A0A087YIB2_POEFO Loading...

BCL2 like 15

AlphaFold DB , UniProt , Accession A0A087YIB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 158 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.6Very low73.9Confident241 Ų24172.5 Ų72.5100%1.18741%0.407SS*.  0125.50-105.6154.2163.900106
2A52.3Low74.8Confident87 Ų8766.6 Ų66.672%0.71937%0.374SS*.  trans-64136.517600000108.9N4A2-N4 PolarHBondContact O-N 3.11Å
3P61.1Low75.6Confident41 Ų4161.5 Ų61.527%0.26635%0.345SS..  trans-60.8128.8177.125.9-33.4000108.6I5P3-I5 HydrophobicContact CB-CD1 3.87Å; P3-I5 HydrophobicContact CG-CD1 3.72Å; P3-I5 PolarHBondContact O-N 2.93Å
4N78.3Confident76.2Confident109 Ų10963.2 Ų63.258%0.58335%0.347SS*.  trans-76.380178.4-165.7-31.5000108.6A2 K6 A7 Q8A2-N4 PolarHBondContact O-N 3.11Å; N4-K6 PolarHBondContact O-N 3.13Å; N4-A7 HydrophobicContact CB-CB 4.2Å; N4-A7 PolarHBondContact O-N 3.24Å; N4-A7 PolarHBondContact OD1-N 3.14Å; N4-Q8 WeakPolarHBondContact O-CG 3.5Å; N4-Q8 PolarHBondContact O-N 3.07Å
5I82.1Confident76.6Confident8 Ų862.1 Ų62.14%0.04134%0.336CS..Hα-helixtrans-53.4-30.8-173.3-55.3-52000111.7P3 Q8 T9 S144 V147 D148P3-I5 HydrophobicContact CB-CD1 3.87Å; P3-I5 HydrophobicContact CG-CD1 3.72Å; P3-I5 PolarHBondContact O-N 2.93Å; I5-Q8 PolarHBondContact O-N 3.22Å; I5-T9 VanDerWaalsContact O-CB 3.32Å; I5-T9 WeakPolarHBondContact O-CB 3.38Å; I5-T9 PolarHBondContact O-N 3.06Å; I5-T9 PolarHBondContact O-OG1 3.36Å; I5-S144 WeakPolarHBondContact CG2-OG 3.2Å; I5-V147 HydrophobicContact CD1-CG1 4.09Å; I5-V147 HydrophobicContact CG2-CB 4.01Å; I5-V147 HydrophobicContact CG2-CG1 3.92Å; I5-D148 HydrophobicContact CG1-CB 4.03Å
6K81.3Confident77Confident111 Ų11158.2 Ų58.248%0.48332%0.315SS..Hα-helixtrans-63.5-56.3174.8-174.6174.6174.5-168.60112.9N4 Q8 T9 E10 N140N4-K6 PolarHBondContact O-N 3.13Å; K6-Q8 PolarHBondContact O-N 3.25Å; K6-T9 PolarHBondContact O-N 3.38Å; K6-T9 VanDerWaalsContact O-N 3.17Å; K6-E10 WeakPolarHBondContact O-CG 3.48Å; K6-E10 PolarHBondContact O-N 3.39Å; K6-N140 WeakPolarHBondContact CA-ND2 3.5Å; K6-N140 VanDerWaalsContact CB-ND2 3.27Å; K6-N140 WeakPolarHBondContact CB-ND2 3.46Å; K6-N140 WeakPolarHBondContact CG-ND2 3.31Å
7A80.8Confident77.2Confident44 Ų4454.8 Ų54.836%0.36430%0.297SS..Hα-helixtrans-59.9-36176.100000112.1N4 S11N4-A7 HydrophobicContact CB-CB 4.2Å; N4-A7 PolarHBondContact O-N 3.24Å; N4-A7 PolarHBondContact OD1-N 3.14Å; A7-S11 WeakPolarHBondContact O-CB 3.44Å; A7-S11 PolarHBondContact O-N 2.88Å; A7-S11 PolarHBondContact O-OG 3.43Å
8Q81Confident77.2Confident20 Ų2051.9 Ų51.99%0.09328%0.281CS..Hα-helixtrans-64.1-47.8175.3-69.3-171.5-3300112N4 I5 K6 E10 S11 V12 F43N4-Q8 WeakPolarHBondContact O-CG 3.5Å; N4-Q8 PolarHBondContact O-N 3.07Å; I5-Q8 PolarHBondContact O-N 3.22Å; K6-Q8 PolarHBondContact O-N 3.25Å; Q8-E10 PolarHBondContact O-N 3.06Å; Q8-S11 WeakPolarHBondContact O-CB 3.36Å; Q8-S11 PolarHBondContact O-N 3.34Å; Q8-V12 WeakPolarHBondContact O-CG2 3.34Å; Q8-V12 PolarHBondContact O-N 3.01Å; Q8-F43 HydrophobicContact CB-CE1 3.89Å; Q8-F43 HydrophobicContact CB-CE2 3.82Å; Q8-F43 HydrophobicContact CB-CZ 3.39Å; Q8-F43 HydrophobicContact CG-CD1 3.91Å; Q8-F43 HydrophobicContact CG-CD2 4.29Å; Q8-F43 HydrophobicContact CG-CE1 3.53Å; Q8-F43 HydrophobicContact CG-CE2 3.93Å; Q8-F43 HydrophobicContact CG-CG 4.28Å; Q8-F43 HydrophobicContact CG-CZ 3.54Å
9T84.5Confident76.4Confident0 Ų053 Ų530%029%0.287CS..Hα-helixtrans-61.4-45.6179.6-54.30000110.9I5 K6 S11 V12 V13 L139 W153I5-T9 VanDerWaalsContact O-CB 3.32Å; I5-T9 WeakPolarHBondContact O-CB 3.38Å; I5-T9 PolarHBondContact O-N 3.06Å; I5-T9 PolarHBondContact O-OG1 3.36Å; K6-T9 PolarHBondContact O-N 3.38Å; K6-T9 VanDerWaalsContact O-N 3.17Å; T9-S11 VanDerWaalsContact C-N 3.29Å; T9-S11 PolarHBondContact O-N 3.05Å; T9-V12 PolarHBondContact O-N 3.13Å; T9-V13 HydrophobicContact CG2-CG2 4.34Å; T9-V13 WeakPolarHBondContact O-CB 3.19Å; T9-V13 VanDerWaalsContact O-CG2 3.24Å; T9-V13 WeakPolarHBondContact O-CG2 2.93Å; T9-V13 PolarHBondContact O-N 2.95Å; T9-L139 HydrophobicContact CG2-CB 3.61Å; T9-L139 HydrophobicContact CG2-CD1 4.25Å; T9-W153 HydrophobicContact CG2-CZ2 4.04Å; T9-W153 PolarHBondContact OG1-NE1 3.42Å
10E83.3Confident75.3Confident93 Ų9358.9 Ų58.944%0.43531%0.313SS..Hα-helixtrans-60.7-40.3176.9-69.3-179.89700111.5K6 Q8 F14K6-E10 WeakPolarHBondContact O-CG 3.48Å; K6-E10 PolarHBondContact O-N 3.39Å; Q8-E10 PolarHBondContact O-N 3.06Å; E10-F14 VanDerWaalsContact O-CB 3.28Å; E10-F14 WeakPolarHBondContact O-CB 3.29Å; E10-F14 PolarHBondContact O-N 3.27Å
11S83.3Confident74Confident44 Ų4462.5 Ų62.531%0.30833%0.332SS..Hα-helixtrans-66.2-47176.7-56.60000111.9A7 Q8 T9 V13 F14 Y15A7-S11 WeakPolarHBondContact O-CB 3.44Å; A7-S11 PolarHBondContact O-N 2.88Å; A7-S11 PolarHBondContact O-OG 3.43Å; Q8-S11 WeakPolarHBondContact O-CB 3.36Å; Q8-S11 PolarHBondContact O-N 3.34Å; T9-S11 VanDerWaalsContact C-N 3.29Å; T9-S11 PolarHBondContact O-N 3.05Å; S11-V13 PolarHBondContact O-N 2.86Å; S11-F14 WeakPolarHBondContact O-CB 3.35Å; S11-F14 PolarHBondContact O-N 2.94Å; S11-Y15 WeakPolarHBondContact O-CD2 3.11Å; S11-Y15 PolarHBondContact O-N 3.43Å
12V84.8Confident74.2Confident1 Ų155.1 Ų55.11%0.00630%0.295CS..Hα-helixtrans-60-47.3177.9169.70000110.7Q8 T9 F14 Y15 L16 F43 P45 I48 L52Q8-V12 WeakPolarHBondContact O-CG2 3.34Å; Q8-V12 PolarHBondContact O-N 3.01Å; T9-V12 PolarHBondContact O-N 3.13Å; V12-F14 VanDerWaalsContact C-N 3.3Å; V12-F14 PolarHBondContact O-N 3.04Å; V12-Y15 PolarHBondContact O-N 3.16Å; V12-L16 WeakPolarHBondContact O-CB 3.35Å; V12-L16 PolarHBondContact O-N 2.76Å; V12-F43 HydrophobicContact CG2-CE2 4.02Å; V12-F43 HydrophobicContact CG2-CZ 3.92Å; V12-P45 HydrophobicContact CG2-CB 4.08Å; V12-I48 HydrophobicContact CG1-CG2 3.82Å; V12-I48 HydrophobicContact CG2-CB 4.14Å; V12-I48 HydrophobicContact CG2-CD1 4.48Å; V12-I48 HydrophobicContact CG2-CG2 3.87Å; V12-L52 HydrophobicContact CG1-CD1 3.52Å
13V85.6Confident73.9Confident1 Ų152 Ų521%0.00627%0.268CS..Hα-helixtrans-64.8-36.6178.8174.70000111.1T9 S11 L16 L17 M132 M135 S136 L139T9-V13 HydrophobicContact CG2-CG2 4.34Å; T9-V13 WeakPolarHBondContact O-CB 3.19Å; T9-V13 VanDerWaalsContact O-CG2 3.24Å; T9-V13 WeakPolarHBondContact O-CG2 2.93Å; T9-V13 PolarHBondContact O-N 2.95Å; S11-V13 PolarHBondContact O-N 2.86Å; V13-L16 PolarHBondContact O-N 3.36Å; V13-L17 HydrophobicContact CG1-CD1 3.94Å; V13-L17 PolarHBondContact O-N 3.15Å; V13-L17 VanDerWaalsContact O-N 3.14Å; V13-M132 HydrophobicContact CG1-CG 3.8Å; V13-M135 HydrophobicContact CG1-CB 4.16Å; V13-M135 HydrophobicContact CG1-CG 4.12Å; V13-M135 HydrophobicContact CG1-SD 4.07Å; V13-M135 HydrophobicContact CG2-CE 4.24Å; V13-M135 HydrophobicContact CG2-CG 4.09Å; V13-M135 HydrophobicContact CG2-SD 4.34Å; V13-S136 WeakPolarHBondContact CB-OG 3.46Å; V13-S136 WeakPolarHBondContact CG1-OG 3.4Å; V13-L139 HydrophobicContact CG2-CD1 3.78Å
14F83.5Confident73Confident85 Ų8555.9 Ų55.937%0.37329%0.286SS..Hα-helixtrans-57.6-57.9172-175.9-78.3000111.1E10 S11 V12 L16 L17 A18 M132E10-F14 VanDerWaalsContact O-CB 3.28Å; E10-F14 WeakPolarHBondContact O-CB 3.29Å; E10-F14 PolarHBondContact O-N 3.27Å; S11-F14 WeakPolarHBondContact O-CB 3.35Å; S11-F14 PolarHBondContact O-N 2.94Å; V12-F14 VanDerWaalsContact C-N 3.3Å; V12-F14 PolarHBondContact O-N 3.04Å; F14-L16 VanDerWaalsContact C-N 3.27Å; F14-L16 PolarHBondContact O-N 3.38Å; F14-L17 PolarHBondContact O-N 2.77Å; F14-A18 HydrophobicContact CD1-CB 4.29Å; F14-A18 HydrophobicContact CE1-CB 4.11Å; F14-A18 WeakPolarHBondContact O-CA 3.45Å; F14-A18 WeakPolarHBondContact O-CB 3.44Å; F14-A18 PolarHBondContact O-N 3.48Å; F14-M132 HydrophobicContact CB-CE 3.38Å; F14-M132 HydrophobicContact CD2-CE 3.42Å; F14-M132 VanDerWaalsContact CD2-CE 3.42Å; F14-M132 HydrophobicContact CD2-SD 4.48Å; F14-M132 HydrophobicContact CE2-CE 4.45Å; F14-M132 HydrophobicContact CG-CE 3.77Å
15Y82.8Confident71.4Confident46 Ų4661.4 Ų61.418%0.1830%0.299CS..Hα-helixtrans-66.1-29.4-178.1-76.7-72.4000113.5S11 V12 P45 V46 R53S11-Y15 WeakPolarHBondContact O-CD2 3.11Å; S11-Y15 PolarHBondContact O-N 3.43Å; V12-Y15 PolarHBondContact O-N 3.16Å; Y15-P45 HydrophobicContact CD2-CB 3.94Å; Y15-P45 HydrophobicContact CD2-CG 4.05Å; Y15-P45 HydrophobicContact CE2-CB 4.33Å; Y15-P45 HydrophobicContact CE2-CG 3.94Å; Y15-V46 HydrophobicContact CD1-CG2 3.78Å; Y15-V46 HydrophobicContact CD2-CG2 4.19Å; Y15-V46 HydrophobicContact CE1-CG2 3.8Å; Y15-V46 HydrophobicContact CE2-CG2 4.22Å; Y15-V46 HydrophobicContact CG-CG2 3.99Å; Y15-R53 PolarHBondContact O-NH2 3.05Å
16L83Confident69.6Low0 Ų064.6 Ų64.60%032%0.321CS..Hα-helixtrans-64.1-47.4177-179.375.5000111.4V12 V13 F14 A49 L52 R53 V114 M135V12-L16 WeakPolarHBondContact O-CB 3.35Å; V12-L16 PolarHBondContact O-N 2.76Å; V13-L16 PolarHBondContact O-N 3.36Å; F14-L16 VanDerWaalsContact C-N 3.27Å; F14-L16 PolarHBondContact O-N 3.38Å; L16-A49 HydrophobicContact CB-CB 4.1Å; L16-A49 VanDerWaalsContact CD1-O 3.25Å; L16-A49 WeakPolarHBondContact CD1-O 3.28Å; L16-L52 HydrophobicContact CD1-CB 3.85Å; L16-R53 HydrophobicContact CD1-CB 4.05Å; L16-R53 PolarHBondContact O-NH2 3.46Å; L16-V114 HydrophobicContact CD1-CG1 3.93Å; L16-V114 HydrophobicContact CD2-CB 4.23Å; L16-V114 HydrophobicContact CD2-CG1 3.93Å; L16-V114 HydrophobicContact CD2-CG2 3.82Å; L16-V114 HydrophobicContact CG-CG1 4.49Å; L16-M135 HydrophobicContact CD2-CE 3.48Å; L16-M135 VanDerWaalsContact CD2-CE 3.48Å; L16-M135 HydrophobicContact CD2-SD 4.09Å
17L80.6Confident67.9Low1 Ų166.8 Ų66.81%0.00533%0.328CS..Hα-helixtrans-93.4-18.4-175.1-66.9169.1000113.2V13 F14 G117 K121 K128 V131 M132 M135V13-L17 HydrophobicContact CG1-CD1 3.94Å; V13-L17 PolarHBondContact O-N 3.15Å; V13-L17 VanDerWaalsContact O-N 3.14Å; F14-L17 PolarHBondContact O-N 2.77Å; L17-G117 WeakPolarHBondContact CD2-O 3.2Å; L17-K121 HydrophobicContact CD2-CB 4.08Å; L17-K121 HydrophobicContact CD2-CD 4.36Å; L17-K121 WeakPolarHBondContact O-CD 3.22Å; L17-K121 WeakPolarHBondContact O-CE 3.47Å; L17-K121 PolarHBondContact O-NZ 3.27Å; L17-K128 WeakPolarHBondContact O-CE 3.34Å; L17-V131 HydrophobicContact CD1-CG1 4.48Å; L17-M132 HydrophobicContact CD1-CB 3.77Å; L17-M132 HydrophobicContact CD1-CG 3.98Å; L17-M135 HydrophobicContact CD1-SD 4.29Å
18A76.1Confident66Low2 Ų267.6 Ų67.62%0.01734%0.341CS..SBendtrans-53.7145.9173.200000111F14 E22 K121F14-A18 HydrophobicContact CD1-CB 4.29Å; F14-A18 HydrophobicContact CE1-CB 4.11Å; F14-A18 WeakPolarHBondContact O-CA 3.45Å; F14-A18 WeakPolarHBondContact O-CB 3.44Å; F14-A18 PolarHBondContact O-N 3.48Å; A18-E22 HydrophobicContact CB-CB 4.08Å; A18-K121 PolarHBondContact O-NZ 3.19Å
19D63.6Low64.1Low73 Ų7375.1 Ų75.139%0.3938%0.376SS..  trans-76.5156.1173-77.6-77.2000110.4D21 E22 C23 K121 K128D19-D21 PolarHBondContact O-N 2.74Å; D19-D21 VanDerWaalsContact O-N 3.16Å; D19-E22 WeakPolarHBondContact O-CA 3.05Å; D19-E22 WeakPolarHBondContact O-CB 3.39Å; D19-E22 PolarHBondContact O-N 3.19Å; D19-C23 PolarHBondContact O-N 3.31Å; D19-C23 VanDerWaalsContact O-N 3.17Å; D19-K121 IonicContact OD1-NZ 3.28Å; D19-K128 IonicContact OD2-NZ 2.7Å; D19-K128 PolarHBondContact OD2-NZ 2.88Å
20E53.6Low62.4Low170 Ų17081.1 Ų81.179%0.79441%0.412SS*.Hα-helixtrans-56.9-32.1-177.1-67.9174.783.600111.5C23 N24E20-C23 PolarHBondContact O-N 3.2Å; E20-N24 WeakPolarHBondContact O-CB 3.44Å; E20-N24 PolarHBondContact O-N 3.21Å
21D47.5Very low60.6Low135 Ų13584.9 Ų84.972%0.72243%0.429SS*.Hα-helixtrans-65.1-33.4171.8-92.5-93.8000114.4D19 R25D19-D21 PolarHBondContact O-N 2.74Å; D19-D21 VanDerWaalsContact O-N 3.16Å; D21-R25 PolarHBondContact O-N 3.36Å
22E50Low58.5Low86 Ų8688.3 Ų88.340%0.40245%0.451SS..Hα-helixtrans-75.1-34.6175.9-81.8174.979.400111.3A18 D19 K128A18-E22 HydrophobicContact CB-CB 4.08Å; D19-E22 WeakPolarHBondContact O-CA 3.05Å; D19-E22 WeakPolarHBondContact O-CB 3.39Å; D19-E22 PolarHBondContact O-N 3.19Å; E22-K128 IonicContact OE2-NZ 3.01Å; E22-K128 PolarHBondContact OE2-NZ 3.28Å
23C45.1Very low56.7Low23 Ų2395.6 Ų95.616%0.15549%0.49CS..Hα-helixtrans-68-40.9173.1-74.70000111.9D19 E20 R25 S26D19-C23 PolarHBondContact O-N 3.31Å; D19-C23 VanDerWaalsContact O-N 3.17Å; E20-C23 PolarHBondContact O-N 3.2Å; C23-R25 VanDerWaalsContact C-N 3.32Å; C23-R25 PolarHBondContact O-N 2.92Å; C23-S26 PolarHBondContact O-N 3.24Å
24N42.5Very low54.8Low121 Ų121100.1 Ų100.165%0.64752%0.522SS*.Hα-helixtrans-70.1-25.2-176.8-163.546.1000113.4E20 S26E20-N24 WeakPolarHBondContact O-CB 3.44Å; E20-N24 PolarHBondContact O-N 3.21Å; N24-S26 VanDerWaalsContact C-N 3.29Å; N24-S26 PolarHBondContact O-N 2.84Å
25R43.8Very low53Low226 Ų226105.3 Ų105.385%0.85354%0.544SS*.THydrogen-bonded Turntrans-69.5-22.2173.2-92.6-174.1-178.7174.42.8114.1D21 C23D21-R25 PolarHBondContact O-N 3.36Å; C23-R25 VanDerWaalsContact C-N 3.32Å; C23-R25 PolarHBondContact O-N 2.92Å
26S46Very low51.1Low74 Ų74111.1 Ų111.152%0.51757%0.573SS.*THydrogen-bonded Turntrans-86.4-25.4179.1-1400000112.9C23 N24 G28C23-S26 PolarHBondContact O-N 3.24Å; N24-S26 VanDerWaalsContact C-N 3.29Å; N24-S26 PolarHBondContact O-N 2.84Å; S26-G28 VanDerWaalsContact C-N 3.35Å
27Y45Very low49.1Very low158 Ų158116.1 Ų116.162%0.6261%0.614SS**THydrogen-bonded Turntrans-85-4175.2-82.1-89.8000114.1V46Y27-V46 HydrophobicContact CE2-CG1 4.37Å; Y27-V46 HydrophobicContact CE2-CG2 4.4Å
28G40.8Very low47.2Very low61 Ų61121 Ų12163%0.62964%0.644SS**THydrogen-bonded Turntrans-92.85.5-175.200000116.5S26S26-G28 VanDerWaalsContact C-N 3.35Å
29Q40.7Very low45.9Very low178 Ų178125.8 Ų125.883%0.83268%0.683SS**  trans-107.994176.2-167.8169-9.800110.6
30V48.4Very low45.1Very low126 Ų126129.2 Ų129.276%0.76470%0.702SS**  trans-64.7134.3169.5-70.20000111.3
31E45.6Very low45Very low171 Ų171126.6 Ų126.680%0.79969%0.693SS**  trans72.5128162-39.8-155.6104.400118.8
32P39.8Very low45.7Very low117 Ų117126 Ų12676%0.7669%0.69SS**  -132.5139.396.735.6-25.5000113.9S34P32-S34 VanDerWaalsContact C-N 3.34Å; P32-S34 PolarHBondContact O-N 3.31Å
33D47.9Very low46.7Very low153 Ų153124 Ų12482%0.81868%0.68SS**  trans-55.295.2156.5-170.2-79.7000108.7
34S44.2Very low48.2Very low97 Ų97125.3 Ų125.368%0.67869%0.685SS**  trans-159.689172.5-81.80000111.1P32P32-S34 VanDerWaalsContact C-N 3.34Å; P32-S34 PolarHBondContact O-N 3.31Å
35K46.5Very low49.8Very low194 Ų194120.6 Ų120.684%0.84366%0.662SS**  trans36.1116.9138-55.8-169.7-177.1-178.60118
36Q41.8Very low51.6Low168 Ų168111.5 Ų111.579%0.78563%0.631SS**  trans83.364.9147.8-153.7156.6-1400115.6T38Q36-T38 HydrophobicContact CG-CG2 3.98Å; Q36-T38 PolarHBondContact O-N 3.45Å
37A41.3Very low53.3Low104 Ų104112 Ų11286%0.8663%0.627SS**  trans-64.891.3148.500000108A39A37-A39 PolarHBondContact O-N 2.83Å; A37-A39 VanDerWaalsContact O-N 3.08Å
38T40.5Very low55.1Low104 Ų104104.8 Ų104.864%0.63860%0.599SS**  trans-64.7105.2158.6520000106.4Q36 D40Q36-T38 HydrophobicContact CG-CG2 3.98Å; Q36-T38 PolarHBondContact O-N 3.45Å; T38-D40 VanDerWaalsContact C-N 3.26Å; T38-D40 PolarHBondContact O-N 3.34Å
39A49.7Very low57.2Low102 Ų102101.9 Ų101.984%0.84357%0.57SS**SBendtrans-63.789.4165.900000108.8A37A37-A39 PolarHBondContact O-N 2.83Å; A37-A39 VanDerWaalsContact O-N 3.08Å
40D46.5Very low59.2Low146 Ų14697.2 Ų97.278%0.78155%0.55SS**SBendtrans-169.7120.3158.1-139.6-123.5000105.4T38T38-D40 VanDerWaalsContact C-N 3.26Å; T38-D40 PolarHBondContact O-N 3.34Å
41D50.8Low60.9Low115 Ų11597.2 Ų97.262%0.61554%0.536SS*.  trans83.954.9179.8-122.5-95000117.2F43D41-F43 PolarHBondContact O-N 2.94Å; D41-F43 VanDerWaalsContact O-N 3.09Å
42N63.4Low62.7Low121 Ų12189.1 Ų89.165%0.64750%0.498SS*.  trans-86.173.4179.2-153.266.8000112.5D44N42-D44 PolarHBondContact ND2-OD2 3.23Å; N42-D44 PolarHBondContact O-N 3.42Å; N42-D44 VanDerWaalsContact O-N 3.17Å
43F69.5Low64.8Low44 Ų4486.9 Ų86.919%0.19348%0.475CS..  trans-66.7108.7170163.5-98.9000110.6Q8 V12 D41 P45 I48 W153Q8-F43 HydrophobicContact CB-CE1 3.89Å; Q8-F43 HydrophobicContact CB-CE2 3.82Å; Q8-F43 HydrophobicContact CB-CZ 3.39Å; Q8-F43 HydrophobicContact CG-CD1 3.91Å; Q8-F43 HydrophobicContact CG-CD2 4.29Å; Q8-F43 HydrophobicContact CG-CE1 3.53Å; Q8-F43 HydrophobicContact CG-CE2 3.93Å; Q8-F43 HydrophobicContact CG-CG 4.28Å; Q8-F43 HydrophobicContact CG-CZ 3.54Å; V12-F43 HydrophobicContact CG2-CE2 4.02Å; V12-F43 HydrophobicContact CG2-CZ 3.92Å; D41-F43 PolarHBondContact O-N 2.94Å; D41-F43 VanDerWaalsContact O-N 3.09Å; F43-P45 HydrophobicContact CE1-CB 3.96Å; F43-P45 HydrophobicContact CE1-CG 4.11Å; F43-P45 HydrophobicContact CZ-CB 3.77Å; F43-P45 HydrophobicContact CZ-CG 4.42Å; F43-P45 WeakPolarHBondContact O-CD 3.08Å; F43-I48 HydrophobicContact CD2-CD1 3.44Å; F43-I48 VanDerWaalsContact CD2-CD1 3.44Å; F43-I48 HydrophobicContact CE2-CD1 3.35Å; F43-I48 HydrophobicContact CZ-CD1 4.44Å; F43-W153 HydrophobicContact CD2-CB 3.97Å; F43-W153 HydrophobicContact CE2-CB 3.59Å; F43-W153 HydrophobicContact CE2-CG 4.29Å
44D78.5Confident66.5Low51 Ų5183.9 Ų83.927%0.27346%0.462SS..  trans-104104173.1-78.2-71.3000111.5N42 V46 I47 I48N42-D44 PolarHBondContact ND2-OD2 3.23Å; N42-D44 PolarHBondContact O-N 3.42Å; N42-D44 VanDerWaalsContact O-N 3.17Å; D44-V46 PolarHBondContact O-N 3.47Å; D44-I47 HydrophobicContact CB-CB 3.89Å; D44-I47 HydrophobicContact CB-CD1 3.67Å; D44-I47 HydrophobicContact CB-CG1 3.69Å; D44-I47 PolarHBondContact O-N 2.94Å; D44-I48 WeakPolarHBondContact O-CD1 3.3Å; D44-I48 WeakPolarHBondContact O-CG1 3.36Å; D44-I48 PolarHBondContact O-N 2.81Å; D44-I48 VanDerWaalsContact O-N 3.15Å
45P76.1Confident68.4Low23 Ų2380.8 Ų80.815%0.14944%0.438CS..Hα-helixtrans-63.6-26.6-179.426-33.9000112.5V12 Y15 F43 A49V12-P45 HydrophobicContact CG2-CB 4.08Å; Y15-P45 HydrophobicContact CD2-CB 3.94Å; Y15-P45 HydrophobicContact CD2-CG 4.05Å; Y15-P45 HydrophobicContact CE2-CB 4.33Å; Y15-P45 HydrophobicContact CE2-CG 3.94Å; F43-P45 HydrophobicContact CE1-CB 3.96Å; F43-P45 HydrophobicContact CE1-CG 4.11Å; F43-P45 HydrophobicContact CZ-CB 3.77Å; F43-P45 HydrophobicContact CZ-CG 4.42Å; F43-P45 WeakPolarHBondContact O-CD 3.08Å; P45-A49 WeakPolarHBondContact O-CB 3.08Å; P45-A49 PolarHBondContact O-N 3.43Å
46V80.4Confident70.2Confident35 Ų3571.5 Ų71.521%0.21240%0.398CS..Hα-helixtrans-69.3-46.5177.1-175.70000111.1Y15 Y27 D44 I48 A49 D50Y15-V46 HydrophobicContact CD1-CG2 3.78Å; Y15-V46 HydrophobicContact CD2-CG2 4.19Å; Y15-V46 HydrophobicContact CE1-CG2 3.8Å; Y15-V46 HydrophobicContact CE2-CG2 4.22Å; Y15-V46 HydrophobicContact CG-CG2 3.99Å; Y27-V46 HydrophobicContact CE2-CG1 4.37Å; Y27-V46 HydrophobicContact CE2-CG2 4.4Å; D44-V46 PolarHBondContact O-N 3.47Å; V46-I48 VanDerWaalsContact C-N 3.35Å; V46-A49 PolarHBondContact O-N 2.67Å; V46-D50 WeakPolarHBondContact O-CB 3.38Å; V46-D50 PolarHBondContact O-N 2.91Å
47I81.8Confident72.1Confident83 Ų8366 Ų6643%0.42637%0.373SS..Hα-helixtrans-64.6-43.6179.8-62.3179.7000110D44 D50 R51D44-I47 HydrophobicContact CB-CB 3.89Å; D44-I47 HydrophobicContact CB-CD1 3.67Å; D44-I47 HydrophobicContact CB-CG1 3.69Å; D44-I47 PolarHBondContact O-N 2.94Å; I47-D50 PolarHBondContact O-N 3.28Å; I47-R51 WeakPolarHBondContact O-CG 3.06Å; I47-R51 PolarHBondContact O-N 2.97Å
48I84Confident74.2Confident7 Ų763.7 Ų63.74%0.03636%0.355CS..Hα-helixtrans-64.2-46177.6-65.6156.5000110.3V12 F43 D44 V46 D50 R51 L52 W153 V158V12-I48 HydrophobicContact CG1-CG2 3.82Å; V12-I48 HydrophobicContact CG2-CB 4.14Å; V12-I48 HydrophobicContact CG2-CD1 4.48Å; V12-I48 HydrophobicContact CG2-CG2 3.87Å; F43-I48 HydrophobicContact CD2-CD1 3.44Å; F43-I48 VanDerWaalsContact CD2-CD1 3.44Å; F43-I48 HydrophobicContact CE2-CD1 3.35Å; F43-I48 HydrophobicContact CZ-CD1 4.44Å; D44-I48 WeakPolarHBondContact O-CD1 3.3Å; D44-I48 WeakPolarHBondContact O-CG1 3.36Å; D44-I48 PolarHBondContact O-N 2.81Å; D44-I48 VanDerWaalsContact O-N 3.15Å; V46-I48 VanDerWaalsContact C-N 3.35Å; I48-D50 VanDerWaalsContact C-N 3.27Å; I48-D50 PolarHBondContact O-N 2.81Å; I48-R51 PolarHBondContact O-N 2.92Å; I48-L52 HydrophobicContact CG2-CD1 4.02Å; I48-L52 HydrophobicContact CG2-CG 4.36Å; I48-L52 WeakPolarHBondContact O-CB 3.33Å; I48-L52 VanDerWaalsContact O-CG 3.24Å; I48-L52 WeakPolarHBondContact O-CG 3.4Å; I48-L52 PolarHBondContact O-N 3.44Å; I48-W153 HydrophobicContact CD1-CB 3.75Å; I48-W153 HydrophobicContact CG2-CE3 3.85Å; I48-W153 HydrophobicContact CG2-CZ3 4.47Å; I48-V158 HydrophobicContact CG2-CG2 4.38Å
49A84.3Confident76.1Confident1 Ų159.6 Ų59.61%0.00833%0.329CS..Hα-helixtrans-59.3-37.9175.700000112.4L16 P45 V46 R53L16-A49 HydrophobicContact CB-CB 4.1Å; L16-A49 VanDerWaalsContact CD1-O 3.25Å; L16-A49 WeakPolarHBondContact CD1-O 3.28Å; P45-A49 WeakPolarHBondContact O-CB 3.08Å; P45-A49 PolarHBondContact O-N 3.43Å; V46-A49 PolarHBondContact O-N 2.67Å; A49-R53 VanDerWaalsContact O-CB 3.25Å; A49-R53 WeakPolarHBondContact O-CB 3.42Å; A49-R53 PolarHBondContact O-N 3.29Å
50D81.8Confident77.5Confident79 Ų7955.9 Ų55.942%0.42230%0.295SS..Hα-helixtrans-68.4-42.1178.1-170-104.5000112.9V46 I47 I48 R53 T54V46-D50 WeakPolarHBondContact O-CB 3.38Å; V46-D50 PolarHBondContact O-N 2.91Å; I47-D50 PolarHBondContact O-N 3.28Å; I48-D50 VanDerWaalsContact C-N 3.27Å; I48-D50 PolarHBondContact O-N 2.81Å; D50-R53 WeakPolarHBondContact O-CB 3.38Å; D50-R53 PolarHBondContact O-N 2.86Å; D50-R53 IonicContact OD2-NH1 3.61Å; D50-T54 PolarHBondContact O-N 3.17Å; D50-T54 PolarHBondContact O-OG1 2.9Å
51R83.8Confident79.1Confident126 Ų12655.7 Ų55.748%0.47529%0.287SS..Hα-helixtrans-60.9-48.9172.7-69.8171.7175.5-140.410.7111.6I47 I48 R53 T54 I55 V158I47-R51 WeakPolarHBondContact O-CG 3.06Å; I47-R51 PolarHBondContact O-N 2.97Å; I48-R51 PolarHBondContact O-N 2.92Å; R51-R53 VanDerWaalsContact C-N 3.27Å; R51-R53 PolarHBondContact O-N 2.85Å; R51-T54 WeakPolarHBondContact O-CB 3.47Å; R51-T54 PolarHBondContact O-N 3.39Å; R51-T54 VanDerWaalsContact O-N 3.09Å; R51-I55 PolarHBondContact O-N 3.09Å; R51-V158 HydrophobicContact CB-CG2 4.4Å; R51-V158 WeakPolarHBondContact CD-O 3.49Å; R51-V158 PolarHBondContact NH1-O 3.14Å; R51-V158 VanDerWaalsContact NH1-O 3.09Å
52L85.2Confident80.7Confident1 Ų152.2 Ų52.21%0.00527%0.268CS..Hα-helixtrans-58-41.5174-71.5179.5000111.2V12 L16 I48 T54 I55 G56 I110 V114 W153 V158V12-L52 HydrophobicContact CG1-CD1 3.52Å; L16-L52 HydrophobicContact CD1-CB 3.85Å; I48-L52 HydrophobicContact CG2-CD1 4.02Å; I48-L52 HydrophobicContact CG2-CG 4.36Å; I48-L52 WeakPolarHBondContact O-CB 3.33Å; I48-L52 VanDerWaalsContact O-CG 3.24Å; I48-L52 WeakPolarHBondContact O-CG 3.4Å; I48-L52 PolarHBondContact O-N 3.44Å; L52-T54 VanDerWaalsContact C-N 3.3Å; L52-T54 PolarHBondContact O-N 3.5Å; L52-I55 HydrophobicContact CD2-CD1 4.34Å; L52-I55 PolarHBondContact O-N 2.98Å; L52-G56 PolarHBondContact O-N 2.72Å; L52-I110 HydrophobicContact CD1-CG2 4.44Å; L52-I110 HydrophobicContact CD2-CG2 3.48Å; L52-I110 VanDerWaalsContact CD2-CG2 3.48Å; L52-V114 HydrophobicContact CB-CG1 4.09Å; L52-V114 HydrophobicContact CB-CG2 4.04Å; L52-V114 HydrophobicContact CD1-CG2 4.1Å; L52-V114 HydrophobicContact CD2-CG2 4.09Å; L52-V114 HydrophobicContact CG-CG2 4.31Å; L52-V114 WeakPolarHBondContact O-CG1 3.3Å; L52-W153 HydrophobicContact CD1-CZ3 4.01Å; L52-V158 HydrophobicContact CD2-CB 3.82Å; L52-V158 HydrophobicContact CD2-CG1 3.39Å; L52-V158 HydrophobicContact CD2-CG2 4.34Å; L52-V158 HydrophobicContact CG-CB 4.47Å; L52-V158 HydrophobicContact CG-CG1 4.42Å
53R83.4Confident81.4Confident71 Ų7153.4 Ų53.427%0.26827%0.27SS..Hα-helixtrans-59.4-42.5175.8-175.8-177.2-67.2143-3.7111.5Y15 L16 A49 D50 R51 G56 D57 L118Y15-R53 PolarHBondContact O-NH2 3.05Å; L16-R53 HydrophobicContact CD1-CB 4.05Å; L16-R53 PolarHBondContact O-NH2 3.46Å; A49-R53 VanDerWaalsContact O-CB 3.25Å; A49-R53 WeakPolarHBondContact O-CB 3.42Å; A49-R53 PolarHBondContact O-N 3.29Å; D50-R53 WeakPolarHBondContact O-CB 3.38Å; D50-R53 PolarHBondContact O-N 2.86Å; D50-R53 IonicContact OD2-NH1 3.61Å; R51-R53 VanDerWaalsContact C-N 3.27Å; R51-R53 PolarHBondContact O-N 2.85Å; R53-G56 PolarHBondContact O-N 2.89Å; R53-D57 VanDerWaalsContact O-CB 3.29Å; R53-D57 WeakPolarHBondContact O-CB 3.32Å; R53-D57 PolarHBondContact O-N 2.82Å; R53-L118 HydrophobicContact CG-CD1 4.37Å; R53-L118 HydrophobicContact CG-CD2 4.45Å
54T83.8Confident82Confident90 Ų9055.5 Ų55.555%0.55229%0.29SS*.Hα-helixtrans-62.3-45.9176.7-61.40000111.6D50 R51 L52 D57 A58D50-T54 PolarHBondContact O-N 3.17Å; D50-T54 PolarHBondContact O-OG1 2.9Å; R51-T54 WeakPolarHBondContact O-CB 3.47Å; R51-T54 PolarHBondContact O-N 3.39Å; R51-T54 VanDerWaalsContact O-N 3.09Å; L52-T54 VanDerWaalsContact C-N 3.3Å; L52-T54 PolarHBondContact O-N 3.5Å; T54-D57 PolarHBondContact O-N 3.45Å; T54-A58 WeakPolarHBondContact O-CB 3.28Å; T54-A58 PolarHBondContact O-N 2.76Å
55I84.4Confident82.1Confident31 Ų3153.4 Ų53.416%0.15928%0.278CS..Hα-helixtrans-61.5-48.7175.8-64.2158.5000110.7R51 L52 D57 A58 L59 H111 V158R51-I55 PolarHBondContact O-N 3.09Å; L52-I55 HydrophobicContact CD2-CD1 4.34Å; L52-I55 PolarHBondContact O-N 2.98Å; I55-D57 VanDerWaalsContact C-N 3.33Å; I55-D57 PolarHBondContact O-N 2.86Å; I55-A58 WeakPolarHBondContact O-CB 3.35Å; I55-A58 PolarHBondContact O-N 3.34Å; I55-L59 HydrophobicContact CG2-CD1 4.06Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 3.31Å; I55-H111 WeakPolarHBondContact CD1-NE2 3.38Å; I55-H111 HydrophobicContact CG2-CB 4.18Å; I55-V158 HydrophobicContact CD1-CB 3.91Å; I55-V158 HydrophobicContact CD1-CG1 4.23Å; I55-V158 WeakPolarHBondContact CD1-OXT 3.31Å
56G82.5Confident82.3Confident0 Ų053.8 Ų53.80%028%0.279CS..Hα-helixtrans-63.5-37.3-179.800000112.9L52 R53 L59 N60L52-G56 PolarHBondContact O-N 2.72Å; R53-G56 PolarHBondContact O-N 2.89Å; G56-L59 PolarHBondContact O-N 2.88Å; G56-N60 VanDerWaalsContact O-CB 3.28Å; G56-N60 WeakPolarHBondContact O-CB 3.48Å; G56-N60 PolarHBondContact O-N 3.46Å; G56-N60 PolarHBondContact O-ND2 3.15Å
57D82.9Confident82.5Confident51 Ų5159.7 Ų59.727%0.27330%0.302SS..Hα-helixtrans-69.5-38.4174.6-167.7-100.7000111.7R53 T54 I55 N60 K61 K122R53-D57 VanDerWaalsContact O-CB 3.29Å; R53-D57 WeakPolarHBondContact O-CB 3.32Å; R53-D57 PolarHBondContact O-N 2.82Å; T54-D57 PolarHBondContact O-N 3.45Å; I55-D57 VanDerWaalsContact C-N 3.33Å; I55-D57 PolarHBondContact O-N 2.86Å; D57-N60 CarbonylContact O-C 3.15Å; D57-N60 PolarHBondContact O-N 3.29Å; D57-K61 WeakPolarHBondContact O-CG 3.36Å; D57-K61 PolarHBondContact O-N 3.44Å; D57-K61 WeakPolarHBondContact OD1-CE 3.43Å; D57-K61 IonicContact OD1-NZ 2.74Å; D57-K61 PolarHBondContact OD1-NZ 3.4Å; D57-K122 IonicContact OD2-NZ 3.59Å; D57-K122 PolarHBondContact OD2-NZ 2.99Å
58A84.1Confident82.5Confident57 Ų5758 Ų5847%0.47130%0.295SS..Hα-helixtrans-61.2-43.3172.700000111.8T54 I55 K61T54-A58 WeakPolarHBondContact O-CB 3.28Å; T54-A58 PolarHBondContact O-N 2.76Å; I55-A58 WeakPolarHBondContact O-CB 3.35Å; I55-A58 PolarHBondContact O-N 3.34Å; A58-K61 WeakPolarHBondContact O-CB 3.43Å; A58-K61 PolarHBondContact O-N 3.37Å; A58-K61 VanDerWaalsContact O-N 3.13Å
59L80.4Confident82.5Confident18 Ų1857.6 Ų57.69%0.09429%0.293CS..Hα-helixtrans-66.9-39174.4-68.4172.4000112.1I55 G56 K61 D62 F65 Y96 H111 A115I55-L59 HydrophobicContact CG2-CD1 4.06Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 3.31Å; G56-L59 PolarHBondContact O-N 2.88Å; L59-K61 PolarHBondContact O-N 3.03Å; L59-K61 VanDerWaalsContact O-N 3.16Å; L59-D62 WeakPolarHBondContact O-CB 3.44Å; L59-D62 PolarHBondContact O-N 2.92Å; L59-F65 HydrophobicContact CB-CD1 4.19Å; L59-F65 HydrophobicContact CB-CE1 4.24Å; L59-F65 HydrophobicContact CB-CG 4.42Å; L59-F65 WeakPolarHBondContact O-CD1 3.31Å; L59-Y96 HydrophobicContact CD2-CE1 3.56Å; L59-Y96 HydrophobicContact CD2-CE2 4.11Å; L59-Y96 WeakPolarHBondContact CD2-OH 3.49Å; L59-H111 HydrophobicContact CD1-CB 3.94Å; L59-A115 HydrophobicContact CB-CB 3.76Å; L59-A115 HydrophobicContact CD1-CB 3.82Å; L59-A115 HydrophobicContact CG-CB 4.45Å
60N79.5Confident82.5Confident24 Ų2462.7 Ų62.713%0.12832%0.315CS..THydrogen-bonded Turntrans-71.73.2172.2-84.3-80.2000114G56 D57 I66 A115 Y119G56-N60 VanDerWaalsContact O-CB 3.28Å; G56-N60 WeakPolarHBondContact O-CB 3.48Å; G56-N60 PolarHBondContact O-N 3.46Å; G56-N60 PolarHBondContact O-ND2 3.15Å; D57-N60 CarbonylContact O-C 3.15Å; D57-N60 PolarHBondContact O-N 3.29Å; N60-I66 WeakPolarHBondContact O-CD1 3.32Å; N60-I66 WeakPolarHBondContact O-CG1 3.14Å; N60-A115 WeakPolarHBondContact ND2-CA 3.23Å; N60-A115 PolarHBondContact ND2-O 3.39Å; N60-Y119 WeakPolarHBondContact OD1-CB 3.39Å; N60-Y119 WeakPolarHBondContact OD1-CD2 3.48Å
61K81.1Confident82.7Confident142 Ų14264.8 Ų64.862%0.61733%0.326SS*.THydrogen-bonded Turntrans-96.4-21.6164.4-73.1166.6-176.21510112.2D57 A58 L59 Q63D57-K61 WeakPolarHBondContact O-CG 3.36Å; D57-K61 PolarHBondContact O-N 3.44Å; D57-K61 WeakPolarHBondContact OD1-CE 3.43Å; D57-K61 IonicContact OD1-NZ 2.74Å; D57-K61 PolarHBondContact OD1-NZ 3.4Å; A58-K61 WeakPolarHBondContact O-CB 3.43Å; A58-K61 PolarHBondContact O-N 3.37Å; A58-K61 VanDerWaalsContact O-N 3.13Å; L59-K61 PolarHBondContact O-N 3.03Å; L59-K61 VanDerWaalsContact O-N 3.16Å; K61-Q63 PolarHBondContact O-N 3.34Å
62D83Confident82.6Confident42 Ų4260.9 Ų60.923%0.22531%0.314CS..  trans-74.1110.1177.5-170.1-67.7000109.2L59 S64 F65 I66 R99L59-D62 WeakPolarHBondContact O-CB 3.44Å; L59-D62 PolarHBondContact O-N 2.92Å; D62-S64 PolarHBondContact O-N 2.8Å; D62-S64 WeakPolarHBondContact OD1-CB 3.17Å; D62-S64 PolarHBondContact OD1-N 3.48Å; D62-S64 VanDerWaalsContact OD1-N 3.11Å; D62-F65 HydrophobicContact CB-CB 4.03Å; D62-F65 WeakPolarHBondContact O-CB 3.49Å; D62-F65 PolarHBondContact O-N 3.03Å; D62-F65 VanDerWaalsContact O-N 3.14Å; D62-F65 PolarHBondContact OD1-N 3.26Å; D62-F65 VanDerWaalsContact OD1-N 3.13Å; D62-I66 VanDerWaalsContact O-CG1 3.29Å; D62-I66 WeakPolarHBondContact O-CG1 3.48Å; D62-I66 PolarHBondContact O-N 3.47Å; D62-R99 IonicContact OD2-NH1 3.06Å; D62-R99 PolarHBondContact OD2-NH1 3.33Å
63Q79.6Confident82.3Confident146 Ų14661.2 Ų61.268%0.68232%0.317SS*.Hα-helixtrans-59.5-32.5-176-73.4-71.5-59.100112.8K61 K67K61-Q63 PolarHBondContact O-N 3.34Å; Q63-K67 WeakPolarHBondContact O-CB 3.21Å; Q63-K67 PolarHBondContact O-N 3.29Å
64S80.8Confident82.1Confident87 Ų8765 Ų6561%0.60834%0.337SS*.Hα-helixtrans-70-43177.7-67.30000110.7D62 K67 T68D62-S64 PolarHBondContact O-N 2.8Å; D62-S64 WeakPolarHBondContact OD1-CB 3.17Å; D62-S64 PolarHBondContact OD1-N 3.48Å; D62-S64 VanDerWaalsContact OD1-N 3.11Å; S64-K67 PolarHBondContact O-N 2.92Å; S64-T68 PolarHBondContact O-N 3.4Å; S64-T68 PolarHBondContact O-OG1 3.48Å; S64-T68 VanDerWaalsContact O-OG1 3.07Å
65F80.6Confident81.7Confident7 Ų765 Ų653%0.03135%0.346CS..Hα-helixtrans-60.4-50.6174.4-177.1-90.1000111.5L59 D62 K67 T68 V69 L92 Y96 A115L59-F65 HydrophobicContact CB-CD1 4.19Å; L59-F65 HydrophobicContact CB-CE1 4.24Å; L59-F65 HydrophobicContact CB-CG 4.42Å; L59-F65 WeakPolarHBondContact O-CD1 3.31Å; D62-F65 HydrophobicContact CB-CB 4.03Å; D62-F65 WeakPolarHBondContact O-CB 3.49Å; D62-F65 PolarHBondContact O-N 3.03Å; D62-F65 VanDerWaalsContact O-N 3.14Å; D62-F65 PolarHBondContact OD1-N 3.26Å; D62-F65 VanDerWaalsContact OD1-N 3.13Å; F65-K67 VanDerWaalsContact C-N 3.28Å; F65-K67 PolarHBondContact O-N 2.82Å; F65-T68 PolarHBondContact O-N 2.88Å; F65-V69 HydrophobicContact CD1-CG2 3.86Å; F65-V69 HydrophobicContact CE1-CG2 3.39Å; F65-V69 HydrophobicContact CE2-CG2 4.33Å; F65-V69 HydrophobicContact CG-CG2 4.47Å; F65-V69 HydrophobicContact CZ-CG2 3.65Å; F65-V69 WeakPolarHBondContact O-CB 3.26Å; F65-V69 WeakPolarHBondContact O-CG2 3.47Å; F65-V69 PolarHBondContact O-N 2.86Å; F65-L92 HydrophobicContact CD2-CD2 3.81Å; F65-L92 HydrophobicContact CE2-CB 4.25Å; F65-L92 HydrophobicContact CE2-CD1 3.9Å; F65-L92 HydrophobicContact CE2-CD2 3.56Å; F65-L92 HydrophobicContact CE2-CG 4.08Å; F65-L92 HydrophobicContact CZ-CD1 3.81Å; F65-L92 HydrophobicContact CZ-CD2 4.12Å; F65-L92 HydrophobicContact CZ-CG 4.46Å; F65-Y96 HydrophobicContact CB-CE2 4.32Å; F65-Y96 HydrophobicContact CD2-CD2 4.04Å; F65-Y96 AromaticContact CD2-CE2 3.63Å; F65-Y96 HydrophobicContact CD2-CE2 3.63Å; F65-Y96 HydrophobicContact CE2-CE2 4.46Å; F65-Y96 HydrophobicContact CG-CE2 4.39Å; F65-A115 HydrophobicContact CD1-CB 4.49Å; F65-A115 HydrophobicContact CE1-CB 3.39Å; F65-A115 HydrophobicContact CE2-CB 4.37Å; F65-A115 HydrophobicContact CZ-CB 3.33Å
66I81.2Confident81.4Confident32 Ų3264.6 Ų64.616%0.16435%0.346CS..Hα-helixtrans-58.8-42.5178.8-61.2162.1000110.7N60 D62 V69 K70 Y119N60-I66 WeakPolarHBondContact O-CD1 3.32Å; N60-I66 WeakPolarHBondContact O-CG1 3.14Å; D62-I66 VanDerWaalsContact O-CG1 3.29Å; D62-I66 WeakPolarHBondContact O-CG1 3.48Å; D62-I66 PolarHBondContact O-N 3.47Å; I66-V69 PolarHBondContact O-N 2.64Å; I66-K70 WeakPolarHBondContact O-CB 2.97Å; I66-K70 PolarHBondContact O-N 3.39Å; I66-Y119 HydrophobicContact CG2-CD2 4.45Å; I66-Y119 HydrophobicContact CG2-CE2 3.84Å
67K83.6Confident81.3Confident159 Ų15968.3 Ų68.369%0.69137%0.368SS*.Hα-helixtrans-63.7-44.5-179.2-168.7179.9-177.3-173.10111.3Q63 S64 F65 K70 D71Q63-K67 WeakPolarHBondContact O-CB 3.21Å; Q63-K67 PolarHBondContact O-N 3.29Å; S64-K67 PolarHBondContact O-N 2.92Å; F65-K67 VanDerWaalsContact C-N 3.28Å; F65-K67 PolarHBondContact O-N 2.82Å; K67-K70 PolarHBondContact O-N 2.94Å; K67-D71 WeakPolarHBondContact O-CB 3.15Å; K67-D71 PolarHBondContact O-N 3.47Å
68T83.7Confident81Confident46 Ų4671.8 Ų71.828%0.28238%0.383SS..Hα-helixtrans-63.3-48.9175.7-57.40000111.2S64 F65 K70 D71 L72 I91 L92S64-T68 PolarHBondContact O-N 3.4Å; S64-T68 PolarHBondContact O-OG1 3.48Å; S64-T68 VanDerWaalsContact O-OG1 3.07Å; F65-T68 PolarHBondContact O-N 2.88Å; T68-K70 VanDerWaalsContact C-N 3.31Å; T68-K70 PolarHBondContact O-N 3.46Å; T68-D71 PolarHBondContact O-N 3.27Å; T68-L72 HydrophobicContact CG2-CD1 3.8Å; T68-L72 WeakPolarHBondContact O-CB 3.49Å; T68-L72 WeakPolarHBondContact O-CD1 3.36Å; T68-L72 WeakPolarHBondContact O-CG 3.49Å; T68-L72 PolarHBondContact O-N 2.94Å; T68-I91 HydrophobicContact CG2-CG2 4.37Å; T68-L92 HydrophobicContact CG2-CD2 3.87Å
69V83.3Confident80.8Confident0 Ų077.9 Ų77.90%040%0.402CS..Hα-helixtrans-58.3-45176.4169.40000111.4F65 I66 L72 T73 L92 L116 Y119F65-V69 HydrophobicContact CD1-CG2 3.86Å; F65-V69 HydrophobicContact CE1-CG2 3.39Å; F65-V69 HydrophobicContact CE2-CG2 4.33Å; F65-V69 HydrophobicContact CG-CG2 4.47Å; F65-V69 HydrophobicContact CZ-CG2 3.65Å; F65-V69 WeakPolarHBondContact O-CB 3.26Å; F65-V69 WeakPolarHBondContact O-CG2 3.47Å; F65-V69 PolarHBondContact O-N 2.86Å; I66-V69 PolarHBondContact O-N 2.64Å; V69-L72 PolarHBondContact O-N 3.1Å; V69-T73 HydrophobicContact CG1-CG2 4.32Å; V69-T73 WeakPolarHBondContact O-CB 3.22Å; V69-T73 WeakPolarHBondContact O-CG2 3.49Å; V69-T73 PolarHBondContact O-N 3.15Å; V69-T73 PolarHBondContact O-OG1 3.09Å; V69-L92 HydrophobicContact CG2-CD1 3.66Å; V69-L92 HydrophobicContact CG2-CD2 3.78Å; V69-L92 HydrophobicContact CG2-CG 4.31Å; V69-L116 HydrophobicContact CB-CD1 4.49Å; V69-L116 HydrophobicContact CG1-CD1 3.48Å; V69-L116 VanDerWaalsContact CG1-CD1 3.48Å; V69-L116 HydrophobicContact CG2-CD1 4.37Å; V69-Y119 HydrophobicContact CG1-CD1 3.4Å; V69-Y119 HydrophobicContact CG1-CD2 4.32Å; V69-Y119 HydrophobicContact CG1-CE1 3.91Å; V69-Y119 HydrophobicContact CG1-CG 3.62Å
70K84.1Confident80.9Confident108 Ų10878.6 Ų78.647%0.4741%0.41SS..Hα-helixtrans-62.2-48.9180-179.2177.9174.7-172.90111I66 K67 T68 L72 T73 E74 Y119I66-K70 WeakPolarHBondContact O-CB 2.97Å; I66-K70 PolarHBondContact O-N 3.39Å; K67-K70 PolarHBondContact O-N 2.94Å; T68-K70 VanDerWaalsContact C-N 3.31Å; T68-K70 PolarHBondContact O-N 3.46Å; K70-L72 VanDerWaalsContact C-N 3.27Å; K70-L72 PolarHBondContact O-N 3.18Å; K70-T73 CarbonylContact O-C 3.4Å; K70-T73 PolarHBondContact O-N 3.31Å; K70-T73 VanDerWaalsContact O-N 3.15Å; K70-E74 WeakPolarHBondContact O-CA 3.16Å; K70-E74 VanDerWaalsContact O-CB 3.28Å; K70-E74 WeakPolarHBondContact O-CB 3.34Å; K70-E74 PolarHBondContact O-N 2.84Å; K70-Y119 WeakPolarHBondContact CB-OH 3.32Å; K70-Y119 WeakPolarHBondContact CG-OH 3.47Å
71D85.2Confident81.1Confident123 Ų12377.5 Ų77.566%0.65840%0.404SS*.Hα-helixtrans-57.3-42.9178.5-171.3-100000111.3K67 T68 T73K67-D71 WeakPolarHBondContact O-CB 3.15Å; K67-D71 PolarHBondContact O-N 3.47Å; T68-D71 PolarHBondContact O-N 3.27Å; D71-T73 PolarHBondContact O-N 2.83Å
72L81.7Confident81.1Confident43 Ų4372.7 Ų72.723%0.22539%0.391CS..Hα-helixtrans-69.5-32.1178-67.6164.8000113.7T68 V69 K70 V84 S88 I91T68-L72 HydrophobicContact CG2-CD1 3.8Å; T68-L72 WeakPolarHBondContact O-CB 3.49Å; T68-L72 WeakPolarHBondContact O-CD1 3.36Å; T68-L72 WeakPolarHBondContact O-CG 3.49Å; T68-L72 PolarHBondContact O-N 2.94Å; V69-L72 PolarHBondContact O-N 3.1Å; K70-L72 VanDerWaalsContact C-N 3.27Å; K70-L72 PolarHBondContact O-N 3.18Å; L72-V84 VanDerWaalsContact O-CG1 3.31Å; L72-V84 WeakPolarHBondContact O-CG1 3.37Å; L72-S88 WeakPolarHBondContact CB-OG 3.49Å; L72-I91 HydrophobicContact CD1-CB 4.33Å; L72-I91 HydrophobicContact CD1-CD1 4.43Å; L72-I91 HydrophobicContact CD1-CG2 4.16Å; L72-I91 HydrophobicContact CD2-CD1 3.54Å
73T78.7Confident81.2Confident9 Ų974.6 Ų74.66%0.05540%0.404CS..Hα-helixtrans-101-5.6-175.6580000114V69 K70 D71 A75 V76 L116 Y119 L120V69-T73 HydrophobicContact CG1-CG2 4.32Å; V69-T73 WeakPolarHBondContact O-CB 3.22Å; V69-T73 WeakPolarHBondContact O-CG2 3.49Å; V69-T73 PolarHBondContact O-N 3.15Å; V69-T73 PolarHBondContact O-OG1 3.09Å; K70-T73 CarbonylContact O-C 3.4Å; K70-T73 PolarHBondContact O-N 3.31Å; K70-T73 VanDerWaalsContact O-N 3.15Å; D71-T73 PolarHBondContact O-N 2.83Å; T73-A75 VanDerWaalsContact C-N 3.25Å; T73-A75 PolarHBondContact O-N 2.93Å; T73-V76 WeakPolarHBondContact O-CB 3.47Å; T73-V76 WeakPolarHBondContact O-CG1 3.31Å; T73-V76 PolarHBondContact O-N 3.35Å; T73-V76 VanDerWaalsContact O-N 3.17Å; T73-L116 HydrophobicContact CG2-CD1 3.65Å; T73-Y119 WeakPolarHBondContact OG1-CE1 3.39Å; T73-L120 HydrophobicContact CG2-CD1 4.37Å; T73-L120 HydrophobicContact CG2-CD2 3.77Å; T73-L120 HydrophobicContact CG2-CG 4.25Å
74E80.4Confident81.5Confident150 Ų15068.9 Ų68.970%0.70138%0.379SS*.THydrogen-bonded Turntrans-60.2-35.9-177.6178.4167.893.800112.2K70K70-E74 WeakPolarHBondContact O-CA 3.16Å; K70-E74 VanDerWaalsContact O-CB 3.28Å; K70-E74 WeakPolarHBondContact O-CB 3.34Å; K70-E74 PolarHBondContact O-N 2.84Å
75A74.7Confident81.7Confident89 Ų8964.9 Ų64.974%0.73635%0.351SS*.THydrogen-bonded Turntrans-10315.1-179.400000113.6T73 T77T73-A75 VanDerWaalsContact C-N 3.25Å; T73-A75 PolarHBondContact O-N 2.93Å; A75-T77 PolarHBondContact O-N 3.41Å
76V79.1Confident82Confident24 Ų2468.2 Ų68.215%0.14537%0.366CS..  trans-72.8125.9-17577.60000111.4T73 V81 V84 L120 L127T73-V76 WeakPolarHBondContact O-CB 3.47Å; T73-V76 WeakPolarHBondContact O-CG1 3.31Å; T73-V76 PolarHBondContact O-N 3.35Å; T73-V76 VanDerWaalsContact O-N 3.17Å; V76-V81 HydrophobicContact CG2-CB 3.94Å; V76-V81 HydrophobicContact CG2-CG2 4.15Å; V76-V84 HydrophobicContact CB-CG1 4.17Å; V76-V84 HydrophobicContact CG2-CB 3.73Å; V76-V84 HydrophobicContact CG2-CG1 3.82Å; V76-V84 HydrophobicContact CG2-CG2 3.98Å; V76-L120 HydrophobicContact CG1-CD2 4.32Å; V76-L127 HydrophobicContact CG1-CD1 3.64Å
77T79.4Confident82.2Confident77 Ų7772.1 Ų72.147%0.47238%0.384SS..  trans-98.1160.9171.365.60000110.6A75 E79 A80 V81A75-T77 PolarHBondContact O-N 3.41Å; T77-E79 PolarHBondContact O-N 3.2Å; T77-E79 VanDerWaalsContact O-N 3.13Å; T77-A80 PolarHBondContact O-N 2.8Å; T77-A80 VanDerWaalsContact O-N 3.11Å; T77-A80 VanDerWaalsContact OG1-CB 3.31Å; T77-A80 WeakPolarHBondContact OG1-CB 3.37Å; T77-A80 PolarHBondContact OG1-N 2.9Å; T77-V81 PolarHBondContact O-N 2.9Å
78E76.5Confident82.3Confident125 Ų12564.6 Ų64.658%0.58435%0.351SS*.THydrogen-bonded Turntrans-56.4-30178.7-57.7-17370.400113.5V81 L127E78-V81 VanDerWaalsContact O-CG1 3.23Å; E78-V81 WeakPolarHBondContact O-CG1 3.35Å; E78-L127 HydrophobicContact CB-CD2 3.99Å; E78-L127 HydrophobicContact CG-CD2 3.55Å
79E79.4Confident82.4Confident185 Ų18562.4 Ų62.486%0.86434%0.338SS*.THydrogen-bonded Turntrans-83.7-34.6179.7-59.6-175.793.700112T77T77-E79 PolarHBondContact O-N 3.2Å; T77-E79 VanDerWaalsContact O-N 3.13Å
80A83Confident82.4Confident32 Ų3265.7 Ų65.726%0.26436%0.355SS..THydrogen-bonded Turntrans-86.8-10.1-179.400000113.5T77 A82 T83 V84T77-A80 PolarHBondContact O-N 2.8Å; T77-A80 VanDerWaalsContact O-N 3.11Å; T77-A80 VanDerWaalsContact OG1-CB 3.31Å; T77-A80 WeakPolarHBondContact OG1-CB 3.37Å; T77-A80 PolarHBondContact OG1-N 2.9Å; A80-A82 VanDerWaalsContact C-N 3.28Å; A80-A82 PolarHBondContact O-N 3.49Å; A80-T83 PolarHBondContact O-N 3.27Å; A80-T83 VanDerWaalsContact O-N 3.1Å; A80-V84 HydrophobicContact CB-CG2 4.14Å; A80-V84 WeakPolarHBondContact O-CB 3.25Å; A80-V84 WeakPolarHBondContact O-CG2 3.17Å; A80-V84 PolarHBondContact O-N 3.11Å
81V83.3Confident82.4Confident2 Ų263.9 Ų63.91%0.01235%0.35CS..Hα-helixtrans-55.9-36.7-173.669.40000114V76 T77 E78 F85 L127 K130 V131V76-V81 HydrophobicContact CG2-CB 3.94Å; V76-V81 HydrophobicContact CG2-CG2 4.15Å; T77-V81 PolarHBondContact O-N 2.9Å; E78-V81 VanDerWaalsContact O-CG1 3.23Å; E78-V81 WeakPolarHBondContact O-CG1 3.35Å; V81-F85 WeakPolarHBondContact O-CB 3.25Å; V81-F85 PolarHBondContact O-N 3.28Å; V81-L127 HydrophobicContact CG2-CD1 4.45Å; V81-K130 HydrophobicContact CG1-CB 3.43Å; V81-K130 VanDerWaalsContact CG1-CB 3.43Å; V81-K130 HydrophobicContact CG1-CG 4.21Å; V81-V131 HydrophobicContact CG2-CG2 3.57Å
82A82.2Confident82.2Confident40 Ų4058.1 Ų58.133%0.33132%0.319SS..Hα-helixtrans-65.7-49.8177.100000111.1A80 F85 E86 A134A80-A82 VanDerWaalsContact C-N 3.28Å; A80-A82 PolarHBondContact O-N 3.49Å; A82-F85 WeakPolarHBondContact O-CB 3.34Å; A82-F85 PolarHBondContact O-N 3Å; A82-E86 WeakPolarHBondContact O-CG 3.36Å; A82-E86 PolarHBondContact O-N 3.44Å; A82-A134 HydrophobicContact CB-CB 4.05Å
83T85.1Confident82Confident83 Ų8356.8 Ų56.851%0.50931%0.313SS..Hα-helixtrans-63.1-47.9178.8-500000111.6A80 F85 E86 Q87A80-T83 PolarHBondContact O-N 3.27Å; A80-T83 VanDerWaalsContact O-N 3.1Å; T83-F85 VanDerWaalsContact C-N 3.28Å; T83-F85 PolarHBondContact O-N 2.94Å; T83-E86 PolarHBondContact O-N 3.13Å; T83-Q87 WeakPolarHBondContact O-CB 3.37Å; T83-Q87 WeakPolarHBondContact O-CG 3.48Å; T83-Q87 PolarHBondContact O-N 3Å
84V85.3Confident81.9Confident26 Ų2662.6 Ų62.616%0.15834%0.34CS..Hα-helixtrans-63.7-37.2178.4172.80000110.5L72 V76 A80 S88L72-V84 VanDerWaalsContact O-CG1 3.31Å; L72-V84 WeakPolarHBondContact O-CG1 3.37Å; V76-V84 HydrophobicContact CB-CG1 4.17Å; V76-V84 HydrophobicContact CG2-CB 3.73Å; V76-V84 HydrophobicContact CG2-CG1 3.82Å; V76-V84 HydrophobicContact CG2-CG2 3.98Å; A80-V84 HydrophobicContact CB-CG2 4.14Å; A80-V84 WeakPolarHBondContact O-CB 3.25Å; A80-V84 WeakPolarHBondContact O-CG2 3.17Å; A80-V84 PolarHBondContact O-N 3.11Å; V84-S88 WeakPolarHBondContact O-CB 3.34Å; V84-S88 PolarHBondContact O-N 2.98Å; V84-S88 PolarHBondContact O-OG 3.17Å
85F85.3Confident81.5Confident2 Ų258.8 Ų58.81%0.00933%0.33CS..Hα-helixtrans-61.1-51.3175.3-175.4-82.9000111.1V81 A82 T83 Q87 S88 V89 S113 L116 L120 V131 A134 M135V81-F85 WeakPolarHBondContact O-CB 3.25Å; V81-F85 PolarHBondContact O-N 3.28Å; A82-F85 WeakPolarHBondContact O-CB 3.34Å; A82-F85 PolarHBondContact O-N 3Å; T83-F85 VanDerWaalsContact C-N 3.28Å; T83-F85 PolarHBondContact O-N 2.94Å; F85-Q87 PolarHBondContact O-N 3.2Å; F85-S88 PolarHBondContact O-N 3.16Å; F85-V89 HydrophobicContact CD1-CG2 4.06Å; F85-V89 HydrophobicContact CE1-CG2 3.74Å; F85-V89 HydrophobicContact CZ-CG2 4.1Å; F85-V89 WeakPolarHBondContact O-CG2 3.33Å; F85-V89 PolarHBondContact O-N 3.16Å; F85-S113 WeakPolarHBondContact CZ-O 3.38Å; F85-L116 HydrophobicContact CB-CD2 4.33Å; F85-L116 HydrophobicContact CD1-CD2 4.45Å; F85-L116 HydrophobicContact CD2-CD2 3.4Å; F85-L116 HydrophobicContact CD2-CG 3.81Å; F85-L116 HydrophobicContact CE2-CB 4.14Å; F85-L116 HydrophobicContact CE2-CD2 3.68Å; F85-L116 HydrophobicContact CE2-CG 3.84Å; F85-L116 HydrophobicContact CG-CD2 3.82Å; F85-L116 HydrophobicContact CZ-CD2 4.31Å; F85-L120 HydrophobicContact CD2-CD1 4.23Å; F85-V131 HydrophobicContact CD2-CG1 4.2Å; F85-V131 HydrophobicContact CE2-CG1 4.05Å; F85-A134 HydrophobicContact CB-CB 4.43Å; F85-A134 HydrophobicContact CG-CB 4.44Å; F85-M135 HydrophobicContact CE1-CB 4.07Å; F85-M135 HydrophobicContact CE1-CG 4.34Å; F85-M135 HydrophobicContact CE2-CB 4.24Å; F85-M135 HydrophobicContact CZ-CB 3.65Å; F85-M135 HydrophobicContact CZ-CG 3.78Å; F85-M135 HydrophobicContact CZ-SD 4.32Å
86E86.1Confident81Confident78 Ų7856.9 Ų56.936%0.36430%0.304SS..Hα-helixtrans-60.8-46.2178.7-65.6-17182.800111.7A82 T83 S88 V89 D90 F138A82-E86 WeakPolarHBondContact O-CG 3.36Å; A82-E86 PolarHBondContact O-N 3.44Å; T83-E86 PolarHBondContact O-N 3.13Å; E86-S88 VanDerWaalsContact C-N 3.34Å; E86-S88 PolarHBondContact O-N 3.33Å; E86-V89 PolarHBondContact O-N 2.88Å; E86-D90 PolarHBondContact O-N 2.8Å; E86-F138 HydrophobicContact CB-CD2 4.27Å; E86-F138 HydrophobicContact CB-CE2 4.26Å; E86-F138 HydrophobicContact CG-CD2 3.6Å; E86-F138 HydrophobicContact CG-CE2 4.08Å; E86-F138 HydrophobicContact CG-CG 4.42Å; E86-F138 WeakPolarHBondContact OE1-CD2 3.39Å
87Q86.5Confident79.8Confident114 Ų11458.9 Ų58.953%0.53332%0.316SS..Hα-helixtrans-62.4-41.6177.3-71.8-174.6-69.800112.1T83 F85 D90 I91T83-Q87 WeakPolarHBondContact O-CB 3.37Å; T83-Q87 WeakPolarHBondContact O-CG 3.48Å; T83-Q87 PolarHBondContact O-N 3Å; F85-Q87 PolarHBondContact O-N 3.2Å; Q87-D90 PolarHBondContact O-N 2.7Å; Q87-I91 VanDerWaalsContact O-CG1 3.3Å; Q87-I91 WeakPolarHBondContact O-CG1 3.19Å; Q87-I91 PolarHBondContact O-N 3.39Å
88S85.4Confident78.5Confident1 Ų160.2 Ų60.21%0.00733%0.329CS..Hα-helixtrans-65.3-45.7179.3-60.40000110.9L72 V84 F85 E86 D90 I91 L92L72-S88 WeakPolarHBondContact CB-OG 3.49Å; V84-S88 WeakPolarHBondContact O-CB 3.34Å; V84-S88 PolarHBondContact O-N 2.98Å; V84-S88 PolarHBondContact O-OG 3.17Å; F85-S88 PolarHBondContact O-N 3.16Å; E86-S88 VanDerWaalsContact C-N 3.34Å; E86-S88 PolarHBondContact O-N 3.33Å; S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 3.02Å; S88-I91 PolarHBondContact O-N 3.1Å; S88-L92 VanDerWaalsContact O-CB 3.3Å; S88-L92 WeakPolarHBondContact O-CB 3.17Å; S88-L92 WeakPolarHBondContact O-CD1 3.45Å; S88-L92 WeakPolarHBondContact O-CG 3.2Å; S88-L92 PolarHBondContact O-N 2.92Å
89V85Confident77.3Confident0 Ų062.1 Ų62.10%033%0.33CS..Hα-helixtrans-60.7-39177172.40000111.4F85 E86 C93 L109 A112 L116 F138F85-V89 HydrophobicContact CD1-CG2 4.06Å; F85-V89 HydrophobicContact CE1-CG2 3.74Å; F85-V89 HydrophobicContact CZ-CG2 4.1Å; F85-V89 WeakPolarHBondContact O-CG2 3.33Å; F85-V89 PolarHBondContact O-N 3.16Å; E86-V89 PolarHBondContact O-N 2.88Å; V89-C93 WeakPolarHBondContact O-CB 3.45Å; V89-C93 PolarHBondContact O-N 3.05Å; V89-L109 HydrophobicContact CG1-CD2 3.74Å; V89-A112 HydrophobicContact CG1-CB 4.05Å; V89-L116 HydrophobicContact CG2-CD2 3.76Å; V89-F138 HydrophobicContact CB-CE1 4.31Å; V89-F138 HydrophobicContact CB-CZ 4.3Å; V89-F138 HydrophobicContact CG1-CE1 3.58Å; V89-F138 HydrophobicContact CG1-CZ 3.78Å
90D84.4Confident76Confident68 Ų6857.7 Ų57.736%0.36431%0.31SS..Hα-helixtrans-64.9-48177.7-151.3-108.4000111.5E86 Q87 S88 L92 C93 E94 R142E86-D90 PolarHBondContact O-N 2.8Å; Q87-D90 PolarHBondContact O-N 2.7Å; S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 3.02Å; D90-L92 PolarHBondContact O-N 3.18Å; D90-C93 WeakPolarHBondContact O-CA 3.5Å; D90-C93 VanDerWaalsContact O-CB 3.32Å; D90-C93 WeakPolarHBondContact O-CB 3.43Å; D90-C93 PolarHBondContact O-N 2.91Å; D90-C93 VanDerWaalsContact O-N 3.15Å; D90-E94 PolarHBondContact O-N 3.17Å; D90-R142 IonicContact OD2-NH2 3.52Å
91I84.2Confident74.8Confident70 Ų7060.9 Ų60.936%0.35934%0.336SS..Hα-helixtrans-62.6-42.7176.6-67.6166.3000111.4T68 L72 Q87 S88 C93 E94 S95T68-I91 HydrophobicContact CG2-CG2 4.37Å; L72-I91 HydrophobicContact CD1-CB 4.33Å; L72-I91 HydrophobicContact CD1-CD1 4.43Å; L72-I91 HydrophobicContact CD1-CG2 4.16Å; L72-I91 HydrophobicContact CD2-CD1 3.54Å; Q87-I91 VanDerWaalsContact O-CG1 3.3Å; Q87-I91 WeakPolarHBondContact O-CG1 3.19Å; Q87-I91 PolarHBondContact O-N 3.39Å; S88-I91 PolarHBondContact O-N 3.1Å; I91-C93 VanDerWaalsContact C-N 3.3Å; I91-E94 PolarHBondContact O-N 3.37Å; I91-S95 WeakPolarHBondContact O-CB 3.5Å; I91-S95 PolarHBondContact O-N 3.47Å
92L80.6Confident73.8Confident2 Ų266.7 Ų66.71%0.0138%0.377CS..Hα-helixtrans-64.5-39.6176.3-68.2166.4000110.6F65 T68 V69 S88 D90 S95 Y96 A112F65-L92 HydrophobicContact CD2-CD2 3.81Å; F65-L92 HydrophobicContact CE2-CB 4.25Å; F65-L92 HydrophobicContact CE2-CD1 3.9Å; F65-L92 HydrophobicContact CE2-CD2 3.56Å; F65-L92 HydrophobicContact CE2-CG 4.08Å; F65-L92 HydrophobicContact CZ-CD1 3.81Å; F65-L92 HydrophobicContact CZ-CD2 4.12Å; F65-L92 HydrophobicContact CZ-CG 4.46Å; T68-L92 HydrophobicContact CG2-CD2 3.87Å; V69-L92 HydrophobicContact CG2-CD1 3.66Å; V69-L92 HydrophobicContact CG2-CD2 3.78Å; V69-L92 HydrophobicContact CG2-CG 4.31Å; S88-L92 VanDerWaalsContact O-CB 3.3Å; S88-L92 WeakPolarHBondContact O-CB 3.17Å; S88-L92 WeakPolarHBondContact O-CD1 3.45Å; S88-L92 WeakPolarHBondContact O-CG 3.2Å; S88-L92 PolarHBondContact O-N 2.92Å; D90-L92 PolarHBondContact O-N 3.18Å; L92-S95 PolarHBondContact O-N 3.06Å; L92-Y96 WeakPolarHBondContact O-CB 3.37Å; L92-Y96 PolarHBondContact O-N 2.65Å; L92-A112 HydrophobicContact CB-CB 3.9Å; L92-A112 HydrophobicContact CD1-CB 4.38Å
93C78.3Confident73.1Confident15 Ų1566.7 Ų66.710%0.10137%0.371CS..Hα-helixtrans-60.6-50.6174-164.30000110V89 D90 I91 S95 Y96 V97 L109V89-C93 WeakPolarHBondContact O-CB 3.45Å; V89-C93 PolarHBondContact O-N 3.05Å; D90-C93 WeakPolarHBondContact O-CA 3.5Å; D90-C93 VanDerWaalsContact O-CB 3.32Å; D90-C93 WeakPolarHBondContact O-CB 3.43Å; D90-C93 PolarHBondContact O-N 2.91Å; D90-C93 VanDerWaalsContact O-N 3.15Å; I91-C93 VanDerWaalsContact C-N 3.3Å; C93-S95 VanDerWaalsContact C-N 3.31Å; C93-S95 PolarHBondContact O-N 2.94Å; C93-Y96 PolarHBondContact O-N 3.37Å; C93-V97 WeakPolarHBondContact O-CA 3.44Å; C93-V97 WeakPolarHBondContact O-CB 3.34Å; C93-V97 WeakPolarHBondContact O-CG2 3.19Å; C93-V97 PolarHBondContact O-N 3.41Å; C93-L109 HydrophobicContact CB-CD2 4.08Å
94E76.4Confident72.9Confident131 Ų13164.2 Ų64.261%0.61236%0.359SS*.Hα-helixtrans-57.8-42.1176.1-75.3-168.890.500112.9D90 I91 S98D90-E94 PolarHBondContact O-N 3.17Å; I91-E94 PolarHBondContact O-N 3.37Å; E94-S98 PolarHBondContact O-OG 2.81Å
95S71.1Confident72.5Confident71 Ų7166.7 Ų66.750%0.49738%0.376SS..Hα-helixtrans-69.3-36.5-179.8-155.80000112.5I91 L92 C93I91-S95 WeakPolarHBondContact O-CB 3.5Å; I91-S95 PolarHBondContact O-N 3.47Å; L92-S95 PolarHBondContact O-N 3.06Å; C93-S95 VanDerWaalsContact C-N 3.31Å; C93-S95 PolarHBondContact O-N 2.94Å
96Y64.6Low72.5Confident49 Ų4969.2 Ų69.219%0.19239%0.388CS..Hα-helixtrans-87.1-28.5178.3-109-100.6000114.4L59 F65 L92 C93 S98 R99 E100 Q108L59-Y96 HydrophobicContact CD2-CE1 3.56Å; L59-Y96 HydrophobicContact CD2-CE2 4.11Å; L59-Y96 WeakPolarHBondContact CD2-OH 3.49Å; F65-Y96 HydrophobicContact CB-CE2 4.32Å; F65-Y96 HydrophobicContact CD2-CD2 4.04Å; F65-Y96 AromaticContact CD2-CE2 3.63Å; F65-Y96 HydrophobicContact CD2-CE2 3.63Å; F65-Y96 HydrophobicContact CE2-CE2 4.46Å; F65-Y96 HydrophobicContact CG-CE2 4.39Å; L92-Y96 WeakPolarHBondContact O-CB 3.37Å; L92-Y96 PolarHBondContact O-N 2.65Å; C93-Y96 PolarHBondContact O-N 3.37Å; Y96-S98 PolarHBondContact O-N 3.09Å; Y96-R99 PolarHBondContact O-N 3.04Å; Y96-E100 PolarHBondContact O-N 3.01Å; Y96-Q108 PolarHBondContact O-NE2 3.3Å
97V53.4Low72.3Confident66 Ų6666.1 Ų66.140%0.437%0.373SS..Hα-helixtrans-54.1-35.2173.4160.30000110.3C93 R99C93-V97 WeakPolarHBondContact O-CA 3.44Å; C93-V97 WeakPolarHBondContact O-CB 3.34Å; C93-V97 WeakPolarHBondContact O-CG2 3.19Å; C93-V97 PolarHBondContact O-N 3.41Å; V97-R99 PolarHBondContact O-N 2.94Å
98S51.2Low72.1Confident105 Ų10561.4 Ų61.473%0.73435%0.351SS*.THydrogen-bonded Turntrans-67.3-20.7176.7-54.90000113.7E94 Y96E94-S98 PolarHBondContact O-OG 2.81Å; Y96-S98 PolarHBondContact O-N 3.09Å
99R51.9Low72.1Confident164 Ų16462 Ų6262%0.61935%0.354SS*.THydrogen-bonded Turntrans-104.2-29.7-171.5-156.6176.1-171.1-169.62.3113.6D62 Y96 V97D62-R99 IonicContact OD2-NH1 3.06Å; D62-R99 PolarHBondContact OD2-NH1 3.33Å; Y96-R99 PolarHBondContact O-N 3.04Å; V97-R99 PolarHBondContact O-N 2.94Å
100E53.4Low72.2Confident92 Ų9262 Ų6243%0.4335%0.354SS..  trans-130.655-171.1-71.7-100.884.400111.6Y96 S102 I103Y96-E100 PolarHBondContact O-N 3.01Å; E100-S102 PolarHBondContact O-N 3.36Å; E100-I103 HydrophobicContact CB-CD1 4.04Å; E100-I103 HydrophobicContact CB-CG1 4.18Å; E100-I103 HydrophobicContact CG-CD1 4.31Å; E100-I103 PolarHBondContact O-N 3.29Å; E100-I103 WeakPolarHBondContact OE2-CD1 3.49Å
101A56.6Low72.2Confident99 Ų9960.2 Ų60.282%0.81834%0.344SS*.THydrogen-bonded Turntrans-58.1-6.7-178.700000115.2
102S63.6Low72.3Confident124 Ų12457.2 Ų57.287%0.86733%0.329SS*.THydrogen-bonded Turntrans-86.5-10.7174.1-83.50000114.5E100E100-S102 PolarHBondContact O-N 3.36Å
103I67.3Low72.7Confident40 Ų4057.1 Ų57.121%0.20533%0.329CS..SBendtrans-96.6141.7-176.2-60-172.9000110.8E100 L107 Q108E100-I103 HydrophobicContact CB-CD1 4.04Å; E100-I103 HydrophobicContact CB-CG1 4.18Å; E100-I103 HydrophobicContact CG-CD1 4.31Å; E100-I103 PolarHBondContact O-N 3.29Å; E100-I103 WeakPolarHBondContact OE2-CD1 3.49Å; I103-L107 HydrophobicContact CG2-CB 3.64Å; I103-L107 HydrophobicContact CG2-CD2 3.43Å; I103-L107 VanDerWaalsContact CG2-CD2 3.43Å; I103-L107 HydrophobicContact CG2-CG 3.84Å; I103-Q108 HydrophobicContact CB-CG 4.1Å; I103-Q108 HydrophobicContact CG2-CG 3.8Å
104A79.9Confident73.1Confident32 Ų3256.4 Ų56.426%0.26432%0.324SS..  trans-59.7139.3174.800000111.1E106 L107 Q108 W146A104-E106 PolarHBondContact O-N 2.88Å; A104-L107 HydrophobicContact CB-CB 4.3Å; A104-L107 WeakPolarHBondContact O-CA 3.43Å; A104-L107 WeakPolarHBondContact O-CB 3.43Å; A104-L107 PolarHBondContact O-N 2.93Å; A104-Q108 PolarHBondContact O-N 3.47Å; A104-Q108 VanDerWaalsContact O-N 3.1Å; A104-W146 HydrophobicContact CB-CZ2 3.85Å
105P78Confident73.6Confident78 Ų7850.2 Ų50.251%0.50630%0.295SS..Hα-helixtrans-60-33.2-177.622.1-30.2000112Q108 L109P105-Q108 PolarHBondContact O-N 3.32Å; P105-L109 WeakPolarHBondContact O-CG 3.5Å; P105-L109 PolarHBondContact O-N 3.15Å
106E84.4Confident74.3Confident55 Ų5546.8 Ų46.826%0.25727%0.271SS..Hα-helixtrans-65.6-36.2173.9-63.496.9152.700113A104 L109 I110 V143 W146A104-E106 PolarHBondContact O-N 2.88Å; E106-L109 WeakPolarHBondContact O-CB 3.24Å; E106-L109 PolarHBondContact O-N 2.88Å; E106-I110 WeakPolarHBondContact O-CG1 3.36Å; E106-I110 PolarHBondContact O-N 2.89Å; E106-V143 HydrophobicContact CB-CB 4.45Å; E106-V143 HydrophobicContact CB-CG1 3.77Å; E106-V143 HydrophobicContact CG-CG1 4.26Å; E106-V143 WeakPolarHBondContact O-CG1 3.44Å; E106-W146 HydrophobicContact CB-CB 3.89Å; E106-W146 HydrophobicContact CB-CD2 3.63Å; E106-W146 HydrophobicContact CB-CE3 3.97Å; E106-W146 HydrophobicContact CB-CG 3.59Å; E106-W146 HydrophobicContact CG-CB 3.56Å; E106-W146 HydrophobicContact CG-CD2 4.22Å; E106-W146 HydrophobicContact CG-CG 3.61Å
107L82.5Confident75.4Confident12 Ų1244.5 Ų44.56%0.06326%0.262CS..Hα-helixtrans-69.8-37.7176.6-170.870.6000111.1I103 A104 L109 I110 H111 W146 V156 P157 V158I103-L107 HydrophobicContact CG2-CB 3.64Å; I103-L107 HydrophobicContact CG2-CD2 3.43Å; I103-L107 VanDerWaalsContact CG2-CD2 3.43Å; I103-L107 HydrophobicContact CG2-CG 3.84Å; A104-L107 HydrophobicContact CB-CB 4.3Å; A104-L107 WeakPolarHBondContact O-CA 3.43Å; A104-L107 WeakPolarHBondContact O-CB 3.43Å; A104-L107 PolarHBondContact O-N 2.93Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.35Å; L107-I110 HydrophobicContact CD1-CD1 4.44Å; L107-I110 WeakPolarHBondContact O-CB 3.03Å; L107-I110 PolarHBondContact O-N 2.79Å; L107-I110 VanDerWaalsContact O-N 3.17Å; L107-H111 PolarHBondContact O-CD2 3.31Å; L107-H111 VanDerWaalsContact O-CD2 3.31Å; L107-H111 VanDerWaalsContact O-CG 3.32Å; L107-H111 PolarHBondContact O-N 2.87Å; L107-W146 HydrophobicContact CB-CH2 4.2Å; L107-W146 HydrophobicContact CD1-CH2 4.24Å; L107-V156 HydrophobicContact CD1-CG1 3.86Å; L107-P157 HydrophobicContact CD2-CG 4.22Å; L107-P157 WeakPolarHBondContact CD2-O 3.44Å; L107-V158 HydrophobicContact CD1-CG1 3.65Å
108Q82.1Confident76.9Confident15 Ų1541.9 Ų41.97%0.0725%0.246CC..Hα-helixtrans-63.3-40.3173.8-61-166.5-80.400111.9Y96 I103 A104 P105 I110 H111 A112Y96-Q108 PolarHBondContact O-NE2 3.3Å; I103-Q108 HydrophobicContact CB-CG 4.1Å; I103-Q108 HydrophobicContact CG2-CG 3.8Å; A104-Q108 PolarHBondContact O-N 3.47Å; A104-Q108 VanDerWaalsContact O-N 3.1Å; P105-Q108 PolarHBondContact O-N 3.32Å; Q108-I110 VanDerWaalsContact C-N 3.31Å; Q108-I110 PolarHBondContact O-N 3.47Å; Q108-H111 PolarHBondContact O-N 3.39Å; Q108-A112 WeakPolarHBondContact O-CB 3.22Å; Q108-A112 PolarHBondContact O-N 3.49Å
109L85.2Confident78.5Confident14 Ų1438 Ų387%0.07322%0.216CC..Hα-helixtrans-60-41.3172.9-70.8173.5000111.7V89 C93 P105 E106 L107 S113 F138 R142 V143V89-L109 HydrophobicContact CG1-CD2 3.74Å; C93-L109 HydrophobicContact CB-CD2 4.08Å; P105-L109 WeakPolarHBondContact O-CG 3.5Å; P105-L109 PolarHBondContact O-N 3.15Å; E106-L109 WeakPolarHBondContact O-CB 3.24Å; E106-L109 PolarHBondContact O-N 2.88Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.35Å; L109-S113 WeakPolarHBondContact O-CB 3.14Å; L109-S113 PolarHBondContact O-N 2.86Å; L109-S113 PolarHBondContact O-OG 3.28Å; L109-F138 HydrophobicContact CB-CE1 4.44Å; L109-F138 HydrophobicContact CD2-CE1 4.17Å; L109-F138 HydrophobicContact CD2-CZ 4.04Å; L109-R142 HydrophobicContact CD1-CB 4.2Å; L109-V143 HydrophobicContact CB-CG1 4.29Å
110I86.3Confident80Confident0 Ų030.4 Ų30.40%019%0.187CC..Hα-helixtrans-61.5-51.1175.3-67.3163.6000110L52 E106 L107 Q108 A112 S113 V114 L139 V143 W146 W153 V156L52-I110 HydrophobicContact CD1-CG2 4.44Å; L52-I110 HydrophobicContact CD2-CG2 3.48Å; L52-I110 VanDerWaalsContact CD2-CG2 3.48Å; E106-I110 WeakPolarHBondContact O-CG1 3.36Å; E106-I110 PolarHBondContact O-N 2.89Å; L107-I110 HydrophobicContact CD1-CD1 4.44Å; L107-I110 WeakPolarHBondContact O-CB 3.03Å; L107-I110 PolarHBondContact O-N 2.79Å; L107-I110 VanDerWaalsContact O-N 3.17Å; Q108-I110 VanDerWaalsContact C-N 3.31Å; Q108-I110 PolarHBondContact O-N 3.47Å; I110-A112 PolarHBondContact O-N 3.34Å; I110-S113 PolarHBondContact O-N 3.43Å; I110-V114 HydrophobicContact CG2-CG2 4.16Å; I110-V114 WeakPolarHBondContact O-CB 3.17Å; I110-V114 WeakPolarHBondContact O-CG2 3.36Å; I110-V114 PolarHBondContact O-N 3.32Å; I110-L139 HydrophobicContact CG1-CD2 3.93Å; I110-V143 HydrophobicContact CD1-CB 4.33Å; I110-V143 HydrophobicContact CD1-CG1 4.35Å; I110-V143 HydrophobicContact CD1-CG2 4.26Å; I110-V143 HydrophobicContact CG1-CB 4.34Å; I110-V143 HydrophobicContact CG1-CG1 4.03Å; I110-V143 HydrophobicContact CG1-CG2 4.02Å; I110-W146 HydrophobicContact CD1-CZ3 4.08Å; I110-W153 HydrophobicContact CD1-CH2 3.83Å; I110-W153 HydrophobicContact CD1-CZ3 3.96Å; I110-W153 HydrophobicContact CG1-CH2 3.98Å; I110-W153 HydrophobicContact CG1-CZ3 4.44Å; I110-W153 HydrophobicContact CG2-CH2 4.12Å; I110-W153 HydrophobicContact CG2-CZ3 4.12Å; I110-V156 HydrophobicContact CD1-CG1 4.39Å
111H85.8Confident81.4Confident31 Ų3127.9 Ų27.914%0.14418%0.175CC..Hα-helixtrans-59.5-48-178.4-70.5-172.5000112.2I55 L59 L107 Q108 V114 A115I55-H111 WeakPolarHBondContact CD1-NE2 3.38Å; I55-H111 HydrophobicContact CG2-CB 4.18Å; L59-H111 HydrophobicContact CD1-CB 3.94Å; L107-H111 PolarHBondContact O-CD2 3.31Å; L107-H111 VanDerWaalsContact O-CD2 3.31Å; L107-H111 VanDerWaalsContact O-CG 3.32Å; L107-H111 PolarHBondContact O-N 2.87Å; Q108-H111 PolarHBondContact O-N 3.39Å; H111-V114 PolarHBondContact O-N 3.14Å; H111-A115 VanDerWaalsContact O-CB 3.31Å; H111-A115 WeakPolarHBondContact O-CB 3.4Å; H111-A115 PolarHBondContact O-N 3.43Å
112A85.9Confident82.6Confident6 Ų630 Ų305%0.0517%0.165CC..Hα-helixtrans-62.8-44.4177.300000111.7V89 L92 Q108 I110 V114 A115 L116V89-A112 HydrophobicContact CG1-CB 4.05Å; L92-A112 HydrophobicContact CB-CB 3.9Å; L92-A112 HydrophobicContact CD1-CB 4.38Å; Q108-A112 WeakPolarHBondContact O-CB 3.22Å; Q108-A112 PolarHBondContact O-N 3.49Å; I110-A112 PolarHBondContact O-N 3.34Å; A112-V114 PolarHBondContact O-N 3.4Å; A112-A115 PolarHBondContact O-N 3.39Å; A112-L116 WeakPolarHBondContact O-CB 3.09Å; A112-L116 PolarHBondContact O-N 3.34Å
113S88Confident83.4Confident0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-60.6-44.3177.3-61.10000112F85 L109 I110 G117F85-S113 WeakPolarHBondContact CZ-O 3.38Å; L109-S113 WeakPolarHBondContact O-CB 3.14Å; L109-S113 PolarHBondContact O-N 2.86Å; L109-S113 PolarHBondContact O-OG 3.28Å; I110-S113 PolarHBondContact O-N 3.43Å; S113-G117 PolarHBondContact O-N 2.75Å
114V87.9Confident84Confident1 Ų128.3 Ų28.31%0.00615%0.15CC..Hα-helixtrans-66.9-47.3-179.7168.10000111.3L16 L52 I110 H111 A112 L116 G117 L118 M135L16-V114 HydrophobicContact CD1-CG1 3.93Å; L16-V114 HydrophobicContact CD2-CB 4.23Å; L16-V114 HydrophobicContact CD2-CG1 3.93Å; L16-V114 HydrophobicContact CD2-CG2 3.82Å; L16-V114 HydrophobicContact CG-CG1 4.49Å; L52-V114 HydrophobicContact CB-CG1 4.09Å; L52-V114 HydrophobicContact CB-CG2 4.04Å; L52-V114 HydrophobicContact CD1-CG2 4.1Å; L52-V114 HydrophobicContact CD2-CG2 4.09Å; L52-V114 HydrophobicContact CG-CG2 4.31Å; L52-V114 WeakPolarHBondContact O-CG1 3.3Å; I110-V114 HydrophobicContact CG2-CG2 4.16Å; I110-V114 WeakPolarHBondContact O-CB 3.17Å; I110-V114 WeakPolarHBondContact O-CG2 3.36Å; I110-V114 PolarHBondContact O-N 3.32Å; H111-V114 PolarHBondContact O-N 3.14Å; A112-V114 PolarHBondContact O-N 3.4Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 2.84Å; V114-G117 PolarHBondContact O-N 3.01Å; V114-L118 HydrophobicContact CG1-CD1 3.98Å; V114-L118 HydrophobicContact CG1-CG 4.49Å; V114-L118 WeakPolarHBondContact O-CG 3.48Å; V114-L118 PolarHBondContact O-N 3.15Å; V114-M135 HydrophobicContact CB-CE 4.14Å; V114-M135 HydrophobicContact CG2-CE 3.44Å; V114-M135 VanDerWaalsContact CG2-CE 3.44Å
115A87.3Confident83.8Confident0 Ų031.3 Ų31.30%017%0.166CC..Hα-helixtrans-64.5-41.2179.900000111.5L59 N60 F65 H111 A112 Y119L59-A115 HydrophobicContact CB-CB 3.76Å; L59-A115 HydrophobicContact CD1-CB 3.82Å; L59-A115 HydrophobicContact CG-CB 4.45Å; N60-A115 WeakPolarHBondContact ND2-CA 3.23Å; N60-A115 PolarHBondContact ND2-O 3.39Å; F65-A115 HydrophobicContact CD1-CB 4.49Å; F65-A115 HydrophobicContact CE1-CB 3.39Å; F65-A115 HydrophobicContact CE2-CB 4.37Å; F65-A115 HydrophobicContact CZ-CB 3.33Å; H111-A115 VanDerWaalsContact O-CB 3.31Å; H111-A115 WeakPolarHBondContact O-CB 3.4Å; H111-A115 PolarHBondContact O-N 3.43Å; A112-A115 PolarHBondContact O-N 3.39Å; A115-Y119 WeakPolarHBondContact O-CB 3.12Å; A115-Y119 PolarHBondContact O-N 3.21Å
116L86.3Confident84Confident0 Ų031.7 Ų31.70%018%0.176CC..Hα-helixtrans-63.1-44.8173-178.262.8000112V69 T73 F85 V89 A112 V114 L118 Y119 L120V69-L116 HydrophobicContact CB-CD1 4.49Å; V69-L116 HydrophobicContact CG1-CD1 3.48Å; V69-L116 VanDerWaalsContact CG1-CD1 3.48Å; V69-L116 HydrophobicContact CG2-CD1 4.37Å; T73-L116 HydrophobicContact CG2-CD1 3.65Å; F85-L116 HydrophobicContact CB-CD2 4.33Å; F85-L116 HydrophobicContact CD1-CD2 4.45Å; F85-L116 HydrophobicContact CD2-CD2 3.4Å; F85-L116 HydrophobicContact CD2-CG 3.81Å; F85-L116 HydrophobicContact CE2-CB 4.14Å; F85-L116 HydrophobicContact CE2-CD2 3.68Å; F85-L116 HydrophobicContact CE2-CG 3.84Å; F85-L116 HydrophobicContact CG-CD2 3.82Å; F85-L116 HydrophobicContact CZ-CD2 4.31Å; V89-L116 HydrophobicContact CG2-CD2 3.76Å; A112-L116 WeakPolarHBondContact O-CB 3.09Å; A112-L116 PolarHBondContact O-N 3.34Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 2.84Å; L116-L118 PolarHBondContact O-N 3.42Å; L116-Y119 PolarHBondContact O-N 3.36Å; L116-L120 HydrophobicContact CD1-CD1 4.11Å; L116-L120 HydrophobicContact CD1-CG 4.35Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 WeakPolarHBondContact O-CB 3.45Å; L116-L120 WeakPolarHBondContact O-CG 3.34Å; L116-L120 PolarHBondContact O-N 3.39Å
117G86Confident83.8Confident0 Ų029.6 Ų29.60%017%0.166CC..Hα-helixtrans-60.2-44.8177.900000112.6L17 S113 V114 K121L17-G117 WeakPolarHBondContact CD2-O 3.2Å; S113-G117 PolarHBondContact O-N 2.75Å; V114-G117 PolarHBondContact O-N 3.01Å; G117-K121 WeakPolarHBondContact O-CB 3.46Å; G117-K121 PolarHBondContact O-N 2.84Å
118L85.3Confident83.8Confident11 Ų1130.7 Ų30.76%0.05817%0.171CC..Hα-helixtrans-67.1-38.4176.1-70170.6000112.4R53 V114 L116 K121 K122R53-L118 HydrophobicContact CG-CD1 4.37Å; R53-L118 HydrophobicContact CG-CD2 4.45Å; V114-L118 HydrophobicContact CG1-CD1 3.98Å; V114-L118 HydrophobicContact CG1-CG 4.49Å; V114-L118 WeakPolarHBondContact O-CG 3.48Å; V114-L118 PolarHBondContact O-N 3.15Å; L116-L118 PolarHBondContact O-N 3.42Å; L118-K121 PolarHBondContact O-N 3.42Å; L118-K122 WeakPolarHBondContact O-CG 3.01Å; L118-K122 PolarHBondContact O-N 2.87Å
119Y84.9Confident83.7Confident25 Ų2532.5 Ų32.510%0.09819%0.193CC..Hα-helixtrans-61.7-50.8175.7-177.4-94.1000111N60 I66 V69 K70 T73 A115 L116 K121 K122 N123N60-Y119 WeakPolarHBondContact OD1-CB 3.39Å; N60-Y119 WeakPolarHBondContact OD1-CD2 3.48Å; I66-Y119 HydrophobicContact CG2-CD2 4.45Å; I66-Y119 HydrophobicContact CG2-CE2 3.84Å; V69-Y119 HydrophobicContact CG1-CD1 3.4Å; V69-Y119 HydrophobicContact CG1-CD2 4.32Å; V69-Y119 HydrophobicContact CG1-CE1 3.91Å; V69-Y119 HydrophobicContact CG1-CG 3.62Å; K70-Y119 WeakPolarHBondContact CB-OH 3.32Å; K70-Y119 WeakPolarHBondContact CG-OH 3.47Å; T73-Y119 WeakPolarHBondContact OG1-CE1 3.39Å; A115-Y119 WeakPolarHBondContact O-CB 3.12Å; A115-Y119 PolarHBondContact O-N 3.21Å; L116-Y119 PolarHBondContact O-N 3.36Å; Y119-K121 VanDerWaalsContact C-N 3.34Å; Y119-K121 PolarHBondContact O-N 2.83Å; Y119-K122 PolarHBondContact O-N 3.45Å; Y119-K122 VanDerWaalsContact O-N 3.14Å; Y119-N123 HydrophobicContact CD1-CB 4.45Å; Y119-N123 HydrophobicContact CE1-CB 4.11Å; Y119-N123 WeakPolarHBondContact O-CB 3.37Å; Y119-N123 PolarHBondContact O-N 2.96Å
120L83.9Confident83.7Confident3 Ų337.6 Ų37.62%0.01622%0.215CC..Hα-helixtrans-64.4-37.2178.6-73.1170.2000112T73 V76 F85 L116 K122 N123 S124 V131T73-L120 HydrophobicContact CG2-CD1 4.37Å; T73-L120 HydrophobicContact CG2-CD2 3.77Å; T73-L120 HydrophobicContact CG2-CG 4.25Å; V76-L120 HydrophobicContact CG1-CD2 4.32Å; F85-L120 HydrophobicContact CD2-CD1 4.23Å; L116-L120 HydrophobicContact CD1-CD1 4.11Å; L116-L120 HydrophobicContact CD1-CG 4.35Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 WeakPolarHBondContact O-CB 3.45Å; L116-L120 WeakPolarHBondContact O-CG 3.34Å; L116-L120 PolarHBondContact O-N 3.39Å; L120-K122 VanDerWaalsContact C-N 3.33Å; L120-K122 PolarHBondContact O-N 3.22Å; L120-N123 PolarHBondContact O-N 2.86Å; L120-S124 CarbonylContact O-C 3.54Å; L120-S124 VanDerWaalsContact O-CA 3.26Å; L120-S124 WeakPolarHBondContact O-CA 3.28Å; L120-S124 PolarHBondContact O-N 2.9Å; L120-S124 VanDerWaalsContact O-O 3.13Å; L120-V131 HydrophobicContact CB-CG1 4.38Å; L120-V131 HydrophobicContact CB-CG2 3.95Å; L120-V131 HydrophobicContact CD1-CG1 4.18Å; L120-V131 HydrophobicContact CD1-CG2 3.61Å; L120-V131 HydrophobicContact CG-CG2 4.36Å
121K83.3Confident83.7Confident40 Ų4037.7 Ų37.717%0.17422%0.215CC..Hα-helixtrans-56.6-46.9171.4177.3-175.4174.2177.60111.4L17 A18 D19 G117 L118 Y119L17-K121 HydrophobicContact CD2-CB 4.08Å; L17-K121 HydrophobicContact CD2-CD 4.36Å; L17-K121 WeakPolarHBondContact O-CD 3.22Å; L17-K121 WeakPolarHBondContact O-CE 3.47Å; L17-K121 PolarHBondContact O-NZ 3.27Å; A18-K121 PolarHBondContact O-NZ 3.19Å; D19-K121 IonicContact OD1-NZ 3.28Å; G117-K121 WeakPolarHBondContact O-CB 3.46Å; G117-K121 PolarHBondContact O-N 2.84Å; L118-K121 PolarHBondContact O-N 3.42Å; Y119-K121 VanDerWaalsContact C-N 3.34Å; Y119-K121 PolarHBondContact O-N 2.83Å
122K81.6Confident83.7Confident142 Ų14238.1 Ų38.162%0.61722%0.218SC*.Hα-helixtrans-71.8-40.5-178.4-73.5-179.7179.61750112.5D57 L118 Y119 L120D57-K122 IonicContact OD2-NZ 3.59Å; D57-K122 PolarHBondContact OD2-NZ 2.99Å; L118-K122 WeakPolarHBondContact O-CG 3.01Å; L118-K122 PolarHBondContact O-N 2.87Å; Y119-K122 PolarHBondContact O-N 3.45Å; Y119-K122 VanDerWaalsContact O-N 3.14Å; L120-K122 VanDerWaalsContact C-N 3.33Å; L120-K122 PolarHBondContact O-N 3.22Å
123N80.4Confident83.7Confident100 Ų10043.1 Ų43.154%0.53524%0.244SC..Hα-helixtrans-90.3-24.7-173.5-165.273.1000113.6Y119 L120Y119-N123 HydrophobicContact CD1-CB 4.45Å; Y119-N123 HydrophobicContact CE1-CB 4.11Å; Y119-N123 WeakPolarHBondContact O-CB 3.37Å; Y119-N123 PolarHBondContact O-N 2.96Å; L120-N123 PolarHBondContact O-N 2.86Å
124S78.4Confident83.6Confident30 Ų3043.6 Ų43.621%0.2125%0.248CC..  trans-148.470.1-172.3-58.30000111L120 A126 L127L120-S124 CarbonylContact O-C 3.54Å; L120-S124 VanDerWaalsContact O-CA 3.26Å; L120-S124 WeakPolarHBondContact O-CA 3.28Å; L120-S124 PolarHBondContact O-N 2.9Å; L120-S124 VanDerWaalsContact O-O 3.13Å; S124-A126 PolarHBondContact O-N 3.33Å; S124-A126 VanDerWaalsContact O-N 3.09Å; S124-L127 WeakPolarHBondContact O-CB 3.15Å; S124-L127 PolarHBondContact O-N 2.93Å
125P76.4Confident83.5Confident95 Ų9543.6 Ų43.662%0.61725%0.248SC*.G310 helixtrans-59.7-24.8-178.624-34.3000113.2L127 K128P125-L127 PolarHBondContact O-N 3.48Å; P125-K128 WeakPolarHBondContact O-CB 3.26Å; P125-K128 PolarHBondContact O-N 2.94Å
126A82Confident83.5Confident85 Ų8544.1 Ų44.170%0.70225%0.251SS*.G310 helixtrans-60.5-31.2172.800000113S124S124-A126 PolarHBondContact O-N 3.33Å; S124-A126 VanDerWaalsContact O-N 3.09Å
127L80.9Confident83.5Confident12 Ų1247.7 Ų47.76%0.06328%0.276CS..G310 helixtrans-86-8.8-179.8-62178.2000113.3V76 E78 V81 S124 P125 G129 K130 V131V76-L127 HydrophobicContact CG1-CD1 3.64Å; E78-L127 HydrophobicContact CB-CD2 3.99Å; E78-L127 HydrophobicContact CG-CD2 3.55Å; V81-L127 HydrophobicContact CG2-CD1 4.45Å; S124-L127 WeakPolarHBondContact O-CB 3.15Å; S124-L127 PolarHBondContact O-N 2.93Å; P125-L127 PolarHBondContact O-N 3.48Å; L127-G129 VanDerWaalsContact C-N 3.3Å; L127-G129 PolarHBondContact O-N 3.4Å; L127-G129 VanDerWaalsContact O-N 3.16Å; L127-K130 PolarHBondContact O-N 3.23Å; L127-V131 HydrophobicContact CB-CG2 4.07Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.24Å
128K82.3Confident83.6Confident35 Ų3548 Ų4815%0.15228%0.278CS..Hα-helixtrans-46.3-50.8-174.5176.3-177.4164.9-174.50112.3L17 D19 E22 P125 K130 V131 M132L17-K128 WeakPolarHBondContact O-CE 3.34Å; D19-K128 IonicContact OD2-NZ 2.7Å; D19-K128 PolarHBondContact OD2-NZ 2.88Å; E22-K128 IonicContact OE2-NZ 3.01Å; E22-K128 PolarHBondContact OE2-NZ 3.28Å; P125-K128 WeakPolarHBondContact O-CB 3.26Å; P125-K128 PolarHBondContact O-N 2.94Å; K128-K130 VanDerWaalsContact C-N 3.35Å; K128-K130 PolarHBondContact O-N 3.2Å; K128-V131 PolarHBondContact O-N 2.91Å; K128-M132 WeakPolarHBondContact O-CB 3.48Å; K128-M132 PolarHBondContact O-N 2.99Å
129G80.6Confident83.6Confident53 Ų5347.6 Ų47.655%0.54628%0.275SS..Hα-helixtrans-63.3-37.9-177.900000113.5L127 N133L127-G129 VanDerWaalsContact C-N 3.3Å; L127-G129 PolarHBondContact O-N 3.4Å; L127-G129 VanDerWaalsContact O-N 3.16Å; G129-N133 PolarHBondContact O-N 3.39Å
130K85.3Confident83.7Confident121 Ų12148.3 Ų48.353%0.52628%0.281SS..Hα-helixtrans-75.1-41.5178-68-76.8-174.2164.90112V81 L127 K128 M132 N133 A134V81-K130 HydrophobicContact CG1-CB 3.43Å; V81-K130 VanDerWaalsContact CG1-CB 3.43Å; V81-K130 HydrophobicContact CG1-CG 4.21Å; L127-K130 PolarHBondContact O-N 3.23Å; K128-K130 VanDerWaalsContact C-N 3.35Å; K128-K130 PolarHBondContact O-N 3.2Å; K130-M132 VanDerWaalsContact C-N 3.29Å; K130-M132 PolarHBondContact O-N 3.26Å; K130-N133 PolarHBondContact O-N 2.64Å; K130-A134 WeakPolarHBondContact O-CB 3.34Å; K130-A134 PolarHBondContact O-N 2.98Å
131V85.3Confident83.9Confident1 Ų157.8 Ų57.81%0.00632%0.317CS..Hα-helixtrans-59.7-43.9174.9172.30000110.3L17 V81 F85 L120 L127 K128 N133 A134 M135L17-V131 HydrophobicContact CD1-CG1 4.48Å; V81-V131 HydrophobicContact CG2-CG2 3.57Å; F85-V131 HydrophobicContact CD2-CG1 4.2Å; F85-V131 HydrophobicContact CE2-CG1 4.05Å; L120-V131 HydrophobicContact CB-CG1 4.38Å; L120-V131 HydrophobicContact CB-CG2 3.95Å; L120-V131 HydrophobicContact CD1-CG1 4.18Å; L120-V131 HydrophobicContact CD1-CG2 3.61Å; L120-V131 HydrophobicContact CG-CG2 4.36Å; L127-V131 HydrophobicContact CB-CG2 4.07Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.24Å; K128-V131 PolarHBondContact O-N 2.91Å; V131-N133 PolarHBondContact O-N 3.42Å; V131-A134 PolarHBondContact O-N 3.27Å; V131-M135 WeakPolarHBondContact O-CB 3.24Å; V131-M135 PolarHBondContact O-N 3.11Å
132M85.6Confident83.9Confident41 Ų4162 Ų6220%0.20233%0.331CS..Hα-helixtrans-59.8-46.2177.1-171.1-177.5165.200112V13 F14 L17 K128 K130 S136V13-M132 HydrophobicContact CG1-CG 3.8Å; F14-M132 HydrophobicContact CB-CE 3.38Å; F14-M132 HydrophobicContact CD2-CE 3.42Å; F14-M132 VanDerWaalsContact CD2-CE 3.42Å; F14-M132 HydrophobicContact CD2-SD 4.48Å; F14-M132 HydrophobicContact CE2-CE 4.45Å; F14-M132 HydrophobicContact CG-CE 3.77Å; L17-M132 HydrophobicContact CD1-CB 3.77Å; L17-M132 HydrophobicContact CD1-CG 3.98Å; K128-M132 WeakPolarHBondContact O-CB 3.48Å; K128-M132 PolarHBondContact O-N 2.99Å; K130-M132 VanDerWaalsContact C-N 3.29Å; K130-M132 PolarHBondContact O-N 3.26Å; M132-S136 WeakPolarHBondContact O-CB 3.42Å; M132-S136 PolarHBondContact O-N 2.98Å; M132-S136 PolarHBondContact O-OG 2.89Å
133N85.6Confident84.1Confident111 Ų11155.2 Ų55.259%0.59430%0.302SS*.Hα-helixtrans-66-43176.8-171.547.6000112.3G129 K130 V131 S137G129-N133 PolarHBondContact O-N 3.39Å; K130-N133 PolarHBondContact O-N 2.64Å; V131-N133 PolarHBondContact O-N 3.42Å; N133-S137 VanDerWaalsContact O-CB 3.26Å; N133-S137 WeakPolarHBondContact O-CB 3.38Å; N133-S137 PolarHBondContact O-N 3.41Å
134A86.5Confident84.2Confident10 Ų1051.7 Ų51.78%0.08329%0.285CS..Hα-helixtrans-61.9-46.8177.200000111.3A82 F85 K130 V131 S137 F138A82-A134 HydrophobicContact CB-CB 4.05Å; F85-A134 HydrophobicContact CB-CB 4.43Å; F85-A134 HydrophobicContact CG-CB 4.44Å; K130-A134 WeakPolarHBondContact O-CB 3.34Å; K130-A134 PolarHBondContact O-N 2.98Å; V131-A134 PolarHBondContact O-N 3.27Å; A134-S137 PolarHBondContact O-N 2.89Å; A134-F138 WeakPolarHBondContact O-CB 3.19Å; A134-F138 PolarHBondContact O-N 2.84Å
135M86.3Confident84.6Confident1 Ų159.6 Ų59.61%0.00531%0.31CS..Hα-helixtrans-63.5-48.5178.8-176.1174.7177.600111.8V13 L16 L17 F85 V114 V131 S137 F138 L139V13-M135 HydrophobicContact CG1-CB 4.16Å; V13-M135 HydrophobicContact CG1-CG 4.12Å; V13-M135 HydrophobicContact CG1-SD 4.07Å; V13-M135 HydrophobicContact CG2-CE 4.24Å; V13-M135 HydrophobicContact CG2-CG 4.09Å; V13-M135 HydrophobicContact CG2-SD 4.34Å; L16-M135 HydrophobicContact CD2-CE 3.48Å; L16-M135 VanDerWaalsContact CD2-CE 3.48Å; L16-M135 HydrophobicContact CD2-SD 4.09Å; L17-M135 HydrophobicContact CD1-SD 4.29Å; F85-M135 HydrophobicContact CE1-CB 4.07Å; F85-M135 HydrophobicContact CE1-CG 4.34Å; F85-M135 HydrophobicContact CE2-CB 4.24Å; F85-M135 HydrophobicContact CZ-CB 3.65Å; F85-M135 HydrophobicContact CZ-CG 3.78Å; F85-M135 HydrophobicContact CZ-SD 4.32Å; V114-M135 HydrophobicContact CB-CE 4.14Å; V114-M135 HydrophobicContact CG2-CE 3.44Å; V114-M135 VanDerWaalsContact CG2-CE 3.44Å; V131-M135 WeakPolarHBondContact O-CB 3.24Å; V131-M135 PolarHBondContact O-N 3.11Å; M135-S137 VanDerWaalsContact C-N 3.35Å; M135-S137 PolarHBondContact O-N 3.47Å; M135-F138 PolarHBondContact O-N 3.09Å; M135-L139 HydrophobicContact CE-CD1 3.73Å; M135-L139 HydrophobicContact CG-CD1 3.85Å; M135-L139 HydrophobicContact CG-CG 4.32Å; M135-L139 WeakPolarHBondContact O-CB 3.28Å; M135-L139 VanDerWaalsContact O-CG 3.28Å; M135-L139 WeakPolarHBondContact O-CG 3.37Å; M135-L139 PolarHBondContact O-N 3.09Å
136S86.1Confident85Confident10 Ų1056.3 Ų56.37%0.0729%0.286CS..Hα-helixtrans-58.4-46.5175.7-74.80000111.7V13 M132 N140V13-S136 WeakPolarHBondContact CB-OG 3.46Å; V13-S136 WeakPolarHBondContact CG1-OG 3.4Å; M132-S136 WeakPolarHBondContact O-CB 3.42Å; M132-S136 PolarHBondContact O-N 2.98Å; M132-S136 PolarHBondContact O-OG 2.89Å; S136-N140 WeakPolarHBondContact O-CB 3.37Å; S136-N140 PolarHBondContact O-N 3.43Å
137S87.4Confident85.1Confident75 Ų7552.2 Ų52.252%0.52425%0.252SS..Hα-helixtrans-63.6-45.5178.8-171.30000111.9N133 A134 M135 N140 R141N133-S137 VanDerWaalsContact O-CB 3.26Å; N133-S137 WeakPolarHBondContact O-CB 3.38Å; N133-S137 PolarHBondContact O-N 3.41Å; A134-S137 PolarHBondContact O-N 2.89Å; M135-S137 VanDerWaalsContact C-N 3.35Å; M135-S137 PolarHBondContact O-N 3.47Å; S137-N140 PolarHBondContact O-N 3.46Å; S137-R141 WeakPolarHBondContact O-CB 3.34Å; S137-R141 PolarHBondContact O-N 2.93Å
138F87.4Confident85.3Confident7 Ų755.6 Ų55.63%0.03127%0.27CS..Hα-helixtrans-63-50.4179.6-177.9-99.8000111.8E86 V89 L109 A134 M135 N140 R141 R142E86-F138 HydrophobicContact CB-CD2 4.27Å; E86-F138 HydrophobicContact CB-CE2 4.26Å; E86-F138 HydrophobicContact CG-CD2 3.6Å; E86-F138 HydrophobicContact CG-CE2 4.08Å; E86-F138 HydrophobicContact CG-CG 4.42Å; E86-F138 WeakPolarHBondContact OE1-CD2 3.39Å; V89-F138 HydrophobicContact CB-CE1 4.31Å; V89-F138 HydrophobicContact CB-CZ 4.3Å; V89-F138 HydrophobicContact CG1-CE1 3.58Å; V89-F138 HydrophobicContact CG1-CZ 3.78Å; L109-F138 HydrophobicContact CB-CE1 4.44Å; L109-F138 HydrophobicContact CD2-CE1 4.17Å; L109-F138 HydrophobicContact CD2-CZ 4.04Å; A134-F138 WeakPolarHBondContact O-CB 3.19Å; A134-F138 PolarHBondContact O-N 2.84Å; M135-F138 PolarHBondContact O-N 3.09Å; F138-N140 VanDerWaalsContact C-N 3.3Å; F138-N140 PolarHBondContact O-N 3.43Å; F138-R141 PolarHBondContact O-N 2.89Å; F138-R141 VanDerWaalsContact O-N 3.15Å; F138-R142 HydrophobicContact CD1-CG 4.47Å; F138-R142 HydrophobicContact CD2-CG 4.06Å; F138-R142 HydrophobicContact CE1-CB 4.44Å; F138-R142 HydrophobicContact CE1-CG 4.15Å; F138-R142 HydrophobicContact CE2-CG 3.77Å; F138-R142 HydrophobicContact CG-CG 4.44Å; F138-R142 HydrophobicContact CZ-CG 3.83Å; F138-R142 WeakPolarHBondContact O-CB 3Å; F138-R142 PolarHBondContact O-N 3.14Å
139L86.4Confident85.3Confident2 Ų261.2 Ų61.21%0.0130%0.295CS..Hα-helixtrans-63.1-40.8178.4-69.1176.2000110.8T9 V13 I110 M135 R141 R142 V143 S144 W153T9-L139 HydrophobicContact CG2-CB 3.61Å; T9-L139 HydrophobicContact CG2-CD1 4.25Å; V13-L139 HydrophobicContact CG2-CD1 3.78Å; I110-L139 HydrophobicContact CG1-CD2 3.93Å; M135-L139 HydrophobicContact CE-CD1 3.73Å; M135-L139 HydrophobicContact CG-CD1 3.85Å; M135-L139 HydrophobicContact CG-CG 4.32Å; M135-L139 WeakPolarHBondContact O-CB 3.28Å; M135-L139 VanDerWaalsContact O-CG 3.28Å; M135-L139 WeakPolarHBondContact O-CG 3.37Å; M135-L139 PolarHBondContact O-N 3.09Å; L139-R141 VanDerWaalsContact C-N 3.26Å; L139-R141 PolarHBondContact O-N 3.33Å; L139-R142 PolarHBondContact O-N 3.12Å; L139-V143 HydrophobicContact CB-CG2 3.74Å; L139-V143 HydrophobicContact CD2-CG2 3.65Å; L139-V143 HydrophobicContact CG-CG2 4.29Å; L139-V143 WeakPolarHBondContact O-CA 3.43Å; L139-V143 WeakPolarHBondContact O-CG2 3.36Å; L139-V143 PolarHBondContact O-N 3.27Å; L139-S144 PolarHBondContact O-N 2.93Å; L139-S144 VanDerWaalsContact O-N 3.09Å; L139-W153 HydrophobicContact CD1-CH2 4.46Å
140N86.6Confident85.3Confident41 Ų4162.4 Ų62.422%0.21929%0.286CS..Hα-helixtrans-63.7-34.6176.9-160.2-107.3000112.8K6 S136 S137 F138 S144K6-N140 WeakPolarHBondContact CA-ND2 3.5Å; K6-N140 VanDerWaalsContact CB-ND2 3.27Å; K6-N140 WeakPolarHBondContact CB-ND2 3.46Å; K6-N140 WeakPolarHBondContact CG-ND2 3.31Å; S136-N140 WeakPolarHBondContact O-CB 3.37Å; S136-N140 PolarHBondContact O-N 3.43Å; S137-N140 PolarHBondContact O-N 3.46Å; F138-N140 VanDerWaalsContact C-N 3.3Å; F138-N140 PolarHBondContact O-N 3.43Å; N140-S144 WeakPolarHBondContact O-CB 3.29Å
141R87.1Confident85Confident202 Ų20258.4 Ų58.476%0.76228%0.279SS*.Hα-helixtrans-78.7-40.2179.5-168.9176.7179.8-172.60.2112.8S137 F138 L139S137-R141 WeakPolarHBondContact O-CB 3.34Å; S137-R141 PolarHBondContact O-N 2.93Å; F138-R141 PolarHBondContact O-N 2.89Å; F138-R141 VanDerWaalsContact O-N 3.15Å; L139-R141 VanDerWaalsContact C-N 3.26Å; L139-R141 PolarHBondContact O-N 3.33Å
142R84.4Confident84.8Confident127 Ų12758.4 Ų58.448%0.47928%0.28SS..Hα-helixtrans-94-44.1-171.1-68-69.5-123.6146.83.1113.2D90 L109 F138 L139D90-R142 IonicContact OD2-NH2 3.52Å; L109-R142 HydrophobicContact CD1-CB 4.2Å; F138-R142 HydrophobicContact CD1-CG 4.47Å; F138-R142 HydrophobicContact CD2-CG 4.06Å; F138-R142 HydrophobicContact CE1-CB 4.44Å; F138-R142 HydrophobicContact CE1-CG 4.15Å; F138-R142 HydrophobicContact CE2-CG 3.77Å; F138-R142 HydrophobicContact CG-CG 4.44Å; F138-R142 HydrophobicContact CZ-CG 3.83Å; F138-R142 WeakPolarHBondContact O-CB 3Å; F138-R142 PolarHBondContact O-N 3.14Å; L139-R142 PolarHBondContact O-N 3.12Å
143V84.4Confident84.6Confident0 Ų056.5 Ų56.50%027%0.27CS..THydrogen-bonded Turntrans-108.2-15-171.5-59.90000114.5E106 L109 I110 L139 R145 W146 V147 W153E106-V143 HydrophobicContact CB-CB 4.45Å; E106-V143 HydrophobicContact CB-CG1 3.77Å; E106-V143 HydrophobicContact CG-CG1 4.26Å; E106-V143 WeakPolarHBondContact O-CG1 3.44Å; L109-V143 HydrophobicContact CB-CG1 4.29Å; I110-V143 HydrophobicContact CD1-CB 4.33Å; I110-V143 HydrophobicContact CD1-CG1 4.35Å; I110-V143 HydrophobicContact CD1-CG2 4.26Å; I110-V143 HydrophobicContact CG1-CB 4.34Å; I110-V143 HydrophobicContact CG1-CG1 4.03Å; I110-V143 HydrophobicContact CG1-CG2 4.02Å; L139-V143 HydrophobicContact CB-CG2 3.74Å; L139-V143 HydrophobicContact CD2-CG2 3.65Å; L139-V143 HydrophobicContact CG-CG2 4.29Å; L139-V143 WeakPolarHBondContact O-CA 3.43Å; L139-V143 WeakPolarHBondContact O-CG2 3.36Å; L139-V143 PolarHBondContact O-N 3.27Å; V143-R145 VanDerWaalsContact C-N 3.26Å; V143-R145 PolarHBondContact O-N 2.63Å; V143-R145 VanDerWaalsContact O-N 3.14Å; V143-W146 WeakPolarHBondContact O-CA 3.42Å; V143-W146 WeakPolarHBondContact O-CB 3.27Å; V143-W146 PolarHBondContact O-N 3.48Å; V143-V147 HydrophobicContact CB-CG2 4.38Å; V143-V147 HydrophobicContact CG2-CG2 4.41Å; V143-V147 WeakPolarHBondContact O-CG2 3.1Å; V143-V147 PolarHBondContact O-N 3.17Å; V143-W153 HydrophobicContact CG2-CZ2 4.42Å
144S84.1Confident84.2Confident27 Ų2754.7 Ų54.719%0.18926%0.261CS..Hα-helixtrans-50.9-43.6179.9-178.40000113.5I5 L139 N140 W146 V147 D148I5-S144 WeakPolarHBondContact CG2-OG 3.2Å; L139-S144 PolarHBondContact O-N 2.93Å; L139-S144 VanDerWaalsContact O-N 3.09Å; N140-S144 WeakPolarHBondContact O-CB 3.29Å; S144-W146 VanDerWaalsContact C-N 3.33Å; S144-W146 PolarHBondContact O-N 3.38Å; S144-V147 PolarHBondContact O-N 3.2Å; S144-D148 VanDerWaalsContact O-CB 3.29Å; S144-D148 WeakPolarHBondContact O-CB 2.86Å; S144-D148 PolarHBondContact O-N 3.29Å
145R85.2Confident83.9Confident195 Ų19559.8 Ų59.874%0.73628%0.281SS*.Hα-helixtrans-67.7-32.1178-168.9177.7-171.9178.33.1113.1V143 K149V143-R145 VanDerWaalsContact C-N 3.26Å; V143-R145 PolarHBondContact O-N 2.63Å; V143-R145 VanDerWaalsContact O-N 3.14Å; R145-K149 VanDerWaalsContact O-CG 3.31Å; R145-K149 WeakPolarHBondContact O-CG 3.32Å; R145-K149 PolarHBondContact O-N 2.84Å
146W85.9Confident83.6Confident26 Ų2660 Ų6010%0.09828%0.282CS..Hα-helixtrans-77-43.4177.6178.792.6000110.9A104 E106 L107 I110 V143 S144 D148 K149 Q150 V156A104-W146 HydrophobicContact CB-CZ2 3.85Å; E106-W146 HydrophobicContact CB-CB 3.89Å; E106-W146 HydrophobicContact CB-CD2 3.63Å; E106-W146 HydrophobicContact CB-CE3 3.97Å; E106-W146 HydrophobicContact CB-CG 3.59Å; E106-W146 HydrophobicContact CG-CB 3.56Å; E106-W146 HydrophobicContact CG-CD2 4.22Å; E106-W146 HydrophobicContact CG-CG 3.61Å; L107-W146 HydrophobicContact CB-CH2 4.2Å; L107-W146 HydrophobicContact CD1-CH2 4.24Å; I110-W146 HydrophobicContact CD1-CZ3 4.08Å; V143-W146 WeakPolarHBondContact O-CA 3.42Å; V143-W146 WeakPolarHBondContact O-CB 3.27Å; V143-W146 PolarHBondContact O-N 3.48Å; S144-W146 VanDerWaalsContact C-N 3.33Å; S144-W146 PolarHBondContact O-N 3.38Å; W146-D148 VanDerWaalsContact C-N 3.31Å; W146-D148 PolarHBondContact O-N 2.99Å; W146-K149 WeakPolarHBondContact O-CB 3.45Å; W146-K149 PolarHBondContact O-N 3.09Å; W146-K149 VanDerWaalsContact O-N 3.09Å; W146-Q150 HydrophobicContact CD2-CG 4.1Å; W146-Q150 HydrophobicContact CE3-CG 4.12Å; W146-Q150 HydrophobicContact CH2-CG 4.09Å; W146-Q150 HydrophobicContact CZ2-CG 4.04Å; W146-Q150 HydrophobicContact CZ3-CG 4.13Å; W146-Q150 WeakPolarHBondContact O-CG 3.32Å; W146-Q150 PolarHBondContact O-N 3.03Å; W146-V156 HydrophobicContact CE3-CG2 4.45Å; W146-V156 HydrophobicContact CH2-CG1 3.88Å; W146-V156 HydrophobicContact CH2-CG2 4.47Å; W146-V156 HydrophobicContact CZ3-CB 4.25Å; W146-V156 HydrophobicContact CZ3-CG1 3.61Å; W146-V156 HydrophobicContact CZ3-CG2 3.76Å
147V83.9Confident83Confident0 Ų063.6 Ų63.60%031%0.305CS..Hα-helixtrans-59.1-43.5173.9176.70000110.9I5 V143 S144 K149 Q150 G151 G152 W153 V156I5-V147 HydrophobicContact CD1-CG1 4.09Å; I5-V147 HydrophobicContact CG2-CB 4.01Å; I5-V147 HydrophobicContact CG2-CG1 3.92Å; V143-V147 HydrophobicContact CB-CG2 4.38Å; V143-V147 HydrophobicContact CG2-CG2 4.41Å; V143-V147 WeakPolarHBondContact O-CG2 3.1Å; V143-V147 PolarHBondContact O-N 3.17Å; S144-V147 PolarHBondContact O-N 3.2Å; V147-K149 VanDerWaalsContact C-N 3.31Å; V147-K149 PolarHBondContact O-N 3.48Å; V147-Q150 PolarHBondContact O-N 2.73Å; V147-Q150 VanDerWaalsContact O-N 3.11Å; V147-G151 PolarHBondContact O-N 3.01Å; V147-G152 VanDerWaalsContact CG1-C 3.44Å; V147-G152 PolarHBondContact O-N 2.96Å; V147-W153 HydrophobicContact CG1-CB 4.24Å; V147-W153 HydrophobicContact CG1-CD2 4.15Å; V147-W153 HydrophobicContact CG1-CG 3.71Å; V147-W153 HydrophobicContact CG2-CD2 4.29Å; V147-W153 HydrophobicContact CG2-CZ2 4.22Å; V147-V156 HydrophobicContact CB-CG2 4.4Å; V147-V156 HydrophobicContact CG1-CG2 4.07Å; V147-V156 HydrophobicContact CG2-CG2 4Å
148D84.1Confident82.1Confident82 Ų8261.7 Ų61.744%0.43929%0.29SS..Hα-helixtrans-56.3-44.7173.5-177.4-106.9000111.8I5 S144 W146 Q150 G151I5-D148 HydrophobicContact CG1-CB 4.03Å; S144-D148 VanDerWaalsContact O-CB 3.29Å; S144-D148 WeakPolarHBondContact O-CB 2.86Å; S144-D148 PolarHBondContact O-N 3.29Å; W146-D148 VanDerWaalsContact C-N 3.31Å; W146-D148 PolarHBondContact O-N 2.99Å; D148-Q150 VanDerWaalsContact C-N 3.31Å; D148-Q150 PolarHBondContact O-N 2.83Å; D148-G151 PolarHBondContact O-N 2.93Å
149K83.8Confident81.8Confident153 Ų15364.4 Ų64.467%0.66530%0.303SS*.Hα-helixtrans-65-30.8175.8-74.9175.1178.5-175.50113.9R145 W146 V147 G151R145-K149 VanDerWaalsContact O-CG 3.31Å; R145-K149 WeakPolarHBondContact O-CG 3.32Å; R145-K149 PolarHBondContact O-N 2.84Å; W146-K149 WeakPolarHBondContact O-CB 3.45Å; W146-K149 PolarHBondContact O-N 3.09Å; W146-K149 VanDerWaalsContact O-N 3.09Å; V147-K149 VanDerWaalsContact C-N 3.31Å; V147-K149 PolarHBondContact O-N 3.48Å; K149-G151 PolarHBondContact O-N 3.17Å
150Q80.5Confident81.5Confident78 Ų7867.7 Ų67.736%0.36432%0.319SS..Hα-helixtrans-71.2-16.5173.8-62.5-56.8-3100111.7W146 V147 D148 K155 V156W146-Q150 HydrophobicContact CD2-CG 4.1Å; W146-Q150 HydrophobicContact CE3-CG 4.12Å; W146-Q150 HydrophobicContact CH2-CG 4.09Å; W146-Q150 HydrophobicContact CZ2-CG 4.04Å; W146-Q150 HydrophobicContact CZ3-CG 4.13Å; W146-Q150 WeakPolarHBondContact O-CG 3.32Å; W146-Q150 PolarHBondContact O-N 3.03Å; V147-Q150 PolarHBondContact O-N 2.73Å; V147-Q150 VanDerWaalsContact O-N 3.11Å; D148-Q150 VanDerWaalsContact C-N 3.31Å; D148-Q150 PolarHBondContact O-N 2.83Å; Q150-K155 HydrophobicContact CB-CB 4.16Å; Q150-K155 WeakPolarHBondContact O-CB 3.48Å; Q150-K155 WeakPolarHBondContact O-CG 3.48Å; Q150-V156 HydrophobicContact CB-CG2 4.46Å; Q150-V156 HydrophobicContact CG-CG2 4.47Å
151G78.4Confident81.3Confident37 Ų3769.2 Ų69.238%0.38132%0.324SS..THydrogen-bonded Turntrans95.217.9-17300000113.3V147 D148 K149V147-G151 PolarHBondContact O-N 3.01Å; D148-G151 PolarHBondContact O-N 2.93Å; K149-G151 PolarHBondContact O-N 3.17Å
152G81.2Confident80.9Confident2 Ų261.4 Ų61.42%0.02130%0.298CS..SBendtrans113.3172.1179.800000113.3V147 D154 K155V147-G152 VanDerWaalsContact CG1-C 3.44Å; V147-G152 PolarHBondContact O-N 2.96Å; G152-D154 PolarHBondContact O-N 3.08Å; G152-K155 PolarHBondContact O-N 2.91Å; G152-K155 VanDerWaalsContact O-N 3.12Å
153W81Confident80.7Confident1 Ų157.3 Ų57.30%0.00429%0.287CS..G310 helixtrans-64.2-24.6-177.9-86.7100.7000113.9T9 F43 I48 L52 I110 L139 V143 V147 K155 V156T9-W153 HydrophobicContact CG2-CZ2 4.04Å; T9-W153 PolarHBondContact OG1-NE1 3.42Å; F43-W153 HydrophobicContact CD2-CB 3.97Å; F43-W153 HydrophobicContact CE2-CB 3.59Å; F43-W153 HydrophobicContact CE2-CG 4.29Å; I48-W153 HydrophobicContact CD1-CB 3.75Å; I48-W153 HydrophobicContact CG2-CE3 3.85Å; I48-W153 HydrophobicContact CG2-CZ3 4.47Å; L52-W153 HydrophobicContact CD1-CZ3 4.01Å; I110-W153 HydrophobicContact CD1-CH2 3.83Å; I110-W153 HydrophobicContact CD1-CZ3 3.96Å; I110-W153 HydrophobicContact CG1-CH2 3.98Å; I110-W153 HydrophobicContact CG1-CZ3 4.44Å; I110-W153 HydrophobicContact CG2-CH2 4.12Å; I110-W153 HydrophobicContact CG2-CZ3 4.12Å; L139-W153 HydrophobicContact CD1-CH2 4.46Å; V143-W153 HydrophobicContact CG2-CZ2 4.42Å; V147-W153 HydrophobicContact CG1-CB 4.24Å; V147-W153 HydrophobicContact CG1-CD2 4.15Å; V147-W153 HydrophobicContact CG1-CG 3.71Å; V147-W153 HydrophobicContact CG2-CD2 4.29Å; V147-W153 HydrophobicContact CG2-CZ2 4.22Å; W153-K155 VanDerWaalsContact C-N 3.26Å; W153-K155 PolarHBondContact O-N 3Å; W153-V156 HydrophobicContact CE3-CG2 4.36Å; W153-V156 WeakPolarHBondContact O-CB 3.39Å; W153-V156 PolarHBondContact O-N 3.29Å
154D77Confident80.5Confident73 Ų7361.1 Ų61.139%0.3931%0.306SS..G310 helixtrans-63.3-32.1173.9172.8-104.5000112.6G152G152-D154 PolarHBondContact O-N 3.08Å
155K81.4Confident80.2Confident117 Ų11763.5 Ų63.551%0.50931%0.314SS..G310 helixtrans-90.4-4.7-178.3-58.5-56.5-178.9-138.70113.4Q150 G152 W153Q150-K155 HydrophobicContact CB-CB 4.16Å; Q150-K155 WeakPolarHBondContact O-CB 3.48Å; Q150-K155 WeakPolarHBondContact O-CG 3.48Å; G152-K155 PolarHBondContact O-N 2.91Å; G152-K155 VanDerWaalsContact O-N 3.12Å; W153-K155 VanDerWaalsContact C-N 3.26Å; W153-K155 PolarHBondContact O-N 3Å
156V80.4Confident79.8Confident4 Ų453.4 Ų53.42%0.02428%0.282CS..SBendtrans-71.1129.2176.7174.30000108.5L107 I110 W146 V147 Q150 W153 V158L107-V156 HydrophobicContact CD1-CG1 3.86Å; I110-V156 HydrophobicContact CD1-CG1 4.39Å; W146-V156 HydrophobicContact CE3-CG2 4.45Å; W146-V156 HydrophobicContact CH2-CG1 3.88Å; W146-V156 HydrophobicContact CH2-CG2 4.47Å; W146-V156 HydrophobicContact CZ3-CB 4.25Å; W146-V156 HydrophobicContact CZ3-CG1 3.61Å; W146-V156 HydrophobicContact CZ3-CG2 3.76Å; V147-V156 HydrophobicContact CB-CG2 4.4Å; V147-V156 HydrophobicContact CG1-CG2 4.07Å; V147-V156 HydrophobicContact CG2-CG2 4Å; Q150-V156 HydrophobicContact CB-CG2 4.46Å; Q150-V156 HydrophobicContact CG-CG2 4.47Å; W153-V156 HydrophobicContact CE3-CG2 4.36Å; W153-V156 WeakPolarHBondContact O-CB 3.39Å; W153-V156 PolarHBondContact O-N 3.29Å; V156-V158 HydrophobicContact CG1-CG1 3.63Å; V156-V158 HydrophobicContact CG1-CG2 4.37Å; V156-V158 PolarHBondContact O-N 2.99Å
157P72.9Confident79.3Confident86 Ų8655.7 Ų55.756%0.55830%0.297SS*.  trans-74.770.9178.331.4-36.9000111.4L107L107-P157 HydrophobicContact CD2-CG 4.22Å; L107-P157 WeakPolarHBondContact CD2-O 3.44Å
158V67.3Low78.9Confident35 Ų3560.7 Ų60.721%0.21232%0.324CS..  trans-107.20171.7-70.70000111.9I48 R51 L52 I55 L107 V156I48-V158 HydrophobicContact CG2-CG2 4.38Å; R51-V158 HydrophobicContact CB-CG2 4.4Å; R51-V158 WeakPolarHBondContact CD-O 3.49Å; R51-V158 PolarHBondContact NH1-O 3.14Å; R51-V158 VanDerWaalsContact NH1-O 3.09Å; L52-V158 HydrophobicContact CD2-CB 3.82Å; L52-V158 HydrophobicContact CD2-CG1 3.39Å; L52-V158 HydrophobicContact CD2-CG2 4.34Å; L52-V158 HydrophobicContact CG-CB 4.47Å; L52-V158 HydrophobicContact CG-CG1 4.42Å; I55-V158 HydrophobicContact CD1-CB 3.91Å; I55-V158 HydrophobicContact CD1-CG1 4.23Å; I55-V158 WeakPolarHBondContact CD1-OXT 3.31Å; L107-V158 HydrophobicContact CD1-CG1 3.65Å; V156-V158 HydrophobicContact CG1-CG1 3.63Å; V156-V158 HydrophobicContact CG1-CG2 4.37Å; V156-V158 PolarHBondContact O-N 2.99Å

Retrieved 158 of 158 residues in 296.3 ms (Link to these results)

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