A0A087XEH6_POEFO Loading...

F-box protein 16

AlphaFold DB , UniProt , Accession A0A087XEH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 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
1M51.3Low67.2Low211 Ų211124.8 Ų124.8100%1.03961%0.613SS**  01180-77.7-175.7173.200109.2T3M1-T3 PolarHBondContact O-N 3.44Å
2Q45.8Very low68.7Low182 Ų182128.6 Ų128.685%0.8564%0.638SS**  trans-85.6104.7179.5-130.6169.59.800108.3K4Q2-K4 VanDerWaalsContact C-N 3.3Å; Q2-K4 PolarHBondContact O-N 3.05Å
3T58.9Low70.1Confident61 Ų61125.5 Ų125.537%0.37462%0.62SS.*  trans-88.77.6-174.948.80000113.7M1 R5 S6 L20M1-T3 PolarHBondContact O-N 3.44Å; T3-R5 PolarHBondContact O-N 3.25Å; T3-S6 PolarHBondContact O-N 3.07Å; T3-S6 PolarHBondContact O-OG 2.71Å; T3-L20 HydrophobicContact CG2-CD1 4.22Å
4K50.9Low71.3Confident175 Ų175123.6 Ų123.676%0.76162%0.622SS**THydrogen-bonded Turntrans-62.7119.3-177-69.4-176.6178.5-179.50109.6Q2Q2-K4 VanDerWaalsContact C-N 3.3Å; Q2-K4 PolarHBondContact O-N 3.05Å
5R57.4Low72.4Confident258 Ų258124.7 Ų124.797%0.97463%0.629SS**THydrogen-bonded Turntrans776.6174.8-48.4179.2120.2141.80.3117.7T3T3-R5 PolarHBondContact O-N 3.25Å
6S70.9Confident73.2Confident46 Ų46122.6 Ų122.632%0.32262%0.618SS.*  trans-83.2135.1173.469.70000111.6T3 R24T3-S6 PolarHBondContact O-N 3.07Å; T3-S6 PolarHBondContact O-OG 2.71Å; S6-R24 PolarHBondContact O-NH2 2.93Å
7A72.1Confident74.1Confident97 Ų97117.8 Ų117.880%0.80260%0.595SS**  trans-78.2-9.1167.300000112.4T9A7-T9 PolarHBondContact O-OG1 3.14Å
8W83.9Confident75Confident157 Ų157115.1 Ų115.160%0.59559%0.588SS**  trans-60.2137.6179.1-176.684000111.5P10 R24W8-P10 HydrophobicContact CH2-CB 3.49Å; W8-P10 VanDerWaalsContact CH2-CB 3.49Å; W8-P10 HydrophobicContact CH2-CG 4.3Å; W8-P10 HydrophobicContact CZ2-CB 4.17Å; W8-P10 HydrophobicContact CZ3-CB 3.69Å; W8-P10 HydrophobicContact CZ3-CG 3.99Å; W8-R24 PolarHBondContact O-NH2 3.42Å
9T83Confident75.8Confident45 Ų45116.4 Ų116.428%0.27659%0.589SS.*  trans-129.2124.2179.3-52.10000108A7 L11 L20 R24A7-T9 PolarHBondContact O-OG1 3.14Å; T9-L11 VanDerWaalsContact C-N 3.29Å; T9-L11 HydrophobicContact CG2-CD2 4.15Å; T9-L11 PolarHBondContact O-N 3.38Å; T9-L20 HydrophobicContact CG2-CD2 4.09Å; T9-R24 PolarHBondContact OG1-NH1 3.28Å
10P83.3Confident76.6Confident10 Ų10111.4 Ų111.47%0.06556%0.564CS.*  trans-72.780.4-178.527.2-30.9000110.8W8 N12 H13 M16 N17W8-P10 HydrophobicContact CH2-CB 3.49Å; W8-P10 VanDerWaalsContact CH2-CB 3.49Å; W8-P10 HydrophobicContact CH2-CG 4.3Å; W8-P10 HydrophobicContact CZ2-CB 4.17Å; W8-P10 HydrophobicContact CZ3-CB 3.69Å; W8-P10 HydrophobicContact CZ3-CG 3.99Å; P10-N12 PolarHBondContact O-N 3.12Å; P10-H13 HydrophobicContact CB-CB 4.47Å; P10-H13 PolarHBondContact O-N 3.17Å; P10-M16 HydrophobicContact CG-CB 4.01Å; P10-N17 HydrophobicContact CG-CB 4.49Å; P10-N17 WeakPolarHBondContact O-CB 3.46Å
11L81.8Confident77.2Confident131 Ų131111.7 Ų111.769%0.68656%0.562SS**THydrogen-bonded Turntrans-63.9-29.9-178.3-61.8179.6000112.7T9 H13T9-L11 VanDerWaalsContact C-N 3.29Å; T9-L11 HydrophobicContact CG2-CD2 4.15Å; T9-L11 PolarHBondContact O-N 3.38Å; L11-H13 VanDerWaalsContact C-N 3.33Å; L11-H13 PolarHBondContact O-N 3.49Å
12N84.9Confident79.2Confident170 Ų170104.2 Ų104.291%0.90953%0.526SS*.THydrogen-bonded Turntrans-82.1-6.6-177.4-60.3-19.7000113.9P10P10-N12 PolarHBondContact O-N 3.12Å
13H87.6Confident81.3Confident88 Ų88100 Ų10041%0.40751%0.506SS..  trans-12593179.2-167-45.7000110.6P10 L11 L15 M16 N17P10-H13 HydrophobicContact CB-CB 4.47Å; P10-H13 PolarHBondContact O-N 3.17Å; L11-H13 VanDerWaalsContact C-N 3.33Å; L11-H13 PolarHBondContact O-N 3.49Å; H13-L15 PolarHBondContact O-N 2.87Å; H13-M16 HydrophobicContact CB-CB 4.17Å; H13-M16 HydrophobicContact CB-CG 4.46Å; H13-M16 HydrophobicContact CB-SD 4.4Å; H13-M16 PolarHBondContact ND1-N 3.1Å; H13-M16 PolarHBondContact O-N 3.46Å; H13-N17 PolarHBondContact O-N 3.49Å
14P87Confident82.9Confident99 Ų99101.1 Ų101.164%0.64350%0.504SS*.Hα-helixtrans-55.4-44.2-171.1-28.535000114.7N17 S18P14-N17 PolarHBondContact O-N 3.34Å; P14-S18 PolarHBondContact O-N 3.39Å
15L87.1Confident84.9Confident140 Ų14099.3 Ų99.373%0.73349%0.492SS*.Hα-helixtrans-64.6-44.3-179.5-61172.7000112.6H13 N17 S18 K19H13-L15 PolarHBondContact O-N 2.87Å; L15-N17 VanDerWaalsContact C-N 3.35Å; L15-S18 PolarHBondContact O-N 2.92Å; L15-K19 WeakPolarHBondContact O-CB 3.45Å; L15-K19 PolarHBondContact O-N 3.25Å
16M85Confident86.6Confident91 Ų9192.2 Ų92.245%0.44847%0.47SS..Hα-helixtrans-67.9-36.3176.9-70.3-17770.500111.7P10 H13 L20P10-M16 HydrophobicContact CG-CB 4.01Å; H13-M16 HydrophobicContact CB-CB 4.17Å; H13-M16 HydrophobicContact CB-CG 4.46Å; H13-M16 HydrophobicContact CB-SD 4.4Å; H13-M16 PolarHBondContact ND1-N 3.1Å; H13-M16 PolarHBondContact O-N 3.46Å; M16-L20 WeakPolarHBondContact O-CB 3.39Å; M16-L20 PolarHBondContact O-N 3.02Å
17N89.4Confident87.7Confident42 Ų4293.6 Ų93.623%0.22547%0.473CS..Hα-helixtrans-61.9-51.3174.2-169.5-22.9000111.1P10 H13 P14 L15 K19 L20 F21P10-N17 HydrophobicContact CG-CB 4.49Å; P10-N17 WeakPolarHBondContact O-CB 3.46Å; H13-N17 PolarHBondContact O-N 3.49Å; P14-N17 PolarHBondContact O-N 3.34Å; L15-N17 VanDerWaalsContact C-N 3.35Å; N17-K19 VanDerWaalsContact C-N 3.33Å; N17-K19 PolarHBondContact O-N 2.87Å; N17-L20 PolarHBondContact O-N 2.91Å; N17-F21 WeakPolarHBondContact O-CB 3.34Å; N17-F21 PolarHBondContact O-N 2.94Å
18S90.6Very high88.8Confident69 Ų6992.1 Ų92.148%0.48345%0.451SS..Hα-helixtrans-58-46.1179.2-168.70000111.7P14 L15 L20 F21 D22P14-S18 PolarHBondContact O-N 3.39Å; L15-S18 PolarHBondContact O-N 2.92Å; S18-L20 PolarHBondContact O-N 2.87Å; S18-F21 WeakPolarHBondContact O-CB 3.3Å; S18-F21 PolarHBondContact O-N 2.94Å; S18-D22 PolarHBondContact O-N 3.3Å
19K89.7Confident89.3Confident140 Ų14087.7 Ų87.761%0.60945%0.448SS*.Hα-helixtrans-60-47177.6-175177.9178.6178.60111.7L15 N17 F21 D22 E23L15-K19 WeakPolarHBondContact O-CB 3.45Å; L15-K19 PolarHBondContact O-N 3.25Å; N17-K19 VanDerWaalsContact C-N 3.33Å; N17-K19 PolarHBondContact O-N 2.87Å; K19-F21 VanDerWaalsContact C-N 3.35Å; K19-F21 PolarHBondContact O-N 2.99Å; K19-D22 PolarHBondContact O-N 3.15Å; K19-E23 VanDerWaalsContact CE-OE1 3.28Å; K19-E23 WeakPolarHBondContact CE-OE1 3.4Å; K19-E23 WeakPolarHBondContact O-CG 3.33Å; K19-E23 PolarHBondContact O-N 3.23Å
20L90.5Very high89.9Confident15 Ų1592.7 Ų92.78%0.07947%0.466CS..Hα-helixtrans-67.1-35.5179.9-173.6117.7000112.3T3 T9 M16 N17 S18 R24T3-L20 HydrophobicContact CG2-CD1 4.22Å; T9-L20 HydrophobicContact CG2-CD2 4.09Å; M16-L20 WeakPolarHBondContact O-CB 3.39Å; M16-L20 PolarHBondContact O-N 3.02Å; N17-L20 PolarHBondContact O-N 2.91Å; S18-L20 PolarHBondContact O-N 2.87Å; L20-R24 WeakPolarHBondContact O-CB 3.49Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.47Å; L20-R24 PolarHBondContact O-N 3.46Å
21F90.6Very high90.5Very high119 Ų11998.3 Ų98.352%0.52249%0.486SS..Hα-helixtrans-60.8-47.4172.4170.8-99.6000111.1N17 S18 K19 R24 R25N17-F21 WeakPolarHBondContact O-CB 3.34Å; N17-F21 PolarHBondContact O-N 2.94Å; S18-F21 WeakPolarHBondContact O-CB 3.3Å; S18-F21 PolarHBondContact O-N 2.94Å; K19-F21 VanDerWaalsContact C-N 3.35Å; K19-F21 PolarHBondContact O-N 2.99Å; F21-R24 PolarHBondContact O-N 3.2Å; F21-R25 VanDerWaalsContact O-CB 3.26Å; F21-R25 WeakPolarHBondContact O-CB 3.25Å; F21-R25 PolarHBondContact O-N 3.46Å
22D92.2Very high91.2Very high54 Ų5495.5 Ų95.529%0.28947%0.469SS..Hα-helixtrans-64-42.4178.2-84.8-43.7000112.6S18 K19 R24 R25 Q26S18-D22 PolarHBondContact O-N 3.3Å; K19-D22 PolarHBondContact O-N 3.15Å; D22-R24 VanDerWaalsContact C-N 3.34Å; D22-R24 PolarHBondContact O-N 3.43Å; D22-R25 PolarHBondContact O-N 3.33Å; D22-R25 IonicContact OD1-CZ 3.44Å; D22-R25 IonicContact OD1-NE 3.19Å; D22-R25 PolarHBondContact OD1-NE 3.4Å; D22-R25 IonicContact OD1-NH2 2.81Å; D22-R25 PolarHBondContact OD1-NH2 3.32Å; D22-Q26 WeakPolarHBondContact O-CB 3.34Å; D22-Q26 VanDerWaalsContact O-CG 3.27Å; D22-Q26 WeakPolarHBondContact O-CG 3.36Å; D22-Q26 PolarHBondContact O-N 3.26Å
23E91.5Very high91.7Very high92 Ų9289.6 Ų89.643%0.4345%0.448SS..Hα-helixtrans-58.6-45.7174.9-73.3174.8-170.100111.4K19 Q26 L27K19-E23 VanDerWaalsContact CE-OE1 3.28Å; K19-E23 WeakPolarHBondContact CE-OE1 3.4Å; K19-E23 WeakPolarHBondContact O-CG 3.33Å; K19-E23 PolarHBondContact O-N 3.23Å; E23-Q26 PolarHBondContact O-N 3.38Å; E23-L27 WeakPolarHBondContact O-CB 3.38Å; E23-L27 PolarHBondContact O-N 3.34Å
24R91.1Very high92.1Very high86 Ų8689.8 Ų89.833%0.32546%0.46SS..Hα-helixtrans-68.2-39.9178-74.5175.6171.3168.61.5112.5S6 W8 T9 L20 F21 D22 L27 L28S6-R24 PolarHBondContact O-NH2 2.93Å; W8-R24 PolarHBondContact O-NH2 3.42Å; T9-R24 PolarHBondContact OG1-NH1 3.28Å; L20-R24 WeakPolarHBondContact O-CB 3.49Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.47Å; L20-R24 PolarHBondContact O-N 3.46Å; F21-R24 PolarHBondContact O-N 3.2Å; D22-R24 VanDerWaalsContact C-N 3.34Å; D22-R24 PolarHBondContact O-N 3.43Å; R24-L27 PolarHBondContact O-N 2.85Å; R24-L28 WeakPolarHBondContact O-CB 3.22Å; R24-L28 PolarHBondContact O-N 2.96Å
25R93.3Very high92.6Very high137 Ų13788.3 Ų88.352%0.51744%0.441SS..Hα-helixtrans-61-44.6175.9-178.7177.766.8104.8-3.7111.1F21 D22 L28 A29F21-R25 VanDerWaalsContact O-CB 3.26Å; F21-R25 WeakPolarHBondContact O-CB 3.25Å; F21-R25 PolarHBondContact O-N 3.46Å; D22-R25 PolarHBondContact O-N 3.33Å; D22-R25 IonicContact OD1-CZ 3.44Å; D22-R25 IonicContact OD1-NE 3.19Å; D22-R25 PolarHBondContact OD1-NE 3.4Å; D22-R25 IonicContact OD1-NH2 2.81Å; D22-R25 PolarHBondContact OD1-NH2 3.32Å; R25-L28 PolarHBondContact O-N 3.11Å; R25-A29 PolarHBondContact O-N 3.27Å
26Q93.9Very high93.2Very high109 Ų10984.2 Ų84.251%0.50942%0.424SS..Hα-helixtrans-64.9-40.4176.2-71.3174.729.600112D22 E23 A29 K30D22-Q26 WeakPolarHBondContact O-CB 3.34Å; D22-Q26 VanDerWaalsContact O-CG 3.27Å; D22-Q26 WeakPolarHBondContact O-CG 3.36Å; D22-Q26 PolarHBondContact O-N 3.26Å; E23-Q26 PolarHBondContact O-N 3.38Å; Q26-A29 PolarHBondContact O-N 2.66Å; Q26-K30 WeakPolarHBondContact O-CG 3.43Å; Q26-K30 PolarHBondContact O-N 2.96Å; Q26-K30 VanDerWaalsContact O-N 3.09Å
27L93.6Very high93.8Very high75 Ų7584.4 Ų84.439%0.39343%0.427SS..Hα-helixtrans-63.5-44.8176.2-176.860.8000111.8E23 R24 A29 K30 W31E23-L27 WeakPolarHBondContact O-CB 3.38Å; E23-L27 PolarHBondContact O-N 3.34Å; R24-L27 PolarHBondContact O-N 2.85Å; L27-A29 VanDerWaalsContact C-N 3.3Å; L27-A29 PolarHBondContact O-N 3.22Å; L27-K30 WeakPolarHBondContact O-CB 3.24Å; L27-K30 PolarHBondContact O-N 3.29Å; L27-K30 VanDerWaalsContact O-N 3.16Å; L27-W31 HydrophobicContact CD1-CD2 4.5Å; L27-W31 HydrophobicContact CD1-CZ2 4Å; L27-W31 HydrophobicContact CD2-CH2 3.72Å; L27-W31 HydrophobicContact CD2-CZ2 3.49Å; L27-W31 VanDerWaalsContact CD2-CZ2 3.49Å; L27-W31 HydrophobicContact CD2-CZ3 4.48Å; L27-W31 HydrophobicContact CG-CD2 4.12Å; L27-W31 HydrophobicContact CG-CE3 4.49Å; L27-W31 HydrophobicContact CG-CH2 4.03Å; L27-W31 HydrophobicContact CG-CZ2 3.61Å; L27-W31 HydrophobicContact CG-CZ3 4.45Å; L27-W31 PolarHBondContact O-N 3.47Å
28L94.3Very high94.1Very high65 Ų6585.9 Ų85.934%0.3444%0.441SS..Hα-helixtrans-59.5-41.3175.4-177.365.7000111.5R24 R25 K30 W31 F32 W35 F47R24-L28 WeakPolarHBondContact O-CB 3.22Å; R24-L28 PolarHBondContact O-N 2.96Å; R25-L28 PolarHBondContact O-N 3.11Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.01Å; L28-W31 HydrophobicContact CD1-CE3 4.35Å; L28-W31 PolarHBondContact O-N 3.45Å; L28-F32 WeakPolarHBondContact O-CB 3.48Å; L28-F32 PolarHBondContact O-N 3.28Å; L28-W35 HydrophobicContact CD1-CH2 4.09Å; L28-F47 HydrophobicContact CD2-CE2 4.34Å; L28-F47 HydrophobicContact CD2-CZ 4.31Å
29A94.5Very high94.5Very high64 Ų6487.3 Ų87.353%0.52944%0.44SS..Hα-helixtrans-61.8-40.9176.100000112.3R25 Q26 L27 F32 G33R25-A29 PolarHBondContact O-N 3.27Å; Q26-A29 PolarHBondContact O-N 2.66Å; L27-A29 VanDerWaalsContact C-N 3.3Å; L27-A29 PolarHBondContact O-N 3.22Å; A29-F32 PolarHBondContact O-N 3.45Å; A29-G33 PolarHBondContact O-N 3.23Å
30K95.5Very high94.9Very high150 Ų15084.3 Ų84.365%0.65243%0.425SS*.Hα-helixtrans-62.3-46.7174.3-69.9176.3-178.2-179.90111.5Q26 L27 L28 G33 S34Q26-K30 WeakPolarHBondContact O-CG 3.43Å; Q26-K30 PolarHBondContact O-N 2.96Å; Q26-K30 VanDerWaalsContact O-N 3.09Å; L27-K30 WeakPolarHBondContact O-CB 3.24Å; L27-K30 PolarHBondContact O-N 3.29Å; L27-K30 VanDerWaalsContact O-N 3.16Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.01Å; K30-G33 PolarHBondContact O-N 2.82Å; K30-S34 PolarHBondContact O-N 3.03Å; K30-S34 VanDerWaalsContact O-N 3.15Å
31W96.4Very high95.2Very high128 Ų12889.5 Ų89.549%0.48545%0.447SS..Hα-helixtrans-61.3-46.4176.9-67.1-21.1000112.1L27 L28 G33 S34 W35L27-W31 HydrophobicContact CD1-CD2 4.5Å; L27-W31 HydrophobicContact CD1-CZ2 4Å; L27-W31 HydrophobicContact CD2-CH2 3.72Å; L27-W31 HydrophobicContact CD2-CZ2 3.49Å; L27-W31 VanDerWaalsContact CD2-CZ2 3.49Å; L27-W31 HydrophobicContact CD2-CZ3 4.48Å; L27-W31 HydrophobicContact CG-CD2 4.12Å; L27-W31 HydrophobicContact CG-CE3 4.49Å; L27-W31 HydrophobicContact CG-CH2 4.03Å; L27-W31 HydrophobicContact CG-CZ2 3.61Å; L27-W31 HydrophobicContact CG-CZ3 4.45Å; L27-W31 PolarHBondContact O-N 3.47Å; L28-W31 HydrophobicContact CD1-CE3 4.35Å; L28-W31 PolarHBondContact O-N 3.45Å; W31-G33 PolarHBondContact O-N 3.25Å; W31-S34 PolarHBondContact O-N 3.49Å; W31-S34 PolarHBondContact O-OG 3.09Å; W31-W35 HydrophobicContact CB-CH2 4.13Å; W31-W35 HydrophobicContact CB-CZ2 3.6Å; W31-W35 HydrophobicContact CG-CZ2 4.41Å; W31-W35 PolarHBondContact O-N 3.05Å; W31-W35 VanDerWaalsContact O-N 3.08Å
32F96.4Very high95.5Very high72 Ų7287.5 Ų87.532%0.31644%0.444SS..Hα-helixtrans-55.7-42.2176.2-168.6-92.9000111.5L28 A29 S34 W35 R40 L44L28-F32 WeakPolarHBondContact O-CB 3.48Å; L28-F32 PolarHBondContact O-N 3.28Å; A29-F32 PolarHBondContact O-N 3.45Å; F32-S34 VanDerWaalsContact C-N 3.32Å; F32-S34 PolarHBondContact O-N 3.5Å; F32-W35 HydrophobicContact CB-CE3 4.35Å; F32-W35 HydrophobicContact CB-CZ3 4.47Å; F32-W35 HydrophobicContact CD2-CE3 4.07Å; F32-W35 HydrophobicContact CD2-CZ3 4.16Å; F32-W35 PolarHBondContact O-N 3.04Å; F32-R40 HydrophobicContact CD1-CG 4.35Å; F32-R40 HydrophobicContact CD2-CB 4.44Å; F32-R40 HydrophobicContact CD2-CG 4.03Å; F32-R40 HydrophobicContact CE1-CG 4.04Å; F32-R40 HydrophobicContact CE2-CB 3.69Å; F32-R40 HydrophobicContact CE2-CG 3.7Å; F32-R40 HydrophobicContact CG-CG 4.34Å; F32-R40 HydrophobicContact CZ-CB 3.73Å; F32-R40 HydrophobicContact CZ-CG 3.71Å; F32-R40 PolarHBondContact O-NE 3.22Å; F32-R40 PolarHBondContact O-NH2 3.42Å; F32-L44 HydrophobicContact CE2-CD1 4.26Å; F32-L44 HydrophobicContact CE2-CD2 4.32Å; F32-L44 HydrophobicContact CE2-CG 4.08Å; F32-L44 HydrophobicContact CZ-CD1 4.1Å; F32-L44 HydrophobicContact CZ-CG 4.4Å
33G95.5Very high95.7Very high47 Ų4786.5 Ų86.549%0.48544%0.44SS..Hα-helixtrans-61.1-34.8174.100000114.2A29 K30 W31 R40A29-G33 PolarHBondContact O-N 3.23Å; K30-G33 PolarHBondContact O-N 2.82Å; W31-G33 PolarHBondContact O-N 3.25Å; G33-R40 PolarHBondContact O-NH2 3.32Å
34S96.6Very high96Very high92 Ų9286.3 Ų86.364%0.64344%0.442SS*.Hα-helixtrans-82.7-16179.166.10000115.1K30 W31 F32K30-S34 PolarHBondContact O-N 3.03Å; K30-S34 VanDerWaalsContact O-N 3.15Å; W31-S34 PolarHBondContact O-N 3.49Å; W31-S34 PolarHBondContact O-OG 3.09Å; F32-S34 VanDerWaalsContact C-N 3.32Å; F32-S34 PolarHBondContact O-N 3.5Å
35W97.9Very high96.3Very high68 Ų6888.1 Ų88.126%0.25845%0.454SS..SBendtrans-79.7152.7-178.2-65.1-23.2000113L28 W31 F32 Q39 R40 V43L28-W35 HydrophobicContact CD1-CH2 4.09Å; W31-W35 HydrophobicContact CB-CH2 4.13Å; W31-W35 HydrophobicContact CB-CZ2 3.6Å; W31-W35 HydrophobicContact CG-CZ2 4.41Å; W31-W35 PolarHBondContact O-N 3.05Å; W31-W35 VanDerWaalsContact O-N 3.08Å; F32-W35 HydrophobicContact CB-CE3 4.35Å; F32-W35 HydrophobicContact CB-CZ3 4.47Å; F32-W35 HydrophobicContact CD2-CE3 4.07Å; F32-W35 HydrophobicContact CD2-CZ3 4.16Å; F32-W35 PolarHBondContact O-N 3.04Å; W35-Q39 HydrophobicContact CB-CB 3.95Å; W35-Q39 HydrophobicContact CG-CB 4.39Å; W35-R40 HydrophobicContact CB-CG 4.07Å; W35-R40 PolarHBondContact O-NE 3.43Å; W35-R40 VanDerWaalsContact O-NE 3.13Å; W35-R40 PolarHBondContact O-NH2 2.92Å; W35-V43 HydrophobicContact CE3-CG2 4.36Å; W35-V43 HydrophobicContact CH2-CG2 4.3Å; W35-V43 HydrophobicContact CZ3-CB 4.16Å; W35-V43 HydrophobicContact CZ3-CG1 4.02Å; W35-V43 HydrophobicContact CZ3-CG2 3.87Å
36S98Very high96.4Very high54 Ų5485.1 Ų85.138%0.37845%0.448SS..  trans-67.3161.617063.30000112.1S38 Q39 R40S36-S38 VanDerWaalsContact C-N 3.31Å; S36-S38 PolarHBondContact O-N 3.45Å; S36-S38 PolarHBondContact OG-OG 2.86Å; S36-Q39 PolarHBondContact O-N 3.11Å; S36-Q39 VanDerWaalsContact OG-CD 3.23Å; S36-Q39 VanDerWaalsContact OG-CG 3.29Å; S36-Q39 WeakPolarHBondContact OG-CG 3.49Å; S36-Q39 PolarHBondContact OG-OE1 2.81Å; S36-R40 WeakPolarHBondContact O-CG 3.46Å; S36-R40 PolarHBondContact O-N 3.09Å
37D97.4Very high96.5Very high95 Ų9584.9 Ų84.951%0.50845%0.445SS..Hα-helixtrans-59.4-39.2-179.9-178.567.4000112.9R40 K41D37-R40 PolarHBondContact O-N 2.72Å; D37-K41 WeakPolarHBondContact O-CB 3.37Å; D37-K41 WeakPolarHBondContact O-CG 3.3Å; D37-K41 PolarHBondContact O-N 2.98Å; D37-K41 IonicContact OD1-NZ 2.81Å; D37-K41 WeakPolarHBondContact OD2-CE 3.45Å; D37-K41 IonicContact OD2-NZ 2.82Å; D37-K41 PolarHBondContact OD2-NZ 3.06Å
38S97.7Very high96.7Very high73 Ų7384.6 Ų84.651%0.5145%0.447SS..Hα-helixtrans-63-47.3175.7570000111.6S36 R40 K41 T42S36-S38 VanDerWaalsContact C-N 3.31Å; S36-S38 PolarHBondContact O-N 3.45Å; S36-S38 PolarHBondContact OG-OG 2.86Å; S38-R40 VanDerWaalsContact C-N 3.35Å; S38-R40 PolarHBondContact O-N 2.83Å; S38-K41 PolarHBondContact O-N 2.99Å; S38-T42 PolarHBondContact O-N 3.41Å; S38-T42 PolarHBondContact O-OG1 3.27Å
39Q97.7Very high96.8Very high98 Ų9887.6 Ų87.646%0.45846%0.462SS..Hα-helixtrans-61-42.1176.9-72.9167.5-36.600112.1W35 S36 T42 V43W35-Q39 HydrophobicContact CB-CB 3.95Å; W35-Q39 HydrophobicContact CG-CB 4.39Å; S36-Q39 PolarHBondContact O-N 3.11Å; S36-Q39 VanDerWaalsContact OG-CD 3.23Å; S36-Q39 VanDerWaalsContact OG-CG 3.29Å; S36-Q39 WeakPolarHBondContact OG-CG 3.49Å; S36-Q39 PolarHBondContact OG-OE1 2.81Å; Q39-T42 PolarHBondContact O-N 3.04Å; Q39-V43 WeakPolarHBondContact O-CG2 3.37Å; Q39-V43 PolarHBondContact O-N 2.94Å
40R97.8Very high96.9Very high78 Ų7894.2 Ų94.229%0.29447%0.473SS..Hα-helixtrans-59.7-46.9174.9-71.2175.4-176.6176.15111.2F32 G33 W35 S36 D37 S38 V43 L44F32-R40 HydrophobicContact CD1-CG 4.35Å; F32-R40 HydrophobicContact CD2-CB 4.44Å; F32-R40 HydrophobicContact CD2-CG 4.03Å; F32-R40 HydrophobicContact CE1-CG 4.04Å; F32-R40 HydrophobicContact CE2-CB 3.69Å; F32-R40 HydrophobicContact CE2-CG 3.7Å; F32-R40 HydrophobicContact CG-CG 4.34Å; F32-R40 HydrophobicContact CZ-CB 3.73Å; F32-R40 HydrophobicContact CZ-CG 3.71Å; F32-R40 PolarHBondContact O-NE 3.22Å; F32-R40 PolarHBondContact O-NH2 3.42Å; G33-R40 PolarHBondContact O-NH2 3.32Å; W35-R40 HydrophobicContact CB-CG 4.07Å; W35-R40 PolarHBondContact O-NE 3.43Å; W35-R40 VanDerWaalsContact O-NE 3.13Å; W35-R40 PolarHBondContact O-NH2 2.92Å; S36-R40 WeakPolarHBondContact O-CG 3.46Å; S36-R40 PolarHBondContact O-N 3.09Å; D37-R40 PolarHBondContact O-N 2.72Å; S38-R40 VanDerWaalsContact C-N 3.35Å; S38-R40 PolarHBondContact O-N 2.83Å; R40-V43 PolarHBondContact O-N 3.33Å; R40-L44 WeakPolarHBondContact O-CB 3.31Å; R40-L44 VanDerWaalsContact O-CG 3.23Å; R40-L44 WeakPolarHBondContact O-CG 3.45Å; R40-L44 PolarHBondContact O-N 3.11Å
41K97.1Very high97Very high124 Ų12488.9 Ų88.954%0.53945%0.454SS..Hα-helixtrans-61.4-45.3177.8-75.2169.6175.7167.70111.9D37 S38 L44 Q45D37-K41 WeakPolarHBondContact O-CB 3.37Å; D37-K41 WeakPolarHBondContact O-CG 3.3Å; D37-K41 PolarHBondContact O-N 2.98Å; D37-K41 IonicContact OD1-NZ 2.81Å; D37-K41 WeakPolarHBondContact OD2-CE 3.45Å; D37-K41 IonicContact OD2-NZ 2.82Å; D37-K41 PolarHBondContact OD2-NZ 3.06Å; S38-K41 PolarHBondContact O-N 2.99Å; K41-L44 PolarHBondContact O-N 3.25Å; K41-Q45 WeakPolarHBondContact O-CB 3.44Å; K41-Q45 PolarHBondContact O-N 3.29Å
42T97.8Very high97Very high76 Ų7685.2 Ų85.247%0.46645%0.449SS..Hα-helixtrans-58.4-50.7177.1-56.80000111.5S38 Q39 L44 Q45 D46S38-T42 PolarHBondContact O-N 3.41Å; S38-T42 PolarHBondContact O-OG1 3.27Å; Q39-T42 PolarHBondContact O-N 3.04Å; T42-L44 VanDerWaalsContact C-N 3.35Å; T42-L44 PolarHBondContact O-N 2.91Å; T42-Q45 WeakPolarHBondContact O-CB 3.22Å; T42-Q45 PolarHBondContact O-N 2.88Å; T42-D46 PolarHBondContact O-N 3.44Å
43V96.6Very high97Very high34 Ų3485.8 Ų85.821%0.20646%0.457CS..Hα-helixtrans-65.6-38-179.1173.70000111.9W35 Q39 R40 Q45 D46 F47W35-V43 HydrophobicContact CE3-CG2 4.36Å; W35-V43 HydrophobicContact CH2-CG2 4.3Å; W35-V43 HydrophobicContact CZ3-CB 4.16Å; W35-V43 HydrophobicContact CZ3-CG1 4.02Å; W35-V43 HydrophobicContact CZ3-CG2 3.87Å; Q39-V43 WeakPolarHBondContact O-CG2 3.37Å; Q39-V43 PolarHBondContact O-N 2.94Å; R40-V43 PolarHBondContact O-N 3.33Å; V43-Q45 VanDerWaalsContact C-N 3.34Å; V43-D46 PolarHBondContact O-N 3.33Å; V43-F47 HydrophobicContact CG1-CD2 4.06Å; V43-F47 HydrophobicContact CG1-CE2 3.57Å; V43-F47 HydrophobicContact CG1-CZ 3.85Å; V43-F47 WeakPolarHBondContact O-CG 3.35Å; V43-F47 PolarHBondContact O-N 3.44Å
44L96.4Very high97.1Very high88 Ų8889.5 Ų89.546%0.46146%0.462SS..Hα-helixtrans-61.9-42.7174-73.8172.4000111.5F32 R40 K41 T42 F47 V48F32-L44 HydrophobicContact CE2-CD1 4.26Å; F32-L44 HydrophobicContact CE2-CD2 4.32Å; F32-L44 HydrophobicContact CE2-CG 4.08Å; F32-L44 HydrophobicContact CZ-CD1 4.1Å; F32-L44 HydrophobicContact CZ-CG 4.4Å; R40-L44 WeakPolarHBondContact O-CB 3.31Å; R40-L44 VanDerWaalsContact O-CG 3.23Å; R40-L44 WeakPolarHBondContact O-CG 3.45Å; R40-L44 PolarHBondContact O-N 3.11Å; K41-L44 PolarHBondContact O-N 3.25Å; T42-L44 VanDerWaalsContact C-N 3.35Å; T42-L44 PolarHBondContact O-N 2.91Å; L44-F47 PolarHBondContact O-N 3.36Å; L44-V48 VanDerWaalsContact O-CG2 3.29Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 3.2Å
45Q96.9Very high97.1Very high124 Ų12489.9 Ų89.958%0.57945%0.454SS*.Hα-helixtrans-61.6-44.7175.8-175.3175.52.300111.3K41 T42 V43 F47 V48 L49K41-Q45 WeakPolarHBondContact O-CB 3.44Å; K41-Q45 PolarHBondContact O-N 3.29Å; T42-Q45 WeakPolarHBondContact O-CB 3.22Å; T42-Q45 PolarHBondContact O-N 2.88Å; V43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-F47 VanDerWaalsContact C-N 3.3Å; Q45-F47 PolarHBondContact O-N 3.45Å; Q45-V48 PolarHBondContact O-N 3.24Å; Q45-L49 HydrophobicContact CG-CD1 4.22Å; Q45-L49 WeakPolarHBondContact O-CG 3.36Å; Q45-L49 PolarHBondContact O-N 3.02Å
46D96.8Very high97.1Very high73 Ų7389.9 Ų89.939%0.3946%0.459SS..Hα-helixtrans-60.5-38.2177.2-71.6-19.3000112.6T42 V43 R50T42-D46 PolarHBondContact O-N 3.44Å; V43-D46 PolarHBondContact O-N 3.33Å; D46-R50 WeakPolarHBondContact O-CD 3.34Å; D46-R50 VanDerWaalsContact O-CG 3.31Å; D46-R50 WeakPolarHBondContact O-CG 3.24Å; D46-R50 PolarHBondContact O-N 2.99Å
47F96.2Very high96.9Very high105 Ų10595.3 Ų95.346%0.46147%0.471SS..Hα-helixtrans-68.5-44.5174.7-70.5-30.4000112.3L28 V43 L44 Q45 L49 R50 C51L28-F47 HydrophobicContact CD2-CE2 4.34Å; L28-F47 HydrophobicContact CD2-CZ 4.31Å; V43-F47 HydrophobicContact CG1-CD2 4.06Å; V43-F47 HydrophobicContact CG1-CE2 3.57Å; V43-F47 HydrophobicContact CG1-CZ 3.85Å; V43-F47 WeakPolarHBondContact O-CG 3.35Å; V43-F47 PolarHBondContact O-N 3.44Å; L44-F47 PolarHBondContact O-N 3.36Å; Q45-F47 VanDerWaalsContact C-N 3.3Å; Q45-F47 PolarHBondContact O-N 3.45Å; F47-L49 VanDerWaalsContact C-N 3.29Å; F47-L49 PolarHBondContact O-N 2.9Å; F47-R50 PolarHBondContact O-N 3.23Å; F47-R50 VanDerWaalsContact O-N 3.08Å; F47-C51 PolarHBondContact O-N 3.29Å; F47-C51 PolarHBondContact O-SG 3.26Å
48V96.9Very high96.8Very high69 Ų6997.4 Ų97.442%0.41848%0.476SS..Hα-helixtrans-58.8-42177.51700000110.9L44 Q45 R50 C51 L56 L59L44-V48 VanDerWaalsContact O-CG2 3.29Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 3.2Å; Q45-V48 PolarHBondContact O-N 3.24Å; V48-R50 PolarHBondContact O-N 2.94Å; V48-C51 WeakPolarHBondContact O-CB 3.48Å; V48-C51 PolarHBondContact O-N 2.94Å; V48-L56 HydrophobicContact CG1-CD2 3.72Å; V48-L59 HydrophobicContact CG2-CD1 4.24Å
49L97.1Very high96.6Very high127 Ų12796.9 Ų96.967%0.66547%0.467SS*.Hα-helixtrans-65-21.7178.2-71.8172.4000113.9Q45 F47Q45-L49 HydrophobicContact CG-CD1 4.22Å; Q45-L49 WeakPolarHBondContact O-CG 3.36Å; Q45-L49 PolarHBondContact O-N 3.02Å; F47-L49 VanDerWaalsContact C-N 3.29Å; F47-L49 PolarHBondContact O-N 2.9Å
50R96.6Very high96.3Very high204 Ų20495.5 Ų95.577%0.7747%0.468SS*.THydrogen-bonded Turntrans-96-5.1179.1-66.4171.7-174-84.9-0.1113.1D46 F47 V48D46-R50 WeakPolarHBondContact O-CD 3.34Å; D46-R50 VanDerWaalsContact O-CG 3.31Å; D46-R50 WeakPolarHBondContact O-CG 3.24Å; D46-R50 PolarHBondContact O-N 2.99Å; F47-R50 PolarHBondContact O-N 3.23Å; F47-R50 VanDerWaalsContact O-N 3.08Å; V48-R50 PolarHBondContact O-N 2.94Å
51C97.1Very high95.9Very high37 Ų3796.2 Ų96.225%0.2548%0.477CS..  trans-77.3144-179.7-74.30000112.4F47 V48 Q55 L56F47-C51 PolarHBondContact O-N 3.29Å; F47-C51 PolarHBondContact O-SG 3.26Å; V48-C51 WeakPolarHBondContact O-CB 3.48Å; V48-C51 PolarHBondContact O-N 2.94Å; C51-Q55 HydrophobicContact CB-CB 3.83Å; C51-L56 HydrophobicContact CB-CD2 3.76Å; C51-L56 HydrophobicContact CB-CG 3.83Å
52S97.5Very high95.6Very high52 Ų5292.9 Ų92.936%0.36447%0.467SS..  trans-68.8165.9163.457.10000111.9E54 Q55 L56S52-E54 VanDerWaalsContact C-N 3.27Å; S52-E54 PolarHBondContact O-N 2.79Å; S52-Q55 PolarHBondContact O-N 3.2Å; S52-Q55 VanDerWaalsContact O-N 3.14Å; S52-Q55 VanDerWaalsContact OG-CG 3.26Å; S52-Q55 WeakPolarHBondContact OG-CG 3.38Å; S52-Q55 PolarHBondContact OG-N 3.1Å; S52-Q55 PolarHBondContact OG-OE1 3.04Å; S52-L56 WeakPolarHBondContact O-CG 3.34Å; S52-L56 PolarHBondContact O-N 3.32Å
53V96.1Very high95.2Very high83 Ų8393.1 Ų93.150%0.50347%0.469SS..Hα-helixtrans-58.3-40.1178.3178.20000111.5L56 R57V53-L56 PolarHBondContact O-N 3.19Å; V53-R57 WeakPolarHBondContact O-CG 3.49Å; V53-R57 PolarHBondContact O-N 3.45Å
54E97.4Very high94.5Very high125 Ų12593.1 Ų93.158%0.58447%0.47SS*.Hα-helixtrans-63.5-43.3177.2-68.266.5-144.700111.4S52 R57 F58S52-E54 VanDerWaalsContact C-N 3.27Å; S52-E54 PolarHBondContact O-N 2.79Å; E54-R57 PolarHBondContact O-N 2.97Å; E54-F58 PolarHBondContact O-N 3.02Å
55Q97.1Very high93.8Very high101 Ų10198 Ų9847%0.47248%0.482SS..Hα-helixtrans-67.2-38.2176.6-71.6165.5-28.500111.8C51 S52 F58 L59C51-Q55 HydrophobicContact CB-CB 3.83Å; S52-Q55 PolarHBondContact O-N 3.2Å; S52-Q55 VanDerWaalsContact O-N 3.14Å; S52-Q55 VanDerWaalsContact OG-CG 3.26Å; S52-Q55 WeakPolarHBondContact OG-CG 3.38Å; S52-Q55 PolarHBondContact OG-N 3.1Å; S52-Q55 PolarHBondContact OG-OE1 3.04Å; Q55-F58 WeakPolarHBondContact O-CB 3.5Å; Q55-F58 PolarHBondContact O-N 3.31Å; Q55-L59 WeakPolarHBondContact O-CG 3.3Å; Q55-L59 PolarHBondContact O-N 3Å
56L96.2Very high93.1Very high68 Ų68102.6 Ų102.636%0.35649%0.494SS..Hα-helixtrans-64.4-40.3174.5-70.1175.2000112.1V48 C51 S52 V53 F58 L59 S60V48-L56 HydrophobicContact CG1-CD2 3.72Å; C51-L56 HydrophobicContact CB-CD2 3.76Å; C51-L56 HydrophobicContact CB-CG 3.83Å; S52-L56 WeakPolarHBondContact O-CG 3.34Å; S52-L56 PolarHBondContact O-N 3.32Å; V53-L56 PolarHBondContact O-N 3.19Å; L56-F58 VanDerWaalsContact C-N 3.35Å; L56-L59 HydrophobicContact CD2-CD1 4.41Å; L56-L59 PolarHBondContact O-N 3.1Å; L56-S60 WeakPolarHBondContact O-CB 3.4Å; L56-S60 PolarHBondContact O-N 3.45Å
57R94.7Very high92.1Very high167 Ų167103.3 Ų103.363%0.6350%0.498SS*.Hα-helixtrans-61.5-43.9172.7-74.3176.3179.9151.60.6111.6V53 E54 S60 L61V53-R57 WeakPolarHBondContact O-CG 3.49Å; V53-R57 PolarHBondContact O-N 3.45Å; E54-R57 PolarHBondContact O-N 2.97Å; R57-S60 PolarHBondContact O-N 3.34Å; R57-L61 PolarHBondContact O-N 2.91Å
58F95.5Very high90.4Very high139 Ų139103.6 Ų103.661%0.6151%0.51SS*.Hα-helixtrans-60.2-44.3175173-94.8000111.9E54 Q55 L56 L61 T62E54-F58 PolarHBondContact O-N 3.02Å; Q55-F58 WeakPolarHBondContact O-CB 3.5Å; Q55-F58 PolarHBondContact O-N 3.31Å; L56-F58 VanDerWaalsContact C-N 3.35Å; F58-L61 PolarHBondContact O-N 3.46Å; F58-T62 WeakPolarHBondContact O-CB 3.41Å; F58-T62 PolarHBondContact O-N 3.2Å; F58-T62 PolarHBondContact O-OG1 3.08Å
59L94.1Very high88.5Confident63 Ų63106.8 Ų106.833%0.3352%0.524SS..Hα-helixtrans-61.6-46.8175.7-75.5173.4000111.6V48 Q55 L56 L61 T62 V63V48-L59 HydrophobicContact CG2-CD1 4.24Å; Q55-L59 WeakPolarHBondContact O-CG 3.3Å; Q55-L59 PolarHBondContact O-N 3Å; L56-L59 HydrophobicContact CD2-CD1 4.41Å; L56-L59 PolarHBondContact O-N 3.1Å; L59-L61 PolarHBondContact O-N 3.48Å; L59-T62 PolarHBondContact O-N 2.63Å; L59-V63 WeakPolarHBondContact O-CB 3.42Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 3.22Å
60S90.3Very high86.4Confident69 Ų69107.3 Ų107.348%0.48352%0.523SS..Hα-helixtrans-55.4-50.6176.5173.60000111.5L56 R57 T62 V63 S64L56-S60 WeakPolarHBondContact O-CB 3.4Å; L56-S60 PolarHBondContact O-N 3.45Å; R57-S60 PolarHBondContact O-N 3.34Å; S60-T62 VanDerWaalsContact C-N 3.31Å; S60-T62 PolarHBondContact O-N 3.48Å; S60-V63 PolarHBondContact O-N 2.91Å; S60-S64 WeakPolarHBondContact O-CB 3.48Å; S60-S64 PolarHBondContact O-N 3.32Å; S60-S64 PolarHBondContact O-OG 3.45Å; S60-S64 VanDerWaalsContact O-OG 3.04Å
61L89.9Confident84.6Confident92 Ų92101.9 Ų101.948%0.48252%0.522SS..Hα-helixtrans-61.2-41.1178.2-175.468.4000112.2R57 F58 L59 R65R57-L61 PolarHBondContact O-N 2.91Å; F58-L61 PolarHBondContact O-N 3.46Å; L59-L61 PolarHBondContact O-N 3.48Å; L61-R65 WeakPolarHBondContact O-CG 3.12Å; L61-R65 PolarHBondContact O-N 3.1Å; L61-R65 VanDerWaalsContact O-N 3.16Å
62T90.4Very high83.1Confident55 Ų55103.1 Ų103.134%0.33754%0.535SS..Hα-helixtrans-66.6-43.6-179.3-58.10000111.4F58 L59 S60 R65 R66F58-T62 WeakPolarHBondContact O-CB 3.41Å; F58-T62 PolarHBondContact O-N 3.2Å; F58-T62 PolarHBondContact O-OG1 3.08Å; L59-T62 PolarHBondContact O-N 2.63Å; S60-T62 VanDerWaalsContact C-N 3.31Å; S60-T62 PolarHBondContact O-N 3.48Å; T62-R65 PolarHBondContact O-N 3.45Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 2.94Å
63V89.1Confident82.3Confident81 Ų81102.7 Ų102.749%0.49153%0.528SS..Hα-helixtrans-65.5-47.8176.3172.60000110.3L59 S60 R65 R66 L67L59-V63 WeakPolarHBondContact O-CB 3.42Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 3.22Å; S60-V63 PolarHBondContact O-N 2.91Å; V63-R65 PolarHBondContact O-N 2.99Å; V63-R65 VanDerWaalsContact O-N 3.17Å; V63-R66 PolarHBondContact O-N 3.31Å; V63-L67 HydrophobicContact CG1-CB 4.4Å; V63-L67 WeakPolarHBondContact O-CB 3.49Å; V63-L67 PolarHBondContact O-N 3.24Å
64S82.3Confident81.8Confident33 Ų33101.8 Ų101.823%0.23152%0.518CS..Hα-helixtrans-58.8-30.1179.3-63.80000113.6S60 L67 Q70S60-S64 WeakPolarHBondContact O-CB 3.48Å; S60-S64 PolarHBondContact O-N 3.32Å; S60-S64 PolarHBondContact O-OG 3.45Å; S60-S64 VanDerWaalsContact O-OG 3.04Å; S64-L67 CarbonylContact O-C 3.57Å; S64-Q70 VanDerWaalsContact CB-OE1 3.31Å; S64-Q70 PolarHBondContact OG-OE1 2.84Å
65R82.5Confident81.4Confident192 Ų19296.1 Ų96.173%0.72549%0.491SS*.Hα-helixtrans-73.8-33.2173.7-73.9176.6-177.2-175.21.2113.4L61 T62 V63L61-R65 WeakPolarHBondContact O-CG 3.12Å; L61-R65 PolarHBondContact O-N 3.1Å; L61-R65 VanDerWaalsContact O-N 3.16Å; T62-R65 PolarHBondContact O-N 3.45Å; V63-R65 PolarHBondContact O-N 2.99Å; V63-R65 VanDerWaalsContact O-N 3.17Å
66R81.3Confident80.9Confident220 Ų22095.6 Ų95.683%0.8350%0.498SS*.Hα-helixtrans-86.6-30.8-178.2-71.2-66.4-170.3163.60.6112.6T62 V63T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 2.94Å; V63-R66 PolarHBondContact O-N 3.31Å
67L76.3Confident80.5Confident88 Ų8898.3 Ų98.346%0.46151%0.512SS..SBendtrans-126.695.4-176.6-179.354.8000105.9V63 S64 L69V63-L67 HydrophobicContact CG1-CB 4.4Å; V63-L67 WeakPolarHBondContact O-CB 3.49Å; V63-L67 PolarHBondContact O-N 3.24Å; S64-L67 CarbonylContact O-C 3.57Å; L67-L69 HydrophobicContact CD1-CD1 4Å; L67-L69 HydrophobicContact CD1-CG 3.82Å; L67-L69 HydrophobicContact CD2-CD1 3.35Å; L67-L69 HydrophobicContact CD2-CG 4.04Å; L67-L69 HydrophobicContact CG-CB 4.35Å; L67-L69 HydrophobicContact CG-CD1 3.49Å; L67-L69 VanDerWaalsContact CG-CD1 3.49Å; L67-L69 HydrophobicContact CG-CG 3.55Å; L67-L69 PolarHBondContact O-N 2.95Å
68P59.7Low80.2Confident111 Ų11193.6 Ų93.672%0.72150%0.499SS*.  trans-73.651.6-177.431.7-35.3000111.1Q70P68-Q70 PolarHBondContact O-N 3.48Å
69L57.3Low79.9Confident135 Ų13591 Ų9171%0.70750%0.496SS*.THydrogen-bonded Turntrans-74.6-3169.1-72.5174.6000111.9L67L67-L69 HydrophobicContact CD1-CD1 4Å; L67-L69 HydrophobicContact CD1-CG 3.82Å; L67-L69 HydrophobicContact CD2-CD1 3.35Å; L67-L69 HydrophobicContact CD2-CG 4.04Å; L67-L69 HydrophobicContact CG-CB 4.35Å; L67-L69 HydrophobicContact CG-CD1 3.49Å; L67-L69 VanDerWaalsContact CG-CD1 3.49Å; L67-L69 HydrophobicContact CG-CG 3.55Å; L67-L69 PolarHBondContact O-N 2.95Å
70Q53.1Low79.7Confident139 Ų13994 Ų9465%0.6550%0.503SS*.THydrogen-bonded Turntrans-113.933.9-173.6-147.7175.812.100113.6S64 P68 A72S64-Q70 VanDerWaalsContact CB-OE1 3.31Å; S64-Q70 PolarHBondContact OG-OE1 2.84Å; P68-Q70 PolarHBondContact O-N 3.48Å; Q70-A72 VanDerWaalsContact C-N 3.33Å
71A58Low79.7Confident90 Ų9093.2 Ų93.274%0.74450%0.501SS*.  trans-105.457146.500000107.4D73A71-D73 PolarHBondContact O-N 3.49Å
72A65.7Low79.7Confident63 Ų6392.2 Ų92.252%0.52150%0.495SS..  trans-57.4117.7174.600000107.2Q70 F74 L77Q70-A72 VanDerWaalsContact C-N 3.33Å; A72-F74 PolarHBondContact O-N 2.84Å; A72-L77 HydrophobicContact CB-CD1 3.75Å
73D81.3Confident79.8Confident43 Ų4389.6 Ų89.623%0.2348%0.48CS..  trans-61.6108179.4-174.6-14.5000107.7A71 T75 C76 L77 W105A71-D73 PolarHBondContact O-N 3.49Å; D73-T75 PolarHBondContact O-N 3.14Å; D73-T75 WeakPolarHBondContact OD1-CB 3.39Å; D73-T75 PolarHBondContact OD1-N 3.49Å; D73-T75 PolarHBondContact OD1-OG1 3.1Å; D73-T75 PolarHBondContact OD2-OG1 2.87Å; D73-C76 HydrophobicContact CB-CB 4.41Å; D73-C76 WeakPolarHBondContact O-CB 3.43Å; D73-C76 PolarHBondContact O-N 3.01Å; D73-L77 PolarHBondContact O-N 3.41Å; D73-W105 PolarHBondContact OD1-NE1 3.09Å; D73-W105 VanDerWaalsContact OD2-CD1 3.3Å; D73-W105 PolarHBondContact OD2-NE1 3.41Å
74F86.3Confident80Confident63 Ų6386 Ų8628%0.27646%0.458SS..Hα-helixtrans-58.4-25-177.372.1-94.6000111.4A72 C76 L77 L78 L86 F87 W105A72-F74 PolarHBondContact O-N 2.84Å; F74-C76 PolarHBondContact O-N 3.42Å; F74-L77 PolarHBondContact O-N 3.27Å; F74-L77 VanDerWaalsContact O-N 3.16Å; F74-L78 HydrophobicContact CB-CD1 4.37Å; F74-L78 HydrophobicContact CD2-CD1 4.07Å; F74-L78 WeakPolarHBondContact O-CB 3.35Å; F74-L78 WeakPolarHBondContact O-CG 3.25Å; F74-L78 PolarHBondContact O-N 2.95Å; F74-L86 HydrophobicContact CD2-CD1 3.98Å; F74-L86 HydrophobicContact CE2-CD1 3.9Å; F74-F87 HydrophobicContact CE2-CE2 4.34Å; F74-F87 HydrophobicContact CE2-CZ 4.27Å; F74-F87 AromaticContact CZ-CE1 3.97Å; F74-F87 HydrophobicContact CZ-CE1 3.97Å; F74-F87 HydrophobicContact CZ-CE2 4.16Å; F74-F87 AromaticContact CZ-CZ 3.64Å; F74-F87 HydrophobicContact CZ-CZ 3.64Å; F74-W105 HydrophobicContact CD1-CH2 4.47Å; F74-W105 HydrophobicContact CD1-CZ2 4.07Å; F74-W105 AromaticContact CE1-CH2 3.58Å; F74-W105 HydrophobicContact CE1-CH2 3.58Å; F74-W105 AromaticContact CE1-CZ2 3.47Å; F74-W105 HydrophobicContact CE1-CZ2 3.47Å; F74-W105 VanDerWaalsContact CE1-CZ2 3.47Å; F74-W105 HydrophobicContact CZ-CH2 4.22Å; F74-W105 HydrophobicContact CZ-CZ2 4.15Å
75T89.1Confident80.4Confident6 Ų687.3 Ų87.34%0.03746%0.458CS..Hα-helixtrans-68.4-24.7177.966.60000112.7D73 C83 F87 H104 W105 I108D73-T75 PolarHBondContact O-N 3.14Å; D73-T75 WeakPolarHBondContact OD1-CB 3.39Å; D73-T75 PolarHBondContact OD1-N 3.49Å; D73-T75 PolarHBondContact OD1-OG1 3.1Å; D73-T75 PolarHBondContact OD2-OG1 2.87Å; T75-C83 HydrophobicContact CG2-CB 4.41Å; T75-F87 HydrophobicContact CG2-CE2 3.68Å; T75-F87 HydrophobicContact CG2-CZ 3.77Å; T75-H104 PolarHBondContact OG1-CD2 3.22Å; T75-W105 HydrophobicContact CG2-CD2 4.46Å; T75-W105 HydrophobicContact CG2-CZ2 4.32Å; T75-W105 PolarHBondContact OG1-NE1 2.67Å; T75-W105 VanDerWaalsContact OG1-NE1 3.13Å; T75-I108 HydrophobicContact CG2-CD1 4.17Å
76C86Confident80.9Confident90 Ų9081.9 Ų81.961%0.60844%0.443SS*.Hα-helixtrans-84.6-18.9173.8-61.40000113.1D73 F74D73-C76 HydrophobicContact CB-CB 4.41Å; D73-C76 WeakPolarHBondContact O-CB 3.43Å; D73-C76 PolarHBondContact O-N 3.01Å; F74-C76 PolarHBondContact O-N 3.42Å
77L86.9Confident81.5Confident126 Ų12671.6 Ų71.666%0.6640%0.404SS*.Hα-helixtrans-98.3-31.8-177.6-62.1-179.1000113A72 D73 F74A72-L77 HydrophobicContact CB-CD1 3.75Å; D73-L77 PolarHBondContact O-N 3.41Å; F74-L77 PolarHBondContact O-N 3.27Å; F74-L77 VanDerWaalsContact O-N 3.16Å
78L88.4Confident82.2Confident67 Ų6768.3 Ų68.335%0.35139%0.388SS..SBendtrans-97.5147.8-176.2-64.1178.3000111.5F74 R80 L82 C83 L86F74-L78 HydrophobicContact CB-CD1 4.37Å; F74-L78 HydrophobicContact CD2-CD1 4.07Å; F74-L78 WeakPolarHBondContact O-CB 3.35Å; F74-L78 WeakPolarHBondContact O-CG 3.25Å; F74-L78 PolarHBondContact O-N 2.95Å; L78-R80 PolarHBondContact O-N 3.23Å; L78-L82 HydrophobicContact CB-CB 4.39Å; L78-L82 HydrophobicContact CD2-CD1 4.48Å; L78-C83 PolarHBondContact O-SG 3.28Å; L78-L86 HydrophobicContact CD1-CD1 3.81Å
79P90.3Very high83.6Confident85 Ų8569.4 Ų69.455%0.55238%0.382SS*.  trans-54.4139.6167.4-25.333.1000111.8A81 L82 C83P79-A81 PolarHBondContact O-N 2.88Å; P79-L82 WeakPolarHBondContact O-CB 3.5Å; P79-L82 PolarHBondContact O-N 3.49Å; P79-C83 PolarHBondContact O-N 3.5Å; P79-C83 PolarHBondContact O-SG 3.03Å
80R89.9Confident85.1Confident127 Ų12765.7 Ų65.748%0.47936%0.362SS..Hα-helixtrans-47.6-37.2-178.5-176.8-179.4176.4-88.819.2114L78 L82 C83 L84 L111 Q113L78-R80 PolarHBondContact O-N 3.23Å; R80-L82 VanDerWaalsContact C-N 3.33Å; R80-L82 PolarHBondContact O-N 3.35Å; R80-C83 PolarHBondContact O-N 3.44Å; R80-L84 HydrophobicContact CG-CD1 4.3Å; R80-L84 VanDerWaalsContact NH1-CD1 3.34Å; R80-L84 WeakPolarHBondContact O-CB 3.25Å; R80-L84 WeakPolarHBondContact O-CG 3.37Å; R80-L84 PolarHBondContact O-N 3.42Å; R80-L111 VanDerWaalsContact NH2-CD2 3.29Å; R80-Q113 VanDerWaalsContact NH1-OE1 3.09Å
81A89.8Confident86.8Confident52 Ų5260.4 Ų60.443%0.4334%0.339SS..Hα-helixtrans-61.8-37.7177.900000113P79 Y85 P326P79-A81 PolarHBondContact O-N 2.88Å; A81-Y85 WeakPolarHBondContact O-CB 3.33Å; A81-Y85 PolarHBondContact O-N 2.91Å; A81-Y85 VanDerWaalsContact O-N 3.08Å; A81-P326 HydrophobicContact CB-CG 4.17Å
82L90Very high88.3Confident70 Ų7056.5 Ų56.537%0.36631%0.306SS..Hα-helixtrans-74.2-38.3175.6-64.3-176.3000111.4L78 P79 R80 L84 Y85 L86 P326L78-L82 HydrophobicContact CB-CB 4.39Å; L78-L82 HydrophobicContact CD2-CD1 4.48Å; P79-L82 WeakPolarHBondContact O-CB 3.5Å; P79-L82 PolarHBondContact O-N 3.49Å; R80-L82 VanDerWaalsContact C-N 3.33Å; R80-L82 PolarHBondContact O-N 3.35Å; L82-L84 VanDerWaalsContact C-N 3.33Å; L82-L84 PolarHBondContact O-N 3.17Å; L82-Y85 WeakPolarHBondContact O-CB 3.36Å; L82-Y85 PolarHBondContact O-N 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.18Å; L82-L86 PolarHBondContact O-N 3.05Å; L82-P326 HydrophobicContact CD2-CG 4.33Å
83C92.9Very high89.3Confident1 Ų159.8 Ų59.81%0.00731%0.305CS..Hα-helixtrans-58.6-47174.4-53.20000111.1T75 L78 P79 R80 Y85 L86 F87 I108T75-C83 HydrophobicContact CG2-CB 4.41Å; L78-C83 PolarHBondContact O-SG 3.28Å; P79-C83 PolarHBondContact O-N 3.5Å; P79-C83 PolarHBondContact O-SG 3.03Å; R80-C83 PolarHBondContact O-N 3.44Å; C83-Y85 VanDerWaalsContact C-N 3.35Å; C83-Y85 PolarHBondContact O-N 3.14Å; C83-L86 PolarHBondContact O-N 2.87Å; C83-F87 HydrophobicContact CB-CE2 4.48Å; C83-F87 WeakPolarHBondContact O-CD2 3.16Å; C83-F87 PolarHBondContact O-N 3.2Å; C83-I108 HydrophobicContact CB-CD1 4.43Å
84L92.4Very high89.7Confident5 Ų558.7 Ų58.73%0.02630%0.3CS..Hα-helixtrans-59.5-43.9174.6-82172.2000112.3R80 L82 L86 F87 S88 I108 L111 L114 A322R80-L84 HydrophobicContact CG-CD1 4.3Å; R80-L84 VanDerWaalsContact NH1-CD1 3.34Å; R80-L84 WeakPolarHBondContact O-CB 3.25Å; R80-L84 WeakPolarHBondContact O-CG 3.37Å; R80-L84 PolarHBondContact O-N 3.42Å; L82-L84 VanDerWaalsContact C-N 3.33Å; L82-L84 PolarHBondContact O-N 3.17Å; L84-L86 PolarHBondContact O-N 3.27Å; L84-F87 PolarHBondContact O-N 3.45Å; L84-S88 PolarHBondContact O-N 3.21Å; L84-I108 HydrophobicContact CD2-CG2 3.83Å; L84-I108 HydrophobicContact CG-CG2 4.09Å; L84-L111 HydrophobicContact CD1-CD1 4.2Å; L84-L111 HydrophobicContact CD2-CB 4.32Å; L84-L111 HydrophobicContact CD2-CD1 3.8Å; L84-L111 HydrophobicContact CG-CD1 4.37Å; L84-L114 HydrophobicContact CD2-CD1 3.87Å; L84-L114 HydrophobicContact CD2-CD2 4.21Å; L84-L114 HydrophobicContact CD2-CG 3.79Å; L84-L114 WeakPolarHBondContact O-CD2 3.45Å; L84-A322 HydrophobicContact CB-CB 4.05Å
85Y91.8Very high90Very high61 Ų6155.7 Ų55.724%0.23929%0.287CS..Hα-helixtrans-59.2-46.2176179.7-108000111.9A81 L82 C83 S88 F89 A322 G323 R325A81-Y85 WeakPolarHBondContact O-CB 3.33Å; A81-Y85 PolarHBondContact O-N 2.91Å; A81-Y85 VanDerWaalsContact O-N 3.08Å; L82-Y85 WeakPolarHBondContact O-CB 3.36Å; L82-Y85 PolarHBondContact O-N 3.4Å; C83-Y85 VanDerWaalsContact C-N 3.35Å; C83-Y85 PolarHBondContact O-N 3.14Å; Y85-S88 WeakPolarHBondContact O-CB 3.42Å; Y85-S88 PolarHBondContact O-N 3.15Å; Y85-S88 PolarHBondContact O-OG 2.82Å; Y85-F89 AromaticContact CD1-CE2 3.95Å; Y85-F89 HydrophobicContact CD1-CE2 3.95Å; Y85-F89 HydrophobicContact CD2-CE2 4.3Å; Y85-F89 HydrophobicContact CD2-CZ 4.49Å; Y85-F89 AromaticContact CE1-CE2 3.64Å; Y85-F89 HydrophobicContact CE1-CE2 3.64Å; Y85-F89 AromaticContact CE1-CZ 3.92Å; Y85-F89 HydrophobicContact CE1-CZ 3.92Å; Y85-F89 AromaticContact CE2-CE2 4Å; Y85-F89 HydrophobicContact CE2-CE2 4Å; Y85-F89 AromaticContact CE2-CZ 3.79Å; Y85-F89 HydrophobicContact CE2-CZ 3.79Å; Y85-F89 HydrophobicContact CG-CE2 4.28Å; Y85-F89 AromaticContact CZ-CE2 3.67Å; Y85-F89 AromaticContact CZ-CZ 3.48Å; Y85-F89 VanDerWaalsContact CZ-CZ 3.48Å; Y85-F89 WeakPolarHBondContact O-CD2 3.37Å; Y85-F89 VanDerWaalsContact O-CE2 3.25Å; Y85-F89 WeakPolarHBondContact O-CE2 3.47Å; Y85-A322 VanDerWaalsContact CA-O 3.3Å; Y85-A322 WeakPolarHBondContact CA-O 3.47Å; Y85-A322 WeakPolarHBondContact CD2-O 3.12Å; Y85-G323 WeakPolarHBondContact CE2-O 3.4Å; Y85-R325 HydrophobicContact CE2-CB 4.02Å
86L92.1Very high90.1Very high78 Ų7857.8 Ų57.841%0.40830%0.301SS..Hα-helixtrans-62-45.3176.1-67.1171.8000112.3F74 L78 L82 C83 L84 S88 F89F74-L86 HydrophobicContact CD2-CD1 3.98Å; F74-L86 HydrophobicContact CE2-CD1 3.9Å; L78-L86 HydrophobicContact CD1-CD1 3.81Å; L82-L86 WeakPolarHBondContact O-CG 3.18Å; L82-L86 PolarHBondContact O-N 3.05Å; C83-L86 PolarHBondContact O-N 2.87Å; L84-L86 PolarHBondContact O-N 3.27Å; L86-S88 PolarHBondContact O-N 3.47Å; L86-F89 PolarHBondContact O-N 2.81Å
87F93.8Very high90.3Very high4 Ų457.1 Ų57.12%0.01829%0.286CS..Hα-helixtrans-66.4-25.2177.5-74.3-53.3000113F74 T75 C83 L84 F89 L90 L95 C98 W105 I108 V109 L114F74-F87 HydrophobicContact CE2-CE2 4.34Å; F74-F87 HydrophobicContact CE2-CZ 4.27Å; F74-F87 AromaticContact CZ-CE1 3.97Å; F74-F87 HydrophobicContact CZ-CE1 3.97Å; F74-F87 HydrophobicContact CZ-CE2 4.16Å; F74-F87 AromaticContact CZ-CZ 3.64Å; F74-F87 HydrophobicContact CZ-CZ 3.64Å; T75-F87 HydrophobicContact CG2-CE2 3.68Å; T75-F87 HydrophobicContact CG2-CZ 3.77Å; C83-F87 HydrophobicContact CB-CE2 4.48Å; C83-F87 WeakPolarHBondContact O-CD2 3.16Å; C83-F87 PolarHBondContact O-N 3.2Å; L84-F87 PolarHBondContact O-N 3.45Å; F87-F89 PolarHBondContact O-N 3.33Å; F87-L90 HydrophobicContact CD1-CD1 3.81Å; F87-L90 HydrophobicContact CE1-CD1 4.41Å; F87-L90 WeakPolarHBondContact O-CB 3.38Å; F87-L90 PolarHBondContact O-N 2.93Å; F87-L95 HydrophobicContact CB-CD2 3.96Å; F87-L95 HydrophobicContact CD1-CD2 4.31Å; F87-L95 HydrophobicContact CG-CD2 4.46Å; F87-L95 WeakPolarHBondContact O-CD2 3.25Å; F87-C98 HydrophobicContact CE1-CB 4.05Å; F87-W105 HydrophobicContact CE1-CD2 4.5Å; F87-W105 AromaticContact CE1-CE3 3.91Å; F87-W105 HydrophobicContact CE1-CE3 3.91Å; F87-W105 HydrophobicContact CE1-CH2 4.47Å; F87-W105 AromaticContact CE1-CZ3 3.88Å; F87-W105 HydrophobicContact CE1-CZ3 3.88Å; F87-W105 AromaticContact CZ-CD2 3.9Å; F87-W105 HydrophobicContact CZ-CD2 3.9Å; F87-W105 AromaticContact CZ-CE3 3.76Å; F87-W105 HydrophobicContact CZ-CE3 3.76Å; F87-W105 HydrophobicContact CZ-CG 4.45Å; F87-W105 HydrophobicContact CZ-CH2 4.42Å; F87-W105 HydrophobicContact CZ-CZ3 4.04Å; F87-I108 HydrophobicContact CD2-CG2 3.69Å; F87-I108 HydrophobicContact CE2-CB 4.36Å; F87-I108 HydrophobicContact CE2-CG2 3.89Å; F87-V109 HydrophobicContact CB-CG1 4.48Å; F87-V109 HydrophobicContact CD1-CG1 3.8Å; F87-V109 HydrophobicContact CD2-CG1 3.94Å; F87-V109 HydrophobicContact CE1-CG1 3.91Å; F87-V109 HydrophobicContact CE2-CG1 4.04Å; F87-V109 HydrophobicContact CG-CG1 3.83Å; F87-V109 HydrophobicContact CZ-CG1 4.03Å; F87-L114 HydrophobicContact CB-CD1 4.11Å; F87-L114 HydrophobicContact CB-CD2 3.88Å
88S91.4Very high90.7Very high18 Ų1851.8 Ų51.813%0.12626%0.259CS..Hα-helixtrans-60.5-30.3-17978.60000113.4L84 Y85 L86 L90 K118 G323L84-S88 PolarHBondContact O-N 3.21Å; Y85-S88 WeakPolarHBondContact O-CB 3.42Å; Y85-S88 PolarHBondContact O-N 3.15Å; Y85-S88 PolarHBondContact O-OG 2.82Å; L86-S88 PolarHBondContact O-N 3.47Å; S88-L90 VanDerWaalsContact C-N 3.27Å; S88-L90 PolarHBondContact O-N 3.29Å; S88-K118 PolarHBondContact O-NZ 2.7Å; S88-G323 WeakPolarHBondContact OG-CA 3.45Å
89F89Confident90.9Very high135 Ų13549.4 Ų49.459%0.59225%0.249SC*.THydrogen-bonded Turntrans-74.1-13.5178-62.4-71.7000114Y85 L86 F87Y85-F89 AromaticContact CD1-CE2 3.95Å; Y85-F89 HydrophobicContact CD1-CE2 3.95Å; Y85-F89 HydrophobicContact CD2-CE2 4.3Å; Y85-F89 HydrophobicContact CD2-CZ 4.49Å; Y85-F89 AromaticContact CE1-CE2 3.64Å; Y85-F89 HydrophobicContact CE1-CE2 3.64Å; Y85-F89 AromaticContact CE1-CZ 3.92Å; Y85-F89 HydrophobicContact CE1-CZ 3.92Å; Y85-F89 AromaticContact CE2-CE2 4Å; Y85-F89 HydrophobicContact CE2-CE2 4Å; Y85-F89 AromaticContact CE2-CZ 3.79Å; Y85-F89 HydrophobicContact CE2-CZ 3.79Å; Y85-F89 HydrophobicContact CG-CE2 4.28Å; Y85-F89 AromaticContact CZ-CE2 3.67Å; Y85-F89 AromaticContact CZ-CZ 3.48Å; Y85-F89 VanDerWaalsContact CZ-CZ 3.48Å; Y85-F89 WeakPolarHBondContact O-CD2 3.37Å; Y85-F89 VanDerWaalsContact O-CE2 3.25Å; Y85-F89 WeakPolarHBondContact O-CE2 3.47Å; L86-F89 PolarHBondContact O-N 2.81Å; F87-F89 PolarHBondContact O-N 3.33Å
90L90.1Very high91.1Very high56 Ų5652.7 Ų52.729%0.29326%0.257SS..SBendtrans-82.4143.8-179.9-60.1-173.4000111.2F87 S88 L95 C98 K118F87-L90 HydrophobicContact CD1-CD1 3.81Å; F87-L90 HydrophobicContact CE1-CD1 4.41Å; F87-L90 WeakPolarHBondContact O-CB 3.38Å; F87-L90 PolarHBondContact O-N 2.93Å; S88-L90 VanDerWaalsContact C-N 3.27Å; S88-L90 PolarHBondContact O-N 3.29Å; L90-L95 HydrophobicContact CB-CD2 3.99Å; L90-L95 HydrophobicContact CB-CG 4.02Å; L90-L95 HydrophobicContact CD1-CD2 4.32Å; L90-C98 WeakPolarHBondContact CD1-SG 3.45Å; L90-K118 WeakPolarHBondContact O-CE 3.44Å; L90-K118 PolarHBondContact O-NZ 2.7Å
91D87.6Confident91.1Very high29 Ų2950.9 Ų50.916%0.15526%0.26CS..  trans-67156.4170.966.5-70.5000111.3R93 S94 L95 N228D91-R93 PolarHBondContact O-N 2.9Å; D91-R93 VanDerWaalsContact O-N 3.1Å; D91-R93 WeakPolarHBondContact OD2-CA 3.47Å; D91-R93 VanDerWaalsContact OD2-CB 3.22Å; D91-R93 WeakPolarHBondContact OD2-CB 3.44Å; D91-R93 PolarHBondContact OD2-N 3.16Å; D91-R93 VanDerWaalsContact OD2-N 3.13Å; D91-S94 PolarHBondContact O-N 3.42Å; D91-S94 WeakPolarHBondContact OD1-CB 3.3Å; D91-S94 PolarHBondContact OD1-OG 2.89Å; D91-S94 PolarHBondContact OD2-N 3.47Å; D91-L95 PolarHBondContact O-N 3.04Å; D91-N228 HydrophobicContact CB-CB 4.33Å; D91-N228 WeakPolarHBondContact CB-ND2 3.34Å
92P89.7Confident91.2Very high7 Ų750.3 Ų50.35%0.04525%0.253CS..Hα-helixtrans-50-35.7177.9-32.839.1000114.8C96 W115 K118 Y142P92-C96 PolarHBondContact O-N 3.01Å; P92-C96 PolarHBondContact O-SG 3.06Å; P92-W115 HydrophobicContact CB-CH2 3.99Å; P92-W115 HydrophobicContact CB-CZ3 3.81Å; P92-W115 HydrophobicContact CG-CZ3 4.38Å; P92-K118 HydrophobicContact CG-CD 4.04Å; P92-Y142 HydrophobicContact CB-CE1 3.89Å; P92-Y142 HydrophobicContact CG-CE1 3.99Å; P92-Y142 HydrophobicContact CG-CE2 4.18Å; P92-Y142 WeakPolarHBondContact CG-OH 3.32Å
93R87Confident91.4Very high132 Ų13257 Ų5750%0.49827%0.274SS..Hα-helixtrans-72.9-42.3179.5-171.7178.7-173.1165.4-0.7111D91 L95 C96 R97D91-R93 PolarHBondContact O-N 2.9Å; D91-R93 VanDerWaalsContact O-N 3.1Å; D91-R93 WeakPolarHBondContact OD2-CA 3.47Å; D91-R93 VanDerWaalsContact OD2-CB 3.22Å; D91-R93 WeakPolarHBondContact OD2-CB 3.44Å; D91-R93 PolarHBondContact OD2-N 3.16Å; D91-R93 VanDerWaalsContact OD2-N 3.13Å; R93-L95 VanDerWaalsContact C-N 3.33Å; R93-C96 PolarHBondContact O-N 3.37Å; R93-R97 PolarHBondContact O-N 3.45Å; R93-R97 VanDerWaalsContact O-N 3.12Å
94S90.3Very high91.4Very high20 Ų2060.9 Ų60.914%0.1429%0.291CS..Hα-helixtrans-64-37.7173.5-65.50000112.2D91 C96 R97 C98D91-S94 PolarHBondContact O-N 3.42Å; D91-S94 WeakPolarHBondContact OD1-CB 3.3Å; D91-S94 PolarHBondContact OD1-OG 2.89Å; D91-S94 PolarHBondContact OD2-N 3.47Å; S94-C96 VanDerWaalsContact C-N 3.35Å; S94-C96 PolarHBondContact O-N 3.47Å; S94-R97 WeakPolarHBondContact O-CB 3.32Å; S94-R97 PolarHBondContact O-N 3.47Å; S94-R97 VanDerWaalsContact O-N 3.13Å; S94-C98 PolarHBondContact O-N 2.93Å; S94-C98 PolarHBondContact O-SG 3.37Å
95L92.3Very high91.5Very high1 Ų162.3 Ų62.31%0.00530%0.296CS..Hα-helixtrans-60.1-42.5171.6-72.7177.6000112.4F87 L90 D91 R93 R97 C98 A99 V109 L114 W115 K118F87-L95 HydrophobicContact CB-CD2 3.96Å; F87-L95 HydrophobicContact CD1-CD2 4.31Å; F87-L95 HydrophobicContact CG-CD2 4.46Å; F87-L95 WeakPolarHBondContact O-CD2 3.25Å; L90-L95 HydrophobicContact CB-CD2 3.99Å; L90-L95 HydrophobicContact CB-CG 4.02Å; L90-L95 HydrophobicContact CD1-CD2 4.32Å; D91-L95 PolarHBondContact O-N 3.04Å; R93-L95 VanDerWaalsContact C-N 3.33Å; L95-R97 VanDerWaalsContact C-N 3.26Å; L95-R97 PolarHBondContact O-N 3.46Å; L95-C98 WeakPolarHBondContact O-CB 3.38Å; L95-C98 PolarHBondContact O-N 3.38Å; L95-A99 PolarHBondContact O-N 2.79Å; L95-V109 HydrophobicContact CD2-CB 4.16Å; L95-V109 HydrophobicContact CD2-CG1 3.97Å; L95-L114 HydrophobicContact CD2-CD1 4.38Å; L95-W115 HydrophobicContact CB-CZ2 4.09Å; L95-W115 HydrophobicContact CD1-CZ2 4.21Å; L95-K118 HydrophobicContact CD1-CD 4.24Å
96C90.6Very high91.6Very high49 Ų4962.6 Ų62.633%0.33130%0.299SS..Hα-helixtrans-63.9-29.1174.9-72.40000113.4P92 R93 S94 Q100P92-C96 PolarHBondContact O-N 3.01Å; P92-C96 PolarHBondContact O-SG 3.06Å; R93-C96 PolarHBondContact O-N 3.37Å; S94-C96 VanDerWaalsContact C-N 3.35Å; S94-C96 PolarHBondContact O-N 3.47Å; C96-Q100 PolarHBondContact O-NE2 3.3Å
97R91.1Very high91.6Very high76 Ų7661.9 Ų61.929%0.28730%0.3SS..Hα-helixtrans-75.7-39.5171.7-66.6-179.6-174.1-145.92.3111.6R93 S94 L95 A99 Q100 R226R93-R97 PolarHBondContact O-N 3.45Å; R93-R97 VanDerWaalsContact O-N 3.12Å; S94-R97 WeakPolarHBondContact O-CB 3.32Å; S94-R97 PolarHBondContact O-N 3.47Å; S94-R97 VanDerWaalsContact O-N 3.13Å; L95-R97 VanDerWaalsContact C-N 3.26Å; L95-R97 PolarHBondContact O-N 3.46Å; R97-A99 PolarHBondContact O-N 2.89Å; R97-Q100 WeakPolarHBondContact O-CB 3.3Å; R97-Q100 PolarHBondContact O-N 2.76Å; R97-R226 VanDerWaalsContact NH1-CZ 3.28Å
98C93.6Very high91.6Very high14 Ų1461.8 Ų61.810%0.09530%0.3CS..Hα-helixtrans-57.3-38.3174.5-68.40000111.4F87 L90 S94 L95 Q100 V101 W105 V109F87-C98 HydrophobicContact CE1-CB 4.05Å; L90-C98 WeakPolarHBondContact CD1-SG 3.45Å; S94-C98 PolarHBondContact O-N 2.93Å; S94-C98 PolarHBondContact O-SG 3.37Å; L95-C98 WeakPolarHBondContact O-CB 3.38Å; L95-C98 PolarHBondContact O-N 3.38Å; C98-Q100 PolarHBondContact O-N 3.48Å; C98-V101 WeakPolarHBondContact O-CB 3.1Å; C98-V101 PolarHBondContact O-N 2.94Å; C98-V101 VanDerWaalsContact O-N 3.09Å; C98-W105 HydrophobicContact CB-CE3 3.68Å; C98-W105 HydrophobicContact CB-CZ3 4.03Å; C98-W105 WeakPolarHBondContact O-CB 3.49Å; C98-V109 HydrophobicContact CB-CG1 3.86Å
99A93.8Very high91.8Very high17 Ų1761 Ų6114%0.1430%0.295CS..THydrogen-bonded Turntrans-59.6-18174.600000114.5L95 R97 K106 V109L95-A99 PolarHBondContact O-N 2.79Å; R97-A99 PolarHBondContact O-N 2.89Å; A99-K106 HydrophobicContact CB-CB 4.34Å; A99-K106 HydrophobicContact CB-CG 4.21Å; A99-V109 HydrophobicContact CB-CG2 3.61Å
100Q93.2Very high92Very high155 Ų15557.5 Ų57.572%0.72428%0.28SS*.THydrogen-bonded Turntrans-93.4-6.2-179.4-61.7167.451.900112.8C96 R97 C98C96-Q100 PolarHBondContact O-NE2 3.3Å; R97-Q100 WeakPolarHBondContact O-CB 3.3Å; R97-Q100 PolarHBondContact O-N 2.76Å; C98-Q100 PolarHBondContact O-N 3.48Å
101V90.9Very high92.1Very high89 Ų8955.8 Ų55.854%0.53927%0.271SS..THydrogen-bonded Turntrans-74-47.6-178.6175.80000111.2C98 W105C98-V101 WeakPolarHBondContact O-CB 3.1Å; C98-V101 PolarHBondContact O-N 2.94Å; C98-V101 VanDerWaalsContact O-N 3.09Å; V101-W105 HydrophobicContact CB-CB 4.4Å; V101-W105 HydrophobicContact CB-CD2 3.8Å; V101-W105 HydrophobicContact CB-CE3 3.7Å; V101-W105 HydrophobicContact CB-CG 4.12Å; V101-W105 HydrophobicContact CB-CZ3 4.27Å; V101-W105 HydrophobicContact CG1-CD2 3.84Å; V101-W105 HydrophobicContact CG1-CE3 4.05Å; V101-W105 HydrophobicContact CG1-CG 4.25Å; V101-W105 HydrophobicContact CG1-CZ2 4.32Å; V101-W105 HydrophobicContact CG1-CZ3 4.39Å; V101-W105 HydrophobicContact CG2-CD2 4.3Å; V101-W105 HydrophobicContact CG2-CE3 3.68Å; V101-W105 HydrophobicContact CG2-CZ3 3.86Å
102S91.8Very high92.2Very high40 Ų4055.5 Ų55.528%0.2827%0.27SS..  trans-159.2162.3176.773.80000111.2H104 W105 K106S102-H104 PolarHBondContact O-N 3.35Å; S102-H104 PolarHBondContact OG-N 3.35Å; S102-W105 PolarHBondContact O-N 3.02Å; S102-W105 PolarHBondContact OG-N 2.91Å; S102-K106 PolarHBondContact O-N 3.18Å
103W93.2Very high92.2Very high211 Ų21157.1 Ų57.180%0.79928%0.276SS*.Hα-helixtrans-58.8-34.3172-70110.7000112.4K106 S107W103-K106 HydrophobicContact CE3-CD 4.04Å; W103-K106 HydrophobicContact CZ3-CD 4.01Å; W103-K106 PolarHBondContact O-N 3.21Å; W103-S107 PolarHBondContact O-N 3.27Å
104H92.8Very high92.5Very high81 Ų8151 Ų5138%0.37525%0.253SS..Hα-helixtrans-65.7-47.5176.2-176.153.5000111.2T75 S102 K106 S107 I108T75-H104 PolarHBondContact OG1-CD2 3.22Å; S102-H104 PolarHBondContact O-N 3.35Å; S102-H104 PolarHBondContact OG-N 3.35Å; H104-K106 VanDerWaalsContact C-N 3.33Å; H104-K106 PolarHBondContact O-N 3.23Å; H104-S107 PolarHBondContact O-N 2.85Å; H104-S107 PolarHBondContact O-OG 3.33Å; H104-I108 PolarHBondContact O-N 3.07Å
105W94.9Very high92.5Very high35 Ų3550.2 Ų50.213%0.13325%0.247CC..Hα-helixtrans-58.9-46.8175.1-79.741000111.1D73 F74 T75 F87 C98 V101 S102 S107 I108 V109D73-W105 PolarHBondContact OD1-NE1 3.09Å; D73-W105 VanDerWaalsContact OD2-CD1 3.3Å; D73-W105 PolarHBondContact OD2-NE1 3.41Å; F74-W105 HydrophobicContact CD1-CH2 4.47Å; F74-W105 HydrophobicContact CD1-CZ2 4.07Å; F74-W105 AromaticContact CE1-CH2 3.58Å; F74-W105 HydrophobicContact CE1-CH2 3.58Å; F74-W105 AromaticContact CE1-CZ2 3.47Å; F74-W105 HydrophobicContact CE1-CZ2 3.47Å; F74-W105 VanDerWaalsContact CE1-CZ2 3.47Å; F74-W105 HydrophobicContact CZ-CH2 4.22Å; F74-W105 HydrophobicContact CZ-CZ2 4.15Å; T75-W105 HydrophobicContact CG2-CD2 4.46Å; T75-W105 HydrophobicContact CG2-CZ2 4.32Å; T75-W105 PolarHBondContact OG1-NE1 2.67Å; T75-W105 VanDerWaalsContact OG1-NE1 3.13Å; F87-W105 HydrophobicContact CE1-CD2 4.5Å; F87-W105 AromaticContact CE1-CE3 3.91Å; F87-W105 HydrophobicContact CE1-CE3 3.91Å; F87-W105 HydrophobicContact CE1-CH2 4.47Å; F87-W105 AromaticContact CE1-CZ3 3.88Å; F87-W105 HydrophobicContact CE1-CZ3 3.88Å; F87-W105 AromaticContact CZ-CD2 3.9Å; F87-W105 HydrophobicContact CZ-CD2 3.9Å; F87-W105 AromaticContact CZ-CE3 3.76Å; F87-W105 HydrophobicContact CZ-CE3 3.76Å; F87-W105 HydrophobicContact CZ-CG 4.45Å; F87-W105 HydrophobicContact CZ-CH2 4.42Å; F87-W105 HydrophobicContact CZ-CZ3 4.04Å; C98-W105 HydrophobicContact CB-CE3 3.68Å; C98-W105 HydrophobicContact CB-CZ3 4.03Å; C98-W105 WeakPolarHBondContact O-CB 3.49Å; V101-W105 HydrophobicContact CB-CB 4.4Å; V101-W105 HydrophobicContact CB-CD2 3.8Å; V101-W105 HydrophobicContact CB-CE3 3.7Å; V101-W105 HydrophobicContact CB-CG 4.12Å; V101-W105 HydrophobicContact CB-CZ3 4.27Å; V101-W105 HydrophobicContact CG1-CD2 3.84Å; V101-W105 HydrophobicContact CG1-CE3 4.05Å; V101-W105 HydrophobicContact CG1-CG 4.25Å; V101-W105 HydrophobicContact CG1-CZ2 4.32Å; V101-W105 HydrophobicContact CG1-CZ3 4.39Å; V101-W105 HydrophobicContact CG2-CD2 4.3Å; V101-W105 HydrophobicContact CG2-CE3 3.68Å; V101-W105 HydrophobicContact CG2-CZ3 3.86Å; S102-W105 PolarHBondContact O-N 3.02Å; S102-W105 PolarHBondContact OG-N 2.91Å; W105-S107 VanDerWaalsContact C-N 3.31Å; W105-S107 PolarHBondContact O-N 3.18Å; W105-I108 PolarHBondContact O-N 2.98Å; W105-V109 WeakPolarHBondContact O-CG2 3.46Å; W105-V109 PolarHBondContact O-N 3.17Å
106K94Very high92.4Very high68 Ų6850.3 Ų50.330%0.29625%0.248SC..Hα-helixtrans-52.2-49.4175.5-173.4173.7178.9-179.20111.6A99 S102 W103 H104 I108 V109 E110A99-K106 HydrophobicContact CB-CB 4.34Å; A99-K106 HydrophobicContact CB-CG 4.21Å; S102-K106 PolarHBondContact O-N 3.18Å; W103-K106 HydrophobicContact CE3-CD 4.04Å; W103-K106 HydrophobicContact CZ3-CD 4.01Å; W103-K106 PolarHBondContact O-N 3.21Å; H104-K106 VanDerWaalsContact C-N 3.33Å; H104-K106 PolarHBondContact O-N 3.23Å; K106-I108 PolarHBondContact O-N 3.07Å; K106-V109 PolarHBondContact O-N 2.97Å; K106-E110 WeakPolarHBondContact CE-OE1 3.42Å; K106-E110 WeakPolarHBondContact CE-OE2 3.36Å; K106-E110 HydrophobicContact CG-CG 4.12Å; K106-E110 WeakPolarHBondContact CG-OE2 3.23Å; K106-E110 WeakPolarHBondContact O-CB 3.45Å; K106-E110 VanDerWaalsContact O-CG 3.23Å; K106-E110 WeakPolarHBondContact O-CG 3.33Å; K106-E110 PolarHBondContact O-N 2.94Å; K106-E110 VanDerWaalsContact O-N 3.07Å
107S93.6Very high92.2Very high62 Ų6248.7 Ų48.743%0.43424%0.238SC..Hα-helixtrans-60.1-27.8179.4780000113.9W103 H104 W105 L111W103-S107 PolarHBondContact O-N 3.27Å; H104-S107 PolarHBondContact O-N 2.85Å; H104-S107 PolarHBondContact O-OG 3.33Å; W105-S107 VanDerWaalsContact C-N 3.31Å; W105-S107 PolarHBondContact O-N 3.18Å; S107-L111 WeakPolarHBondContact O-CG 3.41Å
108I93.6Very high92.1Very high3 Ų345.9 Ų45.92%0.01523%0.228CC..Hα-helixtrans-84.9-49.2177.4-60.9168.4000110.7T75 C83 L84 F87 H104 W105 K106 E110 L111 L114T75-I108 HydrophobicContact CG2-CD1 4.17Å; C83-I108 HydrophobicContact CB-CD1 4.43Å; L84-I108 HydrophobicContact CD2-CG2 3.83Å; L84-I108 HydrophobicContact CG-CG2 4.09Å; F87-I108 HydrophobicContact CD2-CG2 3.69Å; F87-I108 HydrophobicContact CE2-CB 4.36Å; F87-I108 HydrophobicContact CE2-CG2 3.89Å; H104-I108 PolarHBondContact O-N 3.07Å; W105-I108 PolarHBondContact O-N 2.98Å; K106-I108 PolarHBondContact O-N 3.07Å; I108-E110 PolarHBondContact O-N 3.32Å; I108-L111 HydrophobicContact CG2-CD1 4.42Å; I108-L111 WeakPolarHBondContact O-CB 3.36Å; I108-L111 VanDerWaalsContact O-CD1 3.25Å; I108-L111 WeakPolarHBondContact O-CD1 3.5Å; I108-L111 VanDerWaalsContact O-CG 3.25Å; I108-L111 WeakPolarHBondContact O-CG 3.37Å; I108-L111 PolarHBondContact O-N 3.02Å; I108-L114 WeakPolarHBondContact O-CD1 3.03Å
109V94.8Very high91.8Very high2 Ų245.2 Ų45.21%0.01222%0.224CC..Hα-helixtrans-73.5-14.9-173.1-60.20000113.7F87 L95 C98 A99 W105 K106 L111 L114 W115F87-V109 HydrophobicContact CB-CG1 4.48Å; F87-V109 HydrophobicContact CD1-CG1 3.8Å; F87-V109 HydrophobicContact CD2-CG1 3.94Å; F87-V109 HydrophobicContact CE1-CG1 3.91Å; F87-V109 HydrophobicContact CE2-CG1 4.04Å; F87-V109 HydrophobicContact CG-CG1 3.83Å; F87-V109 HydrophobicContact CZ-CG1 4.03Å; L95-V109 HydrophobicContact CD2-CB 4.16Å; L95-V109 HydrophobicContact CD2-CG1 3.97Å; C98-V109 HydrophobicContact CB-CG1 3.86Å; A99-V109 HydrophobicContact CB-CG2 3.61Å; W105-V109 WeakPolarHBondContact O-CG2 3.46Å; W105-V109 PolarHBondContact O-N 3.17Å; K106-V109 PolarHBondContact O-N 2.97Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L114 HydrophobicContact CB-CD1 4.35Å; V109-W115 PolarHBondContact O-NE1 3.27Å
110E92.4Very high91.5Very high60 Ų6044.6 Ų44.628%0.2822%0.218SC..THydrogen-bonded Turntrans-83.9-4.9175-68.5-169148.100113.8K106 I108 G136 K139K106-E110 WeakPolarHBondContact CE-OE1 3.42Å; K106-E110 WeakPolarHBondContact CE-OE2 3.36Å; K106-E110 HydrophobicContact CG-CG 4.12Å; K106-E110 WeakPolarHBondContact CG-OE2 3.23Å; K106-E110 WeakPolarHBondContact O-CB 3.45Å; K106-E110 VanDerWaalsContact O-CG 3.23Å; K106-E110 WeakPolarHBondContact O-CG 3.33Å; K106-E110 PolarHBondContact O-N 2.94Å; K106-E110 VanDerWaalsContact O-N 3.07Å; I108-E110 PolarHBondContact O-N 3.32Å; E110-G136 WeakPolarHBondContact O-CA 3.29Å; E110-K139 HydrophobicContact CG-CD 4.2Å; E110-K139 IonicContact OE1-NZ 3.23Å; E110-K139 PolarHBondContact OE1-NZ 3.13Å
111L92.1Very high91.1Very high21 Ų2144.3 Ų44.311%0.1121%0.21CC..  trans-70.2138.3-177.1-66.1165.3000112.5R80 L84 S107 I108 V109 Q113 L114R80-L111 VanDerWaalsContact NH2-CD2 3.29Å; L84-L111 HydrophobicContact CD1-CD1 4.2Å; L84-L111 HydrophobicContact CD2-CB 4.32Å; L84-L111 HydrophobicContact CD2-CD1 3.8Å; L84-L111 HydrophobicContact CG-CD1 4.37Å; S107-L111 WeakPolarHBondContact O-CG 3.41Å; I108-L111 HydrophobicContact CG2-CD1 4.42Å; I108-L111 WeakPolarHBondContact O-CB 3.36Å; I108-L111 VanDerWaalsContact O-CD1 3.25Å; I108-L111 WeakPolarHBondContact O-CD1 3.5Å; I108-L111 VanDerWaalsContact O-CG 3.25Å; I108-L111 WeakPolarHBondContact O-CG 3.37Å; I108-L111 PolarHBondContact O-N 3.02Å; V109-L111 VanDerWaalsContact C-N 3.31Å; L111-Q113 PolarHBondContact O-N 2.94Å; L111-Q113 VanDerWaalsContact O-N 3.09Å; L111-L114 WeakPolarHBondContact O-CB 3.37Å; L111-L114 PolarHBondContact O-N 3.35Å
112D90.6Very high90.8Very high23 Ų2343.2 Ų43.212%0.12320%0.198CC..Hα-helixtrans-61.2-24-178.3-75.1-27.6000113.6L114 W115 M116 G136 V137 W138D112-L114 PolarHBondContact O-N 3.13Å; D112-L114 VanDerWaalsContact O-N 3.1Å; D112-W115 PolarHBondContact O-N 3.1Å; D112-W115 VanDerWaalsContact O-N 3.14Å; D112-M116 WeakPolarHBondContact O-CB 3.22Å; D112-M116 PolarHBondContact O-N 2.54Å; D112-G136 WeakPolarHBondContact OD1-CA 3.33Å; D112-G136 PolarHBondContact OD1-N 3.36Å; D112-V137 PolarHBondContact OD1-N 3.27Å; D112-V137 PolarHBondContact OD2-N 3.46Å; D112-W138 HydrophobicContact CB-CB 4.3Å; D112-W138 HydrophobicContact CB-CG 4.23Å; D112-W138 VanDerWaalsContact CG-CD1 3.48Å; D112-W138 WeakPolarHBondContact OD1-CB 3.35Å; D112-W138 PolarHBondContact OD1-N 3.13Å
113Q90Very high90.4Very high40 Ų4043.5 Ų43.519%0.18721%0.207CC..Hα-helixtrans-57.5-24.4174.2-54.6178.2-87.600113.1R80 L111 R319 A322R80-Q113 VanDerWaalsContact NH1-OE1 3.09Å; L111-Q113 PolarHBondContact O-N 2.94Å; L111-Q113 VanDerWaalsContact O-N 3.09Å; Q113-R319 PolarHBondContact NE2-O 3.37Å; Q113-A322 HydrophobicContact CB-CB 4.28Å; Q113-A322 WeakPolarHBondContact O-CB 3.5Å; Q113-A322 PolarHBondContact O-N 3.45Å
114L92.4Very high90.2Very high3 Ų335.6 Ų35.62%0.01618%0.177CC..Hα-helixtrans-89.9-39.5175.9-68.9168000112.6L84 F87 L95 I108 V109 L111 D112 K118 A322L84-L114 HydrophobicContact CD2-CD1 3.87Å; L84-L114 HydrophobicContact CD2-CD2 4.21Å; L84-L114 HydrophobicContact CD2-CG 3.79Å; L84-L114 WeakPolarHBondContact O-CD2 3.45Å; F87-L114 HydrophobicContact CB-CD1 4.11Å; F87-L114 HydrophobicContact CB-CD2 3.88Å; L95-L114 HydrophobicContact CD2-CD1 4.38Å; I108-L114 WeakPolarHBondContact O-CD1 3.03Å; V109-L114 HydrophobicContact CB-CD1 4.35Å; L111-L114 WeakPolarHBondContact O-CB 3.37Å; L111-L114 PolarHBondContact O-N 3.35Å; D112-L114 PolarHBondContact O-N 3.13Å; D112-L114 VanDerWaalsContact O-N 3.1Å; L114-K118 WeakPolarHBondContact O-CE 3.48Å; L114-K118 WeakPolarHBondContact O-CG 3.36Å; L114-A322 HydrophobicContact CD2-CB 3.79Å; L114-A322 HydrophobicContact CG-CB 4.37Å
115W91.6Very high89.9Confident4 Ų433.2 Ų33.22%0.01517%0.17CC..Hα-helixtrans-87.8-30.4-170.5-65.990.3000112.8P92 L95 V109 D112 A117 K118 C119 W138 K139 Y142P92-W115 HydrophobicContact CB-CH2 3.99Å; P92-W115 HydrophobicContact CB-CZ3 3.81Å; P92-W115 HydrophobicContact CG-CZ3 4.38Å; L95-W115 HydrophobicContact CB-CZ2 4.09Å; L95-W115 HydrophobicContact CD1-CZ2 4.21Å; V109-W115 PolarHBondContact O-NE1 3.27Å; D112-W115 PolarHBondContact O-N 3.1Å; D112-W115 VanDerWaalsContact O-N 3.14Å; W115-A117 PolarHBondContact O-N 2.95Å; W115-K118 PolarHBondContact O-N 3.32Å; W115-K118 VanDerWaalsContact O-N 3.1Å; W115-C119 PolarHBondContact O-N 3.48Å; W115-C119 PolarHBondContact O-SG 3.05Å; W115-W138 HydrophobicContact CB-CB 3.71Å; W115-K139 HydrophobicContact CB-CB 4.35Å; W115-K139 HydrophobicContact CD2-CB 3.69Å; W115-K139 HydrophobicContact CD2-CG 3.86Å; W115-K139 HydrophobicContact CE3-CB 4.27Å; W115-K139 HydrophobicContact CE3-CG 4.2Å; W115-K139 HydrophobicContact CG-CB 3.69Å; W115-K139 HydrophobicContact CG-CG 4.36Å; W115-K139 HydrophobicContact CH2-CG 4.21Å; W115-K139 HydrophobicContact CZ2-CD 3.95Å; W115-K139 HydrophobicContact CZ2-CG 3.87Å; W115-K139 HydrophobicContact CZ3-CG 4.36Å; W115-Y142 HydrophobicContact CE3-CD1 4.18Å; W115-Y142 HydrophobicContact CE3-CD2 4.45Å; W115-Y142 AromaticContact CE3-CG 3.92Å; W115-Y142 HydrophobicContact CE3-CG 3.92Å; W115-Y142 AromaticContact CZ3-CD1 3.75Å; W115-Y142 HydrophobicContact CZ3-CD1 3.75Å; W115-Y142 HydrophobicContact CZ3-CE1 4.29Å; W115-Y142 AromaticContact CZ3-CG 3.99Å; W115-Y142 HydrophobicContact CZ3-CG 3.99Å
116M89.1Confident89.3Confident3 Ų331.8 Ų31.82%0.01517%0.165CC..Hα-helixtrans-57.2-51.3179.5-176.5-177.194.700111.4D112 K118 C119 L120 W138 L314 L315 W320D112-M116 WeakPolarHBondContact O-CB 3.22Å; D112-M116 PolarHBondContact O-N 2.54Å; M116-K118 PolarHBondContact O-N 3.05Å; M116-C119 PolarHBondContact O-N 2.9Å; M116-L120 HydrophobicContact CE-CD1 4.12Å; M116-L120 HydrophobicContact CG-CD1 3.72Å; M116-L120 HydrophobicContact CG-CG 4.3Å; M116-L120 WeakPolarHBondContact O-CB 3.48Å; M116-L120 VanDerWaalsContact O-CG 3.31Å; M116-L120 WeakPolarHBondContact O-CG 3.29Å; M116-L120 PolarHBondContact O-N 3.38Å; M116-L120 HydrophobicContact SD-CD1 4.38Å; M116-W138 HydrophobicContact CB-CB 4.46Å; M116-W138 HydrophobicContact CB-CD2 3.68Å; M116-W138 HydrophobicContact CB-CE3 4.14Å; M116-W138 HydrophobicContact CB-CG 3.84Å; M116-W138 HydrophobicContact CB-CZ2 4.47Å; M116-W138 HydrophobicContact CG-CD2 3.71Å; M116-W138 HydrophobicContact CG-CE3 4Å; M116-W138 HydrophobicContact CG-CG 4.35Å; M116-W138 HydrophobicContact CG-CH2 3.88Å; M116-W138 HydrophobicContact CG-CZ2 3.6Å; M116-W138 HydrophobicContact CG-CZ3 4.07Å; M116-W138 HydrophobicContact SD-CZ2 4.02Å; M116-L314 HydrophobicContact CE-CB 4.05Å; M116-L315 HydrophobicContact CE-CD2 3.66Å; M116-L315 HydrophobicContact CE-CG 4.15Å; M116-W320 HydrophobicContact CE-CB 3.6Å; M116-W320 WeakPolarHBondContact CE-O 3.26Å; M116-W320 HydrophobicContact SD-CB 4.26Å; M116-W320 HydrophobicContact SD-CE3 4.34Å
117A86.4Confident88.5Confident16 Ų1634 Ų3413%0.13218%0.184CC..Hα-helixtrans-59.4-36.217700000112.6W115 R121 L315W115-A117 PolarHBondContact O-N 2.95Å; A117-R121 VanDerWaalsContact O-CG 3.24Å; A117-R121 WeakPolarHBondContact O-CG 3.25Å; A117-R121 PolarHBondContact O-N 3.37Å; A117-R121 VanDerWaalsContact O-N 3.1Å; A117-L315 HydrophobicContact CB-CD2 3.75Å
118K88.9Confident87.7Confident16 Ų1635.2 Ų35.27%0.0718%0.182CC..Hα-helixtrans-70.8-39.5179.4-63178.2-166.5-70.80111.9S88 L90 P92 L95 L114 W115 M116 F122 Y142S88-K118 PolarHBondContact O-NZ 2.7Å; L90-K118 WeakPolarHBondContact O-CE 3.44Å; L90-K118 PolarHBondContact O-NZ 2.7Å; P92-K118 HydrophobicContact CG-CD 4.04Å; L95-K118 HydrophobicContact CD1-CD 4.24Å; L114-K118 WeakPolarHBondContact O-CE 3.48Å; L114-K118 WeakPolarHBondContact O-CG 3.36Å; W115-K118 PolarHBondContact O-N 3.32Å; W115-K118 VanDerWaalsContact O-N 3.1Å; M116-K118 PolarHBondContact O-N 3.05Å; K118-F122 WeakPolarHBondContact O-CD2 3.31Å; K118-F122 WeakPolarHBondContact O-CE2 3.39Å; K118-Y142 HydrophobicContact CB-CE2 4.41Å
119C88.6Confident86.7Confident0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-66-48173.3-66.80000112W115 M116 R121 F122 G123 W124 W138W115-C119 PolarHBondContact O-N 3.48Å; W115-C119 PolarHBondContact O-SG 3.05Å; M116-C119 PolarHBondContact O-N 2.9Å; C119-R121 VanDerWaalsContact C-N 3.28Å; C119-R121 PolarHBondContact O-N 3.49Å; C119-F122 PolarHBondContact O-N 3.29Å; C119-G123 PolarHBondContact O-N 3.05Å; C119-W124 HydrophobicContact CB-CB 4.14Å; C119-W124 WeakPolarHBondContact O-CB 3.33Å; C119-W124 PolarHBondContact O-N 2.95Å; C119-W138 HydrophobicContact CB-CE3 3.7Å; C119-W138 HydrophobicContact CB-CZ3 3.91Å; C119-W138 PolarHBondContact SG-O 2.96Å
120L86.6Confident85.8Confident4 Ų438.6 Ų38.62%0.02121%0.205CC..Hα-helixtrans-67.9-26.7-175.1-68177.4000113.2M116 F122 G123 C125 W138 A311 L315M116-L120 HydrophobicContact CE-CD1 4.12Å; M116-L120 HydrophobicContact CG-CD1 3.72Å; M116-L120 HydrophobicContact CG-CG 4.3Å; M116-L120 WeakPolarHBondContact O-CB 3.48Å; M116-L120 VanDerWaalsContact O-CG 3.31Å; M116-L120 WeakPolarHBondContact O-CG 3.29Å; M116-L120 PolarHBondContact O-N 3.38Å; M116-L120 HydrophobicContact SD-CD1 4.38Å; L120-F122 PolarHBondContact O-N 2.97Å; L120-G123 PolarHBondContact O-N 3.37Å; L120-C125 VanDerWaalsContact CD2-SG 3.53Å; L120-W138 HydrophobicContact CD1-CH2 4.44Å; L120-W138 HydrophobicContact CD2-CH2 3.99Å; L120-W138 HydrophobicContact CD2-CZ3 4.04Å; L120-W138 HydrophobicContact CG-CH2 4.19Å; L120-W138 HydrophobicContact CG-CZ3 4.07Å; L120-A311 HydrophobicContact CD1-CB 3.79Å; L120-A311 HydrophobicContact CD2-CB 3.67Å; L120-A311 HydrophobicContact CG-CB 4.41Å; L120-L315 HydrophobicContact CB-CD1 3.88Å; L120-L315 HydrophobicContact CD1-CD1 3.76Å; L120-L315 HydrophobicContact CD1-CD2 3.92Å; L120-L315 HydrophobicContact CD1-CG 3.7Å
121R84.9Confident85Confident150 Ų15038.5 Ų38.557%0.56621%0.211SC*.THydrogen-bonded Turntrans-56.6-30169.4-81.4174.671.1-154.9-4.1112.9A117 C119 D231A117-R121 VanDerWaalsContact O-CG 3.24Å; A117-R121 WeakPolarHBondContact O-CG 3.25Å; A117-R121 PolarHBondContact O-N 3.37Å; A117-R121 VanDerWaalsContact O-N 3.1Å; C119-R121 VanDerWaalsContact C-N 3.28Å; C119-R121 PolarHBondContact O-N 3.49Å; R121-D231 IonicContact CZ-OD1 3.94Å; R121-D231 VanDerWaalsContact CZ-OD1 3.23Å; R121-D231 IonicContact NH1-OD1 3.17Å; R121-D231 PolarHBondContact NH1-OD1 3.19Å; R121-D231 IonicContact NH2-OD1 3.07Å; R121-D231 PolarHBondContact NH2-OD1 3.44Å
122F83.7Confident84Confident66 Ų6642.3 Ų42.329%0.28925%0.245SC..THydrogen-bonded Turntrans-97.59175.6-56.5-64.5000113.1K118 C119 L120 W124 Y142 L230K118-F122 WeakPolarHBondContact O-CD2 3.31Å; K118-F122 WeakPolarHBondContact O-CE2 3.39Å; C119-F122 PolarHBondContact O-N 3.29Å; L120-F122 PolarHBondContact O-N 2.97Å; F122-W124 HydrophobicContact CB-CD2 3.73Å; F122-W124 VanDerWaalsContact CB-CE2 3.46Å; F122-W124 HydrophobicContact CB-CE3 4.32Å; F122-W124 HydrophobicContact CB-CG 4.01Å; F122-W124 HydrophobicContact CB-CH2 4.43Å; F122-W124 HydrophobicContact CB-CZ2 3.82Å; F122-W124 HydrophobicContact CD2-CD2 4.48Å; F122-W124 HydrophobicContact CD2-CE3 4.23Å; F122-W124 HydrophobicContact CD2-CH2 4.01Å; F122-W124 HydrophobicContact CD2-CZ2 4.23Å; F122-W124 HydrophobicContact CD2-CZ3 4.01Å; F122-W124 HydrophobicContact CG-CD2 4.49Å; F122-W124 HydrophobicContact CG-CH2 4.3Å; F122-W124 HydrophobicContact CG-CZ2 4.05Å; F122-W124 VanDerWaalsContact O-CD1 3.24Å; F122-W124 PolarHBondContact O-N 3.34Å; F122-W124 PolarHBondContact O-NE1 3.14Å; F122-Y142 HydrophobicContact CD2-CE2 4.49Å; F122-Y142 HydrophobicContact CE2-CE2 4.25Å; F122-L230 HydrophobicContact CD2-CD1 4.24Å; F122-L230 HydrophobicContact CE1-CB 3.78Å; F122-L230 HydrophobicContact CE1-CD1 4.37Å; F122-L230 HydrophobicContact CE2-CB 4.07Å; F122-L230 HydrophobicContact CE2-CD1 3.76Å; F122-L230 HydrophobicContact CZ-CB 3.35Å; F122-L230 HydrophobicContact CZ-CD1 3.87Å; F122-L230 HydrophobicContact CZ-CG 4.19Å
123G85.1Confident83.2Confident45 Ų4549.6 Ų49.646%0.46428%0.276SS..THydrogen-bonded Turntrans7111.7-174.700000114.2C119 L120 C125C119-G123 PolarHBondContact O-N 3.05Å; L120-G123 PolarHBondContact O-N 3.37Å; G123-C125 PolarHBondContact O-N 2.97Å
124W88.2Confident82.7Confident45 Ų4551.7 Ų51.717%0.1729%0.286CS..  trans-79.9103.7-179.1-56.2-16.2000110.2C119 F122 Y142 T145 V146 L149 L230C119-W124 HydrophobicContact CB-CB 4.14Å; C119-W124 WeakPolarHBondContact O-CB 3.33Å; C119-W124 PolarHBondContact O-N 2.95Å; F122-W124 HydrophobicContact CB-CD2 3.73Å; F122-W124 VanDerWaalsContact CB-CE2 3.46Å; F122-W124 HydrophobicContact CB-CE3 4.32Å; F122-W124 HydrophobicContact CB-CG 4.01Å; F122-W124 HydrophobicContact CB-CH2 4.43Å; F122-W124 HydrophobicContact CB-CZ2 3.82Å; F122-W124 HydrophobicContact CD2-CD2 4.48Å; F122-W124 HydrophobicContact CD2-CE3 4.23Å; F122-W124 HydrophobicContact CD2-CH2 4.01Å; F122-W124 HydrophobicContact CD2-CZ2 4.23Å; F122-W124 HydrophobicContact CD2-CZ3 4.01Å; F122-W124 HydrophobicContact CG-CD2 4.49Å; F122-W124 HydrophobicContact CG-CH2 4.3Å; F122-W124 HydrophobicContact CG-CZ2 4.05Å; F122-W124 VanDerWaalsContact O-CD1 3.24Å; F122-W124 PolarHBondContact O-N 3.34Å; F122-W124 PolarHBondContact O-NE1 3.14Å; W124-Y142 HydrophobicContact CE3-CD2 4.19Å; W124-Y142 HydrophobicContact CE3-CE2 4.48Å; W124-Y142 AromaticContact CZ3-CD2 3.76Å; W124-Y142 HydrophobicContact CZ3-CD2 3.76Å; W124-Y142 AromaticContact CZ3-CE2 3.74Å; W124-Y142 HydrophobicContact CZ3-CE2 3.74Å; W124-Y142 HydrophobicContact CZ3-CG 4.39Å; W124-T145 HydrophobicContact CD2-CG2 4.36Å; W124-T145 HydrophobicContact CE3-CG2 4.43Å; W124-T145 HydrophobicContact CG-CG2 4.45Å; W124-T145 WeakPolarHBondContact CZ3-OG1 3.37Å; W124-V146 HydrophobicContact CH2-CG2 3.84Å; W124-V146 HydrophobicContact CZ3-CG2 3.97Å; W124-L149 HydrophobicContact CH2-CD1 3.98Å; W124-L149 HydrophobicContact CZ2-CD1 3.41Å; W124-L149 VanDerWaalsContact CZ2-CD1 3.41Å; W124-L230 HydrophobicContact CH2-CD1 3.65Å; W124-L230 HydrophobicContact CZ2-CD1 4.44Å; W124-L230 HydrophobicContact CZ3-CD1 4.39Å
125C85.5Confident82.2Confident32 Ų3258.5 Ų58.522%0.21632%0.318CS..  trans-105.5147.1179.7-59.60000110.9L120 G123L120-C125 VanDerWaalsContact CD2-SG 3.53Å; G123-C125 PolarHBondContact O-N 2.97Å
126I83.9Confident81.9Confident5 Ų558.7 Ų58.73%0.02632%0.321CS..  trans-88.1137.5172.7-56.5174.6000108.5F128 V137 W138 H141I126-F128 HydrophobicContact CG2-CD1 3.34Å; I126-F128 HydrophobicContact CG2-CD2 4.22Å; I126-F128 HydrophobicContact CG2-CE1 3.26Å; I126-F128 HydrophobicContact CG2-CE2 4.15Å; I126-F128 HydrophobicContact CG2-CG 3.84Å; I126-F128 HydrophobicContact CG2-CZ 3.69Å; I126-F128 PolarHBondContact O-N 2.92Å; I126-V137 HydrophobicContact CD1-CG1 3.85Å; I126-W138 HydrophobicContact CB-CH2 4.45Å; I126-W138 HydrophobicContact CD1-CD2 3.46Å; I126-W138 VanDerWaalsContact CD1-CD2 3.46Å; I126-W138 HydrophobicContact CD1-CE3 3.71Å; I126-W138 HydrophobicContact CD1-CG 3.9Å; I126-W138 HydrophobicContact CD1-CH2 4.14Å; I126-W138 HydrophobicContact CD1-CZ2 3.9Å; I126-W138 HydrophobicContact CD1-CZ3 4.05Å; I126-W138 HydrophobicContact CG1-CD2 4.24Å; I126-W138 HydrophobicContact CG1-CE3 4.01Å; I126-W138 HydrophobicContact CG1-CH2 4.01Å; I126-W138 HydrophobicContact CG1-CZ2 4.21Å; I126-W138 HydrophobicContact CG1-CZ3 3.9Å; I126-H141 HydrophobicContact CD1-CB 4.18Å; I126-H141 HydrophobicContact CG1-CB 4.19Å
127T76Confident82Confident115 Ų11559 Ų5971%0.70632%0.323SS*.SBendtrans-800.9-176.656.30000114P305T127-P305 WeakPolarHBondContact O-CA 3.46Å; T127-P305 VanDerWaalsContact O-CB 3.3Å; T127-P305 WeakPolarHBondContact O-CB 3.49Å
128F77.3Confident82.1Confident87 Ų8758.4 Ų58.438%0.38232%0.317SS..SBendtrans-137.1159.4-179.865-90.6000109.7I126 P130 V137I126-F128 HydrophobicContact CG2-CD1 3.34Å; I126-F128 HydrophobicContact CG2-CD2 4.22Å; I126-F128 HydrophobicContact CG2-CE1 3.26Å; I126-F128 HydrophobicContact CG2-CE2 4.15Å; I126-F128 HydrophobicContact CG2-CG 3.84Å; I126-F128 HydrophobicContact CG2-CZ 3.69Å; I126-F128 PolarHBondContact O-N 2.92Å; F128-P130 HydrophobicContact CE2-CG 4.43Å; F128-P130 WeakPolarHBondContact O-CD 3.4Å; F128-V137 HydrophobicContact CE2-CG1 3.96Å; F128-V137 HydrophobicContact CZ-CG1 3.64Å
129S72.8Confident82.3Confident42 Ų4259.2 Ų59.229%0.29432%0.32SS..  trans-85.3114.9171.4550000109.8S131S129-S131 PolarHBondContact O-N 2.75Å
130P76.6Confident82.4Confident33 Ų3366 Ų6621%0.21435%0.346CS..  trans-54.9137.6174.7-26.536.3000111.3F128 V137F128-P130 HydrophobicContact CE2-CG 4.43Å; F128-P130 WeakPolarHBondContact O-CD 3.4Å; P130-V137 HydrophobicContact CB-CB 4.34Å; P130-V137 HydrophobicContact CB-CG2 3.98Å; P130-V137 HydrophobicContact CG-CB 4.25Å; P130-V137 HydrophobicContact CG-CG1 4.17Å; P130-V137 HydrophobicContact CG-CG2 4.43Å
131S75.8Confident82.6Confident59 Ų5967.9 Ų67.941%0.41336%0.355SS..  trans-67.6149.6170.21720000109.9S129 F133 E134S129-S131 PolarHBondContact O-N 2.75Å; S131-F133 PolarHBondContact O-N 3.17Å; S131-E134 PolarHBondContact N-OE2 2.58Å; S131-E134 PolarHBondContact O-N 3.18Å
132A70.3Confident82.9Confident100 Ų10061 Ų6183%0.82633%0.329SS*.THydrogen-bonded Turntrans-59.1-19.517900000113.6
133F74.2Confident83.2Confident176 Ų17661.2 Ų61.277%0.77233%0.332SS*.THydrogen-bonded Turntrans-92.2-13.7178.7-55.5-75000113.4S131 Q135S131-F133 PolarHBondContact O-N 3.17Å; F133-Q135 PolarHBondContact O-N 3.35Å
134E79.7Confident83.4Confident85 Ų8565.2 Ų65.240%0.39734%0.337SS..  trans-82.5113.6178.3-67.8178.214400109.5S131 V137S131-E134 PolarHBondContact N-OE2 2.58Å; S131-E134 PolarHBondContact O-N 3.18Å; E134-V137 HydrophobicContact CB-CG2 3.55Å
135Q81.1Confident83.4Confident146 Ų14664.2 Ų64.268%0.68234%0.336SS*.  trans-97.1147.5177-62.7-177.88.400111F133 V137 R140F133-Q135 PolarHBondContact O-N 3.35Å; Q135-V137 VanDerWaalsContact C-N 3.27Å; Q135-V137 PolarHBondContact O-N 3Å; Q135-R140 PolarHBondContact O-NH2 3.02Å; Q135-R140 VanDerWaalsContact O-NH2 3.17Å
136G85.8Confident83.5Confident8 Ų863.3 Ų63.38%0.08233%0.329CS..SBendtrans64.427.9173.400000113.8E110 D112 W138 R140E110-G136 WeakPolarHBondContact O-CA 3.29Å; D112-G136 WeakPolarHBondContact OD1-CA 3.33Å; D112-G136 PolarHBondContact OD1-N 3.36Å; G136-W138 VanDerWaalsContact C-N 3.33Å; G136-R140 WeakPolarHBondContact O-CB 3.38Å; G136-R140 WeakPolarHBondContact O-CG 3.39Å; G136-R140 PolarHBondContact O-N 3.3Å; G136-R140 PolarHBondContact O-NE 3.04Å
137V89.9Confident83.6Confident9 Ų968 Ų686%0.05535%0.351CS..Hα-helixtrans-63.6-43.8176.7-171.20000109.9D112 I126 F128 P130 E134 Q135 R140 H141D112-V137 PolarHBondContact OD1-N 3.27Å; D112-V137 PolarHBondContact OD2-N 3.46Å; I126-V137 HydrophobicContact CD1-CG1 3.85Å; F128-V137 HydrophobicContact CE2-CG1 3.96Å; F128-V137 HydrophobicContact CZ-CG1 3.64Å; P130-V137 HydrophobicContact CB-CB 4.34Å; P130-V137 HydrophobicContact CB-CG2 3.98Å; P130-V137 HydrophobicContact CG-CB 4.25Å; P130-V137 HydrophobicContact CG-CG1 4.17Å; P130-V137 HydrophobicContact CG-CG2 4.43Å; E134-V137 HydrophobicContact CB-CG2 3.55Å; Q135-V137 VanDerWaalsContact C-N 3.27Å; Q135-V137 PolarHBondContact O-N 3Å; V137-R140 PolarHBondContact O-N 3.48Å; V137-H141 WeakPolarHBondContact O-CB 3.37Å; V137-H141 PolarHBondContact O-N 2.78Å
138W89.9Confident84.1Confident4 Ų464.5 Ų64.52%0.01533%0.328CS..Hα-helixtrans-70.5-35.7-179.9-71.188000112D112 W115 M116 C119 L120 I126 G136 H141 Y142 I306D112-W138 HydrophobicContact CB-CB 4.3Å; D112-W138 HydrophobicContact CB-CG 4.23Å; D112-W138 VanDerWaalsContact CG-CD1 3.48Å; D112-W138 WeakPolarHBondContact OD1-CB 3.35Å; D112-W138 PolarHBondContact OD1-N 3.13Å; W115-W138 HydrophobicContact CB-CB 3.71Å; M116-W138 HydrophobicContact CB-CB 4.46Å; M116-W138 HydrophobicContact CB-CD2 3.68Å; M116-W138 HydrophobicContact CB-CE3 4.14Å; M116-W138 HydrophobicContact CB-CG 3.84Å; M116-W138 HydrophobicContact CB-CZ2 4.47Å; M116-W138 HydrophobicContact CG-CD2 3.71Å; M116-W138 HydrophobicContact CG-CE3 4Å; M116-W138 HydrophobicContact CG-CG 4.35Å; M116-W138 HydrophobicContact CG-CH2 3.88Å; M116-W138 HydrophobicContact CG-CZ2 3.6Å; M116-W138 HydrophobicContact CG-CZ3 4.07Å; M116-W138 HydrophobicContact SD-CZ2 4.02Å; C119-W138 HydrophobicContact CB-CE3 3.7Å; C119-W138 HydrophobicContact CB-CZ3 3.91Å; C119-W138 PolarHBondContact SG-O 2.96Å; L120-W138 HydrophobicContact CD1-CH2 4.44Å; L120-W138 HydrophobicContact CD2-CH2 3.99Å; L120-W138 HydrophobicContact CD2-CZ3 4.04Å; L120-W138 HydrophobicContact CG-CH2 4.19Å; L120-W138 HydrophobicContact CG-CZ3 4.07Å; I126-W138 HydrophobicContact CB-CH2 4.45Å; I126-W138 HydrophobicContact CD1-CD2 3.46Å; I126-W138 VanDerWaalsContact CD1-CD2 3.46Å; I126-W138 HydrophobicContact CD1-CE3 3.71Å; I126-W138 HydrophobicContact CD1-CG 3.9Å; I126-W138 HydrophobicContact CD1-CH2 4.14Å; I126-W138 HydrophobicContact CD1-CZ2 3.9Å; I126-W138 HydrophobicContact CD1-CZ3 4.05Å; I126-W138 HydrophobicContact CG1-CD2 4.24Å; I126-W138 HydrophobicContact CG1-CE3 4.01Å; I126-W138 HydrophobicContact CG1-CH2 4.01Å; I126-W138 HydrophobicContact CG1-CZ2 4.21Å; I126-W138 HydrophobicContact CG1-CZ3 3.9Å; G136-W138 VanDerWaalsContact C-N 3.33Å; W138-H141 PolarHBondContact O-N 3.01Å; W138-Y142 WeakPolarHBondContact O-CB 3.33Å; W138-Y142 PolarHBondContact O-N 3.37Å; W138-I306 HydrophobicContact CZ2-CD1 4.36Å
139K91.6Very high84.5Confident32 Ų3263.7 Ų63.714%0.13933%0.327CS..Hα-helixtrans-61.1-48172-179.9179172.3-176.80111.4E110 W115 H141 Y142 I143E110-K139 HydrophobicContact CG-CD 4.2Å; E110-K139 IonicContact OE1-NZ 3.23Å; E110-K139 PolarHBondContact OE1-NZ 3.13Å; W115-K139 HydrophobicContact CB-CB 4.35Å; W115-K139 HydrophobicContact CD2-CB 3.69Å; W115-K139 HydrophobicContact CD2-CG 3.86Å; W115-K139 HydrophobicContact CE3-CB 4.27Å; W115-K139 HydrophobicContact CE3-CG 4.2Å; W115-K139 HydrophobicContact CG-CB 3.69Å; W115-K139 HydrophobicContact CG-CG 4.36Å; W115-K139 HydrophobicContact CH2-CG 4.21Å; W115-K139 HydrophobicContact CZ2-CD 3.95Å; W115-K139 HydrophobicContact CZ2-CG 3.87Å; W115-K139 HydrophobicContact CZ3-CG 4.36Å; K139-H141 VanDerWaalsContact C-N 3.34Å; K139-H141 PolarHBondContact O-N 3.16Å; K139-Y142 WeakPolarHBondContact O-CB 3.43Å; K139-Y142 PolarHBondContact O-N 3.06Å; K139-I143 HydrophobicContact CG-CD1 4.02Å; K139-I143 WeakPolarHBondContact O-CG1 3.21Å; K139-I143 PolarHBondContact O-N 2.94Å
140R90.9Very high85Confident144 Ų14466.7 Ų66.754%0.54334%0.336SS..Hα-helixtrans-61.5-43.1177.4-75.6-179.9-76.4157.6-9.4111.4Q135 G136 V137 I143 K144Q135-R140 PolarHBondContact O-NH2 3.02Å; Q135-R140 VanDerWaalsContact O-NH2 3.17Å; G136-R140 WeakPolarHBondContact O-CB 3.38Å; G136-R140 WeakPolarHBondContact O-CG 3.39Å; G136-R140 PolarHBondContact O-N 3.3Å; G136-R140 PolarHBondContact O-NE 3.04Å; V137-R140 PolarHBondContact O-N 3.48Å; R140-I143 PolarHBondContact O-N 3.45Å; R140-K144 WeakPolarHBondContact O-CB 3.47Å; R140-K144 PolarHBondContact O-N 3.23Å
141H91.1Very high85.3Confident43 Ų4371.3 Ų71.320%0.19935%0.35CS..Hα-helixtrans-61.2-44.8175.6-175.271.2000112I126 V137 W138 K139 I143 K144 T145I126-H141 HydrophobicContact CD1-CB 4.18Å; I126-H141 HydrophobicContact CG1-CB 4.19Å; V137-H141 WeakPolarHBondContact O-CB 3.37Å; V137-H141 PolarHBondContact O-N 2.78Å; W138-H141 PolarHBondContact O-N 3.01Å; K139-H141 VanDerWaalsContact C-N 3.34Å; K139-H141 PolarHBondContact O-N 3.16Å; H141-I143 PolarHBondContact O-N 3.35Å; H141-K144 PolarHBondContact O-N 3.43Å; H141-T145 WeakPolarHBondContact O-CB 3.34Å; H141-T145 WeakPolarHBondContact O-CG2 3.43Å; H141-T145 PolarHBondContact O-N 2.81Å; H141-T145 PolarHBondContact O-OG1 3.12Å
142Y90.9Very high85.7Confident6 Ų676.9 Ų76.92%0.02436%0.362CS..Hα-helixtrans-57.5-48.8175.3-172.7-84.6000111.9P92 W115 K118 F122 W124 W138 K139 K144 T145 V146 L230P92-Y142 HydrophobicContact CB-CE1 3.89Å; P92-Y142 HydrophobicContact CG-CE1 3.99Å; P92-Y142 HydrophobicContact CG-CE2 4.18Å; P92-Y142 WeakPolarHBondContact CG-OH 3.32Å; W115-Y142 HydrophobicContact CE3-CD1 4.18Å; W115-Y142 HydrophobicContact CE3-CD2 4.45Å; W115-Y142 AromaticContact CE3-CG 3.92Å; W115-Y142 HydrophobicContact CE3-CG 3.92Å; W115-Y142 AromaticContact CZ3-CD1 3.75Å; W115-Y142 HydrophobicContact CZ3-CD1 3.75Å; W115-Y142 HydrophobicContact CZ3-CE1 4.29Å; W115-Y142 AromaticContact CZ3-CG 3.99Å; W115-Y142 HydrophobicContact CZ3-CG 3.99Å; K118-Y142 HydrophobicContact CB-CE2 4.41Å; F122-Y142 HydrophobicContact CD2-CE2 4.49Å; F122-Y142 HydrophobicContact CE2-CE2 4.25Å; W124-Y142 HydrophobicContact CE3-CD2 4.19Å; W124-Y142 HydrophobicContact CE3-CE2 4.48Å; W124-Y142 AromaticContact CZ3-CD2 3.76Å; W124-Y142 HydrophobicContact CZ3-CD2 3.76Å; W124-Y142 AromaticContact CZ3-CE2 3.74Å; W124-Y142 HydrophobicContact CZ3-CE2 3.74Å; W124-Y142 HydrophobicContact CZ3-CG 4.39Å; W138-Y142 WeakPolarHBondContact O-CB 3.33Å; W138-Y142 PolarHBondContact O-N 3.37Å; K139-Y142 WeakPolarHBondContact O-CB 3.43Å; K139-Y142 PolarHBondContact O-N 3.06Å; Y142-K144 PolarHBondContact O-N 3.17Å; Y142-T145 WeakPolarHBondContact CA-OG1 3.5Å; Y142-T145 PolarHBondContact O-OG1 3.38Å; Y142-V146 HydrophobicContact CD1-CG2 4.08Å; Y142-V146 HydrophobicContact CE1-CG2 3.67Å; Y142-V146 VanDerWaalsContact O-CG2 3.3Å; Y142-V146 WeakPolarHBondContact O-CG2 3.43Å; Y142-V146 PolarHBondContact O-N 2.96Å; Y142-L230 VanDerWaalsContact OH-CD1 3.32Å; Y142-L230 WeakPolarHBondContact OH-CD1 3.42Å
143I89.7Confident86.1Confident69 Ų6978.4 Ų78.435%0.35436%0.355SS..Hα-helixtrans-63.4-45.3-178.9-66.7166.6000110.5K139 R140 H141 V146 Q147K139-I143 HydrophobicContact CG-CD1 4.02Å; K139-I143 WeakPolarHBondContact O-CG1 3.21Å; K139-I143 PolarHBondContact O-N 2.94Å; R140-I143 PolarHBondContact O-N 3.45Å; H141-I143 PolarHBondContact O-N 3.35Å; I143-V146 PolarHBondContact O-N 3Å; I143-Q147 HydrophobicContact CG2-CG 4.49Å; I143-Q147 VanDerWaalsContact O-CG 3.29Å; I143-Q147 WeakPolarHBondContact O-CG 3.37Å; I143-Q147 PolarHBondContact O-N 2.95Å
144K89.3Confident86Confident129 Ų12977.4 Ų77.456%0.56136%0.357SS*.Hα-helixtrans-62.2-47.7179.8-177.8174.2179.8174.30112R140 H141 Y142 V146 Q147 D148R140-K144 WeakPolarHBondContact O-CB 3.47Å; R140-K144 PolarHBondContact O-N 3.23Å; H141-K144 PolarHBondContact O-N 3.43Å; Y142-K144 PolarHBondContact O-N 3.17Å; K144-V146 PolarHBondContact O-N 2.88Å; K144-Q147 PolarHBondContact O-N 3.32Å; K144-D148 PolarHBondContact O-N 2.77Å
145T88.6Confident85.2Confident24 Ų2479.4 Ų79.415%0.14737%0.366CS..Hα-helixtrans-61.8-42.6179.245.50000111.8W124 H141 Y142 D148 L149W124-T145 HydrophobicContact CD2-CG2 4.36Å; W124-T145 HydrophobicContact CE3-CG2 4.43Å; W124-T145 HydrophobicContact CG-CG2 4.45Å; W124-T145 WeakPolarHBondContact CZ3-OG1 3.37Å; H141-T145 WeakPolarHBondContact O-CB 3.34Å; H141-T145 WeakPolarHBondContact O-CG2 3.43Å; H141-T145 PolarHBondContact O-N 2.81Å; H141-T145 PolarHBondContact O-OG1 3.12Å; Y142-T145 WeakPolarHBondContact CA-OG1 3.5Å; Y142-T145 PolarHBondContact O-OG1 3.38Å; T145-D148 PolarHBondContact O-N 3.02Å; T145-L149 VanDerWaalsContact O-CG 3.3Å; T145-L149 WeakPolarHBondContact O-CG 3.26Å; T145-L149 PolarHBondContact O-N 3.07Å
146V87.1Confident83.4Confident13 Ų1377.1 Ų77.18%0.07936%0.363CS..Hα-helixtrans-61.9-44.3174.2171.60000111.7W124 Y142 I143 K144 D148 L149 Q150 Y229 L230W124-V146 HydrophobicContact CH2-CG2 3.84Å; W124-V146 HydrophobicContact CZ3-CG2 3.97Å; Y142-V146 HydrophobicContact CD1-CG2 4.08Å; Y142-V146 HydrophobicContact CE1-CG2 3.67Å; Y142-V146 VanDerWaalsContact O-CG2 3.3Å; Y142-V146 WeakPolarHBondContact O-CG2 3.43Å; Y142-V146 PolarHBondContact O-N 2.96Å; I143-V146 PolarHBondContact O-N 3Å; K144-V146 PolarHBondContact O-N 2.88Å; V146-D148 VanDerWaalsContact C-N 3.35Å; V146-D148 PolarHBondContact O-N 3.13Å; V146-L149 PolarHBondContact O-N 2.99Å; V146-Q150 VanDerWaalsContact O-CG 3.29Å; V146-Q150 WeakPolarHBondContact O-CG 3.39Å; V146-Q150 PolarHBondContact O-N 2.89Å; V146-Y229 HydrophobicContact CG1-CE2 4Å; V146-Y229 HydrophobicContact CG2-CE2 4.43Å; V146-L230 HydrophobicContact CG2-CD1 4.31Å
147Q86.9Confident81.8Confident105 Ų10582.1 Ų82.149%0.49139%0.394SS..Hα-helixtrans-62.3-41177.1-74.4173.8-1400112.3I143 K144 Q150 R151I143-Q147 HydrophobicContact CG2-CG 4.49Å; I143-Q147 VanDerWaalsContact O-CG 3.29Å; I143-Q147 WeakPolarHBondContact O-CG 3.37Å; I143-Q147 PolarHBondContact O-N 2.95Å; K144-Q147 PolarHBondContact O-N 3.32Å; Q147-Q150 PolarHBondContact O-N 3.36Å; Q147-R151 PolarHBondContact O-N 3.31Å
148D86.6Confident79.5Confident41 Ų4187.4 Ų87.422%0.21943%0.431CS..Hα-helixtrans-68.2-38.3178-72.6-26.9000111.6K144 T145 V146 R151 R152K144-D148 PolarHBondContact O-N 2.77Å; T145-D148 PolarHBondContact O-N 3.02Å; V146-D148 VanDerWaalsContact C-N 3.35Å; V146-D148 PolarHBondContact O-N 3.13Å; D148-R151 PolarHBondContact O-N 3.31Å; D148-R151 IonicContact OD1-CZ 2.77Å; D148-R151 IonicContact OD1-NH1 3.95Å; D148-R151 PolarHBondContact OD1-NH1 3.12Å; D148-R151 VanDerWaalsContact OD1-NH1 3.17Å; D148-R151 IonicContact OD1-NH2 2.64Å; D148-R151 PolarHBondContact OD1-NH2 3.09Å; D148-R151 VanDerWaalsContact OD1-NH2 3.07Å; D148-R152 WeakPolarHBondContact O-CG 3.47Å; D148-R152 PolarHBondContact O-N 2.87Å
149L86.3Confident77.1Confident70 Ų7094.8 Ų94.837%0.36647%0.468SS..Hα-helixtrans-63.1-43.2172.6-72.4171.8000111.8W124 T145 V146 R151 R152 L153W124-L149 HydrophobicContact CH2-CD1 3.98Å; W124-L149 HydrophobicContact CZ2-CD1 3.41Å; W124-L149 VanDerWaalsContact CZ2-CD1 3.41Å; T145-L149 VanDerWaalsContact O-CG 3.3Å; T145-L149 WeakPolarHBondContact O-CG 3.26Å; T145-L149 PolarHBondContact O-N 3.07Å; V146-L149 PolarHBondContact O-N 2.99Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.32Å; L149-R152 PolarHBondContact O-N 3.35Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 2.97Å
150Q81.7Confident74.7Confident104 Ų10498 Ų9849%0.48649%0.491SS..Hα-helixtrans-60.8-43.3175.7-74172-23.200111.7V146 Q147 L153 L154V146-Q150 VanDerWaalsContact O-CG 3.29Å; V146-Q150 WeakPolarHBondContact O-CG 3.39Å; V146-Q150 PolarHBondContact O-N 2.89Å; Q147-Q150 PolarHBondContact O-N 3.36Å; Q150-L153 PolarHBondContact O-N 3.04Å; Q150-L154 WeakPolarHBondContact O-CG 3.47Å; Q150-L154 PolarHBondContact O-N 3.02Å; Q150-L154 VanDerWaalsContact O-N 3.14Å
151R84.6Confident72.4Confident130 Ų13097.1 Ų97.149%0.49151%0.505SS..Hα-helixtrans-59.9-48.5175.9-167.4-171.9-54.2127.717.3111.1Q147 D148 L149 L153 L154 E155Q147-R151 PolarHBondContact O-N 3.31Å; D148-R151 PolarHBondContact O-N 3.31Å; D148-R151 IonicContact OD1-CZ 2.77Å; D148-R151 IonicContact OD1-NH1 3.95Å; D148-R151 PolarHBondContact OD1-NH1 3.12Å; D148-R151 VanDerWaalsContact OD1-NH1 3.17Å; D148-R151 IonicContact OD1-NH2 2.64Å; D148-R151 PolarHBondContact OD1-NH2 3.09Å; D148-R151 VanDerWaalsContact OD1-NH2 3.07Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.32Å; R151-L153 VanDerWaalsContact C-N 3.32Å; R151-L153 PolarHBondContact O-N 2.68Å; R151-L154 PolarHBondContact O-N 2.9Å; R151-L154 VanDerWaalsContact O-N 3.12Å; R151-E155 WeakPolarHBondContact CD-OE1 3.29Å; R151-E155 HydrophobicContact CG-CG 4.42Å; R151-E155 WeakPolarHBondContact CG-OE1 3.38Å; R151-E155 WeakPolarHBondContact O-CG 3.45Å; R151-E155 PolarHBondContact O-N 3.36Å
152R82.3Confident69.6Low176 Ų176104.3 Ų104.366%0.66454%0.538SS*.Hα-helixtrans-60.8-38.7178.7-70.9176-169.3-166.72.9113D148 L149 L154 E155 T156D148-R152 WeakPolarHBondContact O-CG 3.47Å; D148-R152 PolarHBondContact O-N 2.87Å; L149-R152 PolarHBondContact O-N 3.35Å; R152-L154 VanDerWaalsContact C-N 3.31Å; R152-L154 PolarHBondContact O-N 3.38Å; R152-E155 PolarHBondContact O-N 2.96Å; R152-T156 PolarHBondContact O-N 3.25Å
153L78.9Confident67.1Low132 Ų132112.3 Ų112.369%0.69158%0.58SS**Hα-helixtrans-65-36.7176.7-72.3170.7000111.9L149 Q150 R151 T156L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 2.97Å; Q150-L153 PolarHBondContact O-N 3.04Å; R151-L153 VanDerWaalsContact C-N 3.32Å; R151-L153 PolarHBondContact O-N 2.68Å; L153-T156 PolarHBondContact O-OG1 3.35Å
154L72Confident64.6Low155 Ų155117.5 Ų117.581%0.81260%0.603SS**Hα-helixtrans-75-25.7176-66.5167.8000113Q150 R151 R152Q150-L154 WeakPolarHBondContact O-CG 3.47Å; Q150-L154 PolarHBondContact O-N 3.02Å; Q150-L154 VanDerWaalsContact O-N 3.14Å; R151-L154 PolarHBondContact O-N 2.9Å; R151-L154 VanDerWaalsContact O-N 3.12Å; R152-L154 VanDerWaalsContact C-N 3.31Å; R152-L154 PolarHBondContact O-N 3.38Å
155E64.3Low61.7Low127 Ų127119.2 Ų119.259%0.59362%0.618SS**THydrogen-bonded Turntrans-871.8178.7-73.1175.6179.600113.9R151 R152 P157R151-E155 WeakPolarHBondContact CD-OE1 3.29Å; R151-E155 HydrophobicContact CG-CG 4.42Å; R151-E155 WeakPolarHBondContact CG-OE1 3.38Å; R151-E155 WeakPolarHBondContact O-CG 3.45Å; R151-E155 PolarHBondContact O-N 3.36Å; R152-E155 PolarHBondContact O-N 2.96Å; E155-P157 VanDerWaalsContact O-CD 3.25Å; E155-P157 WeakPolarHBondContact O-CD 3.31Å; E155-P157 VanDerWaalsContact O-N 3.1Å
156T43.8Very low59.5Low99 Ų99123.1 Ų123.161%0.60765%0.645SS**  trans-55.7116.9176.8-47.80000109.9R152 L153 S158R152-T156 PolarHBondContact O-N 3.25Å; L153-T156 PolarHBondContact O-OG1 3.35Å; T156-S158 PolarHBondContact O-N 3.38Å
157P50.5Low56.6Low113 Ų113128 Ų12873%0.73468%0.679SS**  trans-66.5130.5-172.7-20.431.7000112.2E155 M159E155-P157 VanDerWaalsContact O-CD 3.25Å; E155-P157 WeakPolarHBondContact O-CD 3.31Å; E155-P157 VanDerWaalsContact O-N 3.1Å; P157-M159 PolarHBondContact O-N 2.72Å
158S43.3Very low53.8Low119 Ų119129 Ų12983%0.83269%0.692SS**SBendtrans-6197.9155.9155.60000109.2T156T156-S158 PolarHBondContact O-N 3.38Å
159M38.6Very low51.2Low160 Ų160134.6 Ų134.679%0.78872%0.72SS**  trans59.2145.8163.9-62-59.4-70.200119.5P157P157-M159 PolarHBondContact O-N 2.72Å
160P41.8Very low48.5Very low98 Ų98136.8 Ų136.864%0.63674%0.741SS**PPolyproline II helixtrans-73.5159173.3-3.821.1000112.2E162P160-E162 PolarHBondContact O-N 3.14Å
161P42.4Very low45.7Very low127 Ų127135.5 Ų135.583%0.82576%0.756SS**PPolyproline II helixtrans-67.9124.6173.24.69.6000109.6L163P161-L163 PolarHBondContact O-N 3.45Å
162E32.8Very low43Very low193 Ų193132.8 Ų132.890%0.90277%0.769SS**PPolyproline II helixtrans-57.5125.8168.3-94.217214900110P160P160-E162 PolarHBondContact O-N 3.14Å
163L38.3Very low40.3Very low174 Ų174135 Ų13591%0.91178%0.777SS**PPolyproline II helixtrans-62.5131167.1-80156.3000109.4P161P161-L163 PolarHBondContact O-N 3.45Å
164E36.5Very low37.9Very low179 Ų179137.2 Ų137.284%0.83678%0.781SS**PPolyproline II helixtrans-54.4145.8173.4-62.2-178.2151.900112.6
165N29.1Very low35.7Very low164 Ų164138.3 Ų138.388%0.87778%0.782SS**  trans-157.3154.1134.6-93.3-28.4000111.4
166P42Very low34.4Very low107 Ų107136.9 Ų136.970%0.69578%0.784SS**  trans-114.1173.6-14633.2-17.8000115.4
167S26.4Very low34.4Very low116 Ų116136.4 Ų136.481%0.81178%0.783SS**  trans79.5137.716674.10000116.1
168V28.5Very low33.3Very low125 Ų125140.1 Ų140.176%0.75879%0.787SS**  cis-156.1136.744.21670000111.9
169I31.8Very low32.4Very low158 Ų158141.7 Ų141.781%0.8179%0.786SS**  trans4.6129.4148.1-55.7165.5000118.9
170S28Very low31.9Very low116 Ų116137.4 Ų137.481%0.81178%0.776SS**  -175.2108116.5-172.20000113.5
171G24.3Very low31.2Very low77 Ų77141.2 Ų141.279%0.79478%0.782SS**  trans36.9130132.500000122
172G27Very low30.3Very low74 Ų74141.4 Ų141.476%0.76378%0.776SS**  trans15165.314600000118.6
173R25.6Very low29.9Very low222 Ų222137.9 Ų137.984%0.83876%0.763SS**  38.3108129.6-152.9-159.5-178.1-169.32118.2
174K29.1Very low29.4Very low178 Ų178137.4 Ų137.477%0.77475%0.754SS**  170.4125.3107.9-94.1177.7177.6175.20111.1
175E25.9Very low28.8Very low179 Ų179136.2 Ų136.284%0.83675%0.749SS**  trans-89-175.7171.8-137.8-153.1-144.700109.5
176P37.5Very low28.8Very low96 Ų96137.2 Ų137.262%0.62375%0.748SS**  -118.2-127.8-98.540.1-20.2000108.4
177P43.4Very low28.5Very low89 Ų89137.7 Ų137.758%0.57875%0.75SS**  cis-124.2-175.5-44.334.4-17.3000110.7
178K27.5Very low28.4Very low191 Ų191138.1 Ų138.183%0.8375%0.748SS**  179.6112.2124.8-93.3159.3-168.9-171.10109.4
179L24.5Very low28.3Very low153 Ų153138.4 Ų138.480%0.80175%0.75SS**  68.5106.489.3-117.391.3000112.8
180A26.9Very low27.9Very low70 Ų70136.4 Ų136.458%0.57975%0.745SS**  119.2128.1104.300000116.5
181K27.8Very low28Very low177 Ų177138.8 Ų138.877%0.7775%0.747SS**  trans82.6110.4136.1-74168.9-172.5-177.40114.9
182N23.4Very low28.1Very low132 Ų132143.7 Ų143.771%0.70675%0.75SS**  70.9134.986.6-77.17.8000109.2
183N24.8Very low28.6Very low118 Ų118145.4 Ų145.463%0.63175%0.747SS**  cis178.7164.612.8-114.9-7.9000106.3
184K26.6Very low28.7Very low164 Ų164140.9 Ų140.971%0.71375%0.747SS**  trans71.7147.6153.6-68.2172.1169.6-146.20116.6
185E25.3Very low28.5Very low155 Ų155141.2 Ų141.272%0.72475%0.751SS**  cis-164.7155.2-2.7-109.2154.2-162.700105
186H28.3Very low28.8Very low185 Ų185138.2 Ų138.286%0.85675%0.75SS**  trans-58.1165.4168.8-71.7-59.7000112.1
187P35.8Very low28.3Very low116 Ų116139.5 Ų139.575%0.75376%0.761SS**  cis-155.7164.349.437.1-12.1000120.7
188V25.3Very low27.6Very low126 Ų126140.7 Ų140.776%0.76477%0.771SS**  trans33.5122141-175.60000119.7
189T25.1Very low27.6Very low131 Ų131136.8 Ų136.880%0.80477%0.769SS**  -168133117.2-26.50000112.8
190T24.4Very low27.7Very low115 Ų115135 Ų13571%0.70677%0.768SS**  trans3135.5143.6-43.80000119.7
191I30Very low27.9Very low166 Ų166135 Ų13585%0.85178%0.776SS**  176.8143.6119.9-83.3154.4000110.1
192Q27.2Very low28Very low180 Ų180134.5 Ų134.584%0.84178%0.781SS**  trans-70.5-178.4-178.9-109.5-166.81.800113.9
193P37.1Very low28.9Very low110 Ų110138.4 Ų138.471%0.71479%0.791SS**  trans-92.3178.2-140.741.6-37.9000114.3
194P27.8Very low29.1Very low128 Ų128137.2 Ų137.283%0.83179%0.789SS**  trans-133.1164.914233-16.5000114.6
195E23.6Very low29.7Very low185 Ų185139.4 Ų139.486%0.86480%0.801SS**  trans-74.9166.8-164-62.9174.4148.200114.9
196S32.7Very low30.2Very low116 Ų116140.5 Ų140.581%0.81180%0.804SS**  trans-35.8133.7165.6450000116.2
197S26.6Very low30.5Very low122 Ų122141.3 Ų141.385%0.85381%0.805SS**  trans-150.9136.6140.451.70000111.7
198S29.3Very low30.6Very low114 Ų114142.6 Ų142.680%0.79781%0.81SS**  trans-86.9139177.349.20000111.6
199S27.1Very low31.4Very low110 Ų110145.6 Ų145.677%0.76981%0.813SS**  trans-179.2117.4138.951.10000108.4
200S27.1Very low32.4Very low114 Ų114144 Ų14480%0.79781%0.813SS**  98107.197.567.90000113.1
201G30.9Very low33.2Very low72 Ų72145.1 Ų145.174%0.74281%0.814SS**  trans71.1107.8143.600000118.6
202L29.1Very low33.9Very low165 Ų165141.8 Ų141.886%0.86480%0.803SS**  -166.1120.8123.3-119.9109.1000109.1T204L202-T204 PolarHBondContact O-N 2.91Å; L202-T204 VanDerWaalsContact O-N 3.11Å
203K42.7Very low34.8Very low214 Ų214139 Ų13993%0.9380%0.8SS**  trans-63.1109.3170.8-74.4175.7175.1177.60108.4
204T28.6Very low35.3Very low94 Ų94144.1 Ų144.158%0.57781%0.806SS**  trans-135.4122.5156.222.60000106.4L202 K206L202-T204 PolarHBondContact O-N 2.91Å; L202-T204 VanDerWaalsContact O-N 3.11Å; T204-K206 VanDerWaalsContact C-N 3.33Å; T204-K206 PolarHBondContact O-N 3.02Å
205E40.5Very low36.5Very low209 Ų209148.5 Ų148.598%0.97781%0.806SS**  trans-56.596.8172.4-71.1179.615300108.8
206K34.9Very low37.5Very low178 Ų178147 Ų14777%0.77480%0.803SS**  trans-105.1106175.7-85.5177.1178168.90108T204 V208T204-K206 VanDerWaalsContact C-N 3.33Å; T204-K206 PolarHBondContact O-N 3.02Å; K206-V208 PolarHBondContact O-N 3.1Å
207K34.2Very low38.1Very low203 Ų203145.5 Ų145.588%0.88379%0.793SS**  trans-4.3111.6148.9-144.6174.6-171.4177.50111.2K209K207-K209 VanDerWaalsContact C-N 3.32Å; K207-K209 PolarHBondContact O-N 3.38Å
208V38.1Very low39.3Very low143 Ų143144.8 Ų144.887%0.86778%0.78SS**  trans-52.695.5179.6179.50000108.6K206 A210K206-V208 PolarHBondContact O-N 3.1Å; V208-A210 PolarHBondContact O-N 3.29Å
209K41.9Very low40.3Very low189 Ų189149.9 Ų149.982%0.82278%0.781SS**  trans-63.9116.8164.5-81.5-177.2174.5-175.70104.9K207 L211K207-K209 VanDerWaalsContact C-N 3.32Å; K207-K209 PolarHBondContact O-N 3.38Å; K209-L211 PolarHBondContact O-N 3.27Å
210A47.1Very low41.1Very low96 Ų96151.1 Ų151.179%0.79377%0.774SS**  trans-48.5108.3175.700000108.6V208V208-A210 PolarHBondContact O-N 3.29Å
211L40.4Very low42.2Very low140 Ų140149.7 Ų149.773%0.73376%0.762SS**  trans-58.9145.1172.5-68.6166.8000107.6K209K209-L211 PolarHBondContact O-N 3.27Å
212P45.3Very low43.1Very low96 Ų96155.5 Ų155.562%0.62377%0.768SS**  trans-56.3145.1172.124.2-32.1000109.5W214P212-W214 PolarHBondContact O-N 3.2Å
213P45.1Very low44Very low120 Ų120153.3 Ų153.378%0.77976%0.757SS**SBendtrans-69.60.9-164.7-17.931000115.6
214W48.8Very low44.4Very low219 Ų219150.2 Ų150.283%0.8376%0.756SS**  trans-106.5122.5-170.5-31.595.4000110.3P212P212-W214 PolarHBondContact O-N 3.2Å
215R53.1Low45.3Very low220 Ų220151.6 Ų151.683%0.8376%0.758SS**PPolyproline II helixtrans-102.5129.2152.9-80.2-176-177.4-102.41.5107.8
216D43.7Very low45.9Very low153 Ų153147.1 Ų147.182%0.81873%0.733SS**PPolyproline II helixtrans-57.1161.4172.5-72.2-43.4000111.4D218D216-D218 PolarHBondContact O-N 3.29Å; D216-D218 VanDerWaalsContact O-N 3.07Å
217S46.1Very low46.5Very low84 Ų84147 Ų14759%0.58773%0.732SS**PPolyproline II helixtrans-58.9118.1174.4-66.50000109.2R219S217-R219 PolarHBondContact O-N 2.88Å
218D51Low47.5Very low108 Ų108137.8 Ų137.858%0.57869%0.693SS**PPolyproline II helixtrans-54.5123.5174.3-171.1-9000109.2D216 H220D216-D218 PolarHBondContact O-N 3.29Å; D216-D218 VanDerWaalsContact O-N 3.07Å; D218-H220 PolarHBondContact O-N 3.25Å; D218-H220 PolarHBondContact OD1-N 2.77Å
219R50.5Low48.2Very low220 Ų220137 Ų13783%0.8368%0.675SS**SBendtrans-69.1-19.3-178.5-163.3171.3-178.7178.70.4111.2S217S217-R219 PolarHBondContact O-N 2.88Å
220H42.9Very low48.9Very low136 Ų136130.3 Ų130.363%0.6365%0.648SS**SBendtrans-140.770.9-179.8-54.699.4000111.1D218 K222D218-H220 PolarHBondContact O-N 3.25Å; D218-H220 PolarHBondContact OD1-N 2.77Å; H220-K222 PolarHBondContact O-N 2.98Å; H220-K222 VanDerWaalsContact O-N 3.1Å
221P51.5Low49.1Very low84 Ų84127.8 Ų127.855%0.54562%0.621SS.*  trans-63.6115.9-176.926.8-32.1000110.2
222K48.8Very low49.4Very low195 Ų195126 Ų12685%0.84861%0.612SS**  trans-94.2-14.1176.1-68.3-176.5-179.6-179.90113.6H220H220-K222 PolarHBondContact O-N 2.98Å; H220-K222 VanDerWaalsContact O-N 3.1Å
223D49.2Very low49.4Very low119 Ų119128.3 Ų128.364%0.63662%0.619SS**  trans-102.5129.3179.1-70.4-37.5000111.2
224T50.4Low49.4Very low148 Ų148126.4 Ų126.491%0.90860%0.602SS**SBendtrans-73.8-15.2163.752.10000111.9
225I47.6Very low48.9Very low123 Ų123121.9 Ų121.963%0.63159%0.593SS**  trans-93100.9179-56.9170.1000107.8
226R53.3Low48.5Very low116 Ų116116.1 Ų116.144%0.43858%0.582SS.*  trans-80.3130.1166.8-102-177.7176.3124.818.2108.7R97 N228R97-R226 VanDerWaalsContact NH1-CZ 3.28Å; R226-N228 VanDerWaalsContact C-N 3.34Å; R226-N228 PolarHBondContact O-N 3.44Å
227F47.1Very low48.5Very low175 Ų175114.9 Ų114.977%0.76857%0.572SS**  trans-59.394168.9-70.5-82.7000110.3
228N55.1Low48.3Very low10 Ų10116.7 Ų116.75%0.05357%0.571CS.*  trans-89.4119.6165.8-176.47.9000108.1D91 R226 L230 D231 N232D91-N228 HydrophobicContact CB-CB 4.33Å; D91-N228 WeakPolarHBondContact CB-ND2 3.34Å; R226-N228 VanDerWaalsContact C-N 3.34Å; R226-N228 PolarHBondContact O-N 3.44Å; N228-L230 PolarHBondContact O-N 3.44Å; N228-L230 VanDerWaalsContact O-N 3.13Å; N228-D231 HydrophobicContact CB-CB 4.04Å; N228-D231 WeakPolarHBondContact ND2-CB 3.49Å; N228-D231 VanDerWaalsContact ND2-CG 3.32Å; N228-D231 PolarHBondContact ND2-OD2 3.08Å; N228-D231 PolarHBondContact O-N 2.89Å; N228-N232 PolarHBondContact O-ND2 3Å; N228-N232 PolarHBondContact O-OD1 3.22Å
229Y53.5Low47.7Very low125 Ų125115.8 Ų115.849%0.4957%0.57SS.*THydrogen-bonded Turntrans-65.2-16.5-171.252.3-83.7000114.2V146V146-Y229 HydrophobicContact CG1-CE2 4Å; V146-Y229 HydrophobicContact CG2-CE2 4.43Å
230L55.3Low47.2Very low49 Ų49113.1 Ų113.126%0.25756%0.564SS.*THydrogen-bonded Turntrans-114.9-13.4175.9-55.5-178.6000115.4F122 W124 Y142 V146 N228F122-L230 HydrophobicContact CD2-CD1 4.24Å; F122-L230 HydrophobicContact CE1-CB 3.78Å; F122-L230 HydrophobicContact CE1-CD1 4.37Å; F122-L230 HydrophobicContact CE2-CB 4.07Å; F122-L230 HydrophobicContact CE2-CD1 3.76Å; F122-L230 HydrophobicContact CZ-CB 3.35Å; F122-L230 HydrophobicContact CZ-CD1 3.87Å; F122-L230 HydrophobicContact CZ-CG 4.19Å; W124-L230 HydrophobicContact CH2-CD1 3.65Å; W124-L230 HydrophobicContact CZ2-CD1 4.44Å; W124-L230 HydrophobicContact CZ3-CD1 4.39Å; Y142-L230 VanDerWaalsContact OH-CD1 3.32Å; Y142-L230 WeakPolarHBondContact OH-CD1 3.42Å; V146-L230 HydrophobicContact CG2-CD1 4.31Å; N228-L230 PolarHBondContact O-N 3.44Å; N228-L230 VanDerWaalsContact O-N 3.13Å
231D51.9Low47.1Very low43 Ų43116.2 Ų116.223%0.2357%0.57CS.*THydrogen-bonded Turntrans-99.68.7-178.9-83.9-38.7000112.8R121 N228 L233R121-D231 IonicContact CZ-OD1 3.94Å; R121-D231 VanDerWaalsContact CZ-OD1 3.23Å; R121-D231 IonicContact NH1-OD1 3.17Å; R121-D231 PolarHBondContact NH1-OD1 3.19Å; R121-D231 IonicContact NH2-OD1 3.07Å; R121-D231 PolarHBondContact NH2-OD1 3.44Å; N228-D231 HydrophobicContact CB-CB 4.04Å; N228-D231 WeakPolarHBondContact ND2-CB 3.49Å; N228-D231 VanDerWaalsContact ND2-CG 3.32Å; N228-D231 PolarHBondContact ND2-OD2 3.08Å; N228-D231 PolarHBondContact O-N 2.89Å; D231-L233 PolarHBondContact O-N 3.33Å
232N48.2Very low46.3Very low102 Ų102118.3 Ų118.355%0.54558%0.577SS.*  trans-72.927.6178.4-68.4-38000114.4N228N228-N232 PolarHBondContact O-ND2 3Å; N228-N232 PolarHBondContact O-OD1 3.22Å
233L44.4Very low45.6Very low145 Ų145112.4 Ų112.476%0.75957%0.571SS**  trans-126.970.1176.4-81.5165.8000110.6D231 L235D231-L233 PolarHBondContact O-N 3.33Å; L233-L235 VanDerWaalsContact C-N 3.33Å
234D45.6Very low44.9Very low80 Ų80110.8 Ų110.843%0.42858%0.575SS.*  trans-94.569.9154-79.4-37.7000109.7V236 E237 Q238D234-V236 PolarHBondContact O-N 3.03Å; D234-V236 VanDerWaalsContact O-N 3.15Å; D234-E237 HydrophobicContact CB-CB 3.73Å; D234-E237 HydrophobicContact CB-CG 3.83Å; D234-E237 PolarHBondContact O-N 3.37Å; D234-E237 VanDerWaalsContact O-N 3.14Å; D234-Q238 PolarHBondContact O-N 2.85Å
235L38.4Very low44.4Very low124 Ų124108.5 Ų108.565%0.64957%0.565SS**Hα-helixtrans-60.3-15.2161.7-157.173.4000110.9L233 T239L233-L235 VanDerWaalsContact C-N 3.33Å; L235-T239 WeakPolarHBondContact O-CG2 3.45Å; L235-T239 PolarHBondContact O-OG1 3.18Å
236V43.2Very low43.8Very low99 Ų99111 Ų11160%0.657%0.574SS**Hα-helixtrans-87.1-29.2174.6-175.30000112.4D234 T239 F240D234-V236 PolarHBondContact O-N 3.03Å; D234-V236 VanDerWaalsContact O-N 3.15Å; V236-T239 PolarHBondContact O-OG1 3.3Å; V236-T239 VanDerWaalsContact O-OG1 3.1Å; V236-F240 HydrophobicContact CG1-CE2 4.22Å; V236-F240 WeakPolarHBondContact O-CD2 3.36Å
237E44.5Very low42.8Very low128 Ų128112.7 Ų112.760%0.59859%0.591SS**Hα-helixtrans-84.7-28.7176.2-68.1-165.7151.900113.4D234 F240 R241D234-E237 HydrophobicContact CB-CB 3.73Å; D234-E237 HydrophobicContact CB-CG 3.83Å; D234-E237 PolarHBondContact O-N 3.37Å; D234-E237 VanDerWaalsContact O-N 3.14Å; E237-F240 PolarHBondContact O-N 3.46Å; E237-R241 PolarHBondContact O-N 3.17Å
238Q42.4Very low42Very low121 Ų121107.9 Ų107.957%0.56559%0.591SS**Hα-helixtrans-67.4-37.2175.5-80.1176.1-8.300112.4D234 F240 R241 D242D234-Q238 PolarHBondContact O-N 2.85Å; Q238-F240 VanDerWaalsContact C-N 3.26Å; Q238-F240 PolarHBondContact O-N 3.16Å; Q238-R241 PolarHBondContact O-N 3.07Å; Q238-D242 PolarHBondContact O-N 3.18Å
239T38.6Very low40.8Very low90 Ų90115.8 Ų115.855%0.55263%0.633SS**Hα-helixtrans-66.6-24.917949.10000113.5L235 V236L235-T239 WeakPolarHBondContact O-CG2 3.45Å; L235-T239 PolarHBondContact O-OG1 3.18Å; V236-T239 PolarHBondContact O-OG1 3.3Å; V236-T239 VanDerWaalsContact O-OG1 3.1Å
240F39.9Very low40Very low164 Ų164113.3 Ų113.372%0.71965%0.645SS**Hα-helixtrans-81.6-19.4172.5-74.4-68.2000114.1V236 E237 Q238V236-F240 HydrophobicContact CG1-CE2 4.22Å; V236-F240 WeakPolarHBondContact O-CD2 3.36Å; E237-F240 PolarHBondContact O-N 3.46Å; Q238-F240 VanDerWaalsContact C-N 3.26Å; Q238-F240 PolarHBondContact O-N 3.16Å
241R39.8Very low38.9Very low201 Ų201120.6 Ų120.676%0.75868%0.675SS**Hα-helixtrans-90.9-36.7175.7-73.7-164.7178.3-160.32.4112.6E237 Q238 G243 A244E237-R241 PolarHBondContact O-N 3.17Å; Q238-R241 PolarHBondContact O-N 3.07Å; R241-G243 VanDerWaalsContact C-N 3.29Å; R241-G243 PolarHBondContact O-N 2.89Å; R241-A244 PolarHBondContact O-N 3.35Å
242D35.4Very low38.1Very low128 Ų128131 Ų13168%0.68471%0.711SS**Hα-helixtrans-77.3-17.9-178.6-65.2-20.9000112.7Q238 A244Q238-D242 PolarHBondContact O-N 3.18Å; D242-A244 VanDerWaalsContact C-N 3.31Å
243G34.6Very low37.6Very low70 Ų70135.6 Ų135.672%0.72273%0.726SS**THydrogen-bonded Turntrans-78.9-6.117100000115.2R241R241-G243 VanDerWaalsContact C-N 3.29Å; R241-G243 PolarHBondContact O-N 2.89Å
244A34.6Very low37.2Very low86 Ų86134.9 Ų134.971%0.71173%0.728SS**THydrogen-bonded Turntrans-103.82.9-174.900000114.2R241 D242R241-A244 PolarHBondContact O-N 3.35Å; D242-A244 VanDerWaalsContact C-N 3.31Å
245S39.7Very low37Very low100 Ų100136.3 Ų136.370%0.69974%0.742SS**SBendtrans-130.355.5-176.1-169.50000112.8
246Q35.3Very low37.7Very low176 Ų176134.1 Ų134.182%0.82274%0.737SS**SBendtrans-152.5131.1144.1-76.5-150.1-8.500111.6
247N30.6Very low37.5Very low151 Ų151136 Ų13681%0.80774%0.739SS**  trans73.9106.8158.9-63.3-13.2000120.4
248G31.4Very low37.5Very low73 Ų73132.8 Ų132.875%0.75373%0.734SS**  79106.6108.900000118.8
249D30.6Very low38.1Very low177 Ų177130.5 Ų130.595%0.94773%0.729SS**  trans55127.5147.5-88.2-31.9000122.2
250G35Very low38.2Very low72 Ų72133.7 Ų133.774%0.74273%0.732SS**  trans103.2106.4139.100000118.9
251K33.5Very low38.4Very low203 Ų203132 Ų13288%0.88372%0.724SS**  trans55.7102.9151.6-94.9174174.1170.70118.5K253K251-K253 PolarHBondContact O-N 2.94Å
252R34.6Very low38.6Very low260 Ų260128.5 Ų128.598%0.98172%0.72SS**  trans-59.3114.5157.3-73.1177.7178.5165.6-0.1110.4
253K37.6Very low39.4Very low199 Ų199132 Ų13287%0.86572%0.724SS**PPolyproline II helixtrans-92.3125.8164.2-73179.4179.6174.50109.5K251K251-K253 PolarHBondContact O-N 2.94Å
254T37Very low39.7Very low130 Ų130135.1 Ų135.180%0.79872%0.717SS**PPolyproline II helixtrans-70.7140.5171.846.50000110.9
255P41Very low40.2Very low111 Ų111134 Ų13472%0.72171%0.708SS**PPolyproline II helixtrans-68.6135.2178.526.8-31.8000111.2
256S52.4Low40.4Very low77 Ų77137.3 Ų137.354%0.53871%0.71SS.*PPolyproline II helixtrans-76.5154.4-175.976.40000113.2A258 T259S256-A258 PolarHBondContact O-N 2.99Å; S256-T259 PolarHBondContact O-N 2.96Å; S256-T259 PolarHBondContact O-OG1 3.03Å
257E39.4Very low40.6Very low139 Ų139133.3 Ų133.365%0.6570%0.701SS**Hα-helixtrans-52.4-24.4-177.3-167.6171.4165.800114.8T259 Y260 K261E257-T259 VanDerWaalsContact C-N 3.3Å; E257-T259 PolarHBondContact O-N 3.17Å; E257-Y260 PolarHBondContact O-N 2.93Å; E257-K261 WeakPolarHBondContact O-CG 3.23Å; E257-K261 PolarHBondContact O-N 3.41Å; E257-K261 IonicContact OE1-NZ 3.46Å
258A44.6Very low41.1Very low61 Ų61132.3 Ų132.350%0.50470%0.695SS.*Hα-helixtrans-62.4-34.4174.900000112.8S256 Y260 K261 L262S256-A258 PolarHBondContact O-N 2.99Å; A258-Y260 VanDerWaalsContact C-N 3.35Å; A258-K261 PolarHBondContact O-N 3.36Å; A258-L262 PolarHBondContact O-N 2.77Å
259T54.1Low41.7Very low73 Ų73136.6 Ų136.645%0.44870%0.698SS.*Hα-helixtrans-73-28.1178.960.30000112.9S256 E257S256-T259 PolarHBondContact O-N 2.96Å; S256-T259 PolarHBondContact O-OG1 3.03Å; E257-T259 VanDerWaalsContact C-N 3.3Å; E257-T259 PolarHBondContact O-N 3.17Å
260Y40.9Very low42.1Very low156 Ų156137.3 Ų137.361%0.61269%0.692SS**Hα-helixtrans-73.3-39175.2-177.9-100.7000111.7E257 A258 R263 K264E257-Y260 PolarHBondContact O-N 2.93Å; A258-Y260 VanDerWaalsContact C-N 3.35Å; Y260-R263 PolarHBondContact O-N 2.97Å; Y260-K264 PolarHBondContact O-N 3.46Å
261K43.5Very low42.2Very low130 Ų130141.1 Ų141.157%0.56570%0.695SS**Hα-helixtrans-70.1-37.5-179-59.7-101.1179.7164.70112.3E257 A258 R263 K264 A265E257-K261 WeakPolarHBondContact O-CG 3.23Å; E257-K261 PolarHBondContact O-N 3.41Å; E257-K261 IonicContact OE1-NZ 3.46Å; A258-K261 PolarHBondContact O-N 3.36Å; K261-R263 VanDerWaalsContact C-N 3.35Å; K261-R263 PolarHBondContact O-N 3.03Å; K261-K264 PolarHBondContact O-N 3.4Å; K261-A265 PolarHBondContact O-N 2.91Å; K261-A265 VanDerWaalsContact O-N 3.15Å
262L45.9Very low42.4Very low127 Ų127142.9 Ų142.967%0.66570%0.696SS**Hα-helixtrans-65.4-35.6176.3-112.4118.6000113A258 K264 K266A258-L262 PolarHBondContact O-N 2.77Å; L262-K264 VanDerWaalsContact C-N 3.35Å; L262-K266 PolarHBondContact O-N 3.21Å
263R51.4Low42.6Very low202 Ų202134.9 Ų134.976%0.76269%0.685SS**Hα-helixtrans-72.1-30.6178.1-152.5179.6-68.4171.1-2.2111.9Y260 K261Y260-R263 PolarHBondContact O-N 2.97Å; K261-R263 VanDerWaalsContact C-N 3.35Å; K261-R263 PolarHBondContact O-N 3.03Å
264K41.7Very low42.5Very low135 Ų135134.7 Ų134.759%0.58769%0.688SS**Hα-helixtrans-74.4-36.9176.4-162.8171-176.4176.30112.7Y260 K261 L262 S267Y260-K264 PolarHBondContact O-N 3.46Å; K261-K264 PolarHBondContact O-N 3.4Å; L262-K264 VanDerWaalsContact C-N 3.35Å; K264-S267 PolarHBondContact O-N 3.25Å
265A43.6Very low42.5Very low63 Ų63136.5 Ų136.552%0.52169%0.692SS.*Hα-helixtrans-68.4-36.8178.100000113.2K261 S267 L268K261-A265 PolarHBondContact O-N 2.91Å; K261-A265 VanDerWaalsContact O-N 3.15Å; A265-S267 VanDerWaalsContact C-N 3.27Å; A265-S267 PolarHBondContact O-N 3.36Å; A265-L268 PolarHBondContact O-N 2.64Å
266K43.6Very low42.1Very low169 Ų169136.9 Ų136.974%0.73570%0.698SS**Hα-helixtrans-65.7-26.9177.2-108.3176.5175.61760113.6L262L262-K266 PolarHBondContact O-N 3.21Å
267S39.3Very low41.6Very low91 Ų91138.8 Ų138.864%0.63671%0.711SS**THydrogen-bonded Turntrans-78.1-16.7179.4-169.60000114K264 A265K264-S267 PolarHBondContact O-N 3.25Å; A265-S267 VanDerWaalsContact C-N 3.27Å; A265-S267 PolarHBondContact O-N 3.36Å
268L42.1Very low41.6Very low130 Ų130138 Ų13868%0.68172%0.718SS**THydrogen-bonded Turntrans-92.4-16.8-179-89.6167.2000114A265 F270A265-L268 PolarHBondContact O-N 2.64Å; L268-F270 VanDerWaalsContact C-N 3.29Å; L268-F270 PolarHBondContact O-N 2.75Å
269M44.1Very low41.6Very low164 Ų164141.1 Ų141.181%0.80873%0.733SS**G310 helixtrans-78.4-11.2178.5-70.6-71.9-169.500113.5
270F40Very low40.9Very low191 Ų191142 Ų14284%0.83875%0.748SS**G310 helixtrans-90.17.5-175.8-109.1-85.5000115.1L268L268-F270 VanDerWaalsContact C-N 3.29Å; L268-F270 PolarHBondContact O-N 2.75Å
271L35.8Very low40.9Very low153 Ų153140.6 Ų140.680%0.80176%0.758SS**G310 helixtrans-115.519.7-177.9-76.5171.5000114.6
272R37.5Very low40.6Very low240 Ų240140.3 Ų140.391%0.90677%0.767SS**SBendtrans-131.523.5-176.9-143.6-179.1-169.8163.13.6117.3
273A38.8Very low39.9Very low91 Ų91141.3 Ų141.375%0.75277%0.773SS**  trans-139.292.117300000110.7
274Q36.6Very low38.8Very low196 Ų196143.7 Ų143.792%0.91678%0.782SS**  trans-175.482144.7-100.8172.348.300108.2
275D35.5Very low38.3Very low167 Ų167145.2 Ų145.289%0.89380%0.796SS**  trans-128.8100.8162.5-118.2-12000106
276S33.5Very low38.4Very low119 Ų119147 Ų14783%0.83280%0.802SS**  trans179.8103.6158.7510000109.9
277S42.1Very low37.7Very low117 Ų117145.8 Ų145.882%0.81881%0.809SS**  trans-93156160.755.80000110.4
278P39.4Very low37.3Very low123 Ų123148.1 Ų148.180%0.79981%0.814SS**  trans-130.2169.714510.313000113.7
279P44.4Very low37.1Very low126 Ų126146.9 Ų146.982%0.81881%0.814SS**  trans-102.3174.3-137.839.2-36.6000116.1
280A38.8Very low36.9Very low92 Ų92149.8 Ų149.876%0.7682%0.816SS**  trans-72.5165.1173.500000113.7
281P41.7Very low36.5Very low126 Ų126148.2 Ų148.282%0.81882%0.815SS**  trans-116.6156.8145.432.3-18.9000113.3
282T36.5Very low36.5Very low124 Ų124150.1 Ų150.176%0.76182%0.82SS**  trans-90.1163.2-160.739.80000115.8
283N32.7Very low36.4Very low149 Ų149144.8 Ų144.880%0.79781%0.814SS**  trans85.9108.6151.9-65.3-13.4000119.4
284R28Very low36.2Very low252 Ų252148.8 Ų148.895%0.95181%0.809SS**  -170.1144.1103.4-92.6177.5-150.2-126.57.3111
285L29.8Very low36.3Very low166 Ų166142.4 Ų142.487%0.86979%0.785SS**  trans-134.7167.6166-151.895.3000106
286P45.9Very low36.5Very low100 Ų100142.4 Ų142.465%0.64978%0.784SS**  cis-122.7152.5-2324.6-5000112.8
287T29.5Very low37.1Very low145 Ų145147 Ų14789%0.8978%0.783SS**  trans-153.6113.6148.6-26.80000110
288D30.8Very low36.7Very low139 Ų139142.3 Ų142.374%0.74375%0.752SS**  trans-104.2136.8154.4-159.413.5000104.4R290D288-R290 PolarHBondContact OD1-N 3.33Å
289P38.8Very low36.8Very low104 Ų104139.2 Ų139.268%0.67573%0.733SS**  -138.7133.274.127.6-6.4000114.3
290R38.3Very low36.6Very low225 Ų225138.7 Ų138.785%0.84973%0.73SS**  trans55.583.1143.6-60.1-174.8176.6-178.2-0.1117.2D288D288-R290 PolarHBondContact OD1-N 3.33Å
291I31.3Very low37.1Very low158 Ų158139.4 Ų139.481%0.8173%0.725SS**  trans-127.4113141.3-59.6178.3000106.2T293I291-T293 PolarHBondContact O-N 2.97Å
292Q36.3Very low37.3Very low194 Ų194140.8 Ų140.891%0.90772%0.72SS**  trans-55.9101.7169.9-79.1174-2.200108.3R294Q292-R294 PolarHBondContact O-N 2.93Å
293T35.5Very low37.9Very low127 Ų127141.3 Ų141.378%0.77972%0.718SS**PPolyproline II helixtrans-63.7118.7169.5450000108I291I291-T293 PolarHBondContact O-N 2.97Å
294R34.6Very low39Very low176 Ų176140.1 Ų140.166%0.66471%0.707SS**PPolyproline II helixtrans-48.8127.9171.1-170.8176.3-154.7-175.13.1108.8Q292 A298Q292-R294 PolarHBondContact O-N 2.93Å; R294-A298 VanDerWaalsContact CD-O 3.25Å; R294-A298 WeakPolarHBondContact CD-O 3.42Å; R294-A298 HydrophobicContact CG-CB 3.67Å; R294-A298 PolarHBondContact NE-O 3.23Å; R294-A298 VanDerWaalsContact NE-O 3.11Å; R294-A298 PolarHBondContact NH1-O 2.84Å
295P38.5Very low40.5Very low62 Ų62131.9 Ų131.940%0.40369%0.687SS.*PPolyproline II helixtrans-63.3148.4-175.225.8-35.2000111W297 A298P295-W297 HydrophobicContact CB-CG 4.44Å; P295-W297 VanDerWaalsContact CB-NE1 3.27Å; P295-W297 HydrophobicContact CG-CD2 4.21Å; P295-W297 HydrophobicContact CG-CG 4.49Å; P295-W297 HydrophobicContact CG-CZ2 3.57Å; P295-W297 PolarHBondContact O-N 3.4Å; P295-A298 PolarHBondContact O-N 2.83Å
296L40.8Very low42.2Very low167 Ų167125.2 Ų125.287%0.87465%0.652SS**G310 helixtrans-52.5-25-171.3-74.4161.7000115A298L296-A298 VanDerWaalsContact C-N 3.25Å; L296-A298 PolarHBondContact O-N 3.43Å
297W45.1Very low43.6Very low214 Ų214124 Ų12481%0.81164%0.643SS**G310 helixtrans-74.3-11.6175.960.9-99.7000114.3P295P295-W297 HydrophobicContact CB-CG 4.44Å; P295-W297 VanDerWaalsContact CB-NE1 3.27Å; P295-W297 HydrophobicContact CG-CD2 4.21Å; P295-W297 HydrophobicContact CG-CG 4.49Å; P295-W297 HydrophobicContact CG-CZ2 3.57Å; P295-W297 PolarHBondContact O-N 3.4Å
298A35.1Very low45.6Very low20 Ų20122.2 Ų122.217%0.16563%0.626CS.*G310 helixtrans-114.58.1-178.800000113.1R294 P295 L296R294-A298 VanDerWaalsContact CD-O 3.25Å; R294-A298 WeakPolarHBondContact CD-O 3.42Å; R294-A298 HydrophobicContact CG-CB 3.67Å; R294-A298 PolarHBondContact NE-O 3.23Å; R294-A298 VanDerWaalsContact NE-O 3.11Å; R294-A298 PolarHBondContact NH1-O 2.84Å; P295-A298 PolarHBondContact O-N 2.83Å; L296-A298 VanDerWaalsContact C-N 3.25Å; L296-A298 PolarHBondContact O-N 3.43Å
299S41Very low47.7Very low57 Ų57119.2 Ų119.240%0.39962%0.621SS.*SBendtrans-78.5139.8165.9-67.40000109.8V301S299-V301 PolarHBondContact O-N 3.11Å; S299-V301 VanDerWaalsContact O-N 3.09Å
300P40Very low49.7Very low116 Ų116117.7 Ų117.775%0.75361%0.61SS**PPolyproline II helixtrans-59.5118.1175.2-15.428.1000109Q302P300-Q302 PolarHBondContact O-N 3.29Å
301V48.4Very low51.4Low107 Ų107107 Ų10765%0.64857%0.57SS**PPolyproline II helixtrans-63.3121.5169.9178.20000106.2S299 D303S299-V301 PolarHBondContact O-N 3.11Å; S299-V301 VanDerWaalsContact O-N 3.09Å; V301-D303 PolarHBondContact O-N 3.46Å; V301-D303 VanDerWaalsContact O-N 3.11Å
302Q46.4Very low53.7Low154 Ų154104 Ų10472%0.7255%0.553SS**  trans-65114.5171.9-69.4-165.8-6.200108.4P300 H304P300-Q302 PolarHBondContact O-N 3.29Å; Q302-H304 PolarHBondContact O-N 2.83Å; Q302-H304 PolarHBondContact O-ND1 2.72Å
303D48.4Very low55.7Low135 Ų13599.7 Ų99.772%0.72254%0.537SS*.  trans-5790.4178.3-72.7-46000111.2V301V301-D303 PolarHBondContact O-N 3.46Å; V301-D303 VanDerWaalsContact O-N 3.11Å
304H56Low57.8Low124 Ų12495.5 Ų95.557%0.57451%0.51SS*.  trans-103.2123.7167.5-68.175.4000108.2Q302 I306Q302-H304 PolarHBondContact O-N 2.83Å; Q302-H304 PolarHBondContact O-ND1 2.72Å; H304-I306 PolarHBondContact O-N 3.47Å
305P60.1Low59.9Low79 Ų7988.5 Ų88.551%0.51349%0.485SS..  trans-57.5139175.922.8-31.9000109.8T127 T307T127-P305 WeakPolarHBondContact O-CA 3.46Å; T127-P305 VanDerWaalsContact O-CB 3.3Å; T127-P305 WeakPolarHBondContact O-CB 3.49Å; P305-T307 PolarHBondContact O-N 3.08Å
306I66.1Low61.7Low26 Ų2689.4 Ų89.413%0.13349%0.493CS..  trans-68.4103.2176.6-56.7176.1000107.4W138 H304 T310 A311W138-I306 HydrophobicContact CZ2-CD1 4.36Å; H304-I306 PolarHBondContact O-N 3.47Å; I306-T310 HydrophobicContact CG2-CG2 4.46Å; I306-A311 HydrophobicContact CG2-CB 3.77Å
307T74.6Confident63.3Low75 Ų7584.3 Ų84.346%0.4647%0.465SS..  trans-64.6154.3172.873.70000110.2P305 A309 T310 A311P305-T307 PolarHBondContact O-N 3.08Å; T307-A309 PolarHBondContact O-N 3.28Å; T307-T310 WeakPolarHBondContact O-CB 3.33Å; T307-T310 PolarHBondContact O-N 3.26Å; T307-T310 PolarHBondContact OG1-N 3.29Å; T307-T310 PolarHBondContact OG1-OG1 2.96Å; T307-A311 PolarHBondContact O-N 3.43Å
308I70.8Confident64.6Low107 Ų10777.7 Ų77.755%0.54945%0.448SS..Hα-helixtrans-54.4-41.2177.6-61.8172.4000110.5T310 A311 M312I308-T310 PolarHBondContact O-N 2.76Å; I308-A311 PolarHBondContact O-N 3.13Å; I308-M312 HydrophobicContact CG2-CE 4.2Å; I308-M312 HydrophobicContact CG2-CG 4.29Å; I308-M312 WeakPolarHBondContact O-CG 3.49Å; I308-M312 PolarHBondContact O-N 2.79Å
309A76.4Confident66.6Low77 Ų7784.3 Ų84.364%0.63647%0.469SS*.Hα-helixtrans-62.5-43.8177.400000112.4T307 M312 N313T307-A309 PolarHBondContact O-N 3.28Å; A309-M312 PolarHBondContact O-N 3.02Å; A309-N313 PolarHBondContact O-N 3.3Å; A309-N313 VanDerWaalsContact O-N 3.09Å
310T79.4Confident68.5Low71 Ų7186.4 Ų86.444%0.43647%0.469SS..Hα-helixtrans-62.4-44.7175-48.50000110.9I306 T307 I308 M312 N313 L314I306-T310 HydrophobicContact CG2-CG2 4.46Å; T307-T310 WeakPolarHBondContact O-CB 3.33Å; T307-T310 PolarHBondContact O-N 3.26Å; T307-T310 PolarHBondContact OG1-N 3.29Å; T307-T310 PolarHBondContact OG1-OG1 2.96Å; I308-T310 PolarHBondContact O-N 2.76Å; T310-M312 PolarHBondContact O-N 3.35Å; T310-N313 PolarHBondContact O-N 3.46Å; T310-L314 WeakPolarHBondContact O-CG 3.06Å; T310-L314 PolarHBondContact O-N 3.41Å
311A75.6Confident70.6Confident2 Ų282.2 Ų82.22%0.01744%0.44CS..Hα-helixtrans-61.1-42.3178.200000112.4L120 I306 T307 I308 N313 L314 L315L120-A311 HydrophobicContact CD1-CB 3.79Å; L120-A311 HydrophobicContact CD2-CB 3.67Å; L120-A311 HydrophobicContact CG-CB 4.41Å; I306-A311 HydrophobicContact CG2-CB 3.77Å; T307-A311 PolarHBondContact O-N 3.43Å; I308-A311 PolarHBondContact O-N 3.13Å; A311-N313 VanDerWaalsContact C-N 3.34Å; A311-N313 PolarHBondContact O-N 2.85Å; A311-L314 PolarHBondContact O-N 2.81Å; A311-L315 PolarHBondContact O-N 3.46Å; A311-L315 VanDerWaalsContact O-N 3.11Å
312M77.9Confident72.4Confident93 Ų9377.5 Ų77.546%0.45841%0.412SS..Hα-helixtrans-65.3-36.7177.1-68.6-63170.600112.2I308 A309 T310 L315I308-M312 HydrophobicContact CG2-CE 4.2Å; I308-M312 HydrophobicContact CG2-CG 4.29Å; I308-M312 WeakPolarHBondContact O-CG 3.49Å; I308-M312 PolarHBondContact O-N 2.79Å; A309-M312 PolarHBondContact O-N 3.02Å; T310-M312 PolarHBondContact O-N 3.35Å; M312-L315 WeakPolarHBondContact O-CB 3.35Å; M312-L315 PolarHBondContact O-N 2.85Å; M312-L315 HydrophobicContact SD-CD1 3.89Å
313N79.8Confident74.1Confident105 Ų10571.7 Ų71.756%0.56139%0.394SS*.Hα-helixtrans-64.1-44.6173.1-168.8-16.3000111.1A309 T310 A311 L315 S316A309-N313 PolarHBondContact O-N 3.3Å; A309-N313 VanDerWaalsContact O-N 3.09Å; T310-N313 PolarHBondContact O-N 3.46Å; A311-N313 VanDerWaalsContact C-N 3.34Å; A311-N313 PolarHBondContact O-N 2.85Å; N313-L315 PolarHBondContact O-N 3.3Å; N313-S316 WeakPolarHBondContact O-CB 3.32Å; N313-S316 PolarHBondContact O-N 2.76Å; N313-S316 PolarHBondContact O-OG 2.81Å
314L79Confident75.8Confident39 Ų3967.5 Ų67.520%0.20437%0.373CS..Hα-helixtrans-58.6-34.1176.7-64.3173.7000112.3M116 T310 A311 S316 M317 W320M116-L314 HydrophobicContact CE-CB 4.05Å; T310-L314 WeakPolarHBondContact O-CG 3.06Å; T310-L314 PolarHBondContact O-N 3.41Å; A311-L314 PolarHBondContact O-N 2.81Å; L314-S316 PolarHBondContact O-N 3.03Å; L314-M317 HydrophobicContact CD2-SD 4.33Å; L314-M317 WeakPolarHBondContact O-CB 3.43Å; L314-M317 PolarHBondContact O-N 3.31Å; L314-W320 HydrophobicContact CB-CB 4.32Å; L314-W320 HydrophobicContact CB-CG 4.29Å; L314-W320 HydrophobicContact CD2-CG 4.33Å; L314-W320 WeakPolarHBondContact O-CB 3.43Å
315L79.1Confident76.9Confident28 Ų2870.9 Ų70.915%0.14738%0.381CS..Hα-helixtrans-64-24.1176.7-74.7175.4000114.7M116 A117 L120 A311 M312 N313 M317 N321M116-L315 HydrophobicContact CE-CD2 3.66Å; M116-L315 HydrophobicContact CE-CG 4.15Å; A117-L315 HydrophobicContact CB-CD2 3.75Å; L120-L315 HydrophobicContact CB-CD1 3.88Å; L120-L315 HydrophobicContact CD1-CD1 3.76Å; L120-L315 HydrophobicContact CD1-CD2 3.92Å; L120-L315 HydrophobicContact CD1-CG 3.7Å; A311-L315 PolarHBondContact O-N 3.46Å; A311-L315 VanDerWaalsContact O-N 3.11Å; M312-L315 WeakPolarHBondContact O-CB 3.35Å; M312-L315 PolarHBondContact O-N 2.85Å; M312-L315 HydrophobicContact SD-CD1 3.89Å; N313-L315 PolarHBondContact O-N 3.3Å; L315-M317 PolarHBondContact O-N 3.5Å; L315-N321 HydrophobicContact CD2-CB 4.19Å; L315-N321 VanDerWaalsContact O-CB 3.24Å; L315-N321 WeakPolarHBondContact O-CB 3.29Å; L315-N321 PolarHBondContact O-ND2 3.3Å
316S74.8Confident77.7Confident81 Ų8168.9 Ų68.957%0.56637%0.368SS*.THydrogen-bonded Turntrans-72.3-16.517575.50000112.5N313 L314N313-S316 WeakPolarHBondContact O-CB 3.32Å; N313-S316 PolarHBondContact O-N 2.76Å; N313-S316 PolarHBondContact O-OG 2.81Å; L314-S316 PolarHBondContact O-N 3.03Å
317M76.1Confident78.1Confident60 Ų6070.1 Ų70.130%0.29639%0.387SS..SBendtrans-95.1127.5-175.2-50-175.5105.800111.5L314 L315 R319 W320 N321L314-M317 HydrophobicContact CD2-SD 4.33Å; L314-M317 WeakPolarHBondContact O-CB 3.43Å; L314-M317 PolarHBondContact O-N 3.31Å; L315-M317 PolarHBondContact O-N 3.5Å; M317-R319 HydrophobicContact CB-CG 4.14Å; M317-R319 PolarHBondContact O-N 3.32Å; M317-W320 PolarHBondContact O-N 2.81Å; M317-N321 PolarHBondContact O-N 3.19Å
318T71.4Confident77.9Confident75 Ų7571.7 Ų71.746%0.4640%0.398SS..THydrogen-bonded Turntrans-56.2-25.8174.952.30000113.8W320 V324T318-W320 VanDerWaalsContact C-N 3.28Å; T318-W320 PolarHBondContact O-N 3.34Å; T318-V324 HydrophobicContact CG2-CB 3.9Å; T318-V324 HydrophobicContact CG2-CG1 3.53Å
319R77.6Confident77.5Confident159 Ų15973.6 Ų73.660%0.641%0.414SS*.THydrogen-bonded Turntrans-68.3-27.6178.183.1178.589.9176.6-1.6112.7Q113 M317Q113-R319 PolarHBondContact NE2-O 3.37Å; M317-R319 HydrophobicContact CB-CG 4.14Å; M317-R319 PolarHBondContact O-N 3.32Å
320W79.8Confident76.5Confident102 Ų10280.1 Ų80.139%0.38642%0.422SS..THydrogen-bonded Turntrans-113.9-19.6-175.1-66.8114.5000113.2M116 L314 M317 T318M116-W320 HydrophobicContact CE-CB 3.6Å; M116-W320 WeakPolarHBondContact CE-O 3.26Å; M116-W320 HydrophobicContact SD-CB 4.26Å; M116-W320 HydrophobicContact SD-CE3 4.34Å; L314-W320 HydrophobicContact CB-CB 4.32Å; L314-W320 HydrophobicContact CB-CG 4.29Å; L314-W320 HydrophobicContact CD2-CG 4.33Å; L314-W320 WeakPolarHBondContact O-CB 3.43Å; M317-W320 PolarHBondContact O-N 2.81Å; T318-W320 VanDerWaalsContact C-N 3.28Å; T318-W320 PolarHBondContact O-N 3.34Å
321N84.8Confident75.3Confident28 Ų2882.6 Ų82.615%0.1544%0.438CS..  trans-122.2105.9178-175.6-3.6000110.8L315 M317 G323 V324L315-N321 HydrophobicContact CD2-CB 4.19Å; L315-N321 VanDerWaalsContact O-CB 3.24Å; L315-N321 WeakPolarHBondContact O-CB 3.29Å; L315-N321 PolarHBondContact O-ND2 3.3Å; M317-N321 PolarHBondContact O-N 3.19Å; N321-G323 PolarHBondContact O-N 2.89Å; N321-G323 WeakPolarHBondContact OD1-CA 3.46Å; N321-G323 PolarHBondContact OD1-N 3.29Å; N321-V324 HydrophobicContact CB-CG2 3.96Å; N321-V324 PolarHBondContact O-N 3.48Å
322A85.8Confident74.1Confident7 Ų787 Ų876%0.05847%0.474CS..THydrogen-bonded Turntrans-64-19.9177.100000113.2L84 Y85 Q113 L114 V324L84-A322 HydrophobicContact CB-CB 4.05Å; Y85-A322 VanDerWaalsContact CA-O 3.3Å; Y85-A322 WeakPolarHBondContact CA-O 3.47Å; Y85-A322 WeakPolarHBondContact CD2-O 3.12Å; Q113-A322 HydrophobicContact CB-CB 4.28Å; Q113-A322 WeakPolarHBondContact O-CB 3.5Å; Q113-A322 PolarHBondContact O-N 3.45Å; L114-A322 HydrophobicContact CD2-CB 3.79Å; L114-A322 HydrophobicContact CG-CB 4.37Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 2.93Å
323G82.2Confident72.9Confident33 Ų3388.1 Ų88.134%0.3449%0.486SS..THydrogen-bonded Turntrans-74.9-12.4176.600000114.5Y85 S88 N321Y85-G323 WeakPolarHBondContact CE2-O 3.4Å; S88-G323 WeakPolarHBondContact OG-CA 3.45Å; N321-G323 PolarHBondContact O-N 2.89Å; N321-G323 WeakPolarHBondContact OD1-CA 3.46Å; N321-G323 PolarHBondContact OD1-N 3.29Å
324V83.4Confident71.6Confident47 Ų4788.4 Ų88.429%0.28549%0.494SS..SBendtrans-82.4123.5174-175.70000108.7T318 N321 A322 P326T318-V324 HydrophobicContact CG2-CB 3.9Å; T318-V324 HydrophobicContact CG2-CG1 3.53Å; N321-V324 HydrophobicContact CB-CG2 3.96Å; N321-V324 PolarHBondContact O-N 3.48Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 2.93Å; V324-P326 WeakPolarHBondContact O-CD 3.2Å
325R79.7Confident70.6Confident195 Ų19595.1 Ų95.174%0.73652%0.524SS*.PPolyproline II helixtrans-55.9123.4180-173.2-179.7-178.8-169.12.2110Y85 G327Y85-R325 HydrophobicContact CE2-CB 4.02Å; R325-G327 PolarHBondContact O-N 3.04Å
326P76.9Confident69.5Low37 Ų3798.5 Ų98.524%0.2454%0.542CS..PPolyproline II helixtrans-57.5133.2173.7-24.334.1000110.5A81 L82 V324A81-P326 HydrophobicContact CB-CG 4.17Å; L82-P326 HydrophobicContact CD2-CG 4.33Å; V324-P326 WeakPolarHBondContact O-CD 3.2Å
327G74.1Confident69.3Low52 Ų5297.7 Ų97.754%0.53654%0.536SS..PPolyproline II helixtrans-63.8159.5174.200000111.7R325 V329R325-G327 PolarHBondContact O-N 3.04Å; G327-V329 PolarHBondContact O-N 3.44Å
328P71.8Confident68.7Low108 Ų108100.9 Ų100.970%0.70155%0.553SS**PPolyproline II helixtrans-57.4132.8173.823.5-31.2000109.5R330P328-R330 VanDerWaalsContact C-N 3.29Å; P328-R330 PolarHBondContact O-N 3.4Å
329V60.9Low68.3Low146 Ų146104.5 Ų104.589%0.88557%0.565SS**  trans-65.694.2173.3-178.70000107.1G327G327-V329 PolarHBondContact O-N 3.44Å
330R55.8Low67.8Low214 Ų21498.3 Ų98.381%0.80855%0.548SS*.  trans-78.8119.4167.5-67.9-174.2171.7-171.8-2.6105.9P328 A332P328-R330 VanDerWaalsContact C-N 3.29Å; P328-R330 PolarHBondContact O-N 3.4Å; R330-A332 PolarHBondContact O-N 3.34Å
331T53.8Low67.1Low123 Ų12397.3 Ų97.376%0.75555%0.55SS*.  trans-52.4139162.244.20000107.2V333T331-V333 PolarHBondContact O-N 2.97Å
332A51Low66.2Low95 Ų95102.1 Ų102.179%0.78557%0.569SS**  trans-53.3111.4175.300000106.9R330 P334R330-A332 PolarHBondContact O-N 3.34Å; A332-P334 VanDerWaalsContact O-CD 3.3Å; A332-P334 WeakPolarHBondContact O-CD 3.49Å; A332-P334 VanDerWaalsContact O-N 3.14Å
333V52.6Low65.2Low117 Ų117104.2 Ų104.271%0.70959%0.587SS**  trans-59.4121.1169.2178.30000103.9T331 Q335T331-V333 PolarHBondContact O-N 2.97Å; V333-Q335 PolarHBondContact O-N 3.16Å
334P52.3Low64.3Low111 Ų111106.3 Ų106.372%0.72160%0.601SS**  trans-51.5120.2174.4-22.531.7000106.9A332 L336A332-P334 VanDerWaalsContact O-CD 3.3Å; A332-P334 WeakPolarHBondContact O-CD 3.49Å; A332-P334 VanDerWaalsContact O-N 3.14Å; P334-L336 PolarHBondContact O-N 3.09Å
335Q59.8Low63.3Low180 Ų180111.7 Ų111.784%0.84162%0.623SS**  trans-57.4112.5171.7-71.4-76.4-15.700105.4V333 S337V333-Q335 PolarHBondContact O-N 3.16Å; Q335-S337 PolarHBondContact O-N 3.15Å
336L55.6Low62.2Low99 Ų99111.1 Ų111.152%0.51862%0.621SS.*  trans-52.1129.4175.1-81.9158.2000107P334 A340 L341P334-L336 PolarHBondContact O-N 3.09Å; L336-A340 HydrophobicContact CB-CB 4.06Å; L336-A340 HydrophobicContact CD2-CB 3.49Å; L336-A340 VanDerWaalsContact CD2-CB 3.49Å; L336-A340 HydrophobicContact CG-CB 4.39Å; L336-L341 HydrophobicContact CB-CD2 4.2Å; L336-L341 HydrophobicContact CB-CG 3.85Å; L336-L341 HydrophobicContact CD1-CD2 4.29Å
337S69.7Low61.2Low63 Ų63113.6 Ų113.644%0.44164%0.639SS.*  trans-54.2155.8174.367.50000109.6Q335 E339 A340 L341Q335-S337 PolarHBondContact O-N 3.15Å; S337-E339 PolarHBondContact O-N 2.94Å; S337-A340 WeakPolarHBondContact O-CA 3.4Å; S337-A340 PolarHBondContact O-N 3.19Å; S337-A340 WeakPolarHBondContact OG-CB 3.31Å; S337-A340 PolarHBondContact OG-N 3.24Å; S337-L341 PolarHBondContact O-N 2.92Å
338L64.7Low60.2Low127 Ų127121 Ų12167%0.66566%0.66SS**Hα-helixtrans-51.8-33178.4-164.390.9000111.8K342L338-K342 WeakPolarHBondContact O-CG 3.41Å; L338-K342 PolarHBondContact O-N 3.37Å; L338-K342 VanDerWaalsContact O-N 3.1Å
339E62.6Low59.3Low152 Ų152127.3 Ų127.371%0.7167%0.669SS**Hα-helixtrans-70.5-41.4175.7-68.2163.9169.100112.5S337 K342 A343S337-E339 PolarHBondContact O-N 2.94Å; E339-K342 PolarHBondContact O-N 3.06Å; E339-A343 WeakPolarHBondContact O-CB 3.48Å; E339-A343 PolarHBondContact O-N 3.48Å
340A66.4Low58.7Low29 Ų29124.3 Ų124.324%0.2466%0.655CS.*Hα-helixtrans-71.3-32.717800000112.2L336 S337 A343 A344L336-A340 HydrophobicContact CB-CB 4.06Å; L336-A340 HydrophobicContact CD2-CB 3.49Å; L336-A340 VanDerWaalsContact CD2-CB 3.49Å; L336-A340 HydrophobicContact CG-CB 4.39Å; S337-A340 WeakPolarHBondContact O-CA 3.4Å; S337-A340 PolarHBondContact O-N 3.19Å; S337-A340 WeakPolarHBondContact OG-CB 3.31Å; S337-A340 PolarHBondContact OG-N 3.24Å; A340-A343 PolarHBondContact O-N 3.19Å; A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 3.39Å
341L65.8Low58.7Low81 Ų81120 Ų12042%0.42465%0.653SS.*Hα-helixtrans-65.4-43.8169.2-79.2169000111.9L336 S337 A343 A344 Q345L336-L341 HydrophobicContact CB-CD2 4.2Å; L336-L341 HydrophobicContact CB-CG 3.85Å; L336-L341 HydrophobicContact CD1-CD2 4.29Å; S337-L341 PolarHBondContact O-N 2.92Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A343 PolarHBondContact O-N 2.79Å; L341-A344 PolarHBondContact O-N 3.33Å; L341-Q345 WeakPolarHBondContact O-CG 3.27Å; L341-Q345 PolarHBondContact O-N 2.99Å; L341-Q345 VanDerWaalsContact O-N 3.12Å
342K65.4Low58.5Low128 Ų128119.7 Ų119.756%0.55765%0.653SS**Hα-helixtrans-63.8-37.6174.6-78175.2-179.41760112.2L338 E339 Q345L338-K342 WeakPolarHBondContact O-CG 3.41Å; L338-K342 PolarHBondContact O-N 3.37Å; L338-K342 VanDerWaalsContact O-N 3.1Å; E339-K342 PolarHBondContact O-N 3.06Å; K342-Q345 PolarHBondContact O-N 3.47Å
343A65.1Low58.6Low51 Ų51126.9 Ų126.942%0.42166%0.66SS.*Hα-helixtrans-69.1-40.6176.700000112E339 A340 L341 Q345 R346E339-A343 WeakPolarHBondContact O-CB 3.48Å; E339-A343 PolarHBondContact O-N 3.48Å; A340-A343 PolarHBondContact O-N 3.19Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A343 PolarHBondContact O-N 2.79Å; A343-Q345 VanDerWaalsContact C-N 3.26Å; A343-Q345 PolarHBondContact O-N 2.99Å; A343-R346 WeakPolarHBondContact O-CB 3.28Å; A343-R346 PolarHBondContact O-N 3.02Å; A343-R346 VanDerWaalsContact O-N 3.17Å
344A63.1Low58.5Low77 Ų77127.6 Ų127.664%0.63666%0.658SS**Hα-helixtrans-68.1-23.4176.700000113.5A340 L341A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 3.39Å; L341-A344 PolarHBondContact O-N 3.33Å
345Q62.3Low58.3Low161 Ų161130.3 Ų130.375%0.75267%0.666SS**THydrogen-bonded Turntrans-84.4-5.2173.7-74.6-177.9-15.900114.1L341 K342 A343 S347L341-Q345 WeakPolarHBondContact O-CG 3.27Å; L341-Q345 PolarHBondContact O-N 2.99Å; L341-Q345 VanDerWaalsContact O-N 3.12Å; K342-Q345 PolarHBondContact O-N 3.47Å; A343-Q345 VanDerWaalsContact C-N 3.26Å; A343-Q345 PolarHBondContact O-N 2.99Å; Q345-S347 PolarHBondContact O-N 3.45Å; Q345-S347 VanDerWaalsContact O-N 3.14Å
346R56.3Low57.8Low182 Ų182127.4 Ų127.469%0.68766%0.661SS**  trans-73.8106172.4-69.5-179-178.9152.2-0.3109A343A343-R346 WeakPolarHBondContact O-CB 3.28Å; A343-R346 PolarHBondContact O-N 3.02Å; A343-R346 VanDerWaalsContact O-N 3.17Å
347S55.3Low57.4Low89 Ų89132.5 Ų132.562%0.62268%0.679SS**  trans-62.4148.7165.656.40000109.7Q345 R349Q345-S347 PolarHBondContact O-N 3.45Å; Q345-S347 VanDerWaalsContact O-N 3.14Å; S347-R349 PolarHBondContact O-N 3.19Å
348Q54.9Low56.1Low209 Ų209137.9 Ų137.998%0.97770%0.702SS**THydrogen-bonded Turntrans-64.526.4-175.5-68.3-148.3-22.300115.5
349R51.5Low55Low239 Ų239135.4 Ų135.490%0.90271%0.707SS**THydrogen-bonded Turntrans-127.86.8-176.7-107.8-176.2-175.9-173.21.1115.8S347S347-R349 PolarHBondContact O-N 3.19Å
350S48Very low53.9Low83 Ų83134 Ų13458%0.5871%0.714SS**  trans-94.8105.7171.142.70000111.1
351T55.9Low52.7Low124 Ų124142.1 Ų142.176%0.76177%0.769SS**  trans-63.1139.2169.6440000110.4R353T351-R353 PolarHBondContact O-N 3.03Å
352P50.3Low52Low116 Ų116145.2 Ų145.275%0.75379%0.786SS**  trans-64.8123.3178.526.7-32.1000109.8I354P352-I354 VanDerWaalsContact C-N 3.27Å; P352-I354 PolarHBondContact O-N 3.33Å; P352-I354 VanDerWaalsContact O-N 3.07Å
353R52.3Low51.3Low247 Ų247146.1 Ų146.193%0.93280%0.798SS**  trans-79.378.7167.8-73.3-173.9178.7-172.6-0.6108.8T351T351-R353 PolarHBondContact O-N 3.03Å
354I50.5Low50.6Low131 Ų131151.3 Ų151.367%0.67282%0.819SS**  trans-129110.6161-63.3177.7000106.2P352 V356P352-I354 VanDerWaalsContact C-N 3.27Å; P352-I354 PolarHBondContact O-N 3.33Å; P352-I354 VanDerWaalsContact O-N 3.07Å; I354-V356 PolarHBondContact O-N 3.43Å
355N48.3Very low49.8Very low169 Ų169155.7 Ų155.790%0.90483%0.83SS**  trans-69.996.9170.8-81.5-5.5000108.3F357N355-F357 PolarHBondContact O-N 3.49Å
356V50.1Low49Very low119 Ų119155.4 Ų155.472%0.72184%0.835SS**  trans-85.692.2159.2-102.60000106.6I354I354-V356 PolarHBondContact O-N 3.43Å
357F47.5Very low48.5Very low206 Ų206153.6 Ų153.690%0.90484%0.844SS**  trans-179.4103.5149.5-93.1-64.5000109.9N355N355-F357 PolarHBondContact O-N 3.49Å
358L41.6Very low48.1Very low176 Ų176158.2 Ų158.292%0.92186%0.86SS**  trans178.696.6157.5-95.9150.8000102.3
359G42.3Very low47.5Very low75 Ų75154.3 Ų154.377%0.77385%0.851SS**  cis90.892.14700000108.2
360S39.1Very low47.2Very low121 Ų121147.3 Ų147.385%0.84685%0.847SS**  trans-150.8122.7158.456.20000109.6
361S40.6Very low47.1Very low200 Ų200153.1 Ų153.1100%1.39987%0.871SS**  trans-52.10173.6-48.90000115.1

Retrieved 361 of 361 residues in 255.8 ms (Link to these results)

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