A0A3Q0KRJ0_SCHMA Loading...

Rhomboid domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 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
1M59.1Low77.5Confident199 Ų19977 Ų7798%0.9843%0.427SS*.  0-45.80-62.1-51-87.800113.6F3 L4 G5M1-F3 PolarHBondContact O-N 3.23Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-G5 PolarHBondContact O-N 3.14Å
2A65.4Low78.7Confident38 Ų3878.4 Ų78.431%0.31443%0.432SS..Hα-helixtrans-55.4-47.3-176.800000114.2L4 G5 G6 A46A2-L4 PolarHBondContact O-N 3.44Å; A2-G5 PolarHBondContact O-N 3.34Å; A2-G6 PolarHBondContact O-N 3.16Å; A2-A46 WeakPolarHBondContact O-CB 3.34Å
3F71.5Confident79.6Confident109 Ų10975.2 Ų75.248%0.47842%0.421SS..Hα-helixtrans-54-54.1176.9175.7-94.6000112.8M1 G5 G6 Y7 T43 I47M1-F3 PolarHBondContact O-N 3.23Å; F3-G5 VanDerWaalsContact C-N 3.31Å; F3-G5 PolarHBondContact O-N 3Å; F3-G6 PolarHBondContact O-N 3.29Å; F3-Y7 WeakPolarHBondContact O-CB 3.3Å; F3-Y7 PolarHBondContact O-N 3.41Å; F3-T43 HydrophobicContact CD2-CG2 4.08Å; F3-T43 HydrophobicContact CE2-CG2 3.43Å; F3-T43 VanDerWaalsContact CE2-CG2 3.43Å; F3-T43 HydrophobicContact CZ-CG2 4.23Å; F3-I47 HydrophobicContact CD2-CD1 4.37Å; F3-I47 HydrophobicContact CD2-CG1 3.98Å; F3-I47 HydrophobicContact CE2-CD1 4.37Å; F3-I47 HydrophobicContact CE2-CG1 4.46Å
4L76.2Confident80.4Confident102 Ų10270.4 Ų70.453%0.53440%0.396SS..Hα-helixtrans-61.3-42.2179.9-173.864.9000110.8M1 A2 Y7 T8M1-L4 PolarHBondContact O-N 2.8Å; A2-L4 PolarHBondContact O-N 3.44Å; L4-Y7 PolarHBondContact O-N 3.5Å; L4-T8 WeakPolarHBondContact O-CB 3.38Å; L4-T8 PolarHBondContact O-N 3.32Å; L4-T8 PolarHBondContact O-OG1 3.04Å
5G78.2Confident81.2Confident36 Ų3671.9 Ų71.937%0.37141%0.407SS..Hα-helixtrans-60.3-48176.400000113M1 A2 F3 T8 V9M1-G5 PolarHBondContact O-N 3.14Å; A2-G5 PolarHBondContact O-N 3.34Å; F3-G5 VanDerWaalsContact C-N 3.31Å; F3-G5 PolarHBondContact O-N 3Å; G5-T8 PolarHBondContact O-N 3.42Å; G5-V9 VanDerWaalsContact O-CG2 3.3Å; G5-V9 WeakPolarHBondContact O-CG2 3.46Å; G5-V9 PolarHBondContact O-N 3.13Å
6G77.5Confident81.9Confident18 Ų1873.5 Ų73.519%0.18641%0.413CS..Hα-helixtrans-64.4-41.4177.600000112.9A2 F3 S10A2-G6 PolarHBondContact O-N 3.16Å; F3-G6 PolarHBondContact O-N 3.29Å; G6-S10 WeakPolarHBondContact O-CB 3.38Å; G6-S10 PolarHBondContact O-N 3.47Å; G6-S10 PolarHBondContact O-OG 3.48Å
7Y77.9Confident82.5Confident98 Ų9872.2 Ų72.238%0.38440%0.403SS..Hα-helixtrans-60.7-48.9174.7177.6-98.4000111.7F3 L4 V9 S10 L11 V39F3-Y7 WeakPolarHBondContact O-CB 3.3Å; F3-Y7 PolarHBondContact O-N 3.41Å; L4-Y7 PolarHBondContact O-N 3.5Å; Y7-V9 PolarHBondContact O-N 3.08Å; Y7-S10 PolarHBondContact O-N 2.92Å; Y7-L11 HydrophobicContact CE1-CD2 4.2Å; Y7-L11 WeakPolarHBondContact O-CB 3.44Å; Y7-L11 PolarHBondContact O-N 2.83Å; Y7-V39 HydrophobicContact CD2-CG1 4.26Å; Y7-V39 HydrophobicContact CE2-CG1 4.07Å
8T83.3Confident82.9Confident62 Ų6274.2 Ų74.238%0.3840%0.404SS..Hα-helixtrans-61.9-44.6179.7-59.90000111.8L4 G5 L11 I12L4-T8 WeakPolarHBondContact O-CB 3.38Å; L4-T8 PolarHBondContact O-N 3.32Å; L4-T8 PolarHBondContact O-OG1 3.04Å; G5-T8 PolarHBondContact O-N 3.42Å; T8-L11 PolarHBondContact O-N 2.94Å; T8-I12 HydrophobicContact CG2-CD1 3.94Å; T8-I12 VanDerWaalsContact O-CG1 3.29Å; T8-I12 WeakPolarHBondContact O-CG1 3.48Å; T8-I12 PolarHBondContact O-N 3.37Å
9V87.2Confident83.4Confident100 Ų10073.1 Ų73.161%0.60641%0.406SS*.Hα-helixtrans-63.2-44.2178.21720000111.2G5 Y7 L11 I12 A13G5-V9 VanDerWaalsContact O-CG2 3.3Å; G5-V9 WeakPolarHBondContact O-CG2 3.46Å; G5-V9 PolarHBondContact O-N 3.13Å; Y7-V9 PolarHBondContact O-N 3.08Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.02Å; V9-I12 PolarHBondContact O-N 3.03Å; V9-A13 WeakPolarHBondContact O-CB 3.34Å; V9-A13 PolarHBondContact O-N 2.82Å
10S86.8Confident83.9Confident11 Ų1174.7 Ų74.78%0.07741%0.409CS..Hα-helixtrans-65.9-35.3176.4-76.80000113.6G6 Y7 S14 Y38 G42G6-S10 WeakPolarHBondContact O-CB 3.38Å; G6-S10 PolarHBondContact O-N 3.47Å; G6-S10 PolarHBondContact O-OG 3.48Å; Y7-S10 PolarHBondContact O-N 2.92Å; S10-S14 WeakPolarHBondContact O-CB 3.48Å; S10-S14 PolarHBondContact O-N 3.34Å; S10-S14 PolarHBondContact O-OG 2.85Å; S10-Y38 WeakPolarHBondContact CB-O 3.49Å; S10-Y38 PolarHBondContact OG-O 3.15Å; S10-G42 VanDerWaalsContact OG-CA 3.29Å; S10-G42 WeakPolarHBondContact OG-CA 3.39Å
11L90Very high84.3Confident74 Ų7471.2 Ų71.239%0.38739%0.39SS..Hα-helixtrans-65.8-46.1175.6-175.665.8000110.5Y7 T8 V9 A13 S14 V15Y7-L11 HydrophobicContact CE1-CD2 4.2Å; Y7-L11 WeakPolarHBondContact O-CB 3.44Å; Y7-L11 PolarHBondContact O-N 2.83Å; T8-L11 PolarHBondContact O-N 2.94Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.02Å; L11-A13 PolarHBondContact O-N 3.1Å; L11-S14 WeakPolarHBondContact O-CB 3.17Å; L11-S14 PolarHBondContact O-N 3.37Å; L11-S14 VanDerWaalsContact O-N 3.15Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 2.95Å
12I91.6Very high85.8Confident94 Ų9468.4 Ų68.448%0.48237%0.374SS..Hα-helixtrans-59.1-47.3175.6-67.8165.7000110.5T8 V9 S14 V15 L16T8-I12 HydrophobicContact CG2-CD1 3.94Å; T8-I12 VanDerWaalsContact O-CG1 3.29Å; T8-I12 WeakPolarHBondContact O-CG1 3.48Å; T8-I12 PolarHBondContact O-N 3.37Å; V9-I12 PolarHBondContact O-N 3.03Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.13Å; I12-V15 PolarHBondContact O-N 2.8Å; I12-L16 HydrophobicContact CG2-CD1 4.06Å; I12-L16 HydrophobicContact CG2-CG 4.43Å; I12-L16 WeakPolarHBondContact O-CG 3.38Å; I12-L16 PolarHBondContact O-N 3.3Å
13A90.2Very high87.1Confident36 Ų3674.3 Ų74.330%0.29840%0.395SS..Hα-helixtrans-58.7-40.9176.500000111.9V9 L11 L16 E17V9-A13 WeakPolarHBondContact O-CB 3.34Å; V9-A13 PolarHBondContact O-N 2.82Å; L11-A13 PolarHBondContact O-N 3.1Å; A13-L16 PolarHBondContact O-N 3.28Å; A13-E17 WeakPolarHBondContact O-CB 3.38Å; A13-E17 VanDerWaalsContact O-CG 3.29Å; A13-E17 WeakPolarHBondContact O-CG 3.35Å; A13-E17 PolarHBondContact O-N 3.2Å
14S90.6Very high88.2Confident9 Ų975 Ų756%0.06340%0.403CS..Hα-helixtrans-64.6-42.3176.8-60.60000112.4S10 L11 I12 E17 Y18 C35S10-S14 WeakPolarHBondContact O-CB 3.48Å; S10-S14 PolarHBondContact O-N 3.34Å; S10-S14 PolarHBondContact O-OG 2.85Å; L11-S14 WeakPolarHBondContact O-CB 3.17Å; L11-S14 PolarHBondContact O-N 3.37Å; L11-S14 VanDerWaalsContact O-N 3.15Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.13Å; S14-E17 PolarHBondContact O-N 3.35Å; S14-Y18 WeakPolarHBondContact O-CB 3.37Å; S14-Y18 PolarHBondContact O-N 3.39Å; S14-C35 PolarHBondContact O-SG 3.02Å; S14-C35 PolarHBondContact OG-O 3.38Å
15V92.1Very high88.9Confident92 Ų9273.5 Ų73.556%0.55841%0.413SS*.Hα-helixtrans-63.4-45.5177.11700000110.7L11 I12 E17 Y18 A19L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 2.95Å; I12-V15 PolarHBondContact O-N 2.8Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 2.76Å; V15-Y18 PolarHBondContact O-N 3.44Å; V15-A19 WeakPolarHBondContact O-CB 3.33Å; V15-A19 PolarHBondContact O-N 3.07Å
16L93.5Very high89.5Confident98 Ų9876.5 Ų76.551%0.51342%0.42SS..Hα-helixtrans-62.3-41.4178.6-69.2173.9000112I12 A13 A19 K20I12-L16 HydrophobicContact CG2-CD1 4.06Å; I12-L16 HydrophobicContact CG2-CG 4.43Å; I12-L16 WeakPolarHBondContact O-CG 3.38Å; I12-L16 PolarHBondContact O-N 3.3Å; A13-L16 PolarHBondContact O-N 3.28Å; L16-A19 PolarHBondContact O-N 3.44Å; L16-K20 VanDerWaalsContact O-CG 3.31Å; L16-K20 WeakPolarHBondContact O-CG 3.45Å; L16-K20 PolarHBondContact O-N 3.47Å
17E91.1Very high90.2Very high52 Ų5279.1 Ų79.124%0.24344%0.435CS..Hα-helixtrans-72.4-36.1-179.9-71.3-73.4130.600112.1A13 S14 V15 K20 A21 T31 Y38A13-E17 WeakPolarHBondContact O-CB 3.38Å; A13-E17 VanDerWaalsContact O-CG 3.29Å; A13-E17 WeakPolarHBondContact O-CG 3.35Å; A13-E17 PolarHBondContact O-N 3.2Å; S14-E17 PolarHBondContact O-N 3.35Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 2.76Å; E17-K20 IonicContact OE1-NZ 3.94Å; E17-K20 PolarHBondContact OE1-NZ 2.95Å; E17-A21 WeakPolarHBondContact O-CB 3.37Å; E17-A21 PolarHBondContact O-N 2.9Å; E17-T31 WeakPolarHBondContact O-CG2 3.21Å; E17-Y38 HydrophobicContact CB-CE2 4.18Å; E17-Y38 HydrophobicContact CG-CE2 3.76Å
18Y90.1Very high90.7Very high107 Ų10777.6 Ų77.642%0.4243%0.433SS..Hα-helixtrans-65.4-43.2172.2-160.4-89.4000112.1S14 V15 A21 H22 L28 T31S14-Y18 WeakPolarHBondContact O-CB 3.37Å; S14-Y18 PolarHBondContact O-N 3.39Å; V15-Y18 PolarHBondContact O-N 3.44Å; Y18-A21 PolarHBondContact O-N 3.22Å; Y18-H22 PolarHBondContact O-N 3.19Å; Y18-L28 HydrophobicContact CE1-CD2 4.24Å; Y18-L28 HydrophobicContact CE2-CD2 4.27Å; Y18-T31 HydrophobicContact CD2-CG2 4.29Å
19A92.7Very high91.1Very high54 Ų5481.6 Ų81.645%0.44645%0.452SS..Hα-helixtrans-61.2-46176.500000111.9V15 L16 A21 H22 E23V15-A19 WeakPolarHBondContact O-CB 3.33Å; V15-A19 PolarHBondContact O-N 3.07Å; L16-A19 PolarHBondContact O-N 3.44Å; A19-A21 VanDerWaalsContact C-N 3.32Å; A19-A21 PolarHBondContact O-N 3.41Å; A19-H22 WeakPolarHBondContact O-CB 3.23Å; A19-H22 PolarHBondContact O-N 2.92Å; A19-E23 PolarHBondContact O-N 3.04Å
20K92.6Very high91.2Very high104 Ų10480.4 Ų80.445%0.45245%0.448SS..Hα-helixtrans-59.4-41.6174.3-74.6175.3-172.5171.70112.4L16 E17 H22 E23 L24L16-K20 VanDerWaalsContact O-CG 3.31Å; L16-K20 WeakPolarHBondContact O-CG 3.45Å; L16-K20 PolarHBondContact O-N 3.47Å; E17-K20 IonicContact OE1-NZ 3.94Å; E17-K20 PolarHBondContact OE1-NZ 2.95Å; K20-H22 VanDerWaalsContact C-N 3.29Å; K20-H22 PolarHBondContact O-N 2.98Å; K20-E23 PolarHBondContact O-N 3.26Å; K20-L24 WeakPolarHBondContact O-CB 3.35Å; K20-L24 WeakPolarHBondContact O-CG 3.33Å; K20-L24 PolarHBondContact O-N 3.47Å
21A92.3Very high91.5Very high2 Ų280.3 Ų80.32%0.01745%0.448CS..Hα-helixtrans-64.3-36.8179.100000112.3E17 Y18 A19 G25 L26 L28 T31E17-A21 WeakPolarHBondContact O-CB 3.37Å; E17-A21 PolarHBondContact O-N 2.9Å; Y18-A21 PolarHBondContact O-N 3.22Å; A19-A21 VanDerWaalsContact C-N 3.32Å; A19-A21 PolarHBondContact O-N 3.41Å; A21-G25 PolarHBondContact O-N 3.25Å; A21-L26 HydrophobicContact CB-CB 4.03Å; A21-L26 PolarHBondContact O-N 3.29Å; A21-L28 HydrophobicContact CB-CD2 4.32Å; A21-T31 HydrophobicContact CB-CG2 3.63Å; A21-T31 WeakPolarHBondContact CB-OG1 3.29Å
22H90.4Very high91.6Very high140 Ų14077.9 Ų77.965%0.64844%0.44SS*.Hα-helixtrans-64.8-44.9173.8-171.7-80.6000111.8Y18 A19 K20Y18-H22 PolarHBondContact O-N 3.19Å; A19-H22 WeakPolarHBondContact O-CB 3.23Å; A19-H22 PolarHBondContact O-N 2.92Å; K20-H22 VanDerWaalsContact C-N 3.29Å; K20-H22 PolarHBondContact O-N 2.98Å
23E93.6Very high91.6Very high163 Ų16377.9 Ų77.976%0.76244%0.44SS*.Hα-helixtrans-66.4-39.4179.7-171.6178-18000112.9A19 K20A19-E23 PolarHBondContact O-N 3.04Å; K20-E23 PolarHBondContact O-N 3.26Å
24L94.2Very high91.7Very high122 Ų12279.7 Ų79.764%0.63944%0.443SS*.THydrogen-bonded Turntrans-89.82.7-176.3-63.5174.9000113.9K20 L26K20-L24 WeakPolarHBondContact O-CB 3.35Å; K20-L24 WeakPolarHBondContact O-CG 3.33Å; K20-L24 PolarHBondContact O-N 3.47Å; L24-L26 HydrophobicContact CB-CD1 4.13Å; L24-L26 HydrophobicContact CB-CG 3.88Å; L24-L26 HydrophobicContact CD1-CD1 4.24Å; L24-L26 PolarHBondContact O-N 2.93Å
25G90.5Very high91.8Very high71 Ų7180 Ų8073%0.73245%0.445SS*.THydrogen-bonded Turntrans62.428.8-177.500000113.8A21A21-G25 PolarHBondContact O-N 3.25Å
26L91.1Very high91.8Very high99 Ų9980.6 Ų80.652%0.51844%0.444SS..  trans-78162.4178.5-61.4175000111.1A21 L24 L28A21-L26 HydrophobicContact CB-CB 4.03Å; A21-L26 PolarHBondContact O-N 3.29Å; L24-L26 HydrophobicContact CB-CD1 4.13Å; L24-L26 HydrophobicContact CB-CG 3.88Å; L24-L26 HydrophobicContact CD1-CD1 4.24Å; L24-L26 PolarHBondContact O-N 2.93Å; L26-L28 PolarHBondContact O-N 3.36Å
27S91.8Very high91.7Very high73 Ų7383.6 Ų83.651%0.5145%0.448SS..  trans-64.5108.5178.4177.10000112N29 S30 T31S27-N29 PolarHBondContact O-N 3.44Å; S27-S30 PolarHBondContact O-N 2.89Å; S27-S30 VanDerWaalsContact O-N 3.14Å; S27-T31 PolarHBondContact O-N 3.01Å; S27-T31 PolarHBondContact O-OG1 2.8Å; S27-T31 VanDerWaalsContact O-OG1 3.13Å
28L89.9Confident91.7Very high67 Ų6784.9 Ų84.935%0.35145%0.452SS..Hα-helixtrans-60.4-29.9178.6-61.6172.5000112.7Y18 A21 L26 T31 G32Y18-L28 HydrophobicContact CE1-CD2 4.24Å; Y18-L28 HydrophobicContact CE2-CD2 4.27Å; A21-L28 HydrophobicContact CB-CD2 4.32Å; L26-L28 PolarHBondContact O-N 3.36Å; L28-T31 PolarHBondContact O-N 2.67Å; L28-G32 PolarHBondContact O-N 2.94Å
29N90.4Very high91.8Very high145 Ų14581.6 Ų81.678%0.77544%0.442SS*.Hα-helixtrans-66.8-44.9176.1-71.5-15.8000111.7S27 G32 L33S27-N29 PolarHBondContact O-N 3.44Å; N29-G32 PolarHBondContact O-N 3.09Å; N29-L33 PolarHBondContact O-N 2.97Å; N29-L33 VanDerWaalsContact O-N 3.16Å
30S90.7Very high91.8Very high75 Ų7583.3 Ų83.352%0.52445%0.447SS..Hα-helixtrans-65.1-43.1176.6-175.80000110.9S27 L33 Q34S27-S30 PolarHBondContact O-N 2.89Å; S27-S30 VanDerWaalsContact O-N 3.14Å; S30-L33 PolarHBondContact O-N 3.02Å; S30-Q34 PolarHBondContact O-N 2.92Å; S30-Q34 VanDerWaalsContact O-N 3.1Å
31T92Very high91.7Very high10 Ų1080.9 Ų80.96%0.06144%0.441CS..Hα-helixtrans-63.6-43.1177.2-53.90000111.5E17 Y18 A21 S27 L28 L33 Q34 C35E17-T31 WeakPolarHBondContact O-CG2 3.21Å; Y18-T31 HydrophobicContact CD2-CG2 4.29Å; A21-T31 HydrophobicContact CB-CG2 3.63Å; A21-T31 WeakPolarHBondContact CB-OG1 3.29Å; S27-T31 PolarHBondContact O-N 3.01Å; S27-T31 PolarHBondContact O-OG1 2.8Å; S27-T31 VanDerWaalsContact O-OG1 3.13Å; L28-T31 PolarHBondContact O-N 2.67Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-L33 PolarHBondContact O-N 2.92Å; T31-Q34 CarbonylContact O-C 3.55Å; T31-Q34 WeakPolarHBondContact O-CA 3.35Å; T31-Q34 WeakPolarHBondContact O-CB 3.35Å; T31-Q34 PolarHBondContact O-N 3.48Å; T31-C35 PolarHBondContact O-N 2.84Å; T31-C35 PolarHBondContact O-SG 3.18Å
32G91.4Very high91.7Very high22 Ų2281.4 Ų81.423%0.22745%0.447CS..Hα-helixtrans-58-43.3176.600000112.6L28 N29 Q34 C35 I36L28-G32 PolarHBondContact O-N 2.94Å; N29-G32 PolarHBondContact O-N 3.09Å; G32-Q34 VanDerWaalsContact C-N 3.29Å; G32-Q34 PolarHBondContact O-N 2.7Å; G32-C35 WeakPolarHBondContact O-CB 3.45Å; G32-C35 PolarHBondContact O-N 3.23Å; G32-I36 WeakPolarHBondContact O-CG1 3.47Å; G32-I36 PolarHBondContact O-N 2.73Å
33L92.6Very high91.7Very high94 Ų9475.9 Ų75.949%0.49242%0.423SS..Hα-helixtrans-62.9-37.3174.4-175.263000112N29 S30 T31 I36 R37N29-L33 PolarHBondContact O-N 2.97Å; N29-L33 VanDerWaalsContact O-N 3.16Å; S30-L33 PolarHBondContact O-N 3.02Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-L33 PolarHBondContact O-N 2.92Å; L33-I36 PolarHBondContact O-N 3.2Å; L33-R37 WeakPolarHBondContact O-CG 3.47Å; L33-R37 PolarHBondContact O-N 3.35Å; L33-R37 VanDerWaalsContact O-N 3.08Å
34Q92Very high91.7Very high74 Ų7470.1 Ų70.135%0.34640%0.403SS..Hα-helixtrans-67.8-41.4175.7-172.6173.1-0.700112.2S30 T31 G32 I36 R37 Y38S30-Q34 PolarHBondContact O-N 2.92Å; S30-Q34 VanDerWaalsContact O-N 3.1Å; T31-Q34 CarbonylContact O-C 3.55Å; T31-Q34 WeakPolarHBondContact O-CA 3.35Å; T31-Q34 WeakPolarHBondContact O-CB 3.35Å; T31-Q34 PolarHBondContact O-N 3.48Å; G32-Q34 VanDerWaalsContact C-N 3.29Å; G32-Q34 PolarHBondContact O-N 2.7Å; Q34-I36 PolarHBondContact O-N 3.09Å; Q34-R37 WeakPolarHBondContact O-CB 3.32Å; Q34-R37 PolarHBondContact O-N 2.88Å; Q34-R37 VanDerWaalsContact O-N 3.13Å; Q34-Y38 HydrophobicContact CG-CD2 4.44Å; Q34-Y38 HydrophobicContact CG-CE1 4.39Å; Q34-Y38 HydrophobicContact CG-CE2 3.77Å; Q34-Y38 PolarHBondContact NE2-OH 3.41Å; Q34-Y38 PolarHBondContact O-N 2.87Å
35C92.4Very high91.6Very high16 Ų1664.6 Ų64.611%0.10838%0.375CS..Hα-helixtrans-57.9-46.5172.6-64.90000111.3S14 T31 G32 R37 Y38 V39S14-C35 PolarHBondContact O-SG 3.02Å; S14-C35 PolarHBondContact OG-O 3.38Å; T31-C35 PolarHBondContact O-N 2.84Å; T31-C35 PolarHBondContact O-SG 3.18Å; G32-C35 WeakPolarHBondContact O-CB 3.45Å; G32-C35 PolarHBondContact O-N 3.23Å; C35-R37 VanDerWaalsContact C-N 3.27Å; C35-R37 PolarHBondContact O-N 3.31Å; C35-Y38 PolarHBondContact O-N 3.01Å; C35-Y38 VanDerWaalsContact O-N 3.09Å; C35-V39 PolarHBondContact O-N 3.3Å
36I92.5Very high91.7Very high104 Ų10461.7 Ų61.753%0.53334%0.344SS..Hα-helixtrans-57.4-44.1175.1-67.3166.2000110.3G32 L33 Q34 Y38 V39 V40G32-I36 WeakPolarHBondContact O-CG1 3.47Å; G32-I36 PolarHBondContact O-N 2.73Å; L33-I36 PolarHBondContact O-N 3.2Å; Q34-I36 PolarHBondContact O-N 3.09Å; I36-Y38 VanDerWaalsContact C-N 3.34Å; I36-Y38 PolarHBondContact O-N 3.13Å; I36-V39 PolarHBondContact O-N 3.26Å; I36-V40 HydrophobicContact CG2-CG2 4.21Å; I36-V40 WeakPolarHBondContact O-CB 3.46Å; I36-V40 VanDerWaalsContact O-CG2 3.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.45Å; I36-V40 PolarHBondContact O-N 2.83Å
37R92.2Very high91.7Very high161 Ų16160.9 Ų60.961%0.60834%0.339SS*.Hα-helixtrans-61-40.2176.5-72.1173.8178.6-177.60.7112.3L33 Q34 C35 T41L33-R37 WeakPolarHBondContact O-CG 3.47Å; L33-R37 PolarHBondContact O-N 3.35Å; L33-R37 VanDerWaalsContact O-N 3.08Å; Q34-R37 WeakPolarHBondContact O-CB 3.32Å; Q34-R37 PolarHBondContact O-N 2.88Å; Q34-R37 VanDerWaalsContact O-N 3.13Å; C35-R37 VanDerWaalsContact C-N 3.27Å; C35-R37 PolarHBondContact O-N 3.31Å; R37-T41 WeakPolarHBondContact O-CB 3.35Å; R37-T41 PolarHBondContact O-N 2.92Å; R37-T41 PolarHBondContact O-OG1 3.49Å
38Y90.4Very high91.8Very high80 Ų8058.7 Ų58.731%0.31432%0.324SS..Hα-helixtrans-64-45.1176.4-67-35.8000112.6S10 E17 Q34 C35 I36 G42S10-Y38 WeakPolarHBondContact CB-O 3.49Å; S10-Y38 PolarHBondContact OG-O 3.15Å; E17-Y38 HydrophobicContact CB-CE2 4.18Å; E17-Y38 HydrophobicContact CG-CE2 3.76Å; Q34-Y38 HydrophobicContact CG-CD2 4.44Å; Q34-Y38 HydrophobicContact CG-CE1 4.39Å; Q34-Y38 HydrophobicContact CG-CE2 3.77Å; Q34-Y38 PolarHBondContact NE2-OH 3.41Å; Q34-Y38 PolarHBondContact O-N 2.87Å; C35-Y38 PolarHBondContact O-N 3.01Å; C35-Y38 VanDerWaalsContact O-N 3.09Å; I36-Y38 VanDerWaalsContact C-N 3.34Å; I36-Y38 PolarHBondContact O-N 3.13Å; Y38-G42 PolarHBondContact O-N 3.26Å
39V91.8Very high92Very high37 Ų3756.9 Ų56.922%0.22431%0.314CS..Hα-helixtrans-62.2-49177.4177.10000110.7Y7 C35 I36 T43Y7-V39 HydrophobicContact CD2-CG1 4.26Å; Y7-V39 HydrophobicContact CE2-CG1 4.07Å; C35-V39 PolarHBondContact O-N 3.3Å; I36-V39 PolarHBondContact O-N 3.26Å; V39-T43 VanDerWaalsContact O-CB 3.23Å; V39-T43 WeakPolarHBondContact O-CB 3.47Å; V39-T43 PolarHBondContact O-N 3.48Å; V39-T43 PolarHBondContact O-OG1 3.2Å
40V92.3Very high92Very high91 Ų9152.3 Ų52.355%0.55229%0.293SS*.Hα-helixtrans-62-48.3179.4172.70000111.2I36 T43 A44I36-V40 HydrophobicContact CG2-CG2 4.21Å; I36-V40 WeakPolarHBondContact O-CB 3.46Å; I36-V40 VanDerWaalsContact O-CG2 3.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.45Å; I36-V40 PolarHBondContact O-N 2.83Å; V40-T43 PolarHBondContact O-N 2.88Å; V40-A44 WeakPolarHBondContact O-CB 3.15Å; V40-A44 PolarHBondContact O-N 2.88Å
41T92.1Very high92.1Very high52 Ų5251.1 Ų51.132%0.31929%0.285SS..Hα-helixtrans-65.4-46.2-176.9-54.70000111.6R37 A44 A45R37-T41 WeakPolarHBondContact O-CB 3.35Å; R37-T41 PolarHBondContact O-N 2.92Å; R37-T41 PolarHBondContact O-OG1 3.49Å; T41-A44 PolarHBondContact O-N 3.35Å; T41-A45 WeakPolarHBondContact O-CB 3.4Å; T41-A45 PolarHBondContact O-N 2.95Å
42G90.8Very high92.2Very high13 Ų1352.8 Ų52.813%0.13430%0.295CS..Hα-helixtrans-70.9-32.5179.900000113.2S10 Y38 A45 A46S10-G42 VanDerWaalsContact OG-CA 3.29Å; S10-G42 WeakPolarHBondContact OG-CA 3.39Å; Y38-G42 PolarHBondContact O-N 3.26Å; G42-A45 PolarHBondContact O-N 2.87Å; G42-A46 WeakPolarHBondContact O-CB 3.36Å; G42-A46 PolarHBondContact O-N 3.3Å
43T91.1Very high92.2Very high25 Ų2552.3 Ų52.315%0.15329%0.288CS..Hα-helixtrans-64-46.9171.6-56.40000110.7F3 V39 V40 A45 A46 I47F3-T43 HydrophobicContact CD2-CG2 4.08Å; F3-T43 HydrophobicContact CE2-CG2 3.43Å; F3-T43 VanDerWaalsContact CE2-CG2 3.43Å; F3-T43 HydrophobicContact CZ-CG2 4.23Å; V39-T43 VanDerWaalsContact O-CB 3.23Å; V39-T43 WeakPolarHBondContact O-CB 3.47Å; V39-T43 PolarHBondContact O-N 3.48Å; V39-T43 PolarHBondContact O-OG1 3.2Å; V40-T43 PolarHBondContact O-N 2.88Å; T43-A45 VanDerWaalsContact C-N 3.35Å; T43-A45 PolarHBondContact O-N 3.4Å; T43-A46 PolarHBondContact O-N 3.48Å; T43-I47 HydrophobicContact CG2-CD1 4.11Å; T43-I47 WeakPolarHBondContact O-CG1 3.35Å; T43-I47 PolarHBondContact O-N 3.35Å
44A92.7Very high92.1Very high42 Ų4254 Ų5435%0.34729%0.292SS..Hα-helixtrans-61.3-42.9176.600000111.9V40 T41 A46 I47 C48 I79V40-A44 WeakPolarHBondContact O-CB 3.15Å; V40-A44 PolarHBondContact O-N 2.88Å; T41-A44 PolarHBondContact O-N 3.35Å; A44-A46 PolarHBondContact O-N 2.96Å; A44-I47 PolarHBondContact O-N 3.45Å; A44-C48 WeakPolarHBondContact O-CB 3.4Å; A44-C48 PolarHBondContact O-N 3.38Å; A44-I79 HydrophobicContact CB-CG2 4.01Å
45A93.1Very high92.2Very high6 Ų655.8 Ų55.85%0.0530%0.302CS..Hα-helixtrans-60.7-43.7175.700000111.5T41 G42 T43 C48 H49 S76 I79T41-A45 WeakPolarHBondContact O-CB 3.4Å; T41-A45 PolarHBondContact O-N 2.95Å; G42-A45 PolarHBondContact O-N 2.87Å; T43-A45 VanDerWaalsContact C-N 3.35Å; T43-A45 PolarHBondContact O-N 3.4Å; A45-C48 WeakPolarHBondContact O-CB 3.43Å; A45-C48 PolarHBondContact O-N 3.26Å; A45-H49 WeakPolarHBondContact O-CB 3.41Å; A45-H49 PolarHBondContact O-N 3.4Å; A45-S76 PolarHBondContact O-OG 3.15Å; A45-I79 HydrophobicContact CB-CB 4.4Å; A45-I79 HydrophobicContact CB-CG2 4.23Å
46A91.3Very high92.2Very high9 Ų955.7 Ų55.77%0.07430%0.302CS..Hα-helixtrans-67.4-38178.500000113.9A2 G42 T43 A44 H49 S50A2-A46 WeakPolarHBondContact O-CB 3.34Å; G42-A46 WeakPolarHBondContact O-CB 3.36Å; G42-A46 PolarHBondContact O-N 3.3Å; T43-A46 PolarHBondContact O-N 3.48Å; A44-A46 PolarHBondContact O-N 2.96Å; A46-H49 WeakPolarHBondContact O-CB 3.36Å; A46-H49 PolarHBondContact O-N 3.46Å; A46-S50 PolarHBondContact O-N 3.46Å; A46-S50 VanDerWaalsContact O-N 3.09Å; A46-S50 PolarHBondContact O-OG 3.33Å
47I92Very high92.2Very high82 Ų8251.7 Ų51.742%0.42128%0.284SS..Hα-helixtrans-63.2-46.5172.5-67.8168.7000109.6F3 T43 A44 H49 S50 S51F3-I47 HydrophobicContact CD2-CD1 4.37Å; F3-I47 HydrophobicContact CD2-CG1 3.98Å; F3-I47 HydrophobicContact CE2-CD1 4.37Å; F3-I47 HydrophobicContact CE2-CG1 4.46Å; T43-I47 HydrophobicContact CG2-CD1 4.11Å; T43-I47 WeakPolarHBondContact O-CG1 3.35Å; T43-I47 PolarHBondContact O-N 3.35Å; A44-I47 PolarHBondContact O-N 3.45Å; I47-H49 PolarHBondContact O-N 2.86Å; I47-S50 PolarHBondContact O-N 3Å; I47-S50 PolarHBondContact O-OG 2.93Å; I47-S51 WeakPolarHBondContact O-CB 3.31Å; I47-S51 PolarHBondContact O-N 2.79Å; I47-S51 PolarHBondContact O-OG 3.33Å
48C93.6Very high92.2Very high28 Ų2851.5 Ų51.519%0.18929%0.288CS..Hα-helixtrans-59.5-45.9177.1-169.30000111.4A44 A45 S50 S51 V52 I79A44-C48 WeakPolarHBondContact O-CB 3.4Å; A44-C48 PolarHBondContact O-N 3.38Å; A45-C48 WeakPolarHBondContact O-CB 3.43Å; A45-C48 PolarHBondContact O-N 3.26Å; C48-S50 PolarHBondContact O-N 2.89Å; C48-S51 PolarHBondContact O-N 3.32Å; C48-V52 WeakPolarHBondContact O-CB 3.38Å; C48-V52 WeakPolarHBondContact O-CG2 3.29Å; C48-V52 PolarHBondContact O-N 3.46Å; C48-I79 HydrophobicContact CB-CG1 3.86Å
49H93.7Very high92.4Very high29 Ų2951.8 Ų51.813%0.13431%0.307CS..Hα-helixtrans-49.7-57.2174.5-170-81.5000111.7A45 A46 I47 S51 S53 H69 G72 G73 S76 S100A45-H49 WeakPolarHBondContact O-CB 3.41Å; A45-H49 PolarHBondContact O-N 3.4Å; A46-H49 WeakPolarHBondContact O-CB 3.36Å; A46-H49 PolarHBondContact O-N 3.46Å; I47-H49 PolarHBondContact O-N 2.86Å; H49-S51 PolarHBondContact O-N 2.94Å; H49-S53 PolarHBondContact CE1-OG 3.3Å; H49-S53 VanDerWaalsContact O-CB 3.29Å; H49-S53 WeakPolarHBondContact O-CB 3.23Å; H49-S53 PolarHBondContact O-N 3.09Å; H49-S53 PolarHBondContact O-OG 3.44Å; H49-H69 AromaticContact CE1-ND1 3.95Å; H49-H69 PolarHBondContact NE2-O 2.93Å; H49-G72 PolarHBondContact CD2-O 3.45Å; H49-G73 PolarHBondContact CD2-N 2.94Å; H49-G73 VanDerWaalsContact CD2-N 3.3Å; H49-G73 PolarHBondContact NE2-N 2.96Å; H49-S76 WeakPolarHBondContact CA-OG 3.44Å; H49-S76 WeakPolarHBondContact CB-OG 3.48Å; H49-S76 PolarHBondContact CD2-OG 3.36Å; H49-S76 PolarHBondContact N-OG 3.47Å; H49-S100 PolarHBondContact CE1-OG 3.01Å; H49-S100 PolarHBondContact NE2-OG 3.04Å
50S90.6Very high92.3Very high48 Ų4853.5 Ų53.534%0.33632%0.317SS..Hα-helixtrans-64.8-40.7-175.564.10000112.1A46 I47 C48 F54A46-S50 PolarHBondContact O-N 3.46Å; A46-S50 VanDerWaalsContact O-N 3.09Å; A46-S50 PolarHBondContact O-OG 3.33Å; I47-S50 PolarHBondContact O-N 3Å; I47-S50 PolarHBondContact O-OG 2.93Å; C48-S50 PolarHBondContact O-N 2.89Å; S50-F54 VanDerWaalsContact O-CB 3.24Å; S50-F54 WeakPolarHBondContact O-CB 3.37Å; S50-F54 PolarHBondContact O-N 2.85Å
51S93.2Very high92.2Very high51 Ų5152.5 Ų52.536%0.35733%0.325SS..Hα-helixtrans-65.8-49.4-179.6-56.80000111.2I47 C48 H49 F54 I55I47-S51 WeakPolarHBondContact O-CB 3.31Å; I47-S51 PolarHBondContact O-N 2.79Å; I47-S51 PolarHBondContact O-OG 3.33Å; C48-S51 PolarHBondContact O-N 3.32Å; H49-S51 PolarHBondContact O-N 2.94Å; S51-F54 PolarHBondContact O-N 3.48Å; S51-I55 WeakPolarHBondContact O-CB 3.49Å; S51-I55 WeakPolarHBondContact O-CD1 3.46Å; S51-I55 VanDerWaalsContact O-CG1 3.23Å; S51-I55 WeakPolarHBondContact O-CG1 3.41Å; S51-I55 PolarHBondContact O-N 3.4Å
52V93.9Very high91.9Very high45 Ų4558.4 Ų58.427%0.27334%0.342SS..Hα-helixtrans-67.1-41.9-179.9172.20000111.1C48 F54 I55 S56 L71 A75C48-V52 WeakPolarHBondContact O-CB 3.38Å; C48-V52 WeakPolarHBondContact O-CG2 3.29Å; C48-V52 PolarHBondContact O-N 3.46Å; V52-F54 VanDerWaalsContact C-N 3.31Å; V52-F54 PolarHBondContact O-N 2.71Å; V52-I55 PolarHBondContact O-N 3.27Å; V52-S56 VanDerWaalsContact O-CB 3.24Å; V52-S56 WeakPolarHBondContact O-CB 3.35Å; V52-S56 PolarHBondContact O-N 3.46Å; V52-L71 HydrophobicContact CG1-CB 4.05Å; V52-A75 HydrophobicContact CB-CB 4.17Å; V52-A75 HydrophobicContact CG1-CB 4.22Å; V52-A75 HydrophobicContact CG2-CB 3.72Å
53S91Very high91.5Very high12 Ų1261.8 Ų61.88%0.08436%0.363CS..Hα-helixtrans-59.6-43.9175.5-57.10000111.2H49 A57 N68H49-S53 PolarHBondContact CE1-OG 3.3Å; H49-S53 VanDerWaalsContact O-CB 3.29Å; H49-S53 WeakPolarHBondContact O-CB 3.23Å; H49-S53 PolarHBondContact O-N 3.09Å; H49-S53 PolarHBondContact O-OG 3.44Å; S53-A57 WeakPolarHBondContact O-CB 3.44Å; S53-A57 PolarHBondContact O-N 2.8Å; S53-N68 PolarHBondContact OG-O 3.03Å
54F91.1Very high90.8Very high130 Ų13065.7 Ų65.757%0.5738%0.383SS*.Hα-helixtrans-66.8-46.6178.8178.4-99.6000112.8S50 S51 V52 S56 A57 K58S50-F54 VanDerWaalsContact O-CB 3.24Å; S50-F54 WeakPolarHBondContact O-CB 3.37Å; S50-F54 PolarHBondContact O-N 2.85Å; S51-F54 PolarHBondContact O-N 3.48Å; V52-F54 VanDerWaalsContact C-N 3.31Å; V52-F54 PolarHBondContact O-N 2.71Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 3Å; F54-A57 PolarHBondContact O-N 3.16Å; F54-K58 HydrophobicContact CD1-CG 4.44Å; F54-K58 HydrophobicContact CE1-CG 4.07Å; F54-K58 HydrophobicContact CZ-CD 4.4Å; F54-K58 VanDerWaalsContact CZ-CE 3.42Å; F54-K58 HydrophobicContact CZ-CG 4.14Å; F54-K58 WeakPolarHBondContact O-CG 3.37Å; F54-K58 PolarHBondContact O-N 3.39Å
55I93.5Very high90.5Very high110 Ų11064.3 Ų64.356%0.56437%0.371SS*.Hα-helixtrans-61.9-43.3177.7-68.7164.9000110.1S51 V52 K58 A59S51-I55 WeakPolarHBondContact O-CB 3.49Å; S51-I55 WeakPolarHBondContact O-CD1 3.46Å; S51-I55 VanDerWaalsContact O-CG1 3.23Å; S51-I55 WeakPolarHBondContact O-CG1 3.41Å; S51-I55 PolarHBondContact O-N 3.4Å; V52-I55 PolarHBondContact O-N 3.27Å; I55-K58 WeakPolarHBondContact O-CB 3.37Å; I55-K58 PolarHBondContact O-N 2.7Å; I55-A59 WeakPolarHBondContact O-CB 3.26Å; I55-A59 PolarHBondContact O-N 3.2Å
56S92.9Very high90.3Very high14 Ų1470.6 Ų70.610%0.09839%0.394CS..Hα-helixtrans-63.5-42176.8-1730000112.2V52 F54 K58 A59 T60 N68 L71V52-S56 VanDerWaalsContact O-CB 3.24Å; V52-S56 WeakPolarHBondContact O-CB 3.35Å; V52-S56 PolarHBondContact O-N 3.46Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 3Å; S56-K58 VanDerWaalsContact C-N 3.33Å; S56-K58 PolarHBondContact O-N 2.93Å; S56-A59 PolarHBondContact O-N 3.39Å; S56-T60 WeakPolarHBondContact O-CB 3.43Å; S56-T60 WeakPolarHBondContact O-CG2 3.5Å; S56-T60 PolarHBondContact O-N 3.36Å; S56-T60 PolarHBondContact O-OG1 3.4Å; S56-N68 WeakPolarHBondContact CB-OD1 3.46Å; S56-N68 PolarHBondContact O-OD1 3Å; S56-N68 PolarHBondContact OG-OD1 3.4Å; S56-L71 VanDerWaalsContact OG-CD1 3.26Å; S56-L71 WeakPolarHBondContact OG-CD1 3.47Å
57A92Very high90.4Very high20 Ų2073.1 Ų73.117%0.16541%0.408CS..Hα-helixtrans-60.7-42.8174.900000112.2S53 F54 G61 R62 N68S53-A57 WeakPolarHBondContact O-CB 3.44Å; S53-A57 PolarHBondContact O-N 2.8Å; F54-A57 PolarHBondContact O-N 3.16Å; A57-G61 PolarHBondContact O-N 3.02Å; A57-R62 PolarHBondContact O-N 3.06Å; A57-N68 WeakPolarHBondContact CA-ND2 3.4Å
58K93.6Very high90.4Very high158 Ų15869.3 Ų69.369%0.68739%0.389SS*.Hα-helixtrans-62.6-44.7174-78.1-98.7-173.81720112.1F54 I55 S56F54-K58 HydrophobicContact CD1-CG 4.44Å; F54-K58 HydrophobicContact CE1-CG 4.07Å; F54-K58 HydrophobicContact CZ-CD 4.4Å; F54-K58 VanDerWaalsContact CZ-CE 3.42Å; F54-K58 HydrophobicContact CZ-CG 4.14Å; F54-K58 WeakPolarHBondContact O-CG 3.37Å; F54-K58 PolarHBondContact O-N 3.39Å; I55-K58 WeakPolarHBondContact O-CB 3.37Å; I55-K58 PolarHBondContact O-N 2.7Å; S56-K58 VanDerWaalsContact C-N 3.33Å; S56-K58 PolarHBondContact O-N 2.93Å
59A93.2Very high90.3Very high86 Ų8670.5 Ų70.571%0.71139%0.391SS*.Hα-helixtrans-69.8-35.6-177.200000113I55 S56I55-A59 WeakPolarHBondContact O-CB 3.26Å; I55-A59 PolarHBondContact O-N 3.2Å; S56-A59 PolarHBondContact O-N 3.39Å
60T90.7Very high90.3Very high73 Ų7370 Ų7045%0.44839%0.392SS..Hα-helixtrans-90.1-14-178.258.20000113.6S56 R62S56-T60 WeakPolarHBondContact O-CB 3.43Å; S56-T60 WeakPolarHBondContact O-CG2 3.5Å; S56-T60 PolarHBondContact O-N 3.36Å; S56-T60 PolarHBondContact O-OG1 3.4Å; T60-R62 PolarHBondContact O-N 3.38Å; T60-R62 PolarHBondContact OG1-N 2.86Å
61G89.3Confident90.5Very high70 Ų7071.9 Ų71.972%0.72240%0.398SS*.THydrogen-bonded Turntrans6710.1-17100000113.9A57A57-G61 PolarHBondContact O-N 3.02Å
62R86.1Confident90.5Very high176 Ų17669.4 Ų69.466%0.66438%0.381SS*.  trans-111.896.3-178.7-64.4-178.3179.1-174.2-1.4109A57 T60 N68A57-R62 PolarHBondContact O-N 3.06Å; T60-R62 PolarHBondContact O-N 3.38Å; T60-R62 PolarHBondContact OG1-N 2.86Å; R62-N68 PolarHBondContact O-ND2 3.39Å
63S82.2Confident90.5Very high83 Ų8367.4 Ų67.458%0.5837%0.369SS*.SBendtrans-64.7-40.3-179.851.60000113S65S63-S65 PolarHBondContact O-N 3.37Å
64D77.7Confident90.8Very high108 Ų10868.2 Ų68.258%0.57838%0.377SS*.SBendtrans-107.165.9-173.8-67-63.1000111K104D64-K104 IonicContact OD1-NZ 2.94Å; D64-K104 PolarHBondContact OD1-NZ 3.49Å
65S85.2Confident91Very high13 Ų1363 Ų639%0.09136%0.357CS..  trans-121.5125.9174.2-172.70000110.8S63 V67 N68S63-S65 PolarHBondContact O-N 3.37Å; S65-V67 PolarHBondContact O-N 2.71Å; S65-V67 VanDerWaalsContact O-N 3.14Å; S65-V67 WeakPolarHBondContact OG-CB 3.5Å; S65-V67 PolarHBondContact OG-N 3.01Å; S65-N68 PolarHBondContact O-N 3.43Å; S65-N68 VanDerWaalsContact O-N 3.1Å
66W89.9Confident91.1Very high138 Ų13858 Ų5852%0.52333%0.332SS..Hα-helixtrans-54.8-25167.459.2-98.6000112.6H69 A70 A101 K104W66-H69 PolarHBondContact O-N 3.08Å; W66-A70 WeakPolarHBondContact O-CB 3.26Å; W66-A70 PolarHBondContact O-N 3.33Å; W66-A101 HydrophobicContact CE3-CB 4.26Å; W66-K104 HydrophobicContact CB-CB 4.34Å; W66-K104 HydrophobicContact CB-CG 4.26Å
67V92.1Very high91.2Very high61 Ų6157.4 Ų57.437%0.3733%0.328SS..Hα-helixtrans-64.4-42.4176-179.50000111.5S65 H69 A70 L71S65-V67 PolarHBondContact O-N 2.71Å; S65-V67 VanDerWaalsContact O-N 3.14Å; S65-V67 WeakPolarHBondContact OG-CB 3.5Å; S65-V67 PolarHBondContact OG-N 3.01Å; V67-H69 VanDerWaalsContact C-N 3.28Å; V67-H69 PolarHBondContact O-N 3.02Å; V67-A70 WeakPolarHBondContact O-CB 3.39Å; V67-A70 PolarHBondContact O-N 3.36Å; V67-L71 WeakPolarHBondContact O-CG 3.3Å; V67-L71 PolarHBondContact O-N 3Å
68N91.9Very high91.4Very high3 Ų360.6 Ų60.62%0.01634%0.342CS..Hα-helixtrans-62.8-40.2177.3-61.5-33.8000111.1S53 S56 A57 R62 S65 L71 G72S53-N68 PolarHBondContact OG-O 3.03Å; S56-N68 WeakPolarHBondContact CB-OD1 3.46Å; S56-N68 PolarHBondContact O-OD1 3Å; S56-N68 PolarHBondContact OG-OD1 3.4Å; A57-N68 WeakPolarHBondContact CA-ND2 3.4Å; R62-N68 PolarHBondContact O-ND2 3.39Å; S65-N68 PolarHBondContact O-N 3.43Å; S65-N68 VanDerWaalsContact O-N 3.1Å; N68-L71 PolarHBondContact O-N 3.11Å; N68-G72 PolarHBondContact O-N 3.4Å
69H92.1Very high91.4Very high53 Ų5356 Ų5625%0.24532%0.324CS..Hα-helixtrans-66.6-39.2175.2-81.3-104.5000111.7H49 W66 V67 L71 G72 G73 S100 K104H49-H69 AromaticContact CE1-ND1 3.95Å; H49-H69 PolarHBondContact NE2-O 2.93Å; W66-H69 PolarHBondContact O-N 3.08Å; V67-H69 VanDerWaalsContact C-N 3.28Å; V67-H69 PolarHBondContact O-N 3.02Å; H69-L71 VanDerWaalsContact C-N 3.32Å; H69-L71 PolarHBondContact O-N 3.31Å; H69-G72 PolarHBondContact O-N 2.94Å; H69-G73 PolarHBondContact O-N 2.87Å; H69-S100 VanDerWaalsContact O-CB 3.31Å; H69-S100 WeakPolarHBondContact O-CB 3.29Å; H69-S100 PolarHBondContact O-OG 3.48Å; H69-K104 HydrophobicContact CB-CB 3.96Å; H69-K104 HydrophobicContact CB-CG 4.45Å
70A94Very high91.4Very high19 Ų1953.9 Ų53.916%0.15730%0.304CS..Hα-helixtrans-59.6-43.7174.300000111.4W66 V67 G73 A74 A97 A101W66-A70 WeakPolarHBondContact O-CB 3.26Å; W66-A70 PolarHBondContact O-N 3.33Å; V67-A70 WeakPolarHBondContact O-CB 3.39Å; V67-A70 PolarHBondContact O-N 3.36Å; A70-G73 PolarHBondContact O-N 2.99Å; A70-A74 PolarHBondContact O-N 3.29Å; A70-A97 HydrophobicContact CB-CB 4.37Å; A70-A97 WeakPolarHBondContact O-CA 3.38Å; A70-A97 WeakPolarHBondContact O-CB 3.49Å; A70-A101 HydrophobicContact CB-CB 4.16Å
71L94.8Very high91.6Very high86 Ų8651 Ų5145%0.4529%0.286SS..Hα-helixtrans-63.5-43.8175-69.7171.7000112V52 S56 V67 N68 H69 G73 A74 A75V52-L71 HydrophobicContact CG1-CB 4.05Å; S56-L71 VanDerWaalsContact OG-CD1 3.26Å; S56-L71 WeakPolarHBondContact OG-CD1 3.47Å; V67-L71 WeakPolarHBondContact O-CG 3.3Å; V67-L71 PolarHBondContact O-N 3Å; N68-L71 PolarHBondContact O-N 3.11Å; H69-L71 VanDerWaalsContact C-N 3.32Å; H69-L71 PolarHBondContact O-N 3.31Å; L71-G73 VanDerWaalsContact C-N 3.31Å; L71-G73 PolarHBondContact O-N 3.44Å; L71-A74 PolarHBondContact O-N 3.25Å; L71-A75 WeakPolarHBondContact O-CB 3.24Å; L71-A75 PolarHBondContact O-N 3.42Å
72G93.9Very high91.8Very high0 Ų056.2 Ų56.20%028%0.284CS..Hα-helixtrans-58.9-41.617200000112.8H49 N68 H69 A75 S76H49-G72 PolarHBondContact CD2-O 3.45Å; N68-G72 PolarHBondContact O-N 3.4Å; H69-G72 PolarHBondContact O-N 2.94Å; G72-A75 PolarHBondContact O-N 2.96Å; G72-S76 WeakPolarHBondContact O-CB 3.46Å; G72-S76 PolarHBondContact O-N 3.37Å; G72-S76 PolarHBondContact O-OG 3.4Å
73G94.4Very high92.1Very high2 Ų252.7 Ų52.72%0.02128%0.278CS..Hα-helixtrans-60.5-50.8175.100000111.9H49 H69 A70 L71 A75 S76 G77 F96H49-G73 PolarHBondContact CD2-N 2.94Å; H49-G73 VanDerWaalsContact CD2-N 3.3Å; H49-G73 PolarHBondContact NE2-N 2.96Å; H69-G73 PolarHBondContact O-N 2.87Å; A70-G73 PolarHBondContact O-N 2.99Å; L71-G73 VanDerWaalsContact C-N 3.31Å; L71-G73 PolarHBondContact O-N 3.44Å; G73-A75 VanDerWaalsContact C-N 3.34Å; G73-A75 PolarHBondContact O-N 2.95Å; G73-S76 WeakPolarHBondContact O-CB 3.29Å; G73-S76 PolarHBondContact O-N 3.42Å; G73-S76 VanDerWaalsContact O-N 3.16Å; G73-G77 PolarHBondContact O-N 3.47Å; G73-F96 WeakPolarHBondContact O-CB 3.46Å
74A96.5Very high92.7Very high30 Ų3055.7 Ų55.725%0.24828%0.277CS..Hα-helixtrans-56.6-47.417700000112A70 L71 S76 G77 L78 C93 A97A70-A74 PolarHBondContact O-N 3.29Å; L71-A74 PolarHBondContact O-N 3.25Å; A74-S76 VanDerWaalsContact C-N 3.31Å; A74-S76 PolarHBondContact O-N 2.94Å; A74-G77 PolarHBondContact O-N 3.47Å; A74-L78 PolarHBondContact O-N 3.47Å; A74-C93 HydrophobicContact CB-CB 4.43Å; A74-C93 PolarHBondContact O-SG 2.96Å; A74-C93 VanDerWaalsContact O-SG 3.36Å; A74-A97 HydrophobicContact CB-CB 4.19Å
75A96.1Very high93.6Very high20 Ų2053.7 Ų53.717%0.16527%0.271CS..Hα-helixtrans-61.7-39178.200000112.4V52 L71 G72 G73 L78 I79V52-A75 HydrophobicContact CB-CB 4.17Å; V52-A75 HydrophobicContact CG1-CB 4.22Å; V52-A75 HydrophobicContact CG2-CB 3.72Å; L71-A75 WeakPolarHBondContact O-CB 3.24Å; L71-A75 PolarHBondContact O-N 3.42Å; G72-A75 PolarHBondContact O-N 2.96Å; G73-A75 VanDerWaalsContact C-N 3.34Å; G73-A75 PolarHBondContact O-N 2.95Å; A75-L78 WeakPolarHBondContact O-CB 3.35Å; A75-L78 PolarHBondContact O-N 2.73Å; A75-I79 WeakPolarHBondContact O-CG1 3.11Å; A75-I79 PolarHBondContact O-N 3.48Å; A75-I79 VanDerWaalsContact O-N 3.09Å
76S94.5Very high94Very high6 Ų660 Ų604%0.04230%0.301CS..Hα-helixtrans-64-43175-54.70000112.2A45 H49 G72 G73 A74 L78 I79 C80A45-S76 PolarHBondContact O-OG 3.15Å; H49-S76 WeakPolarHBondContact CA-OG 3.44Å; H49-S76 WeakPolarHBondContact CB-OG 3.48Å; H49-S76 PolarHBondContact CD2-OG 3.36Å; H49-S76 PolarHBondContact N-OG 3.47Å; G72-S76 WeakPolarHBondContact O-CB 3.46Å; G72-S76 PolarHBondContact O-N 3.37Å; G72-S76 PolarHBondContact O-OG 3.4Å; G73-S76 WeakPolarHBondContact O-CB 3.29Å; G73-S76 PolarHBondContact O-N 3.42Å; G73-S76 VanDerWaalsContact O-N 3.16Å; A74-S76 VanDerWaalsContact C-N 3.31Å; A74-S76 PolarHBondContact O-N 2.94Å; S76-L78 VanDerWaalsContact C-N 3.26Å; S76-L78 PolarHBondContact O-N 2.78Å; S76-I79 PolarHBondContact O-N 3.33Å; S76-C80 PolarHBondContact O-N 2.87Å; S76-C80 PolarHBondContact O-SG 3.29Å; S76-C80 VanDerWaalsContact O-SG 3.4Å
77G94.8Very high94.3Very high0 Ų058.5 Ų58.50%031%0.307CS..Hα-helixtrans-60.1-38.6175.400000111.9G73 A74 C80 T81G73-G77 PolarHBondContact O-N 3.47Å; A74-G77 PolarHBondContact O-N 3.47Å; G77-C80 PolarHBondContact O-N 3.27Å; G77-T81 PolarHBondContact O-N 3.45Å; G77-T81 VanDerWaalsContact O-N 3.13Å; G77-T81 PolarHBondContact O-OG1 3.3Å
78L96.1Very high94.4Very high88 Ų8859.2 Ų59.246%0.46131%0.308SS..Hα-helixtrans-63.8-43.7175-176.262.7000111.8A74 A75 S76 T81 W82 C93A74-L78 PolarHBondContact O-N 3.47Å; A75-L78 WeakPolarHBondContact O-CB 3.35Å; A75-L78 PolarHBondContact O-N 2.73Å; S76-L78 VanDerWaalsContact C-N 3.26Å; S76-L78 PolarHBondContact O-N 2.78Å; L78-T81 CarbonylContact O-C 3.48Å; L78-T81 PolarHBondContact O-N 2.65Å; L78-W82 VanDerWaalsContact O-CA 3.23Å; L78-W82 WeakPolarHBondContact O-CA 3.26Å; L78-W82 WeakPolarHBondContact O-CB 3.35Å; L78-W82 PolarHBondContact O-N 2.78Å; L78-C93 PolarHBondContact N-SG 3.37Å; L78-C93 VanDerWaalsContact N-SG 3.38Å
79I94.5Very high94.6Very high61 Ų6162.9 Ų62.931%0.31332%0.322SS..Hα-helixtrans-59.5-47.8175-65.2-61.2000111A44 A45 C48 A75 S76 T81A44-I79 HydrophobicContact CB-CG2 4.01Å; A45-I79 HydrophobicContact CB-CB 4.4Å; A45-I79 HydrophobicContact CB-CG2 4.23Å; C48-I79 HydrophobicContact CB-CG1 3.86Å; A75-I79 WeakPolarHBondContact O-CG1 3.11Å; A75-I79 PolarHBondContact O-N 3.48Å; A75-I79 VanDerWaalsContact O-N 3.09Å; S76-I79 PolarHBondContact O-N 3.33Å; I79-T81 PolarHBondContact O-N 2.91Å
80C93Very high94.8Very high42 Ų4262.3 Ų62.328%0.28433%0.326SS..Hα-helixtrans-63.1-23.4-179.5-700000113.8S76 G77S76-C80 PolarHBondContact O-N 2.87Å; S76-C80 PolarHBondContact O-SG 3.29Å; S76-C80 VanDerWaalsContact O-SG 3.4Å; G77-C80 PolarHBondContact O-N 3.27Å
81T94.5Very high94.9Very high12 Ų1265.5 Ų65.57%0.07434%0.344CS..Hα-helixtrans-126.417-173.458.60000113.7G77 L78 I79 N83 R84 I88 R89 T92G77-T81 PolarHBondContact O-N 3.45Å; G77-T81 VanDerWaalsContact O-N 3.13Å; G77-T81 PolarHBondContact O-OG1 3.3Å; L78-T81 CarbonylContact O-C 3.48Å; L78-T81 PolarHBondContact O-N 2.65Å; I79-T81 PolarHBondContact O-N 2.91Å; T81-N83 PolarHBondContact O-N 3.37Å; T81-R84 HydrophobicContact CG2-CG 4.39Å; T81-R84 WeakPolarHBondContact O-CB 3.43Å; T81-R84 PolarHBondContact O-N 3.44Å; T81-I88 HydrophobicContact CG2-CG2 4.18Å; T81-R89 WeakPolarHBondContact O-CG 3.15Å; T81-R89 PolarHBondContact O-NE 3.49Å; T81-R89 WeakPolarHBondContact OG1-CA 3.37Å; T81-T92 HydrophobicContact CG2-CG2 3.71Å
82W93.4Very high94.9Very high179 Ų17963 Ų6368%0.67833%0.332SS*.THydrogen-bonded Turntrans-57.7-23.9-172.193-84000113.5L78 R89L78-W82 VanDerWaalsContact O-CA 3.23Å; L78-W82 WeakPolarHBondContact O-CA 3.26Å; L78-W82 WeakPolarHBondContact O-CB 3.35Å; L78-W82 PolarHBondContact O-N 2.78Å; W82-R89 PolarHBondContact O-NE 2.88Å; W82-R89 PolarHBondContact O-NH1 2.97Å; W82-R89 PolarHBondContact O-NH2 3.27Å
83N93.6Very high95Very high103 Ų10364.1 Ų64.155%0.55134%0.34SS*.THydrogen-bonded Turntrans-101.14.5179.567.2-7.6000114.1T81T81-N83 PolarHBondContact O-N 3.37Å
84R93.5Very high95.1Very high145 Ų14568.9 Ų68.955%0.54736%0.364SS..SBendtrans-94.2175.2-179.2-58-58.1-171.7165.22.2111.8T81 I88 R89T81-R84 HydrophobicContact CG2-CG 4.39Å; T81-R84 WeakPolarHBondContact O-CB 3.43Å; T81-R84 PolarHBondContact O-N 3.44Å; R84-I88 HydrophobicContact CB-CB 3.98Å; R84-I88 HydrophobicContact CB-CD1 4.39Å; R84-I88 HydrophobicContact CB-CG2 3.8Å; R84-I88 HydrophobicContact CG-CG2 4.09Å; R84-R89 PolarHBondContact O-NE 2.88Å; R84-R89 PolarHBondContact O-NH2 3.42Å
85S95.9Very high95.1Very high66 Ų6668.8 Ų68.846%0.46237%0.366SS..  trans-65157.9174.164.80000111.7T87 I88 R89S85-T87 PolarHBondContact O-N 2.9Å; S85-I88 PolarHBondContact O-N 3.46Å; S85-I88 VanDerWaalsContact O-N 3.15Å; S85-I88 WeakPolarHBondContact OG-CG1 3.24Å; S85-R89 WeakPolarHBondContact O-CG 3.31Å; S85-R89 PolarHBondContact O-N 2.99Å
86M94.3Very high95Very high147 Ų14771.5 Ų71.572%0.72437%0.374SS*.Hα-helixtrans-57.2-38.2-178.8-171.861.6-179.600112.5I88 R89 A90M86-I88 PolarHBondContact O-N 2.79Å; M86-R89 PolarHBondContact O-N 3.24Å; M86-A90 WeakPolarHBondContact O-CB 3.32Å; M86-A90 PolarHBondContact O-N 3.36Å
87T95.8Very high95.1Very high106 Ų10672.1 Ų72.165%0.6538%0.379SS*.Hα-helixtrans-59.8-47.5177-47.80000111.8S85 R89 A90 T91S85-T87 PolarHBondContact O-N 2.9Å; T87-R89 VanDerWaalsContact C-N 3.35Å; T87-A90 PolarHBondContact O-N 3.46Å; T87-T91 WeakPolarHBondContact O-CG2 3.34Å; T87-T91 PolarHBondContact O-N 2.89Å; T87-T91 PolarHBondContact O-OG1 3.38Å; T87-T91 VanDerWaalsContact O-OG1 3.08Å
88I94.9Very high95.1Very high76 Ų7676.7 Ų76.739%0.3940%0.403SS..Hα-helixtrans-66.9-38.6179.3-64.9171.9000110.8T81 R84 S85 M86 T91 T92T81-I88 HydrophobicContact CG2-CG2 4.18Å; R84-I88 HydrophobicContact CB-CB 3.98Å; R84-I88 HydrophobicContact CB-CD1 4.39Å; R84-I88 HydrophobicContact CB-CG2 3.8Å; R84-I88 HydrophobicContact CG-CG2 4.09Å; S85-I88 PolarHBondContact O-N 3.46Å; S85-I88 VanDerWaalsContact O-N 3.15Å; S85-I88 WeakPolarHBondContact OG-CG1 3.24Å; M86-I88 PolarHBondContact O-N 2.79Å; I88-T91 PolarHBondContact O-OG1 2.92Å; I88-T91 VanDerWaalsContact O-OG1 3.11Å; I88-T92 VanDerWaalsContact O-CB 3.26Å; I88-T92 WeakPolarHBondContact O-CB 3.49Å; I88-T92 PolarHBondContact O-N 2.9Å; I88-T92 PolarHBondContact O-OG1 2.98Å
89R95.9Very high95Very high79 Ų7978.1 Ų78.130%0.29841%0.41SS..Hα-helixtrans-60.5-51.8175-69.9-179.6-156.4-176.98.2110.9T81 W82 R84 S85 M86 T87 T91 T92 C93T81-R89 WeakPolarHBondContact O-CG 3.15Å; T81-R89 PolarHBondContact O-NE 3.49Å; T81-R89 WeakPolarHBondContact OG1-CA 3.37Å; W82-R89 PolarHBondContact O-NE 2.88Å; W82-R89 PolarHBondContact O-NH1 2.97Å; W82-R89 PolarHBondContact O-NH2 3.27Å; R84-R89 PolarHBondContact O-NE 2.88Å; R84-R89 PolarHBondContact O-NH2 3.42Å; S85-R89 WeakPolarHBondContact O-CG 3.31Å; S85-R89 PolarHBondContact O-N 2.99Å; M86-R89 PolarHBondContact O-N 3.24Å; T87-R89 VanDerWaalsContact C-N 3.35Å; R89-T91 PolarHBondContact O-N 2.87Å; R89-T92 PolarHBondContact O-N 3.24Å; R89-C93 WeakPolarHBondContact O-CB 3.33Å; R89-C93 PolarHBondContact O-N 3.48Å; R89-C93 PolarHBondContact O-SG 3.23Å
90A96.1Very high94.9Very high41 Ų4176.1 Ų76.134%0.33940%0.401SS..Hα-helixtrans-60.1-48.9-177.900000111.7M86 T87 T92 C93 I94M86-A90 WeakPolarHBondContact O-CB 3.32Å; M86-A90 PolarHBondContact O-N 3.36Å; T87-A90 PolarHBondContact O-N 3.46Å; A90-T92 VanDerWaalsContact C-N 3.34Å; A90-T92 PolarHBondContact O-N 2.95Å; A90-C93 PolarHBondContact O-N 3.5Å; A90-I94 WeakPolarHBondContact O-CD1 3.39Å; A90-I94 VanDerWaalsContact O-CG1 3.26Å; A90-I94 WeakPolarHBondContact O-CG1 3.23Å; A90-I94 PolarHBondContact O-N 3.41Å
91T96.2Very high94.9Very high87 Ų8774.9 Ų74.953%0.53439%0.394SS..Hα-helixtrans-63.6-40.2179.554.50000112T87 I88 R89 I94 G95T87-T91 WeakPolarHBondContact O-CG2 3.34Å; T87-T91 PolarHBondContact O-N 2.89Å; T87-T91 PolarHBondContact O-OG1 3.38Å; T87-T91 VanDerWaalsContact O-OG1 3.08Å; I88-T91 PolarHBondContact O-OG1 2.92Å; I88-T91 VanDerWaalsContact O-OG1 3.11Å; R89-T91 PolarHBondContact O-N 2.87Å; T91-I94 PolarHBondContact O-N 3.04Å; T91-G95 PolarHBondContact O-N 3.32Å
92T94.2Very high94.8Very high32 Ų3279.4 Ų79.420%0.19642%0.417CS..Hα-helixtrans-69.4-41178.6-53.30000111.8T81 I88 R89 A90 G95 F96T81-T92 HydrophobicContact CG2-CG2 3.71Å; I88-T92 VanDerWaalsContact O-CB 3.26Å; I88-T92 WeakPolarHBondContact O-CB 3.49Å; I88-T92 PolarHBondContact O-N 2.9Å; I88-T92 PolarHBondContact O-OG1 2.98Å; R89-T92 PolarHBondContact O-N 3.24Å; A90-T92 VanDerWaalsContact C-N 3.34Å; A90-T92 PolarHBondContact O-N 2.95Å; T92-G95 PolarHBondContact O-N 3.4Å; T92-F96 HydrophobicContact CG2-CD2 3.83Å; T92-F96 HydrophobicContact CG2-CE2 3.75Å; T92-F96 HydrophobicContact CG2-CZ 4.36Å; T92-F96 WeakPolarHBondContact O-CB 3.28Å; T92-F96 WeakPolarHBondContact O-CD2 3.33Å; T92-F96 PolarHBondContact O-N 3.1Å
93C96.2Very high94.5Very high24 Ų2472.8 Ų72.816%0.16240%0.404CS..Hα-helixtrans-60.3-46.5175.1-680000111.1A74 L78 R89 A90 F96 A97A74-C93 HydrophobicContact CB-CB 4.43Å; A74-C93 PolarHBondContact O-SG 2.96Å; A74-C93 VanDerWaalsContact O-SG 3.36Å; L78-C93 PolarHBondContact N-SG 3.37Å; L78-C93 VanDerWaalsContact N-SG 3.38Å; R89-C93 WeakPolarHBondContact O-CB 3.33Å; R89-C93 PolarHBondContact O-N 3.48Å; R89-C93 PolarHBondContact O-SG 3.23Å; A90-C93 PolarHBondContact O-N 3.5Å; C93-F96 PolarHBondContact O-N 3.14Å; C93-A97 VanDerWaalsContact O-CB 3.28Å; C93-A97 WeakPolarHBondContact O-CB 3.35Å; C93-A97 PolarHBondContact O-N 2.9Å
94I96.6Very high94.3Very high103 Ų10369 Ų6953%0.52838%0.383SS..Hα-helixtrans-62.4-48.1177.4-67.6165.3000110.4A90 T91 F96 A97 I98A90-I94 WeakPolarHBondContact O-CD1 3.39Å; A90-I94 VanDerWaalsContact O-CG1 3.26Å; A90-I94 WeakPolarHBondContact O-CG1 3.23Å; A90-I94 PolarHBondContact O-N 3.41Å; T91-I94 PolarHBondContact O-N 3.04Å; I94-F96 PolarHBondContact O-N 3.26Å; I94-A97 WeakPolarHBondContact O-CB 3.34Å; I94-A97 PolarHBondContact O-N 3.17Å; I94-I98 HydrophobicContact CG2-CD1 3.77Å; I94-I98 HydrophobicContact CG2-CG1 4.45Å; I94-I98 WeakPolarHBondContact O-CG1 3.49Å; I94-I98 PolarHBondContact O-N 2.67Å
95G96.1Very high94Very high27 Ų2768.7 Ų68.728%0.27838%0.383SS..Hα-helixtrans-58.5-45.8178.500000112.5T91 T92 I98 I99T91-G95 PolarHBondContact O-N 3.32Å; T92-G95 PolarHBondContact O-N 3.4Å; G95-I98 PolarHBondContact O-N 3.47Å; G95-I99 VanDerWaalsContact O-CG1 3.3Å; G95-I99 WeakPolarHBondContact O-CG1 3.4Å; G95-I99 PolarHBondContact O-N 3.31Å
96F95.4Very high93.5Very high78 Ų7868.1 Ų68.134%0.34238%0.379SS..Hα-helixtrans-68.3-36.6178.2-83-137.7000112.2G73 T92 C93 I94 S100G73-F96 WeakPolarHBondContact O-CB 3.46Å; T92-F96 HydrophobicContact CG2-CD2 3.83Å; T92-F96 HydrophobicContact CG2-CE2 3.75Å; T92-F96 HydrophobicContact CG2-CZ 4.36Å; T92-F96 WeakPolarHBondContact O-CB 3.28Å; T92-F96 WeakPolarHBondContact O-CD2 3.33Å; T92-F96 PolarHBondContact O-N 3.1Å; C93-F96 PolarHBondContact O-N 3.14Å; I94-F96 PolarHBondContact O-N 3.26Å; F96-S100 VanDerWaalsContact O-CB 3.23Å; F96-S100 WeakPolarHBondContact O-CB 3.46Å; F96-S100 PolarHBondContact O-N 2.85Å
97A95.7Very high93Very high19 Ų1964.6 Ų64.616%0.15737%0.365CS..Hα-helixtrans-60.9-46.8174.200000111.4A70 A74 C93 I94 S100 A101A70-A97 HydrophobicContact CB-CB 4.37Å; A70-A97 WeakPolarHBondContact O-CA 3.38Å; A70-A97 WeakPolarHBondContact O-CB 3.49Å; A74-A97 HydrophobicContact CB-CB 4.19Å; C93-A97 VanDerWaalsContact O-CB 3.28Å; C93-A97 WeakPolarHBondContact O-CB 3.35Å; C93-A97 PolarHBondContact O-N 2.9Å; I94-A97 WeakPolarHBondContact O-CB 3.34Å; I94-A97 PolarHBondContact O-N 3.17Å; A97-S100 PolarHBondContact O-N 3.5Å; A97-A101 WeakPolarHBondContact O-CB 3.43Å; A97-A101 PolarHBondContact O-N 3.39Å
98I95.8Very high92.3Very high95 Ų9561.3 Ų61.349%0.48734%0.342SS..Hα-helixtrans-62.3-52.2178-67.1167.1000110.6I94 G95 S100 A101 L102I94-I98 HydrophobicContact CG2-CD1 3.77Å; I94-I98 HydrophobicContact CG2-CG1 4.45Å; I94-I98 WeakPolarHBondContact O-CG1 3.49Å; I94-I98 PolarHBondContact O-N 2.67Å; G95-I98 PolarHBondContact O-N 3.47Å; I98-S100 VanDerWaalsContact C-N 3.26Å; I98-S100 PolarHBondContact O-N 2.98Å; I98-A101 PolarHBondContact O-N 2.79Å; I98-A101 VanDerWaalsContact O-N 3.17Å; I98-L102 HydrophobicContact CG2-CD1 3.83Å; I98-L102 HydrophobicContact CG2-CG 4.3Å; I98-L102 WeakPolarHBondContact O-CB 3.48Å; I98-L102 WeakPolarHBondContact O-CG 3.3Å; I98-L102 PolarHBondContact O-N 3.18Å
99I93.5Very high91.6Very high119 Ų11960.7 Ų60.761%0.6134%0.337SS*.Hα-helixtrans-57.9-42.7179.7-68.5166.4000110.7G95 L102 G103G95-I99 VanDerWaalsContact O-CG1 3.3Å; G95-I99 WeakPolarHBondContact O-CG1 3.4Å; G95-I99 PolarHBondContact O-N 3.31Å; I99-L102 PolarHBondContact O-N 3.42Å; I99-G103 PolarHBondContact O-N 2.9Å
100S92.2Very high90.7Very high18 Ų1863.8 Ų63.813%0.12635%0.349CS..Hα-helixtrans-68.7-37.8179.4-170.60000112.9H49 H69 F96 A97 I98 G103 K104H49-S100 PolarHBondContact CE1-OG 3.01Å; H49-S100 PolarHBondContact NE2-OG 3.04Å; H69-S100 VanDerWaalsContact O-CB 3.31Å; H69-S100 WeakPolarHBondContact O-CB 3.29Å; H69-S100 PolarHBondContact O-OG 3.48Å; F96-S100 VanDerWaalsContact O-CB 3.23Å; F96-S100 WeakPolarHBondContact O-CB 3.46Å; F96-S100 PolarHBondContact O-N 2.85Å; A97-S100 PolarHBondContact O-N 3.5Å; I98-S100 VanDerWaalsContact C-N 3.26Å; I98-S100 PolarHBondContact O-N 2.98Å; S100-G103 PolarHBondContact O-N 2.9Å; S100-K104 PolarHBondContact O-N 3.21Å; S100-K104 VanDerWaalsContact O-N 3.1Å
101A92.7Very high89.6Confident17 Ų1767.4 Ų67.414%0.1436%0.362CS..Hα-helixtrans-65-46.5175.900000110.8W66 A70 A97 I98 G103 K104 Y105W66-A101 HydrophobicContact CE3-CB 4.26Å; A70-A101 HydrophobicContact CB-CB 4.16Å; A97-A101 WeakPolarHBondContact O-CB 3.43Å; A97-A101 PolarHBondContact O-N 3.39Å; I98-A101 PolarHBondContact O-N 2.79Å; I98-A101 VanDerWaalsContact O-N 3.17Å; A101-G103 VanDerWaalsContact C-N 3.31Å; A101-G103 PolarHBondContact O-N 2.9Å; A101-K104 PolarHBondContact O-N 3.1Å; A101-Y105 WeakPolarHBondContact O-CB 3.14Å; A101-Y105 PolarHBondContact O-N 3.37Å
102L92.7Very high88.7Confident107 Ų10770 Ų7056%0.5637%0.368SS*.Hα-helixtrans-61-39.8175.6-70.3174.6000111.9I98 I99 Y105 S106I98-L102 HydrophobicContact CG2-CD1 3.83Å; I98-L102 HydrophobicContact CG2-CG 4.3Å; I98-L102 WeakPolarHBondContact O-CB 3.48Å; I98-L102 WeakPolarHBondContact O-CG 3.3Å; I98-L102 PolarHBondContact O-N 3.18Å; I99-L102 PolarHBondContact O-N 3.42Å; L102-Y105 PolarHBondContact O-N 3.43Å; L102-S106 WeakPolarHBondContact O-CB 3.34Å; L102-S106 PolarHBondContact O-N 3.38Å
103G87.8Confident87.9Confident39 Ų3972.3 Ų72.340%0.40238%0.376SS..Hα-helixtrans-59.7-45.6174.300000112.4I99 S100 A101 S106 V107I99-G103 PolarHBondContact O-N 2.9Å; S100-G103 PolarHBondContact O-N 2.9Å; A101-G103 VanDerWaalsContact C-N 3.31Å; A101-G103 PolarHBondContact O-N 2.9Å; G103-S106 PolarHBondContact O-N 3.15Å; G103-V107 WeakPolarHBondContact O-CG2 3.35Å; G103-V107 PolarHBondContact O-N 3.4Å
104K88.8Confident86.5Confident23 Ų2373.9 Ų73.910%0.139%0.386CS..Hα-helixtrans-67.3-42.4175.9-178.757.2171.7179.80111.8D64 W66 H69 S100 A101 S106 V107 E108D64-K104 IonicContact OD1-NZ 2.94Å; D64-K104 PolarHBondContact OD1-NZ 3.49Å; W66-K104 HydrophobicContact CB-CB 4.34Å; W66-K104 HydrophobicContact CB-CG 4.26Å; H69-K104 HydrophobicContact CB-CB 3.96Å; H69-K104 HydrophobicContact CB-CG 4.45Å; S100-K104 PolarHBondContact O-N 3.21Å; S100-K104 VanDerWaalsContact O-N 3.1Å; A101-K104 PolarHBondContact O-N 3.1Å; K104-S106 VanDerWaalsContact C-N 3.32Å; K104-S106 PolarHBondContact O-N 3.17Å; K104-V107 PolarHBondContact O-N 3.45Å; K104-V107 VanDerWaalsContact O-N 3.15Å; K104-E108 HydrophobicContact CD-CG 4.35Å; K104-E108 WeakPolarHBondContact CE-OE1 3.43Å; K104-E108 WeakPolarHBondContact CG-OE1 3.46Å; K104-E108 WeakPolarHBondContact O-CG 3.47Å; K104-E108 PolarHBondContact O-N 2.87Å
105Y87.1Confident84.9Confident140 Ų14074.2 Ų74.255%0.54939%0.389SS..Hα-helixtrans-58.4-42.2175.2-178.8-95.6000112.1A101 L102 V107 E108 F109A101-Y105 WeakPolarHBondContact O-CB 3.14Å; A101-Y105 PolarHBondContact O-N 3.37Å; L102-Y105 PolarHBondContact O-N 3.43Å; Y105-V107 PolarHBondContact O-N 3.4Å; Y105-E108 PolarHBondContact O-N 3.46Å; Y105-F109 VanDerWaalsContact O-CB 3.31Å; Y105-F109 WeakPolarHBondContact O-CB 3.45Å; Y105-F109 PolarHBondContact O-N 3.39Å
106S85.5Confident83.3Confident54 Ų5480.8 Ų80.838%0.37841%0.406SS..Hα-helixtrans-61.4-41.4175170.80000112.5L102 G103 K104 F109 R110L102-S106 WeakPolarHBondContact O-CB 3.34Å; L102-S106 PolarHBondContact O-N 3.38Å; G103-S106 PolarHBondContact O-N 3.15Å; K104-S106 VanDerWaalsContact C-N 3.32Å; K104-S106 PolarHBondContact O-N 3.17Å; S106-F109 PolarHBondContact O-N 3.17Å; S106-R110 WeakPolarHBondContact O-CG 3.31Å; S106-R110 PolarHBondContact O-N 3.35Å
107V82.8Confident81.4Confident72 Ų7283 Ų8344%0.43642%0.417SS..Hα-helixtrans-65.4-45175.1172.70000110.8G103 K104 Y105 R110 L111G103-V107 WeakPolarHBondContact O-CG2 3.35Å; G103-V107 PolarHBondContact O-N 3.4Å; K104-V107 PolarHBondContact O-N 3.45Å; K104-V107 VanDerWaalsContact O-N 3.15Å; Y105-V107 PolarHBondContact O-N 3.4Å; V107-R110 PolarHBondContact O-N 2.82Å; V107-L111 HydrophobicContact CG1-CD1 4.16Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 2.92Å
108E81.5Confident79.2Confident38 Ų3883.9 Ų83.918%0.17842%0.42CS..Hα-helixtrans-61.4-43.8176.5-73.3172.2-171.500111.8K104 Y105 R110 L111 Q112K104-E108 HydrophobicContact CD-CG 4.35Å; K104-E108 WeakPolarHBondContact CE-OE1 3.43Å; K104-E108 WeakPolarHBondContact CG-OE1 3.46Å; K104-E108 WeakPolarHBondContact O-CG 3.47Å; K104-E108 PolarHBondContact O-N 2.87Å; Y105-E108 PolarHBondContact O-N 3.46Å; E108-R110 PolarHBondContact O-N 2.98Å; E108-L111 PolarHBondContact O-N 3.47Å; E108-Q112 WeakPolarHBondContact O-CG 3.38Å; E108-Q112 PolarHBondContact O-N 3.02Å
109F81.5Confident77Confident63 Ų6380.4 Ų80.428%0.27640%0.403SS..Hα-helixtrans-58.8-46.7175.9-178.7-94.2000111.7Y105 S106 L111 Q112 H113 W116Y105-F109 VanDerWaalsContact O-CB 3.31Å; Y105-F109 WeakPolarHBondContact O-CB 3.45Å; Y105-F109 PolarHBondContact O-N 3.39Å; S106-F109 PolarHBondContact O-N 3.17Å; F109-L111 VanDerWaalsContact C-N 3.3Å; F109-L111 PolarHBondContact O-N 3.03Å; F109-Q112 PolarHBondContact O-N 3.5Å; F109-H113 AromaticContact CE2-CD2 3.5Å; F109-H113 AromaticContact CE2-NE2 3.72Å; F109-H113 AromaticContact CZ-CD2 3.53Å; F109-H113 PolarHBondContact O-N 2.8Å; F109-W116 AromaticContact CE1-CD1 3.93Å; F109-W116 HydrophobicContact CE1-CD2 4.33Å; F109-W116 HydrophobicContact CE1-CG 4.05Å; F109-W116 HydrophobicContact CZ-CD2 4.25Å; F109-W116 HydrophobicContact CZ-CG 4.43Å
110R76.1Confident74.9Confident143 Ų14378.2 Ų78.254%0.5440%0.396SS..Hα-helixtrans-64.2-32.4176.4-72.6177.4-175.1-121.8-0.4113.2S106 V107 E108 H113 P114S106-R110 WeakPolarHBondContact O-CG 3.31Å; S106-R110 PolarHBondContact O-N 3.35Å; V107-R110 PolarHBondContact O-N 2.82Å; E108-R110 PolarHBondContact O-N 2.98Å; R110-H113 CarbonylContact O-C 3.42Å; R110-P114 WeakPolarHBondContact O-CA 3.42Å
111L73.6Confident72.8Confident118 Ų11880.9 Ų80.962%0.61841%0.411SS*.Hα-helixtrans-72.5-35.8175-72.2171.4000112V107 E108 F109V107-L111 HydrophobicContact CG1-CD1 4.16Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 2.92Å; E108-L111 PolarHBondContact O-N 3.47Å; F109-L111 VanDerWaalsContact C-N 3.3Å; F109-L111 PolarHBondContact O-N 3.03Å
112Q77.8Confident70.7Confident140 Ų14083.7 Ų83.765%0.65444%0.442SS*.Hα-helixtrans-76.6-28.8177.4-71.5178.10.700112.5E108 F109 P114E108-Q112 WeakPolarHBondContact O-CG 3.38Å; E108-Q112 PolarHBondContact O-N 3.02Å; F109-Q112 PolarHBondContact O-N 3.5Å; Q112-P114 VanDerWaalsContact C-CD 3.44Å; Q112-P114 WeakPolarHBondContact O-CD 3.43Å
113H77.5Confident68.6Low81 Ų8184.2 Ų84.238%0.37544%0.441SS..  trans-125.267.1-178.6-56.97000108.9F109 R110 D115 W116F109-H113 AromaticContact CE2-CD2 3.5Å; F109-H113 AromaticContact CE2-NE2 3.72Å; F109-H113 AromaticContact CZ-CD2 3.53Å; F109-H113 PolarHBondContact O-N 2.8Å; R110-H113 CarbonylContact O-C 3.42Å; H113-D115 PolarHBondContact O-N 3.29Å; H113-W116 HydrophobicContact CB-CB 3.86Å; H113-W116 VanDerWaalsContact O-CB 3.31Å; H113-W116 WeakPolarHBondContact O-CB 3.42Å; H113-W116 PolarHBondContact O-N 3.47Å; H113-W116 VanDerWaalsContact O-N 3.08Å
114P65.3Low66.9Low57 Ų5793.8 Ų93.837%0.3747%0.467SS..G310 helixtrans-56.3-39.7-175.723.2-33000110.8R110 Q112 W116 V118R110-P114 WeakPolarHBondContact O-CA 3.42Å; Q112-P114 VanDerWaalsContact C-CD 3.44Å; Q112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-W116 VanDerWaalsContact C-N 3.28Å; P114-W116 PolarHBondContact O-N 2.86Å; P114-V118 VanDerWaalsContact O-CG2 3.32Å; P114-V118 WeakPolarHBondContact O-CG2 3.32Å
115D64.4Low65Low111 Ų11199.1 Ų99.159%0.59450%0.496SS*.G310 helixtrans-77.9-5.3-176.4-52.8-43.2000114.3H113 H117H113-D115 PolarHBondContact O-N 3.29Å; D115-H117 PolarHBondContact O-N 2.81Å
116W60.8Low63.2Low165 Ų16594 Ų9463%0.62548%0.48SS*.G310 helixtrans-63.3-18.8-178.2-169.9-92.4000112.9F109 H113 P114F109-W116 AromaticContact CE1-CD1 3.93Å; F109-W116 HydrophobicContact CE1-CD2 4.33Å; F109-W116 HydrophobicContact CE1-CG 4.05Å; F109-W116 HydrophobicContact CZ-CD2 4.25Å; F109-W116 HydrophobicContact CZ-CG 4.43Å; H113-W116 HydrophobicContact CB-CB 3.86Å; H113-W116 VanDerWaalsContact O-CB 3.31Å; H113-W116 WeakPolarHBondContact O-CB 3.42Å; H113-W116 PolarHBondContact O-N 3.47Å; H113-W116 VanDerWaalsContact O-N 3.08Å; P114-W116 VanDerWaalsContact C-N 3.28Å; P114-W116 PolarHBondContact O-N 2.86Å
117H56.3Low61.2Low125 Ų12594 Ų9458%0.57948%0.48SS*.SBendtrans-144.718.3176-73.8-45.7000113.5D115 P119D115-H117 PolarHBondContact O-N 2.81Å; H117-P119 WeakPolarHBondContact O-CD 3.31Å; H117-P119 VanDerWaalsContact O-N 3.15Å
118V50.5Low59.4Low36 Ų3695 Ų9522%0.21849%0.488CS..  trans-72.8110.6169.5-179.60000106.1P114 V120 Y138P114-V118 VanDerWaalsContact O-CG2 3.32Å; P114-V118 WeakPolarHBondContact O-CG2 3.32Å; V118-V120 PolarHBondContact O-N 3.04Å; V118-Y138 HydrophobicContact CG1-CD2 4.09Å; V118-Y138 HydrophobicContact CG1-CG 4.33Å; V118-Y138 HydrophobicContact CG2-CD2 4.49Å
119P49.4Very low57.6Low22 Ų22101.8 Ų101.814%0.14351%0.514CS..PPolyproline II helixtrans-70.1125172.917.6-3.3000107H117 V121 P126H117-P119 WeakPolarHBondContact O-CD 3.31Å; H117-P119 VanDerWaalsContact O-N 3.15Å; P119-V121 PolarHBondContact O-N 3.24Å; P119-P126 HydrophobicContact CB-CG 3.97Å; P119-P126 HydrophobicContact CG-CG 3.18Å
120V49.8Very low55.8Low74 Ų74102 Ų10245%0.44852%0.52SS..PPolyproline II helixtrans-62.1134.7174.9-176.40000106.8V118 G122 E123V118-V120 PolarHBondContact O-N 3.04Å; V120-G122 PolarHBondContact O-N 3.43Å; V120-E123 HydrophobicContact CB-CG 4.37Å; V120-E123 PolarHBondContact N-OE2 2.94Å; V120-E123 PolarHBondContact O-N 3.38Å
121V47.9Very low54.5Low73 Ų7397.5 Ų97.544%0.44251%0.51SS..THydrogen-bonded Turntrans-56120.4178.2-175.60000108.9P119 L148P119-V121 PolarHBondContact O-N 3.24Å; V121-L148 HydrophobicContact CB-CD1 3.66Å; V121-L148 HydrophobicContact CG1-CD1 3.21Å; V121-L148 HydrophobicContact CG1-CD2 4.3Å; V121-L148 HydrophobicContact CG1-CG 4.37Å; V121-L148 HydrophobicContact CG2-CD1 4.25Å
122G48Very low53.2Low77 Ų7797.2 Ų97.279%0.79451%0.509SS*.THydrogen-bonded Turntrans113.5-10.8-173.700000115V120V120-G122 PolarHBondContact O-N 3.43Å
123E49.1Very low51.9Low117 Ų11796.9 Ų96.955%0.54751%0.512SS..SBendtrans-77.2136.4169.6-70.2-178.5159.200111V120 N125V120-E123 HydrophobicContact CB-CG 4.37Å; V120-E123 PolarHBondContact N-OE2 2.94Å; V120-E123 PolarHBondContact O-N 3.38Å; E123-N125 PolarHBondContact O-N 3.02Å
124Y51.5Low50.7Low241 Ų24196.6 Ų96.695%0.94551%0.511SS*.SBendtrans-56.5-9.9-172.5-115.8-94.4000115.6
125N48Very low50Low134 Ų134100.3 Ų100.372%0.71752%0.517SS*.SBendtrans-153.9122.5-179.5-154.96.9000106.9E123E123-N125 PolarHBondContact O-N 3.02Å
126P49.4Very low49.6Very low33 Ų33104.9 Ų104.921%0.21453%0.526CS..SBendcis-102.2163.422.942.3-36.4000112.4P119 V130P119-P126 HydrophobicContact CB-CG 3.97Å; P119-P126 HydrophobicContact CG-CG 3.18Å; P126-V130 HydrophobicContact CB-CB 3.74Å; P126-V130 HydrophobicContact CB-CG1 3.96Å; P126-V130 HydrophobicContact CB-CG2 4.03Å; P126-V130 HydrophobicContact CG-CB 4Å; P126-V130 HydrophobicContact CG-CG1 4.08Å
127S43.7Very low49.4Very low54 Ų54100.6 Ų100.638%0.37851%0.514SS..  trans-53.3148.517885.30000110.8Y129 V130S127-Y129 PolarHBondContact O-N 2.82Å; S127-Y129 PolarHBondContact OG-N 2.87Å; S127-V130 PolarHBondContact O-N 3.02Å
128P46.3Very low49.5Very low92 Ų9298.1 Ų98.160%0.59750%0.5SS*.Hα-helixtrans-53.8-16.4176.817.6-30.4000113.8S131 L132P128-S131 PolarHBondContact O-OG 3.08Å; P128-L132 WeakPolarHBondContact O-CD1 3.33Å; P128-L132 PolarHBondContact O-N 3.21Å
129Y43.4Very low50.1Low182 Ų182106.9 Ų106.971%0.71454%0.535SS*.Hα-helixtrans-77.3-23.1174.4-60.5-78.1000114.1S127S127-Y129 PolarHBondContact O-N 2.82Å; S127-Y129 PolarHBondContact OG-N 2.87Å
130V43.9Very low50.9Low67 Ų67106.3 Ų106.341%0.40653%0.534SS..Hα-helixtrans-84-35.6176.3-177.20000111P126 S127 L132 N133P126-V130 HydrophobicContact CB-CB 3.74Å; P126-V130 HydrophobicContact CB-CG1 3.96Å; P126-V130 HydrophobicContact CB-CG2 4.03Å; P126-V130 HydrophobicContact CG-CB 4Å; P126-V130 HydrophobicContact CG-CG1 4.08Å; S127-V130 PolarHBondContact O-N 3.02Å; V130-L132 VanDerWaalsContact C-N 3.34Å; V130-N133 PolarHBondContact O-N 2.87Å
131S47.7Very low51.6Low49 Ų49103.7 Ų103.734%0.34352%0.519SS..Hα-helixtrans-67.6-32.1175.758.60000112.6P128 N133 Q134 R135P128-S131 PolarHBondContact O-OG 3.08Å; S131-N133 VanDerWaalsContact C-N 3.34Å; S131-N133 PolarHBondContact O-N 3.21Å; S131-Q134 PolarHBondContact O-N 3.32Å; S131-R135 PolarHBondContact O-N 3.14Å
132L46.5Very low52.5Low111 Ų111109.3 Ų109.358%0.58153%0.533SS*.Hα-helixtrans-61.2-35.4174.9-93.6154.9000113.7P128 V130P128-L132 WeakPolarHBondContact O-CD1 3.33Å; P128-L132 PolarHBondContact O-N 3.21Å; V130-L132 VanDerWaalsContact C-N 3.34Å
133N49.9Very low53.6Low134 Ų134112.1 Ų112.172%0.71753%0.525SS*.THydrogen-bonded Turntrans-82.3-9.7179.4-97.9-18.3000114.2V130 S131 W136V130-N133 PolarHBondContact O-N 2.87Å; S131-N133 VanDerWaalsContact C-N 3.34Å; S131-N133 PolarHBondContact O-N 3.21Å; N133-W136 PolarHBondContact O-NE1 3.44Å
134Q53.4Low54.3Low75 Ų75107.8 Ų107.835%0.3551%0.505SS..THydrogen-bonded Turntrans-1088177.9-66.7-173.1-12.200113.2S131 W136 M137S131-Q134 PolarHBondContact O-N 3.32Å; Q134-W136 PolarHBondContact O-N 3.15Å; Q134-M137 HydrophobicContact CG-SD 4.36Å; Q134-M137 WeakPolarHBondContact O-CB 3.48Å; Q134-M137 PolarHBondContact O-N 3.31Å
135R50.9Low54.9Low135 Ų13599.6 Ų99.651%0.50948%0.475SS..THydrogen-bonded Turntrans-54.9-26.6-178.4-158.9175.6-174.2-156.8-2.2114.1S131 A141 E145S131-R135 PolarHBondContact O-N 3.14Å; R135-A141 HydrophobicContact CG-CB 4.41Å; R135-E145 IonicContact CZ-OE1 2.79Å; R135-E145 IonicContact CZ-OE2 2.85Å; R135-E145 IonicContact NE-OE1 3.04Å; R135-E145 PolarHBondContact NE-OE1 3.12Å; R135-E145 IonicContact NE-OE2 2.81Å; R135-E145 VanDerWaalsContact NH2-CD 3.35Å; R135-E145 IonicContact NH2-OE1 3.32Å; R135-E145 PolarHBondContact NH2-OE1 2.98Å; R135-E145 IonicContact NH2-OE2 3.79Å; R135-E145 PolarHBondContact NH2-OE2 3.48Å
136W55.1Low55.9Low206 Ų20698.2 Ų98.278%0.7847%0.465SS*.THydrogen-bonded Turntrans-83.7-14.2176.359.1-85000114N133 Q134N133-W136 PolarHBondContact O-NE1 3.44Å; Q134-W136 PolarHBondContact O-N 3.15Å
137M57Low56.9Low76 Ų76102.1 Ų102.137%0.37448%0.48SS..THydrogen-bonded Turntrans-89.4-27.9-180-63.5-175.373.800112.7Q134Q134-M137 HydrophobicContact CG-SD 4.36Å; Q134-M137 WeakPolarHBondContact O-CB 3.48Å; Q134-M137 PolarHBondContact O-N 3.31Å
138Y59Low57.8Low73 Ų73103 Ų10329%0.28648%0.48SS..  trans-98.3104.4-179.7-171.9-118.4000111.3V118 G140 A141 Q144V118-Y138 HydrophobicContact CG1-CD2 4.09Å; V118-Y138 HydrophobicContact CG1-CG 4.33Å; V118-Y138 HydrophobicContact CG2-CD2 4.49Å; Y138-G140 VanDerWaalsContact CD1-C 3.41Å; Y138-G140 VanDerWaalsContact CE1-CA 3.5Å; Y138-G140 PolarHBondContact O-N 3.43Å; Y138-G140 VanDerWaalsContact O-N 3.15Å; Y138-A141 VanDerWaalsContact CD1-CA 3.42Å; Y138-A141 HydrophobicContact CD1-CB 3.87Å; Y138-A141 WeakPolarHBondContact O-CB 3.37Å; Y138-A141 PolarHBondContact O-N 3.01Å; Y138-A141 VanDerWaalsContact O-N 3.12Å; Y138-Q144 HydrophobicContact CE1-CB 4.5Å; Y138-Q144 HydrophobicContact CE1-CG 4.47Å
139K63.4Low58.6Low219 Ų219105.4 Ų105.495%0.95248%0.483SS*.THydrogen-bonded Turntrans-60.8-22.1179-74.4-176.9178.5177.20113.4
140G65Low59.9Low11 Ų11104.1 Ų104.111%0.11348%0.482CS..THydrogen-bonded Turntrans-90.33.5178.100000115.2Y138 R142 Q143 Q144Y138-G140 VanDerWaalsContact CD1-C 3.41Å; Y138-G140 VanDerWaalsContact CE1-CA 3.5Å; Y138-G140 PolarHBondContact O-N 3.43Å; Y138-G140 VanDerWaalsContact O-N 3.15Å; G140-R142 PolarHBondContact O-N 2.95Å; G140-R142 VanDerWaalsContact O-N 3.14Å; G140-Q143 PolarHBondContact O-N 2.98Å; G140-Q144 PolarHBondContact O-N 2.84Å; G140-Q144 VanDerWaalsContact O-N 3.09Å
141A64.8Low60.7Low18 Ų18108.7 Ų108.715%0.14950%0.498CS..Hα-helixtrans-57.1-37.5-170.600000113R135 Y138 Q144 E145R135-A141 HydrophobicContact CG-CB 4.41Å; Y138-A141 VanDerWaalsContact CD1-CA 3.42Å; Y138-A141 HydrophobicContact CD1-CB 3.87Å; Y138-A141 WeakPolarHBondContact O-CB 3.37Å; Y138-A141 PolarHBondContact O-N 3.01Å; Y138-A141 VanDerWaalsContact O-N 3.12Å; A141-Q144 PolarHBondContact O-N 3.06Å; A141-E145 WeakPolarHBondContact O-CB 3.33Å; A141-E145 WeakPolarHBondContact O-CG 3.44Å; A141-E145 PolarHBondContact O-N 3.43Å
142R67Low60.9Low192 Ų192115.1 Ų115.173%0.72554%0.535SS*.Hα-helixtrans-64.2-41.8175.3-107.4-172.8-179.3169.7-0.8113.4G140 Q144 E145 E146G140-R142 PolarHBondContact O-N 2.95Å; G140-R142 VanDerWaalsContact O-N 3.14Å; R142-Q144 VanDerWaalsContact C-N 3.34Å; R142-E145 PolarHBondContact O-N 2.97Å; R142-E146 WeakPolarHBondContact O-CB 3.28Å; R142-E146 WeakPolarHBondContact O-CG 3.32Å; R142-E146 PolarHBondContact O-N 3.28Å
143Q69.9Low61.6Low135 Ų135115.3 Ų115.363%0.63153%0.532SS*.Hα-helixtrans-68-38.1-179.9-73.2177.2-28.700111.1G140 E146 E147G140-Q143 PolarHBondContact O-N 2.98Å; Q143-E146 PolarHBondContact O-N 3.4Å; Q143-E147 WeakPolarHBondContact O-CB 3.12Å; Q143-E147 WeakPolarHBondContact O-CG 3.46Å; Q143-E147 PolarHBondContact O-N 2.96Å
144Q64.7Low62.2Low27 Ų27114.3 Ų114.313%0.12652%0.523CS..Hα-helixtrans-67.4-42.3174.5-110.3178.1-11.900112.8Y138 G140 A141 R142 E146 E147 L148Y138-Q144 HydrophobicContact CE1-CB 4.5Å; Y138-Q144 HydrophobicContact CE1-CG 4.47Å; G140-Q144 PolarHBondContact O-N 2.84Å; G140-Q144 VanDerWaalsContact O-N 3.09Å; A141-Q144 PolarHBondContact O-N 3.06Å; R142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-E146 VanDerWaalsContact C-N 3.35Å; Q144-E147 PolarHBondContact O-N 3.09Å; Q144-L148 VanDerWaalsContact O-CD1 3.32Å; Q144-L148 WeakPolarHBondContact O-CD1 3.36Å; Q144-L148 VanDerWaalsContact O-CG 3.28Å; Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 3.05Å
145E64.8Low62.7Low68 Ų68116.5 Ų116.532%0.31853%0.532SS..Hα-helixtrans-58.2-46.8172.9-75.3171.9-17600110.5R135 A141 R142 E147 L148 E149R135-E145 IonicContact CZ-OE1 2.79Å; R135-E145 IonicContact CZ-OE2 2.85Å; R135-E145 IonicContact NE-OE1 3.04Å; R135-E145 PolarHBondContact NE-OE1 3.12Å; R135-E145 IonicContact NE-OE2 2.81Å; R135-E145 VanDerWaalsContact NH2-CD 3.35Å; R135-E145 IonicContact NH2-OE1 3.32Å; R135-E145 PolarHBondContact NH2-OE1 2.98Å; R135-E145 IonicContact NH2-OE2 3.79Å; R135-E145 PolarHBondContact NH2-OE2 3.48Å; A141-E145 WeakPolarHBondContact O-CB 3.33Å; A141-E145 WeakPolarHBondContact O-CG 3.44Å; A141-E145 PolarHBondContact O-N 3.43Å; R142-E145 PolarHBondContact O-N 2.97Å; E145-E147 VanDerWaalsContact C-N 3.33Å; E145-E147 PolarHBondContact O-N 3.44Å; E145-L148 PolarHBondContact O-N 3.19Å; E145-E149 WeakPolarHBondContact O-CG 3.49Å; E145-E149 PolarHBondContact O-N 3.35Å
146E69.3Low63.4Low105 Ų105115.4 Ų115.449%0.49153%0.534SS..Hα-helixtrans-64.7-31.1176.5-75.3173.3-166.400113.7R142 Q143 Q144 K150R142-E146 WeakPolarHBondContact O-CB 3.28Å; R142-E146 WeakPolarHBondContact O-CG 3.32Å; R142-E146 PolarHBondContact O-N 3.28Å; Q143-E146 PolarHBondContact O-N 3.4Å; Q144-E146 VanDerWaalsContact C-N 3.35Å; E146-K150 WeakPolarHBondContact O-CG 3.36Å
147E68.5Low63.9Low115 Ų115109.8 Ų109.854%0.53752%0.518SS..Hα-helixtrans-74.1-37.6174.8-80.8-178.9175.300112.4Q143 Q144 E145 K150 H151Q143-E147 WeakPolarHBondContact O-CB 3.12Å; Q143-E147 WeakPolarHBondContact O-CG 3.46Å; Q143-E147 PolarHBondContact O-N 2.96Å; Q144-E147 PolarHBondContact O-N 3.09Å; E145-E147 VanDerWaalsContact C-N 3.33Å; E145-E147 PolarHBondContact O-N 3.44Å; E147-K150 PolarHBondContact O-N 3.44Å; E147-H151 PolarHBondContact O-ND1 2.8Å
148L62.6Low64.4Low73 Ų73112 Ų11238%0.38253%0.528SS..Hα-helixtrans-70.5-39.2176.9-70.5157.9000111.9V121 Q144 E145 K150 H151 V152V121-L148 HydrophobicContact CB-CD1 3.66Å; V121-L148 HydrophobicContact CG1-CD1 3.21Å; V121-L148 HydrophobicContact CG1-CD2 4.3Å; V121-L148 HydrophobicContact CG1-CG 4.37Å; V121-L148 HydrophobicContact CG2-CD1 4.25Å; Q144-L148 VanDerWaalsContact O-CD1 3.32Å; Q144-L148 WeakPolarHBondContact O-CD1 3.36Å; Q144-L148 VanDerWaalsContact O-CG 3.28Å; Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 3.05Å; E145-L148 PolarHBondContact O-N 3.19Å; L148-K150 PolarHBondContact O-N 3.27Å; L148-H151 PolarHBondContact O-N 2.93Å; L148-V152 PolarHBondContact O-N 2.99Å
149E64.6Low64.8Low142 Ų142114.8 Ų114.866%0.66455%0.545SS*.THydrogen-bonded Turntrans-62.7-19.6175-75.3179.2179.100113E145 H151E145-E149 WeakPolarHBondContact O-CG 3.49Å; E145-E149 PolarHBondContact O-N 3.35Å; E149-H151 VanDerWaalsContact C-N 3.33Å
150K70.6Confident64.9Low156 Ų156106.8 Ų106.868%0.67851%0.514SS*.THydrogen-bonded Turntrans-78.5-15.3172.8-70.7169.3-170.9169.70113.8E146 E147 L148E146-K150 WeakPolarHBondContact O-CG 3.36Å; E147-K150 PolarHBondContact O-N 3.44Å; L148-K150 PolarHBondContact O-N 3.27Å
151H60.1Low64.9Low163 Ų163114.8 Ų114.876%0.75555%0.547SS*.  trans-114.28.9-174.3-63.384.6000113.1E147 L148 E149E147-H151 PolarHBondContact O-ND1 2.8Å; L148-H151 PolarHBondContact O-N 2.93Å; E149-H151 VanDerWaalsContact C-N 3.33Å
152V51.6Low64.9Low183 Ų183123.5 Ų123.5100%1.10958%0.583SS**  trans-114.90171.5178.70000108.9L148L148-V152 PolarHBondContact O-N 2.99Å

Retrieved 152 of 152 residues in 248 ms (Link to these results)

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