A0A096MG37_POEFO Loading...

BAR/IMD domain-containing adapter protein 2

Adapter protein that links membrane-bound small G-proteins to cytoplasmic effector proteins. Necessary for CDC42-mediated reorganization of the actin cytoskeleton and for RAC1-mediated membrane ruffling. Involved in the regulation of the actin cytoskeleton by WASF family members and the Arp2/3 complex. Plays a role in neurite growth. Acts syngeristically with ENAH to promote filipodia formation. Plays a role in the reorganization of the actin cytoskeleton in response to bacterial infection. Participates in actin bundling when associated with EPS8, promoting filopodial protrusions.

AlphaFold DB , UniProt , Accession A0A096MG37, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 533 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
1M35.2Very low45.9Very low239 Ų239135.7 Ų135.7100%1.17777%0.771SS**  0101.60-78.9174.4179.900107.9V3M1-V3 PolarHBondContact O-N 3.2Å
2V32.4Very low49.4Very low133 Ų133141.8 Ų141.881%0.80677%0.772SS**  trans-82108.6173.11760000105.8T4V2-T4 HydrophobicContact CG1-CG2 4.42Å; V2-T4 PolarHBondContact O-N 3.34Å; V2-T4 VanDerWaalsContact O-N 3.08Å
3V34.3Very low52.4Low137 Ų137133.1 Ų133.183%0.8373%0.726SS**  trans-73.197.5170.8179.70000106M1 D5M1-V3 PolarHBondContact O-N 3.2Å; V3-D5 PolarHBondContact O-N 3.29Å
4T36.4Very low55.1Low119 Ų119129.2 Ų129.273%0.7371%0.705SS**  trans-67.3113.7168.847.20000108V2 A6V2-T4 HydrophobicContact CG1-CG2 4.42Å; V2-T4 PolarHBondContact O-N 3.34Å; V2-T4 VanDerWaalsContact O-N 3.08Å; T4-A6 PolarHBondContact O-N 3.47Å
5D39.8Very low57.7Low163 Ų163127.7 Ų127.787%0.87269%0.691SS**  trans-56.1113.7172.6-148.75.9000108.5V3V3-D5 PolarHBondContact O-N 3.29Å
6A35.9Very low60.2Low74 Ų74121.9 Ų121.961%0.61266%0.661SS**  trans-64.4143.5174.500000108.7T4 A8T4-A6 PolarHBondContact O-N 3.47Å; A6-A8 PolarHBondContact O-N 3.4Å
7P43.5Very low62.4Low126 Ų126116.5 Ų116.582%0.81863%0.63SS**  trans-57.6118.7178.523.8-31.9000108.8R9P7-R9 PolarHBondContact O-N 3.35Å
8A50.7Low64.3Low98 Ų98116.5 Ų116.581%0.8162%0.62SS**  trans-52.5110.2-178.400000109.4A6 M10A6-A8 PolarHBondContact O-N 3.4Å; A8-M10 PolarHBondContact O-N 3.35Å; A8-M10 VanDerWaalsContact O-N 3.1Å
9R52.3Low66.1Low246 Ų246113.5 Ų113.593%0.92860%0.603SS**  trans-58.9115.4173.5-153.4179-168-174.23.8106.3P7 S11P7-R9 PolarHBondContact O-N 3.35Å; R9-S11 PolarHBondContact O-N 3.09Å
10M61.5Low67.7Low100 Ų100107.9 Ų107.949%0.49357%0.573SS.*  trans-47.1134.5179.8-98.6175.260.700110A8 D14 E15A8-M10 PolarHBondContact O-N 3.35Å; A8-M10 VanDerWaalsContact O-N 3.1Å; M10-D14 HydrophobicContact CE-CB 4.01Å; M10-D14 HydrophobicContact CG-CB 4.42Å; M10-E15 HydrophobicContact CE-CB 4.08Å
11S83.3Confident69.2Low58 Ų58104.3 Ų104.341%0.40655%0.553SS.*  trans-63.2148172.7179.50000109.2R9 T13 D14 E15R9-S11 PolarHBondContact O-N 3.09Å; S11-T13 PolarHBondContact O-N 3.15Å; S11-T13 VanDerWaalsContact O-N 3.15Å; S11-T13 PolarHBondContact OG-N 2.92Å; S11-D14 WeakPolarHBondContact CB-OD2 3.43Å; S11-D14 PolarHBondContact N-OD2 3.39Å; S11-D14 WeakPolarHBondContact O-CB 3.45Å; S11-D14 PolarHBondContact O-N 3.4Å; S11-E15 PolarHBondContact O-N 3.11Å; S11-E15 VanDerWaalsContact O-N 3.07Å
12R87.1Confident72.2Confident208 Ų20895.7 Ų95.779%0.78551%0.512SS*.Hα-helixtrans-54.1-33.4173-175.9177.2177.9178.8-0.9111.5E15 V16R12-E15 PolarHBondContact O-N 2.9Å; R12-V16 WeakPolarHBondContact O-CG2 3.41Å; R12-V16 PolarHBondContact O-N 3.41Å; R12-V16 VanDerWaalsContact O-N 3.12Å
13T88.8Confident75.3Confident29 Ų2989.8 Ų89.818%0.17848%0.476CS..Hα-helixtrans-64.1-43.7175.5-60.10000111.9S11 E15 V16 H17 D183 I186S11-T13 PolarHBondContact O-N 3.15Å; S11-T13 VanDerWaalsContact O-N 3.15Å; S11-T13 PolarHBondContact OG-N 2.92Å; T13-E15 VanDerWaalsContact C-N 3.31Å; T13-E15 PolarHBondContact O-N 3Å; T13-V16 PolarHBondContact O-N 2.89Å; T13-H17 PolarHBondContact O-N 3.36Å; T13-D183 WeakPolarHBondContact CG2-OD1 3.44Å; T13-D183 PolarHBondContact OG1-OD1 3.35Å; T13-I186 HydrophobicContact CG2-CD1 3.2Å; T13-I186 HydrophobicContact CG2-CG1 4.45Å
14D89.9Confident78.4Confident79 Ų7984 Ų8442%0.42244%0.439SS..Hα-helixtrans-66.7-35.6178.1-58.1-35.2000111.6M10 S11 R18M10-D14 HydrophobicContact CE-CB 4.01Å; M10-D14 HydrophobicContact CG-CB 4.42Å; S11-D14 WeakPolarHBondContact CB-OD2 3.43Å; S11-D14 PolarHBondContact N-OD2 3.39Å; S11-D14 WeakPolarHBondContact O-CB 3.45Å; S11-D14 PolarHBondContact O-N 3.4Å; D14-R18 WeakPolarHBondContact O-CB 3.38Å; D14-R18 PolarHBondContact O-N 3.2Å
15E94.6Very high81.3Confident106 Ų10681.6 Ų81.650%0.49542%0.419SS..Hα-helixtrans-61.8-49.4174.2-173.5-178.8-175.600111.2M10 S11 R12 T13 H17 R18 I19M10-E15 HydrophobicContact CE-CB 4.08Å; S11-E15 PolarHBondContact O-N 3.11Å; S11-E15 VanDerWaalsContact O-N 3.07Å; R12-E15 PolarHBondContact O-N 2.9Å; T13-E15 VanDerWaalsContact C-N 3.31Å; T13-E15 PolarHBondContact O-N 3Å; E15-H17 PolarHBondContact O-N 2.9Å; E15-R18 PolarHBondContact O-N 2.71Å; E15-I19 HydrophobicContact CG-CD1 4.02Å; E15-I19 VanDerWaalsContact O-CG1 3.28Å; E15-I19 WeakPolarHBondContact O-CG1 3.38Å; E15-I19 PolarHBondContact O-N 3.21Å
16V97Very high84.1Confident35 Ų3576.8 Ų76.821%0.21239%0.393CS..Hα-helixtrans-64.9-39.4178.8177.50000111.4R12 T13 R18 I19 T20 I186 Y190R12-V16 WeakPolarHBondContact O-CG2 3.41Å; R12-V16 PolarHBondContact O-N 3.41Å; R12-V16 VanDerWaalsContact O-N 3.12Å; T13-V16 PolarHBondContact O-N 2.89Å; V16-R18 PolarHBondContact O-N 3.48Å; V16-I19 PolarHBondContact O-N 2.92Å; V16-T20 WeakPolarHBondContact O-CB 3.3Å; V16-T20 PolarHBondContact O-N 2.97Å; V16-T20 PolarHBondContact O-OG1 3.1Å; V16-I186 HydrophobicContact CB-CG2 3.9Å; V16-I186 HydrophobicContact CG1-CG2 3.65Å; V16-Y190 HydrophobicContact CG1-CD1 4.13Å; V16-Y190 HydrophobicContact CG1-CD2 4.3Å; V16-Y190 HydrophobicContact CG1-CG 3.76Å
17H97.4Very high87.1Confident30 Ų3073.4 Ų73.414%0.13937%0.365CS..Hα-helixtrans-57.7-49174172.269.9000111.5T13 E15 I19 T20 E21 Y130 H134 I186T13-H17 PolarHBondContact O-N 3.36Å; E15-H17 PolarHBondContact O-N 2.9Å; H17-I19 PolarHBondContact O-N 3.47Å; H17-T20 WeakPolarHBondContact O-CB 3.49Å; H17-T20 PolarHBondContact O-N 3.36Å; H17-E21 IonicContact NE2-OE1 2.89Å; H17-E21 PolarHBondContact O-N 2.95Å; H17-E21 VanDerWaalsContact O-N 3.1Å; H17-Y130 AromaticContact CE1-CE1 3.68Å; H17-Y130 AromaticContact ND1-CE1 3.54Å; H17-Y130 AromaticContact ND1-CZ 3.49Å; H17-Y130 PolarHBondContact ND1-OH 3.38Å; H17-H134 AromaticContact CD2-CE1 3.78Å; H17-H134 AromaticContact CE1-CD2 3.9Å; H17-H134 AromaticContact CE1-CE1 3.44Å; H17-H134 PolarHBondContact CE1-CE1 3.39Å; H17-H134 VanDerWaalsContact CE1-CE1 3.44Å; H17-H134 AromaticContact CE1-CG 3.53Å; H17-H134 AromaticContact CE1-ND1 3.24Å; H17-H134 PolarHBondContact CE1-ND1 3.28Å; H17-H134 AromaticContact CE1-NE2 3.84Å; H17-H134 AromaticContact CG-CE1 3.74Å; H17-H134 AromaticContact CG-NE2 3.64Å; H17-H134 AromaticContact ND1-CD2 3.48Å; H17-H134 PolarHBondContact ND1-CD2 3.1Å; H17-H134 AromaticContact ND1-CE1 3.51Å; H17-H134 AromaticContact ND1-CG 3.58Å; H17-H134 AromaticContact ND1-ND1 3.61Å; H17-H134 AromaticContact ND1-NE2 3.43Å; H17-H134 PolarHBondContact ND1-NE2 2.96Å; H17-H134 AromaticContact NE2-CE1 3.6Å; H17-H134 AromaticContact NE2-ND1 3.68Å; H17-I186 HydrophobicContact CB-CD1 4.38Å; H17-I186 HydrophobicContact CB-CG2 4.27Å
18R97.8Very high89.7Confident117 Ų11769.2 Ų69.244%0.44234%0.335SS..Hα-helixtrans-62.2-42.8177.9-176.3-178175.9-179.1-1.2112.3D14 E15 V16 T20 E21 N22D14-R18 WeakPolarHBondContact O-CB 3.38Å; D14-R18 PolarHBondContact O-N 3.2Å; E15-R18 PolarHBondContact O-N 2.71Å; V16-R18 PolarHBondContact O-N 3.48Å; R18-T20 VanDerWaalsContact C-N 3.28Å; R18-T20 PolarHBondContact O-N 3.02Å; R18-E21 PolarHBondContact O-N 3.4Å; R18-N22 WeakPolarHBondContact O-CB 3.33Å; R18-N22 PolarHBondContact O-N 3.33Å; R18-N22 PolarHBondContact O-ND2 3.18Å
19I97.8Very high91.9Very high60 Ų6070.7 Ų70.731%0.30833%0.325SS..Hα-helixtrans-60.9-42.3176.1-66.3165.8000110.1E15 V16 H17 E21 N22 V23 Y190E15-I19 HydrophobicContact CG-CD1 4.02Å; E15-I19 VanDerWaalsContact O-CG1 3.28Å; E15-I19 WeakPolarHBondContact O-CG1 3.38Å; E15-I19 PolarHBondContact O-N 3.21Å; V16-I19 PolarHBondContact O-N 2.92Å; H17-I19 PolarHBondContact O-N 3.47Å; I19-E21 PolarHBondContact O-N 2.97Å; I19-N22 WeakPolarHBondContact O-CB 3.45Å; I19-N22 PolarHBondContact O-N 3.24Å; I19-V23 HydrophobicContact CG2-CG2 4.46Å; I19-V23 WeakPolarHBondContact O-CG2 3.48Å; I19-V23 PolarHBondContact O-N 3.46Å; I19-Y190 HydrophobicContact CB-CE2 4.39Å; I19-Y190 HydrophobicContact CG2-CD2 4.12Å; I19-Y190 HydrophobicContact CG2-CE2 3.51Å
20T98.6Very high94.1Very high0 Ų064.9 Ų64.90%031%0.308CS..Hα-helixtrans-58.7-48.3178.6-56.50000111.7V16 H17 R18 N22 V23 Y24 Y130 G189 Y190 A193V16-T20 WeakPolarHBondContact O-CB 3.3Å; V16-T20 PolarHBondContact O-N 2.97Å; V16-T20 PolarHBondContact O-OG1 3.1Å; H17-T20 WeakPolarHBondContact O-CB 3.49Å; H17-T20 PolarHBondContact O-N 3.36Å; R18-T20 VanDerWaalsContact C-N 3.28Å; R18-T20 PolarHBondContact O-N 3.02Å; T20-N22 VanDerWaalsContact C-N 3.33Å; T20-N22 PolarHBondContact O-N 3.35Å; T20-V23 PolarHBondContact O-N 2.96Å; T20-Y24 HydrophobicContact CG2-CE2 4.17Å; T20-Y24 VanDerWaalsContact O-CD2 3.32Å; T20-Y24 WeakPolarHBondContact O-CD2 3.25Å; T20-Y24 PolarHBondContact O-N 2.91Å; T20-Y130 HydrophobicContact CG2-CD1 4.27Å; T20-Y130 HydrophobicContact CG2-CD2 4.49Å; T20-Y130 HydrophobicContact CG2-CE1 3.73Å; T20-Y130 HydrophobicContact CG2-CE2 4Å; T20-G189 WeakPolarHBondContact CG2-O 3.44Å; T20-Y190 VanDerWaalsContact OG1-CA 3.28Å; T20-Y190 WeakPolarHBondContact OG1-CA 3.47Å; T20-Y190 WeakPolarHBondContact OG1-CB 3.48Å; T20-A193 HydrophobicContact CG2-CB 3.85Å
21E98.4Very high95.9Very high33 Ų3361.1 Ų61.115%0.15429%0.289CS..Hα-helixtrans-62.3-40.8175.5-65.1-163.6130.200112.3H17 R18 I19 V23 Y24 K25 L127 Y130 Q131H17-E21 IonicContact NE2-OE1 2.89Å; H17-E21 PolarHBondContact O-N 2.95Å; H17-E21 VanDerWaalsContact O-N 3.1Å; R18-E21 PolarHBondContact O-N 3.4Å; I19-E21 PolarHBondContact O-N 2.97Å; E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 3.41Å; E21-Y24 PolarHBondContact O-N 2.94Å; E21-K25 WeakPolarHBondContact O-CG 3.48Å; E21-K25 PolarHBondContact O-N 3.15Å; E21-K25 IonicContact OE2-NZ 3.62Å; E21-L127 HydrophobicContact CG-CD1 4.39Å; E21-Y130 HydrophobicContact CG-CE1 4.14Å; E21-Q131 WeakPolarHBondContact OE1-CG 3.28Å; E21-Q131 PolarHBondContact OE1-NE2 3.21Å
22N98.3Very high96.6Very high59 Ų5958.8 Ų58.832%0.31627%0.272SS..Hα-helixtrans-63.3-35.4179.2-73.7-14000112.3R18 I19 T20 K25 N26R18-N22 WeakPolarHBondContact O-CB 3.33Å; R18-N22 PolarHBondContact O-N 3.33Å; R18-N22 PolarHBondContact O-ND2 3.18Å; I19-N22 WeakPolarHBondContact O-CB 3.45Å; I19-N22 PolarHBondContact O-N 3.24Å; T20-N22 VanDerWaalsContact C-N 3.33Å; T20-N22 PolarHBondContact O-N 3.35Å; N22-K25 PolarHBondContact O-N 3Å; N22-N26 VanDerWaalsContact O-CB 3.28Å; N22-N26 WeakPolarHBondContact O-CB 3.43Å; N22-N26 PolarHBondContact O-N 3.46Å; N22-N26 PolarHBondContact O-ND2 3.36Å
23V98.6Very high97.1Very high9 Ų952.1 Ų52.16%0.05526%0.256CS..Hα-helixtrans-62.1-48.8175.5172.60000110.5I19 T20 E21 K25 N26 I27 A193 L194 E197I19-V23 HydrophobicContact CG2-CG2 4.46Å; I19-V23 WeakPolarHBondContact O-CG2 3.48Å; I19-V23 PolarHBondContact O-N 3.46Å; T20-V23 PolarHBondContact O-N 2.96Å; E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 3.41Å; V23-K25 VanDerWaalsContact C-N 3.35Å; V23-K25 PolarHBondContact O-N 2.84Å; V23-N26 PolarHBondContact O-N 3.34Å; V23-I27 HydrophobicContact CG1-CD1 4.1Å; V23-I27 VanDerWaalsContact O-CG1 3.29Å; V23-I27 WeakPolarHBondContact O-CG1 3.2Å; V23-I27 PolarHBondContact O-N 2.92Å; V23-A193 HydrophobicContact CB-CB 4.03Å; V23-A193 HydrophobicContact CG1-CB 3.92Å; V23-A193 WeakPolarHBondContact CG1-O 3.18Å; V23-L194 HydrophobicContact CG2-CD2 4.02Å; V23-E197 HydrophobicContact CG1-CB 3.98Å
24Y98.6Very high97.6Very high14 Ų1454.9 Ų54.96%0.05528%0.275CS..Hα-helixtrans-59.5-44.4176.1-75-71.5000112.3T20 E21 I27 M28 L123 A126 L127 A193 E196T20-Y24 HydrophobicContact CG2-CE2 4.17Å; T20-Y24 VanDerWaalsContact O-CD2 3.32Å; T20-Y24 WeakPolarHBondContact O-CD2 3.25Å; T20-Y24 PolarHBondContact O-N 2.91Å; E21-Y24 PolarHBondContact O-N 2.94Å; Y24-I27 PolarHBondContact O-N 3.12Å; Y24-M28 WeakPolarHBondContact O-CE 3.45Å; Y24-M28 WeakPolarHBondContact O-CG 3.48Å; Y24-M28 PolarHBondContact O-N 3.35Å; Y24-M28 VanDerWaalsContact O-N 3.11Å; Y24-L123 HydrophobicContact CD1-CD2 3.81Å; Y24-L123 HydrophobicContact CE1-CD2 4.14Å; Y24-A126 HydrophobicContact CE1-CB 4.06Å; Y24-L127 HydrophobicContact CD1-CB 4.43Å; Y24-L127 HydrophobicContact CD2-CB 4.45Å; Y24-L127 HydrophobicContact CD2-CD1 3.85Å; Y24-L127 HydrophobicContact CG-CB 4.12Å; Y24-L127 HydrophobicContact CG-CD1 4.11Å; Y24-A193 HydrophobicContact CD2-CB 4.09Å; Y24-A193 HydrophobicContact CE2-CB 3.63Å; Y24-E196 HydrophobicContact CE1-CG 4.45Å
25K98.1Very high98Very high70 Ų7051.8 Ų51.830%0.30426%0.259SS..Hα-helixtrans-61.5-47.5176.7-71.5172.8-177.8167.30111.6E21 N22 V23 I27 M28 E29E21-K25 WeakPolarHBondContact O-CG 3.48Å; E21-K25 PolarHBondContact O-N 3.15Å; E21-K25 IonicContact OE2-NZ 3.62Å; N22-K25 PolarHBondContact O-N 3Å; V23-K25 VanDerWaalsContact C-N 3.35Å; V23-K25 PolarHBondContact O-N 2.84Å; K25-I27 VanDerWaalsContact C-N 3.29Å; K25-I27 PolarHBondContact O-N 3.45Å; K25-M28 PolarHBondContact O-N 3.16Å; K25-M28 VanDerWaalsContact O-N 3.13Å; K25-E29 VanDerWaalsContact O-CB 3.27Å; K25-E29 WeakPolarHBondContact O-CB 3.48Å; K25-E29 WeakPolarHBondContact O-CG 3.44Å; K25-E29 PolarHBondContact O-N 2.97Å
26N98.4Very high98.2Very high62 Ų6252 Ų5233%0.33226%0.255SS..Hα-helixtrans-57.9-41.2177.3-74.8-14000111.8N22 V23 Q30 F31N22-N26 VanDerWaalsContact O-CB 3.28Å; N22-N26 WeakPolarHBondContact O-CB 3.43Å; N22-N26 PolarHBondContact O-N 3.46Å; N22-N26 PolarHBondContact O-ND2 3.36Å; V23-N26 PolarHBondContact O-N 3.34Å; N26-Q30 WeakPolarHBondContact O-CA 3.41Å; N26-Q30 VanDerWaalsContact O-CB 3.27Å; N26-Q30 WeakPolarHBondContact O-CB 3.35Å; N26-Q30 PolarHBondContact O-N 2.88Å; N26-F31 PolarHBondContact O-N 2.89Å
27I98.4Very high98.2Very high3 Ų355 Ų552%0.01527%0.27CS..Iπ-helixtrans-62.8-47.3177-62.8165.1000110.6V23 Y24 K25 F31 N32 L123 E196 E197 R200V23-I27 HydrophobicContact CG1-CD1 4.1Å; V23-I27 VanDerWaalsContact O-CG1 3.29Å; V23-I27 WeakPolarHBondContact O-CG1 3.2Å; V23-I27 PolarHBondContact O-N 2.92Å; Y24-I27 PolarHBondContact O-N 3.12Å; K25-I27 VanDerWaalsContact C-N 3.29Å; K25-I27 PolarHBondContact O-N 3.45Å; I27-F31 HydrophobicContact CG2-CB 4.41Å; I27-F31 HydrophobicContact CG2-CD1 4.2Å; I27-F31 WeakPolarHBondContact O-CB 3.47Å; I27-F31 PolarHBondContact O-N 3.33Å; I27-N32 PolarHBondContact O-N 2.84Å; I27-L123 HydrophobicContact CB-CD1 4.19Å; I27-L123 HydrophobicContact CD1-CD2 4.36Å; I27-L123 HydrophobicContact CG2-CD1 3.38Å; I27-L123 HydrophobicContact CG2-CD2 4.36Å; I27-E196 HydrophobicContact CD1-CB 4.34Å; I27-E197 HydrophobicContact CD1-CB 3.98Å; I27-E197 HydrophobicContact CG1-CB 4.33Å; I27-E197 HydrophobicContact CG1-CG 4.49Å; I27-R200 VanDerWaalsContact CG2-CD 3.43Å
28M98.1Very high98.3Very high37 Ų3756.7 Ų56.718%0.18228%0.277CS..Iπ-helixtrans-73-38.4-176.2-67.5-174.4-67.200113.5Y24 K25 P33 L123 L127Y24-M28 WeakPolarHBondContact O-CE 3.45Å; Y24-M28 WeakPolarHBondContact O-CG 3.48Å; Y24-M28 PolarHBondContact O-N 3.35Å; Y24-M28 VanDerWaalsContact O-N 3.11Å; K25-M28 PolarHBondContact O-N 3.16Å; K25-M28 VanDerWaalsContact O-N 3.13Å; M28-P33 VanDerWaalsContact O-CD 3.27Å; M28-P33 WeakPolarHBondContact O-CD 3.43Å; M28-L123 HydrophobicContact CG-CB 3.8Å; M28-L123 HydrophobicContact CG-CD1 3.79Å; M28-L123 HydrophobicContact CG-CG 4.43Å; M28-L123 HydrophobicContact SD-CB 3.75Å; M28-L127 HydrophobicContact CE-CD2 3.72Å
29E97.6Very high98.4Very high129 Ų12951.5 Ų51.560%0.60326%0.258SS*.Iπ-helixtrans-96-22.1-170.9-63.4174.6-17200113.1K25 P33K25-E29 VanDerWaalsContact O-CB 3.27Å; K25-E29 WeakPolarHBondContact O-CB 3.48Å; K25-E29 WeakPolarHBondContact O-CG 3.44Å; K25-E29 PolarHBondContact O-N 2.97Å; E29-P33 WeakPolarHBondContact O-CG 3.31Å
30Q97.9Very high98.4Very high124 Ų12450.7 Ų50.758%0.57926%0.26SS*.Iπ-helixtrans-119.3-58.1-179.3-53.9-175.613.300112.1N26 C34N26-Q30 WeakPolarHBondContact O-CA 3.41Å; N26-Q30 VanDerWaalsContact O-CB 3.27Å; N26-Q30 WeakPolarHBondContact O-CB 3.35Å; N26-Q30 PolarHBondContact O-N 2.88Å; Q30-C34 WeakPolarHBondContact O-CB 3.38Å; Q30-C34 PolarHBondContact O-N 2.87Å
31F98.6Very high98.4Very high21 Ų2155.7 Ų55.79%0.09229%0.285CS..Iπ-helixtrans-62.7-51.1-174.6175.8-92.5000112N26 I27 C34 L35 R200 Y201N26-F31 PolarHBondContact O-N 2.89Å; I27-F31 HydrophobicContact CG2-CB 4.41Å; I27-F31 HydrophobicContact CG2-CD1 4.2Å; I27-F31 WeakPolarHBondContact O-CB 3.47Å; I27-F31 PolarHBondContact O-N 3.33Å; F31-C34 PolarHBondContact O-N 3.46Å; F31-L35 HydrophobicContact CE1-CB 4.38Å; F31-L35 HydrophobicContact CE1-CD2 3.76Å; F31-L35 HydrophobicContact CZ-CD2 4Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.01Å; F31-R200 HydrophobicContact CD1-CB 4.38Å; F31-R200 HydrophobicContact CE1-CB 3.68Å; F31-R200 HydrophobicContact CE1-CG 4.11Å; F31-R200 HydrophobicContact CE2-CB 4.29Å; F31-R200 HydrophobicContact CZ-CB 3.64Å; F31-Y201 HydrophobicContact CD2-CD1 4.44Å; F31-Y201 AromaticContact CD2-CE1 3.82Å; F31-Y201 HydrophobicContact CD2-CE1 3.82Å; F31-Y201 HydrophobicContact CD2-CE2 4.14Å; F31-Y201 AromaticContact CD2-CZ 3.65Å; F31-Y201 AromaticContact CE2-CD1 3.97Å; F31-Y201 HydrophobicContact CE2-CD1 3.97Å; F31-Y201 AromaticContact CE2-CE1 3.76Å; F31-Y201 HydrophobicContact CE2-CE1 3.76Å; F31-Y201 HydrophobicContact CE2-CE2 4.44Å; F31-Y201 HydrophobicContact CE2-CG 4.39Å
32N98.3Very high98.4Very high10 Ų1054.5 Ų54.55%0.05328%0.28CS..Hα-helixtrans-64.3-44.9-177.1-79.3-17.1000113.2I27 L35 R36 V116 D119I27-N32 PolarHBondContact O-N 2.84Å; N32-L35 PolarHBondContact O-N 2.88Å; N32-R36 WeakPolarHBondContact O-CG 3.48Å; N32-R36 PolarHBondContact O-N 2.89Å; N32-V116 HydrophobicContact CB-CG2 4.07Å; N32-D119 PolarHBondContact ND2-OD2 3.28Å; N32-D119 PolarHBondContact OD1-OD2 3.49Å
33P98.3Very high98.4Very high68 Ų6856.1 Ų56.144%0.44229%0.285SS..Hα-helixtrans-60.7-42.6171.8-2938.5000113.1M28 E29 L35 R36 N37M28-P33 VanDerWaalsContact O-CD 3.27Å; M28-P33 WeakPolarHBondContact O-CD 3.43Å; E29-P33 WeakPolarHBondContact O-CG 3.31Å; P33-L35 VanDerWaalsContact C-N 3.34Å; P33-L35 PolarHBondContact O-N 3.49Å; P33-R36 PolarHBondContact O-N 3.28Å; P33-N37 PolarHBondContact O-N 2.92Å
34C98.5Very high98.4Very high86 Ų8659.2 Ų59.258%0.58131%0.306SS*.Hα-helixtrans-61.7-42.9176-173.30000111.5Q30 F31 N37 F38Q30-C34 WeakPolarHBondContact O-CB 3.38Å; Q30-C34 PolarHBondContact O-N 2.87Å; F31-C34 PolarHBondContact O-N 3.46Å; C34-N37 PolarHBondContact O-N 2.84Å; C34-F38 PolarHBondContact O-N 2.73Å
35L98.6Very high98.4Very high14 Ų1464.7 Ų64.77%0.07333%0.328CS..Hα-helixtrans-64.9-40177.3-177.560.4000111.9F31 N32 P33 N37 F38 I39 L112 V116 L204F31-L35 HydrophobicContact CE1-CB 4.38Å; F31-L35 HydrophobicContact CE1-CD2 3.76Å; F31-L35 HydrophobicContact CZ-CD2 4Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.01Å; N32-L35 PolarHBondContact O-N 2.88Å; P33-L35 VanDerWaalsContact C-N 3.34Å; P33-L35 PolarHBondContact O-N 3.49Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 3.4Å; L35-F38 HydrophobicContact CD1-CD1 4.06Å; L35-F38 WeakPolarHBondContact O-CB 3.38Å; L35-F38 PolarHBondContact O-N 3.22Å; L35-I39 HydrophobicContact CG-CD1 4.18Å; L35-I39 VanDerWaalsContact O-CG1 3.28Å; L35-I39 WeakPolarHBondContact O-CG1 3.43Å; L35-I39 PolarHBondContact O-N 3.42Å; L35-L112 HydrophobicContact CD1-CD1 4.26Å; L35-L112 HydrophobicContact CD1-CD2 4.24Å; L35-V116 HydrophobicContact CD2-CB 4.04Å; L35-V116 HydrophobicContact CD2-CG2 4.17Å; L35-L204 HydrophobicContact CD1-CD1 4.36Å
36R98.6Very high98.5Very high110 Ų11063.1 Ų63.142%0.41532%0.322SS..Hα-helixtrans-62-41.6173.8-72.6-179.3-173.9-87.52.2111.7N32 P33 I39 A40 V116 E117N32-R36 WeakPolarHBondContact O-CG 3.48Å; N32-R36 PolarHBondContact O-N 2.89Å; P33-R36 PolarHBondContact O-N 3.28Å; R36-I39 PolarHBondContact O-N 3.06Å; R36-A40 PolarHBondContact O-N 3.45Å; R36-V116 HydrophobicContact CG-CG1 4.24Å; R36-V116 HydrophobicContact CG-CG2 3.97Å; R36-V116 PolarHBondContact NH2-O 3Å; R36-E117 IonicContact CZ-OE2 3.65Å; R36-E117 IonicContact NH1-OE2 3.45Å; R36-E117 PolarHBondContact NH1-OE2 3.3Å; R36-E117 IonicContact NH2-OE2 3.99Å; R36-E117 PolarHBondContact NH2-OE2 3.4Å
37N98.6Very high98.5Very high98 Ų9867.5 Ų67.552%0.52434%0.338SS..Hα-helixtrans-64-43.2173.6-17763.2000111.8P33 C34 L35 I39 A40 M41P33-N37 PolarHBondContact O-N 2.92Å; C34-N37 PolarHBondContact O-N 2.84Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 3.4Å; N37-I39 VanDerWaalsContact C-N 3.34Å; N37-I39 PolarHBondContact O-N 3.43Å; N37-A40 WeakPolarHBondContact O-CB 3.38Å; N37-A40 PolarHBondContact O-N 3.21Å; N37-A40 VanDerWaalsContact O-N 3.16Å; N37-M41 WeakPolarHBondContact O-CG 3.2Å; N37-M41 PolarHBondContact O-N 3.28Å
38F98.8Very high98.5Very high67 Ų6770 Ų7029%0.29436%0.359SS..Hα-helixtrans-57.5-45.7174.7170.8-94.7000111.8C34 L35 A40 M41 A42 L108 L112 L204C34-F38 PolarHBondContact O-N 2.73Å; L35-F38 HydrophobicContact CD1-CD1 4.06Å; L35-F38 WeakPolarHBondContact O-CB 3.38Å; L35-F38 PolarHBondContact O-N 3.22Å; F38-A40 VanDerWaalsContact C-N 3.33Å; F38-A40 PolarHBondContact O-N 3.13Å; F38-M41 PolarHBondContact O-N 3.39Å; F38-A42 WeakPolarHBondContact O-CB 3.47Å; F38-A42 PolarHBondContact O-N 3.44Å; F38-L108 HydrophobicContact CE1-CD2 4.19Å; F38-L112 HydrophobicContact CD1-CD1 4.15Å; F38-L112 HydrophobicContact CE1-CD1 3.72Å; F38-L204 HydrophobicContact CD1-CD1 4.46Å; F38-L204 HydrophobicContact CE1-CD1 4.12Å
39I98.8Very high98.5Very high8 Ų869.3 Ų69.34%0.04136%0.356CS..Hα-helixtrans-59.5-43.2175.1-69.4162.8000110.9L35 R36 N37 M41 A42 K43 L109 L112 E113 V116L35-I39 HydrophobicContact CG-CD1 4.18Å; L35-I39 VanDerWaalsContact O-CG1 3.28Å; L35-I39 WeakPolarHBondContact O-CG1 3.43Å; L35-I39 PolarHBondContact O-N 3.42Å; R36-I39 PolarHBondContact O-N 3.06Å; N37-I39 VanDerWaalsContact C-N 3.34Å; N37-I39 PolarHBondContact O-N 3.43Å; I39-M41 VanDerWaalsContact C-N 3.34Å; I39-M41 PolarHBondContact O-N 3.21Å; I39-A42 PolarHBondContact O-N 3.29Å; I39-K43 WeakPolarHBondContact O-CG 3.27Å; I39-K43 PolarHBondContact O-N 3.38Å; I39-L109 HydrophobicContact CG2-CD2 4.09Å; I39-L112 HydrophobicContact CD1-CB 3.9Å; I39-L112 HydrophobicContact CG1-CB 4.02Å; I39-E113 HydrophobicContact CD1-CG 4.07Å; I39-E113 HydrophobicContact CG2-CG 3.59Å; I39-V116 HydrophobicContact CD1-CG1 3.99Å
40A98.8Very high98.5Very high43 Ų4366.5 Ų66.536%0.35535%0.348SS..Hα-helixtrans-60.6-43.7177.100000111.8R36 N37 F38 K43 S44R36-A40 PolarHBondContact O-N 3.45Å; N37-A40 WeakPolarHBondContact O-CB 3.38Å; N37-A40 PolarHBondContact O-N 3.21Å; N37-A40 VanDerWaalsContact O-N 3.16Å; F38-A40 VanDerWaalsContact C-N 3.33Å; F38-A40 PolarHBondContact O-N 3.13Å; A40-K43 PolarHBondContact O-N 3.02Å; A40-S44 PolarHBondContact O-N 3.28Å; A40-S44 VanDerWaalsContact O-N 3.09Å; A40-S44 PolarHBondContact O-OG 3.12Å
41M98.8Very high98.5Very high105 Ų10563.9 Ų63.952%0.51734%0.343SS..Hα-helixtrans-65.5-39.6175.3-64.5-58.396.400112.1N37 F38 I39 K43 S44 Y45N37-M41 WeakPolarHBondContact O-CG 3.2Å; N37-M41 PolarHBondContact O-N 3.28Å; F38-M41 PolarHBondContact O-N 3.39Å; I39-M41 VanDerWaalsContact C-N 3.34Å; I39-M41 PolarHBondContact O-N 3.21Å; M41-K43 VanDerWaalsContact C-N 3.33Å; M41-K43 PolarHBondContact O-N 3.04Å; M41-S44 WeakPolarHBondContact O-CB 3.42Å; M41-S44 PolarHBondContact O-N 3.13Å; M41-Y45 PolarHBondContact O-N 3.07Å
42A98.6Very high98.5Very high7 Ų766.7 Ų66.76%0.05836%0.362CS..Hα-helixtrans-62-39.4175.600000111.8F38 I39 Y45 E46 F104 L108 L109F38-A42 WeakPolarHBondContact O-CB 3.47Å; F38-A42 PolarHBondContact O-N 3.44Å; I39-A42 PolarHBondContact O-N 3.29Å; A42-Y45 WeakPolarHBondContact O-CB 3.43Å; A42-Y45 PolarHBondContact O-N 2.94Å; A42-E46 PolarHBondContact O-N 3.35Å; A42-F104 HydrophobicContact CB-CE1 4.14Å; A42-F104 HydrophobicContact CB-CZ 3.7Å; A42-F104 WeakPolarHBondContact O-CE1 3.32Å; A42-L108 HydrophobicContact CB-CD2 4.47Å; A42-L109 HydrophobicContact CB-CD2 3.45Å; A42-L109 VanDerWaalsContact CB-CD2 3.45Å; A42-L109 HydrophobicContact CB-CG 4.32Å
43K98.7Very high98.5Very high94 Ų9467.2 Ų67.241%0.40937%0.365SS..Hα-helixtrans-64.3-40.8171.9-72.1-178.7176.8-174.40113.1I39 A40 M41 Y45 E46 K47 L109 E113I39-K43 WeakPolarHBondContact O-CG 3.27Å; I39-K43 PolarHBondContact O-N 3.38Å; A40-K43 PolarHBondContact O-N 3.02Å; M41-K43 VanDerWaalsContact C-N 3.33Å; M41-K43 PolarHBondContact O-N 3.04Å; K43-Y45 VanDerWaalsContact C-N 3.27Å; K43-Y45 PolarHBondContact O-N 3.48Å; K43-E46 PolarHBondContact O-N 2.96Å; K43-K47 WeakPolarHBondContact O-CB 3.46Å; K43-K47 PolarHBondContact O-N 2.92Å; K43-L109 HydrophobicContact CG-CD1 4.16Å; K43-L109 HydrophobicContact CG-CD2 3.99Å; K43-E113 WeakPolarHBondContact CE-OE1 3.29Å; K43-E113 IonicContact NZ-OE1 3.99Å; K43-E113 PolarHBondContact NZ-OE1 3.01Å
44S98.7Very high98.4Very high73 Ų7372 Ų7251%0.5138%0.38SS..Hα-helixtrans-61.7-39.4174-63.10000111.5A40 M41 K47 A48A40-S44 PolarHBondContact O-N 3.28Å; A40-S44 VanDerWaalsContact O-N 3.09Å; A40-S44 PolarHBondContact O-OG 3.12Å; M41-S44 WeakPolarHBondContact O-CB 3.42Å; M41-S44 PolarHBondContact O-N 3.13Å; S44-K47 PolarHBondContact O-N 3.35Å; S44-A48 PolarHBondContact O-N 3.15Å; S44-A48 VanDerWaalsContact O-N 3.14Å
45Y98.6Very high98.4Very high129 Ų12971 Ų7151%0.50638%0.377SS..Hα-helixtrans-65.4-46.4175.8-177.7-133000112.2M41 A42 K43 K47 A48 L49 F104M41-Y45 PolarHBondContact O-N 3.07Å; A42-Y45 WeakPolarHBondContact O-CB 3.43Å; A42-Y45 PolarHBondContact O-N 2.94Å; K43-Y45 VanDerWaalsContact C-N 3.27Å; K43-Y45 PolarHBondContact O-N 3.48Å; Y45-K47 VanDerWaalsContact C-N 3.35Å; Y45-K47 PolarHBondContact O-N 3.4Å; Y45-A48 WeakPolarHBondContact O-CB 3.27Å; Y45-A48 PolarHBondContact O-N 3.48Å; Y45-A48 VanDerWaalsContact O-N 3.16Å; Y45-L49 HydrophobicContact CD1-CD1 4.23Å; Y45-L49 HydrophobicContact CD2-CD1 4.43Å; Y45-L49 HydrophobicContact CD2-CG 4.31Å; Y45-L49 HydrophobicContact CE1-CD1 3.8Å; Y45-L49 HydrophobicContact CE2-CD1 4Å; Y45-L49 HydrophobicContact CE2-CD2 4.11Å; Y45-L49 HydrophobicContact CE2-CG 3.94Å; Y45-L49 PolarHBondContact O-N 3.46Å; Y45-F104 HydrophobicContact CD1-CE1 4.48Å; Y45-F104 HydrophobicContact CD1-CE2 4.3Å; Y45-F104 AromaticContact CD1-CZ 3.94Å; Y45-F104 HydrophobicContact CD1-CZ 3.94Å
46E98.3Very high98.4Very high37 Ų3771 Ų7117%0.17338%0.379CS..Hα-helixtrans-54.4-49.5173.9-177.4-171.3-164.500111.5A42 K43 A48 L49 T50 L101 F104 H105 L109A42-E46 PolarHBondContact O-N 3.35Å; K43-E46 PolarHBondContact O-N 2.96Å; E46-A48 VanDerWaalsContact C-N 3.28Å; E46-A48 PolarHBondContact O-N 2.95Å; E46-L49 PolarHBondContact O-N 3.12Å; E46-L49 VanDerWaalsContact O-N 3.14Å; E46-T50 PolarHBondContact O-N 2.9Å; E46-T50 PolarHBondContact O-OG1 2.85Å; E46-T50 VanDerWaalsContact O-OG1 3.11Å; E46-L101 HydrophobicContact CB-CD1 4.39Å; E46-L101 HydrophobicContact CG-CD1 3.79Å; E46-L101 HydrophobicContact CG-CG 4.48Å; E46-F104 HydrophobicContact CB-CD1 4.27Å; E46-F104 HydrophobicContact CB-CE1 4.11Å; E46-H105 WeakPolarHBondContact OE1-CB 3.49Å; E46-H105 IonicContact OE1-CE1 3.05Å; E46-H105 IonicContact OE1-CG 3.52Å; E46-H105 IonicContact OE1-ND1 3.43Å; E46-H105 PolarHBondContact OE1-ND1 3.19Å; E46-H105 IonicContact OE2-ND1 3.35Å; E46-H105 PolarHBondContact OE2-ND1 3.31Å; E46-L109 HydrophobicContact CB-CD1 4.3Å; E46-L109 WeakPolarHBondContact OE2-CD1 3.38Å
47K98.4Very high98.4Very high155 Ų15571.5 Ų71.567%0.67438%0.384SS*.Hα-helixtrans-58.3-39.9178.7-176.7179.5178.6-179.40112.5K43 S44 Y45 S51K43-K47 WeakPolarHBondContact O-CB 3.46Å; K43-K47 PolarHBondContact O-N 2.92Å; S44-K47 PolarHBondContact O-N 3.35Å; Y45-K47 VanDerWaalsContact C-N 3.35Å; Y45-K47 PolarHBondContact O-N 3.4Å; K47-S51 PolarHBondContact O-N 2.8Å; K47-S51 VanDerWaalsContact O-N 3.1Å; K47-S51 PolarHBondContact O-OG 3.42Å
48A98.7Very high98.3Very high54 Ų5469 Ų6945%0.44638%0.381SS..Hα-helixtrans-66.1-44.2177.200000111.2S44 Y45 E46 S51 V52S44-A48 PolarHBondContact O-N 3.15Å; S44-A48 VanDerWaalsContact O-N 3.14Å; Y45-A48 WeakPolarHBondContact O-CB 3.27Å; Y45-A48 PolarHBondContact O-N 3.48Å; Y45-A48 VanDerWaalsContact O-N 3.16Å; E46-A48 VanDerWaalsContact C-N 3.28Å; E46-A48 PolarHBondContact O-N 2.95Å; A48-S51 WeakPolarHBondContact O-CB 3.39Å; A48-S51 PolarHBondContact O-N 3.33Å; A48-S51 VanDerWaalsContact O-N 3.14Å; A48-V52 PolarHBondContact O-N 2.9Å
49L97.9Very high98.3Very high23 Ų2372.2 Ų72.212%0.1239%0.393CS..Hα-helixtrans-62.4-42.7176.2-69.9176.4000112.3Y45 E46 S51 V52 T53 M100 L101Y45-L49 HydrophobicContact CD1-CD1 4.23Å; Y45-L49 HydrophobicContact CD2-CD1 4.43Å; Y45-L49 HydrophobicContact CD2-CG 4.31Å; Y45-L49 HydrophobicContact CE1-CD1 3.8Å; Y45-L49 HydrophobicContact CE2-CD1 4Å; Y45-L49 HydrophobicContact CE2-CD2 4.11Å; Y45-L49 HydrophobicContact CE2-CG 3.94Å; Y45-L49 PolarHBondContact O-N 3.46Å; E46-L49 PolarHBondContact O-N 3.12Å; E46-L49 VanDerWaalsContact O-N 3.14Å; L49-S51 PolarHBondContact O-N 3.35Å; L49-V52 WeakPolarHBondContact O-CB 3.35Å; L49-V52 PolarHBondContact O-N 2.91Å; L49-V52 VanDerWaalsContact O-N 3.13Å; L49-T53 PolarHBondContact O-N 2.92Å; L49-T53 PolarHBondContact O-OG1 3.26Å; L49-M100 HydrophobicContact CD1-CE 4.07Å; L49-L101 HydrophobicContact CB-CD1 3.83Å; L49-L101 HydrophobicContact CB-CD2 4.34Å; L49-L101 HydrophobicContact CD1-CD1 3.83Å
50T98.1Very high98.3Very high71 Ų7172.5 Ų72.544%0.43639%0.394SS..Hα-helixtrans-58.3-38.7173.4-57.10000111.9E46 T53 F54E46-T50 PolarHBondContact O-N 2.9Å; E46-T50 PolarHBondContact O-OG1 2.85Å; E46-T50 VanDerWaalsContact O-OG1 3.11Å; T50-T53 WeakPolarHBondContact O-CB 3.41Å; T50-T53 PolarHBondContact O-N 2.97Å; T50-F54 PolarHBondContact O-N 3.31Å
51S98.4Very high98.3Very high69 Ų6973.7 Ų73.748%0.48339%0.394SS..Hα-helixtrans-67.9-37.1177.7-54.90000111.9K47 A48 L49 F54 A55K47-S51 PolarHBondContact O-N 2.8Å; K47-S51 VanDerWaalsContact O-N 3.1Å; K47-S51 PolarHBondContact O-OG 3.42Å; A48-S51 WeakPolarHBondContact O-CB 3.39Å; A48-S51 PolarHBondContact O-N 3.33Å; A48-S51 VanDerWaalsContact O-N 3.14Å; L49-S51 PolarHBondContact O-N 3.35Å; S51-F54 PolarHBondContact O-N 3.48Å; S51-A55 PolarHBondContact O-N 3.15Å
52V98.4Very high98.3Very high80 Ų8070.9 Ų70.949%0.48539%0.388SS..Hα-helixtrans-62.3-47.1172.2171.40000110.6A48 L49 F54 A55 A56A48-V52 PolarHBondContact O-N 2.9Å; L49-V52 WeakPolarHBondContact O-CB 3.35Å; L49-V52 PolarHBondContact O-N 2.91Å; L49-V52 VanDerWaalsContact O-N 3.13Å; V52-F54 VanDerWaalsContact C-N 3.29Å; V52-F54 PolarHBondContact O-N 2.88Å; V52-A55 PolarHBondContact O-N 3.48Å; V52-A56 VanDerWaalsContact O-CB 3.27Å; V52-A56 WeakPolarHBondContact O-CB 3.43Å; V52-A56 PolarHBondContact O-N 3.34Å
53T97.6Very high98.3Very high21 Ų2171.6 Ų71.613%0.12939%0.391CS..Hα-helixtrans-54.9-44.9176.2-61.20000111.9L49 T50 A56 K57 Q94 E98L49-T53 PolarHBondContact O-N 2.92Å; L49-T53 PolarHBondContact O-OG1 3.26Å; T50-T53 WeakPolarHBondContact O-CB 3.41Å; T50-T53 PolarHBondContact O-N 2.97Å; T53-A56 PolarHBondContact O-N 3.49Å; T53-K57 PolarHBondContact O-N 2.93Å; T53-Q94 VanDerWaalsContact CG2-NE2 3.35Å; T53-Q94 PolarHBondContact OG1-NE2 3.44Å; T53-E98 HydrophobicContact CG2-CG 3.9Å; T53-E98 VanDerWaalsContact CG2-OE1 3.26Å; T53-E98 WeakPolarHBondContact CG2-OE1 3.38Å
54F97.3Very high98.3Very high169 Ų16969.1 Ų69.174%0.74138%0.383SS*.Hα-helixtrans-63.6-47.2177.9-179.2-97.3000112.4T50 S51 V52 A56 K57T50-F54 PolarHBondContact O-N 3.31Å; S51-F54 PolarHBondContact O-N 3.48Å; V52-F54 VanDerWaalsContact C-N 3.29Å; V52-F54 PolarHBondContact O-N 2.88Å; F54-A56 VanDerWaalsContact C-N 3.34Å; F54-A56 PolarHBondContact O-N 2.96Å; F54-K57 PolarHBondContact O-N 3.49Å
55A98.6Very high98.3Very high64 Ų6473.3 Ų73.353%0.52939%0.388SS..Hα-helixtrans-64.9-38.2178.700000112.4S51 V52 K57 G58 Y59S51-A55 PolarHBondContact O-N 3.15Å; V52-A55 PolarHBondContact O-N 3.48Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.4Å; A55-G58 PolarHBondContact O-N 3.49Å; A55-Y59 PolarHBondContact O-N 3.31Å; A55-Y59 VanDerWaalsContact O-N 3.15Å
56A98.5Very high98.3Very high15 Ų1572.2 Ų72.212%0.12439%0.389CS..Hα-helixtrans-58.9-42.1178.900000111.8V52 T53 F54 G58 Y59 F60V52-A56 VanDerWaalsContact O-CB 3.27Å; V52-A56 WeakPolarHBondContact O-CB 3.43Å; V52-A56 PolarHBondContact O-N 3.34Å; T53-A56 PolarHBondContact O-N 3.49Å; F54-A56 VanDerWaalsContact C-N 3.34Å; F54-A56 PolarHBondContact O-N 2.96Å; A56-G58 PolarHBondContact O-N 3.45Å; A56-Y59 WeakPolarHBondContact O-CB 3.36Å; A56-Y59 PolarHBondContact O-N 3.34Å; A56-Y59 VanDerWaalsContact O-N 3.16Å; A56-F60 HydrophobicContact CB-CE1 4.4Å; A56-F60 HydrophobicContact CB-CE2 3.85Å; A56-F60 HydrophobicContact CB-CZ 3.68Å; A56-F60 WeakPolarHBondContact O-CD1 3.48Å; A56-F60 VanDerWaalsContact O-CD2 3.31Å; A56-F60 WeakPolarHBondContact O-CD2 3.48Å; A56-F60 WeakPolarHBondContact O-CG 3.43Å; A56-F60 PolarHBondContact O-N 3.08Å
57K97.1Very high98.4Very high119 Ų11970.5 Ų70.552%0.51738%0.38SS..Hα-helixtrans-54.9-50175.5-172.4-172.6175.2-163.20111.8T53 F54 A55 Y59 F60 D61T53-K57 PolarHBondContact O-N 2.93Å; F54-K57 PolarHBondContact O-N 3.49Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.4Å; K57-Y59 VanDerWaalsContact C-N 3.3Å; K57-Y59 PolarHBondContact O-N 3.1Å; K57-F60 PolarHBondContact O-N 3.44Å; K57-D61 VanDerWaalsContact O-CG 3.26Å; K57-D61 PolarHBondContact O-N 3.35Å
58G98.3Very high98.4Very high45 Ų4567.7 Ų67.746%0.46437%0.37SS..Hα-helixtrans-62.5-35.7179.200000113.3A55 A56 A62A55-G58 PolarHBondContact O-N 3.49Å; A56-G58 PolarHBondContact O-N 3.45Å; G58-A62 WeakPolarHBondContact O-CB 3.16Å; G58-A62 PolarHBondContact O-N 3.01Å; G58-A62 VanDerWaalsContact O-N 3.12Å
59Y98.8Very high98.4Very high135 Ų13570.8 Ų70.853%0.52938%0.376SS..Hα-helixtrans-66.2-44.7174174.3-107000112.2A55 A56 K57 A62 L63A55-Y59 PolarHBondContact O-N 3.31Å; A55-Y59 VanDerWaalsContact O-N 3.15Å; A56-Y59 WeakPolarHBondContact O-CB 3.36Å; A56-Y59 PolarHBondContact O-N 3.34Å; A56-Y59 VanDerWaalsContact O-N 3.16Å; K57-Y59 VanDerWaalsContact C-N 3.3Å; K57-Y59 PolarHBondContact O-N 3.1Å; Y59-A62 PolarHBondContact O-N 2.89Å; Y59-L63 PolarHBondContact O-N 3.33Å
60F98.6Very high98.4Very high14 Ų1470.4 Ų70.46%0.06138%0.377CS..Hα-helixtrans-66.3-41.3178.9-52.3-26.2000111.8A56 K57 A62 L63 V64 H90 R91 Q94A56-F60 HydrophobicContact CB-CE1 4.4Å; A56-F60 HydrophobicContact CB-CE2 3.85Å; A56-F60 HydrophobicContact CB-CZ 3.68Å; A56-F60 WeakPolarHBondContact O-CD1 3.48Å; A56-F60 VanDerWaalsContact O-CD2 3.31Å; A56-F60 WeakPolarHBondContact O-CD2 3.48Å; A56-F60 WeakPolarHBondContact O-CG 3.43Å; A56-F60 PolarHBondContact O-N 3.08Å; K57-F60 PolarHBondContact O-N 3.44Å; F60-A62 VanDerWaalsContact C-N 3.3Å; F60-A62 PolarHBondContact O-N 3.19Å; F60-L63 WeakPolarHBondContact O-CB 3.13Å; F60-L63 PolarHBondContact O-N 3.28Å; F60-L63 VanDerWaalsContact O-N 3.11Å; F60-V64 WeakPolarHBondContact O-CG2 3.35Å; F60-V64 PolarHBondContact O-N 3.1Å; F60-H90 HydrophobicContact CD1-CB 3.66Å; F60-H90 HydrophobicContact CD2-CB 4.36Å; F60-H90 HydrophobicContact CE1-CB 3.36Å; F60-H90 AromaticContact CE1-CG 3.65Å; F60-H90 HydrophobicContact CE2-CB 4.08Å; F60-H90 HydrophobicContact CG-CB 4.19Å; F60-H90 HydrophobicContact CZ-CB 3.59Å; F60-R91 HydrophobicContact CD2-CG 4.14Å; F60-Q94 HydrophobicContact CE2-CB 3.94Å; F60-Q94 HydrophobicContact CE2-CG 4.17Å
61D98.6Very high98.3Very high68 Ų6868.6 Ų68.636%0.36437%0.367SS..Hα-helixtrans-63.2-38.3177.2-66.4-16.6000111.1K57 V64 R65 R91K57-D61 VanDerWaalsContact O-CG 3.26Å; K57-D61 PolarHBondContact O-N 3.35Å; D61-V64 PolarHBondContact O-N 3.07Å; D61-R65 PolarHBondContact O-N 3.45Å; D61-R65 VanDerWaalsContact O-N 3.1Å; D61-R91 IonicContact OD1-NH1 3.4Å; D61-R91 PolarHBondContact OD1-NH1 2.99Å
62A98.8Very high98.3Very high47 Ų4772.8 Ų72.839%0.38838%0.379SS..Hα-helixtrans-66.3-36.5172.900000112.6G58 Y59 F60 R65 M66G58-A62 WeakPolarHBondContact O-CB 3.16Å; G58-A62 PolarHBondContact O-N 3.01Å; G58-A62 VanDerWaalsContact O-N 3.12Å; Y59-A62 PolarHBondContact O-N 2.89Å; F60-A62 VanDerWaalsContact C-N 3.3Å; F60-A62 PolarHBondContact O-N 3.19Å; A62-R65 WeakPolarHBondContact O-CB 3.19Å; A62-R65 PolarHBondContact O-N 3.12Å; A62-M66 PolarHBondContact O-N 3.01Å
63L98.7Very high98.2Very high22 Ų2270.5 Ų70.512%0.11537%0.367CS..Hα-helixtrans-66.2-40.8175.8-171.963.9000111.8Y59 F60 R65 M66 G67 L83 M86 A87Y59-L63 PolarHBondContact O-N 3.33Å; F60-L63 WeakPolarHBondContact O-CB 3.13Å; F60-L63 PolarHBondContact O-N 3.28Å; F60-L63 VanDerWaalsContact O-N 3.11Å; L63-R65 VanDerWaalsContact C-N 3.34Å; L63-R65 PolarHBondContact O-N 3.45Å; L63-M66 WeakPolarHBondContact O-CB 3.36Å; L63-M66 PolarHBondContact O-N 2.98Å; L63-G67 PolarHBondContact O-N 3.28Å; L63-L83 HydrophobicContact CD1-CD2 3.65Å; L63-L83 HydrophobicContact CG-CD2 4.48Å; L63-M86 HydrophobicContact CD2-CB 3.92Å; L63-A87 HydrophobicContact CB-CB 4.48Å; L63-A87 HydrophobicContact CD2-CB 4.12Å; L63-A87 HydrophobicContact CG-CB 4.42Å
64V98.8Very high98Very high42 Ų4276.6 Ų76.626%0.25539%0.394SS..Hα-helixtrans-59.3-45.6173.1172.10000110.5F60 D61 M66 G67 E68 F84 A87F60-V64 WeakPolarHBondContact O-CG2 3.35Å; F60-V64 PolarHBondContact O-N 3.1Å; D61-V64 PolarHBondContact O-N 3.07Å; V64-M66 VanDerWaalsContact C-N 3.27Å; V64-M66 PolarHBondContact O-N 3.29Å; V64-G67 CarbonylContact O-C 3.54Å; V64-G67 VanDerWaalsContact O-CA 3.28Å; V64-G67 WeakPolarHBondContact O-CA 3.37Å; V64-G67 PolarHBondContact O-N 3.38Å; V64-E68 PolarHBondContact O-N 3.35Å; V64-F84 HydrophobicContact CG1-CD1 4.14Å; V64-F84 HydrophobicContact CG1-CE1 3.93Å; V64-F84 WeakPolarHBondContact O-CE1 3.33Å; V64-A87 HydrophobicContact CG2-CB 3.54Å
65R98.8Very high97.9Very high161 Ų16170.2 Ų70.261%0.60838%0.376SS*.Hα-helixtrans-57-40.2176.2-174.6-175.1-65.9152.10.4112.7D61 A62 L63 G67 E68 M69D61-R65 PolarHBondContact O-N 3.45Å; D61-R65 VanDerWaalsContact O-N 3.1Å; A62-R65 WeakPolarHBondContact O-CB 3.19Å; A62-R65 PolarHBondContact O-N 3.12Å; L63-R65 VanDerWaalsContact C-N 3.34Å; L63-R65 PolarHBondContact O-N 3.45Å; R65-G67 VanDerWaalsContact C-N 3.29Å; R65-G67 PolarHBondContact O-N 3.38Å; R65-E68 PolarHBondContact O-N 3.48Å; R65-M69 WeakPolarHBondContact O-CG 3.37Å; R65-M69 PolarHBondContact O-N 2.92Å; R65-M69 VanDerWaalsContact O-N 3.16Å
66M98.7Very high97.8Very high106 Ų10669.3 Ų69.352%0.52237%0.366SS..Hα-helixtrans-64.7-36.1174-66.2-58.1-58.100111.8A62 L63 V64 M69 A70 L83A62-M66 PolarHBondContact O-N 3.01Å; L63-M66 WeakPolarHBondContact O-CB 3.36Å; L63-M66 PolarHBondContact O-N 2.98Å; V64-M66 VanDerWaalsContact C-N 3.27Å; V64-M66 PolarHBondContact O-N 3.29Å; M66-M69 PolarHBondContact O-N 3.32Å; M66-M69 HydrophobicContact SD-SD 4.34Å; M66-A70 WeakPolarHBondContact O-CB 3.43Å; M66-A70 PolarHBondContact O-N 3Å; M66-L83 HydrophobicContact CB-CD1 4.12Å
67G98.6Very high97.6Very high0 Ų074.3 Ų74.30%038%0.384CS..Hα-helixtrans-61.9-41.5172.700000113.3L63 V64 R65 A70 S71 G80 F84L63-G67 PolarHBondContact O-N 3.28Å; V64-G67 CarbonylContact O-C 3.54Å; V64-G67 VanDerWaalsContact O-CA 3.28Å; V64-G67 WeakPolarHBondContact O-CA 3.37Å; V64-G67 PolarHBondContact O-N 3.38Å; R65-G67 VanDerWaalsContact C-N 3.29Å; R65-G67 PolarHBondContact O-N 3.38Å; G67-A70 PolarHBondContact O-N 2.76Å; G67-S71 WeakPolarHBondContact O-CB 2.87Å; G67-S71 PolarHBondContact O-N 2.94Å; G67-S71 PolarHBondContact O-OG 2.97Å; G67-G80 WeakPolarHBondContact O-CA 3.43Å; G67-F84 VanDerWaalsContact C-CZ 3.42Å
68E98.8Very high97.4Very high96 Ų9672.4 Ų72.445%0.44938%0.38SS..Hα-helixtrans-60.2-50.1174.9-65.9168.416400110.8V64 R65 A70 S71 E72 F84V64-E68 PolarHBondContact O-N 3.35Å; R65-E68 PolarHBondContact O-N 3.48Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 3.01Å; E68-S71 WeakPolarHBondContact O-CB 3.5Å; E68-S71 PolarHBondContact O-N 2.91Å; E68-S71 VanDerWaalsContact O-N 3.15Å; E68-E72 WeakPolarHBondContact O-CG 3.44Å; E68-E72 PolarHBondContact O-N 2.85Å; E68-F84 HydrophobicContact CG-CE1 3.95Å; E68-F84 HydrophobicContact CG-CZ 3.94Å
69M98.6Very high97.4Very high119 Ų11972.8 Ų72.859%0.58637%0.371SS*.Hα-helixtrans-59.6-40.5178-66.7-178.168.800112.7R65 M66 S73R65-M69 WeakPolarHBondContact O-CG 3.37Å; R65-M69 PolarHBondContact O-N 2.92Å; R65-M69 VanDerWaalsContact O-N 3.16Å; M66-M69 PolarHBondContact O-N 3.32Å; M66-M69 HydrophobicContact SD-SD 4.34Å; M69-S73 PolarHBondContact O-N 3.38Å
70A98.1Very high97.3Very high16 Ų1666.3 Ų66.313%0.13235%0.346CS..Hα-helixtrans-68.6-39.5176.900000111.9M66 G67 E68 E72 S73 S76 L83M66-A70 WeakPolarHBondContact O-CB 3.43Å; M66-A70 PolarHBondContact O-N 3Å; G67-A70 PolarHBondContact O-N 2.76Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 3.01Å; A70-E72 VanDerWaalsContact C-N 3.29Å; A70-E72 PolarHBondContact O-N 2.75Å; A70-S73 VanDerWaalsContact O-CB 3.23Å; A70-S73 WeakPolarHBondContact O-CB 3.46Å; A70-S73 PolarHBondContact O-N 3.41Å; A70-S73 VanDerWaalsContact O-N 3.08Å; A70-S73 PolarHBondContact O-OG 3.15Å; A70-S76 CarbonylContact O-C 3.42Å; A70-L83 HydrophobicContact CB-CD1 4.21Å
71S97.7Very high97.3Very high33 Ų3370.2 Ų70.223%0.23137%0.367CS..Hα-helixtrans-64.5-32.5178.8-59.20000113.1G67 E68 S73 K77 G80 F84G67-S71 WeakPolarHBondContact O-CB 2.87Å; G67-S71 PolarHBondContact O-N 2.94Å; G67-S71 PolarHBondContact O-OG 2.97Å; E68-S71 WeakPolarHBondContact O-CB 3.5Å; E68-S71 PolarHBondContact O-N 2.91Å; E68-S71 VanDerWaalsContact O-N 3.15Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S71-K77 WeakPolarHBondContact O-CG 3.46Å; S71-G80 WeakPolarHBondContact OG-CA 3.45Å; S71-F84 VanDerWaalsContact OG-CE2 3.27Å; S71-F84 WeakPolarHBondContact OG-CE2 3.26Å
72E97.4Very high97.3Very high156 Ų15667.5 Ų67.573%0.72935%0.353SS*.Hα-helixtrans-82.9-12.2175.8-67.6176.6178.800113.1E68 A70E68-E72 WeakPolarHBondContact O-CG 3.44Å; E68-E72 PolarHBondContact O-N 2.85Å; A70-E72 VanDerWaalsContact C-N 3.29Å; A70-E72 PolarHBondContact O-N 2.75Å
73S96.6Very high97.3Very high32 Ų3267.1 Ų67.122%0.22434%0.344CS..SBendtrans-69.2158.4-178.881.40000112.6M69 A70 S71 S76 K77M69-S73 PolarHBondContact O-N 3.38Å; A70-S73 VanDerWaalsContact O-CB 3.23Å; A70-S73 WeakPolarHBondContact O-CB 3.46Å; A70-S73 PolarHBondContact O-N 3.41Å; A70-S73 VanDerWaalsContact O-N 3.08Å; A70-S73 PolarHBondContact O-OG 3.15Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S73-S76 WeakPolarHBondContact OG-CA 3.35Å; S73-S76 WeakPolarHBondContact OG-CB 3.28Å; S73-S76 PolarHBondContact OG-N 2.89Å; S73-K77 WeakPolarHBondContact O-CE 3.29Å; S73-K77 VanDerWaalsContact O-CG 3.25Å; S73-K77 WeakPolarHBondContact O-CG 3.47Å
74Q93.9Very high97.3Very high149 Ų14969.3 Ų69.370%0.69635%0.353SS*.SBendtrans-78.3-22.7176.3-62.9-59.7-34.100113.1P244Q74-P244 WeakPolarHBondContact O-CG 3.31Å
75G94.1Very high97.2Very high36 Ų3670.6 Ų70.637%0.37136%0.356SS..SBendtrans-116-14.2-167.100000115.9
76S96.4Very high97.2Very high45 Ų4565.6 Ų65.632%0.31534%0.34SS..  trans-139.730.9-161.6-54.80000113.1A70 S73 D78 L79 G80A70-S76 CarbonylContact O-C 3.42Å; S73-S76 WeakPolarHBondContact OG-CA 3.35Å; S73-S76 WeakPolarHBondContact OG-CB 3.28Å; S73-S76 PolarHBondContact OG-N 2.89Å; S76-D78 VanDerWaalsContact C-N 3.32Å; S76-D78 PolarHBondContact O-N 3.48Å; S76-L79 WeakPolarHBondContact O-CB 3.38Å; S76-L79 PolarHBondContact O-N 3.46Å; S76-L79 VanDerWaalsContact O-N 3.15Å; S76-G80 PolarHBondContact O-N 3.43Å
77K94.9Very high97.2Very high119 Ų11960.7 Ų60.752%0.51732%0.317SS..Hα-helixtrans-61.6-40.9-176.4-63.1-164.5170.9-170.30112.7S71 S73 L79 G80 D81S71-K77 WeakPolarHBondContact O-CG 3.46Å; S73-K77 WeakPolarHBondContact O-CE 3.29Å; S73-K77 VanDerWaalsContact O-CG 3.25Å; S73-K77 WeakPolarHBondContact O-CG 3.47Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 3.18Å; K77-G80 WeakPolarHBondContact O-CA 3.3Å; K77-G80 PolarHBondContact O-N 3.41Å; K77-D81 PolarHBondContact O-N 2.94Å
78D93.4Very high97.2Very high79 Ų7965 Ų6542%0.42234%0.337SS..Hα-helixtrans-61.2-3417557-20.7000112.9S76 G80 D81 V82 V236S76-D78 VanDerWaalsContact C-N 3.32Å; S76-D78 PolarHBondContact O-N 3.48Å; D78-G80 VanDerWaalsContact C-N 3.28Å; D78-G80 PolarHBondContact O-N 3.44Å; D78-D81 PolarHBondContact O-N 3.24Å; D78-V82 PolarHBondContact O-N 2.61Å; D78-V236 HydrophobicContact CB-CG1 4.32Å
79L97Very high97.2Very high53 Ų5360.6 Ų60.628%0.27732%0.317SS..Hα-helixtrans-68.4-26.9172.4-64.5177000112.6S76 K77 V82 L83 V236S76-L79 WeakPolarHBondContact O-CB 3.38Å; S76-L79 PolarHBondContact O-N 3.46Å; S76-L79 VanDerWaalsContact O-N 3.15Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 3.18Å; L79-V82 PolarHBondContact O-N 3.4Å; L79-L83 VanDerWaalsContact O-CG 3.32Å; L79-L83 WeakPolarHBondContact O-CG 2.85Å; L79-L83 PolarHBondContact O-N 3.12Å; L79-V236 HydrophobicContact CD2-CB 4.47Å; L79-V236 HydrophobicContact CD2-CG1 3.67Å; L79-V236 HydrophobicContact CG-CG1 4.45Å
80G97.8Very high97.2Very high0 Ų057.6 Ų57.60%030%0.301CS..Hα-helixtrans-60.5-49.5171.500000112.2G67 S71 S76 K77 D78 V82 L83 F84G67-G80 WeakPolarHBondContact O-CA 3.43Å; S71-G80 WeakPolarHBondContact OG-CA 3.45Å; S76-G80 PolarHBondContact O-N 3.43Å; K77-G80 WeakPolarHBondContact O-CA 3.3Å; K77-G80 PolarHBondContact O-N 3.41Å; D78-G80 VanDerWaalsContact C-N 3.28Å; D78-G80 PolarHBondContact O-N 3.44Å; G80-V82 VanDerWaalsContact C-N 3.28Å; G80-V82 PolarHBondContact O-N 2.95Å; G80-L83 PolarHBondContact O-N 3.34Å; G80-L83 VanDerWaalsContact O-N 3.16Å; G80-F84 VanDerWaalsContact O-CD2 3.28Å; G80-F84 WeakPolarHBondContact O-CD2 3.45Å; G80-F84 WeakPolarHBondContact O-CG 3.28Å; G80-F84 PolarHBondContact O-N 3.49Å
81D97.2Very high97.3Very high95 Ų9562 Ų6251%0.50831%0.314SS..Hα-helixtrans-60.5-36.7176.2-70.6-30.9000112.5K77 D78 Q85K77-D81 PolarHBondContact O-N 2.94Å; D78-D81 PolarHBondContact O-N 3.24Å; D81-Q85 VanDerWaalsContact O-CG 3.29Å; D81-Q85 WeakPolarHBondContact O-CG 3.48Å; D81-Q85 PolarHBondContact O-N 2.98Å; D81-Q85 PolarHBondContact O-NE2 2.93Å
82V98.3Very high97.3Very high11 Ų1163.2 Ų63.27%0.06732%0.316CS..Hα-helixtrans-62.9-47.7174.8169.30000110.9D78 L79 G80 F84 Q85 M86 W233 V236D78-V82 PolarHBondContact O-N 2.61Å; L79-V82 PolarHBondContact O-N 3.4Å; G80-V82 VanDerWaalsContact C-N 3.28Å; G80-V82 PolarHBondContact O-N 2.95Å; V82-F84 VanDerWaalsContact C-N 3.35Å; V82-F84 PolarHBondContact O-N 3.18Å; V82-Q85 PolarHBondContact O-N 2.94Å; V82-M86 HydrophobicContact CG1-CG 4.41Å; V82-M86 HydrophobicContact CG1-SD 4.02Å; V82-M86 VanDerWaalsContact O-CG 3.31Å; V82-M86 WeakPolarHBondContact O-CG 3.29Å; V82-M86 PolarHBondContact O-N 2.93Å; V82-W233 HydrophobicContact CG1-CB 3.98Å; V82-W233 HydrophobicContact CG1-CG 3.87Å; V82-V236 HydrophobicContact CG2-CB 3.99Å; V82-V236 HydrophobicContact CG2-CG1 4Å; V82-V236 HydrophobicContact CG2-CG2 3.94Å
83L98.7Very high97.3Very high39 Ų3956.6 Ų56.620%0.20429%0.286CS..Hα-helixtrans-63.4-39.3-179.9-69.3168000112.2L63 M66 A70 L79 G80 M86 A87L63-L83 HydrophobicContact CD1-CD2 3.65Å; L63-L83 HydrophobicContact CG-CD2 4.48Å; M66-L83 HydrophobicContact CB-CD1 4.12Å; A70-L83 HydrophobicContact CB-CD1 4.21Å; L79-L83 VanDerWaalsContact O-CG 3.32Å; L79-L83 WeakPolarHBondContact O-CG 2.85Å; L79-L83 PolarHBondContact O-N 3.12Å; G80-L83 PolarHBondContact O-N 3.34Å; G80-L83 VanDerWaalsContact O-N 3.16Å; L83-M86 HydrophobicContact CD2-SD 4.39Å; L83-M86 PolarHBondContact O-N 3.27Å; L83-A87 PolarHBondContact O-N 3.48Å
84F98.7Very high97.4Very high69 Ų6956.1 Ų56.130%0.30328%0.28SS..Hα-helixtrans-61.8-45.3172.6-63.8-39.6000112.2V64 G67 E68 S71 G80 V82 M86 A87 E88V64-F84 HydrophobicContact CG1-CD1 4.14Å; V64-F84 HydrophobicContact CG1-CE1 3.93Å; V64-F84 WeakPolarHBondContact O-CE1 3.33Å; G67-F84 VanDerWaalsContact C-CZ 3.42Å; E68-F84 HydrophobicContact CG-CE1 3.95Å; E68-F84 HydrophobicContact CG-CZ 3.94Å; S71-F84 VanDerWaalsContact OG-CE2 3.27Å; S71-F84 WeakPolarHBondContact OG-CE2 3.26Å; G80-F84 VanDerWaalsContact O-CD2 3.28Å; G80-F84 WeakPolarHBondContact O-CD2 3.45Å; G80-F84 WeakPolarHBondContact O-CG 3.28Å; G80-F84 PolarHBondContact O-N 3.49Å; V82-F84 VanDerWaalsContact C-N 3.35Å; V82-F84 PolarHBondContact O-N 3.18Å; F84-M86 VanDerWaalsContact C-N 3.31Å; F84-M86 PolarHBondContact O-N 3.47Å; F84-A87 PolarHBondContact O-N 2.96Å; F84-E88 WeakPolarHBondContact O-CB 3.35Å; F84-E88 PolarHBondContact O-N 3.45Å
85Q98.5Very high97.6Very high68 Ų6853 Ų5332%0.31827%0.268SS..Hα-helixtrans-62.7-37.4176.6-73.717859.700112.5D81 V82 E88 V89 W233D81-Q85 VanDerWaalsContact O-CG 3.29Å; D81-Q85 WeakPolarHBondContact O-CG 3.48Å; D81-Q85 PolarHBondContact O-N 2.98Å; D81-Q85 PolarHBondContact O-NE2 2.93Å; V82-Q85 PolarHBondContact O-N 2.94Å; Q85-E88 PolarHBondContact O-N 3.19Å; Q85-V89 WeakPolarHBondContact O-CG2 3.4Å; Q85-V89 PolarHBondContact O-N 3.47Å; Q85-W233 HydrophobicContact CB-CZ2 4.28Å
86M98.8Very high97.8Very high56 Ų5653.5 Ų53.528%0.27626%0.26SS..Hα-helixtrans-63.6-47.6175.9-69.8174.679.600111.4L63 V82 L83 F84 E88 V89 H90 W233L63-M86 HydrophobicContact CD2-CB 3.92Å; V82-M86 HydrophobicContact CG1-CG 4.41Å; V82-M86 HydrophobicContact CG1-SD 4.02Å; V82-M86 VanDerWaalsContact O-CG 3.31Å; V82-M86 WeakPolarHBondContact O-CG 3.29Å; V82-M86 PolarHBondContact O-N 2.93Å; L83-M86 HydrophobicContact CD2-SD 4.39Å; L83-M86 PolarHBondContact O-N 3.27Å; F84-M86 VanDerWaalsContact C-N 3.31Å; F84-M86 PolarHBondContact O-N 3.47Å; M86-E88 VanDerWaalsContact C-N 3.29Å; M86-E88 PolarHBondContact O-N 3.35Å; M86-V89 PolarHBondContact O-N 2.9Å; M86-H90 WeakPolarHBondContact O-CB 3.28Å; M86-H90 PolarHBondContact O-CD2 3.38Å; M86-H90 PolarHBondContact O-N 3.5Å; M86-W233 HydrophobicContact CB-CH2 4.22Å; M86-W233 HydrophobicContact CB-CZ2 4.21Å; M86-W233 HydrophobicContact CE-CE3 4.46Å; M86-W233 HydrophobicContact CG-CD2 3.68Å; M86-W233 HydrophobicContact CG-CE3 3.76Å; M86-W233 HydrophobicContact CG-CG 4.38Å; M86-W233 HydrophobicContact CG-CH2 3.73Å; M86-W233 HydrophobicContact CG-CZ2 3.63Å; M86-W233 HydrophobicContact CG-CZ3 3.8Å; M86-W233 HydrophobicContact SD-CD2 4.48Å; M86-W233 HydrophobicContact SD-CE3 4.47Å
87A98.7Very high97.9Very high3 Ų352 Ų523%0.02525%0.249CC..Hα-helixtrans-60.5-40.4176.700000111.8L63 V64 L83 F84 H90 R91L63-A87 HydrophobicContact CB-CB 4.48Å; L63-A87 HydrophobicContact CD2-CB 4.12Å; L63-A87 HydrophobicContact CG-CB 4.42Å; V64-A87 HydrophobicContact CG2-CB 3.54Å; L83-A87 PolarHBondContact O-N 3.48Å; F84-A87 PolarHBondContact O-N 2.96Å; A87-H90 PolarHBondContact O-N 3.4Å; A87-R91 PolarHBondContact O-N 3.1Å
88E98.6Very high98Very high90 Ų9049.8 Ų49.842%0.42124%0.24SC..Hα-helixtrans-68.3-44.2178.9178.950-148.400112.7F84 Q85 M86 H90 R91 Q92F84-E88 WeakPolarHBondContact O-CB 3.35Å; F84-E88 PolarHBondContact O-N 3.45Å; Q85-E88 PolarHBondContact O-N 3.19Å; M86-E88 VanDerWaalsContact C-N 3.29Å; M86-E88 PolarHBondContact O-N 3.35Å; E88-H90 PolarHBondContact O-N 2.95Å; E88-R91 PolarHBondContact O-N 3.17Å; E88-R91 VanDerWaalsContact O-N 3.15Å; E88-Q92 WeakPolarHBondContact O-CG 3.44Å; E88-Q92 PolarHBondContact O-N 2.98Å; E88-Q92 WeakPolarHBondContact OE1-CG 3.39Å; E88-Q92 PolarHBondContact OE1-NE2 3.32Å
89V98.8Very high98.1Very high5 Ų550.5 Ų50.53%0.0324%0.241CC..Hα-helixtrans-57.1-43.3173.1165.10000110.7Q85 M86 Q92 I93 L225 L226 K229 W233Q85-V89 WeakPolarHBondContact O-CG2 3.4Å; Q85-V89 PolarHBondContact O-N 3.47Å; M86-V89 PolarHBondContact O-N 2.9Å; V89-Q92 PolarHBondContact O-N 3.35Å; V89-I93 HydrophobicContact CG1-CD1 3.88Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.27Å; V89-I93 PolarHBondContact O-N 3.27Å; V89-I93 VanDerWaalsContact O-N 3.08Å; V89-L225 HydrophobicContact CG1-CB 3.88Å; V89-L225 HydrophobicContact CG1-CD1 4.33Å; V89-L226 HydrophobicContact CG1-CD2 3.82Å; V89-L226 HydrophobicContact CG1-CG 4.35Å; V89-K229 HydrophobicContact CG2-CG 4.02Å; V89-W233 HydrophobicContact CB-CH2 3.99Å; V89-W233 HydrophobicContact CB-CZ2 4.35Å; V89-W233 HydrophobicContact CG1-CH2 4.16Å; V89-W233 HydrophobicContact CG2-CH2 3.92Å; V89-W233 HydrophobicContact CG2-CZ2 3.89Å
90H98.6Very high98.1Very high55 Ų5548.6 Ų48.626%0.25523%0.231SC..Hα-helixtrans-63.6-41.6176.1-84.6-54.6000113.1F60 M86 A87 E88 Q92 I93 Q94F60-H90 HydrophobicContact CD1-CB 3.66Å; F60-H90 HydrophobicContact CD2-CB 4.36Å; F60-H90 HydrophobicContact CE1-CB 3.36Å; F60-H90 AromaticContact CE1-CG 3.65Å; F60-H90 HydrophobicContact CE2-CB 4.08Å; F60-H90 HydrophobicContact CG-CB 4.19Å; F60-H90 HydrophobicContact CZ-CB 3.59Å; M86-H90 WeakPolarHBondContact O-CB 3.28Å; M86-H90 PolarHBondContact O-CD2 3.38Å; M86-H90 PolarHBondContact O-N 3.5Å; A87-H90 PolarHBondContact O-N 3.4Å; E88-H90 PolarHBondContact O-N 2.95Å; H90-Q92 PolarHBondContact O-N 3.42Å; H90-I93 PolarHBondContact O-N 3Å; H90-Q94 VanDerWaalsContact O-CB 3.31Å; H90-Q94 WeakPolarHBondContact O-CB 3.33Å; H90-Q94 PolarHBondContact O-N 3.4Å
91R98.6Very high98.1Very high108 Ų10849.4 Ų49.441%0.40824%0.235SC..Hα-helixtrans-59.3-44.5173.2-79.6-174.2106.5100.9-4.4111.9F60 D61 A87 E88 I93 Q94 I95F60-R91 HydrophobicContact CD2-CG 4.14Å; D61-R91 IonicContact OD1-NH1 3.4Å; D61-R91 PolarHBondContact OD1-NH1 2.99Å; A87-R91 PolarHBondContact O-N 3.1Å; E88-R91 PolarHBondContact O-N 3.17Å; E88-R91 VanDerWaalsContact O-N 3.15Å; R91-I93 VanDerWaalsContact C-N 3.35Å; R91-I93 PolarHBondContact O-N 2.72Å; R91-Q94 WeakPolarHBondContact O-CB 3.33Å; R91-Q94 PolarHBondContact O-N 3.48Å; R91-I95 WeakPolarHBondContact O-CG1 3.48Å; R91-I95 PolarHBondContact O-N 3.44Å
92Q98.4Very high98.1Very high59 Ų5951 Ų5128%0.27624%0.237SC..Hα-helixtrans-63.2-40.5179.1-69.4179.637.600112.6E88 V89 H90 Q94 I95 Q96 L225E88-Q92 WeakPolarHBondContact O-CG 3.44Å; E88-Q92 PolarHBondContact O-N 2.98Å; E88-Q92 WeakPolarHBondContact OE1-CG 3.39Å; E88-Q92 PolarHBondContact OE1-NE2 3.32Å; V89-Q92 PolarHBondContact O-N 3.35Å; H90-Q92 PolarHBondContact O-N 3.42Å; Q92-Q94 VanDerWaalsContact C-N 3.33Å; Q92-I95 PolarHBondContact O-N 3.04Å; Q92-Q96 PolarHBondContact O-N 2.87Å; Q92-L225 HydrophobicContact CB-CD1 3.73Å
93I98.5Very high98Very high18 Ų1851 Ų519%0.09224%0.237CC..Hα-helixtrans-64.5-41.5174.2-67.3170.7000110.5V89 H90 R91 Q96 L97 Y218 L225 L226V89-I93 HydrophobicContact CG1-CD1 3.88Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.27Å; V89-I93 PolarHBondContact O-N 3.27Å; V89-I93 VanDerWaalsContact O-N 3.08Å; H90-I93 PolarHBondContact O-N 3Å; R91-I93 VanDerWaalsContact C-N 3.35Å; R91-I93 PolarHBondContact O-N 2.72Å; I93-Q96 PolarHBondContact O-N 2.75Å; I93-L97 PolarHBondContact O-N 3.38Å; I93-L97 VanDerWaalsContact O-N 3.08Å; I93-Y218 HydrophobicContact CG2-CD2 4.3Å; I93-Y218 HydrophobicContact CG2-CE2 3.55Å; I93-L225 HydrophobicContact CG1-CD1 4.05Å; I93-L226 HydrophobicContact CD1-CD1 4.09Å; I93-L226 HydrophobicContact CD1-CD2 4.46Å; I93-L226 HydrophobicContact CD1-CG 4.05Å
94Q98.4Very high98Very high21 Ų2149.7 Ų49.710%0.09823%0.23CC..Hα-helixtrans-64.7-38.4179-17458.454.600112.5T53 F60 H90 R91 Q92 Q96 L97 E98T53-Q94 VanDerWaalsContact CG2-NE2 3.35Å; T53-Q94 PolarHBondContact OG1-NE2 3.44Å; F60-Q94 HydrophobicContact CE2-CB 3.94Å; F60-Q94 HydrophobicContact CE2-CG 4.17Å; H90-Q94 VanDerWaalsContact O-CB 3.31Å; H90-Q94 WeakPolarHBondContact O-CB 3.33Å; H90-Q94 PolarHBondContact O-N 3.4Å; R91-Q94 WeakPolarHBondContact O-CB 3.33Å; R91-Q94 PolarHBondContact O-N 3.48Å; Q92-Q94 VanDerWaalsContact C-N 3.33Å; Q94-Q96 VanDerWaalsContact C-N 3.31Å; Q94-Q96 PolarHBondContact O-N 2.71Å; Q94-L97 WeakPolarHBondContact O-CB 3.34Å; Q94-L97 PolarHBondContact O-N 3.03Å; Q94-L97 VanDerWaalsContact O-N 3.14Å; Q94-E98 WeakPolarHBondContact O-CG 3.3Å; Q94-E98 PolarHBondContact O-N 3.21Å
95I97.6Very high98Very high85 Ų8549.9 Ų49.944%0.43623%0.232SC..Hα-helixtrans-59.3-43.5174.3-70.6164.3000110.7R91 Q92 L97 E98 E99R91-I95 WeakPolarHBondContact O-CG1 3.48Å; R91-I95 PolarHBondContact O-N 3.44Å; Q92-I95 PolarHBondContact O-N 3.04Å; I95-L97 VanDerWaalsContact C-N 3.33Å; I95-L97 PolarHBondContact O-N 3.5Å; I95-E98 WeakPolarHBondContact O-CB 3.39Å; I95-E98 PolarHBondContact O-N 3.44Å; I95-E99 PolarHBondContact O-N 3.46Å
96Q97.8Very high97.9Very high46 Ų4651.3 Ų51.322%0.21524%0.242CC..Hα-helixtrans-65.9-34.8176.1-71.9-62.7-60.100112.8Q92 I93 Q94 E98 E99 M100 Y218 K221Q92-Q96 PolarHBondContact O-N 2.87Å; I93-Q96 PolarHBondContact O-N 2.75Å; Q94-Q96 VanDerWaalsContact C-N 3.31Å; Q94-Q96 PolarHBondContact O-N 2.71Å; Q96-E98 VanDerWaalsContact C-N 3.33Å; Q96-E99 PolarHBondContact NE2-OE2 3Å; Q96-E99 PolarHBondContact O-N 3.35Å; Q96-E99 PolarHBondContact OE1-OE2 2.87Å; Q96-M100 PolarHBondContact O-N 2.87Å; Q96-Y218 HydrophobicContact CB-CD2 4.14Å; Q96-K221 HydrophobicContact CG-CB 4Å; Q96-K221 HydrophobicContact CG-CG 3.84Å
97L97.9Very high97.8Very high14 Ų1452 Ų527%0.07324%0.244CC..Hα-helixtrans-63.8-40172.8179.459.9000111.5I93 Q94 I95 M100 L101 Y218I93-L97 PolarHBondContact O-N 3.38Å; I93-L97 VanDerWaalsContact O-N 3.08Å; Q94-L97 WeakPolarHBondContact O-CB 3.34Å; Q94-L97 PolarHBondContact O-N 3.03Å; Q94-L97 VanDerWaalsContact O-N 3.14Å; I95-L97 VanDerWaalsContact C-N 3.33Å; I95-L97 PolarHBondContact O-N 3.5Å; L97-M100 HydrophobicContact CD1-CE 3.52Å; L97-M100 HydrophobicContact CD1-SD 4.33Å; L97-M100 WeakPolarHBondContact O-CB 3.43Å; L97-M100 PolarHBondContact O-N 3.35Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 PolarHBondContact O-N 3.42Å; L97-Y218 HydrophobicContact CB-CD2 3.93Å; L97-Y218 HydrophobicContact CB-CE2 3.75Å; L97-Y218 HydrophobicContact CD1-CE1 4.48Å; L97-Y218 HydrophobicContact CD1-CE2 4.4Å
98E97.6Very high97.8Very high71 Ų7151.9 Ų51.933%0.33224%0.243SC..Hα-helixtrans-65.8-38175.8-71.3176.3-159.600112.6T53 Q94 I95 Q96 L101 K102T53-E98 HydrophobicContact CG2-CG 3.9Å; T53-E98 VanDerWaalsContact CG2-OE1 3.26Å; T53-E98 WeakPolarHBondContact CG2-OE1 3.38Å; Q94-E98 WeakPolarHBondContact O-CG 3.3Å; Q94-E98 PolarHBondContact O-N 3.21Å; I95-E98 WeakPolarHBondContact O-CB 3.39Å; I95-E98 PolarHBondContact O-N 3.44Å; Q96-E98 VanDerWaalsContact C-N 3.33Å; E98-L101 PolarHBondContact O-N 3.33Å; E98-K102 VanDerWaalsContact O-CG 3.31Å; E98-K102 WeakPolarHBondContact O-CG 3.38Å; E98-K102 PolarHBondContact O-N 3.25Å
99E96.4Very high97.8Very high95 Ų9547.7 Ų47.744%0.44422%0.223SC..Hα-helixtrans-62.7-44.8172.8-72.6176.7179.400111.6I95 Q96 L101 K102 S103I95-E99 PolarHBondContact O-N 3.46Å; Q96-E99 PolarHBondContact NE2-OE2 3Å; Q96-E99 PolarHBondContact O-N 3.35Å; Q96-E99 PolarHBondContact OE1-OE2 2.87Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 2.8Å; E99-K102 PolarHBondContact O-N 2.89Å; E99-S103 PolarHBondContact O-N 2.92Å
100M96.7Very high97.8Very high13 Ų1349.9 Ų49.96%0.06424%0.237CC..Hα-helixtrans-58.3-43.2172.9-176.1-158.280.300111.4L49 Q96 L97 S103 F104 N214 S215L49-M100 HydrophobicContact CD1-CE 4.07Å; Q96-M100 PolarHBondContact O-N 2.87Å; L97-M100 HydrophobicContact CD1-CE 3.52Å; L97-M100 HydrophobicContact CD1-SD 4.33Å; L97-M100 WeakPolarHBondContact O-CB 3.43Å; L97-M100 PolarHBondContact O-N 3.35Å; M100-S103 PolarHBondContact O-N 3.42Å; M100-F104 WeakPolarHBondContact O-CB 3.34Å; M100-F104 PolarHBondContact O-N 3.45Å; M100-N214 HydrophobicContact CB-CB 4.3Å; M100-N214 HydrophobicContact CG-CB 4.17Å; M100-S215 PolarHBondContact SD-OG 2.83Å
101L98Very high97.8Very high17 Ų1750.4 Ų50.49%0.08924%0.24CC..Hα-helixtrans-66.2-40.6179.6-170.362.5000112.2E46 L49 L97 E98 E99 F104 H105E46-L101 HydrophobicContact CB-CD1 4.39Å; E46-L101 HydrophobicContact CG-CD1 3.79Å; E46-L101 HydrophobicContact CG-CG 4.48Å; L49-L101 HydrophobicContact CB-CD1 3.83Å; L49-L101 HydrophobicContact CB-CD2 4.34Å; L49-L101 HydrophobicContact CD1-CD1 3.83Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 PolarHBondContact O-N 3.42Å; E98-L101 PolarHBondContact O-N 3.33Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 2.8Å; L101-F104 WeakPolarHBondContact O-CB 3.28Å; L101-F104 PolarHBondContact O-N 2.98Å; L101-H105 PolarHBondContact O-N 3.39Å
102K97Very high97.8Very high128 Ų12845.3 Ų45.356%0.55722%0.221SC*.Hα-helixtrans-61.1-44173.8-74.3169.6-175.51700111.7E98 E99 H105 N106E98-K102 VanDerWaalsContact O-CG 3.31Å; E98-K102 WeakPolarHBondContact O-CG 3.38Å; E98-K102 PolarHBondContact O-N 3.25Å; E99-K102 PolarHBondContact O-N 2.89Å; K102-H105 PolarHBondContact O-N 3.46Å; K102-N106 WeakPolarHBondContact O-CB 3.27Å; K102-N106 PolarHBondContact O-N 3.44Å; K102-N106 PolarHBondContact O-ND2 3.31Å
103S96.5Very high97.8Very high10 Ų1045.7 Ų45.77%0.0722%0.222CC..Hα-helixtrans-64.4-42.9174.6175.30000111.7E99 M100 H105 N106 E107 N214E99-S103 PolarHBondContact O-N 2.92Å; M100-S103 PolarHBondContact O-N 3.42Å; S103-H105 VanDerWaalsContact C-N 3.29Å; S103-H105 PolarHBondContact O-N 3.08Å; S103-N106 PolarHBondContact O-N 3.07Å; S103-E107 WeakPolarHBondContact CB-OE1 3.25Å; S103-E107 WeakPolarHBondContact O-CA 3.38Å; S103-E107 VanDerWaalsContact O-CB 3.29Å; S103-E107 WeakPolarHBondContact O-CB 3.44Å; S103-E107 PolarHBondContact O-N 3.43Å; S103-E107 VanDerWaalsContact OG-CD 3.27Å; S103-E107 PolarHBondContact OG-OE1 3.44Å; S103-N214 WeakPolarHBondContact CB-ND2 3.42Å; S103-N214 PolarHBondContact OG-ND2 3.14Å
104F98.4Very high97.8Very high13 Ų1350.7 Ų50.76%0.05724%0.244CC..Iπ-helixtrans-56-43.5175.3-175.7-95000112.3A42 Y45 E46 M100 L101 L108 L109 V211A42-F104 HydrophobicContact CB-CE1 4.14Å; A42-F104 HydrophobicContact CB-CZ 3.7Å; A42-F104 WeakPolarHBondContact O-CE1 3.32Å; Y45-F104 HydrophobicContact CD1-CE1 4.48Å; Y45-F104 HydrophobicContact CD1-CE2 4.3Å; Y45-F104 AromaticContact CD1-CZ 3.94Å; Y45-F104 HydrophobicContact CD1-CZ 3.94Å; E46-F104 HydrophobicContact CB-CD1 4.27Å; E46-F104 HydrophobicContact CB-CE1 4.11Å; M100-F104 WeakPolarHBondContact O-CB 3.34Å; M100-F104 PolarHBondContact O-N 3.45Å; L101-F104 WeakPolarHBondContact O-CB 3.28Å; L101-F104 PolarHBondContact O-N 2.98Å; F104-L108 HydrophobicContact CE2-CD1 4.38Å; F104-L108 HydrophobicContact CE2-CD2 4.17Å; F104-L108 HydrophobicContact CZ-CD2 4.29Å; F104-L108 WeakPolarHBondContact O-CB 3.29Å; F104-L108 PolarHBondContact O-N 2.88Å; F104-L109 HydrophobicContact CD1-CD1 3.98Å; F104-L109 HydrophobicContact CD1-CG 4.33Å; F104-L109 HydrophobicContact CE1-CD1 3.74Å; F104-L109 HydrophobicContact CE1-CG 4.01Å; F104-L109 PolarHBondContact O-N 3.23Å; F104-V211 HydrophobicContact CB-CG2 4.45Å; F104-V211 HydrophobicContact CD2-CG1 3.78Å; F104-V211 HydrophobicContact CD2-CG2 3.95Å
105H98.5Very high97.7Very high73 Ų7353.3 Ų53.334%0.33826%0.255SS..Iπ-helixtrans-65.4-60175-171.193.2000112E46 L101 K102 S103 L109 T110E46-H105 WeakPolarHBondContact OE1-CB 3.49Å; E46-H105 IonicContact OE1-CE1 3.05Å; E46-H105 IonicContact OE1-CG 3.52Å; E46-H105 IonicContact OE1-ND1 3.43Å; E46-H105 PolarHBondContact OE1-ND1 3.19Å; E46-H105 IonicContact OE2-ND1 3.35Å; E46-H105 PolarHBondContact OE2-ND1 3.31Å; L101-H105 PolarHBondContact O-N 3.39Å; K102-H105 PolarHBondContact O-N 3.46Å; S103-H105 VanDerWaalsContact C-N 3.29Å; S103-H105 PolarHBondContact O-N 3.08Å; H105-L109 WeakPolarHBondContact O-CB 3.49Å; H105-L109 PolarHBondContact O-N 3.41Å; H105-T110 PolarHBondContact O-N 3.47Å; H105-T110 PolarHBondContact O-OG1 2.86Å; H105-T110 VanDerWaalsContact O-OG1 3.09Å
106N97.1Very high97.7Very high97 Ų9749.4 Ų49.452%0.51924%0.235SC..Iπ-helixtrans-73.2-40.3-167.9-67.2-31.1000113K102 S103K102-N106 WeakPolarHBondContact O-CB 3.27Å; K102-N106 PolarHBondContact O-N 3.44Å; K102-N106 PolarHBondContact O-ND2 3.31Å; S103-N106 PolarHBondContact O-N 3.07Å
107E96.6Very high97.6Very high72 Ų7251.8 Ų51.834%0.33625%0.246SC..Iπ-helixtrans-94.1-27.6-171.8-62.3-179.1-119.500113.1S103 E111 R207S103-E107 WeakPolarHBondContact CB-OE1 3.25Å; S103-E107 WeakPolarHBondContact O-CA 3.38Å; S103-E107 VanDerWaalsContact O-CB 3.29Å; S103-E107 WeakPolarHBondContact O-CB 3.44Å; S103-E107 PolarHBondContact O-N 3.43Å; S103-E107 VanDerWaalsContact OG-CD 3.27Å; S103-E107 PolarHBondContact OG-OE1 3.44Å; E107-E111 WeakPolarHBondContact O-CB 3.3Å; E107-R207 WeakPolarHBondContact O-CD 3.47Å
108L98.4Very high97.5Very high0 Ų056.4 Ų56.40%027%0.27CS..Iπ-helixtrans-105.3-61.3179.8-177.7151.2000111.8F38 A42 F104 L112 R207 Q208 V211F38-L108 HydrophobicContact CE1-CD2 4.19Å; A42-L108 HydrophobicContact CB-CD2 4.47Å; F104-L108 HydrophobicContact CE2-CD1 4.38Å; F104-L108 HydrophobicContact CE2-CD2 4.17Å; F104-L108 HydrophobicContact CZ-CD2 4.29Å; F104-L108 WeakPolarHBondContact O-CB 3.29Å; F104-L108 PolarHBondContact O-N 2.88Å; L108-L112 HydrophobicContact CD2-CD1 3.82Å; L108-L112 HydrophobicContact CG-CD1 3.87Å; L108-L112 VanDerWaalsContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CB 3.44Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.43Å; L108-R207 HydrophobicContact CG-CB 4.43Å; L108-Q208 HydrophobicContact CD1-CG 4.19Å; L108-V211 HydrophobicContact CB-CG2 3.81Å; L108-V211 HydrophobicContact CD1-CG2 3.77Å; L108-V211 HydrophobicContact CG-CG2 4.44Å
109L98.6Very high97.4Very high1 Ų153.6 Ų53.61%0.00526%0.257CS..Iπ-helixtrans-63.4-57.9-173.9-79.8174000111.8I39 A42 K43 E46 F104 H105 E111 L112 E113I39-L109 HydrophobicContact CG2-CD2 4.09Å; A42-L109 HydrophobicContact CB-CD2 3.45Å; A42-L109 VanDerWaalsContact CB-CD2 3.45Å; A42-L109 HydrophobicContact CB-CG 4.32Å; K43-L109 HydrophobicContact CG-CD1 4.16Å; K43-L109 HydrophobicContact CG-CD2 3.99Å; E46-L109 HydrophobicContact CB-CD1 4.3Å; E46-L109 WeakPolarHBondContact OE2-CD1 3.38Å; F104-L109 HydrophobicContact CD1-CD1 3.98Å; F104-L109 HydrophobicContact CD1-CG 4.33Å; F104-L109 HydrophobicContact CE1-CD1 3.74Å; F104-L109 HydrophobicContact CE1-CG 4.01Å; F104-L109 PolarHBondContact O-N 3.23Å; H105-L109 WeakPolarHBondContact O-CB 3.49Å; H105-L109 PolarHBondContact O-N 3.41Å; L109-E111 VanDerWaalsContact C-N 3.3Å; L109-E111 PolarHBondContact O-N 3.24Å; L109-L112 PolarHBondContact O-N 3.04Å; L109-E113 WeakPolarHBondContact O-CB 3.48Å; L109-E113 WeakPolarHBondContact O-CG 3.4Å; L109-E113 PolarHBondContact O-N 3.32Å
110T98.5Very high97.1Very high52 Ų5250.9 Ų50.932%0.31925%0.251SS..Hα-helixtrans-58.1-43.1-177-54.30000112H105 K114H105-T110 PolarHBondContact O-N 3.47Å; H105-T110 PolarHBondContact O-OG1 2.86Å; H105-T110 VanDerWaalsContact O-OG1 3.09Å; T110-K114 WeakPolarHBondContact O-CB 2.96Å; T110-K114 PolarHBondContact O-N 2.97Å
111E98.4Very high96.9Very high65 Ų6559.5 Ų59.530%0.30428%0.283SS..Hα-helixtrans-71.7-38.8-177.9-75.6-60.212400113.1E107 L109 K115 F203E107-E111 WeakPolarHBondContact O-CB 3.3Å; L109-E111 VanDerWaalsContact C-N 3.3Å; L109-E111 PolarHBondContact O-N 3.24Å; E111-K115 VanDerWaalsContact O-CB 3.29Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 PolarHBondContact O-N 3.35Å; E111-F203 HydrophobicContact CB-CZ 4.09Å
112L98.4Very high96.9Very high2 Ų264.2 Ų64.21%0.0130%0.3CS..Hα-helixtrans-67.2-39.5174.7-69.5176.7000111.6L35 F38 I39 L108 L109 K115 V116 F203 L204L35-L112 HydrophobicContact CD1-CD1 4.26Å; L35-L112 HydrophobicContact CD1-CD2 4.24Å; F38-L112 HydrophobicContact CD1-CD1 4.15Å; F38-L112 HydrophobicContact CE1-CD1 3.72Å; I39-L112 HydrophobicContact CD1-CB 3.9Å; I39-L112 HydrophobicContact CG1-CB 4.02Å; L108-L112 HydrophobicContact CD2-CD1 3.82Å; L108-L112 HydrophobicContact CG-CD1 3.87Å; L108-L112 VanDerWaalsContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CB 3.44Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.43Å; L109-L112 PolarHBondContact O-N 3.04Å; L112-K115 PolarHBondContact O-N 3.32Å; L112-V116 WeakPolarHBondContact O-CG1 3.24Å; L112-V116 PolarHBondContact O-N 3.38Å; L112-F203 HydrophobicContact CD2-CD1 3.85Å; L112-F203 HydrophobicContact CD2-CE1 3.84Å; L112-L204 HydrophobicContact CD1-CD1 3.94Å; L112-L204 HydrophobicContact CD2-CD1 4.19Å
113E98.3Very high97Very high67 Ų6758.1 Ų58.131%0.31327%0.274SS..Hα-helixtrans-61.7-50.4175.6-76.1-173.1131.800112.5I39 K43 L109 K115 V116 E117I39-E113 HydrophobicContact CD1-CG 4.07Å; I39-E113 HydrophobicContact CG2-CG 3.59Å; K43-E113 WeakPolarHBondContact CE-OE1 3.29Å; K43-E113 IonicContact NZ-OE1 3.99Å; K43-E113 PolarHBondContact NZ-OE1 3.01Å; L109-E113 WeakPolarHBondContact O-CB 3.48Å; L109-E113 WeakPolarHBondContact O-CG 3.4Å; L109-E113 PolarHBondContact O-N 3.32Å; E113-K115 VanDerWaalsContact C-N 3.26Å; E113-K115 PolarHBondContact O-N 3.41Å; E113-V116 WeakPolarHBondContact O-CG1 3.44Å; E113-V116 PolarHBondContact O-N 3.38Å; E113-E117 WeakPolarHBondContact O-CB 3.38Å; E113-E117 PolarHBondContact O-N 3.18Å; E113-E117 VanDerWaalsContact O-N 3.17Å
114K97.8Very high97Very high123 Ų12362.3 Ų62.354%0.53530%0.295SS..Hα-helixtrans-57.4-44176.1179.7-178.3174-173.30110.8T110 L118T110-K114 WeakPolarHBondContact O-CB 2.96Å; T110-K114 PolarHBondContact O-N 2.97Å; K114-L118 HydrophobicContact CG-CD1 4.26Å; K114-L118 WeakPolarHBondContact O-CG 3.29Å; K114-L118 PolarHBondContact O-N 3.31Å
115K96.9Very high97Very high76 Ų7664.7 Ų64.733%0.3332%0.317SS..Hα-helixtrans-67.6-48.8-177-162.4162.8-167152.30112.1E111 L112 E113 E117 L118 D119 F203E111-K115 VanDerWaalsContact O-CB 3.29Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 PolarHBondContact O-N 3.35Å; L112-K115 PolarHBondContact O-N 3.32Å; E113-K115 VanDerWaalsContact C-N 3.26Å; E113-K115 PolarHBondContact O-N 3.41Å; K115-E117 PolarHBondContact O-N 3.11Å; K115-L118 PolarHBondContact O-N 2.65Å; K115-D119 VanDerWaalsContact O-CB 3.31Å; K115-D119 WeakPolarHBondContact O-CB 3.37Å; K115-D119 PolarHBondContact O-N 3.29Å; K115-F203 HydrophobicContact CB-CE1 4.16Å; K115-F203 HydrophobicContact CD-CB 4.47Å; K115-F203 HydrophobicContact CD-CD1 3.29Å; K115-F203 HydrophobicContact CD-CD2 4.24Å; K115-F203 HydrophobicContact CD-CE1 3.32Å; K115-F203 HydrophobicContact CD-CE2 4.27Å; K115-F203 HydrophobicContact CD-CG 3.75Å; K115-F203 HydrophobicContact CD-CZ 3.82Å; K115-F203 HydrophobicContact CG-CE1 4.39Å
116V97.6Very high97Very high3 Ų362.1 Ų62.12%0.01831%0.309CS..Hα-helixtrans-64.2-27.9-178.574.30000112.7N32 L35 R36 I39 L112 E113N32-V116 HydrophobicContact CB-CG2 4.07Å; L35-V116 HydrophobicContact CD2-CB 4.04Å; L35-V116 HydrophobicContact CD2-CG2 4.17Å; R36-V116 HydrophobicContact CG-CG1 4.24Å; R36-V116 HydrophobicContact CG-CG2 3.97Å; R36-V116 PolarHBondContact NH2-O 3Å; I39-V116 HydrophobicContact CD1-CG1 3.99Å; L112-V116 WeakPolarHBondContact O-CG1 3.24Å; L112-V116 PolarHBondContact O-N 3.38Å; E113-V116 WeakPolarHBondContact O-CG1 3.44Å; E113-V116 PolarHBondContact O-N 3.38Å
117E95.8Very high97Very high95 Ų9558.2 Ų58.244%0.44429%0.288SS..Hα-helixtrans-74.8-43.2177-168.254.8-150.400112.7R36 E113 K115 D119R36-E117 IonicContact CZ-OE2 3.65Å; R36-E117 IonicContact NH1-OE2 3.45Å; R36-E117 PolarHBondContact NH1-OE2 3.3Å; R36-E117 IonicContact NH2-OE2 3.99Å; R36-E117 PolarHBondContact NH2-OE2 3.4Å; E113-E117 WeakPolarHBondContact O-CB 3.38Å; E113-E117 PolarHBondContact O-N 3.18Å; E113-E117 VanDerWaalsContact O-N 3.17Å; K115-E117 PolarHBondContact O-N 3.11Å; E117-D119 VanDerWaalsContact C-N 3.26Å; E117-D119 PolarHBondContact O-N 3.3Å
118L96.1Very high97.1Very high111 Ų11161 Ų6158%0.58130%0.299SS*.Hα-helixtrans-66-33.6173.6-67.4174.3000111.8K114 K115 A120 R121 Y122K114-L118 HydrophobicContact CG-CD1 4.26Å; K114-L118 WeakPolarHBondContact O-CG 3.29Å; K114-L118 PolarHBondContact O-N 3.31Å; K115-L118 PolarHBondContact O-N 2.65Å; L118-A120 VanDerWaalsContact C-N 3.31Å; L118-A120 PolarHBondContact O-N 2.68Å; L118-R121 PolarHBondContact O-N 3.45Å; L118-Y122 PolarHBondContact O-N 2.95Å; L118-Y122 VanDerWaalsContact O-N 3.14Å
119D95.8Very high97.1Very high13 Ų1366.9 Ų66.97%0.0732%0.324CS..Hα-helixtrans-60.6-39-176.2-133.740.3000113.4N32 K115 E117 R121 Y122 L123 R200N32-D119 PolarHBondContact ND2-OD2 3.28Å; N32-D119 PolarHBondContact OD1-OD2 3.49Å; K115-D119 VanDerWaalsContact O-CB 3.31Å; K115-D119 WeakPolarHBondContact O-CB 3.37Å; K115-D119 PolarHBondContact O-N 3.29Å; E117-D119 VanDerWaalsContact C-N 3.26Å; E117-D119 PolarHBondContact O-N 3.3Å; D119-R121 VanDerWaalsContact C-N 3.29Å; D119-R121 PolarHBondContact O-N 2.94Å; D119-Y122 PolarHBondContact O-N 3.35Å; D119-L123 HydrophobicContact CB-CD1 4.42Å; D119-L123 WeakPolarHBondContact O-CB 3.48Å; D119-L123 WeakPolarHBondContact O-CG 3.42Å; D119-L123 PolarHBondContact O-N 2.78Å; D119-L123 VanDerWaalsContact OD2-CD1 3.24Å; D119-L123 WeakPolarHBondContact OD2-CD1 3.27Å; D119-R200 VanDerWaalsContact CG-NH2 3.35Å; D119-R200 IonicContact OD1-CZ 3.46Å; D119-R200 VanDerWaalsContact OD1-CZ 3.28Å; D119-R200 IonicContact OD1-NE 2.71Å; D119-R200 PolarHBondContact OD1-NE 3.12Å; D119-R200 IonicContact OD1-NH2 3.99Å; D119-R200 PolarHBondContact OD1-NH2 2.87Å; D119-R200 IonicContact OD2-CZ 2.61Å; D119-R200 IonicContact OD2-NE 3.94Å; D119-R200 PolarHBondContact OD2-NE 3.26Å; D119-R200 IonicContact OD2-NH2 3.86Å; D119-R200 PolarHBondContact OD2-NH2 3.27Å
120A88.9Confident97.1Very high38 Ų3867.1 Ų67.131%0.31433%0.325SS..Hα-helixtrans-58.4-41.1-179.400000111.8L118 N124L118-A120 VanDerWaalsContact C-N 3.31Å; L118-A120 PolarHBondContact O-N 2.68Å; A120-N124 PolarHBondContact O-ND2 3.33Å
121R94.4Very high97.1Very high194 Ų19468 Ų6873%0.73233%0.326SS*.Hα-helixtrans-77.9-43.9179.2-62-177.3-170178.73.5111.5L118 D119 A125L118-R121 PolarHBondContact O-N 3.45Å; D119-R121 VanDerWaalsContact C-N 3.29Å; D119-R121 PolarHBondContact O-N 2.94Å; R121-A125 PolarHBondContact O-N 3.02Å
122Y97.9Very high97.1Very high116 Ų11670.1 Ų70.146%0.45534%0.337SS..Hα-helixtrans-62-49.4-177172.8-98.7000112.5L118 D119 N124 A125 A126 E196L118-Y122 PolarHBondContact O-N 2.95Å; L118-Y122 VanDerWaalsContact O-N 3.14Å; D119-Y122 PolarHBondContact O-N 3.35Å; Y122-N124 PolarHBondContact O-N 3.14Å; Y122-A125 PolarHBondContact O-N 3.33Å; Y122-A126 WeakPolarHBondContact O-CB 3.33Å; Y122-A126 PolarHBondContact O-N 3.28Å; Y122-E196 PolarHBondContact OH-OE1 3.45Å
123L97.9Very high97.1Very high0 Ų073.6 Ų73.60%035%0.353CS..Hα-helixtrans-65.7-39.7-176.2-74.6166.7000112.8Y24 I27 M28 D119 A125 A126 L127 R200Y24-L123 HydrophobicContact CD1-CD2 3.81Å; Y24-L123 HydrophobicContact CE1-CD2 4.14Å; I27-L123 HydrophobicContact CB-CD1 4.19Å; I27-L123 HydrophobicContact CD1-CD2 4.36Å; I27-L123 HydrophobicContact CG2-CD1 3.38Å; I27-L123 HydrophobicContact CG2-CD2 4.36Å; M28-L123 HydrophobicContact CG-CB 3.8Å; M28-L123 HydrophobicContact CG-CD1 3.79Å; M28-L123 HydrophobicContact CG-CG 4.43Å; M28-L123 HydrophobicContact SD-CB 3.75Å; D119-L123 HydrophobicContact CB-CD1 4.42Å; D119-L123 WeakPolarHBondContact O-CB 3.48Å; D119-L123 WeakPolarHBondContact O-CG 3.42Å; D119-L123 PolarHBondContact O-N 2.78Å; D119-L123 VanDerWaalsContact OD2-CD1 3.24Å; D119-L123 WeakPolarHBondContact OD2-CD1 3.27Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 3.35Å; L123-A126 PolarHBondContact O-N 3.22Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 PolarHBondContact O-N 3.49Å; L123-R200 VanDerWaalsContact CD2-NH2 3.31Å
124N96.5Very high97.1Very high97 Ų9772 Ų7252%0.51935%0.346SS..Hα-helixtrans-61.6-43.6175.2-84.9-63.8000111.5A120 Y122 K128A120-N124 PolarHBondContact O-ND2 3.33Å; Y122-N124 PolarHBondContact O-N 3.14Å; N124-K128 VanDerWaalsContact O-CB 3.25Å; N124-K128 WeakPolarHBondContact O-CB 3.4Å; N124-K128 PolarHBondContact O-N 3.48Å
125A98.3Very high97.1Very high63 Ų6372.4 Ų72.452%0.52135%0.347SS..Hα-helixtrans-65.5-43.1176.400000111.9R121 Y122 L123 K128 K129R121-A125 PolarHBondContact O-N 3.02Å; Y122-A125 PolarHBondContact O-N 3.33Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 3.35Å; A125-K128 PolarHBondContact O-N 3.05Å; A125-K129 WeakPolarHBondContact O-CB 3.4Å; A125-K129 PolarHBondContact O-N 3.22Å
126A98.3Very high97.2Very high20 Ų2072.3 Ų72.317%0.16536%0.356CS..Hα-helixtrans-63.3-48178.700000112.2Y24 Y122 L123 K129 Y130Y24-A126 HydrophobicContact CE1-CB 4.06Å; Y122-A126 WeakPolarHBondContact O-CB 3.33Å; Y122-A126 PolarHBondContact O-N 3.28Å; L123-A126 PolarHBondContact O-N 3.22Å; A126-K129 PolarHBondContact O-N 3.21Å; A126-Y130 PolarHBondContact O-N 3.41Å
127L98.2Very high97.2Very high14 Ų1474.9 Ų74.97%0.07337%0.367CS..Hα-helixtrans-62.2-46.3177.1176.259.6000111.2E21 Y24 M28 L123 K129 Y130 Q131E21-L127 HydrophobicContact CG-CD1 4.39Å; Y24-L127 HydrophobicContact CD1-CB 4.43Å; Y24-L127 HydrophobicContact CD2-CB 4.45Å; Y24-L127 HydrophobicContact CD2-CD1 3.85Å; Y24-L127 HydrophobicContact CG-CB 4.12Å; Y24-L127 HydrophobicContact CG-CD1 4.11Å; M28-L127 HydrophobicContact CE-CD2 3.72Å; L123-L127 WeakPolarHBondContact O-CB 3.43Å; L123-L127 PolarHBondContact O-N 3.49Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 2.95Å; L127-Y130 HydrophobicContact CD1-CD1 4.48Å; L127-Y130 WeakPolarHBondContact O-CB 3.27Å; L127-Y130 PolarHBondContact O-N 2.9Å; L127-Q131 HydrophobicContact CD1-CG 4.1Å; L127-Q131 HydrophobicContact CG-CG 4.47Å; L127-Q131 WeakPolarHBondContact O-CG 3.2Å; L127-Q131 PolarHBondContact O-N 3.3Å
128K98.4Very high97.3Very high131 Ų13171 Ų7157%0.5735%0.353SS*.Hα-helixtrans-61.7-43.3178.9-172.8177.9-179.51790111.5N124 A125 Y130 Q131 M132N124-K128 VanDerWaalsContact O-CB 3.25Å; N124-K128 WeakPolarHBondContact O-CB 3.4Å; N124-K128 PolarHBondContact O-N 3.48Å; A125-K128 PolarHBondContact O-N 3.05Å; K128-Y130 VanDerWaalsContact C-N 3.33Å; K128-Q131 PolarHBondContact O-N 3.33Å; K128-M132 HydrophobicContact CG-CE 4.1Å; K128-M132 HydrophobicContact CG-CG 4.43Å; K128-M132 HydrophobicContact CG-SD 4.18Å; K128-M132 WeakPolarHBondContact O-CB 3.39Å; K128-M132 VanDerWaalsContact O-CG 3.26Å; K128-M132 WeakPolarHBondContact O-CG 3.38Å; K128-M132 PolarHBondContact O-N 3.46Å
129K98.4Very high97.4Very high123 Ų12370.7 Ų70.754%0.53535%0.348SS..Hα-helixtrans-58-48.3174.3-178-178.3175-175.60110.6A125 A126 L127 Q131 M132 E133A125-K129 WeakPolarHBondContact O-CB 3.4Å; A125-K129 PolarHBondContact O-N 3.22Å; A126-K129 PolarHBondContact O-N 3.21Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 2.95Å; K129-Q131 PolarHBondContact O-N 3.41Å; K129-M132 PolarHBondContact O-N 3.19Å; K129-E133 WeakPolarHBondContact CE-OE1 3.48Å; K129-E133 WeakPolarHBondContact CG-OE1 3.29Å; K129-E133 IonicContact NZ-OE1 3.74Å; K129-E133 PolarHBondContact O-N 3.24Å; K129-E133 VanDerWaalsContact O-N 3.12Å
130Y98.6Very high97.4Very high7 Ų772.4 Ų72.43%0.02736%0.362CS..Hα-helixtrans-55.6-50.2178.6170.4-105.5000112.2H17 T20 E21 A126 L127 K128 H134 Y185H17-Y130 AromaticContact CE1-CE1 3.68Å; H17-Y130 AromaticContact ND1-CE1 3.54Å; H17-Y130 AromaticContact ND1-CZ 3.49Å; H17-Y130 PolarHBondContact ND1-OH 3.38Å; T20-Y130 HydrophobicContact CG2-CD1 4.27Å; T20-Y130 HydrophobicContact CG2-CD2 4.49Å; T20-Y130 HydrophobicContact CG2-CE1 3.73Å; T20-Y130 HydrophobicContact CG2-CE2 4Å; E21-Y130 HydrophobicContact CG-CE1 4.14Å; A126-Y130 PolarHBondContact O-N 3.41Å; L127-Y130 HydrophobicContact CD1-CD1 4.48Å; L127-Y130 WeakPolarHBondContact O-CB 3.27Å; L127-Y130 PolarHBondContact O-N 2.9Å; K128-Y130 VanDerWaalsContact C-N 3.33Å; Y130-H134 VanDerWaalsContact O-CB 3.3Å; Y130-H134 WeakPolarHBondContact O-CB 3.15Å; Y130-H134 PolarHBondContact O-N 3.05Å; Y130-Y185 VanDerWaalsContact CA-OH 3.28Å; Y130-Y185 WeakPolarHBondContact CA-OH 3.48Å; Y130-Y185 AromaticContact CD2-CE1 3.82Å; Y130-Y185 HydrophobicContact CD2-CE1 3.82Å; Y130-Y185 AromaticContact CD2-CZ 3.99Å; Y130-Y185 HydrophobicContact CE2-CD1 4.49Å; Y130-Y185 AromaticContact CE2-CE1 3.9Å; Y130-Y185 HydrophobicContact CE2-CE1 3.9Å; Y130-Y185 PolarHBondContact O-OH 3.44Å
131Q98.5Very high97.9Very high69 Ų6971 Ų7132%0.32235%0.349SS..Hα-helixtrans-62.9-43.2-179.5-72.3174.4-32.200113E21 L127 K128 K129 K135E21-Q131 WeakPolarHBondContact OE1-CG 3.28Å; E21-Q131 PolarHBondContact OE1-NE2 3.21Å; L127-Q131 HydrophobicContact CD1-CG 4.1Å; L127-Q131 HydrophobicContact CG-CG 4.47Å; L127-Q131 WeakPolarHBondContact O-CG 3.2Å; L127-Q131 PolarHBondContact O-N 3.3Å; K128-Q131 PolarHBondContact O-N 3.33Å; K129-Q131 PolarHBondContact O-N 3.41Å; Q131-K135 VanDerWaalsContact O-CB 3.29Å; Q131-K135 WeakPolarHBondContact O-CB 3.28Å; Q131-K135 PolarHBondContact O-N 3.02Å
132M98.4Very high98Very high110 Ų11068 Ų6854%0.54234%0.343SS..Hα-helixtrans-64.1-46.1-180-72.7-175.2-53.100111.8K128 K129 K135 S136K128-M132 HydrophobicContact CG-CE 4.1Å; K128-M132 HydrophobicContact CG-CG 4.43Å; K128-M132 HydrophobicContact CG-SD 4.18Å; K128-M132 WeakPolarHBondContact O-CB 3.39Å; K128-M132 VanDerWaalsContact O-CG 3.26Å; K128-M132 WeakPolarHBondContact O-CG 3.38Å; K128-M132 PolarHBondContact O-N 3.46Å; K129-M132 PolarHBondContact O-N 3.19Å; M132-K135 PolarHBondContact O-N 2.89Å; M132-S136 WeakPolarHBondContact O-CB 3.4Å; M132-S136 PolarHBondContact O-N 2.79Å
133E98.3Very high98Very high75 Ų7569.8 Ų69.835%0.3535%0.353SS..Hα-helixtrans-69.9-39.3178.8-78.8179.5-139.900112.2K129 K135 S136 K137 Y185K129-E133 WeakPolarHBondContact CE-OE1 3.48Å; K129-E133 WeakPolarHBondContact CG-OE1 3.29Å; K129-E133 IonicContact NZ-OE1 3.74Å; K129-E133 PolarHBondContact O-N 3.24Å; K129-E133 VanDerWaalsContact O-N 3.12Å; E133-K135 PolarHBondContact O-N 2.89Å; E133-S136 PolarHBondContact O-N 3.27Å; E133-K137 PolarHBondContact O-N 3.37Å; E133-Y185 HydrophobicContact CB-CE1 3.97Å; E133-Y185 HydrophobicContact CB-CE2 4.01Å; E133-Y185 VanDerWaalsContact CB-CZ 3.46Å; E133-Y185 WeakPolarHBondContact CB-OH 3.48Å; E133-Y185 WeakPolarHBondContact OE2-CE2 3.43Å; E133-Y185 PolarHBondContact OE2-OH 3.21Å
134H98.3Very high97.9Very high35 Ų3570.3 Ų70.316%0.16236%0.357CS..Hα-helixtrans-56.7-50.6172.8174.4-100.5000111H17 Y130 S136 K137 G138 Y185H17-H134 AromaticContact CD2-CE1 3.78Å; H17-H134 AromaticContact CE1-CD2 3.9Å; H17-H134 AromaticContact CE1-CE1 3.44Å; H17-H134 PolarHBondContact CE1-CE1 3.39Å; H17-H134 VanDerWaalsContact CE1-CE1 3.44Å; H17-H134 AromaticContact CE1-CG 3.53Å; H17-H134 AromaticContact CE1-ND1 3.24Å; H17-H134 PolarHBondContact CE1-ND1 3.28Å; H17-H134 AromaticContact CE1-NE2 3.84Å; H17-H134 AromaticContact CG-CE1 3.74Å; H17-H134 AromaticContact CG-NE2 3.64Å; H17-H134 AromaticContact ND1-CD2 3.48Å; H17-H134 PolarHBondContact ND1-CD2 3.1Å; H17-H134 AromaticContact ND1-CE1 3.51Å; H17-H134 AromaticContact ND1-CG 3.58Å; H17-H134 AromaticContact ND1-ND1 3.61Å; H17-H134 AromaticContact ND1-NE2 3.43Å; H17-H134 PolarHBondContact ND1-NE2 2.96Å; H17-H134 AromaticContact NE2-CE1 3.6Å; H17-H134 AromaticContact NE2-ND1 3.68Å; Y130-H134 VanDerWaalsContact O-CB 3.3Å; Y130-H134 WeakPolarHBondContact O-CB 3.15Å; Y130-H134 PolarHBondContact O-N 3.05Å; H134-S136 PolarHBondContact O-N 2.9Å; H134-K137 PolarHBondContact O-N 3.34Å; H134-G138 PolarHBondContact O-N 2.78Å; H134-Y185 HydrophobicContact CB-CD1 4.42Å; H134-Y185 HydrophobicContact CB-CE1 3.95Å
135K97.9Very high98Very high130 Ų13069.6 Ų69.657%0.56535%0.35SS*.Hα-helixtrans-60.1-46.7177.8-179.4174.8173.5175.80111.7Q131 M132 E133 K137 G138 E139Q131-K135 VanDerWaalsContact O-CB 3.29Å; Q131-K135 WeakPolarHBondContact O-CB 3.28Å; Q131-K135 PolarHBondContact O-N 3.02Å; M132-K135 PolarHBondContact O-N 2.89Å; E133-K135 PolarHBondContact O-N 2.89Å; K135-K137 PolarHBondContact O-N 3.05Å; K135-G138 PolarHBondContact O-N 2.79Å; K135-E139 WeakPolarHBondContact CE-OE1 3.38Å; K135-E139 HydrophobicContact CG-CG 4.38Å; K135-E139 IonicContact NZ-OE1 2.57Å; K135-E139 WeakPolarHBondContact O-CG 3.39Å; K135-E139 PolarHBondContact O-N 3.41Å
136S98.3Very high98Very high74 Ų7469.2 Ų69.252%0.51735%0.347SS..Hα-helixtrans-61-42.9179.9-178.80000112.8M132 E133 H134 S140M132-S136 WeakPolarHBondContact O-CB 3.4Å; M132-S136 PolarHBondContact O-N 2.79Å; E133-S136 PolarHBondContact O-N 3.27Å; H134-S136 PolarHBondContact O-N 2.9Å; S136-S140 WeakPolarHBondContact O-CB 3.45Å; S136-S140 PolarHBondContact O-N 3.39Å; S136-S140 VanDerWaalsContact O-N 3.1Å
137K97.8Very high97.9Very high57 Ų5772.1 Ų72.125%0.24836%0.357CS..Hα-helixtrans-65.8-42.4175.4-76.4175.9172.3-80.40111.7E133 H134 K135 S140 L141 E181 L182 Y185E133-K137 PolarHBondContact O-N 3.37Å; H134-K137 PolarHBondContact O-N 3.34Å; K135-K137 PolarHBondContact O-N 3.05Å; K137-S140 PolarHBondContact O-N 2.92Å; K137-L141 PolarHBondContact O-N 3.33Å; K137-E181 IonicContact NZ-OE2 2.71Å; K137-E181 PolarHBondContact NZ-OE2 3.13Å; K137-L182 HydrophobicContact CB-CD1 3.95Å; K137-Y185 HydrophobicContact CD-CD1 4.14Å; K137-Y185 HydrophobicContact CD-CD2 4.29Å; K137-Y185 HydrophobicContact CD-CG 3.79Å
138G97.5Very high97.8Very high14 Ų1472 Ų7214%0.14436%0.357CS..Hα-helixtrans-58.4-50.8174.200000112.8H134 K135 S140 L141 E142H134-G138 PolarHBondContact O-N 2.78Å; K135-G138 PolarHBondContact O-N 2.79Å; G138-S140 VanDerWaalsContact C-N 3.29Å; G138-S140 PolarHBondContact O-N 2.63Å; G138-L141 WeakPolarHBondContact O-CB 3.42Å; G138-L141 PolarHBondContact O-N 2.82Å; G138-L141 VanDerWaalsContact O-N 3.13Å; G138-E142 WeakPolarHBondContact O-CG 3.36Å; G138-E142 PolarHBondContact O-N 3Å
139E98.1Very high97.6Very high104 Ų10471.8 Ų71.849%0.48636%0.356SS..Hα-helixtrans-60.3-37.5177.9-72.3174.8171.100112.2K135 K143K135-E139 WeakPolarHBondContact CE-OE1 3.38Å; K135-E139 HydrophobicContact CG-CG 4.38Å; K135-E139 IonicContact NZ-OE1 2.57Å; K135-E139 WeakPolarHBondContact O-CG 3.39Å; K135-E139 PolarHBondContact O-N 3.41Å; E139-K143 VanDerWaalsContact O-CB 3.27Å; E139-K143 WeakPolarHBondContact O-CB 3.29Å; E139-K143 PolarHBondContact O-N 3.31Å
140S97.5Very high97.5Very high50 Ų5070.6 Ų70.635%0.3535%0.351SS..Hα-helixtrans-65.7-38.4176.4-175.10000112.6S136 K137 G138 C144 K178S136-S140 WeakPolarHBondContact O-CB 3.45Å; S136-S140 PolarHBondContact O-N 3.39Å; S136-S140 VanDerWaalsContact O-N 3.1Å; K137-S140 PolarHBondContact O-N 2.92Å; G138-S140 VanDerWaalsContact C-N 3.29Å; G138-S140 PolarHBondContact O-N 2.63Å; S140-C144 PolarHBondContact O-N 3Å; S140-K178 WeakPolarHBondContact O-CD 3.49Å; S140-K178 PolarHBondContact O-NZ 3.18Å; S140-K178 WeakPolarHBondContact OG-CE 3.26Å; S140-K178 PolarHBondContact OG-NZ 2.82Å
141L97.6Very high97.2Very high9 Ų971 Ų715%0.04735%0.353CS..Hα-helixtrans-67.8-51.1175.3173.665.5000110.9K137 G138 K143 C144 Q145 I175 K178 Q179 L182K137-L141 PolarHBondContact O-N 3.33Å; G138-L141 WeakPolarHBondContact O-CB 3.42Å; G138-L141 PolarHBondContact O-N 2.82Å; G138-L141 VanDerWaalsContact O-N 3.13Å; L141-K143 VanDerWaalsContact C-N 3.3Å; L141-K143 PolarHBondContact O-N 2.99Å; L141-C144 WeakPolarHBondContact O-CB 3.36Å; L141-C144 PolarHBondContact O-N 3.22Å; L141-Q145 HydrophobicContact CD1-CG 4.39Å; L141-Q145 WeakPolarHBondContact O-CG 3.44Å; L141-Q145 PolarHBondContact O-N 3.3Å; L141-I175 HydrophobicContact CD1-CG2 3.95Å; L141-K178 HydrophobicContact CB-CB 4.25Å; L141-K178 HydrophobicContact CD1-CB 3.81Å; L141-Q179 HydrophobicContact CD1-CB 4.24Å; L141-Q179 HydrophobicContact CD2-CB 4.49Å; L141-L182 HydrophobicContact CD2-CD2 4.03Å
142E97.7Very high96.8Very high129 Ų12973.1 Ų73.160%0.60336%0.359SS*.Hα-helixtrans-57.5-42.5178.1-73.7179.8-177.300111.9G138 C144 Q145 A146G138-E142 WeakPolarHBondContact O-CG 3.36Å; G138-E142 PolarHBondContact O-N 3Å; E142-C144 VanDerWaalsContact C-N 3.3Å; E142-C144 PolarHBondContact O-N 3.17Å; E142-Q145 PolarHBondContact O-N 3.28Å; E142-A146 WeakPolarHBondContact O-CB 3.16Å; E142-A146 PolarHBondContact O-N 3.31Å
143K97.9Very high96.5Very high154 Ų15476.4 Ų76.467%0.6737%0.365SS*.Hα-helixtrans-60-39.7175.3-174.6177.7-179.2179.50112.1E139 L141 A146 E147E139-K143 VanDerWaalsContact O-CB 3.27Å; E139-K143 WeakPolarHBondContact O-CB 3.29Å; E139-K143 PolarHBondContact O-N 3.31Å; L141-K143 VanDerWaalsContact C-N 3.3Å; L141-K143 PolarHBondContact O-N 2.99Å; K143-A146 PolarHBondContact O-N 3.36Å; K143-E147 PolarHBondContact O-N 3.36Å; K143-E147 VanDerWaalsContact O-N 3.12Å
144C96.5Very high96Very high11 Ų1179 Ų797%0.07438%0.375CS..Hα-helixtrans-69.4-42.6178.2-160.30000111.6S140 L141 E142 A146 E147 L148 I175 K178S140-C144 PolarHBondContact O-N 3Å; L141-C144 WeakPolarHBondContact O-CB 3.36Å; L141-C144 PolarHBondContact O-N 3.22Å; E142-C144 VanDerWaalsContact C-N 3.3Å; E142-C144 PolarHBondContact O-N 3.17Å; C144-A146 VanDerWaalsContact C-N 3.33Å; C144-A146 PolarHBondContact O-N 3.48Å; C144-E147 PolarHBondContact O-N 2.99Å; C144-L148 PolarHBondContact O-N 2.93Å; C144-I175 HydrophobicContact CB-CG1 3.99Å; C144-K178 HydrophobicContact CB-CD 4.07Å
145Q97.5Very high95.4Very high82 Ų8278.6 Ų78.638%0.38338%0.376SS..Hα-helixtrans-60.9-40.6173.7-68174.3-8.300112.1L141 E142 L148 K149 I175L141-Q145 HydrophobicContact CD1-CG 4.39Å; L141-Q145 WeakPolarHBondContact O-CG 3.44Å; L141-Q145 PolarHBondContact O-N 3.3Å; E142-Q145 PolarHBondContact O-N 3.28Å; Q145-L148 PolarHBondContact O-N 3.46Å; Q145-K149 WeakPolarHBondContact O-CB 3.14Å; Q145-K149 PolarHBondContact O-N 3.38Å; Q145-I175 HydrophobicContact CB-CD1 4.37Å; Q145-I175 HydrophobicContact CG-CD1 3.92Å; Q145-I175 HydrophobicContact CG-CG1 4Å; Q145-I175 HydrophobicContact CG-CG2 4.04Å
146A97.7Very high94.5Very high56 Ų5680.6 Ų80.646%0.46339%0.387SS..Hα-helixtrans-64.3-42.4176.900000112.4E142 K143 C144 K149 K150E142-A146 WeakPolarHBondContact O-CB 3.16Å; E142-A146 PolarHBondContact O-N 3.31Å; K143-A146 PolarHBondContact O-N 3.36Å; C144-A146 VanDerWaalsContact C-N 3.33Å; C144-A146 PolarHBondContact O-N 3.48Å; A146-K149 PolarHBondContact O-N 2.98Å; A146-K150 WeakPolarHBondContact O-CB 3.27Å; A146-K150 PolarHBondContact O-N 3.33Å
147E96.3Very high93.3Very high80 Ų8081.1 Ų81.137%0.37440%0.404SS..Hα-helixtrans-67-38.7175.9-73.9-60.4140.400112.4K143 C144 K150 L151 F171K143-E147 PolarHBondContact O-N 3.36Å; K143-E147 VanDerWaalsContact O-N 3.12Å; C144-E147 PolarHBondContact O-N 2.99Å; E147-K150 WeakPolarHBondContact O-CB 3.44Å; E147-K150 PolarHBondContact O-N 3.09Å; E147-K150 IonicContact OE1-NZ 2.9Å; E147-L151 WeakPolarHBondContact O-CB 3.48Å; E147-L151 PolarHBondContact O-N 2.64Å; E147-F171 HydrophobicContact CB-CE1 3.91Å; E147-F171 HydrophobicContact CB-CZ 3.96Å
148L95.9Very high92.4Very high12 Ų1279.9 Ų79.96%0.06340%0.403CS..Hα-helixtrans-60.4-46.9171.3176.956.5000111.5C144 Q145 K150 L151 R152 E168 F171 V172 I175C144-L148 PolarHBondContact O-N 2.93Å; Q145-L148 PolarHBondContact O-N 3.46Å; L148-K150 VanDerWaalsContact C-N 3.27Å; L148-K150 PolarHBondContact O-N 3.28Å; L148-L151 WeakPolarHBondContact O-CB 3.44Å; L148-L151 PolarHBondContact O-N 2.88Å; L148-L151 VanDerWaalsContact O-N 3.15Å; L148-R152 HydrophobicContact CD1-CG 4.29Å; L148-R152 WeakPolarHBondContact O-CG 3.43Å; L148-R152 PolarHBondContact O-N 3.48Å; L148-E168 HydrophobicContact CD1-CG 3.56Å; L148-F171 HydrophobicContact CB-CB 4.02Å; L148-F171 HydrophobicContact CB-CG 4.4Å; L148-F171 HydrophobicContact CD1-CB 3.85Å; L148-F171 HydrophobicContact CG-CB 4.34Å; L148-V172 HydrophobicContact CD2-CG2 3.89Å; L148-I175 HydrophobicContact CB-CD1 3.88Å; L148-I175 HydrophobicContact CD2-CD1 3.39Å; L148-I175 HydrophobicContact CG-CD1 4.26Å
149K95.8Very high91.4Very high126 Ų12688.6 Ų88.655%0.54844%0.437SS..Hα-helixtrans-60.4-38.9177.5-170.7174.4-175.7173.70111.4Q145 A146 R153Q145-K149 WeakPolarHBondContact O-CB 3.14Å; Q145-K149 PolarHBondContact O-N 3.38Å; A146-K149 PolarHBondContact O-N 2.98Å; K149-R153 WeakPolarHBondContact O-CG 3.28Å; K149-R153 PolarHBondContact O-N 3.04Å; K149-R153 VanDerWaalsContact O-N 3.12Å
150K94.9Very high90.2Very high98 Ų9889.6 Ų89.643%0.42644%0.441SS..Hα-helixtrans-67.6-39.7175-171.4-179.5-178.1-177.50112A146 E147 L148 R153 K154A146-K150 WeakPolarHBondContact O-CB 3.27Å; A146-K150 PolarHBondContact O-N 3.33Å; E147-K150 WeakPolarHBondContact O-CB 3.44Å; E147-K150 PolarHBondContact O-N 3.09Å; E147-K150 IonicContact OE1-NZ 2.9Å; L148-K150 VanDerWaalsContact C-N 3.27Å; L148-K150 PolarHBondContact O-N 3.28Å; K150-R153 PolarHBondContact O-N 3.05Å; K150-K154 WeakPolarHBondContact O-CG 3.48Å; K150-K154 PolarHBondContact O-N 3.09Å; K150-K154 VanDerWaalsContact O-N 3.16Å
151L92.6Very high88.8Confident16 Ų1691.6 Ų91.68%0.08445%0.453CS..Hα-helixtrans-62.1-47.9174.5-17571.4000111.2E147 L148 R153 K154 S155 Y164 K167 E168 F171E147-L151 WeakPolarHBondContact O-CB 3.48Å; E147-L151 PolarHBondContact O-N 2.64Å; L148-L151 WeakPolarHBondContact O-CB 3.44Å; L148-L151 PolarHBondContact O-N 2.88Å; L148-L151 VanDerWaalsContact O-N 3.15Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 2.93Å; L151-K154 CarbonylContact O-C 3.59Å; L151-K154 WeakPolarHBondContact O-CB 3.42Å; L151-K154 PolarHBondContact O-N 3.47Å; L151-S155 PolarHBondContact O-N 3.46Å; L151-Y164 HydrophobicContact CD1-CD1 3.77Å; L151-Y164 HydrophobicContact CD1-CE1 4.39Å; L151-Y164 HydrophobicContact CG-CD1 4.49Å; L151-K167 HydrophobicContact CD1-CD 4.24Å; L151-K167 HydrophobicContact CD2-CB 4.1Å; L151-K167 HydrophobicContact CD2-CG 4.01Å; L151-E168 HydrophobicContact CD2-CB 4Å; L151-F171 HydrophobicContact CD2-CD2 3.75Å; L151-F171 HydrophobicContact CD2-CE2 4.04Å
152R90.9Very high87.6Confident114 Ų11496 Ų9643%0.4348%0.484SS..Hα-helixtrans-59.8-37.5177.6-74.8176.6168164.61.1113.1L148 K154 S155 Q156 E168L148-R152 HydrophobicContact CD1-CG 4.29Å; L148-R152 WeakPolarHBondContact O-CG 3.43Å; L148-R152 PolarHBondContact O-N 3.48Å; R152-K154 VanDerWaalsContact C-N 3.34Å; R152-S155 WeakPolarHBondContact CA-OG 3.38Å; R152-S155 PolarHBondContact O-N 3.31Å; R152-S155 PolarHBondContact O-OG 3.32Å; R152-Q156 WeakPolarHBondContact O-CG 3.31Å; R152-Q156 PolarHBondContact O-N 3.37Å; R152-E168 IonicContact CZ-OE1 3.29Å; R152-E168 VanDerWaalsContact CZ-OE1 3.26Å; R152-E168 IonicContact NE-OE1 3.42Å; R152-E168 PolarHBondContact NE-OE1 3.39Å; R152-E168 IonicContact NH2-OE1 2.68Å; R152-E168 PolarHBondContact NH2-OE1 2.87Å
153R90.8Very high86.6Confident178 Ų17897.7 Ų97.767%0.67249%0.49SS*.Hα-helixtrans-66.5-34.8173.5-73.8173.8177.7-176.3-3.5112.8K149 K150 L151K149-R153 WeakPolarHBondContact O-CG 3.28Å; K149-R153 PolarHBondContact O-N 3.04Å; K149-R153 VanDerWaalsContact O-N 3.12Å; K150-R153 PolarHBondContact O-N 3.05Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 2.93Å
154K88.3Confident85.8Confident131 Ų13193.7 Ų93.757%0.5747%0.471SS*.Hα-helixtrans-77.4-28177.4-71175.9177.1-173.40112.9K150 L151 R152K150-K154 WeakPolarHBondContact O-CG 3.48Å; K150-K154 PolarHBondContact O-N 3.09Å; K150-K154 VanDerWaalsContact O-N 3.16Å; L151-K154 CarbonylContact O-C 3.59Å; L151-K154 WeakPolarHBondContact O-CB 3.42Å; L151-K154 PolarHBondContact O-N 3.47Å; R152-K154 VanDerWaalsContact C-N 3.34Å
155S85.5Confident85.2Confident26 Ų2694.8 Ų94.818%0.18249%0.485CS..Hα-helixtrans-75.9-32.7177.666.30000111.9L151 R152 G157 S158L151-S155 PolarHBondContact O-N 3.46Å; R152-S155 WeakPolarHBondContact CA-OG 3.38Å; R152-S155 PolarHBondContact O-N 3.31Å; R152-S155 PolarHBondContact O-OG 3.32Å; S155-G157 PolarHBondContact O-N 2.92Å; S155-G157 VanDerWaalsContact O-N 3.1Å; S155-S158 WeakPolarHBondContact O-CB 3.4Å; S155-S158 PolarHBondContact O-N 3.48Å; S155-S158 VanDerWaalsContact O-N 3.11Å
156Q79.5Confident84.7Confident171 Ų17196.4 Ų96.480%0.79950%0.496SS*.THydrogen-bonded Turntrans-65.3107.7171.2-70.1-131.8-21.800110.8R152R152-Q156 WeakPolarHBondContact O-CG 3.31Å; R152-Q156 PolarHBondContact O-N 3.37Å
157G73.2Confident84.4Confident85 Ų8599.2 Ų99.288%0.87650%0.498SS*.THydrogen-bonded Turntrans105.4-1-176.800000114.9S155S155-G157 PolarHBondContact O-N 2.92Å; S155-G157 VanDerWaalsContact O-N 3.1Å
158S79.6Confident84.1Confident31 Ų3197.9 Ų97.922%0.21749%0.491CS..  trans-74.5138.1173.8173.20000112S155 H160 Y164S155-S158 WeakPolarHBondContact O-CB 3.4Å; S155-S158 PolarHBondContact O-N 3.48Å; S155-S158 VanDerWaalsContact O-N 3.11Å; S158-H160 PolarHBondContact O-N 2.99Å; S158-H160 PolarHBondContact OG-N 3.41Å; S158-H160 VanDerWaalsContact OG-N 3.09Å; S158-H160 PolarHBondContact OG-O 3Å; S158-Y164 VanDerWaalsContact OG-CE2 3.3Å; S158-Y164 WeakPolarHBondContact OG-CE2 3.48Å
159K76.6Confident84Confident198 Ų198102.8 Ų102.886%0.86152%0.515SS*.SBendtrans-70.7-12.3171.4-66.5-173.8178.5-177.30113.7
160H71.4Confident83.9Confident125 Ų125102.8 Ų102.858%0.57952%0.517SS*.  trans-128.879177.9-64.6-74.1000111.2S158 S162 K163 Y164S158-H160 PolarHBondContact O-N 2.99Å; S158-H160 PolarHBondContact OG-N 3.41Å; S158-H160 VanDerWaalsContact OG-N 3.09Å; S158-H160 PolarHBondContact OG-O 3Å; H160-S162 VanDerWaalsContact C-N 3.31Å; H160-S162 PolarHBondContact O-N 3.23Å; H160-K163 HydrophobicContact CB-CB 4.32Å; H160-K163 PolarHBondContact O-N 3.27Å; H160-Y164 WeakPolarHBondContact O-CD2 3.32Å
161P69Low83.9Confident92 Ų92100.3 Ų100.360%0.59751%0.506SS*.THydrogen-bonded Turntrans-61.9-36.3-178.6-2334000113.4K163 Y164P161-K163 PolarHBondContact O-N 2.86Å; P161-Y164 PolarHBondContact O-N 2.99Å
162S72.5Confident84.1Confident100 Ų100102.6 Ų102.670%0.69952%0.521SS*.Hα-helixtrans-60.6-26.6-179.950.80000113.8H160 Y164 G165H160-S162 VanDerWaalsContact C-N 3.31Å; H160-S162 PolarHBondContact O-N 3.23Å; S162-Y164 PolarHBondContact O-N 3.47Å; S162-G165 PolarHBondContact O-N 3.33Å
163K76.2Confident84.4Confident166 Ų166102.7 Ų102.772%0.72253%0.526SS*.Hα-helixtrans-69.1-19.1180-167.5176.8179.5177.60113.6H160 P161H160-K163 HydrophobicContact CB-CB 4.32Å; H160-K163 PolarHBondContact O-N 3.27Å; P161-K163 PolarHBondContact O-N 2.86Å
164Y81.9Confident84.7Confident69 Ų6995.8 Ų95.827%0.27151%0.507SS..Hα-helixtrans-99.6-15.5-176.5-65.3-96.8000112.8L151 S158 H160 P161 S162 K167 E168L151-Y164 HydrophobicContact CD1-CD1 3.77Å; L151-Y164 HydrophobicContact CD1-CE1 4.39Å; L151-Y164 HydrophobicContact CG-CD1 4.49Å; S158-Y164 VanDerWaalsContact OG-CE2 3.3Å; S158-Y164 WeakPolarHBondContact OG-CE2 3.48Å; H160-Y164 WeakPolarHBondContact O-CD2 3.32Å; P161-Y164 PolarHBondContact O-N 2.99Å; S162-Y164 PolarHBondContact O-N 3.47Å; Y164-K167 PolarHBondContact O-N 3.03Å; Y164-E168 WeakPolarHBondContact O-CB 3.47Å; Y164-E168 PolarHBondContact O-N 3.44Å
165G83.6Confident85.1Confident35 Ų3590.8 Ų90.836%0.36149%0.487SS..Hα-helixtrans-59.9-50.6-174.900000113.3S162 K167 E168 M169S162-G165 PolarHBondContact O-N 3.33Å; G165-K167 VanDerWaalsContact C-N 3.31Å; G165-K167 PolarHBondContact O-N 3.32Å; G165-E168 WeakPolarHBondContact O-CB 2.9Å; G165-E168 PolarHBondContact O-N 2.77Å; G165-E168 VanDerWaalsContact O-N 3.15Å; G165-M169 PolarHBondContact O-N 3.28Å
166D87.2Confident85.7Confident116 Ų11693.1 Ų93.162%0.6250%0.503SS*.Hα-helixtrans-61.1-41.5-178.9-60.6-24.6000112M169 Q170D166-M169 PolarHBondContact O-N 2.92Å; D166-Q170 WeakPolarHBondContact O-CG 3.37Å; D166-Q170 PolarHBondContact O-N 3.29Å
167K89.8Confident86.5Confident115 Ų11589.8 Ų89.850%0.549%0.491SS..Hα-helixtrans-70.9-33.6178.8-166.8168-174.1165.40112L151 Y164 G165 F171L151-K167 HydrophobicContact CD1-CD 4.24Å; L151-K167 HydrophobicContact CD2-CB 4.1Å; L151-K167 HydrophobicContact CD2-CG 4.01Å; Y164-K167 PolarHBondContact O-N 3.03Å; G165-K167 VanDerWaalsContact C-N 3.31Å; G165-K167 PolarHBondContact O-N 3.32Å; K167-F171 HydrophobicContact CG-CD2 4.28Å; K167-F171 HydrophobicContact CG-CE2 4.02Å; K167-F171 WeakPolarHBondContact O-CD2 3.27Å; K167-F171 PolarHBondContact O-N 3.37Å
168E91.8Very high87.7Confident51 Ų5188.4 Ų88.424%0.23846%0.46CS..Hα-helixtrans-65.3-45.6173.1-166.8175.1158.700110.9L148 L151 R152 Y164 G165 Q170 F171 V172L148-E168 HydrophobicContact CD1-CG 3.56Å; L151-E168 HydrophobicContact CD2-CB 4Å; R152-E168 IonicContact CZ-OE1 3.29Å; R152-E168 VanDerWaalsContact CZ-OE1 3.26Å; R152-E168 IonicContact NE-OE1 3.42Å; R152-E168 PolarHBondContact NE-OE1 3.39Å; R152-E168 IonicContact NH2-OE1 2.68Å; R152-E168 PolarHBondContact NH2-OE1 2.87Å; Y164-E168 WeakPolarHBondContact O-CB 3.47Å; Y164-E168 PolarHBondContact O-N 3.44Å; G165-E168 WeakPolarHBondContact O-CB 2.9Å; G165-E168 PolarHBondContact O-N 2.77Å; G165-E168 VanDerWaalsContact O-N 3.15Å; E168-Q170 PolarHBondContact O-N 3.03Å; E168-F171 PolarHBondContact O-N 3.37Å; E168-V172 WeakPolarHBondContact O-CG2 3.26Å; E168-V172 PolarHBondContact O-N 3.05Å
169M92.4Very high88.5Confident116 Ų11689.9 Ų89.957%0.57146%0.464SS*.Hα-helixtrans-59.5-45.4176.5-168.2125.473.800111.7G165 D166 F171 V172 E173G165-M169 PolarHBondContact O-N 3.28Å; D166-M169 PolarHBondContact O-N 2.92Å; M169-F171 VanDerWaalsContact C-N 3.31Å; M169-F171 PolarHBondContact O-N 3.42Å; M169-V172 PolarHBondContact O-N 3.25Å; M169-V172 VanDerWaalsContact O-N 3.1Å; M169-E173 PolarHBondContact O-N 3.49Å
170Q93.8Very high89.5Confident125 Ų12583.2 Ų83.258%0.58444%0.442SS*.Hα-helixtrans-57.3-40.9175.2-74172.416.600112.9D166 E168 A174D166-Q170 WeakPolarHBondContact O-CG 3.37Å; D166-Q170 PolarHBondContact O-N 3.29Å; E168-Q170 PolarHBondContact O-N 3.03Å; Q170-A174 VanDerWaalsContact O-CB 3.28Å; Q170-A174 WeakPolarHBondContact O-CB 3.41Å; Q170-A174 PolarHBondContact O-N 2.89Å
171F96Very high90.7Very high46 Ų4682.1 Ų82.120%0.20244%0.438CS..Hα-helixtrans-70.1-36.7176.2-82.6-57.5000112.5E147 L148 L151 K167 E168 M169 A174 I175E147-F171 HydrophobicContact CB-CE1 3.91Å; E147-F171 HydrophobicContact CB-CZ 3.96Å; L148-F171 HydrophobicContact CB-CB 4.02Å; L148-F171 HydrophobicContact CB-CG 4.4Å; L148-F171 HydrophobicContact CD1-CB 3.85Å; L148-F171 HydrophobicContact CG-CB 4.34Å; L151-F171 HydrophobicContact CD2-CD2 3.75Å; L151-F171 HydrophobicContact CD2-CE2 4.04Å; K167-F171 HydrophobicContact CG-CD2 4.28Å; K167-F171 HydrophobicContact CG-CE2 4.02Å; K167-F171 WeakPolarHBondContact O-CD2 3.27Å; K167-F171 PolarHBondContact O-N 3.37Å; E168-F171 PolarHBondContact O-N 3.37Å; M169-F171 VanDerWaalsContact C-N 3.31Å; M169-F171 PolarHBondContact O-N 3.42Å; F171-A174 PolarHBondContact O-N 3.24Å; F171-I175 WeakPolarHBondContact O-CB 3.46Å; F171-I175 WeakPolarHBondContact O-CD1 3.37Å; F171-I175 WeakPolarHBondContact O-CG1 3.36Å; F171-I175 PolarHBondContact O-N 2.95Å
172V95.8Very high92.1Very high65 Ų6578.5 Ų78.539%0.39441%0.413SS..Hα-helixtrans-62.9-46.4175.3171.40000110.6L148 E168 M169 I175 S176L148-V172 HydrophobicContact CD2-CG2 3.89Å; E168-V172 WeakPolarHBondContact O-CG2 3.26Å; E168-V172 PolarHBondContact O-N 3.05Å; M169-V172 PolarHBondContact O-N 3.25Å; M169-V172 VanDerWaalsContact O-N 3.1Å; V172-I175 PolarHBondContact O-N 2.88Å; V172-S176 PolarHBondContact O-N 3.39Å
173E96.4Very high93.3Very high115 Ų11576.1 Ų76.154%0.53739%0.393SS..Hα-helixtrans-61-45.3174.2-72.3178.9-179.800111.8M169 I175 S176 N177M169-E173 PolarHBondContact O-N 3.49Å; E173-I175 VanDerWaalsContact C-N 3.35Å; E173-I175 PolarHBondContact O-N 2.93Å; E173-S176 PolarHBondContact O-N 3.02Å; E173-N177 PolarHBondContact O-N 3.33Å; E173-N177 PolarHBondContact O-ND2 3.01Å
174A97.1Very high94.3Very high33 Ų3372.9 Ų72.927%0.27338%0.383SS..Hα-helixtrans-62.5-39.1178.100000112.8Q170 F171 K178Q170-A174 VanDerWaalsContact O-CB 3.28Å; Q170-A174 WeakPolarHBondContact O-CB 3.41Å; Q170-A174 PolarHBondContact O-N 2.89Å; F171-A174 PolarHBondContact O-N 3.24Å; A174-K178 WeakPolarHBondContact O-CB 3.12Å; A174-K178 VanDerWaalsContact O-CG 3.31Å; A174-K178 WeakPolarHBondContact O-CG 3.41Å; A174-K178 PolarHBondContact O-N 3.35Å
175I97.7Very high95.1Very high27 Ų2771.4 Ų71.414%0.13838%0.377CS..Hα-helixtrans-65.3-44.8174.4-72.2163.3000110.3L141 C144 Q145 L148 F171 V172 E173 N177 K178 Q179L141-I175 HydrophobicContact CD1-CG2 3.95Å; C144-I175 HydrophobicContact CB-CG1 3.99Å; Q145-I175 HydrophobicContact CB-CD1 4.37Å; Q145-I175 HydrophobicContact CG-CD1 3.92Å; Q145-I175 HydrophobicContact CG-CG1 4Å; Q145-I175 HydrophobicContact CG-CG2 4.04Å; L148-I175 HydrophobicContact CB-CD1 3.88Å; L148-I175 HydrophobicContact CD2-CD1 3.39Å; L148-I175 HydrophobicContact CG-CD1 4.26Å; F171-I175 WeakPolarHBondContact O-CB 3.46Å; F171-I175 WeakPolarHBondContact O-CD1 3.37Å; F171-I175 WeakPolarHBondContact O-CG1 3.36Å; F171-I175 PolarHBondContact O-N 2.95Å; V172-I175 PolarHBondContact O-N 2.88Å; E173-I175 VanDerWaalsContact C-N 3.35Å; E173-I175 PolarHBondContact O-N 2.93Å; I175-N177 VanDerWaalsContact C-N 3.34Å; I175-N177 PolarHBondContact O-N 2.57Å; I175-K178 PolarHBondContact O-N 3.41Å; I175-Q179 VanDerWaalsContact O-CB 3.25Å; I175-Q179 WeakPolarHBondContact O-CB 3.25Å; I175-Q179 PolarHBondContact O-N 2.97Å
176S97.4Very high95.8Very high75 Ų7569.9 Ų69.952%0.52436%0.361SS..Hα-helixtrans-59.6-44.9177.6-1760000111.6V172 E173 Q179 S180V172-S176 PolarHBondContact O-N 3.39Å; E173-S176 PolarHBondContact O-N 3.02Å; S176-Q179 PolarHBondContact O-N 3.09Å; S176-S180 WeakPolarHBondContact O-CB 3.25Å; S176-S180 PolarHBondContact O-N 2.95Å
177N97.8Very high96.3Very high101 Ų10166.1 Ų66.154%0.5435%0.346SS..Hα-helixtrans-62.7-47.8176.3-70.9-19.4000112E173 I175 Q179 S180 E181E173-N177 PolarHBondContact O-N 3.33Å; E173-N177 PolarHBondContact O-ND2 3.01Å; I175-N177 VanDerWaalsContact C-N 3.34Å; I175-N177 PolarHBondContact O-N 2.57Å; N177-Q179 VanDerWaalsContact C-N 3.34Å; N177-Q179 PolarHBondContact O-N 3.38Å; N177-S180 WeakPolarHBondContact O-CB 3.35Å; N177-S180 PolarHBondContact O-N 2.82Å; N177-E181 WeakPolarHBondContact O-CG 3.47Å; N177-E181 PolarHBondContact O-N 2.89Å
178K97.6Very high96.7Very high55 Ų5565 Ų6524%0.23934%0.342CS..Hα-helixtrans-65-35.8178.3-73.2-174.9-174.1-162.50113.2S140 L141 C144 A174 I175 E181 L182S140-K178 WeakPolarHBondContact O-CD 3.49Å; S140-K178 PolarHBondContact O-NZ 3.18Å; S140-K178 WeakPolarHBondContact OG-CE 3.26Å; S140-K178 PolarHBondContact OG-NZ 2.82Å; L141-K178 HydrophobicContact CB-CB 4.25Å; L141-K178 HydrophobicContact CD1-CB 3.81Å; C144-K178 HydrophobicContact CB-CD 4.07Å; A174-K178 WeakPolarHBondContact O-CB 3.12Å; A174-K178 VanDerWaalsContact O-CG 3.31Å; A174-K178 WeakPolarHBondContact O-CG 3.41Å; A174-K178 PolarHBondContact O-N 3.35Å; I175-K178 PolarHBondContact O-N 3.41Å; K178-E181 PolarHBondContact O-N 2.74Å; K178-L182 PolarHBondContact O-N 3.11Å
179Q97.3Very high97Very high63 Ų6362.9 Ų62.929%0.29433%0.334SS..Hα-helixtrans-63.4-48.8174.3-177.664.261.800110.1L141 I175 S176 N177 E181 L182 D183L141-Q179 HydrophobicContact CD1-CB 4.24Å; L141-Q179 HydrophobicContact CD2-CB 4.49Å; I175-Q179 VanDerWaalsContact O-CB 3.25Å; I175-Q179 WeakPolarHBondContact O-CB 3.25Å; I175-Q179 PolarHBondContact O-N 2.97Å; S176-Q179 PolarHBondContact O-N 3.09Å; N177-Q179 VanDerWaalsContact C-N 3.34Å; N177-Q179 PolarHBondContact O-N 3.38Å; Q179-E181 VanDerWaalsContact C-N 3.32Å; Q179-E181 PolarHBondContact O-N 2.6Å; Q179-L182 PolarHBondContact O-N 3.42Å; Q179-L182 VanDerWaalsContact O-N 3.13Å; Q179-D183 PolarHBondContact NE2-OD1 3.42Å; Q179-D183 PolarHBondContact NE2-OD2 3.32Å; Q179-D183 PolarHBondContact O-N 3.46Å
180S96.8Very high97.3Very high58 Ų5861 Ų6141%0.40632%0.321SS..Hα-helixtrans-58.3-42.5175.2-179.30000112.2S176 N177 L182 D183 N184S176-S180 WeakPolarHBondContact O-CB 3.25Å; S176-S180 PolarHBondContact O-N 2.95Å; N177-S180 WeakPolarHBondContact O-CB 3.35Å; N177-S180 PolarHBondContact O-N 2.82Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-L182 PolarHBondContact O-N 2.85Å; S180-D183 PolarHBondContact O-N 2.86Å; S180-N184 VanDerWaalsContact O-CB 3.27Å; S180-N184 WeakPolarHBondContact O-CB 3.31Å; S180-N184 PolarHBondContact O-N 3.43Å; S180-N184 PolarHBondContact O-ND2 3.2Å; S180-N184 PolarHBondContact OG-ND2 3.46Å
181E97.4Very high97.5Very high102 Ų10260.3 Ų60.348%0.47732%0.316SS..Hα-helixtrans-61.7-38.5175-78.2-176.4-150.600113.6K137 N177 K178 Q179 Y185K137-E181 IonicContact NZ-OE2 2.71Å; K137-E181 PolarHBondContact NZ-OE2 3.13Å; N177-E181 WeakPolarHBondContact O-CG 3.47Å; N177-E181 PolarHBondContact O-N 2.89Å; K178-E181 PolarHBondContact O-N 2.74Å; Q179-E181 VanDerWaalsContact C-N 3.32Å; Q179-E181 PolarHBondContact O-N 2.6Å; E181-Y185 WeakPolarHBondContact O-CB 3.45Å; E181-Y185 PolarHBondContact O-N 2.9Å
182L97.4Very high97.7Very high16 Ų1662 Ų628%0.08433%0.327CS..Hα-helixtrans-69.5-46.4176.6177.561.3000110.8K137 L141 K178 Q179 S180 N184 Y185 I186K137-L182 HydrophobicContact CB-CD1 3.95Å; L141-L182 HydrophobicContact CD2-CD2 4.03Å; K178-L182 PolarHBondContact O-N 3.11Å; Q179-L182 PolarHBondContact O-N 3.42Å; Q179-L182 VanDerWaalsContact O-N 3.13Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-L182 PolarHBondContact O-N 2.85Å; L182-N184 PolarHBondContact O-N 2.95Å; L182-Y185 WeakPolarHBondContact O-CB 3.39Å; L182-Y185 PolarHBondContact O-N 3.23Å; L182-I186 HydrophobicContact CD1-CD1 3.87Å; L182-I186 HydrophobicContact CD1-CG1 4.33Å; L182-I186 HydrophobicContact CG-CD1 3.91Å; L182-I186 WeakPolarHBondContact O-CG1 3.46Å; L182-I186 PolarHBondContact O-N 2.85Å
183D96.9Very high97.8Very high50 Ų5058.9 Ų58.927%0.26731%0.308SS..Hα-helixtrans-61.9-44.8179-68.7-35000111.3T13 Q179 S180 Y185 I186 A187T13-D183 WeakPolarHBondContact CG2-OD1 3.44Å; T13-D183 PolarHBondContact OG1-OD1 3.35Å; Q179-D183 PolarHBondContact NE2-OD1 3.42Å; Q179-D183 PolarHBondContact NE2-OD2 3.32Å; Q179-D183 PolarHBondContact O-N 3.46Å; S180-D183 PolarHBondContact O-N 2.86Å; D183-Y185 VanDerWaalsContact C-N 3.34Å; D183-Y185 PolarHBondContact O-N 3.24Å; D183-I186 PolarHBondContact O-N 3.12Å; D183-A187 WeakPolarHBondContact O-CB 3.34Å; D183-A187 PolarHBondContact O-N 3.16Å
184N97.6Very high97.9Very high97 Ų9756.3 Ų56.352%0.51930%0.298SS..Hα-helixtrans-62.3-42175-73.1-35.1000111.5S180 L182 I186 A187 E188S180-N184 VanDerWaalsContact O-CB 3.27Å; S180-N184 WeakPolarHBondContact O-CB 3.31Å; S180-N184 PolarHBondContact O-N 3.43Å; S180-N184 PolarHBondContact O-ND2 3.2Å; S180-N184 PolarHBondContact OG-ND2 3.46Å; L182-N184 PolarHBondContact O-N 2.95Å; N184-I186 VanDerWaalsContact C-N 3.35Å; N184-I186 PolarHBondContact O-N 3.04Å; N184-A187 PolarHBondContact O-N 3.43Å; N184-E188 WeakPolarHBondContact O-CG 3.4Å; N184-E188 PolarHBondContact O-N 3.08Å
185Y98.4Very high98Very high39 Ų3957.2 Ų57.215%0.15330%0.302CS..Hα-helixtrans-62.9-41.3177.7-178.9-101.4000112.3Y130 E133 H134 K137 E181 L182 D183 G189Y130-Y185 VanDerWaalsContact CA-OH 3.28Å; Y130-Y185 WeakPolarHBondContact CA-OH 3.48Å; Y130-Y185 AromaticContact CD2-CE1 3.82Å; Y130-Y185 HydrophobicContact CD2-CE1 3.82Å; Y130-Y185 AromaticContact CD2-CZ 3.99Å; Y130-Y185 HydrophobicContact CE2-CD1 4.49Å; Y130-Y185 AromaticContact CE2-CE1 3.9Å; Y130-Y185 HydrophobicContact CE2-CE1 3.9Å; Y130-Y185 PolarHBondContact O-OH 3.44Å; E133-Y185 HydrophobicContact CB-CE1 3.97Å; E133-Y185 HydrophobicContact CB-CE2 4.01Å; E133-Y185 VanDerWaalsContact CB-CZ 3.46Å; E133-Y185 WeakPolarHBondContact CB-OH 3.48Å; E133-Y185 WeakPolarHBondContact OE2-CE2 3.43Å; E133-Y185 PolarHBondContact OE2-OH 3.21Å; H134-Y185 HydrophobicContact CB-CD1 4.42Å; H134-Y185 HydrophobicContact CB-CE1 3.95Å; K137-Y185 HydrophobicContact CD-CD1 4.14Å; K137-Y185 HydrophobicContact CD-CD2 4.29Å; K137-Y185 HydrophobicContact CD-CG 3.79Å; E181-Y185 WeakPolarHBondContact O-CB 3.45Å; E181-Y185 PolarHBondContact O-N 2.9Å; L182-Y185 WeakPolarHBondContact O-CB 3.39Å; L182-Y185 PolarHBondContact O-N 3.23Å; D183-Y185 VanDerWaalsContact C-N 3.34Å; D183-Y185 PolarHBondContact O-N 3.24Å; Y185-G189 PolarHBondContact O-N 3.49Å
186I98.4Very high98Very high3 Ų356.7 Ų56.72%0.01530%0.299CS..Hα-helixtrans-67-43176.2-70.4165.1000111T13 V16 H17 L182 D183 N184 E188 G189 Y190T13-I186 HydrophobicContact CG2-CD1 3.2Å; T13-I186 HydrophobicContact CG2-CG1 4.45Å; V16-I186 HydrophobicContact CB-CG2 3.9Å; V16-I186 HydrophobicContact CG1-CG2 3.65Å; H17-I186 HydrophobicContact CB-CD1 4.38Å; H17-I186 HydrophobicContact CB-CG2 4.27Å; L182-I186 HydrophobicContact CD1-CD1 3.87Å; L182-I186 HydrophobicContact CD1-CG1 4.33Å; L182-I186 HydrophobicContact CG-CD1 3.91Å; L182-I186 WeakPolarHBondContact O-CG1 3.46Å; L182-I186 PolarHBondContact O-N 2.85Å; D183-I186 PolarHBondContact O-N 3.12Å; N184-I186 VanDerWaalsContact C-N 3.35Å; N184-I186 PolarHBondContact O-N 3.04Å; I186-E188 PolarHBondContact O-N 3.35Å; I186-G189 PolarHBondContact O-N 3.24Å; I186-Y190 WeakPolarHBondContact O-CB 3.4Å; I186-Y190 PolarHBondContact O-N 2.98Å
187A98.1Very high98Very high37 Ų3755.9 Ų55.931%0.30629%0.287SS..Hα-helixtrans-61.1-44.2177.400000112.1D183 N184 Y190 K191D183-A187 WeakPolarHBondContact O-CB 3.34Å; D183-A187 PolarHBondContact O-N 3.16Å; N184-A187 PolarHBondContact O-N 3.43Å; A187-Y190 PolarHBondContact O-N 2.87Å; A187-K191 WeakPolarHBondContact O-CG 3.3Å; A187-K191 PolarHBondContact O-N 3.45Å; A187-K191 VanDerWaalsContact O-N 3.12Å
188E98.4Very high98.1Very high91 Ų9159.6 Ų59.643%0.42529%0.294SS..Hα-helixtrans-68.7-40.4175.6-70.4-55.9121.800112N184 I186 Y190 K191 N192N184-E188 WeakPolarHBondContact O-CG 3.4Å; N184-E188 PolarHBondContact O-N 3.08Å; I186-E188 PolarHBondContact O-N 3.35Å; E188-Y190 VanDerWaalsContact C-N 3.3Å; E188-Y190 PolarHBondContact O-N 3.35Å; E188-K191 PolarHBondContact O-N 3.17Å; E188-K191 IonicContact OE1-NZ 3.26Å; E188-K191 PolarHBondContact OE1-NZ 3.14Å; E188-N192 WeakPolarHBondContact O-CB 3.49Å; E188-N192 PolarHBondContact O-N 3.37Å; E188-N192 PolarHBondContact O-ND2 3.42Å; E188-N192 VanDerWaalsContact O-ND2 3.15Å
189G98.6Very high98.1Very high6 Ų663.2 Ų63.26%0.06231%0.306CS..Hα-helixtrans-56.4-43.8173.200000112.5T20 Y185 I186 N192 A193T20-G189 WeakPolarHBondContact CG2-O 3.44Å; Y185-G189 PolarHBondContact O-N 3.49Å; I186-G189 PolarHBondContact O-N 3.24Å; G189-N192 PolarHBondContact O-N 3.08Å; G189-A193 WeakPolarHBondContact O-CB 3.39Å; G189-A193 PolarHBondContact O-N 3.26Å
190Y98.6Very high98.2Very high77 Ų7760.9 Ų60.930%0.30229%0.294SS..Hα-helixtrans-63.4-48.8176.9177.3-122.6000112.6V16 I19 T20 I186 A187 E188 N192 A193 L194V16-Y190 HydrophobicContact CG1-CD1 4.13Å; V16-Y190 HydrophobicContact CG1-CD2 4.3Å; V16-Y190 HydrophobicContact CG1-CG 3.76Å; I19-Y190 HydrophobicContact CB-CE2 4.39Å; I19-Y190 HydrophobicContact CG2-CD2 4.12Å; I19-Y190 HydrophobicContact CG2-CE2 3.51Å; T20-Y190 VanDerWaalsContact OG1-CA 3.28Å; T20-Y190 WeakPolarHBondContact OG1-CA 3.47Å; T20-Y190 WeakPolarHBondContact OG1-CB 3.48Å; I186-Y190 WeakPolarHBondContact O-CB 3.4Å; I186-Y190 PolarHBondContact O-N 2.98Å; A187-Y190 PolarHBondContact O-N 2.87Å; E188-Y190 VanDerWaalsContact C-N 3.3Å; E188-Y190 PolarHBondContact O-N 3.35Å; Y190-N192 VanDerWaalsContact C-N 3.28Å; Y190-N192 PolarHBondContact O-N 3.48Å; Y190-A193 PolarHBondContact O-N 2.98Å; Y190-L194 HydrophobicContact CD1-CD1 4.37Å; Y190-L194 HydrophobicContact CD2-CD1 4.37Å; Y190-L194 HydrophobicContact CD2-CG 4.23Å; Y190-L194 HydrophobicContact CE1-CD1 3.76Å; Y190-L194 HydrophobicContact CE2-CD1 3.72Å; Y190-L194 HydrophobicContact CE2-CD2 4.09Å; Y190-L194 HydrophobicContact CE2-CG 3.8Å; Y190-L194 VanDerWaalsContact CZ-CD1 3.41Å; Y190-L194 WeakPolarHBondContact O-CG 3.21Å; Y190-L194 PolarHBondContact O-N 2.9Å
191K98.6Very high98.3Very high111 Ų11163.9 Ų63.948%0.48330%0.297SS..Hα-helixtrans-58.7-41.8175.7-69.9174.3-168.5166.90111.6A187 E188 S195A187-K191 WeakPolarHBondContact O-CG 3.3Å; A187-K191 PolarHBondContact O-N 3.45Å; A187-K191 VanDerWaalsContact O-N 3.12Å; E188-K191 PolarHBondContact O-N 3.17Å; E188-K191 IonicContact OE1-NZ 3.26Å; E188-K191 PolarHBondContact OE1-NZ 3.14Å; K191-S195 VanDerWaalsContact O-CB 3.29Å; K191-S195 WeakPolarHBondContact O-CB 3.05Å; K191-S195 PolarHBondContact O-N 3.21Å; K191-S195 PolarHBondContact O-OG 2.92Å
192N98.6Very high98.3Very high80 Ų8061.9 Ų61.943%0.42829%0.294SS..Hα-helixtrans-64.1-47178.1-72.5-26.9000111.3E188 G189 Y190 L194 S195 E196E188-N192 WeakPolarHBondContact O-CB 3.49Å; E188-N192 PolarHBondContact O-N 3.37Å; E188-N192 PolarHBondContact O-ND2 3.42Å; E188-N192 VanDerWaalsContact O-ND2 3.15Å; G189-N192 PolarHBondContact O-N 3.08Å; Y190-N192 VanDerWaalsContact C-N 3.28Å; Y190-N192 PolarHBondContact O-N 3.48Å; N192-L194 PolarHBondContact O-N 2.96Å; N192-S195 CarbonylContact O-C 3.59Å; N192-S195 WeakPolarHBondContact O-CB 3.42Å; N192-S195 PolarHBondContact O-N 3.4Å; N192-S195 VanDerWaalsContact O-N 3.15Å; N192-E196 WeakPolarHBondContact O-CG 3.29Å; N192-E196 PolarHBondContact O-N 3.46Å
193A98.7Very high98.4Very high0 Ų062.8 Ų62.80%030%0.298CS..Hα-helixtrans-60.6-45.9178.100000112.3T20 V23 Y24 G189 Y190 S195 E196 E197T20-A193 HydrophobicContact CG2-CB 3.85Å; V23-A193 HydrophobicContact CB-CB 4.03Å; V23-A193 HydrophobicContact CG1-CB 3.92Å; V23-A193 WeakPolarHBondContact CG1-O 3.18Å; Y24-A193 HydrophobicContact CD2-CB 4.09Å; Y24-A193 HydrophobicContact CE2-CB 3.63Å; G189-A193 WeakPolarHBondContact O-CB 3.39Å; G189-A193 PolarHBondContact O-N 3.26Å; Y190-A193 PolarHBondContact O-N 2.98Å; A193-S195 VanDerWaalsContact C-N 3.3Å; A193-S195 PolarHBondContact O-N 2.88Å; A193-E196 WeakPolarHBondContact O-CB 3.27Å; A193-E196 PolarHBondContact O-N 3.34Å; A193-E197 PolarHBondContact O-N 3.45Å
194L98.8Very high98.5Very high62 Ų6262.2 Ų62.233%0.32529%0.294SS..Hα-helixtrans-63.2-37174.9-69.8-176.2000112.5V23 Y190 N192 E196 E197 R198V23-L194 HydrophobicContact CG2-CD2 4.02Å; Y190-L194 HydrophobicContact CD1-CD1 4.37Å; Y190-L194 HydrophobicContact CD2-CD1 4.37Å; Y190-L194 HydrophobicContact CD2-CG 4.23Å; Y190-L194 HydrophobicContact CE1-CD1 3.76Å; Y190-L194 HydrophobicContact CE2-CD1 3.72Å; Y190-L194 HydrophobicContact CE2-CD2 4.09Å; Y190-L194 HydrophobicContact CE2-CG 3.8Å; Y190-L194 VanDerWaalsContact CZ-CD1 3.41Å; Y190-L194 WeakPolarHBondContact O-CG 3.21Å; Y190-L194 PolarHBondContact O-N 2.9Å; N192-L194 PolarHBondContact O-N 2.96Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E197 PolarHBondContact O-N 2.9Å; L194-R198 WeakPolarHBondContact O-CB 3.47Å; L194-R198 PolarHBondContact O-N 2.71Å
195S98.6Very high98.5Very high52 Ų5261.9 Ų61.936%0.36430%0.296SS..Hα-helixtrans-68.2-34.2176.5-61.60000111.9K191 N192 A193 R199K191-S195 VanDerWaalsContact O-CB 3.29Å; K191-S195 WeakPolarHBondContact O-CB 3.05Å; K191-S195 PolarHBondContact O-N 3.21Å; K191-S195 PolarHBondContact O-OG 2.92Å; N192-S195 CarbonylContact O-C 3.59Å; N192-S195 WeakPolarHBondContact O-CB 3.42Å; N192-S195 PolarHBondContact O-N 3.4Å; N192-S195 VanDerWaalsContact O-N 3.15Å; A193-S195 VanDerWaalsContact C-N 3.3Å; A193-S195 PolarHBondContact O-N 2.88Å; S195-R199 VanDerWaalsContact O-CB 3.3Å; S195-R199 WeakPolarHBondContact O-CB 3.42Å; S195-R199 VanDerWaalsContact O-CG 3.27Å; S195-R199 WeakPolarHBondContact O-CG 3.47Å; S195-R199 PolarHBondContact O-N 2.87Å; S195-R199 PolarHBondContact O-NE 3.18Å
196E98Very high98.5Very high15 Ų1563.9 Ų63.97%0.0731%0.309CS..Hα-helixtrans-63.5-49.2171-74.3-56.6146.100111Y24 I27 Y122 N192 A193 L194 R198 R199 R200Y24-E196 HydrophobicContact CE1-CG 4.45Å; I27-E196 HydrophobicContact CD1-CB 4.34Å; Y122-E196 PolarHBondContact OH-OE1 3.45Å; N192-E196 WeakPolarHBondContact O-CG 3.29Å; N192-E196 PolarHBondContact O-N 3.46Å; A193-E196 WeakPolarHBondContact O-CB 3.27Å; A193-E196 PolarHBondContact O-N 3.34Å; L194-E196 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 2.96Å; E196-R199 VanDerWaalsContact CD-NH2 3.27Å; E196-R199 PolarHBondContact O-N 2.84Å; E196-R199 IonicContact OE1-CZ 2.73Å; E196-R199 IonicContact OE1-NH1 3.97Å; E196-R199 PolarHBondContact OE1-NH1 3.29Å; E196-R199 IonicContact OE1-NH2 3.35Å; E196-R199 PolarHBondContact OE1-NH2 2.86Å; E196-R200 VanDerWaalsContact CB-NH1 3.34Å; E196-R200 PolarHBondContact O-N 3.25Å; E196-R200 PolarHBondContact O-NH1 3.23Å; E196-R200 IonicContact OE2-CZ 3.35Å; E196-R200 IonicContact OE2-NH1 3.19Å; E196-R200 PolarHBondContact OE2-NH1 3.39Å; E196-R200 IonicContact OE2-NH2 2.6Å; E196-R200 PolarHBondContact OE2-NH2 3.01Å
197E98.3Very high98.5Very high58 Ų5866.3 Ų66.327%0.27132%0.318SS..Hα-helixtrans-57.6-52.2176.2-175.4178.7-125.400111.4V23 I27 A193 L194 R199 R200 Y201V23-E197 HydrophobicContact CG1-CB 3.98Å; I27-E197 HydrophobicContact CD1-CB 3.98Å; I27-E197 HydrophobicContact CG1-CB 4.33Å; I27-E197 HydrophobicContact CG1-CG 4.49Å; A193-E197 PolarHBondContact O-N 3.45Å; L194-E197 PolarHBondContact O-N 2.9Å; E197-R199 VanDerWaalsContact C-N 3.35Å; E197-R199 PolarHBondContact O-N 2.88Å; E197-R200 PolarHBondContact O-N 3.02Å; E197-Y201 HydrophobicContact CG-CD2 4.15Å; E197-Y201 HydrophobicContact CG-CE2 3.92Å; E197-Y201 WeakPolarHBondContact O-CD2 3.49Å; E197-Y201 PolarHBondContact O-N 3.49Å
198R98.8Very high98.5Very high180 Ų18068 Ų6868%0.67932%0.319SS*.Hα-helixtrans-59.1-43.1-179-175.8175.6179.981.30.8112.3L194 E196 R200 Y201 C202L194-R198 WeakPolarHBondContact O-CB 3.47Å; L194-R198 PolarHBondContact O-N 2.71Å; E196-R198 PolarHBondContact O-N 2.96Å; R198-R200 PolarHBondContact O-N 3.1Å; R198-Y201 PolarHBondContact O-N 2.95Å; R198-C202 WeakPolarHBondContact O-CB 3.38Å; R198-C202 PolarHBondContact O-N 3.08Å; R198-C202 PolarHBondContact O-SG 3.04Å; R198-C202 VanDerWaalsContact O-SG 3.35Å
199R98.6Very high98.5Very high131 Ų13166.5 Ų66.549%0.49432%0.318SS..Hα-helixtrans-60.1-33.1-179.6-85.8-179.9-79.6176.3-3.4112.9S195 E196 E197 F203S195-R199 VanDerWaalsContact O-CB 3.3Å; S195-R199 WeakPolarHBondContact O-CB 3.42Å; S195-R199 VanDerWaalsContact O-CG 3.27Å; S195-R199 WeakPolarHBondContact O-CG 3.47Å; S195-R199 PolarHBondContact O-N 2.87Å; S195-R199 PolarHBondContact O-NE 3.18Å; E196-R199 VanDerWaalsContact CD-NH2 3.27Å; E196-R199 PolarHBondContact O-N 2.84Å; E196-R199 IonicContact OE1-CZ 2.73Å; E196-R199 IonicContact OE1-NH1 3.97Å; E196-R199 PolarHBondContact OE1-NH1 3.29Å; E196-R199 IonicContact OE1-NH2 3.35Å; E196-R199 PolarHBondContact OE1-NH2 2.86Å; E197-R199 VanDerWaalsContact C-N 3.35Å; E197-R199 PolarHBondContact O-N 2.88Å; R199-F203 WeakPolarHBondContact O-CB 3.42Å; R199-F203 PolarHBondContact O-N 2.78Å
200R98.4Very high98.4Very high13 Ų1366.9 Ų66.95%0.04932%0.321CS..Hα-helixtrans-71.2-46.8178.6-72.8166.8178.8696.2112I27 F31 D119 L123 E196 E197 R198 F203 L204I27-R200 VanDerWaalsContact CG2-CD 3.43Å; F31-R200 HydrophobicContact CD1-CB 4.38Å; F31-R200 HydrophobicContact CE1-CB 3.68Å; F31-R200 HydrophobicContact CE1-CG 4.11Å; F31-R200 HydrophobicContact CE2-CB 4.29Å; F31-R200 HydrophobicContact CZ-CB 3.64Å; D119-R200 VanDerWaalsContact CG-NH2 3.35Å; D119-R200 IonicContact OD1-CZ 3.46Å; D119-R200 VanDerWaalsContact OD1-CZ 3.28Å; D119-R200 IonicContact OD1-NE 2.71Å; D119-R200 PolarHBondContact OD1-NE 3.12Å; D119-R200 IonicContact OD1-NH2 3.99Å; D119-R200 PolarHBondContact OD1-NH2 2.87Å; D119-R200 IonicContact OD2-CZ 2.61Å; D119-R200 IonicContact OD2-NE 3.94Å; D119-R200 PolarHBondContact OD2-NE 3.26Å; D119-R200 IonicContact OD2-NH2 3.86Å; D119-R200 PolarHBondContact OD2-NH2 3.27Å; L123-R200 VanDerWaalsContact CD2-NH2 3.31Å; E196-R200 VanDerWaalsContact CB-NH1 3.34Å; E196-R200 PolarHBondContact O-N 3.25Å; E196-R200 PolarHBondContact O-NH1 3.23Å; E196-R200 IonicContact OE2-CZ 3.35Å; E196-R200 IonicContact OE2-NH1 3.19Å; E196-R200 PolarHBondContact OE2-NH1 3.39Å; E196-R200 IonicContact OE2-NH2 2.6Å; E196-R200 PolarHBondContact OE2-NH2 3.01Å; E197-R200 PolarHBondContact O-N 3.02Å; R198-R200 PolarHBondContact O-N 3.1Å; R200-F203 PolarHBondContact O-N 3.22Å; R200-L204 PolarHBondContact O-N 3.26Å
201Y98.8Very high98.3Very high121 Ų12163.8 Ų63.848%0.47531%0.31SS..Hα-helixtrans-64.1-43.1174-74.3-70.4000112.2F31 E197 R198 F203 L204 V205F31-Y201 HydrophobicContact CD2-CD1 4.44Å; F31-Y201 AromaticContact CD2-CE1 3.82Å; F31-Y201 HydrophobicContact CD2-CE1 3.82Å; F31-Y201 HydrophobicContact CD2-CE2 4.14Å; F31-Y201 AromaticContact CD2-CZ 3.65Å; F31-Y201 AromaticContact CE2-CD1 3.97Å; F31-Y201 HydrophobicContact CE2-CD1 3.97Å; F31-Y201 AromaticContact CE2-CE1 3.76Å; F31-Y201 HydrophobicContact CE2-CE1 3.76Å; F31-Y201 HydrophobicContact CE2-CE2 4.44Å; F31-Y201 HydrophobicContact CE2-CG 4.39Å; E197-Y201 HydrophobicContact CG-CD2 4.15Å; E197-Y201 HydrophobicContact CG-CE2 3.92Å; E197-Y201 WeakPolarHBondContact O-CD2 3.49Å; E197-Y201 PolarHBondContact O-N 3.49Å; R198-Y201 PolarHBondContact O-N 2.95Å; Y201-F203 VanDerWaalsContact C-N 3.29Å; Y201-F203 PolarHBondContact O-N 3.45Å; Y201-L204 PolarHBondContact O-N 3.07Å; Y201-V205 WeakPolarHBondContact O-CG2 3.41Å; Y201-V205 PolarHBondContact O-N 3.32Å
202C98.7Very high98.3Very high61 Ų6161.1 Ų61.141%0.41231%0.309SS..Hα-helixtrans-59.3-41.3175.4-74.40000111.8R198 V205 D206R198-C202 WeakPolarHBondContact O-CB 3.38Å; R198-C202 PolarHBondContact O-N 3.08Å; R198-C202 PolarHBondContact O-SG 3.04Å; R198-C202 VanDerWaalsContact O-SG 3.35Å; C202-V205 PolarHBondContact O-N 3.12Å; C202-D206 VanDerWaalsContact O-CB 3.27Å; C202-D206 WeakPolarHBondContact O-CB 3.48Å; C202-D206 PolarHBondContact O-N 3.41Å
203F98.6Very high98.2Very high35 Ų3564.7 Ų64.715%0.15432%0.321CS..Hα-helixtrans-63.5-45.1176.2-174.8-104.7000112.1E111 L112 K115 R199 R200 Y201 V205 D206 R207E111-F203 HydrophobicContact CB-CZ 4.09Å; L112-F203 HydrophobicContact CD2-CD1 3.85Å; L112-F203 HydrophobicContact CD2-CE1 3.84Å; K115-F203 HydrophobicContact CB-CE1 4.16Å; K115-F203 HydrophobicContact CD-CB 4.47Å; K115-F203 HydrophobicContact CD-CD1 3.29Å; K115-F203 HydrophobicContact CD-CD2 4.24Å; K115-F203 HydrophobicContact CD-CE1 3.32Å; K115-F203 HydrophobicContact CD-CE2 4.27Å; K115-F203 HydrophobicContact CD-CG 3.75Å; K115-F203 HydrophobicContact CD-CZ 3.82Å; K115-F203 HydrophobicContact CG-CE1 4.39Å; R199-F203 WeakPolarHBondContact O-CB 3.42Å; R199-F203 PolarHBondContact O-N 2.78Å; R200-F203 PolarHBondContact O-N 3.22Å; Y201-F203 VanDerWaalsContact C-N 3.29Å; Y201-F203 PolarHBondContact O-N 3.45Å; F203-V205 VanDerWaalsContact C-N 3.34Å; F203-V205 PolarHBondContact O-N 2.95Å; F203-D206 PolarHBondContact O-N 3.05Å; F203-R207 HydrophobicContact CD1-CG 4.18Å; F203-R207 HydrophobicContact CE1-CG 3.89Å; F203-R207 HydrophobicContact CE2-CG 4.27Å; F203-R207 HydrophobicContact CZ-CG 3.96Å; F203-R207 VanDerWaalsContact O-CG 3.3Å; F203-R207 WeakPolarHBondContact O-CG 3.18Å; F203-R207 PolarHBondContact O-N 3.41Å
204L98.6Very high98Very high38 Ų3867.3 Ų67.320%0.19934%0.335CS..Hα-helixtrans-57.8-46.7175.9175.661.6000111.7L35 F38 L112 R200 Y201 R207 Q208L35-L204 HydrophobicContact CD1-CD1 4.36Å; F38-L204 HydrophobicContact CD1-CD1 4.46Å; F38-L204 HydrophobicContact CE1-CD1 4.12Å; L112-L204 HydrophobicContact CD1-CD1 3.94Å; L112-L204 HydrophobicContact CD2-CD1 4.19Å; R200-L204 PolarHBondContact O-N 3.26Å; Y201-L204 PolarHBondContact O-N 3.07Å; L204-R207 PolarHBondContact O-N 2.91Å; L204-Q208 WeakPolarHBondContact O-CG 3.49Å; L204-Q208 PolarHBondContact O-N 2.94Å
205V98.8Very high97.9Very high90 Ų9065.8 Ų65.855%0.54533%0.329SS..Hα-helixtrans-62.8-45.6178.2171.80000111.1Y201 C202 F203 R207 Q208 C209Y201-V205 WeakPolarHBondContact O-CG2 3.41Å; Y201-V205 PolarHBondContact O-N 3.32Å; C202-V205 PolarHBondContact O-N 3.12Å; F203-V205 VanDerWaalsContact C-N 3.34Å; F203-V205 PolarHBondContact O-N 2.95Å; V205-R207 PolarHBondContact O-N 3.04Å; V205-Q208 WeakPolarHBondContact O-CB 3.38Å; V205-Q208 PolarHBondContact O-N 3.45Å; V205-C209 PolarHBondContact O-N 3.42Å; V205-C209 PolarHBondContact O-SG 3.43Å; V205-C209 VanDerWaalsContact O-SG 3.35Å
206D98.6Very high97.9Very high80 Ų8066.1 Ų66.143%0.42833%0.332SS..Hα-helixtrans-58.5-45.9178.4175.956.3000111.9C202 F203 Q208 C209 A210C202-D206 VanDerWaalsContact O-CB 3.27Å; C202-D206 WeakPolarHBondContact O-CB 3.48Å; C202-D206 PolarHBondContact O-N 3.41Å; F203-D206 PolarHBondContact O-N 3.05Å; D206-Q208 PolarHBondContact O-N 3.22Å; D206-C209 WeakPolarHBondContact O-CB 3.29Å; D206-C209 PolarHBondContact O-N 3.33Å; D206-A210 PolarHBondContact O-N 2.97Å; D206-A210 VanDerWaalsContact O-N 3.08Å
207R98.3Very high97.8Very high54 Ų5467.4 Ų67.420%0.20435%0.345CS..Hα-helixtrans-62.8-40.5175.4-64.6-54.698.4-173-0.4112.5E107 L108 F203 L204 V205 A210 V211E107-R207 WeakPolarHBondContact O-CD 3.47Å; L108-R207 HydrophobicContact CG-CB 4.43Å; F203-R207 HydrophobicContact CD1-CG 4.18Å; F203-R207 HydrophobicContact CE1-CG 3.89Å; F203-R207 HydrophobicContact CE2-CG 4.27Å; F203-R207 HydrophobicContact CZ-CG 3.96Å; F203-R207 VanDerWaalsContact O-CG 3.3Å; F203-R207 WeakPolarHBondContact O-CG 3.18Å; F203-R207 PolarHBondContact O-N 3.41Å; L204-R207 PolarHBondContact O-N 2.91Å; V205-R207 PolarHBondContact O-N 3.04Å; R207-A210 WeakPolarHBondContact O-CB 3.49Å; R207-A210 PolarHBondContact O-N 3.32Å; R207-V211 PolarHBondContact O-N 2.93Å
208Q97.8Very high97.8Very high72 Ų7267.3 Ų67.334%0.33634%0.342SS..Hα-helixtrans-64.3-39174.2-78-70.9-1.400112.6L108 L204 V205 D206 A210 V211 A212L108-Q208 HydrophobicContact CD1-CG 4.19Å; L204-Q208 WeakPolarHBondContact O-CG 3.49Å; L204-Q208 PolarHBondContact O-N 2.94Å; V205-Q208 WeakPolarHBondContact O-CB 3.38Å; V205-Q208 PolarHBondContact O-N 3.45Å; D206-Q208 PolarHBondContact O-N 3.22Å; Q208-A210 VanDerWaalsContact C-N 3.31Å; Q208-A210 PolarHBondContact O-N 2.92Å; Q208-V211 PolarHBondContact O-N 3.23Å; Q208-A212 WeakPolarHBondContact O-CB 3.43Å; Q208-A212 PolarHBondContact O-N 2.9Å
209C98.1Very high97.8Very high60 Ų6064.4 Ų64.441%0.40534%0.336SS..Hα-helixtrans-63.4-36.4175.4-730000112.2V205 D206 A212 K213V205-C209 PolarHBondContact O-N 3.42Å; V205-C209 PolarHBondContact O-SG 3.43Å; V205-C209 VanDerWaalsContact O-SG 3.35Å; D206-C209 WeakPolarHBondContact O-CB 3.29Å; D206-C209 PolarHBondContact O-N 3.33Å; C209-A212 PolarHBondContact O-N 3.15Å; C209-K213 WeakPolarHBondContact O-CG 3.31Å; C209-K213 PolarHBondContact O-N 3.33Å
210A96.4Very high97.8Very high15 Ų1562.6 Ų62.612%0.12434%0.336CS..Hα-helixtrans-61.2-48.8174.600000111.5D206 R207 Q208 A212 K213 N214D206-A210 PolarHBondContact O-N 2.97Å; D206-A210 VanDerWaalsContact O-N 3.08Å; R207-A210 WeakPolarHBondContact O-CB 3.49Å; R207-A210 PolarHBondContact O-N 3.32Å; Q208-A210 VanDerWaalsContact C-N 3.31Å; Q208-A210 PolarHBondContact O-N 2.92Å; A210-A212 PolarHBondContact O-N 3.13Å; A210-K213 PolarHBondContact O-N 3.14Å; A210-N214 PolarHBondContact O-N 3.3Å; A210-N214 PolarHBondContact O-ND2 3.37Å
211V96.9Very high97.8Very high11 Ų1164.8 Ų64.87%0.06735%0.346CS..Hα-helixtrans-60-46.4175.1173.40000111.4F104 L108 R207 Q208 K213 N214 S215F104-V211 HydrophobicContact CB-CG2 4.45Å; F104-V211 HydrophobicContact CD2-CG1 3.78Å; F104-V211 HydrophobicContact CD2-CG2 3.95Å; L108-V211 HydrophobicContact CB-CG2 3.81Å; L108-V211 HydrophobicContact CD1-CG2 3.77Å; L108-V211 HydrophobicContact CG-CG2 4.44Å; R207-V211 PolarHBondContact O-N 2.93Å; Q208-V211 PolarHBondContact O-N 3.23Å; V211-K213 VanDerWaalsContact C-N 3.28Å; V211-K213 PolarHBondContact O-N 3.01Å; V211-N214 PolarHBondContact O-N 3.16Å; V211-S215 PolarHBondContact O-N 3.35Å; V211-S215 PolarHBondContact O-OG 2.96Å
212A97.6Very high97.8Very high56 Ų5659.5 Ų59.546%0.46333%0.328SS..Hα-helixtrans-61.5-34.4-178.200000113Q208 C209 A210 S215 S216Q208-A212 WeakPolarHBondContact O-CB 3.43Å; Q208-A212 PolarHBondContact O-N 2.9Å; C209-A212 PolarHBondContact O-N 3.15Å; A210-A212 PolarHBondContact O-N 3.13Å; A212-S215 PolarHBondContact O-N 3.31Å; A212-S216 PolarHBondContact O-N 3.1Å
213K96.8Very high97.8Very high154 Ų15463.5 Ų63.567%0.6734%0.339SS*.Hα-helixtrans-62-44.1173.2-74.1170.4-177.9177.50111.3C209 A210 V211 S216 A217C209-K213 WeakPolarHBondContact O-CG 3.31Å; C209-K213 PolarHBondContact O-N 3.33Å; A210-K213 PolarHBondContact O-N 3.14Å; V211-K213 VanDerWaalsContact C-N 3.28Å; V211-K213 PolarHBondContact O-N 3.01Å; K213-S216 WeakPolarHBondContact O-CB 3.49Å; K213-S216 PolarHBondContact O-N 3.41Å; K213-A217 PolarHBondContact O-N 3.46Å
214N95.2Very high97.8Very high55 Ų5566.6 Ų66.629%0.29435%0.354SS..Hα-helixtrans-68.7-37.8177.1-68.5-41.4000112.2M100 S103 A210 V211 S216 A217 Y218M100-N214 HydrophobicContact CB-CB 4.3Å; M100-N214 HydrophobicContact CG-CB 4.17Å; S103-N214 WeakPolarHBondContact CB-ND2 3.42Å; S103-N214 PolarHBondContact OG-ND2 3.14Å; A210-N214 PolarHBondContact O-N 3.3Å; A210-N214 PolarHBondContact O-ND2 3.37Å; V211-N214 PolarHBondContact O-N 3.16Å; N214-S216 VanDerWaalsContact C-N 3.29Å; N214-S216 PolarHBondContact O-N 3.49Å; N214-A217 PolarHBondContact O-N 3.33Å; N214-Y218 PolarHBondContact O-N 3.09Å
215S96.1Very high97.8Very high30 Ų3065.7 Ų65.721%0.2135%0.349CS..Hα-helixtrans-60.2-40.1170.9-55.70000111.9M100 V211 A212 Y218 H219M100-S215 PolarHBondContact SD-OG 2.83Å; V211-S215 PolarHBondContact O-N 3.35Å; V211-S215 PolarHBondContact O-OG 2.96Å; A212-S215 PolarHBondContact O-N 3.31Å; S215-Y218 PolarHBondContact O-N 3.43Å; S215-H219 PolarHBondContact O-CD2 2.9Å; S215-H219 PolarHBondContact O-N 3.05Å
216S98.1Very high97.8Very high60 Ų6063.9 Ų63.942%0.4234%0.336SS..Hα-helixtrans-62.7-41.2174.8-174.50000112.1A212 K213 N214 H219 N220A212-S216 PolarHBondContact O-N 3.1Å; K213-S216 WeakPolarHBondContact O-CB 3.49Å; K213-S216 PolarHBondContact O-N 3.41Å; N214-S216 VanDerWaalsContact C-N 3.29Å; N214-S216 PolarHBondContact O-N 3.49Å; S216-H219 PolarHBondContact O-N 2.99Å; S216-N220 VanDerWaalsContact O-CB 3.29Å; S216-N220 WeakPolarHBondContact O-CB 3.5Å; S216-N220 PolarHBondContact O-N 3.11Å; S216-N220 PolarHBondContact O-ND2 2.91Å; S216-N220 PolarHBondContact OG-ND2 2.8Å
217A97.3Very high97.8Very high41 Ų4163.7 Ų63.734%0.33934%0.341SS..Hα-helixtrans-62.2-47176.900000111.3K213 N214 H219 N220 K221K213-A217 PolarHBondContact O-N 3.46Å; N214-A217 PolarHBondContact O-N 3.33Å; A217-H219 PolarHBondContact O-N 3.45Å; A217-N220 PolarHBondContact O-N 3.33Å; A217-K221 PolarHBondContact O-N 2.94Å
218Y98.2Very high97.8Very high57 Ų5766.7 Ų66.722%0.22436%0.357CS..Hα-helixtrans-54.9-51.7174.2160.2-109.9000112.7I93 Q96 L97 N214 S215 N220 K221 G222I93-Y218 HydrophobicContact CG2-CD2 4.3Å; I93-Y218 HydrophobicContact CG2-CE2 3.55Å; Q96-Y218 HydrophobicContact CB-CD2 4.14Å; L97-Y218 HydrophobicContact CB-CD2 3.93Å; L97-Y218 HydrophobicContact CB-CE2 3.75Å; L97-Y218 HydrophobicContact CD1-CE1 4.48Å; L97-Y218 HydrophobicContact CD1-CE2 4.4Å; N214-Y218 PolarHBondContact O-N 3.09Å; S215-Y218 PolarHBondContact O-N 3.43Å; Y218-N220 PolarHBondContact O-N 3.48Å; Y218-K221 PolarHBondContact O-N 2.96Å; Y218-G222 PolarHBondContact O-N 2.87Å; Y218-G222 VanDerWaalsContact O-N 3.09Å
219H98.4Very high97.8Very high119 Ų11966.6 Ų66.655%0.55136%0.356SS*.Hα-helixtrans-64.5-40.3179.8-71-52.1000112.6S215 S216 A217 G222 K223S215-H219 PolarHBondContact O-CD2 2.9Å; S215-H219 PolarHBondContact O-N 3.05Å; S216-H219 PolarHBondContact O-N 2.99Å; A217-H219 PolarHBondContact O-N 3.45Å; H219-G222 PolarHBondContact O-N 2.87Å; H219-K223 WeakPolarHBondContact O-CB 3.45Å; H219-K223 PolarHBondContact O-N 2.89Å
220N98.4Very high97.8Very high92 Ų9267 Ų6749%0.49235%0.353SS..Hα-helixtrans-63.4-42.4177.2-75.4-22.8000111.3S216 A217 Y218 G222 K223 E224S216-N220 VanDerWaalsContact O-CB 3.29Å; S216-N220 WeakPolarHBondContact O-CB 3.5Å; S216-N220 PolarHBondContact O-N 3.11Å; S216-N220 PolarHBondContact O-ND2 2.91Å; S216-N220 PolarHBondContact OG-ND2 2.8Å; A217-N220 PolarHBondContact O-N 3.33Å; Y218-N220 PolarHBondContact O-N 3.48Å; N220-G222 PolarHBondContact O-N 3.45Å; N220-K223 PolarHBondContact O-N 2.85Å; N220-E224 WeakPolarHBondContact O-CB 3.44Å; N220-E224 PolarHBondContact O-N 2.86Å
221K98.3Very high97.9Very high60 Ų6069.8 Ų69.826%0.26137%0.37SS..Hα-helixtrans-60.3-46.1176.2-172.467.1170.8173.20111.7Q96 A217 Y218 E224 L225Q96-K221 HydrophobicContact CG-CB 4Å; Q96-K221 HydrophobicContact CG-CG 3.84Å; A217-K221 PolarHBondContact O-N 2.94Å; Y218-K221 PolarHBondContact O-N 2.96Å; K221-E224 PolarHBondContact O-N 3.28Å; K221-L225 HydrophobicContact CD-CD1 4.27Å; K221-L225 HydrophobicContact CD-CG 4.36Å; K221-L225 HydrophobicContact CG-CD1 4.09Å; K221-L225 WeakPolarHBondContact O-CG 3.26Å; K221-L225 PolarHBondContact O-N 2.83Å
222G98.5Very high97.9Very high9 Ų973.1 Ų73.19%0.09339%0.39CS..Hα-helixtrans-60.9-46.6176.900000112.5Y218 H219 N220 E224 L226Y218-G222 PolarHBondContact O-N 2.87Å; Y218-G222 VanDerWaalsContact O-N 3.09Å; H219-G222 PolarHBondContact O-N 2.87Å; N220-G222 PolarHBondContact O-N 3.45Å; G222-E224 PolarHBondContact O-N 2.96Å; G222-L226 VanDerWaalsContact O-CB 3.25Å; G222-L226 WeakPolarHBondContact O-CB 3.5Å; G222-L226 WeakPolarHBondContact O-CD1 3.5Å; G222-L226 VanDerWaalsContact O-CG 3.26Å; G222-L226 WeakPolarHBondContact O-CG 3.28Å; G222-L226 PolarHBondContact O-N 3.35Å
223K98.6Very high98Very high146 Ų14671.5 Ų71.564%0.63537%0.372SS*.Hα-helixtrans-57.9-49.1175.7179.1-176.4174.8-176.70111.5H219 N220 S227H219-K223 WeakPolarHBondContact O-CB 3.45Å; H219-K223 PolarHBondContact O-N 2.89Å; N220-K223 PolarHBondContact O-N 2.85Å; K223-S227 WeakPolarHBondContact O-CB 3.36Å; K223-S227 PolarHBondContact O-N 2.78Å; K223-S227 PolarHBondContact O-OG 3.16Å
224E98.5Very high98Very high100 Ų10070.2 Ų70.247%0.46737%0.368SS..Hα-helixtrans-59.4-55.2-177.7-176.5-171.5173.700111.4N220 K221 G222 Q228N220-E224 WeakPolarHBondContact O-CB 3.44Å; N220-E224 PolarHBondContact O-N 2.86Å; K221-E224 PolarHBondContact O-N 3.28Å; G222-E224 PolarHBondContact O-N 2.96Å; E224-Q228 VanDerWaalsContact O-CG 3.29Å; E224-Q228 WeakPolarHBondContact O-CG 3.5Å; E224-Q228 PolarHBondContact O-N 3.44Å
225L98.6Very high98.1Very high18 Ų1873.9 Ų73.99%0.09438%0.384CS..Hα-helixtrans-63.3-47.1-176.9-68.8176.8000112.1V89 Q92 I93 K221 Q228 K229V89-L225 HydrophobicContact CG1-CB 3.88Å; V89-L225 HydrophobicContact CG1-CD1 4.33Å; Q92-L225 HydrophobicContact CB-CD1 3.73Å; I93-L225 HydrophobicContact CG1-CD1 4.05Å; K221-L225 HydrophobicContact CD-CD1 4.27Å; K221-L225 HydrophobicContact CD-CG 4.36Å; K221-L225 HydrophobicContact CG-CD1 4.09Å; K221-L225 WeakPolarHBondContact O-CG 3.26Å; K221-L225 PolarHBondContact O-N 2.83Å; L225-Q228 PolarHBondContact O-N 3.43Å; L225-K229 WeakPolarHBondContact O-CB 3.31Å; L225-K229 WeakPolarHBondContact O-CG 3.34Å; L225-K229 PolarHBondContact O-N 3.23Å; L225-K229 VanDerWaalsContact O-N 3.12Å
226L98.7Very high98Very high53 Ų5374.8 Ų74.828%0.27739%0.388SS..Hα-helixtrans-69.8-40.3-176.2-68.2171.1000112V89 I93 G222 Q228 K229 I230 W233V89-L226 HydrophobicContact CG1-CD2 3.82Å; V89-L226 HydrophobicContact CG1-CG 4.35Å; I93-L226 HydrophobicContact CD1-CD1 4.09Å; I93-L226 HydrophobicContact CD1-CD2 4.46Å; I93-L226 HydrophobicContact CD1-CG 4.05Å; G222-L226 VanDerWaalsContact O-CB 3.25Å; G222-L226 WeakPolarHBondContact O-CB 3.5Å; G222-L226 WeakPolarHBondContact O-CD1 3.5Å; G222-L226 VanDerWaalsContact O-CG 3.26Å; G222-L226 WeakPolarHBondContact O-CG 3.28Å; G222-L226 PolarHBondContact O-N 3.35Å; L226-Q228 PolarHBondContact O-N 3.46Å; L226-K229 PolarHBondContact O-N 3.45Å; L226-I230 HydrophobicContact CB-CD1 3.94Å; L226-I230 HydrophobicContact CB-CG1 4.47Å; L226-I230 HydrophobicContact CD2-CD1 4.44Å; L226-I230 WeakPolarHBondContact O-CB 3.17Å; L226-I230 VanDerWaalsContact O-CG1 3.25Å; L226-I230 WeakPolarHBondContact O-CG1 3.37Å; L226-I230 PolarHBondContact O-N 3.28Å; L226-W233 HydrophobicContact CD2-CH2 4.48Å; L226-W233 HydrophobicContact CD2-CZ3 4.25Å
227S98.4Very high97.8Very high76 Ų7675.3 Ų75.353%0.53139%0.39SS..Hα-helixtrans-63.1-33.5179-570000111.9K223 P231K223-S227 WeakPolarHBondContact O-CB 3.36Å; K223-S227 PolarHBondContact O-N 2.78Å; K223-S227 PolarHBondContact O-OG 3.16Å; S227-P231 WeakPolarHBondContact O-CD 3.49Å
228Q98.1Very high97.7Very high117 Ų11776.1 Ų76.155%0.54740%0.397SS..Hα-helixtrans-75.1-37.6176.9-69.4174.217.500112.4E224 L225 L226E224-Q228 VanDerWaalsContact O-CG 3.29Å; E224-Q228 WeakPolarHBondContact O-CG 3.5Å; E224-Q228 PolarHBondContact O-N 3.44Å; L225-Q228 PolarHBondContact O-N 3.43Å; L226-Q228 PolarHBondContact O-N 3.46Å
229K98.4Very high97.5Very high70 Ų7078.9 Ų78.930%0.30441%0.412SS..Hα-helixtrans-94.2-35.1-168.5-70.2-69.5-169.6174.50115.1V89 L225 L226 V232 W233V89-K229 HydrophobicContact CG2-CG 4.02Å; L225-K229 WeakPolarHBondContact O-CB 3.31Å; L225-K229 WeakPolarHBondContact O-CG 3.34Å; L225-K229 PolarHBondContact O-N 3.23Å; L225-K229 VanDerWaalsContact O-N 3.12Å; L226-K229 PolarHBondContact O-N 3.45Å; K229-V232 PolarHBondContact O-N 2.91Å; K229-V232 VanDerWaalsContact O-N 3.12Å; K229-W233 HydrophobicContact CB-CD2 4.09Å; K229-W233 HydrophobicContact CB-CE3 4.31Å; K229-W233 HydrophobicContact CB-CH2 3.73Å; K229-W233 HydrophobicContact CB-CZ2 3.47Å; K229-W233 VanDerWaalsContact CB-CZ2 3.47Å; K229-W233 HydrophobicContact CB-CZ3 4.15Å; K229-W233 HydrophobicContact CD-CZ2 4.42Å; K229-W233 HydrophobicContact CG-CZ2 4.03Å; K229-W233 PolarHBondContact O-N 3.4Å
230I98.4Very high97.2Very high69 Ų6979 Ų7935%0.35442%0.423SS..Hα-helixtrans-53.8-46.5-176.9-73.5169.8000113L226 V232 W233 Q234L226-I230 HydrophobicContact CB-CD1 3.94Å; L226-I230 HydrophobicContact CB-CG1 4.47Å; L226-I230 HydrophobicContact CD2-CD1 4.44Å; L226-I230 WeakPolarHBondContact O-CB 3.17Å; L226-I230 VanDerWaalsContact O-CG1 3.25Å; L226-I230 WeakPolarHBondContact O-CG1 3.37Å; L226-I230 PolarHBondContact O-N 3.28Å; I230-V232 VanDerWaalsContact C-N 3.28Å; I230-V232 PolarHBondContact O-N 3.1Å; I230-W233 HydrophobicContact CG1-CE3 4.12Å; I230-W233 HydrophobicContact CG1-CZ3 4.18Å; I230-W233 PolarHBondContact O-N 3.46Å; I230-Q234 HydrophobicContact CG2-CG 4.21Å; I230-Q234 WeakPolarHBondContact O-CG 3.43Å; I230-Q234 PolarHBondContact O-N 3.29Å
231P98.4Very high96.9Very high73 Ų7380.9 Ų80.947%0.47444%0.438SS..Hα-helixtrans-60.8-38.5-179.3-24.235000112.7S227 Q234 Q235S227-P231 WeakPolarHBondContact O-CD 3.49Å; P231-Q234 PolarHBondContact O-N 3.49Å; P231-Q235 WeakPolarHBondContact O-CB 3.23Å; P231-Q235 PolarHBondContact O-N 2.93Å
232V97.8Very high96.6Very high81 Ų8184.6 Ų84.649%0.49146%0.455SS..Hα-helixtrans-67.2-45.7178.8-177.70000110.4K229 I230 Q234 Q235 V236K229-V232 PolarHBondContact O-N 2.91Å; K229-V232 VanDerWaalsContact O-N 3.12Å; I230-V232 VanDerWaalsContact C-N 3.28Å; I230-V232 PolarHBondContact O-N 3.1Å; V232-Q234 VanDerWaalsContact C-N 3.34Å; V232-Q234 PolarHBondContact O-N 3.32Å; V232-Q235 PolarHBondContact O-N 3.16Å; V232-V236 WeakPolarHBondContact O-CG2 3.15Å; V232-V236 PolarHBondContact O-N 3.4Å
233W98.1Very high96.1Very high21 Ų2189 Ų898%0.0848%0.476CS..Hα-helixtrans-62.1-41.6177.7-59.6-24.8000112.2V82 Q85 M86 V89 L226 K229 I230 Q235 V236 C237V82-W233 HydrophobicContact CG1-CB 3.98Å; V82-W233 HydrophobicContact CG1-CG 3.87Å; Q85-W233 HydrophobicContact CB-CZ2 4.28Å; M86-W233 HydrophobicContact CB-CH2 4.22Å; M86-W233 HydrophobicContact CB-CZ2 4.21Å; M86-W233 HydrophobicContact CE-CE3 4.46Å; M86-W233 HydrophobicContact CG-CD2 3.68Å; M86-W233 HydrophobicContact CG-CE3 3.76Å; M86-W233 HydrophobicContact CG-CG 4.38Å; M86-W233 HydrophobicContact CG-CH2 3.73Å; M86-W233 HydrophobicContact CG-CZ2 3.63Å; M86-W233 HydrophobicContact CG-CZ3 3.8Å; M86-W233 HydrophobicContact SD-CD2 4.48Å; M86-W233 HydrophobicContact SD-CE3 4.47Å; V89-W233 HydrophobicContact CB-CH2 3.99Å; V89-W233 HydrophobicContact CB-CZ2 4.35Å; V89-W233 HydrophobicContact CG1-CH2 4.16Å; V89-W233 HydrophobicContact CG2-CH2 3.92Å; V89-W233 HydrophobicContact CG2-CZ2 3.89Å; L226-W233 HydrophobicContact CD2-CH2 4.48Å; L226-W233 HydrophobicContact CD2-CZ3 4.25Å; K229-W233 HydrophobicContact CB-CD2 4.09Å; K229-W233 HydrophobicContact CB-CE3 4.31Å; K229-W233 HydrophobicContact CB-CH2 3.73Å; K229-W233 HydrophobicContact CB-CZ2 3.47Å; K229-W233 VanDerWaalsContact CB-CZ2 3.47Å; K229-W233 HydrophobicContact CB-CZ3 4.15Å; K229-W233 HydrophobicContact CD-CZ2 4.42Å; K229-W233 HydrophobicContact CG-CZ2 4.03Å; K229-W233 PolarHBondContact O-N 3.4Å; I230-W233 HydrophobicContact CG1-CE3 4.12Å; I230-W233 HydrophobicContact CG1-CZ3 4.18Å; I230-W233 PolarHBondContact O-N 3.46Å; W233-Q235 VanDerWaalsContact C-N 3.32Å; W233-Q235 PolarHBondContact O-N 3.45Å; W233-V236 PolarHBondContact O-N 3.38Å; W233-C237 PolarHBondContact O-N 3.34Å; W233-C237 PolarHBondContact O-SG 3.4Å; W233-C237 VanDerWaalsContact O-SG 3.4Å
234Q97.9Very high95.7Very high128 Ų12884.3 Ų84.360%0.59846%0.46SS*.Hα-helixtrans-62.1-40.1176-74175.8-28.700112.1I230 P231 V232 V236 C237 A238I230-Q234 HydrophobicContact CG2-CG 4.21Å; I230-Q234 WeakPolarHBondContact O-CG 3.43Å; I230-Q234 PolarHBondContact O-N 3.29Å; P231-Q234 PolarHBondContact O-N 3.49Å; V232-Q234 VanDerWaalsContact C-N 3.34Å; V232-Q234 PolarHBondContact O-N 3.32Å; Q234-V236 PolarHBondContact O-N 3.27Å; Q234-C237 PolarHBondContact O-N 3.05Å; Q234-A238 PolarHBondContact O-N 3.48Å; Q234-A238 VanDerWaalsContact O-N 3.16Å
235Q96.8Very high95.3Very high132 Ų13285.6 Ų85.662%0.61747%0.47SS*.Hα-helixtrans-63.4-40.4179.6-17560.746.300112.4P231 V232 W233 C237 A238P231-Q235 WeakPolarHBondContact O-CB 3.23Å; P231-Q235 PolarHBondContact O-N 2.93Å; V232-Q235 PolarHBondContact O-N 3.16Å; W233-Q235 VanDerWaalsContact C-N 3.32Å; W233-Q235 PolarHBondContact O-N 3.45Å; Q235-C237 VanDerWaalsContact C-N 3.3Å; Q235-C237 PolarHBondContact O-N 3.19Å; Q235-A238 VanDerWaalsContact O-CB 3.31Å; Q235-A238 WeakPolarHBondContact O-CB 3.47Å; Q235-A238 PolarHBondContact O-N 3.04Å
236V94.6Very high94.8Very high49 Ų4993.3 Ų93.330%0.29750%0.498SS..Hα-helixtrans-66.3-35.6178.5-176.40000110.9D78 L79 V82 V232 W233 Q234 A238D78-V236 HydrophobicContact CB-CG1 4.32Å; L79-V236 HydrophobicContact CD2-CB 4.47Å; L79-V236 HydrophobicContact CD2-CG1 3.67Å; L79-V236 HydrophobicContact CG-CG1 4.45Å; V82-V236 HydrophobicContact CG2-CB 3.99Å; V82-V236 HydrophobicContact CG2-CG1 4Å; V82-V236 HydrophobicContact CG2-CG2 3.94Å; V232-V236 WeakPolarHBondContact O-CG2 3.15Å; V232-V236 PolarHBondContact O-N 3.4Å; W233-V236 PolarHBondContact O-N 3.38Å; Q234-V236 PolarHBondContact O-N 3.27Å; V236-A238 VanDerWaalsContact C-N 3.3Å; V236-A238 PolarHBondContact O-N 3.04Å
237C93.9Very high94.4Very high70 Ų7092.6 Ų92.647%0.47350%0.5SS..THydrogen-bonded Turntrans-82.8-0.5178.6-59.20000114.3W233 Q234 Q235 E239W233-C237 PolarHBondContact O-N 3.34Å; W233-C237 PolarHBondContact O-SG 3.4Å; W233-C237 VanDerWaalsContact O-SG 3.4Å; Q234-C237 PolarHBondContact O-N 3.05Å; Q235-C237 VanDerWaalsContact C-N 3.3Å; Q235-C237 PolarHBondContact O-N 3.19Å; C237-E239 VanDerWaalsContact C-N 3.32Å; C237-E239 PolarHBondContact O-N 3.11Å
238A95.4Very high94Very high59 Ų5993 Ų9349%0.48849%0.494SS..THydrogen-bonded Turntrans-72.1-22-170.700000114.1Q234 Q235 V236 P240Q234-A238 PolarHBondContact O-N 3.48Å; Q234-A238 VanDerWaalsContact O-N 3.16Å; Q235-A238 VanDerWaalsContact O-CB 3.31Å; Q235-A238 WeakPolarHBondContact O-CB 3.47Å; Q235-A238 PolarHBondContact O-N 3.04Å; V236-A238 VanDerWaalsContact C-N 3.3Å; V236-A238 PolarHBondContact O-N 3.04Å; A238-P240 WeakPolarHBondContact O-CD 3.23Å
239E92.5Very high93.7Very high115 Ų11593.5 Ų93.554%0.53750%0.495SS..  trans-122.276.6-179-63.6178-168.400111.4C237 T241 K242C237-E239 VanDerWaalsContact C-N 3.32Å; C237-E239 PolarHBondContact O-N 3.11Å; E239-T241 PolarHBondContact O-N 3.42Å; E239-K242 HydrophobicContact CB-CB 3.88Å; E239-K242 VanDerWaalsContact O-CB 3.29Å; E239-K242 WeakPolarHBondContact O-CB 3.31Å; E239-K242 PolarHBondContact O-N 2.92Å; E239-K242 WeakPolarHBondContact OE2-CD 3.34Å
240P93.3Very high93.4Very high120 Ų12094.2 Ų94.278%0.77950%0.501SS*.THydrogen-bonded Turntrans-63.9-16.6-174-22.533.8000115A238A238-P240 WeakPolarHBondContact O-CD 3.23Å
241T92.3Very high92.9Very high132 Ų13293.4 Ų93.481%0.8151%0.506SS*.THydrogen-bonded Turntrans-101.32.2179.9560000112.9E239 L243E239-T241 PolarHBondContact O-N 3.42Å; T241-L243 PolarHBondContact O-N 3.22Å
242K90.6Very high92.6Very high139 Ų13996.3 Ų96.360%0.60451%0.513SS*.PPolyproline II helixtrans-64.5125.8177.8-174.6-177.8-175.2174.40109.8E239E239-K242 HydrophobicContact CB-CB 3.88Å; E239-K242 VanDerWaalsContact O-CB 3.29Å; E239-K242 WeakPolarHBondContact O-CB 3.31Å; E239-K242 PolarHBondContact O-N 2.92Å; E239-K242 WeakPolarHBondContact OE2-CD 3.34Å
243L88.3Confident92.2Very high102 Ų10298.8 Ų98.853%0.53452%0.519SS..PPolyproline II helixtrans-94.7143.3175-64.7178000110.1T241 M248T241-L243 PolarHBondContact O-N 3.22Å; L243-M248 HydrophobicContact CB-CG 3.83Å
244P90.4Very high91.4Very high47 Ų47105.8 Ų105.831%0.30556%0.555SS.*PPolyproline II helixtrans-61.2146.3170.6-21.331.6000111.6Q74 R246 A247 M248Q74-P244 WeakPolarHBondContact O-CG 3.31Å; P244-R246 PolarHBondContact O-N 2.93Å; P244-R246 VanDerWaalsContact O-N 3.11Å; P244-A247 WeakPolarHBondContact O-CA 3.43Å; P244-A247 WeakPolarHBondContact O-CB 3.31Å; P244-A247 PolarHBondContact O-N 3.16Å; P244-M248 PolarHBondContact O-N 3.48Å; P244-M248 VanDerWaalsContact O-N 3.09Å
245D89.9Confident90.4Very high126 Ų126104.3 Ų104.367%0.67456%0.558SS**Hα-helixtrans-54.4-37.6-177.6-62.3-32.1000112.6A247 M248 F249D245-A247 VanDerWaalsContact C-N 3.35Å; D245-A247 PolarHBondContact O-N 3.4Å; D245-M248 PolarHBondContact O-N 3.46Å; D245-F249 WeakPolarHBondContact O-CB 3.4Å; D245-F249 PolarHBondContact O-N 3.23Å
246R89.7Confident88.8Confident180 Ų180100.5 Ų100.568%0.67955%0.554SS**Hα-helixtrans-61.6-40.9175.7-173.9-179.5-179.2-162.11.4112.5P244 F249 L250P244-R246 PolarHBondContact O-N 2.93Å; P244-R246 VanDerWaalsContact O-N 3.11Å; R246-F249 PolarHBondContact O-N 3.4Å; R246-L250 HydrophobicContact CG-CD1 4.31Å; R246-L250 WeakPolarHBondContact O-CG 3.28Å; R246-L250 PolarHBondContact O-N 3.04Å
247A90.1Very high86.7Confident39 Ų39104.1 Ų104.132%0.32258%0.576SS.*Hα-helixtrans-68.9-40.4178.600000110.8P244 D245 L250 A251P244-A247 WeakPolarHBondContact O-CA 3.43Å; P244-A247 WeakPolarHBondContact O-CB 3.31Å; P244-A247 PolarHBondContact O-N 3.16Å; D245-A247 VanDerWaalsContact C-N 3.35Å; D245-A247 PolarHBondContact O-N 3.4Å; A247-L250 PolarHBondContact O-N 3.41Å; A247-A251 WeakPolarHBondContact O-CB 3.4Å; A247-A251 PolarHBondContact O-N 3.01Å
248M89.5Confident84.7Confident83 Ų83106 Ų10641%0.40960%0.596SS.*Hα-helixtrans-62.2-43.9173.9-65.3-153.3-62.900112L243 P244 D245 A251 Q252L243-M248 HydrophobicContact CB-CG 3.83Å; P244-M248 PolarHBondContact O-N 3.48Å; P244-M248 VanDerWaalsContact O-N 3.09Å; D245-M248 PolarHBondContact O-N 3.46Å; M248-A251 PolarHBondContact O-N 2.84Å; M248-Q252 WeakPolarHBondContact O-CG 3.49Å; M248-Q252 PolarHBondContact O-N 3.15Å
249F91.6Very high82.2Confident128 Ų128106.2 Ų106.256%0.56161%0.605SS**Hα-helixtrans-61.4-45.4177.2-179.2-97.1000112.4D245 R246 A251 Q252 Q253D245-F249 WeakPolarHBondContact O-CB 3.4Å; D245-F249 PolarHBondContact O-N 3.23Å; R246-F249 PolarHBondContact O-N 3.4Å; F249-A251 PolarHBondContact O-N 3.22Å; F249-Q252 PolarHBondContact O-N 3.29Å; F249-Q253 PolarHBondContact O-N 3.34Å
250L91.6Very high79.7Confident85 Ų85104.1 Ų104.145%0.44561%0.614SS.*Hα-helixtrans-63.6-40.7176.5-72.5170.8000112R246 A247 Q253 M254R246-L250 HydrophobicContact CG-CD1 4.31Å; R246-L250 WeakPolarHBondContact O-CG 3.28Å; R246-L250 PolarHBondContact O-N 3.04Å; A247-L250 PolarHBondContact O-N 3.41Å; L250-Q253 PolarHBondContact O-N 3.31Å; L250-M254 VanDerWaalsContact O-CG 3.25Å; L250-M254 WeakPolarHBondContact O-CG 3.16Å; L250-M254 PolarHBondContact O-N 2.92Å; L250-M254 VanDerWaalsContact O-N 3.1Å
251A89.3Confident77.2Confident53 Ų53107.5 Ų107.544%0.43862%0.622SS.*Hα-helixtrans-64.7-39.4176.400000112.3A247 M248 F249 M254 S255A247-A251 WeakPolarHBondContact O-CB 3.4Å; A247-A251 PolarHBondContact O-N 3.01Å; M248-A251 PolarHBondContact O-N 2.84Å; F249-A251 PolarHBondContact O-N 3.22Å; A251-M254 PolarHBondContact O-N 3.14Å; A251-S255 WeakPolarHBondContact O-CB 3.4Å; A251-S255 PolarHBondContact O-N 2.95Å; A251-S255 PolarHBondContact O-OG 3.43Å
252Q90.4Very high74.9Confident133 Ų133106.9 Ų106.962%0.62162%0.62SS**Hα-helixtrans-65-42.1174.7-74.6174-2.500111.9M248 F249 M254 S255 G256M248-Q252 WeakPolarHBondContact O-CG 3.49Å; M248-Q252 PolarHBondContact O-N 3.15Å; F249-Q252 PolarHBondContact O-N 3.29Å; Q252-M254 VanDerWaalsContact C-N 3.29Å; Q252-M254 PolarHBondContact O-N 3.44Å; Q252-S255 PolarHBondContact O-N 3.06Å; Q252-G256 PolarHBondContact O-N 3.05Å
253Q89.3Confident72.6Confident133 Ų133106.7 Ų106.762%0.62163%0.633SS**Hα-helixtrans-62.4-36.4176.7-170.3178.480.700112.2F249 L250F249-Q253 PolarHBondContact O-N 3.34Å; L250-Q253 PolarHBondContact O-N 3.31Å
254M81.6Confident70.1Confident169 Ų169105.5 Ų105.583%0.83365%0.646SS**Hα-helixtrans-74.4-27.9176.2-67.8-93-72.100113.3L250 A251 Q252L250-M254 VanDerWaalsContact O-CG 3.25Å; L250-M254 WeakPolarHBondContact O-CG 3.16Å; L250-M254 PolarHBondContact O-N 2.92Å; L250-M254 VanDerWaalsContact O-N 3.1Å; A251-M254 PolarHBondContact O-N 3.14Å; Q252-M254 VanDerWaalsContact C-N 3.29Å; Q252-M254 PolarHBondContact O-N 3.44Å
255S76.8Confident67.4Low96 Ų96107.9 Ų107.967%0.67167%0.669SS**Hα-helixtrans-85.6-12.3178-51.50000112.5A251 Q252 V257A251-S255 WeakPolarHBondContact O-CB 3.4Å; A251-S255 PolarHBondContact O-N 2.95Å; A251-S255 PolarHBondContact O-OG 3.43Å; Q252-S255 PolarHBondContact O-N 3.06Å; S255-V257 PolarHBondContact O-N 2.74Å; S255-V257 VanDerWaalsContact O-N 3.08Å
256G63.6Low64.8Low52 Ų52109.9 Ų109.954%0.53668%0.679SS.*SBendtrans-69.396169.300000110.6Q252 A258Q252-G256 PolarHBondContact O-N 3.05Å; G256-A258 PolarHBondContact O-N 2.74Å
257V50.3Low62.4Low126 Ų126110.1 Ų110.176%0.76469%0.687SS**  trans-47.3123.3167.6174.30000109.5S255 G259S255-V257 PolarHBondContact O-N 2.74Å; S255-V257 VanDerWaalsContact O-N 3.08Å; V257-G259 VanDerWaalsContact C-N 3.25Å; V257-G259 PolarHBondContact O-N 3.11Å
258A52.1Low60.1Low108 Ų108114.4 Ų114.489%0.89371%0.712SS**  trans-50.997149.500000107.8G256G256-A258 PolarHBondContact O-N 2.74Å
259G43.6Very low57.3Low64 Ų64113.6 Ų113.666%0.6672%0.724SS**  trans-15793.5-171.500000112.5V257V257-G259 VanDerWaalsContact C-N 3.25Å; V257-G259 PolarHBondContact O-N 3.11Å
260G40.7Very low54.4Low72 Ų72115.2 Ų115.274%0.74274%0.737SS**  trans89.780.6147.500000116.9
261M40Very low51.5Low191 Ų191116.6 Ų116.694%0.94175%0.754SS**PPolyproline II helixtrans-64.8126.7144.5-99.5138.4134.700108.3
262P43Very low48.9Very low118 Ų118122.9 Ų122.977%0.76677%0.774SS**PPolyproline II helixtrans-77.4142.7171.431.2-29.9000110
263P43.4Very low46.7Very low136 Ų136121.7 Ų121.788%0.88378%0.778SS**PPolyproline II helixtrans-83.7123.6173.931.9-28.5000110.2
264G35.5Very low43.9Very low77 Ų77123.6 Ų123.679%0.79479%0.791SS**  trans134.7132.9155.300000117.3
265A34.1Very low41.3Very low96 Ų96121.2 Ų121.279%0.79379%0.791SS**  trans86.2117169.400000116.2
266L34.9Very low39.4Very low168 Ų168120.4 Ų120.488%0.8880%0.798SS**  cis-156.81396.7-84.9137.8000107.8
267H39.4Very low38Very low185 Ų185123 Ų12386%0.85681%0.814SS**  trans-77.7164.2165-82.5-88.2000111
268P41.4Very low37.4Very low130 Ų130126.6 Ų126.684%0.84482%0.82SS**  -142.8134.99832.3-15.2000115.8
269G30.5Very low36.7Very low65 Ų65127.6 Ų127.667%0.6782%0.817SS**  trans73.3132.715200000116.9
270I31.1Very low36.5Very low162 Ų162132.6 Ų132.683%0.83183%0.828SS**  cis-160.4132.434.7-74.4174.1000108.3
271S31.3Very low36.7Very low114 Ų114135 Ų13580%0.79783%0.83SS**  trans71.9116.4156-53.30000122.2
272E33.2Very low36.9Very low185 Ų185133.8 Ų133.886%0.86482%0.824SS**  trans-82.6-169.2160.7-55-175.6134.500112.4
273P44.8Very low37.2Very low109 Ų109133.1 Ų133.171%0.70882%0.82SS**  -130.2-177.1-85.640.2-21.4000112.4
274I29.9Very low37.7Very low172 Ų172132.3 Ų132.388%0.88282%0.815SS**  trans-151.7136.6142.6-92.8145.8000110.3
275S28.4Very low38.4Very low119 Ų119137.6 Ų137.683%0.83282%0.819SS**  trans-57.1150.5-178.5-57.30000117.7
276G36.2Very low39.2Very low80 Ų80141.6 Ų141.683%0.82583%0.826SS**  trans123.794.3141.100000116.7
277A33.3Very low39.8Very low106 Ų106138.2 Ų138.288%0.87682%0.822SS**  trans-157.3124.8150.100000110.9
278K38.2Very low40Very low201 Ų201133.5 Ų133.587%0.87482%0.815SS**PPolyproline II helixtrans-76.7151.9175.2-84172.5170.4173.10111.4
279P38.8Very low39.9Very low130 Ų130135.3 Ų135.384%0.84482%0.817SS**PPolyproline II helixtrans-73136165.9-8.425.1000111.3
280L38.4Very low40.8Very low168 Ų168144.5 Ų144.588%0.8883%0.831SS**PPolyproline II helixtrans-78.7145.1175.5-73.9166.8000111.9
281P45.3Very low41.4Very low122 Ų122141.1 Ų141.179%0.79283%0.827SS**PPolyproline II helixtrans-89.7156.4-175.534.7-32.6000114.3
282M43.8Very low41.6Very low166 Ų166139.6 Ų139.682%0.81883%0.83SS**PPolyproline II helixtrans-81.1144.5-178.9-143.9-97-73.600111.7
283P49.1Very low41.8Very low105 Ų105134.9 Ų134.968%0.68282%0.822SS**PPolyproline II helixtrans-73153.5-170.4-2033.8000116.5
284P55.2Low41.4Very low118 Ų118136.2 Ų136.277%0.76683%0.829SS**  trans-104.945.8-162.139.5-31.5000116.7
285E48.8Very low41.6Very low189 Ų189137.5 Ų137.588%0.88383%0.833SS**SBendtrans-97.62.9178.3-70.4-168164.500115.5
286L51Low41.9Very low180 Ų180135.2 Ų135.294%0.94283%0.828SS**SBendtrans-105.89.7-179.7-71.4175000115.1
287A47.9Very low41.7Very low96 Ų96139.8 Ų139.879%0.79383%0.828SS**SBendtrans-107.4-3.2-172.600000115.9
288A43.8Very low41.5Very low86 Ų86141.9 Ų141.971%0.71182%0.82SS**SBendtrans-127113.3-176.700000111.5
289L38.8Very low41.4Very low169 Ų169142.6 Ų142.689%0.88582%0.817SS**SBendtrans133.919.9164-72.3157.2000114.7A291L289-A291 PolarHBondContact O-N 2.84Å
290R50.5Low41.2Very low258 Ų258144.1 Ų144.197%0.97482%0.818SS**SBendtrans-81.913.4156.2-149.7-175-115.2-176.4-1.3113.2
291A42.9Very low40.9Very low90 Ų90143.7 Ų143.774%0.74481%0.813SS**  trans-139.2101.3-178.600000110.6L289L289-A291 PolarHBondContact O-N 2.84Å
292G34.8Very low40.1Very low82 Ų82144.7 Ų144.785%0.84581%0.812SS**  trans158.867.5176.100000112.8
293A38.7Very low39.4Very low86 Ų86139.9 Ų139.971%0.71181%0.805SS**  trans-76153.4171.800000111.6
294T34.9Very low38.4Very low137 Ų137139.9 Ų139.984%0.8481%0.814SS**  trans90.2123.8155.673.80000119.9
295M36Very low37.5Very low199 Ų199142.5 Ų142.598%0.9882%0.818SS**  trans113.6124.8143.3-149.8173.2-12100118.6
296G33.6Very low37.4Very low71 Ų71139.4 Ų139.473%0.73281%0.814SS**  trans10887.1160.100000116
297Q32.1Very low36.6Very low176 Ų176134.9 Ų134.982%0.82280%0.803SS**  64.8107.680.7-132.9-169.8-39.600117.1
298Q30Very low35.9Very low151 Ų151138 Ų13871%0.70680%0.803SS**  trans80.5141.4134.3-128.1158.6-6.400124.6
299R35.5Very low35.3Very low215 Ų215140.8 Ų140.881%0.81181%0.806SS**  trans94.6115.4156.2-58.5-169.6-176.5-163.71.3116
300L33.9Very low34.7Very low163 Ų163136.4 Ų136.485%0.85380%0.801SS**  83.6127.866.6-91.8170.6000114.4
301M33.1Very low33.7Very low158 Ų158128.9 Ų128.978%0.77879%0.794SS**  trans100.2132.1150-96.2-167.2161.700122.2
302D28.8Very low33Very low143 Ų143129.9 Ų129.977%0.76580%0.803SS**  trans62.2138.3150.6-63.2-16.3000118.3
303G27.6Very low32.6Very low66 Ų66130 Ų13068%0.6880%0.804SS**  cis152.7161.815.400000107.2
304A29.3Very low32.1Very low105 Ų105129.9 Ų129.987%0.86881%0.811SS**  trans80.6111.9166.900000119.5
305M36.2Very low32Very low172 Ų172132.7 Ų132.785%0.84782%0.815SS**  trans-66.5163149.5-63.4-80.8-81.600109.7
306P45.7Very low31.6Very low125 Ų125130.5 Ų130.581%0.81281%0.807SS**  -140.9165103.229.7-11.6000115.8
307A34.6Very low31.4Very low85 Ų85137.5 Ų137.570%0.70281%0.813SS**  trans-48.7167.5171.900000114.3
308M34Very low31.4Very low160 Ų160138.7 Ų138.779%0.78882%0.819SS**  -178.2150.452.4-154.3166.8109.100112
309N30Very low31.3Very low145 Ų145140.8 Ų140.878%0.77583%0.828SS**  trans70.3124.4140.8-91.710.6000125.6
310G27.4Very low31Very low77 Ų77142 Ų14279%0.79483%0.833SS**  110.713912100000115.6
311A28.5Very low30.8Very low100 Ų100141.8 Ų141.883%0.82683%0.83SS**  cis-179.8158.5-16.300000106.7
312A29.2Very low30.6Very low112 Ų112143.7 Ų143.793%0.92684%0.837SS**  trans73.5138.116300000118.4
313G26.4Very low30.7Very low83 Ų83142.8 Ų142.886%0.85684%0.841SS**  cis169.8164.81.900000110.1
314G28Very low30.8Very low85 Ų85149.4 Ų149.488%0.87685%0.852SS**  trans136.487.1160.900000116.6
315E31.4Very low30.8Very low196 Ų196151.4 Ų151.492%0.91685%0.853SS**  trans-99.5141.3159-67.5178.8146.300109
316D28.3Very low30.6Very low153 Ų153147.2 Ų147.282%0.81885%0.845SS**  trans-158.3155.3153.9-134.5-15.1000112.3
317Y29.4Very low29.7Very low218 Ų218150.7 Ų150.786%0.85585%0.851SS**  trans93.464.1-177.8-66.2-83.7000118.5
318Q31.5Very low29.3Very low201 Ų201149.9 Ų149.994%0.93985%0.85SS**  trans-139.679.6151.7-138.2162.4-22.400109.7
319Q27.9Very low29Very low194 Ų194152.8 Ų152.891%0.90786%0.859SS**  trans-142.272.1177.3-164.9164.870.300111.5
320W29Very low28.8Very low241 Ų241150.7 Ų150.791%0.91386%0.861SS**SBendtrans-157.2102.9144.6-160.662.4000109.1
321M31.7Very low28.8Very low159 Ų159153 Ų15378%0.78387%0.865SS**SBendtrans144.477.3159-76.8-86.7-83.700109.2
322E28.6Very low29Very low197 Ų197153.6 Ų153.692%0.92186%0.861SS**  trans-173.9114.6135.7-106.1171-174.300110.9
323S29.5Very low28.9Very low124 Ų124156.7 Ų156.787%0.86786%0.856SS**  trans-124.7107.5156.7-83.90000106.5
324K30.1Very low29.4Very low206 Ų206158 Ų15890%0.89685%0.849SS**  trans172114.3132.1-89.2-91.4179.4175.20110
325V30.6Very low29.4Very low147 Ų147161.4 Ų161.489%0.89184%0.842SS**  trans-75.3148.6171169.50000111.2
326A30.3Very low29.2Very low83 Ų83164 Ų16469%0.68684%0.844SS**  trans-65.5164.1-176.600000118.1
327Q27.2Very low29.2Very low199 Ų199165.3 Ų165.393%0.9385%0.845SS**  trans-140135.9134.2-80.4-175.2-28.100105.1
328G27.4Very low29.2Very low67 Ų67158.9 Ų158.969%0.69185%0.845SS**  cis134110.213.600000108
329K27.1Very low29.1Very low222 Ų222153.9 Ų153.997%0.96584%0.838SS**  trans160.4145.1141-91178.2178.1-178.60113.9
330A26.1Very low29.2Very low101 Ų101153.8 Ų153.884%0.83584%0.838SS**  trans-99.9154-173.100000113.9
331S26.6Very low29.5Very low125 Ų125149 Ų14987%0.87483%0.834SS**  -177.8153.8128.9-128.90000111.8
332P33.6Very low29.3Very low112 Ų112152.4 Ų152.473%0.72784%0.84SS**  trans-111.9152.7-167.137.1-25.8000118.2
333Q26.7Very low29.4Very low177 Ų177148.2 Ų148.283%0.82783%0.833SS**  trans73.5155.2152.1-87-180-35.700121.7
334P37Very low29.4Very low111 Ų111149.7 Ų149.772%0.72183%0.831SS**  cis-134.3159.517.536.2-15.4000119.6
335Q26.8Very low29.6Very low156 Ų156146.3 Ų146.373%0.72983%0.827SS**  trans33.6126.1149-67.9-177.1-40.700122.2
336R27.7Very low29.7Very low251 Ų251147.1 Ų147.195%0.94783%0.826SS**  -163.3147.6116.6-103.6-172.5-172.6-162.22.4112.7
337H29.2Very low29.9Very low180 Ų180149.5 Ų149.583%0.83383%0.834SS**  trans-75153.2-171.8-68.673.3000113.7
338G27.7Very low30.2Very low83 Ų83146.4 Ų146.486%0.85683%0.829SS**  trans154.186.4160.900000113.2
339A30.1Very low30.7Very low97 Ų97155 Ų15580%0.80284%0.84SS**  trans-99.9118.5171.600000109.5
340E30.3Very low30.9Very low192 Ų192154.5 Ų154.590%0.89784%0.838SS**  trans-130.4119.9157.7-78.3-167.3157.400109.3
341V34.2Very low31.1Very low139 Ų139154.5 Ų154.584%0.84284%0.838SS**  trans-88.5128.3-178.4170.20000108.3S343V341-S343 PolarHBondContact O-N 3.17Å
342Y29.1Very low31.3Very low232 Ų232153.1 Ų153.191%0.9184%0.835SS**  trans-67.2124.4172.1-88.2-99.1000110.7
343S30.5Very low31.5Very low109 Ų109153.8 Ų153.876%0.76284%0.839SS**  trans-119.2122169.2-169.80000110.3V341V341-S343 PolarHBondContact O-N 3.17Å
344N28.5Very low31.9Very low155 Ų155151.6 Ų151.683%0.82984%0.838SS**  trans-78.8128.4167.6-71.3-62.4000109.3
345T35.1Very low31.5Very low134 Ų134156.7 Ų156.782%0.82285%0.849SS**  trans-156.7122.1150.547.40000112.8
346L32.5Very low31.8Very low165 Ų165154.3 Ų154.386%0.86485%0.849SS**PPolyproline II helixtrans-59.1145.7160.1-64.9163.5000110.8V348L346-V348 PolarHBondContact O-N 2.82Å
347P35.2Very low31.8Very low132 Ų132152.1 Ų152.186%0.85785%0.847SS**PPolyproline II helixtrans-85.5116.3178.430.4-29.3000112.3
348V32.4Very low31.8Very low135 Ų135150 Ų15082%0.81885%0.846SS**PPolyproline II helixtrans-102.5127.5162.6171.40000108.7L346L346-V348 PolarHBondContact O-N 2.82Å
349R38.3Very low32.4Very low246 Ų246151.4 Ų151.493%0.92884%0.841SS**PPolyproline II helixtrans-83134.7172.2-78.3-177.2174.4172.8-1.2110.8
350K30.6Very low32.2Very low212 Ų212155.1 Ų155.192%0.92284%0.841SS**PPolyproline II helixtrans-100.4147.4161.6-87.8-177175.4177.80110.5
351A31.3Very low32.1Very low101 Ų101153 Ų15384%0.83584%0.836SS**PPolyproline II helixtrans-94.4155.9-176.600000113.7
352A31.2Very low31.8Very low97 Ų97154.2 Ų154.280%0.80283%0.832SS**  trans141.1157.8144.500000112.7
353P37.8Very low31.8Very low126 Ų126149 Ų14982%0.81883%0.825SS**  cis-127.6174.4-27.232.1-12.5000113.9
354T34.3Very low31.9Very low131 Ų131154.8 Ų154.880%0.80483%0.83SS**  trans-69.9138.2-177.650.10000115.5
355K29.5Very low32.1Very low217 Ų217153.4 Ų153.494%0.94383%0.827SS**  trans-149.8137.5140.4-71.1-163-179.2175.10111.4
356S31.7Very low32.1Very low106 Ų106155.2 Ų155.274%0.74183%0.831SS**  trans-79.9144.8-175.652.90000114.6
357K28.1Very low32.1Very low205 Ų205153.2 Ų153.289%0.89183%0.828SS**  164123.6125.7-89.7174.6-177.9-174.40111.6
358T30.1Very low32.2Very low135 Ų135158.3 Ų158.383%0.82883%0.83SS**  trans-80.5160.2157.120.20000109.6
359P38.9Very low32.2Very low114 Ų114157.5 Ų157.574%0.7483%0.83SS**  cis-146.5168.146.438.6-16.7000119.1
360Q25.7Very low31.9Very low174 Ų174151.2 Ų151.281%0.81382%0.824SS**  trans62.6123.7146.3-88.5-174.6-62.900124.8
361L28.9Very low31.9Very low149 Ų149146.7 Ų146.778%0.7882%0.819SS**  trans79.8137.6133.9-136.477.9000121.8
362E27.7Very low32.1Very low163 Ų163151 Ų15176%0.76282%0.824SS**  trans86.9104161.4-67.9-169.1150.900121
363T30.2Very low32.4Very low124 Ų124150.5 Ų150.576%0.76182%0.82SS**  31.3109.4128.124.90000119
364R31.6Very low32.4Very low230 Ų230149.9 Ų149.987%0.86883%0.825SS**  175.9138.7107.3-100.7-179.9155.4149.6-5114.4
365T32.8Very low32.5Very low126 Ų126147.5 Ų147.577%0.77383%0.827SS**  trans66.496.4145.2580000120.8
366L35.6Very low32.6Very low171 Ų171145 Ų14590%0.89582%0.823SS**  trans-112.9154.2143.5-77.6170.2000109.6
367P31.6Very low32.9Very low124 Ų124147.7 Ų147.781%0.80582%0.824SS**  trans-73.2139.7-164.4-11.527.7000112.9
368R37.3Very low33.5Very low238 Ų238148.5 Ų148.590%0.89882%0.822SS**  trans-55.3136.1173.7-80.1173.4158.484.6-2112.1
369S32.4Very low34.3Very low118 Ų118148.4 Ų148.483%0.82582%0.816SS**  trans-149.1107.1134.2-79.20000109.9
370S33.3Very low35.2Very low115 Ų115146.8 Ų146.880%0.80482%0.82SS**  trans60.582.1152.8-40.30000119.8
371S30.6Very low37.4Very low116 Ų116146.3 Ų146.381%0.81181%0.811SS**  trans-68.9121.8144.7-61.60000109.4
372M34.2Very low40.2Very low192 Ų192142.4 Ų142.495%0.94679%0.793SS**  trans-111.993.6144.7-71.8-68.8-84.100105.5
373A37.9Very low43.4Very low87 Ų87138 Ų13872%0.71977%0.769SS**  trans-111.2141.6169.300000108.6
374A37.9Very low46.5Very low112 Ų112132.2 Ų132.293%0.92673%0.734SS**SBendtrans80.6114.2164.600000117.7
375G36.5Very low49.7Very low81 Ų81123.7 Ų123.784%0.83570%0.704SS**  trans121.552.9149.100000118.1
376L32Very low52.7Low166 Ų166117.8 Ų117.887%0.86967%0.668SS**  trans-157.2101.5146.3-161.462.3000111.2
377E36.7Very low55.6Low161 Ų161111.6 Ų111.675%0.75264%0.637SS**  trans9.1103.8149-56.9-59.6122.600118.7N379E377-N379 PolarHBondContact O-N 3.28Å
378R42.1Very low58.7Low223 Ų223111.4 Ų111.484%0.84262%0.624SS**SBendtrans48.6-16.1131.6-124.2171.6-175.9-972.8125
379N47.1Very low61.5Low132 Ų132103.6 Ų103.671%0.70661%0.606SS**  trans-133.868.4-164.6-65.2-9.9000116.1E377E377-N379 PolarHBondContact O-N 3.28Å
380G56.5Low64.5Low80 Ų8099.3 Ų99.383%0.82557%0.573SS**  trans-1666.5174.300000119.1
381R73.1Confident67.4Low164 Ų16498 Ų9862%0.61957%0.569SS**SBendtrans-92133.2175-69.2-175.7178.1173.5-1109.9R383 T408 L410R381-R383 PolarHBondContact O-N 3.04Å; R381-T408 HydrophobicContact CB-CG2 3.46Å; R381-T408 VanDerWaalsContact CB-CG2 3.46Å; R381-T408 HydrophobicContact CG-CG2 4.25Å; R381-L410 VanDerWaalsContact NH1-CD2 3.27Å
382T88.1Confident70.2Confident67 Ų6793.1 Ų93.141%0.41154%0.535SS..  trans-54125.8175.7-53.50000109.9L409 L439T382-L409 HydrophobicContact CG2-CD1 3.86Å; T382-L409 WeakPolarHBondContact O-CB 3.27Å; T382-L409 PolarHBondContact O-N 3.21Å; T382-L439 HydrophobicContact CG2-CD2 3.21Å
383R94.4Very high72.7Confident70 Ų7087.4 Ų87.426%0.26453%0.525SS..EExtended strand (participates in β ladder)trans-109.1143.5177.3-72.9-179.9-62.4-179.5-1.7110.5R381 V406 I407 E424 V440 E442R381-R383 PolarHBondContact O-N 3.04Å; R383-V406 HydrophobicContact CB-CG1 4.13Å; R383-V406 HydrophobicContact CG-CG1 4.33Å; R383-I407 WeakPolarHBondContact CA-O 3.41Å; R383-E424 WeakPolarHBondContact CD-OE1 3.48Å; R383-V440 HydrophobicContact CB-CB 4.27Å; R383-V440 PolarHBondContact O-N 3.36Å; R383-E442 IonicContact CZ-OE1 3.93Å; R383-E442 IonicContact NH1-OE1 3.78Å; R383-E442 IonicContact NH2-OE1 2.71Å; R383-E442 PolarHBondContact NH2-OE1 2.86Å; R383-E442 IonicContact NH2-OE2 3.43Å
384V95.7Very high75.1Confident3 Ų391.1 Ų91.12%0.01853%0.533CS..EExtended strand (participates in β ladder)trans-125.4148.5174.6-60.40000109.3V406 I407 L409 F432 T437 R438 L439V384-V406 CarbonylContact O-C 3.52Å; V384-V406 WeakPolarHBondContact O-CA 3.29Å; V384-I407 HydrophobicContact CG2-CB 3.9Å; V384-I407 HydrophobicContact CG2-CG2 4.49Å; V384-I407 PolarHBondContact N-O 3.37Å; V384-I407 PolarHBondContact O-N 3.5Å; V384-L409 HydrophobicContact CG1-CD1 3.98Å; V384-L409 HydrophobicContact CG1-CD2 4.25Å; V384-L409 HydrophobicContact CG1-CG 4.12Å; V384-L409 HydrophobicContact CG2-CD2 3.95Å; V384-L409 HydrophobicContact CG2-CG 4.46Å; V384-F432 HydrophobicContact CG2-CE2 4.21Å; V384-F432 HydrophobicContact CG2-CZ 4.04Å; V384-T437 HydrophobicContact CG2-CG2 4.01Å; V384-R438 CarbonylContact C-O 3.55Å; V384-R438 WeakPolarHBondContact CA-O 3.38Å; V384-R438 WeakPolarHBondContact CB-O 3.25Å; V384-L439 HydrophobicContact CG1-CD2 3.85Å; V384-L439 HydrophobicContact CG1-CG 4.43Å
385Q97.1Very high77.6Confident52 Ų5289 Ų8924%0.24351%0.506CS..EExtended strand (participates in β ladder)trans-109.1133.9174.7178.4173.750.400108.8V387 G404 D405 T437 R438 V440Q385-V387 PolarHBondContact O-N 3.11Å; Q385-G404 PolarHBondContact NE2-O 3.28Å; Q385-D405 CarbonylContact C-O 3.58Å; Q385-D405 WeakPolarHBondContact CA-O 3.39Å; Q385-T437 CarbonylContact O-C 3.58Å; Q385-T437 VanDerWaalsContact O-CA 3.27Å; Q385-T437 WeakPolarHBondContact O-CA 3.27Å; Q385-R438 HydrophobicContact CB-CG 4.33Å; Q385-R438 PolarHBondContact N-O 3.04Å; Q385-R438 PolarHBondContact O-N 3.39Å; Q385-V440 HydrophobicContact CB-CG2 3.45Å; Q385-V440 VanDerWaalsContact CB-CG2 3.45Å
386A96.6Very high80Confident2 Ų290.5 Ų90.52%0.01750%0.504CS..EExtended strand (participates in β ladder)trans-64.6126.7174.500000111.1F401 A402 G404 D405 Y436A386-F401 HydrophobicContact CB-CD2 3.39Å; A386-F401 HydrophobicContact CB-CE2 3.64Å; A386-F401 HydrophobicContact CB-CG 4.48Å; A386-A402 VanDerWaalsContact CB-O 3.3Å; A386-A402 WeakPolarHBondContact CB-O 3.34Å; A386-G404 PolarHBondContact O-N 3.22Å; A386-D405 HydrophobicContact CB-CB 4.5Å; A386-D405 PolarHBondContact N-O 3.44Å; A386-Y436 CarbonylContact C-O 3.59Å; A386-Y436 WeakPolarHBondContact CA-O 3.36Å
387V96.8Very high82.9Confident41 Ų4186.3 Ų86.325%0.24849%0.486CS..SBendtrans-99.6-14.3171.1-67.70000112.2Q385 Y436 R438Q385-V387 PolarHBondContact O-N 3.11Å; V387-Y436 VanDerWaalsContact CG2-O 3.26Å; V387-Y436 WeakPolarHBondContact CG2-O 3.43Å; V387-Y436 PolarHBondContact N-O 3.42Å; V387-R438 HydrophobicContact CG1-CB 4.13Å; V387-R438 HydrophobicContact CG1-CG 3.76Å
388F96.2Very high85.7Confident120 Ų12080.7 Ų80.753%0.52646%0.461SS..SBendtrans-137.4153.6172-60.4-67.5000109.2F401 Y436F388-F401 VanDerWaalsContact O-CE2 3.27Å; F388-F401 WeakPolarHBondContact O-CE2 3.42Å; F388-Y436 HydrophobicContact CB-CD2 3.7Å; F388-Y436 HydrophobicContact CB-CE2 4.09Å; F388-Y436 HydrophobicContact CB-CG 4.15Å; F388-Y436 PolarHBondContact N-O 3.15Å
389S95.8Very high88.3Confident73 Ų7370.2 Ų70.251%0.5142%0.421SS..  trans-78.9146.5174.6-57.90000111.1F401 E403 Y436S389-F401 WeakPolarHBondContact CA-O 3.41Å; S389-E403 PolarHBondContact OG-N 3.46Å; S389-Y436 WeakPolarHBondContact O-CE2 3.44Å
390H95.7Very high90.7Very high29 Ų2966.6 Ų66.613%0.13441%0.406CS..BIsolated β-bridgetrans-132.4127.9175.5-179.8-99.7000110.1L399 S400 F401 Y436H390-L399 PolarHBondContact ND1-O 3.48Å; H390-S400 CarbonylContact O-C 3.56Å; H390-S400 VanDerWaalsContact O-CA 3.28Å; H390-S400 WeakPolarHBondContact O-CA 3.35Å; H390-F401 HydrophobicContact CB-CD1 4.06Å; H390-F401 HydrophobicContact CB-CD2 4.31Å; H390-F401 HydrophobicContact CB-CE1 3.49Å; H390-F401 VanDerWaalsContact CB-CE1 3.49Å; H390-F401 HydrophobicContact CB-CE2 3.83Å; H390-F401 HydrophobicContact CB-CG 4.43Å; H390-F401 HydrophobicContact CB-CZ 3.39Å; H390-F401 PolarHBondContact N-O 3.42Å; H390-F401 PolarHBondContact O-N 2.9Å; H390-F401 VanDerWaalsContact O-O 3.13Å; H390-Y436 HydrophobicContact CB-CD2 4.06Å; H390-Y436 HydrophobicContact CB-CE2 4.37Å
391A94.6Very high92.6Very high88 Ų8863.4 Ų63.473%0.72737%0.37SS*.  trans-113.9111.8178.100000109.7G393A391-G393 PolarHBondContact O-N 3.15Å
392A88.3Confident93.7Very high13 Ų1357.6 Ų57.611%0.10736%0.357CS..  trans-72.3-9.8-179.800000114.4D394 N395 L398 S400A392-D394 PolarHBondContact O-N 2.9Å; A392-N395 WeakPolarHBondContact O-CB 3.25Å; A392-N395 PolarHBondContact O-N 3.03Å; A392-N395 VanDerWaalsContact O-N 3.11Å; A392-L398 HydrophobicContact CB-CB 3.51Å; A392-L398 WeakPolarHBondContact CB-O 3.16Å; A392-S400 VanDerWaalsContact CB-OG 3.25Å; A392-S400 WeakPolarHBondContact CB-OG 3.37Å; A392-S400 PolarHBondContact N-OG 3.31Å
393G88.5Confident94.1Very high71 Ų7160.8 Ų60.873%0.73237%0.367SS*.THydrogen-bonded Turntrans60.4-125.3-173.100000111.4A391A391-G393 PolarHBondContact O-N 3.15Å
394D88.2Confident94.1Very high166 Ų16659.1 Ų59.189%0.88837%0.371SS*.THydrogen-bonded Turntrans-92.30.5177.562.1-21.4000113.7A392 S396A392-D394 PolarHBondContact O-N 2.9Å; D394-S396 PolarHBondContact O-N 2.64Å
395N89.1Confident94.2Very high66 Ų6659.8 Ų59.835%0.35338%0.375SS..  trans-81.5104.2-177.4-169.7-27.1000111.8A392 T397 L398A392-N395 WeakPolarHBondContact O-CB 3.25Å; A392-N395 PolarHBondContact O-N 3.03Å; A392-N395 VanDerWaalsContact O-N 3.11Å; N395-T397 PolarHBondContact O-N 3.39Å; N395-T397 WeakPolarHBondContact OD1-CB 3.3Å; N395-T397 PolarHBondContact OD1-N 3.37Å; N395-T397 PolarHBondContact OD1-OG1 3.08Å; N395-L398 HydrophobicContact CB-CB 4.34Å; N395-L398 HydrophobicContact CB-CD1 4.08Å; N395-L398 HydrophobicContact CB-CG 4.14Å; N395-L398 PolarHBondContact O-N 2.72Å
396S88.1Confident94.2Very high114 Ų11459.1 Ų59.180%0.79737%0.374SS*.THydrogen-bonded Turntrans-68.5-11.3179.961.60000115.1D394D394-S396 PolarHBondContact O-N 2.64Å
397T93.3Very high94.2Very high78 Ų7859 Ų5948%0.47937%0.374SS..THydrogen-bonded Turntrans-86.5-17.8175.570.50000112.6N395 G430 W431N395-T397 PolarHBondContact O-N 3.39Å; N395-T397 WeakPolarHBondContact OD1-CB 3.3Å; N395-T397 PolarHBondContact OD1-N 3.37Å; N395-T397 PolarHBondContact OD1-OG1 3.08Å; T397-G430 CarbonylContact O-C 3.57Å; T397-G430 WeakPolarHBondContact O-CA 3.42Å; T397-W431 PolarHBondContact O-N 3.29Å
398L95.5Very high94.2Very high43 Ų4358.3 Ų58.323%0.22537%0.369CS..BIsolated β-bridgetrans-98.8146.7-178.4-64.2-176.2000111A392 N395 W418 W431A392-L398 HydrophobicContact CB-CB 3.51Å; A392-L398 WeakPolarHBondContact CB-O 3.16Å; N395-L398 HydrophobicContact CB-CB 4.34Å; N395-L398 HydrophobicContact CB-CD1 4.08Å; N395-L398 HydrophobicContact CB-CG 4.14Å; N395-L398 PolarHBondContact O-N 2.72Å; L398-W418 HydrophobicContact CD2-CE3 4.34Å; L398-W418 HydrophobicContact CD2-CH2 4.13Å; L398-W418 HydrophobicContact CD2-CZ3 3.66Å; L398-W431 CarbonylContact C-O 3.39Å; L398-W431 WeakPolarHBondContact CA-O 3.42Å; L398-W431 HydrophobicContact CD2-CB 3.97Å
399L96.4Very high94.2Very high2 Ų253 Ų531%0.0135%0.346CS..PPolyproline II helixtrans-95.2122.8179.5-176.460000110.9H390 F401 I407 N423 M428 W431 F432H390-L399 PolarHBondContact ND1-O 3.48Å; L399-F401 HydrophobicContact CD2-CD1 4.41Å; L399-F401 HydrophobicContact CG-CD1 4.1Å; L399-F401 WeakPolarHBondContact O-CD1 3.35Å; L399-F401 WeakPolarHBondContact O-CE1 3.44Å; L399-I407 HydrophobicContact CD2-CD1 4.11Å; L399-I407 HydrophobicContact CD2-CG1 4.45Å; L399-I407 HydrophobicContact CD2-CG2 3.98Å; L399-N423 HydrophobicContact CD1-CB 4.11Å; L399-N423 HydrophobicContact CD2-CB 4.23Å; L399-N423 HydrophobicContact CG-CB 4.5Å; L399-M428 VanDerWaalsContact CD1-C 3.49Å; L399-M428 HydrophobicContact CD1-CB 3.75Å; L399-M428 WeakPolarHBondContact CD1-O 3.44Å; L399-W431 PolarHBondContact N-O 3.34Å; L399-F432 HydrophobicContact CB-CB 4.46Å; L399-F432 HydrophobicContact CB-CD1 4.36Å; L399-F432 HydrophobicContact CD2-CD1 3.88Å; L399-F432 HydrophobicContact CD2-CE1 4.25Å
400S95.9Very high94.1Very high57 Ų5752 Ų5240%0.39934%0.335SS..PPolyproline II helixtrans-85.3136.5168.5-66.40000111.6H390 A392H390-S400 CarbonylContact O-C 3.56Å; H390-S400 VanDerWaalsContact O-CA 3.28Å; H390-S400 WeakPolarHBondContact O-CA 3.35Å; A392-S400 VanDerWaalsContact CB-OG 3.25Å; A392-S400 WeakPolarHBondContact CB-OG 3.37Å; A392-S400 PolarHBondContact N-OG 3.31Å
401F96.9Very high93.9Very high12 Ų1252.8 Ų52.85%0.05334%0.341CS..BIsolated β-bridgetrans-157.3156176.154-89.4000111.4A386 F388 S389 H390 L399 D405 I407 N423 F432 T437A386-F401 HydrophobicContact CB-CD2 3.39Å; A386-F401 HydrophobicContact CB-CE2 3.64Å; A386-F401 HydrophobicContact CB-CG 4.48Å; F388-F401 VanDerWaalsContact O-CE2 3.27Å; F388-F401 WeakPolarHBondContact O-CE2 3.42Å; S389-F401 WeakPolarHBondContact CA-O 3.41Å; H390-F401 HydrophobicContact CB-CD1 4.06Å; H390-F401 HydrophobicContact CB-CD2 4.31Å; H390-F401 HydrophobicContact CB-CE1 3.49Å; H390-F401 VanDerWaalsContact CB-CE1 3.49Å; H390-F401 HydrophobicContact CB-CE2 3.83Å; H390-F401 HydrophobicContact CB-CG 4.43Å; H390-F401 HydrophobicContact CB-CZ 3.39Å; H390-F401 PolarHBondContact N-O 3.42Å; H390-F401 PolarHBondContact O-N 2.9Å; H390-F401 VanDerWaalsContact O-O 3.13Å; L399-F401 HydrophobicContact CD2-CD1 4.41Å; L399-F401 HydrophobicContact CG-CD1 4.1Å; L399-F401 WeakPolarHBondContact O-CD1 3.35Å; L399-F401 WeakPolarHBondContact O-CE1 3.44Å; F401-D405 HydrophobicContact CB-CB 4.12Å; F401-I407 HydrophobicContact CB-CD1 4.31Å; F401-I407 HydrophobicContact CD1-CD1 3.75Å; F401-I407 HydrophobicContact CD2-CD1 4.18Å; F401-I407 HydrophobicContact CE1-CD1 4.05Å; F401-I407 HydrophobicContact CE2-CD1 4.41Å; F401-I407 HydrophobicContact CG-CD1 3.82Å; F401-I407 HydrophobicContact CZ-CD1 4.35Å; F401-N423 VanDerWaalsContact CB-ND2 3.34Å; F401-N423 WeakPolarHBondContact CB-ND2 3.41Å; F401-F432 HydrophobicContact CD1-CB 4.46Å; F401-F432 HydrophobicContact CE1-CB 3.4Å; F401-F432 VanDerWaalsContact CE1-CB 3.4Å; F401-F432 HydrophobicContact CE1-CD2 4.29Å; F401-F432 AromaticContact CE1-CG 3.92Å; F401-F432 HydrophobicContact CE1-CG 3.92Å; F401-F432 HydrophobicContact CZ-CB 3.94Å; F401-F432 HydrophobicContact CZ-CD2 4.27Å; F401-F432 HydrophobicContact CZ-CG 4.34Å; F401-T437 HydrophobicContact CE2-CG2 4.41Å; F401-T437 HydrophobicContact CZ-CG2 4.39Å
402A97.1Very high93.2Very high42 Ų4253.4 Ų53.435%0.34734%0.338SS..  trans-96.8159.1173.100000110.9A386 G404 D405A386-A402 VanDerWaalsContact CB-O 3.3Å; A386-A402 WeakPolarHBondContact CB-O 3.34Å; A402-G404 PolarHBondContact O-N 3.17Å; A402-D405 PolarHBondContact N-OD2 3.06Å; A402-D405 VanDerWaalsContact O-CB 3.29Å; A402-D405 WeakPolarHBondContact O-CB 3.48Å; A402-D405 PolarHBondContact O-N 3.04Å; A402-D405 VanDerWaalsContact O-N 3.1Å
403E96.2Very high93.1Very high135 Ų13560.2 Ų60.263%0.63137%0.368SS*.THydrogen-bonded Turntrans-52.9133.4169.1-176.3179.6163.300110.5S389S389-E403 PolarHBondContact OG-N 3.46Å
404G94.9Very high93.1Very high34 Ų3458.7 Ų58.735%0.35135%0.348SS..THydrogen-bonded Turntrans90.9-15.3-176.500000115.3Q385 A386 A402Q385-G404 PolarHBondContact NE2-O 3.28Å; A386-G404 PolarHBondContact O-N 3.22Å; A402-G404 PolarHBondContact O-N 3.17Å
405D96.6Very high93.1Very high18 Ų1859.4 Ų59.410%0.09634%0.339CS..  trans-62141.7177.2-77.7-9.1000111.2Q385 A386 F401 A402 N423 K425Q385-D405 CarbonylContact C-O 3.58Å; Q385-D405 WeakPolarHBondContact CA-O 3.39Å; A386-D405 HydrophobicContact CB-CB 4.5Å; A386-D405 PolarHBondContact N-O 3.44Å; F401-D405 HydrophobicContact CB-CB 4.12Å; A402-D405 PolarHBondContact N-OD2 3.06Å; A402-D405 VanDerWaalsContact O-CB 3.29Å; A402-D405 WeakPolarHBondContact O-CB 3.48Å; A402-D405 PolarHBondContact O-N 3.04Å; A402-D405 VanDerWaalsContact O-N 3.1Å; D405-N423 PolarHBondContact OD2-ND2 3.32Å; D405-K425 WeakPolarHBondContact OD1-CD 3.28Å; D405-K425 IonicContact OD1-NZ 3.28Å
406V97Very high93.1Very high38 Ų3864.1 Ų64.123%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-96.7130.7175.8-177.90000109.4R383 V384 E424R383-V406 HydrophobicContact CB-CG1 4.13Å; R383-V406 HydrophobicContact CG-CG1 4.33Å; V384-V406 CarbonylContact O-C 3.52Å; V384-V406 WeakPolarHBondContact O-CA 3.29Å; V406-E424 HydrophobicContact CB-CG 4.49Å; V406-E424 HydrophobicContact CG1-CG 4.34Å; V406-E424 WeakPolarHBondContact O-CB 3.23Å; V406-E424 PolarHBondContact O-N 2.99Å
407I97.1Very high93.3Very high0 Ų060.7 Ų60.70%035%0.347CS..EExtended strand (participates in β ladder)trans-122124.5-177.7-54.9171.7000108.3R383 V384 L399 F401 E422 N423 F432 T437R383-I407 WeakPolarHBondContact CA-O 3.41Å; V384-I407 HydrophobicContact CG2-CB 3.9Å; V384-I407 HydrophobicContact CG2-CG2 4.49Å; V384-I407 PolarHBondContact N-O 3.37Å; V384-I407 PolarHBondContact O-N 3.5Å; L399-I407 HydrophobicContact CD2-CD1 4.11Å; L399-I407 HydrophobicContact CD2-CG1 4.45Å; L399-I407 HydrophobicContact CD2-CG2 3.98Å; F401-I407 HydrophobicContact CB-CD1 4.31Å; F401-I407 HydrophobicContact CD1-CD1 3.75Å; F401-I407 HydrophobicContact CD2-CD1 4.18Å; F401-I407 HydrophobicContact CE1-CD1 4.05Å; F401-I407 HydrophobicContact CE2-CD1 4.41Å; F401-I407 HydrophobicContact CG-CD1 3.82Å; F401-I407 HydrophobicContact CZ-CD1 4.35Å; I407-E422 CarbonylContact C-O 3.51Å; I407-E422 WeakPolarHBondContact CA-O 3.44Å; I407-E422 WeakPolarHBondContact CG2-O 3.46Å; I407-N423 HydrophobicContact CG1-CB 4.43Å; I407-F432 HydrophobicContact CB-CZ 4.45Å; I407-F432 HydrophobicContact CD1-CE1 4.35Å; I407-F432 HydrophobicContact CD1-CE2 4.37Å; I407-F432 HydrophobicContact CD1-CZ 4.25Å; I407-F432 HydrophobicContact CG2-CE1 3.63Å; I407-F432 HydrophobicContact CG2-CZ 3.8Å; I407-T437 HydrophobicContact CD1-CG2 4.21Å
408T96.9Very high93.4Very high25 Ų2561.6 Ų61.615%0.15334%0.341CS..EExtended strand (participates in β ladder)trans-83.5122.6171.9-70.50000109.3R381 L410 G421 E422 E424R381-T408 HydrophobicContact CB-CG2 3.46Å; R381-T408 VanDerWaalsContact CB-CG2 3.46Å; R381-T408 HydrophobicContact CG-CG2 4.25Å; T408-L410 PolarHBondContact O-N 2.99Å; T408-G421 CarbonylContact O-C 3.58Å; T408-G421 WeakPolarHBondContact O-CA 3.25Å; T408-E422 PolarHBondContact N-O 3.24Å; T408-E422 PolarHBondContact O-N 3.33Å; T408-E424 PolarHBondContact OG1-OE1 3.44Å; T408-E424 VanDerWaalsContact OG1-OE1 3.08Å
409L95.9Very high93.5Very high9 Ų960.1 Ų60.15%0.04733%0.333CS..EExtended strand (participates in β ladder)trans-70.5127.8176.8-62.3-174.2000110.5T382 V384 H419 F432T382-L409 HydrophobicContact CG2-CD1 3.86Å; T382-L409 WeakPolarHBondContact O-CB 3.27Å; T382-L409 PolarHBondContact O-N 3.21Å; V384-L409 HydrophobicContact CG1-CD1 3.98Å; V384-L409 HydrophobicContact CG1-CD2 4.25Å; V384-L409 HydrophobicContact CG1-CG 4.12Å; V384-L409 HydrophobicContact CG2-CD2 3.95Å; V384-L409 HydrophobicContact CG2-CG 4.46Å; L409-H419 HydrophobicContact CD2-CB 4.1Å; L409-F432 HydrophobicContact CD2-CE1 4.4Å; L409-F432 HydrophobicContact CD2-CZ 3.69Å
410L93.8Very high93.5Very high51 Ų5163.4 Ų63.427%0.26735%0.346SS..SBendtrans-95-25.1172.9-62.7179.6000111.2R381 T408 Y420 E422 R429R381-L410 VanDerWaalsContact NH1-CD2 3.27Å; T408-L410 PolarHBondContact O-N 2.99Å; L410-Y420 HydrophobicContact CB-CD1 3.97Å; L410-Y420 HydrophobicContact CB-CE1 4.47Å; L410-Y420 HydrophobicContact CD1-CD1 4.11Å; L410-Y420 HydrophobicContact CD1-CE1 3.84Å; L410-Y420 PolarHBondContact N-O 3.1Å; L410-E422 HydrophobicContact CD1-CB 4.44Å; L410-R429 HydrophobicContact CD1-CG 4.07Å
411V90.8Very high93.5Very high46 Ų4660.7 Ų60.728%0.27933%0.327SS..SBendtrans-116.3120.3170.3-1780000108.1E413 Y420V411-E413 VanDerWaalsContact C-N 3.34Å; V411-E413 WeakPolarHBondContact CG1-O 3.43Å; V411-E413 PolarHBondContact O-N 3.35Å; V411-Y420 HydrophobicContact CG2-CD1 4.37Å; V411-Y420 PolarHBondContact N-O 3.12Å
412P81.7Confident93.5Very high101 Ų10161.2 Ų61.266%0.65633%0.33SS*.SBendtrans-61.3-35.6-172.5-26.734.7000115.1
413E85.5Confident93.5Very high157 Ų15759.2 Ų59.273%0.73431%0.313SS*.SBendtrans-113.6142.4-175.4-68.4173.9-177.400110.8V411V411-E413 VanDerWaalsContact C-N 3.34Å; V411-E413 WeakPolarHBondContact CG1-O 3.43Å; V411-E413 PolarHBondContact O-N 3.35Å
414A87.5Confident93.4Very high39 Ų3956.1 Ų56.132%0.32230%0.299SS..  trans-71.1143.9173.400000110.2W418 H419 F434A414-W418 CarbonylContact C-O 3.6Å; A414-W418 VanDerWaalsContact CA-O 3.23Å; A414-W418 WeakPolarHBondContact CA-O 3.32Å; A414-W418 WeakPolarHBondContact CB-O 3.39Å; A414-H419 PolarHBondContact N-CE1 2.93Å; A414-H419 VanDerWaalsContact N-CE1 3.27Å; A414-F434 HydrophobicContact CB-CB 4.18Å; A414-F434 HydrophobicContact CB-CG 4.4Å
415R88.6Confident93.3Very high181 Ų18162 Ų6268%0.68332%0.315SS*.BIsolated β-bridgetrans-115.9125.6171.1-67.5-173.1176.5-169.2-1.8108.6G417 W418R415-G417 PolarHBondContact O-N 3.37Å; R415-G417 VanDerWaalsContact O-N 3.1Å; R415-W418 PolarHBondContact N-O 3.33Å; R415-W418 PolarHBondContact O-N 3.07Å
416D90.2Very high93.2Very high164 Ų16464.3 Ų64.388%0.87733%0.33SS*.THydrogen-bonded Turntrans51.235.8179.7-54-34.6000114W418D416-W418 VanDerWaalsContact O-CD1 3.29Å
417G91.7Very high93.1Very high43 Ų4370.1 Ų70.144%0.44335%0.347SS..THydrogen-bonded Turntrans83.36.1-179.300000115.5R415 F434R415-G417 PolarHBondContact O-N 3.37Å; R415-G417 VanDerWaalsContact O-N 3.1Å; G417-F434 WeakPolarHBondContact O-CB 3.39Å; G417-F434 PolarHBondContact O-N 3.39Å
418W96.3Very high92.9Very high97 Ų9775.9 Ų75.937%0.36738%0.376SS..EExtended strand (participates in β ladder)trans-114.3138.1179.3-65.386000112.6L398 A414 R415 D416 W431 F432 P433L398-W418 HydrophobicContact CD2-CE3 4.34Å; L398-W418 HydrophobicContact CD2-CH2 4.13Å; L398-W418 HydrophobicContact CD2-CZ3 3.66Å; A414-W418 CarbonylContact C-O 3.6Å; A414-W418 VanDerWaalsContact CA-O 3.23Å; A414-W418 WeakPolarHBondContact CA-O 3.32Å; A414-W418 WeakPolarHBondContact CB-O 3.39Å; R415-W418 PolarHBondContact N-O 3.33Å; R415-W418 PolarHBondContact O-N 3.07Å; D416-W418 VanDerWaalsContact O-CD1 3.29Å; W418-W431 HydrophobicContact CB-CE3 3.87Å; W418-W431 HydrophobicContact CB-CZ3 4.4Å; W418-W431 HydrophobicContact CE3-CB 4.07Å; W418-F432 WeakPolarHBondContact CA-O 3.47Å; W418-P433 HydrophobicContact CE3-CG 4.4Å; W418-P433 HydrophobicContact CH2-CG 4.04Å; W418-P433 HydrophobicContact CZ3-CG 3.87Å
419H96.4Very high92.9Very high11 Ų1181.1 Ų81.15%0.05139%0.393CS..EExtended strand (participates in β ladder)trans-105.5155.4168.4-89.2-53.6000111.5L409 A414 W431 F432 F434L409-H419 HydrophobicContact CD2-CB 4.1Å; A414-H419 PolarHBondContact N-CE1 2.93Å; A414-H419 VanDerWaalsContact N-CE1 3.27Å; H419-W431 CarbonylContact O-C 3.51Å; H419-W431 VanDerWaalsContact O-CA 3.23Å; H419-W431 WeakPolarHBondContact O-CA 3.18Å; H419-F432 HydrophobicContact CB-CD1 4.34Å; H419-F432 HydrophobicContact CB-CD2 4.11Å; H419-F432 HydrophobicContact CB-CE1 3.81Å; H419-F432 HydrophobicContact CB-CE2 3.55Å; H419-F432 HydrophobicContact CB-CG 4.48Å; H419-F432 HydrophobicContact CB-CZ 3.4Å; H419-F432 PolarHBondContact N-O 3.19Å; H419-F432 WeakPolarHBondContact O-CD1 3.34Å; H419-F432 PolarHBondContact O-N 3.16Å; H419-F434 AromaticContact CD2-CD2 3.38Å; H419-F434 WeakPolarHBondContact CD2-CD2 3.45Å; H419-F434 AromaticContact NE2-CD2 3.18Å; H419-F434 WeakPolarHBondContact NE2-CD2 3.32Å; H419-F434 AromaticContact NE2-CE2 3.73Å
420Y96.3Very high92.9Very high71 Ų7180.7 Ų80.728%0.27839%0.39SS..EExtended strand (participates in β ladder)trans-119.7124.4171.7-168-103.6000110.1L410 V411 G430 W431L410-Y420 HydrophobicContact CB-CD1 3.97Å; L410-Y420 HydrophobicContact CB-CE1 4.47Å; L410-Y420 HydrophobicContact CD1-CD1 4.11Å; L410-Y420 HydrophobicContact CD1-CE1 3.84Å; L410-Y420 PolarHBondContact N-O 3.1Å; V411-Y420 HydrophobicContact CG2-CD1 4.37Å; V411-Y420 PolarHBondContact N-O 3.12Å; Y420-G430 WeakPolarHBondContact CD2-O 3.32Å; Y420-W431 AromaticContact CD2-CD1 3.71Å; Y420-W431 AromaticContact CD2-CD2 3.63Å; Y420-W431 HydrophobicContact CD2-CD2 3.63Å; Y420-W431 AromaticContact CD2-CE2 3.54Å; Y420-W431 HydrophobicContact CD2-CE3 4.29Å; Y420-W431 AromaticContact CD2-CG 3.74Å; Y420-W431 HydrophobicContact CD2-CG 3.74Å; Y420-W431 HydrophobicContact CD2-CZ2 4.12Å; Y420-W431 AromaticContact CD2-NE1 3.57Å; Y420-W431 AromaticContact CE2-CD1 3.99Å; Y420-W431 HydrophobicContact CE2-CG 4.42Å; Y420-W431 AromaticContact CE2-NE1 3.87Å; Y420-W431 HydrophobicContact CG-CD2 4.26Å; Y420-W431 HydrophobicContact CG-CZ2 4.3Å
421G96.4Very high93Very high0 Ų082.6 Ų82.60%039%0.394CS..EExtended strand (participates in β ladder)trans-155.7176.9-173.100000113.9T408 R429 G430T408-G421 CarbonylContact O-C 3.58Å; T408-G421 WeakPolarHBondContact O-CA 3.25Å; G421-R429 VanDerWaalsContact O-CA 3.3Å; G421-R429 WeakPolarHBondContact O-CA 3.48Å; G421-G430 PolarHBondContact N-O 2.96Å; G421-G430 PolarHBondContact O-N 2.87Å
422E96.9Very high93.3Very high23 Ų2380.4 Ų80.411%0.10738%0.381CS..EExtended strand (participates in β ladder)trans-115123.3175-174.7179.3120.500109.3I407 T408 L410 E424 R427 M428 R429I407-E422 CarbonylContact C-O 3.51Å; I407-E422 WeakPolarHBondContact CA-O 3.44Å; I407-E422 WeakPolarHBondContact CG2-O 3.46Å; T408-E422 PolarHBondContact N-O 3.24Å; T408-E422 PolarHBondContact O-N 3.33Å; L410-E422 HydrophobicContact CD1-CB 4.44Å; E422-E424 PolarHBondContact O-N 3.5Å; E422-R427 WeakPolarHBondContact OE1-CD 3.49Å; E422-R427 IonicContact OE1-NH1 2.65Å; E422-R427 PolarHBondContact OE1-NH1 3.31Å; E422-M428 WeakPolarHBondContact CA-O 3.49Å; E422-R429 HydrophobicContact CB-CG 3.87Å; E422-R429 HydrophobicContact CG-CG 3.91Å; E422-R429 IonicContact OE2-CZ 3.18Å; E422-R429 IonicContact OE2-NE 2.74Å; E422-R429 PolarHBondContact OE2-NE 2.93Å; E422-R429 IonicContact OE2-NH2 2.74Å; E422-R429 PolarHBondContact OE2-NH2 3.19Å
423N95.8Very high94Very high0 Ų076.4 Ų76.40%036%0.355CS..EExtended strand (participates in β ladder)trans-71.5124.4172.3-179.3-29.5000109L399 F401 D405 I407 K425 T426 R427 M428L399-N423 HydrophobicContact CD1-CB 4.11Å; L399-N423 HydrophobicContact CD2-CB 4.23Å; L399-N423 HydrophobicContact CG-CB 4.5Å; F401-N423 VanDerWaalsContact CB-ND2 3.34Å; F401-N423 WeakPolarHBondContact CB-ND2 3.41Å; D405-N423 PolarHBondContact OD2-ND2 3.32Å; I407-N423 HydrophobicContact CG1-CB 4.43Å; N423-K425 VanDerWaalsContact C-N 3.26Å; N423-K425 PolarHBondContact O-N 3.48Å; N423-K425 VanDerWaalsContact OD1-CB 3.31Å; N423-K425 WeakPolarHBondContact OD1-CB 3.35Å; N423-K425 PolarHBondContact OD1-N 2.93Å; N423-T426 WeakPolarHBondContact CB-OG1 3.48Å; N423-T426 PolarHBondContact OD1-N 2.88Å; N423-R427 WeakPolarHBondContact O-CA 3.42Å; N423-R427 PolarHBondContact O-N 3.34Å; N423-M428 PolarHBondContact N-O 2.62Å
424E95.2Very high94.5Very high70 Ų7074.3 Ų74.333%0.32734%0.343SS..THydrogen-bonded Turntrans-66.1-29.4-176.3-67.5-170.5175.900113R383 V406 T408 E422 R427R383-E424 WeakPolarHBondContact CD-OE1 3.48Å; V406-E424 HydrophobicContact CB-CG 4.49Å; V406-E424 HydrophobicContact CG1-CG 4.34Å; V406-E424 WeakPolarHBondContact O-CB 3.23Å; V406-E424 PolarHBondContact O-N 2.99Å; T408-E424 PolarHBondContact OG1-OE1 3.44Å; T408-E424 VanDerWaalsContact OG1-OE1 3.08Å; E422-E424 PolarHBondContact O-N 3.5Å; E424-R427 PolarHBondContact O-NE 3.04Å
425K93.6Very high94.9Very high158 Ų15876.4 Ų76.469%0.68736%0.356SS*.THydrogen-bonded Turntrans-77.2-47-178.8-175-178.9-179.5-179.60112.1D405 N423D405-K425 WeakPolarHBondContact OD1-CD 3.28Å; D405-K425 IonicContact OD1-NZ 3.28Å; N423-K425 VanDerWaalsContact C-N 3.26Å; N423-K425 PolarHBondContact O-N 3.48Å; N423-K425 VanDerWaalsContact OD1-CB 3.31Å; N423-K425 WeakPolarHBondContact OD1-CB 3.35Å; N423-K425 PolarHBondContact OD1-N 2.93Å
426T93.1Very high95.2Very high67 Ų6771.7 Ų71.741%0.41134%0.339SS..THydrogen-bonded Turntrans-97.3-13.6-174.763.80000113.3N423 M428N423-T426 WeakPolarHBondContact CB-OG1 3.48Å; N423-T426 PolarHBondContact OD1-N 2.88Å; T426-M428 PolarHBondContact O-N 3.09Å; T426-M428 PolarHBondContact OG1-N 3.44Å
427R94.6Very high95.5Very high160 Ų16064.5 Ų64.560%0.60430%0.301SS*.  trans58.111.9-172.4-58.5-59.9-168.7151.70.3114.6E422 N423 E424E422-R427 WeakPolarHBondContact OE1-CD 3.49Å; E422-R427 IonicContact OE1-NH1 2.65Å; E422-R427 PolarHBondContact OE1-NH1 3.31Å; N423-R427 WeakPolarHBondContact O-CA 3.42Å; N423-R427 PolarHBondContact O-N 3.34Å; E424-R427 PolarHBondContact O-NE 3.04Å
428M94.1Very high95.7Very high120 Ų12069.5 Ų69.559%0.59131%0.306SS*.  trans-78.1147.1176-62.7-58.7-70.300110L399 E422 N423 T426L399-M428 VanDerWaalsContact CD1-C 3.49Å; L399-M428 HydrophobicContact CD1-CB 3.75Å; L399-M428 WeakPolarHBondContact CD1-O 3.44Å; E422-M428 WeakPolarHBondContact CA-O 3.49Å; N423-M428 PolarHBondContact N-O 2.62Å; T426-M428 PolarHBondContact O-N 3.09Å; T426-M428 PolarHBondContact OG1-N 3.44Å
429R96.1Very high95.5Very high136 Ų13670.9 Ų70.951%0.51332%0.32SS..EExtended strand (participates in β ladder)trans-117.1145.5177.4-64.4176.5179.8164.64.1109.8L410 G421 E422L410-R429 HydrophobicContact CD1-CG 4.07Å; G421-R429 VanDerWaalsContact O-CA 3.3Å; G421-R429 WeakPolarHBondContact O-CA 3.48Å; E422-R429 HydrophobicContact CB-CG 3.87Å; E422-R429 HydrophobicContact CG-CG 3.91Å; E422-R429 IonicContact OE2-CZ 3.18Å; E422-R429 IonicContact OE2-NE 2.74Å; E422-R429 PolarHBondContact OE2-NE 2.93Å; E422-R429 IonicContact OE2-NH2 2.74Å; E422-R429 PolarHBondContact OE2-NH2 3.19Å
430G96.3Very high95.1Very high0 Ų072.6 Ų72.60%033%0.331CS..EExtended strand (participates in β ladder)trans173176.8178.200000112.4T397 Y420 G421T397-G430 CarbonylContact O-C 3.57Å; T397-G430 WeakPolarHBondContact O-CA 3.42Å; Y420-G430 WeakPolarHBondContact CD2-O 3.32Å; G421-G430 PolarHBondContact N-O 2.96Å; G421-G430 PolarHBondContact O-N 2.87Å
431W97.1Very high93.8Very high90 Ų9074.4 Ų74.434%0.34135%0.354SS..EExtended strand (participates in β ladder)trans-82143.3174.4-65.996.5000111.3T397 L398 L399 W418 H419 Y420T397-W431 PolarHBondContact O-N 3.29Å; L398-W431 CarbonylContact C-O 3.39Å; L398-W431 WeakPolarHBondContact CA-O 3.42Å; L398-W431 HydrophobicContact CD2-CB 3.97Å; L399-W431 PolarHBondContact N-O 3.34Å; W418-W431 HydrophobicContact CB-CE3 3.87Å; W418-W431 HydrophobicContact CB-CZ3 4.4Å; W418-W431 HydrophobicContact CE3-CB 4.07Å; H419-W431 CarbonylContact O-C 3.51Å; H419-W431 VanDerWaalsContact O-CA 3.23Å; H419-W431 WeakPolarHBondContact O-CA 3.18Å; Y420-W431 AromaticContact CD2-CD1 3.71Å; Y420-W431 AromaticContact CD2-CD2 3.63Å; Y420-W431 HydrophobicContact CD2-CD2 3.63Å; Y420-W431 AromaticContact CD2-CE2 3.54Å; Y420-W431 HydrophobicContact CD2-CE3 4.29Å; Y420-W431 AromaticContact CD2-CG 3.74Å; Y420-W431 HydrophobicContact CD2-CG 3.74Å; Y420-W431 HydrophobicContact CD2-CZ2 4.12Å; Y420-W431 AromaticContact CD2-NE1 3.57Å; Y420-W431 AromaticContact CE2-CD1 3.99Å; Y420-W431 HydrophobicContact CE2-CG 4.42Å; Y420-W431 AromaticContact CE2-NE1 3.87Å; Y420-W431 HydrophobicContact CG-CD2 4.26Å; Y420-W431 HydrophobicContact CG-CZ2 4.3Å
432F96.8Very high91.7Very high0 Ų081.3 Ų81.30%039%0.386CS..EExtended strand (participates in β ladder)trans-146.8154.817560.5-87.5000112.4V384 L399 F401 I407 L409 W418 H419 F434 T437V384-F432 HydrophobicContact CG2-CE2 4.21Å; V384-F432 HydrophobicContact CG2-CZ 4.04Å; L399-F432 HydrophobicContact CB-CB 4.46Å; L399-F432 HydrophobicContact CB-CD1 4.36Å; L399-F432 HydrophobicContact CD2-CD1 3.88Å; L399-F432 HydrophobicContact CD2-CE1 4.25Å; F401-F432 HydrophobicContact CD1-CB 4.46Å; F401-F432 HydrophobicContact CE1-CB 3.4Å; F401-F432 VanDerWaalsContact CE1-CB 3.4Å; F401-F432 HydrophobicContact CE1-CD2 4.29Å; F401-F432 AromaticContact CE1-CG 3.92Å; F401-F432 HydrophobicContact CE1-CG 3.92Å; F401-F432 HydrophobicContact CZ-CB 3.94Å; F401-F432 HydrophobicContact CZ-CD2 4.27Å; F401-F432 HydrophobicContact CZ-CG 4.34Å; I407-F432 HydrophobicContact CB-CZ 4.45Å; I407-F432 HydrophobicContact CD1-CE1 4.35Å; I407-F432 HydrophobicContact CD1-CE2 4.37Å; I407-F432 HydrophobicContact CD1-CZ 4.25Å; I407-F432 HydrophobicContact CG2-CE1 3.63Å; I407-F432 HydrophobicContact CG2-CZ 3.8Å; L409-F432 HydrophobicContact CD2-CE1 4.4Å; L409-F432 HydrophobicContact CD2-CZ 3.69Å; W418-F432 WeakPolarHBondContact CA-O 3.47Å; H419-F432 HydrophobicContact CB-CD1 4.34Å; H419-F432 HydrophobicContact CB-CD2 4.11Å; H419-F432 HydrophobicContact CB-CE1 3.81Å; H419-F432 HydrophobicContact CB-CE2 3.55Å; H419-F432 HydrophobicContact CB-CG 4.48Å; H419-F432 HydrophobicContact CB-CZ 3.4Å; H419-F432 PolarHBondContact N-O 3.19Å; H419-F432 WeakPolarHBondContact O-CD1 3.34Å; H419-F432 PolarHBondContact O-N 3.16Å; F432-F434 PolarHBondContact O-N 3Å; F432-T437 HydrophobicContact CD2-CG2 3.74Å; F432-T437 HydrophobicContact CE2-CG2 3.45Å; F432-T437 VanDerWaalsContact CE2-CG2 3.45Å; F432-T437 HydrophobicContact CZ-CG2 4.45Å
433P96.5Very high88.9Confident18 Ų1884.3 Ų84.312%0.11741%0.41CS..EExtended strand (participates in β ladder)trans-65.8129.3179.3-18.831.8000111.3W418 S435 Y436W418-P433 HydrophobicContact CE3-CG 4.4Å; W418-P433 HydrophobicContact CH2-CG 4.04Å; W418-P433 HydrophobicContact CZ3-CG 3.87Å; P433-S435 PolarHBondContact O-N 3.33Å; P433-Y436 HydrophobicContact CB-CD1 3.64Å; P433-Y436 HydrophobicContact CB-CE1 4.08Å; P433-Y436 HydrophobicContact CB-CG 4.2Å; P433-Y436 HydrophobicContact CG-CD1 4.06Å; P433-Y436 HydrophobicContact CG-CE1 4.22Å; P433-Y436 HydrophobicContact CG-CG 4.38Å; P433-Y436 WeakPolarHBondContact O-CB 3.45Å; P433-Y436 PolarHBondContact O-N 2.74Å; P433-Y436 VanDerWaalsContact O-N 3.12Å
434F94.6Very high86Confident112 Ų11292 Ų9249%0.49145%0.451SS..G310 helixtrans-55.1-41.4178.1164.3-115.1000112.2A414 G417 H419 F432 Y436 T437A414-F434 HydrophobicContact CB-CB 4.18Å; A414-F434 HydrophobicContact CB-CG 4.4Å; G417-F434 WeakPolarHBondContact O-CB 3.39Å; G417-F434 PolarHBondContact O-N 3.39Å; H419-F434 AromaticContact CD2-CD2 3.38Å; H419-F434 WeakPolarHBondContact CD2-CD2 3.45Å; H419-F434 AromaticContact NE2-CD2 3.18Å; H419-F434 WeakPolarHBondContact NE2-CD2 3.32Å; H419-F434 AromaticContact NE2-CE2 3.73Å; F432-F434 PolarHBondContact O-N 3Å; F434-Y436 PolarHBondContact O-N 3.02Å; F434-T437 PolarHBondContact O-N 3.39Å; F434-T437 VanDerWaalsContact O-N 3.11Å; F434-T437 PolarHBondContact O-OG1 3.1Å
435S95.6Very high83.5Confident83 Ų8392 Ų9258%0.5847%0.471SS*.G310 helixtrans-62.5-11.8-178.552.80000114.7P433 T437P433-S435 PolarHBondContact O-N 3.33Å; S435-T437 VanDerWaalsContact C-N 3.34Å
436Y96.9Very high80.7Confident83 Ų8391.9 Ų91.933%0.32548%0.477SS..G310 helixtrans-90.3-2.1-179.9-78.648.1000112.5A386 V387 F388 S389 H390 P433 F434A386-Y436 CarbonylContact C-O 3.59Å; A386-Y436 WeakPolarHBondContact CA-O 3.36Å; V387-Y436 VanDerWaalsContact CG2-O 3.26Å; V387-Y436 WeakPolarHBondContact CG2-O 3.43Å; V387-Y436 PolarHBondContact N-O 3.42Å; F388-Y436 HydrophobicContact CB-CD2 3.7Å; F388-Y436 HydrophobicContact CB-CE2 4.09Å; F388-Y436 HydrophobicContact CB-CG 4.15Å; F388-Y436 PolarHBondContact N-O 3.15Å; S389-Y436 WeakPolarHBondContact O-CE2 3.44Å; H390-Y436 HydrophobicContact CB-CD2 4.06Å; H390-Y436 HydrophobicContact CB-CE2 4.37Å; P433-Y436 HydrophobicContact CB-CD1 3.64Å; P433-Y436 HydrophobicContact CB-CE1 4.08Å; P433-Y436 HydrophobicContact CB-CG 4.2Å; P433-Y436 HydrophobicContact CG-CD1 4.06Å; P433-Y436 HydrophobicContact CG-CE1 4.22Å; P433-Y436 HydrophobicContact CG-CG 4.38Å; P433-Y436 WeakPolarHBondContact O-CB 3.45Å; P433-Y436 PolarHBondContact O-N 2.74Å; P433-Y436 VanDerWaalsContact O-N 3.12Å; F434-Y436 PolarHBondContact O-N 3.02Å
437T95.8Very high78Confident13 Ų1393.2 Ų93.28%0.0849%0.486CS..EExtended strand (participates in β ladder)trans-135.7154.8-173.165.90000112.4V384 Q385 F401 I407 F432 F434 S435V384-T437 HydrophobicContact CG2-CG2 4.01Å; Q385-T437 CarbonylContact O-C 3.58Å; Q385-T437 VanDerWaalsContact O-CA 3.27Å; Q385-T437 WeakPolarHBondContact O-CA 3.27Å; F401-T437 HydrophobicContact CE2-CG2 4.41Å; F401-T437 HydrophobicContact CZ-CG2 4.39Å; I407-T437 HydrophobicContact CD1-CG2 4.21Å; F432-T437 HydrophobicContact CD2-CG2 3.74Å; F432-T437 HydrophobicContact CE2-CG2 3.45Å; F432-T437 VanDerWaalsContact CE2-CG2 3.45Å; F432-T437 HydrophobicContact CZ-CG2 4.45Å; F434-T437 PolarHBondContact O-N 3.39Å; F434-T437 VanDerWaalsContact O-N 3.11Å; F434-T437 PolarHBondContact O-OG1 3.1Å; S435-T437 VanDerWaalsContact C-N 3.34Å
438R94.8Very high75.4Confident148 Ų14894.5 Ų94.556%0.55850%0.5SS*.EExtended strand (participates in β ladder)trans-127.1146.6175.267.6-179.7-178.5179.81.9110.6V384 Q385 V387 V440V384-R438 CarbonylContact C-O 3.55Å; V384-R438 WeakPolarHBondContact CA-O 3.38Å; V384-R438 WeakPolarHBondContact CB-O 3.25Å; Q385-R438 HydrophobicContact CB-CG 4.33Å; Q385-R438 PolarHBondContact N-O 3.04Å; Q385-R438 PolarHBondContact O-N 3.39Å; V387-R438 HydrophobicContact CG1-CB 4.13Å; V387-R438 HydrophobicContact CG1-CG 3.76Å; R438-V440 PolarHBondContact O-N 2.97Å
439L92.9Very high72.8Confident125 Ų125100.6 Ų100.665%0.65452%0.517SS*.EExtended strand (participates in β ladder)trans-60.9135176.9-73.8166.2000111.8T382 V384T382-L439 HydrophobicContact CG2-CD2 3.21Å; V384-L439 HydrophobicContact CG1-CD2 3.85Å; V384-L439 HydrophobicContact CG1-CG 4.43Å
440V88.9Confident69.9Low48 Ų48101.7 Ų101.729%0.29153%0.528SS..  trans-95.8107.3173-178.50000108.1R383 Q385 R438R383-V440 HydrophobicContact CB-CB 4.27Å; R383-V440 PolarHBondContact O-N 3.36Å; Q385-V440 HydrophobicContact CB-CG2 3.45Å; Q385-V440 VanDerWaalsContact CB-CG2 3.45Å; R438-V440 PolarHBondContact O-N 2.97Å
441S68.2Low66.8Low108 Ų108108.8 Ų108.876%0.75557%0.565SS**  trans-76.2127.4163.8-81.10000109S443S441-S443 PolarHBondContact O-N 3.45Å; S441-S443 VanDerWaalsContact O-N 3.09Å
442E51.8Low63.8Low145 Ų145116.3 Ų116.368%0.67859%0.593SS**  trans-66.5107.3162.7-74-169.2142.600108.4R383R383-E442 IonicContact CZ-OE1 3.93Å; R383-E442 IonicContact NH1-OE1 3.78Å; R383-E442 IonicContact NH2-OE1 2.71Å; R383-E442 PolarHBondContact NH2-OE1 2.86Å; R383-E442 IonicContact NH2-OE2 3.43Å
443S38.9Very low61Low86 Ų86121.5 Ų121.560%0.60163%0.625SS**  trans-138.6112.1165.9-178.10000106.5S441 G445S441-S443 PolarHBondContact O-N 3.45Å; S441-S443 VanDerWaalsContact O-N 3.09Å; S443-G445 PolarHBondContact O-N 3.08Å
444N35.7Very low57.9Low161 Ų161127 Ų12786%0.86165%0.649SS**  trans-52.3124.6168.9-75.3-9.1000107.8D446N444-D446 PolarHBondContact O-N 3.49Å
445G40.8Very low54.7Low72 Ų72128 Ų12874%0.74266%0.659SS**SBendtrans-61.4107.7-171.600000112S443S443-G445 PolarHBondContact O-N 3.08Å
446D36.5Very low51.5Low154 Ų154131.9 Ų131.982%0.82467%0.672SS**  trans-170.489.4136.1-102.4-20.9000108.5N444N444-D446 PolarHBondContact O-N 3.49Å
447T35.8Very low48.4Very low96 Ų96136.6 Ų136.659%0.58970%0.697SS**  trans176.658.8158.829.30000109.4R449T447-R449 PolarHBondContact O-N 3.24Å
448M40.6Very low45.2Very low186 Ų186145.4 Ų145.492%0.91674%0.737SS**THydrogen-bonded Turntrans-76.671.5167.3-157.6-127.2-85.600109.3
449R38.9Very low42Very low249 Ų249142 Ų14294%0.9475%0.748SS**THydrogen-bonded Turntrans-174.3-1.3162.5-107.3164.7-162.8-160.25116.5T447T447-R449 PolarHBondContact O-N 3.24Å
450Q35.4Very low39.3Very low159 Ų159145.8 Ų145.874%0.74376%0.759SS**SBendtrans-141.9115.3178.9-121.1172.1-2000107.3
451L31.3Very low36.4Very low149 Ų149149.7 Ų149.778%0.7879%0.788SS**  trans148.867163-79162.7000108.4
452R34.3Very low34.5Very low247 Ų247150.1 Ų150.193%0.93279%0.791SS**SBendtrans-110.339.6165-134.3-170-160.2165.45.6109.3
453V38Very low33.4Very low110 Ų110148.8 Ų148.867%0.66780%0.798SS**  trans-168.9139.3179.1-114.90000107.3
454H29.4Very low33.3Very low134 Ų134151.1 Ų151.162%0.6281%0.809SS**  trans88.9119.5-173.1-61.9-76.2000113.6
455N28.4Very low33Very low132 Ų132147.2 Ų147.271%0.70681%0.807SS**  cis-161.4153.228.3-102.4-11.3000113.8
456L29Very low32.9Very low164 Ų164151.1 Ų151.186%0.85981%0.811SS**  trans-146.3101.6135.4-143.184.4000108.7
457H30.5Very low32.6Very low182 Ų182151.7 Ų151.784%0.84381%0.813SS**  trans-149121.7160.5-88.978.5000107.5
458H29.2Very low32.6Very low199 Ų199154.2 Ų154.292%0.92182%0.822SS**  trans-97128.3166.3-102.670.3000108.3
459G27.6Very low32.2Very low76 Ų76154.5 Ų154.578%0.78482%0.821SS**  trans-177.388.4177.400000113.6
460K35.3Very low32Very low204 Ų204153.1 Ų153.189%0.88782%0.816SS**  trans-2.8128.1162.7-54.2173.4-177.8177.60118.1
461S29.3Very low31.8Very low130 Ų130155 Ų15591%0.90983%0.825SS**  -171.4143.5124.7-82.10000112.6
462S28.7Very low31.9Very low117 Ų117154.5 Ų154.582%0.81882%0.823SS**  trans-90140.1177.51750000110.3
463S28.7Very low31.8Very low118 Ų118151 Ų15183%0.82582%0.819SS**  trans-166.3137.1140.6-1640000111.5
464T35.5Very low31.9Very low134 Ų134150.9 Ų150.982%0.82282%0.821SS**  trans-77.7147.5-177.346.40000113.4
465G29.7Very low32.2Very low80 Ų80152.4 Ų152.483%0.82583%0.833SS**  trans168.894161.600000113.9
466N38.1Very low32.6Very low154 Ų154151.8 Ų151.882%0.82484%0.836SS**  trans-72.3138.2174-134.822.9000110.4
467L31.4Very low33.5Very low165 Ų165146.9 Ų146.986%0.86483%0.825SS**  trans-158.7117.9139-152.865.7000110.7
468L35.8Very low34.2Very low149 Ų149144.5 Ų144.578%0.7883%0.826SS**  trans-65133.3166.8-67.8159.9000108.7
469E31.3Very low34.5Very low193 Ų193142 Ų14290%0.90282%0.819SS**  trans-160133138.4-111164.1-163.800109.9
470R34.8Very low35.2Very low219 Ų219149.7 Ų149.783%0.82683%0.826SS**  trans-119.3116.3-166.9172.4-170.3-176.5170.62.7104.9
471E30.7Very low35.1Very low198 Ų198142.9 Ų142.993%0.92581%0.814SS**  trans-140.2116.8162.5-74.5-160.2143.400110.5
472D33.2Very low35.3Very low140 Ų140142.5 Ų142.575%0.74981%0.806SS**  trans-81127.7170.6-71.5-60.3000109
473M34Very low35.5Very low173 Ų173145.7 Ų145.785%0.85280%0.8SS**  trans-139.3126.6162.4-161.978.2-132.700109.9
474P38.9Very low35.7Very low107 Ų107147 Ų14770%0.69580%0.803SS**PPolyproline II helixtrans-84.5143.5-172.733.6-30.6000112.2
475L36.1Very low35.7Very low167 Ų167149.3 Ų149.387%0.87480%0.797SS**PPolyproline II helixtrans-90.2146.2167.9-71.8166.6000110.2
476P37.3Very low35.8Very low118 Ų118153.4 Ų153.477%0.76680%0.797SS**PPolyproline II helixtrans-76.7143.5-18031.9-32.1000111.1
477G46.9Very low35.5Very low61 Ų61151.3 Ų151.363%0.62979%0.794SS**PPolyproline II helixtrans-72.2146172.700000111.6D479G477-D479 PolarHBondContact O-N 3.49Å
478P45.5Very low35.5Very low133 Ų133146.9 Ų146.986%0.86478%0.781SS**PPolyproline II helixtrans-77.2119.1175.925.5-25.6000111.4
479D34.8Very low35.2Very low146 Ų146148.4 Ų148.478%0.78178%0.784SS**PPolyproline II helixtrans-67.1126.4165.6-73.7-43.7000111.1G477G477-D479 PolarHBondContact O-N 3.49Å
480Y42.6Very low35.2Very low238 Ų238143.5 Ų143.593%0.93377%0.771SS**  trans-154.2100.5141.1-90-71.7000109.4
481G33Very low35Very low61 Ų61139.7 Ų139.763%0.62977%0.773SS**  trans-83.1170.5148.800000109.8
482T35.1Very low35Very low121 Ų121134 Ų13474%0.74276%0.759SS**  cis-168.2142.212.5-490000108.7
483R32.7Very low34.9Very low185 Ų185133.2 Ų133.270%0.69876%0.76SS**  trans65.7131.5145.8-81173.7-168-178.20.7122
484T32.3Very low34.7Very low145 Ų145131.5 Ų131.589%0.8975%0.753SS**  -139.6129.598-54.60000110.1
485R34.7Very low34.3Very low182 Ų182134.3 Ų134.369%0.68776%0.757SS**  trans-82154.3173.7-89.7177.5169.6171.2-4.6109.7
486M33.2Very low33.8Very low167 Ų167137 Ų13782%0.82376%0.755SS**  -172.3107.2115-77.5-108.593.800106
487S32Very low33.4Very low109 Ų109138.6 Ų138.676%0.76275%0.753SS**  58126.6100.3-150.10000112.7
488A30.5Very low32.5Very low72 Ų72143.9 Ų143.960%0.59576%0.761SS**  cis-159.7154.733.800000112.4
489Q30.4Very low31.9Very low181 Ų181149.4 Ų149.485%0.84677%0.765SS**  trans41.9142.7131.7-64.6172.9-13.500119.9
490S31.6Very low32Very low90 Ų90147.2 Ų147.263%0.62976%0.758SS**  cis178.2147.8-2-90.70000105.6
491T29.5Very low31.3Very low140 Ų140146.5 Ų146.586%0.85976%0.755SS**  trans57.9145.5149.157.30000119.6
492A30.9Very low31.2Very low78 Ų78148.9 Ų148.965%0.64576%0.762SS**  cis-173.8166-15.100000106.1
493T30.6Very low31.1Very low123 Ų123149.6 Ų149.676%0.75577%0.766SS**  trans72.9110.6154.857.50000122.5
494L30.5Very low31Very low137 Ų137145.5 Ų145.572%0.71777%0.772SS**  67.3118.9119.5-70.3154.3000122.3
495H29.8Very low31.1Very low166 Ų166145 Ų14577%0.76977%0.769SS**  trans76.7115.4139.3-73.4-46.7000121.8
496R26.2Very low31.1Very low223 Ų223142.5 Ų142.584%0.84278%0.776SS**  77.4108.1121.4-155.9-172.2-158.6-179.25.1117.2
497Q29.6Very low30.9Very low153 Ų153137.3 Ų137.372%0.71577%0.765SS**  166.2125.2119.5-90-174.9-9.200110.6
498Q28Very low30.8Very low171 Ų171141.3 Ų141.380%0.79977%0.769SS**  64.2115.8115-64.7-176.6-9.600116.3
499R31.7Very low31.5Very low250 Ų250144 Ų14494%0.94378%0.781SS**  trans-99.8133.6161.9-71.1-173.3-177-162.71109.4
500P37.5Very low31.7Very low99 Ų99143.6 Ų143.664%0.64378%0.779SS**  trans-107.7150.4147.134.2-23.2000109.9
501Y28.2Very low31.6Very low224 Ų224149 Ų14988%0.87879%0.794SS**  168.5122.4128.7-93.6-71000111
502S31.2Very low31.5Very low110 Ų110145.7 Ų145.777%0.76979%0.788SS**  trans-84146.5158.1-56.40000109.8
503V31.3Very low31.4Very low136 Ų136148.6 Ų148.682%0.82480%0.798SS**  trans-166.9114.7147.6-86.60000106.4
504A31.3Very low31.3Very low99 Ų99150.9 Ų150.982%0.81880%0.8SS**  78.1124.678.100000114
505V33.8Very low31.2Very low136 Ų136152.8 Ų152.882%0.82481%0.805SS**  trans-84.2154.3-178.5174.60000111.2
506P36.4Very low31.2Very low128 Ų128155.3 Ų155.383%0.83181%0.809SS**  -137.6153.5128.426-7.6000111
507G28.3Very low31.5Very low59 Ų59152.4 Ų152.461%0.60881%0.805SS**  cis129.185.112.800000112
508F30.6Very low32Very low193 Ų193148.9 Ų148.985%0.84680%0.795SS**  trans64.6163.5156.1-74.3-80.2000121.1
509P45Very low32.1Very low129 Ų129150 Ų15084%0.83879%0.792SS**  cis-133.1-178.91638-16.2000118.4
510Q33.2Very low32Very low172 Ų172146.6 Ų146.680%0.80479%0.785SS**  trans-100.2140.6-169.9-179.1175.810.600112.3
511Q30.2Very low32.1Very low202 Ų202147.4 Ų147.494%0.94479%0.79SS**  trans-158.8144.1158-108.8174.3-6.600109.1
512G27.6Very low32.2Very low71 Ų71143.4 Ų143.473%0.73279%0.789SS**  trans-114.8-167.8-166.500000116.6
513V28.4Very low32.3Very low140 Ų140143.8 Ų143.885%0.84879%0.791SS**  trans84.4120.4166.4-1600000116.9
514E28.9Very low32.2Very low171 Ų171143 Ų14380%0.79979%0.792SS**  140.9119.1128.1-125.5164.6-146.900115.5
515E28.5Very low32.3Very low177 Ų177143.6 Ų143.683%0.82779%0.79SS**  trans20.8122.9153.7-76.7177.1152.100122.2
516Y29.4Very low32.3Very low218 Ų218146.6 Ų146.686%0.85580%0.795SS**  trans-161.9110130.3-149.9-102.3000111.5
517E32.5Very low32.3Very low163 Ų163146.8 Ų146.876%0.76279%0.794SS**  trans-96.6157.2151.1-129.4-137.9164.700106.6
518P40Very low32.6Very low78 Ų78153.3 Ų153.351%0.50681%0.806SS.*  -159.7174.762.745.3-24.2000118.6
519R30.5Very low32.7Very low195 Ų195152.4 Ų152.474%0.73681%0.808SS**  trans95.2110.7142-82176-157.6-178.812122.4
520F29.7Very low32.3Very low179 Ų179153.7 Ų153.779%0.78581%0.807SS**  101.8147.7124-79.6-44.3000120.8
521P38.5Very low32.4Very low115 Ų115150.7 Ų150.775%0.74781%0.805SS**  -124.1163.7-119.440.1-25.2000114.8
522T31Very low32.8Very low141 Ų141147.3 Ų147.387%0.86580%0.798SS**PPolyproline II helixtrans-90.4122173.649.80000111.5
523S32.3Very low33.4Very low117 Ų117154 Ų15482%0.81882%0.824SS**PPolyproline II helixtrans-83.6121.3171.765.20000111.6
524S31Very low33.6Very low119 Ų119154.7 Ų154.783%0.83282%0.823SS**PPolyproline II helixtrans-94.3122.9163.355.60000109.7
525S33.4Very low33.8Very low113 Ų113153.8 Ų153.879%0.7982%0.824SS**  trans-101.9101.7172.224.60000110.4
526E32Very low34.1Very low198 Ų198152.5 Ų152.593%0.92582%0.824SS**  trans-92.9120.9162-129.3-176.8172.800107.6
527V37.2Very low34.4Very low132 Ų132148.6 Ų148.680%0.882%0.822SS**  trans-110.2109174.5176.70000108.6
528K35.8Very low34.5Very low197 Ų197147.8 Ų147.886%0.85783%0.826SS**  trans-76.5125.7163.4-94.1176.9175.1172.70109.6
529L32.6Very low34.2Very low173 Ų173152.4 Ų152.491%0.90685%0.847SS**  trans-75.5128.4163.7-90148000109.8
530I35.5Very low34.4Very low157 Ų157149.4 Ų149.481%0.80586%0.855SS**  trans-117.9134.7161.8-68.3177.1000107.6
531S35.6Very low34.8Very low109 Ų109147.1 Ų147.176%0.76286%0.86SS**  trans-96.6132.4179.81720000111
532T37.6Very low34.5Very low131 Ų131149.8 Ų149.880%0.80487%0.87SS**  trans161.9131.914615.40000105.9
533V40Very low34.8Very low210 Ų210150.5 Ų150.5100%1.27387%0.87SS**  cis-145034.1171.30000109

Retrieved 533 of 533 residues in 567.6 ms (Link to these results)

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