
772S27.1Very low29Very low115 Ų115132.7 Ų132.780%0.80480%0.804SS**  trans13.7125167.7-54.70000120.9
773P39Very low29.5Very low133 Ų133134 Ų13486%0.86481%0.809SS**  trans-88.5119.9163.634.2-29.1000112.1
774E26.8Very low30.6Very low197 Ų197131.3 Ų131.392%0.92180%0.799SS**  trans-150.9139149-149.4163.8-134.200108.2
775S34.2Very low32.3Very low105 Ų105128.7 Ų128.773%0.73478%0.781SS**  trans-115119.7-149.558.20000115.9
776S31.1Very low33.3Very low107 Ų107130.2 Ų130.275%0.74878%0.775SS**  trans52.9130.2137.163.90000121.4
777E28.8Very low34.7Very low199 Ų199131 Ų13193%0.9377%0.772SS**  -143.9170.9108.5-123.2-179.5-162.200112
778A33.2Very low35.9Very low107 Ų107130.7 Ų130.788%0.88476%0.759SS**  trans-83.1154.2-148.300000117.5
779G25.5Very low37.2Very low76 Ų76131.3 Ų131.378%0.78475%0.754SS**  trans-173.767.1175.500000116.1
780G29.9Very low38.4Very low84 Ų84129.5 Ų129.587%0.86674%0.742SS**  trans22.195.3165.700000119.8
781D31.4Very low40Very low154 Ų154129.7 Ų129.782%0.82474%0.738SS**  trans-80127.4-179-164.811.8000113.2
782M34.1Very low41.6Very low170 Ų170129.6 Ų129.684%0.83773%0.728SS**  trans-101105.8179.7-144.6-174.583.200109.3I784M782-I784 PolarHBondContact O-N 3.32Å
783T37.5Very low42.9Very low129 Ų129129.7 Ų129.779%0.79172%0.719SS**  trans-68.5104.4-167.945.90000113.1S785T783-S785 PolarHBondContact O-N 3.13Å
784I48Very low43.8Very low126 Ų126129.7 Ų129.765%0.64671%0.705SS**  trans-52.8132.5177.8-65.1174.9000111M782 E788M782-I784 PolarHBondContact O-N 3.32Å; I784-E788 HydrophobicContact CG2-CB 3.81Å
785S62.7Low45.4Very low54 Ų54121.8 Ų121.838%0.37868%0.677SS.*  trans-65.9146.6-171.8-177.30000112.8T783 N787 E788 R789T783-S785 PolarHBondContact O-N 3.13Å; S785-N787 PolarHBondContact O-N 3.45Å; S785-N787 VanDerWaalsContact O-N 3.09Å; S785-N787 PolarHBondContact OG-N 3.26Å; S785-E788 WeakPolarHBondContact CA-OE2 3.49Å; S785-E788 WeakPolarHBondContact CB-OE2 3.46Å; S785-E788 PolarHBondContact N-OE2 3.49Å; S785-E788 PolarHBondContact O-N 3.03Å; S785-R789 PolarHBondContact O-N 3.41Å
786R46.1Very low46.5Very low208 Ų208120.8 Ų120.879%0.78567%0.666SS**Hα-helixtrans-54.5-28.9171.3-169.9176.2-177.8179.60.5112.2Q790R786-Q790 PolarHBondContact O-N 3.16Å
787N54.2Low47.6Very low111 Ų111122 Ų12259%0.59466%0.66SS**Hα-helixtrans-73.2-42.2177-68.8-9.3000112.1S785 Q790 Q791S785-N787 PolarHBondContact O-N 3.45Å; S785-N787 VanDerWaalsContact O-N 3.09Å; S785-N787 PolarHBondContact OG-N 3.26Å; N787-Q790 PolarHBondContact O-N 2.87Å; N787-Q791 PolarHBondContact O-N 2.98Å
788E56Low49Very low95 Ų95116.9 Ų116.944%0.44464%0.639SS.*Hα-helixtrans-64.4-42.6175.9-65.2169.3108.800110.4I784 S785 Q790 Q791 I792I784-E788 HydrophobicContact CG2-CB 3.81Å; S785-E788 WeakPolarHBondContact CA-OE2 3.49Å; S785-E788 WeakPolarHBondContact CB-OE2 3.46Å; S785-E788 PolarHBondContact N-OE2 3.49Å; S785-E788 PolarHBondContact O-N 3.03Å; E788-Q790 VanDerWaalsContact C-N 3.25Å; E788-Q790 PolarHBondContact O-N 3.32Å; E788-Q791 PolarHBondContact O-N 2.86Å; E788-I792 WeakPolarHBondContact O-CG1 3.47Å; E788-I792 PolarHBondContact O-N 3.41Å
789R51.9Low50.4Low192 Ų192117.3 Ų117.373%0.72563%0.625SS**Hα-helixtrans-60.5-32.8174.7-158174.3-172.5-176.63.3112.7S785 L793S785-R789 PolarHBondContact O-N 3.41Å; R789-L793 PolarHBondContact O-N 3.47Å
790Q53.6Low51.9Low110 Ų110117.9 Ų117.951%0.51461%0.613SS.*Hα-helixtrans-74.6-37171.2-80.9-165.5-10.100113.5R786 N787 E788 L793 K794R786-Q790 PolarHBondContact O-N 3.16Å; N787-Q790 PolarHBondContact O-N 2.87Å; E788-Q790 VanDerWaalsContact C-N 3.25Å; E788-Q790 PolarHBondContact O-N 3.32Å; Q790-L793 PolarHBondContact O-N 2.96Å; Q790-K794 WeakPolarHBondContact O-CG 3.41Å; Q790-K794 PolarHBondContact O-N 3.47Å
791Q59.7Low53.4Low144 Ų144118.4 Ų118.467%0.67360%0.599SS**Hα-helixtrans-63-42.9173.9-76.9-176.8-19.300111.4N787 E788 L793 K794 G795N787-Q791 PolarHBondContact O-N 2.98Å; E788-Q791 PolarHBondContact O-N 2.86Å; Q791-L793 PolarHBondContact O-N 3.01Å; Q791-K794 PolarHBondContact O-N 3.3Å; Q791-G795 PolarHBondContact O-N 3.03Å
792I62.4Low55Low106 Ų106117.7 Ų117.754%0.54459%0.589SS.*Hα-helixtrans-58.1-47.6175.1-67.7164.9000110.6E788 K794 G795 V796E788-I792 WeakPolarHBondContact O-CG1 3.47Å; E788-I792 PolarHBondContact O-N 3.41Å; I792-K794 PolarHBondContact O-N 3.18Å; I792-G795 PolarHBondContact O-N 3.16Å; I792-G795 VanDerWaalsContact O-N 3.16Å; I792-V796 WeakPolarHBondContact O-CG2 3.49Å; I792-V796 PolarHBondContact O-N 3.04Å
793L54.5Low56Low117 Ų117111.3 Ų111.361%0.61356%0.564SS**Hα-helixtrans-60.4-44.4177.7-124.780000112.7R789 Q790 Q791 G795 V796 Q797R789-L793 PolarHBondContact O-N 3.47Å; Q790-L793 PolarHBondContact O-N 2.96Å; Q791-L793 PolarHBondContact O-N 3.01Å; L793-G795 VanDerWaalsContact C-N 3.3Å; L793-G795 PolarHBondContact O-N 3.08Å; L793-V796 PolarHBondContact O-N 3.4Å; L793-Q797 PolarHBondContact O-N 2.93Å; L793-Q797 VanDerWaalsContact O-N 3.08Å
794K58.4Low57Low132 Ų132107.6 Ų107.657%0.57455%0.545SS*.Hα-helixtrans-65.7-32.7175.9-74.6179.5176.3177.80112.2Q790 Q791 I792 N798Q790-K794 WeakPolarHBondContact O-CG 3.41Å; Q790-K794 PolarHBondContact O-N 3.47Å; Q791-K794 PolarHBondContact O-N 3.3Å; I792-K794 PolarHBondContact O-N 3.18Å; K794-N798 WeakPolarHBondContact O-CB 3.37Å; K794-N798 PolarHBondContact O-N 3.26Å; K794-N798 VanDerWaalsContact O-N 3.16Å; K794-N798 PolarHBondContact O-ND2 3.47Å
795G59.3Low57.5Low32 Ų32111.1 Ų111.133%0.3355%0.551SS.*Hα-helixtrans-63.2-50.8171.900000112Q791 I792 L793 Q797 N798 I799Q791-G795 PolarHBondContact O-N 3.03Å; I792-G795 PolarHBondContact O-N 3.16Å; I792-G795 VanDerWaalsContact O-N 3.16Å; L793-G795 VanDerWaalsContact C-N 3.3Å; L793-G795 PolarHBondContact O-N 3.08Å; G795-Q797 PolarHBondContact O-N 3.33Å; G795-N798 WeakPolarHBondContact O-CB 3.3Å; G795-N798 PolarHBondContact O-N 2.98Å; G795-I799 WeakPolarHBondContact O-CG1 3.29Å; G795-I799 PolarHBondContact O-N 2.96Å
796V59.2Low57.5Low83 Ų83118.1 Ų118.150%0.50357%0.569SS.*Hα-helixtrans-59.9-46.2179.2173.40000111.7I792 L793 N798 I799 V800I792-V796 WeakPolarHBondContact O-CG2 3.49Å; I792-V796 PolarHBondContact O-N 3.04Å; L793-V796 PolarHBondContact O-N 3.4Å; V796-N798 VanDerWaalsContact C-N 3.34Å; V796-N798 PolarHBondContact O-N 3.12Å; V796-I799 PolarHBondContact O-N 3.36Å; V796-I799 VanDerWaalsContact O-N 3.16Å; V796-V800 WeakPolarHBondContact O-CG2 3.42Å; V796-V800 PolarHBondContact O-N 3.5Å
797Q53.4Low58Low133 Ų133116.1 Ų116.162%0.62156%0.561SS**Hα-helixtrans-60.1-42.2175.5-76.6-174.8-3100112.4L793 G795 I799 V800 V801L793-Q797 PolarHBondContact O-N 2.93Å; L793-Q797 VanDerWaalsContact O-N 3.08Å; G795-Q797 PolarHBondContact O-N 3.33Å; Q797-I799 VanDerWaalsContact C-N 3.32Å; Q797-I799 PolarHBondContact O-N 2.88Å; Q797-V800 PolarHBondContact O-N 3.22Å; Q797-V801 WeakPolarHBondContact O-CG2 3.48Å; Q797-V801 PolarHBondContact O-N 3.1Å
798N57.2Low58.2Low92 Ų92114.3 Ų114.349%0.49256%0.557SS.*Hα-helixtrans-63.1-35.4175.6-90.1-78.8000113.1K794 G795 V796 K802K794-N798 WeakPolarHBondContact O-CB 3.37Å; K794-N798 PolarHBondContact O-N 3.26Å; K794-N798 VanDerWaalsContact O-N 3.16Å; K794-N798 PolarHBondContact O-ND2 3.47Å; G795-N798 WeakPolarHBondContact O-CB 3.3Å; G795-N798 PolarHBondContact O-N 2.98Å; V796-N798 VanDerWaalsContact C-N 3.34Å; V796-N798 PolarHBondContact O-N 3.12Å; N798-K802 WeakPolarHBondContact O-CB 3.49Å; N798-K802 VanDerWaalsContact O-CG 3.26Å; N798-K802 WeakPolarHBondContact O-CG 3.43Å; N798-K802 PolarHBondContact O-N 3.46Å
799I64Low58.1Low116 Ų116116.8 Ų116.860%0.59557%0.567SS**Hα-helixtrans-66.4-45.4175.5-68.8163.1000110.4G795 V796 Q797 V801 K802 A803G795-I799 WeakPolarHBondContact O-CG1 3.29Å; G795-I799 PolarHBondContact O-N 2.96Å; V796-I799 PolarHBondContact O-N 3.36Å; V796-I799 VanDerWaalsContact O-N 3.16Å; Q797-I799 VanDerWaalsContact C-N 3.32Å; Q797-I799 PolarHBondContact O-N 2.88Å; I799-V801 PolarHBondContact O-N 2.87Å; I799-K802 PolarHBondContact O-N 3.27Å; I799-A803 WeakPolarHBondContact O-CB 3.41Å; I799-A803 PolarHBondContact O-N 3.16Å
800V56.4Low58.2Low87 Ų87110.4 Ų110.453%0.52756%0.555SS.*Hα-helixtrans-61-45.6177.5174.20000111.4V796 Q797 A803 A804V796-V800 WeakPolarHBondContact O-CG2 3.42Å; V796-V800 PolarHBondContact O-N 3.5Å; Q797-V800 PolarHBondContact O-N 3.22Å; V800-A803 PolarHBondContact O-N 3.08Å; V800-A804 PolarHBondContact O-N 3.26Å
801V61.5Low58Low95 Ų95111 Ų11158%0.57656%0.561SS**Hα-helixtrans-63.9-43177.1173.10000111.5Q797 I799 A803 A804 R805Q797-V801 WeakPolarHBondContact O-CG2 3.48Å; Q797-V801 PolarHBondContact O-N 3.1Å; I799-V801 PolarHBondContact O-N 2.87Å; V801-A803 VanDerWaalsContact C-N 3.33Å; V801-A803 PolarHBondContact O-N 3.33Å; V801-A804 PolarHBondContact O-N 3.32Å; V801-R805 WeakPolarHBondContact O-CB 3.4Å; V801-R805 PolarHBondContact O-N 3.21Å
802K65.2Low57.2Low139 Ų139109.7 Ų109.760%0.60456%0.555SS**Hα-helixtrans-62.9-37.6174.8-75.4173.4-179.2178.70112.1N798 I799 R806N798-K802 WeakPolarHBondContact O-CB 3.49Å; N798-K802 VanDerWaalsContact O-CG 3.26Å; N798-K802 WeakPolarHBondContact O-CG 3.43Å; N798-K802 PolarHBondContact O-N 3.46Å; I799-K802 PolarHBondContact O-N 3.27Å; K802-R806 WeakPolarHBondContact O-CB 3.43Å; K802-R806 WeakPolarHBondContact O-CG 3.47Å; K802-R806 PolarHBondContact O-N 2.84Å
803A54.9Low56.4Low37 Ų37108.7 Ų108.731%0.30655%0.553SS.*Hα-helixtrans-69.8-39.3176.200000112.9I799 V800 V801 R807I799-A803 WeakPolarHBondContact O-CB 3.41Å; I799-A803 PolarHBondContact O-N 3.16Å; V800-A803 PolarHBondContact O-N 3.08Å; V801-A803 VanDerWaalsContact C-N 3.33Å; V801-A803 PolarHBondContact O-N 3.33Å; A803-R807 PolarHBondContact O-N 2.83Å; A803-R807 VanDerWaalsContact O-N 3.13Å; A803-R807 PolarHBondContact O-NE 3.17Å
804A58.2Low55.8Low50 Ų50108.3 Ų108.341%0.41355%0.552SS.*Hα-helixtrans-62.3-49.3172.600000111.5V800 V801 R806 R807 S808V800-A804 PolarHBondContact O-N 3.26Å; V801-A804 PolarHBondContact O-N 3.32Å; A804-R806 VanDerWaalsContact C-N 3.32Å; A804-R806 PolarHBondContact O-N 3.5Å; A804-R807 PolarHBondContact O-N 3.09Å; A804-R807 VanDerWaalsContact O-N 3.12Å; A804-S808 PolarHBondContact O-N 3.39Å
805R58.6Low54.9Low200 Ų200107.5 Ų107.576%0.75556%0.558SS**Hα-helixtrans-64.4-33.7-179.5-146.2173.7-167.3-176.94.2112.7V801 K809V801-R805 WeakPolarHBondContact O-CB 3.4Å; V801-R805 PolarHBondContact O-N 3.21Å; R805-K809 PolarHBondContact O-N 3.26Å; R805-K809 VanDerWaalsContact O-N 3.12Å
806R62.1Low54.1Low202 Ų202113.2 Ų113.276%0.76258%0.58SS**Hα-helixtrans-66.2-40.4171.5-79.5178.3174.6-175.8-2.2113K802 A804 K809 A810K802-R806 WeakPolarHBondContact O-CB 3.43Å; K802-R806 WeakPolarHBondContact O-CG 3.47Å; K802-R806 PolarHBondContact O-N 2.84Å; A804-R806 VanDerWaalsContact C-N 3.32Å; A804-R806 PolarHBondContact O-N 3.5Å; R806-K809 PolarHBondContact O-N 3.4Å; R806-A810 PolarHBondContact O-N 3.12Å; R806-A810 VanDerWaalsContact O-N 3.09Å
807R56.4Low53.3Low165 Ų165118.9 Ų118.962%0.62359%0.593SS**Hα-helixtrans-65.6-41.6175.1-77.7178.7-74.8-146.52.6112.1A803 A804 K809 A810 L811A803-R807 PolarHBondContact O-N 2.83Å; A803-R807 VanDerWaalsContact O-N 3.13Å; A803-R807 PolarHBondContact O-NE 3.17Å; A804-R807 PolarHBondContact O-N 3.09Å; A804-R807 VanDerWaalsContact O-N 3.12Å; R807-K809 VanDerWaalsContact C-N 3.35Å; R807-K809 PolarHBondContact O-N 3.45Å; R807-A810 PolarHBondContact O-N 3Å; R807-L811 PolarHBondContact O-N 3.36Å
808S58.5Low52.6Low73 Ų73119.6 Ų119.651%0.5160%0.6SS.*Hα-helixtrans-58.7-45.6173.9-159.50000112A804 A810 L811 E812A804-S808 PolarHBondContact O-N 3.39Å; S808-A810 VanDerWaalsContact C-N 3.31Å; S808-A810 PolarHBondContact O-N 3.12Å; S808-L811 PolarHBondContact O-N 2.89Å; S808-E812 PolarHBondContact O-N 2.85Å
809K53.7Low51.6Low148 Ų148121.1 Ų121.164%0.64362%0.615SS**Hα-helixtrans-69.9-22.6179.6-116.5-170177.8-165.90114.7R805 R806 R807 E812 V813R805-K809 PolarHBondContact O-N 3.26Å; R805-K809 VanDerWaalsContact O-N 3.12Å; R806-K809 PolarHBondContact O-N 3.4Å; R807-K809 VanDerWaalsContact C-N 3.35Å; R807-K809 PolarHBondContact O-N 3.45Å; K809-E812 WeakPolarHBondContact CG-OE2 3.46Å; K809-V813 WeakPolarHBondContact O-CG2 3.5Å
810A54.5Low50.2Low58 Ų58120.5 Ų120.548%0.47963%0.627SS.*Hα-helixtrans-70.6-40.7172.600000111.1R806 R807 S808 E812 V813R806-A810 PolarHBondContact O-N 3.12Å; R806-A810 VanDerWaalsContact O-N 3.09Å; R807-A810 PolarHBondContact O-N 3Å; S808-A810 VanDerWaalsContact C-N 3.31Å; S808-A810 PolarHBondContact O-N 3.12Å; A810-E812 PolarHBondContact O-N 3.35Å; A810-V813 PolarHBondContact O-N 2.95Å
811L49.8Very low49.3Very low123 Ų123120.4 Ų120.464%0.64464%0.635SS**Hα-helixtrans-67.4-34.5179.2-67.4166.1000112.7R807 S808 V813 D814 V815R807-L811 PolarHBondContact O-N 3.36Å; S808-L811 PolarHBondContact O-N 2.89Å; L811-V813 PolarHBondContact O-N 3.12Å; L811-D814 PolarHBondContact O-N 3.2Å; L811-V815 WeakPolarHBondContact O-CG2 3.2Å
812E42.1Very low48.2Very low116 Ų116122.1 Ų122.154%0.54265%0.648SS.*Hα-helixtrans-60.3-30.7173.2-70.3179.5124.600113.1S808 K809 A810S808-E812 PolarHBondContact O-N 2.85Å; K809-E812 WeakPolarHBondContact CG-OE2 3.46Å; A810-E812 PolarHBondContact O-N 3.35Å
813V46.4Very low46.8Very low84 Ų84120.6 Ų120.651%0.50966%0.655SS.*Hα-helixtrans-76.9-33.4-175.8172.40000112.4K809 A810 L811K809-V813 WeakPolarHBondContact O-CG2 3.5Å; A810-V813 PolarHBondContact O-N 2.95Å; L811-V813 PolarHBondContact O-N 3.12Å
814D41.5Very low46Very low110 Ų110124.9 Ų124.959%0.58868%0.68SS**Hα-helixtrans-77.1-26.3178.6-77.7-31.3000113L811 L816 R817L811-D814 PolarHBondContact O-N 3.2Å; D814-L816 VanDerWaalsContact C-N 3.26Å; D814-L816 PolarHBondContact O-N 3.43Å; D814-R817 PolarHBondContact O-N 3.36Å
815V40.4Very low44.8Very low114 Ų114130.9 Ų130.969%0.69170%0.704SS**Hα-helixtrans-65.3-29.2175.4174.70000112L811 R817L811-V815 WeakPolarHBondContact O-CG2 3.2Å; V815-R817 PolarHBondContact O-N 3.48Å
816L41.2Very low43.5Very low153 Ų153128.8 Ų128.880%0.80171%0.708SS**THydrogen-bonded Turntrans-81.515.1-178.6-67.6172.6000114.5D814D814-L816 VanDerWaalsContact C-N 3.26Å; D814-L816 PolarHBondContact O-N 3.43Å
817R43.6Very low42Very low202 Ų202127.2 Ų127.276%0.76271%0.709SS**THydrogen-bonded Turntrans-125.715.5-175.2-77.7-174.4166.5179.5-2.7116D814 V815D814-R817 PolarHBondContact O-N 3.36Å; V815-R817 PolarHBondContact O-N 3.48Å
818L38.1Very low40.7Very low148 Ų148129 Ų12978%0.77572%0.721SS**SBendtrans-113.4135.7173.3-66.6173.8000111.5
819P36.8Very low39.3Very low123 Ų123134.5 Ų134.580%0.79974%0.736SS**PPolyproline II helixtrans-70.5145.917030.8-33.6000110.4
820A34.9Very low38.1Very low103 Ų103135 Ų13585%0.85174%0.741SS**PPolyproline II helixtrans-67.5140.8-173.500000113.3
821A36.3Very low36.9Very low86 Ų86140.4 Ų140.471%0.71175%0.753SS**PPolyproline II helixtrans-77.7149.716500000110.6
822P38.1Very low36Very low130 Ų130139 Ų13984%0.84475%0.754SS**PPolyproline II helixtrans-74.2133.4179.130-34.2000112.1
823S36.2Very low35.4Very low108 Ų108140 Ų14076%0.75576%0.763SS**PPolyproline II helixtrans-72151.4172.4-61.40000112.1
824P39Very low34.7Very low126 Ų126143.4 Ų143.482%0.81878%0.777SS**PPolyproline II helixtrans-73.4151.7-17830.7-36000113
825L33.4Very low34.2Very low176 Ų176142.9 Ų142.992%0.92178%0.782SS**  trans-109.3140.8165.9-78172.9000110.1
826D29.7Very low33.7Very low157 Ų157145 Ų14584%0.8479%0.789SS**  trans-92.1160.6-172.9-161.70.5000112.6
827H30.6Very low33.2Very low169 Ų169144.1 Ų144.178%0.78278%0.783SS**  trans-81.8125.5-168.3-68.6-81.8000114.4
828K30.2Very low32.5Very low203 Ų203143.4 Ų143.488%0.88379%0.789SS**  trans-164.2146.3142.5-108.5139.8-169.8164.20114.6
829K29.3Very low32.2Very low187 Ų187139.7 Ų139.781%0.81379%0.786SS**  trans72.697.6166.3-65-176.1178-1800119.9
830Q28.3Very low32.7Very low159 Ų159139.8 Ų139.874%0.74379%0.787SS**  75.3131118.6-74.9-175.7-11.800122.9
831K29Very low33.6Very low172 Ų172139.8 Ų139.875%0.74878%0.778SS**  trans85.795.3139.9-74.6175.6178.5-175.40121.3
832S31.3Very low33.3Very low94 Ų94147.5 Ų147.566%0.65779%0.789SS**  77.5133.2113.367.70000123.1
833N29.2Very low32.8Very low135 Ų135145.1 Ų145.172%0.72279%0.788SS**  trans81126.4147.7-62.5-0.3000117.8
834L31.4Very low32.6Very low156 Ų156148 Ų14882%0.81780%0.795SS**  66.1141.199.5-57.7171000113.3
835S31.1Very low33Very low99 Ų99147.4 Ų147.469%0.69279%0.79SS**  cis-159.4141.73.331.60000107.9
836L29.1Very low32.9Very low159 Ų159146.3 Ų146.383%0.83279%0.785SS**  57.613797.2-109.7172.4000116.6
837I30.9Very low33Very low134 Ų134149.2 Ų149.269%0.68778%0.784SS**  trans98.6110.3157.1-62.3169.7000120.1
838E30.5Very low32.9Very low187 Ų187152.2 Ų152.287%0.87479%0.788SS**  trans41.1149.1133-51.4178.2146.800125.1
839G30.6Very low32.7Very low70 Ų70145.8 Ų145.872%0.72278%0.78SS**  122.9113.1129.100000119.5
840P48.5Very low32.6Very low125 Ų125149.2 Ų149.281%0.81279%0.788SS**  trans-91.9-171.4160.942.2-36.7000110.2
841P52.2Low32.9Very low103 Ų103149.4 Ų149.467%0.66979%0.788SS**  cis-149-170.61346.9-26.9000118.3
842R31.1Very low33.2Very low248 Ų248146.6 Ų146.694%0.93679%0.788SS**  trans71.2134.5156.9-66.8176.3-176.9-162.40.3119.8
843G27.4Very low33.6Very low81 Ų81147 Ų14784%0.83579%0.791SS**  trans152.5108.1157.200000117.5
844L32.8Very low34.5Very low169 Ų169146 Ų14689%0.88579%0.792SS**  trans-124.6146.4157.1-82.6173.4000106.3
845P46.6Very low34.4Very low112 Ų112147.3 Ų147.373%0.72779%0.794SS**  -161.7152.379.840.8-18.9000120.9
846L31.2Very low34.4Very low153 Ų153148.9 Ų148.980%0.80179%0.793SS**  trans66.3150.5138.8-9388.3000126.1
847R31.7Very low34.4Very low218 Ų218153.2 Ų153.282%0.82380%0.799SS**  trans71.9138.1165.7-71178.4174.5-164.3-1.9115.4
848R29Very low34.4Very low233 Ų233154.2 Ų154.288%0.87980%0.8SS**  cis-148.7173.76.8-105.5163.2172.1167.9-4.7107.9
849G25.6Very low34.2Very low68 Ų68149.7 Ų149.770%0.70179%0.794SS**  cis158.5168.3-4.500000113.3
850R27.2Very low34Very low259 Ų259152.5 Ų152.598%0.97780%0.798SS**  trans78.9142.8175.5-105.2-175.7-178.5-174.1-0.3120.2
851Q33.5Very low33.1Very low162 Ų162150.7 Ų150.776%0.75779%0.788SS**  trans-106.1178.4171.8-81.6-100.2-12.400108.5
852P37.3Very low32Very low114 Ų114153 Ų15374%0.7480%0.795SS**  cis-136.7-169.513.543-23.7000116.4
853S38.3Very low31.9Very low102 Ų102147.9 Ų147.971%0.71379%0.786SS**  trans-95-172165.6-36.10000110.5
854P48.6Very low32.3Very low115 Ų115150 Ų15075%0.74778%0.778SS**  cis-144.9-159.118.538.5-12.7000116.8
855E28.2Very low32.1Very low183 Ų183150.2 Ų150.286%0.85578%0.779SS**  trans114.8140152.8-58.2-133.4133.200121.2
856L31.5Very low31.3Very low131 Ų131149.8 Ų149.869%0.68678%0.779SS**  trans-75.1162.2-170.2-72.9134.8000115.4
857R29.5Very low31.1Very low250 Ų250148.1 Ų148.194%0.94378%0.78SS**  trans-134157.8131.2-74.4-159.8171.8-162.4-3111.4
858H30.4Very low31.1Very low156 Ų156143.2 Ų143.272%0.72278%0.779SS**  trans-111.5159.7-174.9-79.7-105000111.7
859A27.5Very low31.3Very low91 Ų91139 Ų13975%0.75278%0.78SS**  trans55.4156.5143.200000118.4
860T26Very low31.5Very low129 Ų129139.1 Ų139.179%0.79178%0.781SS**  cis-140.6-174.631.747.20000114.1
861S29.9Very low31.7Very low87 Ų87136.6 Ų136.661%0.60878%0.78SS**  trans-49.5170.6162.554.10000113.6
862D29.2Very low31.7Very low153 Ų153132.3 Ų132.382%0.81878%0.78SS**  -149.2170.872.1-77-23.7000116.2
863D29.2Very low32.5Very low140 Ų140133.7 Ų133.775%0.74979%0.788SS**  trans-97.3164.3-166.7-93.8-64.9000115.9
864N34.6Very low32Very low125 Ų125132.4 Ų132.467%0.66879%0.792SS**  trans0.5133156-47.9-73.2000121.1
865L28.9Very low31.3Very low173 Ų173134.7 Ų134.791%0.90680%0.797SS**  -154.6142.7127.9-78.8-175.3000108.2
866S29.3Very low31.5Very low103 Ų103134 Ų13472%0.7279%0.793SS**  cis111.1102.18.3-67.20000115.2
867S27.3Very low31.5Very low118 Ų118133 Ų13383%0.82579%0.792SS**  trans-159.7135.7148.456.40000108.3
868S31.2Very low31.6Very low115 Ų115125.9 Ų125.980%0.80478%0.777SS**  cis85.385.713.7-156.40000116.9
869T33Very low31.5Very low145 Ų145129.2 Ų129.289%0.8978%0.783SS**  trans-141.9143.1143.652.40000108
870G30.2Very low31.6Very low70 Ų70129.5 Ų129.572%0.72278%0.776SS**  cis137.9106.3-16.900000114.1
871E32.2Very low31.7Very low206 Ų206134.5 Ų134.596%0.96378%0.78SS**  trans-143.6157.6149.2-74.2-149.7130.200108.6
872G33.2Very low32.8Very low73 Ų73135.1 Ų135.175%0.75378%0.782SS**  trans-120.2-139.7-166.200000114.1
873P54.4Low32.9Very low142 Ų142138.5 Ų138.592%0.92278%0.783SS**  cis-129.8172.97.241.4-25.8000116.3
874G27.8Very low33Very low76 Ų76136.5 Ų136.578%0.78477%0.773SS**  trans-169.7152.2170.400000111.1
875L34.6Very low32.9Very low162 Ų162138.2 Ų138.285%0.84878%0.776SS**  trans-126.2157.1-164.9-77.9163.9000114.2
876H30.9Very low32.9Very low169 Ų169139 Ų13978%0.78278%0.775SS**  trans74.5163.4156.6-85.5-137000118.9
877V32Very low32.9Very low109 Ų109139.2 Ų139.266%0.66178%0.783SS**  cis165.5137.1-30.9139.10000106.7
878T31.5Very low33.1Very low102 Ų102138 Ų13863%0.62678%0.78SS**  cis-170.6162.21.1270000113.5
879W29.1Very low33.1Very low225 Ų225139.7 Ų139.785%0.85278%0.78SS**  trans72.2164.2144.9-75.733000120.6
880T29.8Very low33Very low97 Ų97142.8 Ų142.860%0.59578%0.781SS**  cis-169.2138.2-35.537.40000112.8
881R28.2Very low33.2Very low235 Ų235146.7 Ų146.789%0.88779%0.785SS**  trans58.3176.5143.4-85.5-166.3162-169.5-1.6120.7
882P51.4Low33Very low99 Ų99146.1 Ų146.164%0.64378%0.783SS**  cis-143.5163.8-48.640.7-24.1000117.2
883R32.4Very low33.1Very low224 Ų224148.9 Ų148.985%0.84579%0.785SS**  trans62.6162.4146.2-84.4-168.7155.5164.6-3.5119.5
884N30.9Very low32.7Very low99 Ų99147.1 Ų147.153%0.52977%0.774SS.*  cis-156.4154.3-5.4-1327.5000114
885H32.1Very low32.9Very low161 Ų161153.6 Ų153.675%0.74578%0.775SS**  trans65.3163.6149.5-69.7-37.5000124.5
886H30.2Very low32.6Very low189 Ų189152.7 Ų152.788%0.87577%0.766SS**  trans-110.8157.8-171.1-50.1-98000113.3
887A28.6Very low32.5Very low108 Ų108150.6 Ų150.689%0.89377%0.765SS**  trans-163171.9138.200000109.6
888A32.2Very low32.6Very low92 Ų92151.7 Ų151.776%0.7677%0.767SS**  trans-133.7179.6-165.300000115.6
889N30.4Very low32.7Very low150 Ų150154.5 Ų154.580%0.80277%0.771SS**  trans81.9111.3168.3-64.9-11.5000119.9
890K31.8Very low32.8Very low210 Ų210151.6 Ų151.691%0.91377%0.767SS**  -162.6155.6107.5-105172-177.7178.80111.7
891N34.3Very low32.9Very low152 Ų152150.8 Ų150.881%0.81377%0.769SS**  trans-102.3154.5-177-62.8-13.9000111.9
892Q27.9Very low33.1Very low194 Ų194150.9 Ų150.991%0.90777%0.77SS**  -161.6168.2124.3-108.2168.520.800112.4
893T33.9Very low32Very low131 Ų131157.2 Ų157.280%0.80478%0.781SS**  trans-91.5179.7-168.140.80000111.9
894P45.9Very low32Very low105 Ų105155.2 Ų155.268%0.68278%0.778SS**  cis-145.9170.519.144.5-25.2000120
895R32Very low32Very low213 Ų213159.8 Ų159.880%0.80479%0.793SS**  trans59.1140.8144.4-77.3177.3160.5146.31.7120
896E28.5Very low31.8Very low143 Ų143162.1 Ų162.167%0.66880%0.796SS**  cis-155126.22.9-140143.9-141.700111.8
897V29.8Very low31.7Very low125 Ų125163.2 Ų163.276%0.75879%0.792SS**  trans58.4139.3136.6173.10000120.4
898D34.7Very low31.8Very low132 Ų132163.2 Ų163.271%0.70679%0.786SS**  cis171.7160.3-31.3-103.922.4000107.2
899F32.9Very low31.8Very low161 Ų161169.4 Ų169.471%0.70679%0.789SS**  cis-158.1158.3-25-141.6-119.2000109.9
900E31.5Very low31.7Very low164 Ų164167 Ų16777%0.76678%0.784SS**  trans41.4120.6154.5-82.1-166.2133.700127.8
901A30.5Very low31.7Very low79 Ų79165.6 Ų165.665%0.65378%0.778SS**  88.3119.710900000125.6
902R32.8Very low31.6Very low238 Ų238167.3 Ų167.390%0.89878%0.781SS**  49.3100.4129.5-67.4-175.9166-166.4-0.9122.5
903R29.8Very low31.7Very low232 Ų232163.2 Ų163.288%0.87577%0.769SS**  69.2127.1112.3-148.1-173.2-164.9-179.56.6120.7
904K31.2Very low31.6Very low181 Ų181164.1 Ų164.179%0.78778%0.775SS**  trans96102.6160.2-77.6-176.5178.4173.90119.9
905K30.3Very low30.8Very low195 Ų195162.3 Ų162.385%0.84878%0.775SS**  65.5131.3121.3-100.3-176.6177.4178.60121.8
906R28.5Very low30.7Very low211 Ų211161.8 Ų161.880%0.79678%0.782SS**  trans103106.3141.9-81.7-176.1157.6-174.9-4.7120.2
907R28.2Very low30.7Very low211 Ų211159.8 Ų159.880%0.79679%0.79SS**  69.6129.6125.7-79.7-172.9163.7-168.5-5.8121.2
908S30.1Very low30.8Very low108 Ų108161.7 Ų161.776%0.75580%0.795SS**  trans67.1151.8148.866.10000116.3
909R32.7Very low31.4Very low223 Ų223160.7 Ų160.784%0.84280%0.796SS**  cis-132143.917-80179.6168174-6.8110.1
910S29.6Very low31.3Very low98 Ų98160.9 Ų160.969%0.68580%0.799SS**  79.5127.680.9-46.60000116.1
911F31.1Very low31.3Very low181 Ų181158.7 Ų158.779%0.79480%0.797SS**  trans54.8116.6148.5-87.7-101.1000121.9V913F911-V913 HydrophobicContact CD1-CG2 3.78Å; F911-V913 HydrophobicContact CE1-CG2 4.04Å
912E31.4Very low31.2Very low188 Ų188164.9 Ų164.988%0.87981%0.809SS**  -170.2140102.9-92.5164.1-167.500106.7
913V31.3Very low31.3Very low108 Ų108157.8 Ų157.866%0.65580%0.801SS**  cis90.581.632.7-177.20000114.1F911F911-V913 HydrophobicContact CD1-CG2 3.78Å; F911-V913 HydrophobicContact CE1-CG2 4.04Å
914T30.1Very low31.5Very low150 Ų150153.7 Ų153.792%0.9280%0.795SS**  trans-179.4143.6143.128.50000108.7
915G29.6Very low31.7Very low67 Ų67151.7 Ų151.769%0.69180%0.798SS**  cis179162.9-11.900000113.8
916Q30.5Very low31.9Very low203 Ų203146.9 Ų146.995%0.94980%0.795SS**  trans64.6158.9155.7-64.3-174.2-12.800122.8
917A28.6Very low32.3Very low100 Ų100144.2 Ų144.283%0.82679%0.791SS**  trans78.982.5157.500000121.2
918L32.6Very low32.6Very low166 Ų166143.2 Ų143.287%0.86979%0.787SS**  trans-92.5157132.4-93.4166.8000107.5
919P46.2Very low32.5Very low111 Ų111146.3 Ų146.372%0.72179%0.788SS**  -153.6163.355.742.2-21.2000120.5
920Q30.5Very low32.7Very low164 Ų164145.6 Ų145.677%0.76679%0.785SS**  trans56.5125.4140-74.4-169.3-5.100124.8
921T31.3Very low34.3Very low118 Ų118145.9 Ų145.972%0.72479%0.785SS**  trans67.2129134.961.80000122.6
922K29.1Very low34.5Very low210 Ų210144.7 Ų144.791%0.91379%0.786SS**  -170.9170.6121.9-105165.4-175175.40111.5
923A34.7Very low34.6Very low88 Ų88141.2 Ų141.273%0.72777%0.773SS**  trans-153.7170.1-178.100000113.2
924I35.1Very low34.5Very low147 Ų147140.1 Ų140.175%0.75477%0.77SS**  trans83118.2161.7-40-178.6000119
925T34.6Very low34.9Very low138 Ų138138.9 Ų138.985%0.84776%0.763SS**  trans64.7154.9159.951.10000119.5
926A34.2Very low35.3Very low94 Ų94140 Ų14078%0.77776%0.76SS**  cis-150.4-169.725.200000116.2
927Q36.6Very low35.4Very low156 Ų156136.4 Ų136.473%0.72975%0.747SS**  trans-55.3167.3-177-49.7175.8-1.500115
928R34Very low36.5Very low189 Ų189136.8 Ų136.871%0.71374%0.741SS**  cis-158.1-162.937.6-127.6151.5-152.6-150.2-0.2108.7
929F29.5Very low36.6Very low174 Ų174136 Ų13676%0.76373%0.732SS**  cis-147.1-123.810.1-138.7-36.8000113.8
930R36.7Very low36.1Very low208 Ų208136.7 Ų136.779%0.78573%0.73SS**  trans-170.8-175.2-168.7-108.9-161.9-169.1-154.17.6109.9D933R930-D933 IonicContact NH1-OD1 3.06Å
931P62.8Low36.1Very low104 Ų104136.1 Ų136.168%0.67573%0.727SS**  cis-131-175.7940.8-22.9000117.3
932L34.5Very low36.1Very low156 Ų156136 Ų13682%0.81773%0.725SS**  trans95.8148.5-177.3-53.8177.1000114.7
933D33.4Very low36Very low114 Ų114133.7 Ų133.761%0.6172%0.723SS**  cis160.7169.2-47.5-93.456.2000108R930R930-D933 IonicContact NH1-OD1 3.06Å
934S29.7Very low35.5Very low85 Ų85133.4 Ų133.459%0.59473%0.729SS**  cis-178.6169-18.9-89.50000106.1
935T38.9Very low35Very low125 Ų125135.4 Ų135.477%0.76774%0.735SS**  cis-175.4159.6-2.8250000106.4
936S39Very low36.2Very low90 Ų90133.6 Ų133.663%0.62973%0.725SS**  cis179.4153.2-21.550.20000109.9
937D30.7Very low35.8Very low128 Ų128138.1 Ų138.168%0.68473%0.731SS**  trans70.5171.2150.2-92.5-59.3000119.7
938P52.6Low35.5Very low107 Ų107134.9 Ų134.970%0.69573%0.73SS**  cis-13515218.941.4-22.7000121.1
939H35.4Very low36.9Very low149 Ų149131.5 Ų131.569%0.6973%0.733SS**  trans39.8153.3131.9-59.9-40000123.9
940L35.3Very low36.8Very low127 Ų127129 Ų12967%0.66573%0.732SS**  cis-171.8169.5-15.3-111.7172000113.3
941H29.9Very low36.3Very low152 Ų152124.5 Ų124.570%0.70473%0.727SS**  trans76.6108.4150.3-78.2-59.9000126.6
942V30.4Very low34.8Very low114 Ų114130.6 Ų130.669%0.69174%0.736SS**  65.9126.2111.9173.30000124.7
943N27.6Very low35.6Very low162 Ų162128.4 Ų128.487%0.86673%0.731SS**  trans56.9135.1153.7-70.1-4.3000123.7
944G24.6Very low35.5Very low82 Ų82131.3 Ų131.385%0.84574%0.741SS**  trans162.7129.6156.500000117.6
945Q24.4Very low35.7Very low190 Ų190137.8 Ų137.889%0.88875%0.754SS**  trans-110.8172.1159.3-98-166.7-3.600108.1
946P60.4Low35.2Very low99 Ų99143.8 Ų143.864%0.64376%0.763SS**  cis-134.7-159.5-34.734.7-13.8000111.6
947Q24.7Very low34.4Very low190 Ų190143 Ų14389%0.88877%0.769SS**  trans78.7160164-63.7179.614.400119.8
948A31.6Very low34.7Very low88 Ų88143.9 Ų143.973%0.72778%0.779SS**  trans-116.5-158.6176.200000108
949P61.8Low34.7Very low117 Ų117144.3 Ų144.376%0.7678%0.782SS**  cis-134-145.6-8.926.21.2000112.8
950V28.1Very low35.9Very low122 Ų122142 Ų14274%0.73978%0.779SS**  trans104.998.9149.3178.40000121.7
951V27.1Very low35.9Very low113 Ų113143.8 Ų143.869%0.68579%0.788SS**  65.7109.6123.9-178.70000124.2
952R30.4Very low36Very low233 Ų233140 Ų14088%0.87978%0.783SS**  trans59.5-173.6139.3-65.2-179.1176.7175.7-2.5117.9
953P51.7Low36.2Very low109 Ų109144.2 Ų144.271%0.70879%0.792SS**  cis-132.4169.6-11.7188.4000118.5
954Q32Very low36.2Very low175 Ų175143.2 Ų143.282%0.81879%0.792SS**  trans60.4118.4143-71.1179.427.100125.5
955Y32.3Very low36.3Very low222 Ų222150 Ų15087%0.87179%0.792SS**  55.1154.8123.6-90.6-85000125.7
956R28.3Very low37.8Very low251 Ų251144.9 Ų144.995%0.94778%0.775SS**  trans73.6148.1180-64.8-176.9175.5-174.1-0.3115.5
957G23.6Very low36.1Very low74 Ų74148 Ų14876%0.76378%0.78SS**  cis-177159.8-5.700000113.6
958V36.9Very low36.5Very low146 Ų146146.7 Ų146.789%0.88577%0.774SS**  trans-70.4171.6177.1-1090000113.1
959P53Low36.3Very low116 Ų116148 Ų14875%0.75378%0.777SS**  cis-146.6-147.836.547.6-25.6000113.9
960P60Low34.7Very low99 Ų99148.6 Ų148.664%0.64378%0.775SS**  cis-139.3170-14.340.3-21.8000119.1
961I35.5Very low34.8Very low165 Ų165150.4 Ų150.485%0.84678%0.775SS**  trans74.6139.4143-81.3164.2000119.7
962A32.3Very low34.9Very low72 Ų72150 Ų15060%0.59577%0.773SS**  cis-165.2158.11.300000117.5
963K33Very low34.7Very low203 Ų203147 Ų14788%0.88377%0.768SS**  trans64.7156.6154.3-64.3167.8-177.2-178.70117.9
964V28.4Very low33.5Very low142 Ų142148.8 Ų148.886%0.86178%0.777SS**  cis-139.7170.423.2175.80000112.3
965R27.3Very low33.2Very low225 Ų225143.7 Ų143.785%0.84977%0.771SS**  trans-150.8-175.1176.3-129.1-162.4173.7-173.2-0.1108.4
966P56.3Low33Very low82 Ų82139.1 Ų139.153%0.53277%0.767SS.*  cis-142.2-171.90.544.6-24.6000117.4
967H24.6Very low33Very low163 Ų163134.1 Ų134.176%0.75576%0.759SS**  trans153.1117.3137.1-83.6-73.6000108.8
968H32.9Very low33.3Very low164 Ų164134.6 Ų134.676%0.75976%0.756SS**  71.1137.671.8-73.7-51000114.2
969S27.7Very low32.9Very low114 Ų114136 Ų13680%0.79775%0.753SS**  cis-149-165.217.455.50000115.8
970N28.3Very low31.8Very low131 Ų131134.8 Ų134.870%0.70175%0.747SS**  trans-97.4-173.2-161.9-57.8-13.6000117.1
971H30.3Very low30.4Very low160 Ų160134.8 Ų134.874%0.74175%0.749SS**  trans91153.2152.8-69.6-67000120.6
972T27.9Very low30.2Very low105 Ų105133 Ų13364%0.64475%0.746SS**  cis-169.1146.3-49.517.30000112.4
973H27.4Very low30.1Very low170 Ų170134 Ų13479%0.78776%0.755SS**  trans61156.9151.8-77.7-71.6000123.9
974T26.6Very low30Very low146 Ų146129.5 Ų129.590%0.89675%0.749SS**  trans67.3152.1173.7670000116.6
975G25.8Very low30.1Very low67 Ų67129.9 Ų129.969%0.69174%0.744SS**  cis138.7142.8-5.900000112
976T27.6Very low30.4Very low127 Ų127125.1 Ų125.178%0.77974%0.735SS**  cis-154.1-161.2-3.655.30000110.2
977N27.2Very low29.1Very low145 Ų145127.6 Ų127.678%0.77574%0.744SS**  trans85.9115.8168-58.13.7000115.5
978A29.9Very low29.4Very low84 Ų84126.5 Ų126.569%0.69474%0.743SS**  77.4133.159.600000112.8
979E29.1Very low29.2Very low177 Ų177127.3 Ų127.383%0.82774%0.744SS**  cis-162.1171.2-15.4-120.1-156.4-10100108
980S30.5Very low29.3Very low90 Ų90133.4 Ų133.463%0.62975%0.75SS**  cis-136.8-154.512.563.60000110
981S30.2Very low29.4Very low99 Ų99130.5 Ų130.569%0.69275%0.751SS**  cis-154.7-152.820.5-154.30000113.1
982T31.4Very low29.9Very low128 Ų128129.4 Ų129.479%0.78576%0.758SS**  trans-145.3167.7-154.959.20000111.4
983A29.2Very low30.2Very low93 Ų93132.8 Ų132.877%0.76977%0.767SS**  cis-141.4172.617.200000115.1
984S31.3Very low30.3Very low108 Ų108132 Ų13276%0.75577%0.768SS**  trans-102.8-169.9177.1-45.80000111.7
985I31.6Very low30.3Very low149 Ų149135.3 Ų135.376%0.76476%0.764SS**  -175.312980.6-90.2176.9000112.2
986N32.4Very low30.8Very low125 Ų125138.8 Ų138.867%0.66876%0.762SS**  trans49.5124.6138.7-58-11.4000126.1
987N30.3Very low31.6Very low134 Ų134138.5 Ų138.572%0.71776%0.762SS**  101.6131.9113.6-84-14.9000125.7
988L30Very low31.9Very low140 Ų140138.6 Ų138.673%0.73376%0.758SS**  trans89.5133.2131.6-80.3167.4000124.3
989K29.3Very low32.6Very low181 Ų181140.7 Ų140.779%0.78776%0.764SS**  trans89.5126.9148.4-74169.2-179173.80122
990R29.8Very low32.7Very low242 Ų242139.5 Ų139.591%0.91376%0.763SS**  trans25129.5140.5-60.8-177.8177.6-179.2-1.6119.8
991G30.1Very low32.8Very low71 Ų71143.6 Ų143.673%0.73278%0.777SS**  trans-82.5-176.8163.800000114.5
992P41.6Very low32.8Very low136 Ų136148 Ų14888%0.88378%0.779SS**  -141.4-177.3119.340.9-29000114.3
993Q33.7Very low32.6Very low176 Ų176148.9 Ų148.982%0.82279%0.785SS**  trans-78.9155.2168.6-58169.6-15.500111.5
994L28.9Very low32.6Very low154 Ų154149 Ų14981%0.80678%0.776SS**  173.6139.5127.4-95160.7000115.9
995R27.8Very low32.5Very low215 Ų215150.1 Ų150.181%0.81178%0.778SS**  trans34.1123.7145.2-80-178.2-178.4177.1-0.8123.7
996Q35.4Very low32.5Very low141 Ų141149 Ų14966%0.65978%0.779SS**  64.8160.1119.9-118.2179.714.300119.3H998Q996-H998 PolarHBondContact NE2-CD2 3.3Å; Q996-H998 VanDerWaalsContact NE2-CD2 3.29Å; Q996-H998 PolarHBondContact NE2-NE2 3.31Å
997P44.4Very low32.3Very low121 Ų121146.5 Ų146.579%0.78678%0.782SS**  -141.217066.940.4-22.9000117
998H32.6Very low32.3Very low147 Ų147147.4 Ų147.468%0.68179%0.793SS**  trans-90.4164.6156.7-71.3-98000110.3Q996Q996-H998 PolarHBondContact NE2-CD2 3.3Å; Q996-H998 VanDerWaalsContact NE2-CD2 3.29Å; Q996-H998 PolarHBondContact NE2-NE2 3.31Å
999P45.5Very low32.2Very low127 Ų127144.7 Ų144.783%0.82580%0.798SS**  trans-108.5136.5142.733.9-26.5000111.7
1000L30.8Very low32.3Very low153 Ų153140.8 Ų140.880%0.80180%0.8SS**  trans-124.1139.9164.4-100.9170.3000107
1001L31.7Very low32.5Very low176 Ų176138.3 Ų138.392%0.92180%0.799SS**  trans-150.7142157.8-111172.9000110.7
1002Y30.1Very low32.7Very low190 Ų190146.1 Ų146.175%0.74581%0.806SS**  trans-106.5144.4-175.9-108.7-103.6000110.1T1004Y1002-T1004 HydrophobicContact CD1-CG2 3.91Å; Y1002-T1004 HydrophobicContact CE1-CG2 4.42Å
1003V28.8Very low32.5Very low148 Ų148145.5 Ų145.590%0.89780%0.8SS**  trans-139.5148.8148.7-176.60000108
1004T29.4Very low32.6Very low96 Ų96148.2 Ų148.259%0.58980%0.803SS**  trans-124.5164.8-163.449.20000114.7Y1002Y1002-T1004 HydrophobicContact CD1-CG2 3.91Å; Y1002-T1004 HydrophobicContact CE1-CG2 4.42Å
1005T29.4Very low33Very low130 Ų130151.9 Ų151.980%0.79881%0.806SS**  trans83.1151.416277.60000117
1006T30.6Very low33.4Very low127 Ų127153.7 Ų153.778%0.77982%0.823SS**  cis-145.2148.916.950.20000114
1007G27.7Very low33.3Very low72 Ų72154.4 Ų154.474%0.74283%0.831SS**  trans66.3159.7146.300000119.9
1008T30.3Very low32.8Very low153 Ų153156.1 Ų156.194%0.93983%0.834SS**  cis-158.3159.8-15.337.30000108.8
1009G27.3Very low32.8Very low82 Ų82156.6 Ų156.685%0.84584%0.842SS**  trans113.898.5158.200000116.1
1010A32.9Very low32Very low100 Ų100158.4 Ų158.483%0.82684%0.843SS**  trans-145.4129.2168.300000111.6
1011Q33.9Very low32.1Very low189 Ų189158.7 Ų158.788%0.88385%0.846SS**  trans-133.3120.5160-68-175.1-18.100106
1012R34.9Very low32.1Very low235 Ų235157.5 Ų157.589%0.88784%0.841SS**  51.4116.374.7-77.7-171.9168.4-168.3-1.3109.9
1013T36.7Very low32.3Very low124 Ų124155.2 Ų155.276%0.76185%0.848SS**  cis-154.2-172.428.659.80000109.7
1014R36.1Very low32.5Very low232 Ų232155.8 Ų155.888%0.87584%0.844SS**  cis-153.6173.12.8-146.9167.6-174.1175.50.5108.9
1015R36.7Very low32.8Very low231 Ų231160.8 Ų160.887%0.87287%0.865SS**  trans-62.5138.4168.9-61.7173.9178.2165.2-4110.8
1016H37Very low33.1Very low254 Ų254163.5 Ų163.5100%1.17687%0.871SS**  -147.30107.6-124.8-62.3000112.1

Retrieved 1,016 of 1,016 residues in 262 ms (Link to these results)

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