A0A3Q0KIK5_SCHMA Loading...

Ribosome biogenesis protein NOP53

AlphaFold DB , UniProt , Accession A0A3Q0KIK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 308 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
1M57.4Low73.3Confident120 Ų120143.5 Ų143.559%0.59164%0.64SS**  0-17.50-72.9-177.680.200116.8R3 L4 K9 W12M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.23Å; M1-R3 VanDerWaalsContact O-N 3.09Å; M1-L4 HydrophobicContact CG-CD1 4.46Å; M1-L4 PolarHBondContact O-N 3.39Å; M1-K9 VanDerWaalsContact O-CE 3.32Å; M1-K9 WeakPolarHBondContact O-CE 3.44Å; M1-W12 HydrophobicContact CE-CB 3.81Å
2K67.2Low73.4Confident204 Ų204141 Ų14189%0.88762%0.622SS**THydrogen-bonded Turntrans-57.9-29.1-169.2-69.4-177.3178.5177.60115.4
3R75.6Confident73.6Confident252 Ų252139.4 Ų139.495%0.95162%0.617SS**THydrogen-bonded Turntrans-94.86.2-175.7-59-173-176.8-169.82.1115.6M1M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.23Å; M1-R3 VanDerWaalsContact O-N 3.09Å
4L69.6Low73.4Confident53 Ų53142.8 Ų142.828%0.27763%0.626SS.*SBendtrans-85.1139.2178.7-67.3171.7000111M1 K8 K9 W12M1-L4 HydrophobicContact CG-CD1 4.46Å; M1-L4 PolarHBondContact O-N 3.39Å; L4-K8 HydrophobicContact CB-CB 4.1Å; L4-K8 HydrophobicContact CD2-CB 4.24Å; L4-K8 HydrophobicContact CD2-CD 3.93Å; L4-K9 HydrophobicContact CB-CG 3.9Å; L4-K9 VanDerWaalsContact O-CE 3.31Å; L4-K9 WeakPolarHBondContact O-CE 3.28Å; L4-W12 HydrophobicContact CD1-CG 4.37Å
5G76.4Confident73.1Confident48 Ų48137.7 Ų137.750%0.49561%0.614SS.*  trans-59.9156.2171.900000112.2N7 K8 K9G5-N7 PolarHBondContact O-N 2.83Å; G5-N7 VanDerWaalsContact O-N 3.13Å; G5-K8 PolarHBondContact O-N 2.89Å; G5-K9 PolarHBondContact O-N 3.07Å
6K78.1Confident72.8Confident163 Ų163137.5 Ų137.571%0.70961%0.608SS**Hα-helixtrans-47.9-44.7-175.7-65.6177-175.5168.70111.8K9 R10 E153K6-K9 PolarHBondContact O-N 3.5Å; K6-R10 PolarHBondContact O-N 2.8Å; K6-R10 VanDerWaalsContact O-N 3.13Å; K6-E153 IonicContact NZ-OE1 3.56Å; K6-E153 PolarHBondContact NZ-OE1 2.75Å
7N76.3Confident72.9Confident135 Ų135139.8 Ų139.872%0.72261%0.612SS**Hα-helixtrans-67.9-42.6-178.9-148.9-13.2000113G5 K9 R10 R11G5-N7 PolarHBondContact O-N 2.83Å; G5-N7 VanDerWaalsContact O-N 3.13Å; N7-K9 PolarHBondContact O-N 3.04Å; N7-R10 PolarHBondContact O-N 3.42Å; N7-R11 PolarHBondContact O-N 2.79Å; N7-R11 VanDerWaalsContact O-N 3.13Å
8K76.2Confident72.8Confident135 Ų135137.8 Ų137.859%0.58761%0.609SS**Hα-helixtrans-63.4-41.4173.9-75.6-170.1179.3-177.50111.2L4 G5 R10 R11 W12L4-K8 HydrophobicContact CB-CB 4.1Å; L4-K8 HydrophobicContact CD2-CB 4.24Å; L4-K8 HydrophobicContact CD2-CD 3.93Å; G5-K8 PolarHBondContact O-N 2.89Å; K8-R10 PolarHBondContact O-N 2.91Å; K8-R11 PolarHBondContact O-N 2.96Å; K8-W12 PolarHBondContact O-N 2.8Å
9K78Confident73Confident81 Ų81133.8 Ų133.835%0.35259%0.593SS.*Hα-helixtrans-59.6-46177.3-76.5-175.4-179.1174.50112.6M1 L4 G5 K6 N7 R11 W12 Q13M1-K9 VanDerWaalsContact O-CE 3.32Å; M1-K9 WeakPolarHBondContact O-CE 3.44Å; L4-K9 HydrophobicContact CB-CG 3.9Å; L4-K9 VanDerWaalsContact O-CE 3.31Å; L4-K9 WeakPolarHBondContact O-CE 3.28Å; G5-K9 PolarHBondContact O-N 3.07Å; K6-K9 PolarHBondContact O-N 3.5Å; N7-K9 PolarHBondContact O-N 3.04Å; K9-R11 VanDerWaalsContact C-N 3.33Å; K9-R11 PolarHBondContact O-N 3.5Å; K9-W12 PolarHBondContact O-N 2.8Å; K9-Q13 WeakPolarHBondContact O-CG 3.29Å; K9-Q13 PolarHBondContact O-N 3.36Å
10R75.9Confident73.3Confident193 Ų193133.7 Ų133.773%0.72860%0.599SS**Hα-helixtrans-58.2-45.1175.1-86.8-172.3172.5179.6-1.9111.8K6 N7 K8 W12 Q13 Y14K6-R10 PolarHBondContact O-N 2.8Å; K6-R10 VanDerWaalsContact O-N 3.13Å; N7-R10 PolarHBondContact O-N 3.42Å; K8-R10 PolarHBondContact O-N 2.91Å; R10-W12 PolarHBondContact O-N 2.75Å; R10-Q13 PolarHBondContact O-N 3.28Å; R10-Y14 PolarHBondContact O-N 3.05Å
11R75.6Confident73.6Confident195 Ų195129.2 Ų129.274%0.73658%0.583SS**Hα-helixtrans-61.6-42.9178.4-164.1173.8167.2-171-5.1111.9N7 K8 K9 Y14 C15N7-R11 PolarHBondContact O-N 2.79Å; N7-R11 VanDerWaalsContact O-N 3.13Å; K8-R11 PolarHBondContact O-N 2.96Å; K9-R11 VanDerWaalsContact C-N 3.33Å; K9-R11 PolarHBondContact O-N 3.5Å; R11-Y14 PolarHBondContact O-N 2.96Å; R11-C15 PolarHBondContact O-N 3.35Å; R11-C15 VanDerWaalsContact O-N 3.13Å; R11-C15 PolarHBondContact O-SG 2.77Å
12W74.5Confident74.7Confident113 Ų113129.5 Ų129.543%0.42858%0.581SS.*Hα-helixtrans-66.8-42.8174.9-79.3104.3000112.7M1 L4 K8 K9 R10 Y14 C15 Y16M1-W12 HydrophobicContact CE-CB 3.81Å; L4-W12 HydrophobicContact CD1-CG 4.37Å; K8-W12 PolarHBondContact O-N 2.8Å; K9-W12 PolarHBondContact O-N 2.8Å; R10-W12 PolarHBondContact O-N 2.75Å; W12-Y14 PolarHBondContact O-N 3.05Å; W12-C15 WeakPolarHBondContact O-CB 3.28Å; W12-C15 PolarHBondContact O-N 3.32Å; W12-Y16 HydrophobicContact CB-CD2 4.4Å; W12-Y16 HydrophobicContact CB-CE2 4.28Å; W12-Y16 HydrophobicContact CD2-CE2 4.29Å; W12-Y16 HydrophobicContact CE3-CD2 4.33Å; W12-Y16 AromaticContact CE3-CE2 3.44Å; W12-Y16 HydrophobicContact CE3-CE2 3.44Å; W12-Y16 VanDerWaalsContact CE3-CE2 3.44Å; W12-Y16 AromaticContact CE3-CZ 3.89Å; W12-Y16 HydrophobicContact CZ3-CE2 4.13Å; W12-Y16 WeakPolarHBondContact O-CD2 3.26Å; W12-Y16 PolarHBondContact O-N 3.49Å
13Q76Confident75.3Confident120 Ų120124.2 Ų124.256%0.56156%0.562SS**Hα-helixtrans-56.7-37.4175-80.3177.5-27.300112K9 R10 Y16 R17K9-Q13 WeakPolarHBondContact O-CG 3.29Å; K9-Q13 PolarHBondContact O-N 3.36Å; R10-Q13 PolarHBondContact O-N 3.28Å; Q13-Y16 PolarHBondContact O-N 3.48Å; Q13-R17 PolarHBondContact O-N 3.04Å
14Y71.1Confident75.5Confident187 Ų187117.8 Ų117.873%0.73354%0.543SS*.Hα-helixtrans-68.9-37.6174.5-162.9-90.3000112.6R10 R11 W12 Y16 R17R10-Y14 PolarHBondContact O-N 3.05Å; R11-Y14 PolarHBondContact O-N 2.96Å; W12-Y14 PolarHBondContact O-N 3.05Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-Y16 PolarHBondContact O-N 3.26Å; Y14-R17 PolarHBondContact O-N 2.82Å
15C69.3Low76.1Confident67 Ų67119.6 Ų119.645%0.45355%0.553SS.*Hα-helixtrans-65.8-34175.3-63.80000112.9R11 W12 I19R11-C15 PolarHBondContact O-N 3.35Å; R11-C15 VanDerWaalsContact O-N 3.13Å; R11-C15 PolarHBondContact O-SG 2.77Å; W12-C15 WeakPolarHBondContact O-CB 3.28Å; W12-C15 PolarHBondContact O-N 3.32Å; C15-I19 WeakPolarHBondContact O-CD1 3.44Å; C15-I19 VanDerWaalsContact O-CG1 3.32Å; C15-I19 WeakPolarHBondContact O-CG1 3.12Å
16Y67.4Low76.3Confident134 Ų134120.1 Ų120.153%0.52555%0.552SS.*Hα-helixtrans-84.8-21.1178.5-69.9-69.8000113.6W12 Q13 Y14 D18 I19W12-Y16 HydrophobicContact CB-CD2 4.4Å; W12-Y16 HydrophobicContact CB-CE2 4.28Å; W12-Y16 HydrophobicContact CD2-CE2 4.29Å; W12-Y16 HydrophobicContact CE3-CD2 4.33Å; W12-Y16 AromaticContact CE3-CE2 3.44Å; W12-Y16 HydrophobicContact CE3-CE2 3.44Å; W12-Y16 VanDerWaalsContact CE3-CE2 3.44Å; W12-Y16 AromaticContact CE3-CZ 3.89Å; W12-Y16 HydrophobicContact CZ3-CE2 4.13Å; W12-Y16 WeakPolarHBondContact O-CD2 3.26Å; W12-Y16 PolarHBondContact O-N 3.49Å; Q13-Y16 PolarHBondContact O-N 3.48Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-Y16 PolarHBondContact O-N 3.26Å; Y16-D18 PolarHBondContact O-N 3.43Å; Y16-I19 HydrophobicContact CD1-CD1 3.54Å; Y16-I19 HydrophobicContact CE1-CD1 4.18Å; Y16-I19 HydrophobicContact CG-CD1 4.32Å; Y16-I19 PolarHBondContact O-N 3.23Å
17R74.1Confident76.5Confident177 Ų177115.5 Ų115.567%0.66854%0.538SS*.THydrogen-bonded Turntrans-61.5134.7168.5-92-172.1177.9-174.1-2108.8Q13 Y14 I19Q13-R17 PolarHBondContact O-N 3.04Å; Y14-R17 PolarHBondContact O-N 2.82Å; R17-I19 PolarHBondContact O-N 3.08Å
18D71Confident76.7Confident104 Ų104113.4 Ų113.456%0.55653%0.526SS*.THydrogen-bonded Turntrans6719.4174.8-47.5-30.4000114.1Y16 S21 K22Y16-D18 PolarHBondContact O-N 3.43Å; D18-S21 VanDerWaalsContact CA-OG 3.22Å; D18-S21 WeakPolarHBondContact CA-OG 3.14Å; D18-S21 VanDerWaalsContact CB-OG 3.25Å; D18-S21 WeakPolarHBondContact CB-OG 3.41Å; D18-S21 PolarHBondContact O-OG 2.75Å; D18-K22 WeakPolarHBondContact O-CB 3.36Å; D18-K22 WeakPolarHBondContact O-CD 2.99Å; D18-K22 WeakPolarHBondContact O-CG 3.49Å; D18-K22 PolarHBondContact O-N 3Å
19I77.1Confident76.7Confident61 Ų61109 Ų10931%0.31351%0.507SS..Hα-helixtrans-66.7-46.2170.4-69.7-174.1000110.1C15 Y16 R17 S21 K22 I23C15-I19 WeakPolarHBondContact O-CD1 3.44Å; C15-I19 VanDerWaalsContact O-CG1 3.32Å; C15-I19 WeakPolarHBondContact O-CG1 3.12Å; Y16-I19 HydrophobicContact CD1-CD1 3.54Å; Y16-I19 HydrophobicContact CE1-CD1 4.18Å; Y16-I19 HydrophobicContact CG-CD1 4.32Å; Y16-I19 PolarHBondContact O-N 3.23Å; R17-I19 PolarHBondContact O-N 3.08Å; I19-S21 VanDerWaalsContact C-N 3.31Å; I19-S21 PolarHBondContact O-N 3.36Å; I19-K22 CarbonylContact O-C 3.6Å; I19-K22 PolarHBondContact O-N 3.05Å; I19-K22 VanDerWaalsContact O-N 3.14Å; I19-I23 HydrophobicContact CG2-CD1 3.62Å; I19-I23 HydrophobicContact CG2-CG1 4.15Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.23Å; I19-I23 PolarHBondContact O-N 3.41Å
20D80Confident76.8Confident131 Ų131111.6 Ų111.670%0.70152%0.518SS*.Hα-helixtrans-61.6-41-179.7-63.7-31.5000111.4I23 Q24D20-I23 PolarHBondContact O-N 3.17Å; D20-Q24 VanDerWaalsContact O-CG 3.3Å; D20-Q24 WeakPolarHBondContact O-CG 3.47Å; D20-Q24 PolarHBondContact O-N 3.45Å
21S79Confident76.9Confident40 Ų40110.6 Ų110.628%0.2851%0.514SS..Hα-helixtrans-66.6-39.4174.6540000112.3D18 I19 I23 Q24 D25D18-S21 VanDerWaalsContact CA-OG 3.22Å; D18-S21 WeakPolarHBondContact CA-OG 3.14Å; D18-S21 VanDerWaalsContact CB-OG 3.25Å; D18-S21 WeakPolarHBondContact CB-OG 3.41Å; D18-S21 PolarHBondContact O-OG 2.75Å; I19-S21 VanDerWaalsContact C-N 3.31Å; I19-S21 PolarHBondContact O-N 3.36Å; S21-I23 VanDerWaalsContact C-N 3.32Å; S21-I23 PolarHBondContact O-N 3.31Å; S21-Q24 PolarHBondContact O-N 2.9Å; S21-D25 WeakPolarHBondContact O-CB 3.12Å; S21-D25 PolarHBondContact O-N 2.91Å
22K80Confident76.9Confident126 Ų126103.5 Ų103.555%0.54849%0.49SS..Hα-helixtrans-64.4-35.5173.1-75.5169.3-173.6168.60112.9D18 I19 A26D18-K22 WeakPolarHBondContact O-CB 3.36Å; D18-K22 WeakPolarHBondContact O-CD 2.99Å; D18-K22 WeakPolarHBondContact O-CG 3.49Å; D18-K22 PolarHBondContact O-N 3Å; I19-K22 CarbonylContact O-C 3.6Å; I19-K22 PolarHBondContact O-N 3.05Å; I19-K22 VanDerWaalsContact O-N 3.14Å; K22-A26 VanDerWaalsContact O-CB 3.26Å; K22-A26 WeakPolarHBondContact O-CB 3.45Å; K22-A26 PolarHBondContact O-N 3.05Å
23I80.8Confident76.8Confident93 Ų93101.7 Ų101.748%0.47749%0.489SS..Hα-helixtrans-66.2-45.6174.5-69.4168.8000109.3I19 D20 S21 A26 V27I19-I23 HydrophobicContact CG2-CD1 3.62Å; I19-I23 HydrophobicContact CG2-CG1 4.15Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.23Å; I19-I23 PolarHBondContact O-N 3.41Å; D20-I23 PolarHBondContact O-N 3.17Å; S21-I23 VanDerWaalsContact C-N 3.32Å; S21-I23 PolarHBondContact O-N 3.31Å; I23-A26 PolarHBondContact O-N 3.19Å; I23-V27 HydrophobicContact CG2-CG2 4.5Å; I23-V27 WeakPolarHBondContact O-CG2 3.27Å; I23-V27 PolarHBondContact O-N 3.31Å
24Q79.8Confident76.8Confident118 Ų118100.8 Ų100.855%0.55149%0.487SS*.Hα-helixtrans-60.2-47.3175-70.2-67.7-20.500111.7D20 S21 A26 V27 I28D20-Q24 VanDerWaalsContact O-CG 3.3Å; D20-Q24 WeakPolarHBondContact O-CG 3.47Å; D20-Q24 PolarHBondContact O-N 3.45Å; S21-Q24 PolarHBondContact O-N 2.9Å; Q24-A26 VanDerWaalsContact C-N 3.29Å; Q24-A26 PolarHBondContact O-N 2.86Å; Q24-V27 PolarHBondContact O-N 2.86Å; Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.47Å
25D80.5Confident77Confident91 Ų9197.9 Ų97.949%0.48748%0.48SS..Hα-helixtrans-58.3-41.9175.6-70.3-16.7000110.9S21 I28 H29S21-D25 WeakPolarHBondContact O-CB 3.12Å; S21-D25 PolarHBondContact O-N 2.91Å; D25-I28 PolarHBondContact O-N 3.15Å; D25-H29 VanDerWaalsContact O-CB 3.25Å; D25-H29 WeakPolarHBondContact O-CB 3.3Å; D25-H29 PolarHBondContact O-N 2.85Å
26A82Confident76.9Confident58 Ų5899.5 Ų99.548%0.47948%0.484SS..Hα-helixtrans-67.6-37.5177.400000113.1K22 I23 Q24 H29 K30K22-A26 VanDerWaalsContact O-CB 3.26Å; K22-A26 WeakPolarHBondContact O-CB 3.45Å; K22-A26 PolarHBondContact O-N 3.05Å; I23-A26 PolarHBondContact O-N 3.19Å; Q24-A26 VanDerWaalsContact C-N 3.29Å; Q24-A26 PolarHBondContact O-N 2.86Å; A26-H29 PolarHBondContact O-N 2.82Å; A26-K30 WeakPolarHBondContact O-CB 3.22Å; A26-K30 PolarHBondContact O-N 3.22Å
27V81.4Confident76.9Confident67 Ų6796.1 Ų96.141%0.40647%0.473SS..Hα-helixtrans-64.9-43.9174.6169.50000110.6I23 Q24 K30 R31I23-V27 HydrophobicContact CG2-CG2 4.5Å; I23-V27 WeakPolarHBondContact O-CG2 3.27Å; I23-V27 PolarHBondContact O-N 3.31Å; Q24-V27 PolarHBondContact O-N 2.86Å; V27-K30 PolarHBondContact O-N 3.32Å; V27-R31 PolarHBondContact O-N 3.23Å
28I79.9Confident76.6Confident91 Ų9189.7 Ų89.747%0.46746%0.457SS..Hα-helixtrans-62.2-47.1175.1-66.5165.4000110Q24 D25 K30 R31 I32Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.47Å; D25-I28 PolarHBondContact O-N 3.15Å; I28-K30 VanDerWaalsContact C-N 3.29Å; I28-K30 PolarHBondContact O-N 3.44Å; I28-R31 PolarHBondContact O-N 2.83Å; I28-I32 HydrophobicContact CG2-CD1 3.76Å; I28-I32 HydrophobicContact CG2-CG1 4.45Å; I28-I32 VanDerWaalsContact O-CG1 3.29Å; I28-I32 WeakPolarHBondContact O-CG1 3.31Å; I28-I32 PolarHBondContact O-N 3.23Å
29H78.1Confident76.2Confident42 Ų4290.1 Ų90.119%0.19446%0.456CS..Hα-helixtrans-59.6-39.3178.5-155.8-62.6000111.8D25 A26 I33 Q39 F304D25-H29 VanDerWaalsContact O-CB 3.25Å; D25-H29 WeakPolarHBondContact O-CB 3.3Å; D25-H29 PolarHBondContact O-N 2.85Å; A26-H29 PolarHBondContact O-N 2.82Å; H29-I33 WeakPolarHBondContact ND1-CD1 3.2Å; H29-I33 VanDerWaalsContact O-CG1 3.3Å; H29-I33 WeakPolarHBondContact O-CG1 3.29Å; H29-I33 PolarHBondContact O-N 3.14Å; H29-I33 VanDerWaalsContact O-N 3.13Å; H29-Q39 PolarHBondContact NE2-NE2 2.97Å; H29-F304 HydrophobicContact CB-CZ 4.3Å; H29-F304 AromaticContact CD2-CZ 3.35Å; H29-F304 WeakPolarHBondContact CD2-CZ 3.43Å; H29-F304 AromaticContact CE1-CE1 3.37Å; H29-F304 WeakPolarHBondContact CE1-CE1 3.46Å; H29-F304 AromaticContact CE1-CZ 3.4Å; H29-F304 WeakPolarHBondContact CE1-CZ 3.33Å; H29-F304 AromaticContact CG-CZ 3.5Å; H29-F304 AromaticContact ND1-CE1 3.63Å; H29-F304 AromaticContact ND1-CZ 3.52Å; H29-F304 AromaticContact NE2-CE1 3.71Å; H29-F304 AromaticContact NE2-CZ 3.29Å; H29-F304 VanDerWaalsContact NE2-CZ 3.29Å; H29-F304 WeakPolarHBondContact NE2-CZ 3.05Å
30K80.3Confident75.3Confident135 Ų13589.5 Ų89.559%0.58745%0.454SS*.Hα-helixtrans-67.3-46.7175.4-167.6-175.1175.3-1720111.7A26 V27 I28 I32 I33 D34A26-K30 WeakPolarHBondContact O-CB 3.22Å; A26-K30 PolarHBondContact O-N 3.22Å; V27-K30 PolarHBondContact O-N 3.32Å; I28-K30 VanDerWaalsContact C-N 3.29Å; I28-K30 PolarHBondContact O-N 3.44Å; K30-I32 VanDerWaalsContact C-N 3.26Å; K30-I32 PolarHBondContact O-N 3.14Å; K30-I33 PolarHBondContact O-N 2.83Å; K30-I33 VanDerWaalsContact O-N 3.15Å; K30-D34 WeakPolarHBondContact O-CB 3.29Å; K30-D34 VanDerWaalsContact O-CG 3.22Å; K30-D34 PolarHBondContact O-N 3.4Å
31R77.8Confident74.1Confident173 Ų17388.1 Ų88.165%0.65346%0.455SS*.Hα-helixtrans-56.3-40.4175.1-83.2-172.1-174.3177.81.8112.6V27 I28 D34 H35V27-R31 PolarHBondContact O-N 3.23Å; I28-R31 PolarHBondContact O-N 2.83Å; R31-D34 PolarHBondContact O-N 2.84Å; R31-H35 PolarHBondContact O-N 3.44Å
32I74.6Confident72.8Confident45 Ų4590.8 Ų90.823%0.23147%0.47CS..Hα-helixtrans-65.7-45.1178.5-67165.8000110.2I28 K30 D34 H35 F37 F304I28-I32 HydrophobicContact CG2-CD1 3.76Å; I28-I32 HydrophobicContact CG2-CG1 4.45Å; I28-I32 VanDerWaalsContact O-CG1 3.29Å; I28-I32 WeakPolarHBondContact O-CG1 3.31Å; I28-I32 PolarHBondContact O-N 3.23Å; K30-I32 VanDerWaalsContact C-N 3.26Å; K30-I32 PolarHBondContact O-N 3.14Å; I32-D34 VanDerWaalsContact C-N 3.35Å; I32-D34 PolarHBondContact O-N 3.11Å; I32-H35 PolarHBondContact O-N 3.06Å; I32-H35 VanDerWaalsContact O-N 3.15Å; I32-F37 HydrophobicContact CG2-CB 3.45Å; I32-F37 VanDerWaalsContact CG2-CB 3.45Å; I32-F37 HydrophobicContact CG2-CD2 4.08Å; I32-F37 HydrophobicContact CG2-CG 3.78Å; I32-F37 WeakPolarHBondContact O-CB 3.41Å; I32-F37 WeakPolarHBondContact O-CD2 3.49Å; I32-F37 PolarHBondContact O-N 3.47Å; I32-F304 HydrophobicContact CB-CD1 4.37Å; I32-F304 HydrophobicContact CB-CE1 4.2Å; I32-F304 HydrophobicContact CB-CE2 4.5Å; I32-F304 HydrophobicContact CB-CZ 4.23Å; I32-F304 HydrophobicContact CD1-CD2 3.94Å; I32-F304 HydrophobicContact CD1-CE2 3.61Å; I32-F304 HydrophobicContact CD1-CZ 4.03Å; I32-F304 HydrophobicContact CG2-CB 3.82Å; I32-F304 HydrophobicContact CG2-CD1 3.4Å; I32-F304 HydrophobicContact CG2-CD2 3.86Å; I32-F304 HydrophobicContact CG2-CE1 3.71Å; I32-F304 HydrophobicContact CG2-CE2 4.15Å; I32-F304 HydrophobicContact CG2-CG 3.44Å; I32-F304 VanDerWaalsContact CG2-CG 3.44Å; I32-F304 HydrophobicContact CG2-CZ 4.03Å
33I72.9Confident71.4Confident76 Ų7692.3 Ų92.339%0.3948%0.483SS..Hα-helixtrans-62.6-40.8176.2-67.5166.1000111.8H29 K30 H35 D36 F304H29-I33 WeakPolarHBondContact ND1-CD1 3.2Å; H29-I33 VanDerWaalsContact O-CG1 3.3Å; H29-I33 WeakPolarHBondContact O-CG1 3.29Å; H29-I33 PolarHBondContact O-N 3.14Å; H29-I33 VanDerWaalsContact O-N 3.13Å; K30-I33 PolarHBondContact O-N 2.83Å; K30-I33 VanDerWaalsContact O-N 3.15Å; I33-H35 PolarHBondContact O-N 2.83Å; I33-D36 PolarHBondContact O-N 2.83Å; I33-F304 HydrophobicContact CG1-CE1 4.34Å
34D76.1Confident69.9Low100 Ų10092.6 Ų92.654%0.53549%0.493SS..Hα-helixtrans-66.8-14.5178-66.1-17.7000112.5K30 R31 I32K30-D34 WeakPolarHBondContact O-CB 3.29Å; K30-D34 VanDerWaalsContact O-CG 3.22Å; K30-D34 PolarHBondContact O-N 3.4Å; R31-D34 PolarHBondContact O-N 2.84Å; I32-D34 VanDerWaalsContact C-N 3.35Å; I32-D34 PolarHBondContact O-N 3.11Å
35H74.3Confident68.4Low127 Ų12795.8 Ų95.859%0.58851%0.505SS*.THydrogen-bonded Turntrans-101.932.3174.5-70.6-3.5000112.7R31 I32 I33 F37R31-H35 PolarHBondContact O-N 3.44Å; I32-H35 PolarHBondContact O-N 3.06Å; I32-H35 VanDerWaalsContact O-N 3.15Å; I33-H35 PolarHBondContact O-N 2.83Å; H35-F37 VanDerWaalsContact C-N 3.29Å; H35-F37 HydrophobicContact CB-CD2 4.09Å; H35-F37 HydrophobicContact CB-CE2 4.23Å; H35-F37 WeakPolarHBondContact O-CD2 3.4Å; H35-F37 WeakPolarHBondContact O-CE2 3.3Å; H35-F37 PolarHBondContact O-N 3.2Å
36D68.6Low66.8Low100 Ų10098.6 Ų98.654%0.53552%0.519SS..THydrogen-bonded Turntrans61.827.8177.4-61.8-43.2000115I33 K307I33-D36 PolarHBondContact O-N 2.83Å; D36-K307 VanDerWaalsContact O-CB 3.28Å; D36-K307 WeakPolarHBondContact O-CB 3.35Å; D36-K307 VanDerWaalsContact O-CG 3.29Å; D36-K307 WeakPolarHBondContact O-CG 3.37Å; D36-K307 PolarHBondContact O-N 3.41Å
37F67.5Low65.3Low64 Ų64102.5 Ų102.528%0.28153%0.532SS..EExtended strand (participates in β ladder)trans-93.6135.8169.3-68.1-99.5000111.5I32 H35 F304 E305 R306I32-F37 HydrophobicContact CG2-CB 3.45Å; I32-F37 VanDerWaalsContact CG2-CB 3.45Å; I32-F37 HydrophobicContact CG2-CD2 4.08Å; I32-F37 HydrophobicContact CG2-CG 3.78Å; I32-F37 WeakPolarHBondContact O-CB 3.41Å; I32-F37 WeakPolarHBondContact O-CD2 3.49Å; I32-F37 PolarHBondContact O-N 3.47Å; H35-F37 VanDerWaalsContact C-N 3.29Å; H35-F37 HydrophobicContact CB-CD2 4.09Å; H35-F37 HydrophobicContact CB-CE2 4.23Å; H35-F37 WeakPolarHBondContact O-CD2 3.4Å; H35-F37 WeakPolarHBondContact O-CE2 3.3Å; H35-F37 PolarHBondContact O-N 3.2Å; F37-F304 HydrophobicContact CB-CB 4.11Å; F37-F304 HydrophobicContact CB-CD1 4.38Å; F37-F304 HydrophobicContact CD1-CB 4.15Å; F37-F304 HydrophobicContact CG-CB 4.48Å; F37-E305 CarbonylContact C-O 3.49Å; F37-E305 VanDerWaalsContact CA-O 3.28Å; F37-E305 WeakPolarHBondContact CA-O 3.29Å; F37-R306 HydrophobicContact CD1-CB 4Å; F37-R306 HydrophobicContact CE1-CB 3.75Å; F37-R306 HydrophobicContact CE1-CG 4.24Å; F37-R306 HydrophobicContact CE2-CG 4.47Å; F37-R306 HydrophobicContact CZ-CB 4.19Å; F37-R306 HydrophobicContact CZ-CG 4.2Å
38A66.5Low63.8Low41 Ų41106.2 Ų106.234%0.33955%0.549SS..EExtended strand (participates in β ladder)trans-99.1141.3170.300000110.4V40 E305 K307A38-V40 PolarHBondContact O-N 3.48Å; A38-E305 PolarHBondContact N-O 3.42Å; A38-E305 PolarHBondContact O-N 3.48Å; A38-K307 HydrophobicContact CB-CG 4.03Å
39Q62.9Low62.5Low114 Ų114109.1 Ų109.153%0.53356%0.564SS.*EExtended strand (participates in β ladder)trans-74121.8172.7-175.2174.729.800109.1H29 F304H29-Q39 PolarHBondContact NE2-NE2 2.97Å; Q39-F304 HydrophobicContact CB-CD1 4.49Å; Q39-F304 HydrophobicContact CB-CE1 4.45Å
40V57.8Low61.5Low47 Ų47113.4 Ų113.429%0.28559%0.593SS.*PPolyproline II helixtrans-87.8118.1175.8-173.90000108.4A38 T42 P303 E305A38-V40 PolarHBondContact O-N 3.48Å; V40-T42 VanDerWaalsContact C-N 3.29Å; V40-T42 PolarHBondContact O-N 3.3Å; V40-P303 PolarHBondContact N-O 3.24Å; V40-E305 HydrophobicContact CG2-CB 3.77Å; V40-E305 HydrophobicContact CG2-CG 3.65Å
41S56Low60.1Low102 Ų102116.5 Ų116.571%0.71361%0.607SS**  trans-69.193.216343.90000107.4L43S41-L43 PolarHBondContact O-N 3.28Å
42T51.6Low59Low97 Ų97111.2 Ų111.260%0.59561%0.606SS**  trans-62.199.8163.254.60000105.7V40 S44 P303V40-T42 VanDerWaalsContact C-N 3.29Å; V40-T42 PolarHBondContact O-N 3.3Å; T42-S44 PolarHBondContact O-N 2.87Å; T42-P303 HydrophobicContact CG2-CG 3.75Å
43L49.8Very low58.7Low158 Ų158114.1 Ų114.183%0.82762%0.622SS**  trans-54.396160.1-72169.5000104S41 K45S41-L43 PolarHBondContact O-N 3.28Å; L43-K45 VanDerWaalsContact C-N 3.27Å; L43-K45 PolarHBondContact O-N 3.45Å
44S48.9Very low58.1Low98 Ų98119.5 Ų119.569%0.68564%0.643SS**  trans-58.810517351.90000103.9T42 I46T42-S44 PolarHBondContact O-N 2.87Å; S44-I46 PolarHBondContact O-N 3.15Å
45K49.9Very low57.4Low185 Ų185119.7 Ų119.780%0.80464%0.644SS**  trans-45.8116.2166.5-70.4-177178.5-177.90104.1L43 N47L43-K45 VanDerWaalsContact C-N 3.27Å; L43-K45 PolarHBondContact O-N 3.45Å; K45-N47 VanDerWaalsContact C-N 3.26Å; K45-N47 PolarHBondContact O-N 3.13Å; K45-N47 PolarHBondContact O-OD1 3.32Å
46I46.3Very low56.8Low150 Ų150118.2 Ų118.277%0.76965%0.648SS**  trans-57.9105.6176.5-65.3169.4000102.6S44 D48S44-I46 PolarHBondContact O-N 3.15Å; I46-D48 VanDerWaalsContact C-N 3.34Å; I46-D48 PolarHBondContact O-N 2.83Å
47N50.6Low56.1Low140 Ų140117.6 Ų117.675%0.74966%0.657SS**  trans-61.7108.3176.4-71.8-20.2000104.5K45 I49K45-N47 VanDerWaalsContact C-N 3.26Å; K45-N47 PolarHBondContact O-N 3.13Å; K45-N47 PolarHBondContact O-OD1 3.32Å; N47-I49 PolarHBondContact O-N 2.77Å
48D50.1Low55.3Low145 Ų145121.8 Ų121.878%0.77568%0.675SS**  trans-50.8121.4174.4-72.8-34.1000107.2I46 V50I46-D48 VanDerWaalsContact C-N 3.34Å; I46-D48 PolarHBondContact O-N 2.83Å; D48-V50 VanDerWaalsContact C-N 3.31Å; D48-V50 PolarHBondContact O-N 2.92Å
49I52.8Low54.6Low152 Ų152125 Ų12578%0.77969%0.692SS**  trans-68.896.5-176.6-60.5172000106.2N47 K51N47-I49 PolarHBondContact O-N 2.77Å; I49-K51 PolarHBondContact O-N 2.9Å
50V57.4Low53.9Low133 Ų133127.3 Ų127.381%0.80670%0.701SS**  trans-60.3113.1171.2-177.90000107D48 G52D48-V50 VanDerWaalsContact C-N 3.31Å; D48-V50 PolarHBondContact O-N 2.92Å; V50-G52 PolarHBondContact O-N 3.1Å
51K50.7Low53.7Low199 Ų199132.5 Ų132.587%0.86573%0.727SS**  trans-59.8108.5173.5-86.3176.9-172.1165.70107.8I49I49-K51 PolarHBondContact O-N 2.9Å
52G54.1Low53.5Low63 Ų63134.9 Ų134.965%0.64973%0.732SS**  trans-61.8145.4169.400000111.1V50 K54V50-G52 PolarHBondContact O-N 3.1Å; G52-K54 PolarHBondContact O-N 3.21Å
53D68.2Low53.3Low105 Ų105136 Ų13656%0.56173%0.733SS**  trans-57.2125.7176.3-178.85.1000111N55 S56D53-N55 PolarHBondContact O-N 3Å; D53-N55 PolarHBondContact OD1-N 2.73Å; D53-N55 VanDerWaalsContact OD1-N 3.08Å; D53-S56 PolarHBondContact O-N 3.35Å; D53-S56 PolarHBondContact O-OG 3.06Å
54K59.8Low53.2Low189 Ų189133.7 Ų133.782%0.82273%0.727SS**G310 helixtrans-61.3-25-178.2-66.1-177.4180177.30112.3G52G52-K54 PolarHBondContact O-N 3.21Å
55N61.6Low53.2Low105 Ų105134.2 Ų134.256%0.56173%0.731SS**G310 helixtrans-76.4-23.5-175.3-67.5-30.6000113.3D53 A57 K58D53-N55 PolarHBondContact O-N 3Å; D53-N55 PolarHBondContact OD1-N 2.73Å; D53-N55 VanDerWaalsContact OD1-N 3.08Å; N55-A57 PolarHBondContact O-N 3.47Å; N55-A57 VanDerWaalsContact O-N 3.14Å; N55-K58 PolarHBondContact O-N 3.32Å; N55-K58 VanDerWaalsContact O-N 3.11Å
56S62.2Low52.9Low95 Ų95129.4 Ų129.466%0.66473%0.725SS**G310 helixtrans-69.8-8.2178.355.30000114.2D53D53-S56 PolarHBondContact O-N 3.35Å; D53-S56 PolarHBondContact O-OG 3.06Å
57A54.6Low52.7Low88 Ų88127.9 Ų127.973%0.72773%0.727SS**G310 helixtrans-92.8-5.6173.400000114N55N55-A57 PolarHBondContact O-N 3.47Å; N55-A57 VanDerWaalsContact O-N 3.14Å
58K50.2Low52.6Low152 Ų152127.9 Ų127.966%0.66173%0.727SS**SBendtrans-71.9130.8172.7-73-169.5179.2-179.40108.6N55 F60N55-K58 PolarHBondContact O-N 3.32Å; N55-K58 VanDerWaalsContact O-N 3.11Å; K58-F60 PolarHBondContact O-N 3.4Å
59P50.6Low52.2Low109 Ų109131.8 Ų131.871%0.70873%0.731SS**  trans-54.6127.217423-31000108.2N61P59-N61 PolarHBondContact O-N 2.83Å
60F47.8Very low51.8Low162 Ų162134.3 Ų134.371%0.71173%0.731SS**  trans-44.5114-179.7-64.3-92.5000110.4K58 D62 I63K58-F60 PolarHBondContact O-N 3.4Å; F60-D62 PolarHBondContact O-N 2.86Å; F60-I63 HydrophobicContact CB-CD1 4.19Å; F60-I63 HydrophobicContact CB-CG1 4.05Å
61N54.7Low51.3Low155 Ų155135.1 Ų135.183%0.82973%0.73SS**THydrogen-bonded Turntrans-71.5-12.1172.2-75.4-13.2000111.9P59P59-N61 PolarHBondContact O-N 2.83Å
62D52.7Low50.9Low152 Ų152134.1 Ų134.181%0.81373%0.728SS**THydrogen-bonded Turntrans-91.45.8-175.9-64.6-20.7000114F60 P64F60-D62 PolarHBondContact O-N 2.86Å; D62-P64 VanDerWaalsContact O-CD 3.3Å; D62-P64 WeakPolarHBondContact O-CD 3.47Å
63I46.2Very low50.6Low121 Ų121136.6 Ų136.662%0.62173%0.73SS**SBendtrans-81.6114.2165.7-57.6175.5000105.8F60 S65F60-I63 HydrophobicContact CB-CD1 4.19Å; F60-I63 HydrophobicContact CB-CG1 4.05Å; I63-S65 PolarHBondContact O-N 3.38Å
64P48.2Very low49.5Very low110 Ų110136.9 Ų136.971%0.71474%0.741SS**  trans-55.1118.1174.5-17.229.7000106.5D62 A66D62-P64 VanDerWaalsContact O-CD 3.3Å; D62-P64 WeakPolarHBondContact O-CD 3.47Å; P64-A66 VanDerWaalsContact C-N 3.29Å; P64-A66 PolarHBondContact O-N 3.38Å
65S48.7Very low49.1Very low109 Ų109135.3 Ų135.376%0.76274%0.74SS**  trans-54.6104.2171.4-172.40000105.5I63 C67I63-S65 PolarHBondContact O-N 3.38Å; S65-C67 PolarHBondContact O-N 2.81Å
66A44.6Very low48.6Very low83 Ų83135.6 Ų135.669%0.68675%0.748SS**  trans-49.7121.8179.900000105.5P64 D68P64-A66 VanDerWaalsContact C-N 3.29Å; P64-A66 PolarHBondContact O-N 3.38Å; A66-D68 PolarHBondContact O-N 3.26Å
67C41.2Very low48Very low119 Ų119141 Ų14180%0.80476%0.759SS**  trans-47.7106.9-175.8-168.80000106.6S65 R69S65-C67 PolarHBondContact O-N 2.81Å; C67-R69 PolarHBondContact O-N 2.86Å
68D47.9Very low48Very low139 Ų139144.5 Ų144.574%0.74377%0.765SS**  trans-61.888.9171.8-91.3-28.9000103.9A66 R70A66-D68 PolarHBondContact O-N 3.26Å; D68-R70 PolarHBondContact O-N 3.39Å
69R43Very low48Very low227 Ų227144.9 Ų144.986%0.85777%0.769SS**  trans-59.193.3161.6-118-178.5177.4166.2-0.2101.6C67 L71C67-R69 PolarHBondContact O-N 2.86Å; R69-L71 PolarHBondContact O-N 3.35Å
70R43.1Very low48Very low206 Ų206149.6 Ų149.678%0.77778%0.778SS**  trans-48.194169.4-68.8175.2-179.3-177.9-0.9104.1D68 H72D68-R70 PolarHBondContact O-N 3.39Å; R70-H72 PolarHBondContact O-CD2 2.94Å; R70-H72 PolarHBondContact O-N 3.22Å
71L46.6Very low48.1Very low150 Ų150151.6 Ų151.679%0.78578%0.781SS**  trans-61.5100.1162.6-72174.9000101.5R69 T73R69-L71 PolarHBondContact O-N 3.35Å; L71-T73 PolarHBondContact O-N 3.42Å
72H42.9Very low47.8Very low178 Ų178154.3 Ų154.382%0.82479%0.786SS**  trans-62.378.2173.2-76.3-91000106.4R70 S74R70-H72 PolarHBondContact O-CD2 2.94Å; R70-H72 PolarHBondContact O-N 3.22Å; H72-S74 VanDerWaalsContact C-N 3.31Å; H72-S74 PolarHBondContact O-N 3.43Å; H72-S74 VanDerWaalsContact O-N 3.08Å
73T47.7Very low47.7Very low115 Ų115154.7 Ų154.771%0.70679%0.787SS**  trans-7696.5166.753.10000104.6L71 L75L71-T73 PolarHBondContact O-N 3.42Å; T73-L75 PolarHBondContact O-N 2.85Å
74S45.6Very low48.1Very low111 Ų111152.8 Ų152.878%0.77679%0.789SS**  trans-51.6114.4169.956.50000107.9H72H72-S74 VanDerWaalsContact C-N 3.31Å; H72-S74 PolarHBondContact O-N 3.43Å; H72-S74 VanDerWaalsContact O-N 3.08Å
75L51.4Low48.3Very low155 Ų155157 Ų15781%0.81280%0.799SS**  trans-60.2125.4175.4-71.4166.3000107.8T73 K77T73-L75 PolarHBondContact O-N 2.85Å; L75-K77 PolarHBondContact O-N 3.36Å
76P50.7Low48.4Very low111 Ų111158.3 Ų158.372%0.72180%0.796SS**  trans-58.5130174.122.5-30000108.4L78P76-L78 PolarHBondContact O-N 3.24Å
77K50.6Low49.2Very low208 Ų208158.1 Ų158.190%0.90478%0.784SS**  trans-57.3103.7175.5-73.5178.3179.2176.20108L75 E79L75-K77 PolarHBondContact O-N 3.36Å; K77-E79 PolarHBondContact O-N 2.91Å
78L53.6Low50.1Low162 Ų162159.8 Ų159.885%0.84878%0.783SS**  trans-67.5103.6169.2-80162.4000107.1P76 K80P76-L78 PolarHBondContact O-N 3.24Å; L78-K80 PolarHBondContact O-N 2.69Å
79E49.2Very low50.4Low161 Ų161164.2 Ų164.275%0.75279%0.789SS**  trans-53.8124163.2-81-169153.100108.2K77 R81K77-E79 PolarHBondContact O-N 2.91Å; E79-R81 PolarHBondContact O-N 3.36Å
80K50.8Low50.6Low207 Ų207161 Ų16190%0.978%0.782SS**  trans-67.476.1179-62.2178.9-178179.40109.3L78 K82L78-K80 PolarHBondContact O-N 2.69Å; K80-K82 PolarHBondContact O-N 2.96Å
81R50.3Low51.1Low205 Ų205158.8 Ų158.877%0.77479%0.786SS**  trans-66.4115.7162.5-72.5-173.2176.4176.4-1.1106.2E79 L83E79-R81 PolarHBondContact O-N 3.36Å; R81-L83 PolarHBondContact O-N 2.89Å
82K49.8Very low51.2Low212 Ų212157.7 Ų157.792%0.92279%0.785SS**  trans-58.989170.5-70.7-177.2177.3-179.20107.4K80 A84K80-K82 PolarHBondContact O-N 2.96Å; K82-A84 PolarHBondContact O-N 2.89Å; K82-A84 VanDerWaalsContact O-N 3.14Å
83L50Low51.2Low160 Ų160154.2 Ų154.284%0.83878%0.778SS**  trans-70.8106.7168.3-68.8174.8000105.2R81 E85R81-L83 PolarHBondContact O-N 2.89Å; L83-E85 PolarHBondContact O-N 3.35Å
84A54.2Low51.1Low81 Ų81153 Ų15367%0.66978%0.78SS**  trans-54.8122.8167.500000107K82 I86K82-A84 PolarHBondContact O-N 2.89Å; K82-A84 VanDerWaalsContact O-N 3.14Å; A84-I86 VanDerWaalsContact C-N 3.3Å; A84-I86 PolarHBondContact O-N 2.94Å
85E52.1Low50.6Low197 Ų197152.7 Ų152.792%0.92178%0.777SS**  trans-66.392.6177.6-170.3170.9-162.300107.5L83 D87L83-E85 PolarHBondContact O-N 3.35Å; E85-D87 PolarHBondContact O-N 3.27Å
86I51.4Low49.8Very low137 Ų137154.4 Ų154.470%0.70378%0.783SS**  trans-80.799177.7-64.6161.6000106.3A84 I88A84-I86 VanDerWaalsContact C-N 3.3Å; A84-I86 PolarHBondContact O-N 2.94Å; I86-I88 PolarHBondContact O-N 3.47Å; I86-I88 VanDerWaalsContact O-N 3.11Å
87D62.1Low48.9Very low79 Ų79153.7 Ų153.742%0.42278%0.781SS.*  trans-64.9106.5168.9-176.82000108.9E85 W89 K90E85-D87 PolarHBondContact O-N 3.27Å; D87-W89 PolarHBondContact O-N 3.23Å; D87-W89 VanDerWaalsContact O-N 3.07Å; D87-W89 PolarHBondContact OD1-N 3.43Å; D87-W89 VanDerWaalsContact OD1-N 3.13Å; D87-K90 PolarHBondContact O-N 3.08Å
88I59.2Low47.8Very low154 Ų154150.2 Ų150.279%0.7978%0.783SS**THydrogen-bonded Turntrans-65.1-12.4-175.1-29.9175.9000111.6I86I86-I88 PolarHBondContact O-N 3.47Å; I86-I88 VanDerWaalsContact O-N 3.11Å
89W54Low46.7Very low232 Ų232145.6 Ų145.688%0.87978%0.775SS**THydrogen-bonded Turntrans-100.2-7.7-179.3-59.3103000114.1D87D87-W89 PolarHBondContact O-N 3.23Å; D87-W89 VanDerWaalsContact O-N 3.07Å; D87-W89 PolarHBondContact OD1-N 3.43Å; D87-W89 VanDerWaalsContact OD1-N 3.13Å
90K48.2Very low45.7Very low159 Ų159147.8 Ų147.869%0.69178%0.782SS**SBendtrans-88.9120.7168.5-84.8-177.9177.2176.40109.4D87 V92D87-K90 PolarHBondContact O-N 3.08Å; K90-V92 PolarHBondContact O-N 3.27Å; K90-V92 VanDerWaalsContact O-N 3.13Å
91D52.4Low44.5Very low161 Ų161141.7 Ų141.786%0.86178%0.777SS**PPolyproline II helixtrans-52.3119.4173.1-70.8-45.5000109.7
92V48.5Very low43.6Very low126 Ų126137.4 Ų137.476%0.76478%0.779SS**PPolyproline II helixtrans-54.7128.8177.7177.10000108.2K90 A94K90-V92 PolarHBondContact O-N 3.27Å; K90-V92 VanDerWaalsContact O-N 3.13Å; V92-A94 PolarHBondContact O-N 3.47Å; V92-A94 VanDerWaalsContact O-N 3.17Å
93P43.3Very low42.5Very low105 Ų105134.5 Ų134.568%0.68278%0.779SS**PPolyproline II helixtrans-58.9122.6-168.119.9-31.4000111.3S95P93-S95 PolarHBondContact O-N 3.35Å
94A45.1Very low41.4Very low91 Ų91129.9 Ų129.975%0.75277%0.771SS**  trans-70.439.9177.300000113.1V92 M96V92-A94 PolarHBondContact O-N 3.47Å; V92-A94 VanDerWaalsContact O-N 3.17Å; A94-M96 PolarHBondContact O-N 2.96Å
95S36.1Very low40.2Very low103 Ų103135.4 Ų135.472%0.7278%0.779SS**THydrogen-bonded Turntrans-79.952.4172.467.40000110.7P93P93-S95 PolarHBondContact O-N 3.35Å
96M35Very low39.1Very low191 Ų191134 Ų13494%0.94178%0.778SS**THydrogen-bonded Turntrans-15539.5164.1-85.7-120.2-72.500111.2A94A94-M96 PolarHBondContact O-N 2.96Å
97S31.1Very low38.1Very low97 Ų97131 Ų13168%0.67877%0.774SS**  trans-158.183.5153.768.10000111G99S97-G99 PolarHBondContact O-N 2.95Å; S97-G99 VanDerWaalsContact O-N 3.15Å
98S28.2Very low36.9Very low134 Ų134133.4 Ų133.494%0.93779%0.791SS**  trans-64.2103.4155.2520000108.1
99G30.2Very low35.8Very low65 Ų65132.8 Ų132.867%0.6779%0.789SS**  trans-162.472.1-172.500000113.6S97S97-G99 PolarHBondContact O-N 2.95Å; S97-G99 VanDerWaalsContact O-N 3.15Å
100K28.5Very low35.2Very low207 Ų207130.6 Ų130.690%0.979%0.786SS**  trans60.1107.2148.2-127.1158.3-176.5167.10117.2S102K100-S102 PolarHBondContact O-N 3.04Å
101G25.6Very low34.9Very low79 Ų79128.9 Ų128.981%0.81478%0.784SS**  trans-54.3134.5165.300000111.9
102S31.2Very low34.6Very low115 Ų115126.6 Ų126.680%0.80478%0.778SS**  trans-127.9100.5163.5174.70000106.7K100 G104K100-S102 PolarHBondContact O-N 3.04Å; S102-G104 PolarHBondContact O-N 2.74Å; S102-G104 VanDerWaalsContact O-N 3.14Å
103T25.4Very low34.3Very low152 Ų152123 Ų12393%0.93377%0.767SS**  trans-69.397.7171.8-53.70000108
104G28.7Very low34.4Very low63 Ų63124.8 Ų124.865%0.64977%0.77SS**  trans-134.282.5-176.700000112.3S102S102-G104 PolarHBondContact O-N 2.74Å; S102-G104 VanDerWaalsContact O-N 3.14Å
105K28.4Very low34.7Very low197 Ų197127.2 Ų127.286%0.85777%0.766SS**  trans34103.2146.6-64178.6178.41780117.9A107K105-A107 PolarHBondContact O-N 2.9Å
106N28Very low35.9Very low168 Ų168127.9 Ų127.990%0.89877%0.771SS**  trans22.269.5133.4-56.7-17.8000116.7
107A30.8Very low36.9Very low73 Ų73126 Ų12660%0.60376%0.763SS**  trans-93.2113.415300000106.5K105 D109K105-A107 PolarHBondContact O-N 2.9Å; A107-D109 PolarHBondContact O-N 3.05Å
108V36.5Very low38Very low129 Ų129123.9 Ų123.978%0.78275%0.748SS**  trans-68.670.2169177.60000106.8K110V108-K110 VanDerWaalsContact C-N 3.35Å; V108-K110 PolarHBondContact O-N 2.58Å
109D37.5Very low39.5Very low142 Ų142121.8 Ų121.876%0.75973%0.732SS**  trans-73.6101170.1-83.3-25.7000105.9A107 D111A107-D109 PolarHBondContact O-N 3.05Å; D109-D111 PolarHBondContact O-N 3.14Å
110K40.8Very low40.8Very low185 Ų185124.9 Ų124.980%0.80474%0.74SS**  trans-52.692.1168.9-67.7-177.4177.6-178.20107.7V108 P112V108-K110 VanDerWaalsContact C-N 3.35Å; V108-K110 PolarHBondContact O-N 2.58Å; K110-P112 WeakPolarHBondContact O-CD 3.3Å
111D42.1Very low42.2Very low124 Ų124119.2 Ų119.266%0.66374%0.74SS**  trans-59.2105.4173.3-138.5-19.2000107.1D109 G113D109-D111 PolarHBondContact O-N 3.14Å; D111-G113 PolarHBondContact O-N 3.49Å
112P44.9Very low43.8Very low113 Ų113122.1 Ų122.173%0.73473%0.733SS**THydrogen-bonded Turntrans-76.46.8-173.631.8-30.1000111.7K110 H115K110-P112 WeakPolarHBondContact O-CD 3.3Å; P112-H115 PolarHBondContact O-CE1 3.28Å
113G43.7Very low45.3Very low51 Ų51121.8 Ų121.853%0.52673%0.73SS.*THydrogen-bonded Turntrans-94.4-10.4-178.500000115.8D111 H115D111-G113 PolarHBondContact O-N 3.49Å; G113-H115 PolarHBondContact O-N 2.66Å
114N45.1Very low47.2Very low141 Ų141121.2 Ų121.275%0.75471%0.712SS**  trans-81.771.1177.7-86.6-20.7000110.9S116N114-S116 VanDerWaalsContact C-N 3.3Å; N114-S116 PolarHBondContact O-N 3.1Å
115H51.4Low49.2Very low143 Ų143124.6 Ų124.666%0.66272%0.715SS**  trans-70.197.1159.9-50.4-29.4000106.2P112 G113 L117P112-H115 PolarHBondContact O-CE1 3.28Å; G113-H115 PolarHBondContact O-N 2.66Å; H115-L117 PolarHBondContact O-N 3.19Å
116S60.4Low51.4Low117 Ų117117.4 Ų117.482%0.81869%0.689SS**  trans-50.6114.2172.6-174.20000107.8N114N114-S116 VanDerWaalsContact C-N 3.3Å; N114-S116 PolarHBondContact O-N 3.1Å
117L57.2Low53.9Low150 Ų150113.5 Ų113.579%0.78567%0.671SS**PPolyproline II helixtrans-61.6136.6175.6-69.7173.6000107.3H115 C119H115-L117 PolarHBondContact O-N 3.19Å; L117-C119 PolarHBondContact O-N 3.17Å
118P54.4Low56.1Low54 Ų54116.1 Ų116.135%0.35167%0.674SS.*PPolyproline II helixtrans-56.6144.3174.623.9-31.8000109.5Q122 Y124P118-Q122 HydrophobicContact CB-CB 4.3Å; P118-Y124 HydrophobicContact CG-CD2 4.26Å
119C59Low58.2Low90 Ų90116.4 Ų116.461%0.60867%0.667SS**PPolyproline II helixtrans-53.7138.2175-1600000109L117 G121 Q122L117-C119 PolarHBondContact O-N 3.17Å; C119-G121 PolarHBondContact O-N 3.14Å; C119-Q122 PolarHBondContact O-N 2.8Å; C119-Q122 VanDerWaalsContact O-N 3.14Å
120P57.2Low60.4Low130 Ų130111.9 Ų111.984%0.84464%0.643SS**THydrogen-bonded Turntrans-48.7126.8177.6-25.332.2000111
121G58.7Low62.4Low87 Ų87107.3 Ų107.390%0.89762%0.624SS**THydrogen-bonded Turntrans104.7-11.1-178.900000115.5C119C119-G121 PolarHBondContact O-N 3.14Å
122Q59.5Low64.5Low140 Ų140106 Ų10665%0.65462%0.617SS**  trans-90.7123.5167.2-70-170.4-32.200110.5P118 C119 Y124P118-Q122 HydrophobicContact CB-CB 4.3Å; C119-Q122 PolarHBondContact O-N 2.8Å; C119-Q122 VanDerWaalsContact O-N 3.14Å; Q122-Y124 PolarHBondContact O-N 3.19Å
123S62.5Low66.5Low108 Ų108103.5 Ų103.576%0.75560%0.602SS**  trans-63119.6167.559.30000108.1N125S123-N125 PolarHBondContact O-N 3.28Å
124Y64.5Low68.5Low140 Ų140105.6 Ų105.655%0.54960%0.6SS.*  trans-57.8105.6171.2179.9-107.8000108.6P118 Q122 P126 D130P118-Y124 HydrophobicContact CG-CD2 4.26Å; Q122-Y124 PolarHBondContact O-N 3.19Å; Y124-P126 HydrophobicContact CD1-CB 4.43Å; Y124-P126 HydrophobicContact CE1-CB 3.87Å; Y124-P126 VanDerWaalsContact O-CD 3.23Å; Y124-P126 WeakPolarHBondContact O-CD 3.29Å; Y124-D130 WeakPolarHBondContact OH-CB 3.2Å; Y124-D130 PolarHBondContact OH-OD2 2.91Å; Y124-D130 VanDerWaalsContact OH-OD2 3.05Å
125N70.6Confident70.4Confident134 Ų134103.8 Ų103.872%0.71759%0.59SS**  trans-94.898.5174.6-166.82.3000107.5S123 T127S123-N125 PolarHBondContact O-N 3.28Å; N125-T127 PolarHBondContact O-N 3.01Å
126P74.1Confident72Confident46 Ų46100.3 Ų100.330%0.29958%0.581SS.*  trans-60.2125.6-174.225-34.1000110.1Y124 D130Y124-P126 HydrophobicContact CD1-CB 4.43Å; Y124-P126 HydrophobicContact CE1-CB 3.87Å; Y124-P126 VanDerWaalsContact O-CD 3.23Å; Y124-P126 WeakPolarHBondContact O-CD 3.29Å; P126-D130 HydrophobicContact CB-CB 4.26Å
127T80.2Confident73.3Confident86 Ų86102.9 Ų102.953%0.52857%0.573SS.*  trans-74.1160.4174.9-55.90000109.4N125 H129 D130 H131N125-T127 PolarHBondContact O-N 3.01Å; T127-H129 HydrophobicContact CG2-CB 4.36Å; T127-H129 PolarHBondContact O-N 3.14Å; T127-H129 VanDerWaalsContact O-N 3.12Å; T127-D130 PolarHBondContact N-OD2 2.69Å; T127-D130 WeakPolarHBondContact O-CB 3.44Å; T127-D130 PolarHBondContact O-N 2.92Å; T127-H131 PolarHBondContact O-CD2 3.44Å; T127-H131 VanDerWaalsContact O-CD2 3.31Å; T127-H131 PolarHBondContact O-N 3.34Å; T127-H131 VanDerWaalsContact O-N 3.12Å
128L78Confident74.8Confident129 Ų12999.9 Ų99.968%0.67556%0.557SS**Hα-helixtrans-52.5-33.8171.9-132.8166.2000112.1H131 L132L128-H131 PolarHBondContact O-N 3.34Å; L128-L132 HydrophobicContact CD2-CD1 4.28Å; L128-L132 HydrophobicContact CD2-CG 4.35Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 3.46Å; L128-L132 VanDerWaalsContact O-N 3.08Å
129H80.9Confident76.2Confident134 Ų134104.7 Ų104.762%0.6257%0.573SS**Hα-helixtrans-63-44.3173.3-17477.6000112.6T127 H131 L132 S133T127-H129 HydrophobicContact CG2-CB 4.36Å; T127-H129 PolarHBondContact O-N 3.14Å; T127-H129 VanDerWaalsContact O-N 3.12Å; H129-H131 VanDerWaalsContact C-N 3.32Å; H129-H131 PolarHBondContact O-N 2.97Å; H129-L132 PolarHBondContact O-N 3.05Å; H129-L132 VanDerWaalsContact O-N 3.15Å; H129-S133 WeakPolarHBondContact O-CB 3.32Å; H129-S133 PolarHBondContact O-N 3.39Å
130D84Confident77.5Confident48 Ų48104.3 Ų104.326%0.25757%0.568SS.*Hα-helixtrans-62.6-41.4178.3-58.7-34.3000111.1Y124 P126 T127 L132 S133 L134Y124-D130 WeakPolarHBondContact OH-CB 3.2Å; Y124-D130 PolarHBondContact OH-OD2 2.91Å; Y124-D130 VanDerWaalsContact OH-OD2 3.05Å; P126-D130 HydrophobicContact CB-CB 4.26Å; T127-D130 PolarHBondContact N-OD2 2.69Å; T127-D130 WeakPolarHBondContact O-CB 3.44Å; T127-D130 PolarHBondContact O-N 2.92Å; D130-L132 PolarHBondContact O-N 2.82Å; D130-S133 PolarHBondContact O-N 3.21Å; D130-L134 VanDerWaalsContact O-CB 3.29Å; D130-L134 WeakPolarHBondContact O-CB 3.39Å; D130-L134 PolarHBondContact O-N 3.43Å
131H81.7Confident78.9Confident89 Ų89102.5 Ų102.541%0.41255%0.55SS..Hα-helixtrans-62.1-42.1174-69.9-61.5000112.3T127 L128 H129 L134 I135T127-H131 PolarHBondContact O-CD2 3.44Å; T127-H131 VanDerWaalsContact O-CD2 3.31Å; T127-H131 PolarHBondContact O-N 3.34Å; T127-H131 VanDerWaalsContact O-N 3.12Å; L128-H131 PolarHBondContact O-N 3.34Å; H129-H131 VanDerWaalsContact C-N 3.32Å; H129-H131 PolarHBondContact O-N 2.97Å; H131-L134 PolarHBondContact O-N 2.9Å; H131-I135 WeakPolarHBondContact O-CB 3.47Å; H131-I135 WeakPolarHBondContact O-CD1 3.4Å; H131-I135 WeakPolarHBondContact O-CG1 3.45Å; H131-I135 PolarHBondContact O-N 3.33Å
132L86.6Confident80.2Confident97 Ų97105.1 Ų105.151%0.50854%0.539SS..Hα-helixtrans-67.4-40.4176.9-70.8172.8000112L128 H129 D130 I135 S136L128-L132 HydrophobicContact CD2-CD1 4.28Å; L128-L132 HydrophobicContact CD2-CG 4.35Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 3.46Å; L128-L132 VanDerWaalsContact O-N 3.08Å; H129-L132 PolarHBondContact O-N 3.05Å; H129-L132 VanDerWaalsContact O-N 3.15Å; D130-L132 PolarHBondContact O-N 2.82Å; L132-I135 PolarHBondContact O-N 3.32Å; L132-S136 WeakPolarHBondContact O-CB 3.33Å; L132-S136 PolarHBondContact O-N 2.9Å; L132-S136 PolarHBondContact O-OG 2.96Å
133S87.1Confident81.4Confident60 Ų60101.2 Ų101.242%0.4253%0.527SS..Hα-helixtrans-61.4-46.2174.2-176.10000111H129 D130 I135 S136 R137H129-S133 WeakPolarHBondContact O-CB 3.32Å; H129-S133 PolarHBondContact O-N 3.39Å; D130-S133 PolarHBondContact O-N 3.21Å; S133-I135 PolarHBondContact O-N 3.09Å; S133-S136 WeakPolarHBondContact O-CB 3.25Å; S133-S136 PolarHBondContact O-N 3.1Å; S133-R137 PolarHBondContact O-N 2.76Å
134L85.8Confident82.4Confident94 Ų9498.2 Ų98.249%0.49251%0.509SS..Hα-helixtrans-60.2-46.7175.3-18063.4000112D130 H131 S136 R137 L138D130-L134 VanDerWaalsContact O-CB 3.29Å; D130-L134 WeakPolarHBondContact O-CB 3.39Å; D130-L134 PolarHBondContact O-N 3.43Å; H131-L134 PolarHBondContact O-N 2.9Å; L134-S136 VanDerWaalsContact C-N 3.26Å; L134-S136 PolarHBondContact O-N 3.36Å; L134-R137 PolarHBondContact O-N 3Å; L134-L138 HydrophobicContact CD1-CD1 4.44Å; L134-L138 HydrophobicContact CD1-CG 4.33Å; L134-L138 HydrophobicContact CG-CD1 4.14Å; L134-L138 HydrophobicContact CG-CG 4.46Å; L134-L138 WeakPolarHBondContact O-CB 3.42Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.16Å; L134-L138 PolarHBondContact O-N 2.99Å
135I85.3Confident83.5Confident104 Ų10497.6 Ų97.653%0.53351%0.509SS..Hα-helixtrans-60.5-40176.8-70.4163.1000110.7H131 L132 S133 L138 K139H131-I135 WeakPolarHBondContact O-CB 3.47Å; H131-I135 WeakPolarHBondContact O-CD1 3.4Å; H131-I135 WeakPolarHBondContact O-CG1 3.45Å; H131-I135 PolarHBondContact O-N 3.33Å; L132-I135 PolarHBondContact O-N 3.32Å; S133-I135 PolarHBondContact O-N 3.09Å; I135-L138 PolarHBondContact O-N 3.38Å; I135-K139 WeakPolarHBondContact O-CB 3.48Å; I135-K139 PolarHBondContact O-N 3.41Å
136S85.1Confident84.2Confident69 Ų6998.8 Ų98.848%0.48350%0.503SS..Hα-helixtrans-66.2-43.3178.8-57.60000111L132 S133 L134 K139 T140L132-S136 WeakPolarHBondContact O-CB 3.33Å; L132-S136 PolarHBondContact O-N 2.9Å; L132-S136 PolarHBondContact O-OG 2.96Å; S133-S136 WeakPolarHBondContact O-CB 3.25Å; S133-S136 PolarHBondContact O-N 3.1Å; L134-S136 VanDerWaalsContact C-N 3.26Å; L134-S136 PolarHBondContact O-N 3.36Å; S136-K139 WeakPolarHBondContact O-CB 3.32Å; S136-K139 PolarHBondContact O-N 3.45Å; S136-T140 WeakPolarHBondContact O-CG2 3.4Å; S136-T140 PolarHBondContact O-N 2.85Å
137R87.4Confident84.7Confident171 Ų171102 Ų10265%0.64551%0.513SS*.Hα-helixtrans-64-40.5172.9-174.5175.5179.4169.80.4112.8S133 L134 K139 T140 I141S133-R137 PolarHBondContact O-N 2.76Å; L134-R137 PolarHBondContact O-N 3Å; R137-K139 VanDerWaalsContact C-N 3.31Å; R137-K139 PolarHBondContact O-N 3.48Å; R137-T140 WeakPolarHBondContact CA-OG1 3.46Å; R137-T140 PolarHBondContact O-N 2.97Å; R137-T140 PolarHBondContact O-OG1 3.47Å; R137-I141 HydrophobicContact CG-CD1 4.03Å; R137-I141 VanDerWaalsContact O-CG1 3.25Å; R137-I141 WeakPolarHBondContact O-CG1 3.26Å; R137-I141 PolarHBondContact O-N 3.3Å
138L87.7Confident84.9Confident87 Ų87103.5 Ų103.546%0.45551%0.509SS..Hα-helixtrans-63.7-39.9175-73.2173.3000111.1L134 I135 T140 I141 E142L134-L138 HydrophobicContact CD1-CD1 4.44Å; L134-L138 HydrophobicContact CD1-CG 4.33Å; L134-L138 HydrophobicContact CG-CD1 4.14Å; L134-L138 HydrophobicContact CG-CG 4.46Å; L134-L138 WeakPolarHBondContact O-CB 3.42Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.16Å; L134-L138 PolarHBondContact O-N 2.99Å; I135-L138 PolarHBondContact O-N 3.38Å; L138-T140 PolarHBondContact O-N 3.45Å; L138-I141 PolarHBondContact O-N 3.29Å; L138-E142 WeakPolarHBondContact O-CB 3.36Å; L138-E142 WeakPolarHBondContact O-CG 3.4Å; L138-E142 PolarHBondContact O-N 3.12Å
139K85.3Confident85.3Confident155 Ų155102 Ų10267%0.67450%0.498SS*.Hα-helixtrans-62.3-41.4175-176.4-173.6175.5-167.60111.9I135 S136 R137 S143I135-K139 WeakPolarHBondContact O-CB 3.48Å; I135-K139 PolarHBondContact O-N 3.41Å; S136-K139 WeakPolarHBondContact O-CB 3.32Å; S136-K139 PolarHBondContact O-N 3.45Å; R137-K139 VanDerWaalsContact C-N 3.31Å; R137-K139 PolarHBondContact O-N 3.48Å; K139-S143 WeakPolarHBondContact O-CB 3.23Å; K139-S143 PolarHBondContact O-N 2.94Å; K139-S143 PolarHBondContact O-OG 3.08Å
140T85.5Confident85.5Confident83 Ų8399.3 Ų99.351%0.50949%0.488SS..Hα-helixtrans-66.3-44.2176.158.10000110.9S136 R137 L138 E142 S143 A144S136-T140 WeakPolarHBondContact O-CG2 3.4Å; S136-T140 PolarHBondContact O-N 2.85Å; R137-T140 WeakPolarHBondContact CA-OG1 3.46Å; R137-T140 PolarHBondContact O-N 2.97Å; R137-T140 PolarHBondContact O-OG1 3.47Å; L138-T140 PolarHBondContact O-N 3.45Å; T140-E142 PolarHBondContact O-N 2.81Å; T140-S143 PolarHBondContact O-N 3.12Å; T140-S143 PolarHBondContact O-OG 3.01Å; T140-A144 WeakPolarHBondContact O-CB 3.32Å; T140-A144 PolarHBondContact O-N 3.05Å
141I86.2Confident85.6Confident91 Ų9199.9 Ų99.947%0.46749%0.488SS..Hα-helixtrans-59.3-47.6175.2-67.8165.4000111.6R137 L138 S143 A144 K145R137-I141 HydrophobicContact CG-CD1 4.03Å; R137-I141 VanDerWaalsContact O-CG1 3.25Å; R137-I141 WeakPolarHBondContact O-CG1 3.26Å; R137-I141 PolarHBondContact O-N 3.3Å; L138-I141 PolarHBondContact O-N 3.29Å; I141-S143 PolarHBondContact O-N 3.31Å; I141-A144 PolarHBondContact O-N 3.49Å; I141-K145 WeakPolarHBondContact O-CB 3.39Å; I141-K145 PolarHBondContact O-N 3.43Å
142E85.4Confident85.7Confident142 Ų14297.9 Ų97.966%0.66448%0.482SS*.Hα-helixtrans-63.3-41178.4-77.6-171.316900112.1L138 T140 K145 R146L138-E142 WeakPolarHBondContact O-CB 3.36Å; L138-E142 WeakPolarHBondContact O-CG 3.4Å; L138-E142 PolarHBondContact O-N 3.12Å; T140-E142 PolarHBondContact O-N 2.81Å; E142-K145 PolarHBondContact O-N 3.38Å; E142-R146 WeakPolarHBondContact O-CB 3.4Å; E142-R146 PolarHBondContact O-N 2.94Å
143S85.5Confident85.7Confident59 Ų5997.9 Ų97.941%0.41348%0.48SS..Hα-helixtrans-68.4-40.6178.269.70000112K139 T140 I141 R146 K147K139-S143 WeakPolarHBondContact O-CB 3.23Å; K139-S143 PolarHBondContact O-N 2.94Å; K139-S143 PolarHBondContact O-OG 3.08Å; T140-S143 PolarHBondContact O-N 3.12Å; T140-S143 PolarHBondContact O-OG 3.01Å; I141-S143 PolarHBondContact O-N 3.31Å; S143-R146 PolarHBondContact O-N 3.23Å; S143-K147 WeakPolarHBondContact O-CG 3.38Å; S143-K147 PolarHBondContact O-N 3.42Å
144A84.4Confident85.5Confident44 Ų44102.8 Ų102.836%0.36449%0.489SS..Hα-helixtrans-62.5-45.2173.100000111.6T140 I141 R146 K147 R148T140-A144 WeakPolarHBondContact O-CB 3.32Å; T140-A144 PolarHBondContact O-N 3.05Å; I141-A144 PolarHBondContact O-N 3.49Å; A144-R146 VanDerWaalsContact C-N 3.31Å; A144-R146 PolarHBondContact O-N 2.94Å; A144-K147 PolarHBondContact O-N 3.24Å; A144-R148 PolarHBondContact O-N 2.96Å
145K86.5Confident85.4Confident127 Ų127100 Ų10055%0.55247%0.473SS*.Hα-helixtrans-56.9-45.4174.3-177.9177.6178.31770111.2I141 E142 R148 E149I141-K145 WeakPolarHBondContact O-CB 3.39Å; I141-K145 PolarHBondContact O-N 3.43Å; E142-K145 PolarHBondContact O-N 3.38Å; K145-R148 WeakPolarHBondContact O-CB 3.4Å; K145-R148 PolarHBondContact O-N 3.47Å; K145-E149 WeakPolarHBondContact CE-OE1 3.48Å; K145-E149 WeakPolarHBondContact O-CG 3.49Å; K145-E149 PolarHBondContact O-N 3.32Å
146R84.9Confident85.4Confident159 Ų15998 Ų9860%0.647%0.465SS*.Hα-helixtrans-66.3-38.1178.2-168.8175.7-178.3170.8-2.3112.8E142 S143 A144 E149 L150E142-R146 WeakPolarHBondContact O-CB 3.4Å; E142-R146 PolarHBondContact O-N 2.94Å; S143-R146 PolarHBondContact O-N 3.23Å; A144-R146 VanDerWaalsContact C-N 3.31Å; A144-R146 PolarHBondContact O-N 2.94Å; R146-E149 PolarHBondContact O-N 3.46Å; R146-L150 HydrophobicContact CG-CD1 4.46Å; R146-L150 WeakPolarHBondContact O-CG 3.27Å; R146-L150 PolarHBondContact O-N 3Å
147K85.9Confident85.1Confident114 Ų11497.8 Ų97.850%0.49646%0.464SS..Hα-helixtrans-60.8-44.7172.8-74.4-178.9178.2-1710110.5S143 A144 L150 K151 D193S143-K147 WeakPolarHBondContact O-CG 3.38Å; S143-K147 PolarHBondContact O-N 3.42Å; A144-K147 PolarHBondContact O-N 3.24Å; K147-L150 PolarHBondContact O-N 3.08Å; K147-K151 PolarHBondContact O-N 2.91Å; K147-D193 IonicContact NZ-OD2 3.69Å
148R84.4Confident84.7Confident117 Ų11792.9 Ų92.944%0.44246%0.456SS..Hα-helixtrans-62.5-44.9175.2-176.5178.5-73.8147.9-6.2112.7A144 K145 L150 K151 T152 L179A144-R148 PolarHBondContact O-N 2.96Å; K145-R148 WeakPolarHBondContact O-CB 3.4Å; K145-R148 PolarHBondContact O-N 3.47Å; R148-L150 VanDerWaalsContact C-N 3.34Å; R148-L150 PolarHBondContact O-N 3.18Å; R148-K151 PolarHBondContact O-N 2.65Å; R148-T152 WeakPolarHBondContact O-CG2 3.3Å; R148-T152 PolarHBondContact O-N 2.71Å; R148-T152 PolarHBondContact O-OG1 3.27Å; R148-L179 HydrophobicContact CG-CD2 4.08Å
149E86.3Confident84.1Confident97 Ų9792.4 Ų92.445%0.45345%0.453SS..Hα-helixtrans-60.5-41.3174.9-74.7174.1-174.300112.1K145 R146 T152 E153K145-E149 WeakPolarHBondContact CE-OE1 3.48Å; K145-E149 WeakPolarHBondContact O-CG 3.49Å; K145-E149 PolarHBondContact O-N 3.32Å; R146-E149 PolarHBondContact O-N 3.46Å; E149-T152 VanDerWaalsContact CA-OG1 3.29Å; E149-T152 WeakPolarHBondContact CA-OG1 3.22Å; E149-T152 PolarHBondContact O-OG1 3.38Å; E149-E153 WeakPolarHBondContact O-CB 3.25Å; E149-E153 WeakPolarHBondContact O-CG 3.3Å; E149-E153 PolarHBondContact O-N 3.04Å
150L85.6Confident83.6Confident79 Ų7993.9 Ų93.941%0.41446%0.455SS..Hα-helixtrans-67.5-37.4176.9-73.7169.4000112.5R146 K147 R148 R154R146-L150 HydrophobicContact CG-CD1 4.46Å; R146-L150 WeakPolarHBondContact O-CG 3.27Å; R146-L150 PolarHBondContact O-N 3Å; K147-L150 PolarHBondContact O-N 3.08Å; R148-L150 VanDerWaalsContact C-N 3.34Å; R148-L150 PolarHBondContact O-N 3.18Å; L150-R154 WeakPolarHBondContact O-CB 3.44Å; L150-R154 VanDerWaalsContact O-CG 3.23Å; L150-R154 WeakPolarHBondContact O-CG 3.2Å; L150-R154 PolarHBondContact O-N 3.3Å
151K84.8Confident82.7Confident59 Ų5991.7 Ų91.726%0.25745%0.449SS..Hα-helixtrans-66.5-45.8174.9-78.1-174.8174.3-173.90112.2K147 R148 R154 F155 F175 E182K147-K151 PolarHBondContact O-N 2.91Å; R148-K151 PolarHBondContact O-N 2.65Å; K151-R154 WeakPolarHBondContact O-CB 3.43Å; K151-R154 PolarHBondContact O-N 3.28Å; K151-F155 PolarHBondContact O-N 3.26Å; K151-F175 HydrophobicContact CB-CE2 4.33Å; K151-E182 IonicContact NZ-OE1 2.93Å; K151-E182 PolarHBondContact NZ-OE1 2.78Å; K151-E182 IonicContact NZ-OE2 2.56Å; K151-E182 PolarHBondContact NZ-OE2 3.49Å
152T85.1Confident81.4Confident47 Ų4794.8 Ų94.829%0.28847%0.471SS..Hα-helixtrans-60.6-45.2174.950.70000111.1R148 E149 R154 F155 V156 F175R148-T152 WeakPolarHBondContact O-CG2 3.3Å; R148-T152 PolarHBondContact O-N 2.71Å; R148-T152 PolarHBondContact O-OG1 3.27Å; E149-T152 VanDerWaalsContact CA-OG1 3.29Å; E149-T152 WeakPolarHBondContact CA-OG1 3.22Å; E149-T152 PolarHBondContact O-OG1 3.38Å; T152-R154 VanDerWaalsContact C-N 3.3Å; T152-R154 PolarHBondContact O-N 2.95Å; T152-F155 PolarHBondContact O-N 3.02Å; T152-V156 VanDerWaalsContact O-CG2 3.27Å; T152-V156 WeakPolarHBondContact O-CG2 3.39Å; T152-V156 PolarHBondContact O-N 3.13Å; T152-F175 HydrophobicContact CG2-CE1 4.02Å; T152-F175 HydrophobicContact CG2-CZ 3.58Å
153E85.4Confident80.2Confident97 Ų9797.1 Ų97.145%0.45348%0.479SS..Hα-helixtrans-60.6-37.2174.5-77.7-167.6162.800112.2K6 E149 S157K6-E153 IonicContact NZ-OE1 3.56Å; K6-E153 PolarHBondContact NZ-OE1 2.75Å; E149-E153 WeakPolarHBondContact O-CB 3.25Å; E149-E153 WeakPolarHBondContact O-CG 3.3Å; E149-E153 PolarHBondContact O-N 3.04Å; E153-S157 VanDerWaalsContact O-CB 3.28Å; E153-S157 WeakPolarHBondContact O-CB 3.39Å; E153-S157 PolarHBondContact O-N 3.47Å; E153-S157 PolarHBondContact O-OG 2.86Å
154R82.6Confident79Confident164 Ų16498.7 Ų98.762%0.61949%0.491SS*.Hα-helixtrans-65.6-48.6174.5-75.5172.4-172-171.33.7112.1L150 K151 T152 S157 S158L150-R154 WeakPolarHBondContact O-CB 3.44Å; L150-R154 VanDerWaalsContact O-CG 3.23Å; L150-R154 WeakPolarHBondContact O-CG 3.2Å; L150-R154 PolarHBondContact O-N 3.3Å; K151-R154 WeakPolarHBondContact O-CB 3.43Å; K151-R154 PolarHBondContact O-N 3.28Å; T152-R154 VanDerWaalsContact C-N 3.3Å; T152-R154 PolarHBondContact O-N 2.95Å; R154-S157 CarbonylContact O-C 3.58Å; R154-S157 WeakPolarHBondContact O-CB 3.34Å; R154-S157 PolarHBondContact O-N 2.98Å; R154-S157 VanDerWaalsContact O-N 3.1Å; R154-S158 PolarHBondContact O-N 2.92Å; R154-S158 PolarHBondContact O-OG 3.46Å
155F84.6Confident78Confident35 Ų3598.2 Ų98.215%0.15448%0.484CS..Hα-helixtrans-60.8-45.5178.7178.9-103.2000111.6K151 T152 S157 S158 L159 D171 M172 F175K151-F155 PolarHBondContact O-N 3.26Å; T152-F155 PolarHBondContact O-N 3.02Å; F155-S157 VanDerWaalsContact C-N 3.25Å; F155-S157 PolarHBondContact O-N 3.13Å; F155-S158 WeakPolarHBondContact CA-OG 3.32Å; F155-S158 PolarHBondContact O-N 3.46Å; F155-S158 PolarHBondContact O-OG 3.42Å; F155-L159 HydrophobicContact CD1-CD1 4.18Å; F155-L159 HydrophobicContact CE1-CD1 3.71Å; F155-L159 HydrophobicContact CE1-CG 4.43Å; F155-L159 HydrophobicContact CZ-CD1 4.12Å; F155-L159 HydrophobicContact CZ-CG 4.49Å; F155-L159 WeakPolarHBondContact O-CG 3.46Å; F155-L159 PolarHBondContact O-N 3.47Å; F155-L159 VanDerWaalsContact O-N 3.16Å; F155-D171 HydrophobicContact CE2-CB 4.38Å; F155-M172 HydrophobicContact CZ-CB 4.19Å; F155-F175 HydrophobicContact CB-CD2 3.81Å; F155-F175 HydrophobicContact CB-CE1 4.45Å; F155-F175 HydrophobicContact CB-CE2 3.66Å; F155-F175 HydrophobicContact CB-CG 4.28Å; F155-F175 HydrophobicContact CB-CZ 4.02Å; F155-F175 AromaticContact CD1-CD1 3.84Å; F155-F175 HydrophobicContact CD1-CD1 3.84Å; F155-F175 HydrophobicContact CD1-CD2 4.4Å; F155-F175 HydrophobicContact CD1-CE1 4.1Å; F155-F175 HydrophobicContact CD1-CG 4.01Å; F155-F175 HydrophobicContact CD1-CZ 4.5Å; F155-F175 HydrophobicContact CD2-CB 3.87Å; F155-F175 HydrophobicContact CD2-CD1 4.44Å; F155-F175 AromaticContact CD2-CD2 3.82Å; F155-F175 HydrophobicContact CD2-CD2 3.82Å; F155-F175 AromaticContact CD2-CG 3.77Å; F155-F175 HydrophobicContact CD2-CG 3.77Å; F155-F175 HydrophobicContact CE1-CB 4.47Å; F155-F175 HydrophobicContact CE1-CD1 4.09Å; F155-F175 HydrophobicContact CE1-CG 4.29Å; F155-F175 HydrophobicContact CE2-CB 3.73Å; F155-F175 HydrophobicContact CE2-CG 4.07Å; F155-F175 HydrophobicContact CG-CB 4.31Å; F155-F175 HydrophobicContact CG-CD1 4.03Å; F155-F175 AromaticContact CG-CD2 3.75Å; F155-F175 HydrophobicContact CG-CD2 3.75Å; F155-F175 HydrophobicContact CG-CE1 4.31Å; F155-F175 HydrophobicContact CG-CE2 4.05Å; F155-F175 AromaticContact CG-CG 3.74Å; F155-F175 HydrophobicContact CG-CG 3.74Å; F155-F175 HydrophobicContact CG-CZ 4.33Å; F155-F175 HydrophobicContact CZ-CB 4.05Å; F155-F175 HydrophobicContact CZ-CG 4.33Å
156V84Confident77.2Confident62 Ų6298.1 Ų98.138%0.37650%0.496SS..Hα-helixtrans-64.9-32.7175.31790000111.4T152 L159 R160T152-V156 VanDerWaalsContact O-CG2 3.27Å; T152-V156 WeakPolarHBondContact O-CG2 3.39Å; T152-V156 PolarHBondContact O-N 3.13Å; V156-L159 PolarHBondContact O-N 2.97Å; V156-R160 PolarHBondContact O-N 3.02Å
157S80.7Confident76.9Confident65 Ų6595.1 Ų95.146%0.45549%0.492SS..Hα-helixtrans-72.3-33.4176.3-59.70000112.9E153 R154 F155 L159 R160 G161E153-S157 VanDerWaalsContact O-CB 3.28Å; E153-S157 WeakPolarHBondContact O-CB 3.39Å; E153-S157 PolarHBondContact O-N 3.47Å; E153-S157 PolarHBondContact O-OG 2.86Å; R154-S157 CarbonylContact O-C 3.58Å; R154-S157 WeakPolarHBondContact O-CB 3.34Å; R154-S157 PolarHBondContact O-N 2.98Å; R154-S157 VanDerWaalsContact O-N 3.1Å; F155-S157 VanDerWaalsContact C-N 3.25Å; F155-S157 PolarHBondContact O-N 3.13Å; S157-L159 VanDerWaalsContact C-N 3.33Å; S157-R160 PolarHBondContact O-N 3.48Å; S157-G161 PolarHBondContact O-N 2.95Å
158S78.2Confident76.4Confident68 Ų6893.1 Ų93.148%0.47649%0.491SS..Hα-helixtrans-68.1-33.3173.4520000112.1R154 F155 R160 G161R154-S158 PolarHBondContact O-N 2.92Å; R154-S158 PolarHBondContact O-OG 3.46Å; F155-S158 WeakPolarHBondContact CA-OG 3.32Å; F155-S158 PolarHBondContact O-N 3.46Å; F155-S158 PolarHBondContact O-OG 3.42Å; S158-R160 VanDerWaalsContact C-N 3.29Å; S158-R160 PolarHBondContact O-N 3.4Å; S158-G161 PolarHBondContact O-N 3.46Å
159L75.5Confident76.2Confident76 Ų7693.4 Ų93.440%0.39850%0.5SS..Hα-helixtrans-67.3-27.2173.9-65.7175.3000113.4F155 V156 S157 P165F155-L159 HydrophobicContact CD1-CD1 4.18Å; F155-L159 HydrophobicContact CE1-CD1 3.71Å; F155-L159 HydrophobicContact CE1-CG 4.43Å; F155-L159 HydrophobicContact CZ-CD1 4.12Å; F155-L159 HydrophobicContact CZ-CG 4.49Å; F155-L159 WeakPolarHBondContact O-CG 3.46Å; F155-L159 PolarHBondContact O-N 3.47Å; F155-L159 VanDerWaalsContact O-N 3.16Å; V156-L159 PolarHBondContact O-N 2.97Å; S157-L159 VanDerWaalsContact C-N 3.33Å; L159-P165 HydrophobicContact CD2-CG 4.49Å
160R74.5Confident76Confident186 Ų18694.9 Ų94.970%0.70251%0.505SS*.THydrogen-bonded Turntrans-82.7-10.3175-82.7-169.2-76.2-99.9-1.1114.1V156 S157 S158V156-R160 PolarHBondContact O-N 3.02Å; S157-R160 PolarHBondContact O-N 3.48Å; S158-R160 VanDerWaalsContact C-N 3.29Å; S158-R160 PolarHBondContact O-N 3.4Å
161G65.8Low75.7Confident37 Ų3793.8 Ų93.838%0.38150%0.5SS..SBendtrans-69.5157-178.800000112.4S157 S158 K163S157-G161 PolarHBondContact O-N 2.95Å; S158-G161 PolarHBondContact O-N 3.46Å; G161-K163 PolarHBondContact O-N 2.84Å; G161-K163 VanDerWaalsContact O-N 3.09Å
162V60.5Low75.6Confident156 Ų15695.1 Ų95.195%0.94551%0.508SS*.SBendtrans-61.4-18.2178.7-176.60000112.7
163K59.7Low75.7Confident191 Ų19198.1 Ų98.183%0.8352%0.519SS*.SBendtrans-10582.9174.5-60.9-168.9177.8-1690109.1G161G161-K163 PolarHBondContact O-N 2.84Å; G161-K163 VanDerWaalsContact O-N 3.09Å
164S60.8Low75.7Confident93 Ų93100.1 Ų100.165%0.6553%0.526SS*.  trans-64.4135168.449.70000109.2
165P63Low75.9Confident34 Ų3493.8 Ų93.822%0.22150%0.503CS..  trans-63.4153.1177.126.3-33.1000110.8L159 N167 D171L159-P165 HydrophobicContact CD2-CG 4.49Å; P165-N167 PolarHBondContact O-N 3.37Å; P165-D171 WeakPolarHBondContact CB-OD2 3.4Å; P165-D171 WeakPolarHBondContact CG-OD2 3.36Å
166P69.7Low76Confident125 Ų12596.2 Ų96.281%0.81252%0.517SS*.SBendtrans-58.4-32.5-178-21.230.1000113.5
167N77Confident76.1Confident96 Ų9699.2 Ų99.251%0.51353%0.527SS..  trans-136.988.3-176-81.6-44.9000111.1P165 L169 K170 D171P165-N167 PolarHBondContact O-N 3.37Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 2.84Å; N167-K170 HydrophobicContact CB-CB 4.38Å; N167-K170 HydrophobicContact CB-CD 4.48Å; N167-K170 HydrophobicContact CB-CG 4.48Å; N167-K170 PolarHBondContact O-N 2.79Å; N167-D171 PolarHBondContact O-N 3.43Å
168P75.4Confident76.3Confident72 Ų7298.1 Ų98.147%0.46852%0.519SS..Hα-helixtrans-63.6-28.3-175.824.5-33.9000113.7D171 M172P168-D171 PolarHBondContact O-N 3.49Å; P168-M172 PolarHBondContact O-N 3.48Å
169L81.1Confident76.4Confident122 Ų12296 Ų9664%0.63950%0.502SS*.Hα-helixtrans-67.9-46.7179.5-67.2176.4000112.5N167 D171 M172 E173N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 2.84Å; L169-D171 VanDerWaalsContact C-N 3.25Å; L169-D171 PolarHBondContact O-N 2.78Å; L169-M172 HydrophobicContact CD2-CE 4.32Å; L169-M172 WeakPolarHBondContact O-CB 3.49Å; L169-M172 PolarHBondContact O-N 3.14Å; L169-M172 VanDerWaalsContact O-N 3.13Å; L169-E173 PolarHBondContact O-N 3.15Å
170K81.5Confident76.5Confident129 Ų12997 Ų9756%0.56151%0.508SS*.Hα-helixtrans-62.2-35176.6-72.1-173.1176.6-178.20111.8N167 K174N167-K170 HydrophobicContact CB-CB 4.38Å; N167-K170 HydrophobicContact CB-CD 4.48Å; N167-K170 HydrophobicContact CB-CG 4.48Å; N167-K170 PolarHBondContact O-N 2.79Å; K170-K174 VanDerWaalsContact O-CG 3.29Å; K170-K174 WeakPolarHBondContact O-CG 3.36Å; K170-K174 PolarHBondContact O-N 3.48Å
171D80Confident76.3Confident56 Ų5692.4 Ų92.430%0.29950%0.5SS..Hα-helixtrans-71.4-34.9176.5-75.9-4.9000112.1F155 P165 N167 P168 L169 F175F155-D171 HydrophobicContact CE2-CB 4.38Å; P165-D171 WeakPolarHBondContact CB-OD2 3.4Å; P165-D171 WeakPolarHBondContact CG-OD2 3.36Å; N167-D171 PolarHBondContact O-N 3.43Å; P168-D171 PolarHBondContact O-N 3.49Å; L169-D171 VanDerWaalsContact C-N 3.25Å; L169-D171 PolarHBondContact O-N 2.78Å; D171-F175 VanDerWaalsContact O-CB 3.25Å; D171-F175 WeakPolarHBondContact O-CB 3.19Å; D171-F175 PolarHBondContact O-N 2.98Å
172M83.7Confident76.1Confident86 Ų8695 Ų9542%0.42450%0.503SS..Hα-helixtrans-65.3-43.7172.5-172.8-178.270.100111.7F155 P168 L169 F175 L176F155-M172 HydrophobicContact CZ-CB 4.19Å; P168-M172 PolarHBondContact O-N 3.48Å; L169-M172 HydrophobicContact CD2-CE 4.32Å; L169-M172 WeakPolarHBondContact O-CB 3.49Å; L169-M172 PolarHBondContact O-N 3.14Å; L169-M172 VanDerWaalsContact O-N 3.13Å; M172-F175 WeakPolarHBondContact O-CB 3.06Å; M172-F175 PolarHBondContact O-N 3.49Å; M172-L176 HydrophobicContact CG-CD1 4.45Å; M172-L176 WeakPolarHBondContact O-CG 3.29Å; M172-L176 PolarHBondContact O-N 3.08Å
173E85.9Confident75.9Confident110 Ų11090.1 Ų90.151%0.51448%0.476SS..Hα-helixtrans-59.6-50174.7-72.6173176.700111.3L169 F175 L176 H177L169-E173 PolarHBondContact O-N 3.15Å; E173-F175 VanDerWaalsContact C-N 3.27Å; E173-F175 PolarHBondContact O-N 3.18Å; E173-L176 PolarHBondContact O-N 2.85Å; E173-H177 PolarHBondContact O-CD2 3.15Å; E173-H177 PolarHBondContact O-N 3.32Å
174K85.7Confident75.5Confident140 Ų14087.3 Ų87.361%0.60947%0.47SS*.Hα-helixtrans-57.4-41.3174.6-72.8172.4-175.6176.40112K170 H177 S178K170-K174 VanDerWaalsContact O-CG 3.29Å; K170-K174 WeakPolarHBondContact O-CG 3.36Å; K170-K174 PolarHBondContact O-N 3.48Å; K174-H177 PolarHBondContact O-N 2.94Å; K174-S178 WeakPolarHBondContact O-CB 3.41Å; K174-S178 PolarHBondContact O-N 2.83Å
175F87.3Confident74.9Confident30 Ų3087.4 Ų87.413%0.13247%0.466CS..Hα-helixtrans-62.8-47.1176.8176.5-106.2000111.5K151 T152 F155 D171 M172 E173 S178 L179K151-F175 HydrophobicContact CB-CE2 4.33Å; T152-F175 HydrophobicContact CG2-CE1 4.02Å; T152-F175 HydrophobicContact CG2-CZ 3.58Å; F155-F175 HydrophobicContact CB-CD2 3.81Å; F155-F175 HydrophobicContact CB-CE1 4.45Å; F155-F175 HydrophobicContact CB-CE2 3.66Å; F155-F175 HydrophobicContact CB-CG 4.28Å; F155-F175 HydrophobicContact CB-CZ 4.02Å; F155-F175 AromaticContact CD1-CD1 3.84Å; F155-F175 HydrophobicContact CD1-CD1 3.84Å; F155-F175 HydrophobicContact CD1-CD2 4.4Å; F155-F175 HydrophobicContact CD1-CE1 4.1Å; F155-F175 HydrophobicContact CD1-CG 4.01Å; F155-F175 HydrophobicContact CD1-CZ 4.5Å; F155-F175 HydrophobicContact CD2-CB 3.87Å; F155-F175 HydrophobicContact CD2-CD1 4.44Å; F155-F175 AromaticContact CD2-CD2 3.82Å; F155-F175 HydrophobicContact CD2-CD2 3.82Å; F155-F175 AromaticContact CD2-CG 3.77Å; F155-F175 HydrophobicContact CD2-CG 3.77Å; F155-F175 HydrophobicContact CE1-CB 4.47Å; F155-F175 HydrophobicContact CE1-CD1 4.09Å; F155-F175 HydrophobicContact CE1-CG 4.29Å; F155-F175 HydrophobicContact CE2-CB 3.73Å; F155-F175 HydrophobicContact CE2-CG 4.07Å; F155-F175 HydrophobicContact CG-CB 4.31Å; F155-F175 HydrophobicContact CG-CD1 4.03Å; F155-F175 AromaticContact CG-CD2 3.75Å; F155-F175 HydrophobicContact CG-CD2 3.75Å; F155-F175 HydrophobicContact CG-CE1 4.31Å; F155-F175 HydrophobicContact CG-CE2 4.05Å; F155-F175 AromaticContact CG-CG 3.74Å; F155-F175 HydrophobicContact CG-CG 3.74Å; F155-F175 HydrophobicContact CG-CZ 4.33Å; F155-F175 HydrophobicContact CZ-CB 4.05Å; F155-F175 HydrophobicContact CZ-CG 4.33Å; D171-F175 VanDerWaalsContact O-CB 3.25Å; D171-F175 WeakPolarHBondContact O-CB 3.19Å; D171-F175 PolarHBondContact O-N 2.98Å; M172-F175 WeakPolarHBondContact O-CB 3.06Å; M172-F175 PolarHBondContact O-N 3.49Å; E173-F175 VanDerWaalsContact C-N 3.27Å; E173-F175 PolarHBondContact O-N 3.18Å; F175-S178 WeakPolarHBondContact O-CB 3.48Å; F175-S178 PolarHBondContact O-N 3.13Å; F175-S178 VanDerWaalsContact O-N 3.15Å; F175-S178 PolarHBondContact O-OG 3.09Å; F175-L179 HydrophobicContact CD1-CD1 4.33Å; F175-L179 HydrophobicContact CE1-CD1 3.65Å; F175-L179 HydrophobicContact CE1-CG 4.19Å; F175-L179 HydrophobicContact CE2-CD2 4.22Å; F175-L179 HydrophobicContact CE2-CG 4.43Å; F175-L179 HydrophobicContact CZ-CD1 3.84Å; F175-L179 HydrophobicContact CZ-CD2 3.99Å; F175-L179 HydrophobicContact CZ-CG 4.06Å; F175-L179 WeakPolarHBondContact O-CG 3.4Å; F175-L179 PolarHBondContact O-N 3.28Å; F175-L179 VanDerWaalsContact O-N 3.13Å
176L85.9Confident74Confident86 Ų8691.4 Ų91.445%0.4549%0.49SS..Hα-helixtrans-62.1-43.4176.7-69175.6000111.9M172 E173 S178 L179 N180M172-L176 HydrophobicContact CG-CD1 4.45Å; M172-L176 WeakPolarHBondContact O-CG 3.29Å; M172-L176 PolarHBondContact O-N 3.08Å; E173-L176 PolarHBondContact O-N 2.85Å; L176-S178 VanDerWaalsContact C-N 3.29Å; L176-S178 PolarHBondContact O-N 3.5Å; L176-L179 WeakPolarHBondContact O-CB 3.45Å; L176-L179 PolarHBondContact O-N 3.35Å; L176-L179 VanDerWaalsContact O-N 3.09Å; L176-N180 PolarHBondContact O-N 2.97Å
177H85.8Confident72.7Confident126 Ų12693.4 Ų93.458%0.58349%0.486SS*.Hα-helixtrans-59.1-41172.9-74.2-61000111.9E173 K174 L179 N180 T181E173-H177 PolarHBondContact O-CD2 3.15Å; E173-H177 PolarHBondContact O-N 3.32Å; K174-H177 PolarHBondContact O-N 2.94Å; H177-L179 PolarHBondContact O-N 3.13Å; H177-N180 PolarHBondContact O-N 2.92Å; H177-N180 VanDerWaalsContact O-N 3.16Å; H177-T181 PolarHBondContact O-N 3.47Å; H177-T181 PolarHBondContact O-OG1 2.67Å
178S84.6Confident70.7Confident42 Ų4295.6 Ų95.629%0.29450%0.497SS..Hα-helixtrans-65.4-22.4176.782.60000114.3K174 F175 L176 T181K174-S178 WeakPolarHBondContact O-CB 3.41Å; K174-S178 PolarHBondContact O-N 2.83Å; F175-S178 WeakPolarHBondContact O-CB 3.48Å; F175-S178 PolarHBondContact O-N 3.13Å; F175-S178 VanDerWaalsContact O-N 3.15Å; F175-S178 PolarHBondContact O-OG 3.09Å; L176-S178 VanDerWaalsContact C-N 3.29Å; L176-S178 PolarHBondContact O-N 3.5Å; S178-T181 PolarHBondContact O-OG1 3.28Å
179L80.4Confident68.9Low22 Ų2298.8 Ų98.812%0.11551%0.511CS..Hα-helixtrans-80.5-29.3175.1-67.1-174.6000112.5R148 F175 L176 H177R148-L179 HydrophobicContact CG-CD2 4.08Å; F175-L179 HydrophobicContact CD1-CD1 4.33Å; F175-L179 HydrophobicContact CE1-CD1 3.65Å; F175-L179 HydrophobicContact CE1-CG 4.19Å; F175-L179 HydrophobicContact CE2-CD2 4.22Å; F175-L179 HydrophobicContact CE2-CG 4.43Å; F175-L179 HydrophobicContact CZ-CD1 3.84Å; F175-L179 HydrophobicContact CZ-CD2 3.99Å; F175-L179 HydrophobicContact CZ-CG 4.06Å; F175-L179 WeakPolarHBondContact O-CG 3.4Å; F175-L179 PolarHBondContact O-N 3.28Å; F175-L179 VanDerWaalsContact O-N 3.13Å; L176-L179 WeakPolarHBondContact O-CB 3.45Å; L176-L179 PolarHBondContact O-N 3.35Å; L176-L179 VanDerWaalsContact O-N 3.09Å; H177-L179 PolarHBondContact O-N 3.13Å
180N78.4Confident66.9Low99 Ų99102.3 Ų102.353%0.52952%0.524SS..Hα-helixtrans-85.9-31.9-178.8-67.4-17.6000112.4L176 H177 E182 S183L176-N180 PolarHBondContact O-N 2.97Å; H177-N180 PolarHBondContact O-N 2.92Å; H177-N180 VanDerWaalsContact O-N 3.16Å; N180-E182 VanDerWaalsContact C-N 3.31Å; N180-E182 PolarHBondContact O-N 2.97Å; N180-S183 PolarHBondContact O-N 3.02Å; N180-S183 PolarHBondContact O-OG 3.38Å
181T70.3Confident64.7Low88 Ų88103.5 Ų103.554%0.5453%0.532SS..Hα-helixtrans-63.5-36.4176.648.40000112.2H177 S178 V185H177-T181 PolarHBondContact O-N 3.47Å; H177-T181 PolarHBondContact O-OG1 2.67Å; S178-T181 PolarHBondContact O-OG1 3.28Å; T181-V185 WeakPolarHBondContact O-CG2 3.45Å
182E60.6Low62.8Low93 Ų93107 Ų10744%0.43556%0.555SS.*Hα-helixtrans-75.7-26.3179.3-72.5-173.7163.400114.5K151 N180 N184 V185K151-E182 IonicContact NZ-OE1 2.93Å; K151-E182 PolarHBondContact NZ-OE1 2.78Å; K151-E182 IonicContact NZ-OE2 2.56Å; K151-E182 PolarHBondContact NZ-OE2 3.49Å; N180-E182 VanDerWaalsContact C-N 3.31Å; N180-E182 PolarHBondContact O-N 2.97Å; E182-N184 PolarHBondContact O-N 2.91Å; E182-V185 PolarHBondContact O-N 3.34Å; E182-V185 VanDerWaalsContact O-N 3.11Å
183S58Low60.8Low53 Ų53107.6 Ų107.637%0.37156%0.559SS.*Hα-helixtrans-63.8-20.8176.746.90000112.7N180 T186N180-S183 PolarHBondContact O-N 3.02Å; N180-S183 PolarHBondContact O-OG 3.38Å; S183-T186 PolarHBondContact O-OG1 2.97Å
184N51.7Low58.6Low132 Ų132110.1 Ų110.171%0.70657%0.571SS**THydrogen-bonded Turntrans-89.3-16.5177.3-63.6-15.3000112.9E182 T186E182-N184 PolarHBondContact O-N 2.91Å; N184-T186 PolarHBondContact O-N 2.81Å
185V46.3Very low56.7Low94 Ų94108.5 Ų108.557%0.5757%0.573SS**  trans-95.417.5-174.5-173.90000112.3T181 E182 K187T181-V185 WeakPolarHBondContact O-CG2 3.45Å; E182-V185 PolarHBondContact O-N 3.34Å; E182-V185 VanDerWaalsContact O-N 3.11Å; V185-K187 PolarHBondContact O-N 2.81Å
186T44.5Very low54.6Low118 Ų118113.8 Ų113.872%0.72460%0.602SS**  trans-71.79.2172.332.10000114.6S183 N184S183-T186 PolarHBondContact O-OG1 2.97Å; N184-T186 PolarHBondContact O-N 2.81Å
187K42.8Very low52.7Low167 Ų167115.6 Ų115.673%0.72661%0.611SS**SBendtrans-94112.8167-63.7-178.5-180-178.30107.8V185V185-K187 PolarHBondContact O-N 2.81Å
188N35.9Very low50.9Low142 Ų142114.4 Ų114.476%0.75961%0.614SS**SBendtrans77.679.8163.9-42-19.8000115.3
189N37.1Very low49.2Very low139 Ų139123.6 Ų123.674%0.74364%0.643SS**  trans-156.481.8148.1-88-38.1000107.8E191N189-E191 PolarHBondContact O-N 3.31Å
190E38.3Very low47.9Very low197 Ų197131.4 Ų131.492%0.92168%0.676SS**  trans-75.217.2164.7-71.2-165144.500112.2V192E190-V192 PolarHBondContact O-N 3.02Å; E190-V192 VanDerWaalsContact O-N 3.14Å
191E35.6Very low46.8Very low154 Ų154136 Ų13672%0.7269%0.691SS**  trans-71.2118.7172.2-139.5176.2-172.200108.4N189 D193N189-E191 PolarHBondContact O-N 3.31Å; E191-D193 PolarHBondContact O-N 3.28Å
192V40.1Very low46.3Very low130 Ų130137.2 Ų137.279%0.78870%0.701SS**  trans-62.776172.3-176.40000106.9E190 E194E190-V192 PolarHBondContact O-N 3.02Å; E190-V192 VanDerWaalsContact O-N 3.14Å; V192-E194 PolarHBondContact O-N 2.87Å
193D42.2Very low46.5Very low97 Ų97142 Ų14252%0.51972%0.72SS.*  trans-6682.1164.9-95.7-24.7000105.4K147 E191 V195K147-D193 IonicContact NZ-OD2 3.69Å; E191-D193 PolarHBondContact O-N 3.28Å; D193-V195 VanDerWaalsContact C-N 3.34Å; D193-V195 PolarHBondContact O-N 3.38Å
194E39.3Very low46.9Very low164 Ų164149.7 Ų149.777%0.76675%0.747SS**  trans-40.8111.6154.4-85-158.3150.400105.4V192 L196V192-E194 PolarHBondContact O-N 2.87Å; E194-L196 VanDerWaalsContact C-N 3.29Å; E194-L196 PolarHBondContact O-N 3.17Å
195V45.6Very low47.6Very low105 Ų105149.9 Ų149.964%0.63675%0.745SS**  trans-41.6102-179.5179.10000106.9D193 L197D193-V195 VanDerWaalsContact C-N 3.34Å; D193-V195 PolarHBondContact O-N 3.38Å; V195-L197 HydrophobicContact CG1-CD2 4.16Å; V195-L197 HydrophobicContact CG1-CG 4.01Å; V195-L197 PolarHBondContact O-N 2.94Å
196L43.3Very low49.2Very low142 Ų142149.2 Ų149.274%0.74374%0.738SS**  trans-64.470.4169.5-89.6147.2000105.5E194E194-L196 VanDerWaalsContact C-N 3.29Å; E194-L196 PolarHBondContact O-N 3.17Å
197L46Very low50.8Low124 Ų124146.8 Ų146.865%0.64973%0.73SS**  trans-52.7134.3159.9-76.4175.6000104.3V195 R199V195-L197 HydrophobicContact CG1-CD2 4.16Å; V195-L197 HydrophobicContact CG1-CG 4.01Å; V195-L197 PolarHBondContact O-N 2.94Å; L197-R199 PolarHBondContact O-N 3.34Å
198P48.6Very low52.8Low100 Ų100146.1 Ų146.165%0.64973%0.729SS**  trans-54.3112.9-178-15.926.3000106.2K200P198-K200 PolarHBondContact O-N 2.93Å
199R48.1Very low55.1Low236 Ų236146.3 Ų146.389%0.89172%0.723SS**  trans-60.785.8158.6-75.7-177.7170.9175.7-1.4103.1L197 K201L197-R199 PolarHBondContact O-N 3.34Å; R199-K201 VanDerWaalsContact C-N 3.32Å; R199-K201 PolarHBondContact O-N 2.92Å
200K52.5Low57.3Low186 Ų186145.3 Ų145.381%0.80971%0.712SS**  trans-51.4112.3164.7-74.5-165.4174.9-166.10102.5P198P198-K200 PolarHBondContact O-N 2.93Å
201K55.4Low59.5Low195 Ų195141.8 Ų141.885%0.84870%0.697SS**PPolyproline II helixtrans-46.5121.7176-67.5-170.6179.1-175.60104.9R199 K203R199-K201 VanDerWaalsContact C-N 3.32Å; R199-K201 PolarHBondContact O-N 2.92Å; K201-K203 PolarHBondContact O-N 3.17Å; K201-K203 VanDerWaalsContact O-N 3.11Å
202P59.9Low62Low114 Ų114140.9 Ų140.974%0.7469%0.691SS**PPolyproline II helixtrans-49.9130.2-178.218.8-29.9000106.2K204P202-K204 PolarHBondContact O-N 3.21Å
203K65.2Low64.3Low193 Ų193138.7 Ų138.784%0.83968%0.675SS**PPolyproline II helixtrans-47.9124.1171.7-81.9-173.7172.9-170.80105.2K201 M205K201-K203 PolarHBondContact O-N 3.17Å; K201-K203 VanDerWaalsContact O-N 3.11Å; K203-M205 PolarHBondContact O-N 3.48Å
204K65.7Low66.4Low214 Ų214136.9 Ų136.993%0.9367%0.665SS**  trans-61.786.3175.6-67-173.2179.4-174.40106.4P202P202-K204 PolarHBondContact O-N 3.21Å
205M66.3Low68.6Low137 Ų137134.4 Ų134.468%0.67566%0.657SS**  trans-78137.3162.5-72.1-160.167.800105.5K203 A207K203-M205 PolarHBondContact O-N 3.48Å; M205-A207 PolarHBondContact O-N 2.83Å; M205-A207 VanDerWaalsContact O-N 3.11Å
206D80.7Confident70.7Confident80 Ų80135.6 Ų135.643%0.42866%0.655SS.*  trans-51.8118.6171.1-178.3-4.7000109.1Q208 K209 K210D206-Q208 PolarHBondContact O-N 3.36Å; D206-Q208 PolarHBondContact OD1-N 3.5Å; D206-K209 HydrophobicContact CB-CB 4.23Å; D206-K209 HydrophobicContact CB-CD 4.2Å; D206-K209 HydrophobicContact CB-CG 4.14Å; D206-K209 PolarHBondContact O-N 2.88Å; D206-K210 PolarHBondContact O-N 3.22Å
207A78.9Confident73Confident66 Ų66130.5 Ų130.555%0.54563%0.629SS.*Hα-helixtrans-59.6-35.1-174.100000111M205 K210 M211M205-A207 PolarHBondContact O-N 2.83Å; M205-A207 VanDerWaalsContact O-N 3.11Å; A207-K210 PolarHBondContact O-N 3.43Å; A207-M211 WeakPolarHBondContact O-CB 3.4Å; A207-M211 WeakPolarHBondContact O-CG 3.31Å; A207-M211 PolarHBondContact O-N 3.19Å
208Q83.6Confident75.1Confident153 Ų153128.6 Ų128.672%0.71562%0.619SS**Hα-helixtrans-66-45.4178.1-69.9-172.6-11.300111.7D206 K210 M211 K212D206-Q208 PolarHBondContact O-N 3.36Å; D206-Q208 PolarHBondContact OD1-N 3.5Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 PolarHBondContact O-N 2.85Å; Q208-M211 PolarHBondContact O-N 2.69Å; Q208-K212 WeakPolarHBondContact O-CB 3.49Å; Q208-K212 PolarHBondContact O-N 3.39Å
209K84.4Confident77.2Confident146 Ų146128 Ų12864%0.63562%0.615SS**Hα-helixtrans-62-38.8175.9-69.8-175.3-175.7-179.30111.8D206 N213D206-K209 HydrophobicContact CB-CB 4.23Å; D206-K209 HydrophobicContact CB-CD 4.2Å; D206-K209 HydrophobicContact CB-CG 4.14Å; D206-K209 PolarHBondContact O-N 2.88Å; K209-N213 WeakPolarHBondContact O-CB 3.47Å; K209-N213 PolarHBondContact O-N 3.02Å
210K84.3Confident79.3Confident118 Ų118123.5 Ų123.551%0.51360%0.602SS.*Hα-helixtrans-64.9-48175.9-170.8-171.8171.8-162.50111.2D206 A207 Q208 K212 N213 D214D206-K210 PolarHBondContact O-N 3.22Å; A207-K210 PolarHBondContact O-N 3.43Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 PolarHBondContact O-N 2.85Å; K210-K212 PolarHBondContact O-N 3.03Å; K210-N213 PolarHBondContact O-N 3.48Å; K210-D214 WeakPolarHBondContact O-CB 3.42Å; K210-D214 VanDerWaalsContact O-CG 3.22Å; K210-D214 PolarHBondContact O-N 3.41Å
211M84Confident81.2Confident123 Ų123117.3 Ų117.361%0.60658%0.578SS**Hα-helixtrans-58.9-46.1177.1-75178.363.500111.7A207 Q208 N213 D214 L215A207-M211 WeakPolarHBondContact O-CB 3.4Å; A207-M211 WeakPolarHBondContact O-CG 3.31Å; A207-M211 PolarHBondContact O-N 3.19Å; Q208-M211 PolarHBondContact O-N 2.69Å; M211-N213 PolarHBondContact O-N 2.83Å; M211-D214 PolarHBondContact O-N 3.48Å; M211-L215 VanDerWaalsContact O-CG 3.31Å; M211-L215 WeakPolarHBondContact O-CG 3.3Å; M211-L215 PolarHBondContact O-N 3.17Å
212K88.1Confident83.1Confident136 Ų136113 Ų11359%0.59156%0.563SS**Hα-helixtrans-58.2-47.5176.6-175176.3177.9177.80111.7Q208 K210 D214 L215 E216Q208-K212 WeakPolarHBondContact O-CB 3.49Å; Q208-K212 PolarHBondContact O-N 3.39Å; K210-K212 PolarHBondContact O-N 3.03Å; K212-D214 VanDerWaalsContact C-N 3.33Å; K212-D214 PolarHBondContact O-N 2.85Å; K212-L215 PolarHBondContact O-N 3.29Å; K212-E216 WeakPolarHBondContact CE-OE1 3.45Å; K212-E216 WeakPolarHBondContact O-CG 3.42Å; K212-E216 PolarHBondContact O-N 2.96Å
213N87.5Confident84.8Confident84 Ų84114.2 Ų114.245%0.44956%0.557SS.*Hα-helixtrans-63.9-36.7176.9177.772.3000112.7K209 K210 M211 N217K209-N213 WeakPolarHBondContact O-CB 3.47Å; K209-N213 PolarHBondContact O-N 3.02Å; K210-N213 PolarHBondContact O-N 3.48Å; M211-N213 PolarHBondContact O-N 2.83Å; N213-N217 WeakPolarHBondContact O-CB 3.49Å; N213-N217 PolarHBondContact O-N 2.87Å; N213-N217 VanDerWaalsContact O-N 3.16Å; N213-N217 PolarHBondContact O-ND2 3.25Å; N213-N217 PolarHBondContact OD1-ND2 3.09Å
214D87Confident86.2Confident58 Ų58111.1 Ų111.131%0.3155%0.545SS..Hα-helixtrans-68.6-37.9176.9-69.2-14.9000110.9K210 M211 K212 N217 L218 L221K210-D214 WeakPolarHBondContact O-CB 3.42Å; K210-D214 VanDerWaalsContact O-CG 3.22Å; K210-D214 PolarHBondContact O-N 3.41Å; M211-D214 PolarHBondContact O-N 3.48Å; K212-D214 VanDerWaalsContact C-N 3.33Å; K212-D214 PolarHBondContact O-N 2.85Å; D214-N217 CarbonylContact O-C 3.57Å; D214-N217 PolarHBondContact O-N 2.88Å; D214-L218 PolarHBondContact O-N 3.03Å; D214-L218 VanDerWaalsContact O-N 3.17Å; D214-L221 HydrophobicContact CB-CD1 4.17Å; D214-L221 WeakPolarHBondContact O-CD1 3.49Å
215L85.8Confident87.6Confident113 Ų113106.1 Ų106.159%0.59253%0.528SS*.Hα-helixtrans-64.9-45.3174.5-70.4176.3000112.4M211 K212 N217 L218M211-L215 VanDerWaalsContact O-CG 3.31Å; M211-L215 WeakPolarHBondContact O-CG 3.3Å; M211-L215 PolarHBondContact O-N 3.17Å; K212-L215 PolarHBondContact O-N 3.29Å; L215-N217 PolarHBondContact O-N 3.03Å; L215-L218 HydrophobicContact CD2-CD1 4.04Å; L215-L218 WeakPolarHBondContact O-CD1 3.4Å; L215-L218 VanDerWaalsContact O-CG 3.29Å; L215-L218 WeakPolarHBondContact O-CG 3.48Å; L215-L218 PolarHBondContact O-N 3.06Å
216E89.4Confident89Confident129 Ų129107.4 Ų107.460%0.60353%0.529SS*.Hα-helixtrans-63.8-28.7176.6-72.5172.8-169.800112.4K212K212-E216 WeakPolarHBondContact CE-OE1 3.45Å; K212-E216 WeakPolarHBondContact O-CG 3.42Å; K212-E216 PolarHBondContact O-N 2.96Å
217N90.4Very high89.7Confident35 Ų35112.2 Ų112.219%0.18754%0.542CS..THydrogen-bonded Turntrans-101.612.2-177.6-69.4-69.7000114.5N213 D214 L215 P219 K220 L221N213-N217 WeakPolarHBondContact O-CB 3.49Å; N213-N217 PolarHBondContact O-N 2.87Å; N213-N217 VanDerWaalsContact O-N 3.16Å; N213-N217 PolarHBondContact O-ND2 3.25Å; N213-N217 PolarHBondContact OD1-ND2 3.09Å; D214-N217 CarbonylContact O-C 3.57Å; D214-N217 PolarHBondContact O-N 2.88Å; L215-N217 PolarHBondContact O-N 3.03Å; N217-P219 VanDerWaalsContact C-CD 3.49Å; N217-K220 WeakPolarHBondContact O-CB 3.39Å; N217-K220 PolarHBondContact O-N 2.94Å; N217-K220 PolarHBondContact OD1-NZ 3.23Å; N217-L221 PolarHBondContact O-N 2.77Å
218L91.2Very high90.5Very high84 Ų84112.4 Ų112.444%0.4453%0.531SS..Hα-helixtrans-48-45.8-177.6-77.3171.2000114.4D214 L215 K220 L221 L222D214-L218 PolarHBondContact O-N 3.03Å; D214-L218 VanDerWaalsContact O-N 3.17Å; L215-L218 HydrophobicContact CD2-CD1 4.04Å; L215-L218 WeakPolarHBondContact O-CD1 3.4Å; L215-L218 VanDerWaalsContact O-CG 3.29Å; L215-L218 WeakPolarHBondContact O-CG 3.48Å; L215-L218 PolarHBondContact O-N 3.06Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.3Å; L218-L221 PolarHBondContact O-N 3.08Å; L218-L222 WeakPolarHBondContact O-CG 3.42Å; L218-L222 PolarHBondContact O-N 3.25Å
219P93.2Very high91.1Very high88 Ų88111.5 Ų111.557%0.57153%0.525SS*.Hα-helixtrans-62.5-34.1178.7-2435.1000113.6N217 K223N217-P219 VanDerWaalsContact C-CD 3.49Å; P219-K223 WeakPolarHBondContact O-CG 3.45Å; P219-K223 PolarHBondContact O-N 3.18Å
220K92.3Very high91.7Very high142 Ų142110.2 Ų110.262%0.61752%0.519SS*.Hα-helixtrans-72-43.3176.4-64.4177.5-169.9156.60110.5N217 L218 L222 K223 E224N217-K220 WeakPolarHBondContact O-CB 3.39Å; N217-K220 PolarHBondContact O-N 2.94Å; N217-K220 PolarHBondContact OD1-NZ 3.23Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.3Å; K220-L222 PolarHBondContact O-N 3.01Å; K220-K223 WeakPolarHBondContact O-CB 3.47Å; K220-K223 PolarHBondContact O-N 2.91Å; K220-E224 PolarHBondContact O-N 3.17Å
221L92.4Very high92.2Very high56 Ų56107 Ų10729%0.29351%0.51SS..Hα-helixtrans-60.3-44176.8-69.5173.9000111.3D214 N217 L218 K223 E224 I225D214-L221 HydrophobicContact CB-CD1 4.17Å; D214-L221 WeakPolarHBondContact O-CD1 3.49Å; N217-L221 PolarHBondContact O-N 2.77Å; L218-L221 PolarHBondContact O-N 3.08Å; L221-K223 PolarHBondContact O-N 3.11Å; L221-E224 PolarHBondContact O-N 3.13Å; L221-I225 VanDerWaalsContact O-CG1 3.27Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 3.06Å
222L94.7Very high92.7Very high105 Ų105108.3 Ų108.355%0.5551%0.508SS..Hα-helixtrans-62.6-39.8175.8-70.7176.1000112.5L218 K220 E224 I225 K226L218-L222 WeakPolarHBondContact O-CG 3.42Å; L218-L222 PolarHBondContact O-N 3.25Å; K220-L222 PolarHBondContact O-N 3.01Å; L222-E224 VanDerWaalsContact C-N 3.35Å; L222-I225 PolarHBondContact O-N 3.45Å; L222-K226 WeakPolarHBondContact O-CG 3.41Å; L222-K226 PolarHBondContact O-N 3.33Å
223K95.4Very high93Very high138 Ų138106.5 Ų106.560%0.650%0.502SS*.Hα-helixtrans-63.3-41173.6-76.7178.2-178.7178.60111.5P219 K220 L221 R227P219-K223 WeakPolarHBondContact O-CG 3.45Å; P219-K223 PolarHBondContact O-N 3.18Å; K220-K223 WeakPolarHBondContact O-CB 3.47Å; K220-K223 PolarHBondContact O-N 2.91Å; L221-K223 PolarHBondContact O-N 3.11Å; K223-R227 VanDerWaalsContact O-CG 3.31Å; K223-R227 WeakPolarHBondContact O-CG 3.21Å; K223-R227 PolarHBondContact O-N 2.97Å; K223-R227 VanDerWaalsContact O-N 3.08Å
224E94Very high93.3Very high128 Ų128109.9 Ų109.960%0.59851%0.508SS*.Hα-helixtrans-66.2-45.3177.2-171173-17600111.9K220 L221 L222 K226 R227 E228K220-E224 PolarHBondContact O-N 3.17Å; L221-E224 PolarHBondContact O-N 3.13Å; L222-E224 VanDerWaalsContact C-N 3.35Å; E224-K226 VanDerWaalsContact C-N 3.33Å; E224-K226 PolarHBondContact O-N 3.07Å; E224-R227 WeakPolarHBondContact O-CB 3.42Å; E224-R227 PolarHBondContact O-N 2.88Å; E224-R227 VanDerWaalsContact O-N 3.14Å; E224-E228 WeakPolarHBondContact O-CB 3.38Å; E224-E228 PolarHBondContact O-N 3.38Å
225I95.3Very high93.6Very high109 Ų109114.7 Ų114.756%0.55952%0.522SS*.Hα-helixtrans-58.4-44.5175.9-68.9164.9000110.9L221 L222 R227 E228 K229L221-I225 VanDerWaalsContact O-CG1 3.27Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 3.06Å; L222-I225 PolarHBondContact O-N 3.45Å; I225-R227 PolarHBondContact O-N 3.44Å; I225-E228 PolarHBondContact O-N 3.3Å; I225-K229 WeakPolarHBondContact O-CB 3.41Å; I225-K229 PolarHBondContact O-N 3.47Å
226K96.5Very high94.1Very high164 Ų164117 Ų11771%0.71353%0.527SS*.Hα-helixtrans-61.6-42.6175.6-75.3-177.2179.3-175.70112.1L222 E224 K230L222-K226 WeakPolarHBondContact O-CG 3.41Å; L222-K226 PolarHBondContact O-N 3.33Å; E224-K226 VanDerWaalsContact C-N 3.33Å; E224-K226 PolarHBondContact O-N 3.07Å; K226-K230 PolarHBondContact O-N 3.35Å; K226-K230 VanDerWaalsContact O-N 3.09Å
227R95.2Very high94.4Very high182 Ų182116.6 Ų116.669%0.68753%0.529SS*.Hα-helixtrans-64.9-42.3176.5-72.8174-174.5-178.91.4112K223 E224 I225 K230 T231K223-R227 VanDerWaalsContact O-CG 3.31Å; K223-R227 WeakPolarHBondContact O-CG 3.21Å; K223-R227 PolarHBondContact O-N 2.97Å; K223-R227 VanDerWaalsContact O-N 3.08Å; E224-R227 WeakPolarHBondContact O-CB 3.42Å; E224-R227 PolarHBondContact O-N 2.88Å; E224-R227 VanDerWaalsContact O-N 3.14Å; I225-R227 PolarHBondContact O-N 3.44Å; R227-K230 PolarHBondContact O-N 3.27Å; R227-T231 WeakPolarHBondContact O-CB 3.31Å; R227-T231 PolarHBondContact O-N 2.94Å; R227-T231 PolarHBondContact O-OG1 2.64Å
228E95.6Very high94.6Very high69 Ų69117.6 Ų117.632%0.32254%0.541SS..Hα-helixtrans-66.6-42.6178.2178.759.9-164.900110.9E224 I225 K230 T231 R232E224-E228 WeakPolarHBondContact O-CB 3.38Å; E224-E228 PolarHBondContact O-N 3.38Å; I225-E228 PolarHBondContact O-N 3.3Å; E228-K230 PolarHBondContact O-N 2.9Å; E228-T231 PolarHBondContact O-N 3.05Å; E228-T231 VanDerWaalsContact O-N 3.15Å; E228-R232 WeakPolarHBondContact O-CG 3.34Å; E228-R232 PolarHBondContact O-N 2.68Å; E228-R232 IonicContact OE1-CZ 3.82Å; E228-R232 IonicContact OE1-NE 2.72Å; E228-R232 PolarHBondContact OE1-NE 2.95Å; E228-R232 IonicContact OE1-NH2 3.06Å
229K96.6Very high94.7Very high134 Ų134115.9 Ų115.958%0.58354%0.54SS*.Hα-helixtrans-57.7-49.7174.4-171.6179.4176.8-177.30111.5I225 T231 R232 E233I225-K229 WeakPolarHBondContact O-CB 3.41Å; I225-K229 PolarHBondContact O-N 3.47Å; K229-T231 VanDerWaalsContact C-N 3.27Å; K229-T231 PolarHBondContact O-N 3.26Å; K229-R232 PolarHBondContact O-N 2.87Å; K229-E233 WeakPolarHBondContact CE-OE1 3.25Å; K229-E233 PolarHBondContact O-N 3.2Å
230K96Very high94.8Very high119 Ų119118 Ų11852%0.51754%0.54SS..Hα-helixtrans-58.6-38.7175.5-174.4174.4-176.2172.10112.3K226 R227 E228 R234K226-K230 PolarHBondContact O-N 3.35Å; K226-K230 VanDerWaalsContact O-N 3.09Å; R227-K230 PolarHBondContact O-N 3.27Å; E228-K230 PolarHBondContact O-N 2.9Å; K230-R234 WeakPolarHBondContact O-CG 3.37Å; K230-R234 PolarHBondContact O-N 3.06Å; K230-R234 VanDerWaalsContact O-N 3.08Å
231T95Very high94.9Very high52 Ų52113.6 Ų113.632%0.31953%0.53SS..Hα-helixtrans-69.1-40.7178.3-570000111.6R227 E228 K229 R234 R235R227-T231 WeakPolarHBondContact O-CB 3.31Å; R227-T231 PolarHBondContact O-N 2.94Å; R227-T231 PolarHBondContact O-OG1 2.64Å; E228-T231 PolarHBondContact O-N 3.05Å; E228-T231 VanDerWaalsContact O-N 3.15Å; K229-T231 VanDerWaalsContact C-N 3.27Å; K229-T231 PolarHBondContact O-N 3.26Å; T231-R234 PolarHBondContact O-N 2.77Å; T231-R235 WeakPolarHBondContact O-CG 3.35Å; T231-R235 PolarHBondContact O-N 3.39Å
232R94.4Very high94.9Very high150 Ų150118.2 Ų118.257%0.56655%0.547SS*.Hα-helixtrans-63.5-43.1175.1-72.7178.9-176.1-168.40.4111.9E228 K229 R235 K236E228-R232 WeakPolarHBondContact O-CG 3.34Å; E228-R232 PolarHBondContact O-N 2.68Å; E228-R232 IonicContact OE1-CZ 3.82Å; E228-R232 IonicContact OE1-NE 2.72Å; E228-R232 PolarHBondContact OE1-NE 2.95Å; E228-R232 IonicContact OE1-NH2 3.06Å; K229-R232 PolarHBondContact O-N 2.87Å; R232-R235 PolarHBondContact O-N 3.17Å; R232-K236 WeakPolarHBondContact O-CG 3.32Å; R232-K236 PolarHBondContact O-N 2.73Å
233E95.6Very high94.9Very high98 Ų98117.7 Ų117.746%0.45855%0.545SS..Hα-helixtrans-61.3-45.2175.6-74.2173-175.200111.9K229 R235 K236 L237K229-E233 WeakPolarHBondContact CE-OE1 3.25Å; K229-E233 PolarHBondContact O-N 3.2Å; E233-R235 VanDerWaalsContact C-N 3.33Å; E233-R235 PolarHBondContact O-N 3.3Å; E233-K236 PolarHBondContact O-N 2.7Å; E233-L237 WeakPolarHBondContact O-CG 3.07Å; E233-L237 PolarHBondContact O-N 3.14Å
234R94Very high94.7Very high155 Ų155115.3 Ų115.359%0.58554%0.536SS*.Hα-helixtrans-58.5-41.4173.3-74.2174.8173.8-173-6.1112.8K230 T231 L237 A238K230-R234 WeakPolarHBondContact O-CG 3.37Å; K230-R234 PolarHBondContact O-N 3.06Å; K230-R234 VanDerWaalsContact O-N 3.08Å; T231-R234 PolarHBondContact O-N 2.77Å; R234-L237 PolarHBondContact O-N 2.79Å; R234-A238 WeakPolarHBondContact O-CB 3.44Å; R234-A238 PolarHBondContact O-N 3.16Å
235R93.3Very high94.4Very high158 Ų158112.9 Ų112.960%0.59653%0.53SS*.Hα-helixtrans-64.3-42.3175.9-72.5179.7-168.71598.8111.7T231 R232 E233 A238 A239T231-R235 WeakPolarHBondContact O-CG 3.35Å; T231-R235 PolarHBondContact O-N 3.39Å; R232-R235 PolarHBondContact O-N 3.17Å; E233-R235 VanDerWaalsContact C-N 3.33Å; E233-R235 PolarHBondContact O-N 3.3Å; R235-A238 PolarHBondContact O-N 3.35Å; R235-A239 WeakPolarHBondContact O-CB 3.27Å; R235-A239 PolarHBondContact O-N 2.98Å
236K95.9Very high93.9Very high162 Ų162115.3 Ų115.370%0.70453%0.532SS*.Hα-helixtrans-61.1-46.8175.4-73.8-176.1176.6-1720111.5R232 E233 A239 K240R232-K236 WeakPolarHBondContact O-CG 3.32Å; R232-K236 PolarHBondContact O-N 2.73Å; E233-K236 PolarHBondContact O-N 2.7Å; K236-A239 PolarHBondContact O-N 2.89Å; K236-K240 PolarHBondContact O-N 3.05Å
237L94.7Very high93.6Very high121 Ų121111.2 Ų111.263%0.63452%0.518SS*.Hα-helixtrans-61.3-46176.7-74.2169.5000112.3E233 R234 A239 K240 A241E233-L237 WeakPolarHBondContact O-CG 3.07Å; E233-L237 PolarHBondContact O-N 3.14Å; R234-L237 PolarHBondContact O-N 2.79Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 3.19Å; L237-K240 PolarHBondContact O-N 2.74Å; L237-A241 PolarHBondContact O-N 2.78Å
238A94.1Very high93.2Very high55 Ų55109.4 Ų109.446%0.45552%0.515SS..Hα-helixtrans-63.4-37.6177.700000112.5R234 R235 K242R234-A238 WeakPolarHBondContact O-CB 3.44Å; R234-A238 PolarHBondContact O-N 3.16Å; R235-A238 PolarHBondContact O-N 3.35Å; A238-K242 WeakPolarHBondContact O-CG 3.48Å; A238-K242 PolarHBondContact O-N 3.17Å; A238-K242 VanDerWaalsContact O-N 3.09Å
239A94.8Very high92.4Very high49 Ų49111.7 Ų111.741%0.40553%0.529SS..Hα-helixtrans-66-42.8174.400000111.7R235 K236 L237 K242 N243R235-A239 WeakPolarHBondContact O-CB 3.27Å; R235-A239 PolarHBondContact O-N 2.98Å; K236-A239 PolarHBondContact O-N 2.89Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 3.19Å; A239-K242 PolarHBondContact O-N 2.88Å; A239-N243 PolarHBondContact O-N 3.35Å
240K95.6Very high91.6Very high132 Ų132111.9 Ų111.957%0.57453%0.53SS*.Hα-helixtrans-60.8-48.5175.6-169.8-177.2179.7-171.50111.6K236 L237 K242 N243 E244K236-K240 PolarHBondContact O-N 3.05Å; L237-K240 PolarHBondContact O-N 2.74Å; K240-K242 VanDerWaalsContact C-N 3.3Å; K240-K242 PolarHBondContact O-N 3.13Å; K240-N243 PolarHBondContact O-N 3.17Å; K240-N243 VanDerWaalsContact O-N 3.1Å; K240-E244 WeakPolarHBondContact CE-OE1 3.37Å; K240-E244 WeakPolarHBondContact O-CG 3.41Å; K240-E244 PolarHBondContact O-N 2.81Å
241A93.7Very high90.9Very high49 Ų49114.7 Ų114.741%0.40554%0.542SS..Hα-helixtrans-58.1-41176.800000112.2L237 E244 T245L237-A241 PolarHBondContact O-N 2.78Å; A241-E244 PolarHBondContact O-N 3.04Å; A241-T245 WeakPolarHBondContact O-CG2 3.33Å; A241-T245 PolarHBondContact O-N 2.83Å; A241-T245 PolarHBondContact O-OG1 2.99Å
242K93Very high90.1Very high153 Ų153116 Ų11667%0.66555%0.55SS*.Hα-helixtrans-63.3-43.7174.5-77.6-175.1176.6-1690112.6A238 A239 K240 T245 R246A238-K242 WeakPolarHBondContact O-CG 3.48Å; A238-K242 PolarHBondContact O-N 3.17Å; A238-K242 VanDerWaalsContact O-N 3.09Å; A239-K242 PolarHBondContact O-N 2.88Å; K240-K242 VanDerWaalsContact C-N 3.3Å; K240-K242 PolarHBondContact O-N 3.13Å; K242-T245 WeakPolarHBondContact CA-OG1 3.39Å; K242-T245 PolarHBondContact O-N 2.93Å; K242-T245 PolarHBondContact O-OG1 3.18Å; K242-R246 WeakPolarHBondContact O-CB 3.39Å; K242-R246 PolarHBondContact O-N 3.3Å
243N93.2Very high89Confident95 Ų95115.2 Ų115.251%0.50856%0.557SS.*Hα-helixtrans-62.9-44.5177.2-70.7-11.7000111A239 K240 T245 R246 D247A239-N243 PolarHBondContact O-N 3.35Å; K240-N243 PolarHBondContact O-N 3.17Å; K240-N243 VanDerWaalsContact O-N 3.1Å; N243-T245 PolarHBondContact O-N 3.41Å; N243-R246 WeakPolarHBondContact O-CA 3.39Å; N243-R246 WeakPolarHBondContact O-CB 3.5Å; N243-R246 PolarHBondContact O-N 2.67Å; N243-D247 VanDerWaalsContact O-CG 3.31Å; N243-D247 PolarHBondContact O-N 2.91Å
244E93Very high87.6Confident87 Ų87116 Ų11641%0.40756%0.564SS.*Hα-helixtrans-59.1-43.2175.1-70.9170.5-168.900112.2K240 A241 R246 D247 K248K240-E244 WeakPolarHBondContact CE-OE1 3.37Å; K240-E244 WeakPolarHBondContact O-CG 3.41Å; K240-E244 PolarHBondContact O-N 2.81Å; A241-E244 PolarHBondContact O-N 3.04Å; E244-R246 VanDerWaalsContact C-N 3.3Å; E244-R246 PolarHBondContact O-N 3Å; E244-D247 PolarHBondContact O-N 2.93Å; E244-K248 VanDerWaalsContact O-CG 3.32Å; E244-K248 WeakPolarHBondContact O-CG 3.46Å; E244-K248 PolarHBondContact O-N 3.28Å
245T87.1Confident86.4Confident77 Ų77115.4 Ų115.447%0.47257%0.572SS.*Hα-helixtrans-62.6-38.1174.455.50000112.3A241 K242 N243 K248 L249A241-T245 WeakPolarHBondContact O-CG2 3.33Å; A241-T245 PolarHBondContact O-N 2.83Å; A241-T245 PolarHBondContact O-OG1 2.99Å; K242-T245 WeakPolarHBondContact CA-OG1 3.39Å; K242-T245 PolarHBondContact O-N 2.93Å; K242-T245 PolarHBondContact O-OG1 3.18Å; N243-T245 PolarHBondContact O-N 3.41Å; T245-K248 PolarHBondContact O-N 3.41Å; T245-L249 WeakPolarHBondContact O-CB 3.27Å; T245-L249 WeakPolarHBondContact O-CD1 3.41Å; T245-L249 WeakPolarHBondContact O-CG 3.29Å; T245-L249 PolarHBondContact O-N 3.02Å
246R85.5Confident85Confident161 Ų161113.6 Ų113.661%0.60857%0.573SS**Hα-helixtrans-67.4-41177.8-172.9-179.6-177.8-174.8-1111.3K242 N243 E244 L249 K250K242-R246 WeakPolarHBondContact O-CB 3.39Å; K242-R246 PolarHBondContact O-N 3.3Å; N243-R246 WeakPolarHBondContact O-CA 3.39Å; N243-R246 WeakPolarHBondContact O-CB 3.5Å; N243-R246 PolarHBondContact O-N 2.67Å; E244-R246 VanDerWaalsContact C-N 3.3Å; E244-R246 PolarHBondContact O-N 3Å; R246-L249 PolarHBondContact O-N 2.72Å; R246-K250 WeakPolarHBondContact O-CG 3.29Å; R246-K250 PolarHBondContact O-N 3.11Å
247D89.2Confident83.6Confident78 Ų78110.2 Ų110.242%0.41757%0.568SS.*Hα-helixtrans-69.4-36.6178.4-65.1-25.8000111.5N243 E244 K250 K251N243-D247 VanDerWaalsContact O-CG 3.31Å; N243-D247 PolarHBondContact O-N 2.91Å; E244-D247 PolarHBondContact O-N 2.93Å; D247-K250 PolarHBondContact O-N 3.18Å; D247-K251 WeakPolarHBondContact O-CG 3.48Å; D247-K251 PolarHBondContact O-N 2.98Å
248K86.4Confident82.2Confident143 Ų143112.9 Ų112.962%0.62258%0.575SS**Hα-helixtrans-60.6-50169.3-72.4176.1-176.7-176.50111.3E244 T245 K250 K251 V252E244-K248 VanDerWaalsContact O-CG 3.32Å; E244-K248 WeakPolarHBondContact O-CG 3.46Å; E244-K248 PolarHBondContact O-N 3.28Å; T245-K248 PolarHBondContact O-N 3.41Å; K248-K250 VanDerWaalsContact C-N 3.31Å; K248-K250 PolarHBondContact O-N 3.5Å; K248-K251 PolarHBondContact O-N 2.68Å; K248-K251 VanDerWaalsContact O-N 3.08Å; K248-V252 WeakPolarHBondContact O-CG2 3.47Å; K248-V252 PolarHBondContact O-N 3.43Å
249L79.9Confident80.8Confident118 Ų118114.5 Ų114.562%0.61857%0.573SS**Hα-helixtrans-58.6-39178.2-85.5155.9000112.9T245 R246 K251 V252T245-L249 WeakPolarHBondContact O-CB 3.27Å; T245-L249 WeakPolarHBondContact O-CD1 3.41Å; T245-L249 WeakPolarHBondContact O-CG 3.29Å; T245-L249 PolarHBondContact O-N 3.02Å; R246-L249 PolarHBondContact O-N 2.72Å; L249-K251 VanDerWaalsContact C-N 3.29Å; L249-K251 PolarHBondContact O-N 2.78Å; L249-V252 PolarHBondContact O-N 3.18Å
250K80.2Confident79.1Confident138 Ų138116.1 Ų116.160%0.657%0.574SS**Hα-helixtrans-64.6-31.8175.8-76.6176.6178.5178.40113.4R246 D247 K248 V252R246-K250 WeakPolarHBondContact O-CG 3.29Å; R246-K250 PolarHBondContact O-N 3.11Å; D247-K250 PolarHBondContact O-N 3.18Å; K248-K250 VanDerWaalsContact C-N 3.31Å; K248-K250 PolarHBondContact O-N 3.5Å; K250-V252 VanDerWaalsContact C-N 3.34Å
251K80Confident77.6Confident177 Ų177113.9 Ų113.977%0.7757%0.573SS**Hα-helixtrans-78.5-19.6177.8-69.2176.6-178-172.60112.7D247 K248 L249 N253D247-K251 WeakPolarHBondContact O-CG 3.48Å; D247-K251 PolarHBondContact O-N 2.98Å; K248-K251 PolarHBondContact O-N 2.68Å; K248-K251 VanDerWaalsContact O-N 3.08Å; L249-K251 VanDerWaalsContact C-N 3.29Å; L249-K251 PolarHBondContact O-N 2.78Å; K251-N253 PolarHBondContact O-N 2.86Å; K251-N253 VanDerWaalsContact O-N 3.1Å
252V77.9Confident76.2Confident79 Ų79118 Ų11848%0.47959%0.588SS.*SBendtrans-74.4102174.3-177.60000107.7K248 L249 K250 L254K248-V252 WeakPolarHBondContact O-CG2 3.47Å; K248-V252 PolarHBondContact O-N 3.43Å; L249-V252 PolarHBondContact O-N 3.18Å; K250-V252 VanDerWaalsContact C-N 3.34Å; V252-L254 VanDerWaalsContact C-N 3.28Å; V252-L254 HydrophobicContact CG1-CD2 3.49Å; V252-L254 VanDerWaalsContact CG1-CD2 3.49Å; V252-L254 HydrophobicContact CG1-CG 3.9Å; V252-L254 PolarHBondContact O-N 3.04Å
253N71.9Confident74.9Confident134 Ų134116.3 Ų116.372%0.71758%0.583SS**  trans-66.493.1165.7-91-20.8000108.3K251 N255K251-N253 PolarHBondContact O-N 2.86Å; K251-N253 VanDerWaalsContact O-N 3.1Å; N253-N255 PolarHBondContact O-N 3.44Å
254L66.8Low73.4Confident115 Ų115114.2 Ų114.260%0.60257%0.571SS**  trans-76.467.4167.1-60.2175.3000108V252 I256V252-L254 VanDerWaalsContact C-N 3.28Å; V252-L254 HydrophobicContact CG1-CD2 3.49Å; V252-L254 VanDerWaalsContact CG1-CD2 3.49Å; V252-L254 HydrophobicContact CG1-CG 3.9Å; V252-L254 PolarHBondContact O-N 3.04Å; L254-I256 HydrophobicContact CB-CD1 4.34Å; L254-I256 HydrophobicContact CB-CG1 4.32Å; L254-I256 HydrophobicContact CD2-CD1 4.06Å; L254-I256 PolarHBondContact O-N 3.28Å
255N69Low71.8Confident142 Ų142112.4 Ų112.476%0.75957%0.568SS**  trans-72.855.5161.9-77.3-7.4000108.5N253 P257N253-N255 PolarHBondContact O-N 3.44Å; N255-P257 VanDerWaalsContact O-CD 3.23Å; N255-P257 WeakPolarHBondContact O-CD 3.47Å
256I63.3Low70.4Confident120 Ų120112.5 Ų112.562%0.61557%0.572SS**  trans-83.1108.5169.3-59.1174.7000103.7L254 F258L254-I256 HydrophobicContact CB-CD1 4.34Å; L254-I256 HydrophobicContact CB-CG1 4.32Å; L254-I256 HydrophobicContact CD2-CD1 4.06Å; L254-I256 PolarHBondContact O-N 3.28Å; I256-F258 PolarHBondContact O-N 2.88Å
257P67.2Low69.1Low92 Ų92108.4 Ų108.460%0.59757%0.568SS**  trans-54.1136.7171.723.8-32000107.7N255 Q259N255-P257 VanDerWaalsContact O-CD 3.23Å; N255-P257 WeakPolarHBondContact O-CD 3.47Å; P257-Q259 VanDerWaalsContact C-N 3.3Å; P257-Q259 PolarHBondContact O-N 3.28Å
258F64.6Low67.4Low176 Ų176108.9 Ų108.977%0.77257%0.57SS**  trans-59.397175.5175.8-97.8000108.2I256 L260I256-F258 PolarHBondContact O-N 2.88Å; F258-L260 HydrophobicContact CE1-CD2 3.71Å; F258-L260 HydrophobicContact CE1-CG 4.38Å; F258-L260 HydrophobicContact CZ-CD2 4.4Å
259Q63.8Low65.9Low89 Ų89108 Ų10842%0.41656%0.563SS.*  trans-82.5123.4174.6-76.4179.9-17.300107.6P257 E263 I264P257-Q259 VanDerWaalsContact C-N 3.3Å; P257-Q259 PolarHBondContact O-N 3.28Å; Q259-E263 HydrophobicContact CB-CB 4.42Å; Q259-I264 HydrophobicContact CB-CG1 4.28Å
260L60.6Low64.7Low84 Ų84110.4 Ų110.444%0.4457%0.568SS.*  trans-57.5146.6167.4-70.1170.1000108.5F258 N262 E263 I264F258-L260 HydrophobicContact CE1-CD2 3.71Å; F258-L260 HydrophobicContact CE1-CG 4.38Å; F258-L260 HydrophobicContact CZ-CD2 4.4Å; L260-N262 PolarHBondContact O-N 3.46Å; L260-E263 HydrophobicContact CB-CG 4.23Å; L260-E263 WeakPolarHBondContact O-CB 3.28Å; L260-E263 PolarHBondContact O-N 3.27Å; L260-I264 PolarHBondContact O-N 3.14Å
261P63Low63.4Low84 Ų84110.1 Ų110.155%0.54557%0.573SS.*THydrogen-bonded Turntrans-49.8-25.7178.6-29.234.9000114.6
262N63.9Low62Low136 Ų136105.7 Ų105.773%0.72756%0.563SS**THydrogen-bonded Turntrans-80.4-26.3-179.8-58.8-7.1000112.9L260 R269L260-N262 PolarHBondContact O-N 3.46Å; N262-R269 PolarHBondContact O-NH1 3.09Å
263E66Low60.8Low118 Ų118105.1 Ų105.155%0.55156%0.561SS**THydrogen-bonded Turntrans-86.8-14.6178.6-65.2175.2-177.900112.8Q259 L260 S265Q259-E263 HydrophobicContact CB-CB 4.42Å; L260-E263 HydrophobicContact CB-CG 4.23Å; L260-E263 WeakPolarHBondContact O-CB 3.28Å; L260-E263 PolarHBondContact O-N 3.27Å; E263-S265 PolarHBondContact O-N 2.88Å
264I61.7Low60Low50 Ų50105.1 Ų105.126%0.25656%0.556SS.*SBendtrans-58.6130.1174.1-58.6179.4000108.6Q259 L260 S266 L268 R269Q259-I264 HydrophobicContact CB-CG1 4.28Å; L260-I264 PolarHBondContact O-N 3.14Å; I264-S266 PolarHBondContact O-N 3.35Å; I264-L268 HydrophobicContact CG2-CB 3.18Å; I264-L268 HydrophobicContact CG2-CD1 4.06Å; I264-L268 HydrophobicContact CG2-CG 4.25Å; I264-R269 HydrophobicContact CB-CG 4.38Å; I264-R269 HydrophobicContact CG2-CG 4.29Å; I264-R269 PolarHBondContact O-NH1 3.13Å
265S60.5Low59.5Low49 Ų49101.5 Ų101.534%0.34355%0.547SS..  trans-50.9145.2176.975.20000110.4E263 S267 L268 R269E263-S265 PolarHBondContact O-N 2.88Å; S265-S267 PolarHBondContact O-N 3.17Å; S265-S267 PolarHBondContact OG-OG 2.76Å; S265-L268 PolarHBondContact O-N 2.82Å; S265-L268 PolarHBondContact OG-N 3.16Å; S265-R269 PolarHBondContact O-N 3.23Å
266S57.8Low59Low79 Ų79101.3 Ų101.355%0.55254%0.541SS*.Hα-helixtrans-54.9-28.5177.256.30000112.7I264 K270I264-S266 PolarHBondContact O-N 3.35Å; S266-K270 WeakPolarHBondContact O-CG 3.43Å; S266-K270 PolarHBondContact O-N 3.49Å
267S57.1Low58.7Low76 Ų76100.8 Ų100.853%0.53154%0.539SS..Hα-helixtrans-68-40.1174.2540000113.4S265 K270 L271S265-S267 PolarHBondContact O-N 3.17Å; S265-S267 PolarHBondContact OG-OG 2.76Å; S267-K270 PolarHBondContact O-N 3.27Å; S267-L271 PolarHBondContact O-N 2.92Å
268L53Low58.4Low87 Ų87102.7 Ų102.746%0.45554%0.538SS..Hα-helixtrans-74-34.1177.2-78.8165.2000111.9I264 S265 K270 L271I264-L268 HydrophobicContact CG2-CB 3.18Å; I264-L268 HydrophobicContact CG2-CD1 4.06Å; I264-L268 HydrophobicContact CG2-CG 4.25Å; S265-L268 PolarHBondContact O-N 2.82Å; S265-L268 PolarHBondContact OG-N 3.16Å; L268-K270 PolarHBondContact O-N 3.38Å; L268-L271 HydrophobicContact CD2-CD1 3.92Å; L268-L271 PolarHBondContact O-N 3.47Å
269R54.9Low58.2Low125 Ų125100 Ų10047%0.47253%0.528SS..Hα-helixtrans-56.1-37.4170.5-76.7-166.9-82.3-109.41.7111.9N262 I264 S265 L271N262-R269 PolarHBondContact O-NH1 3.09Å; I264-R269 HydrophobicContact CB-CG 4.38Å; I264-R269 HydrophobicContact CG2-CG 4.29Å; I264-R269 PolarHBondContact O-NH1 3.13Å; S265-R269 PolarHBondContact O-N 3.23Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-L271 PolarHBondContact O-N 3.33Å
270K55.6Low58.4Low168 Ų16899.1 Ų99.173%0.7352%0.524SS*.THydrogen-bonded Turntrans-73.3-18.2177.3-68.5-177.7-177.9-173.40114.4S266 S267 L268 C272S266-K270 WeakPolarHBondContact O-CG 3.43Å; S266-K270 PolarHBondContact O-N 3.49Å; S267-K270 PolarHBondContact O-N 3.27Å; L268-K270 PolarHBondContact O-N 3.38Å; K270-C272 VanDerWaalsContact C-N 3.26Å; K270-C272 CarbonylContact O-C 3.52Å; K270-C272 PolarHBondContact O-N 3.15Å
271L53.3Low58.8Low133 Ų13398.8 Ų98.870%0.69653%0.525SS*.THydrogen-bonded Turntrans-74.3-15.9178.3-68.4-172.1000113.4S267 L268 R269 P273S267-L271 PolarHBondContact O-N 2.92Å; L268-L271 HydrophobicContact CD2-CD1 3.92Å; L268-L271 PolarHBondContact O-N 3.47Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-L271 PolarHBondContact O-N 3.33Å; L271-P273 VanDerWaalsContact C-CD 3.46Å; L271-P273 WeakPolarHBondContact O-CD 3.49Å
272C50.7Low59Low83 Ų8399.3 Ų99.356%0.56152%0.52SS*.SBendtrans-87.493.8153.2-85.80000106.5K270 E274K270-C272 VanDerWaalsContact C-N 3.26Å; K270-C272 CarbonylContact O-C 3.52Å; K270-C272 PolarHBondContact O-N 3.15Å; C272-E274 PolarHBondContact O-N 3.28Å
273P52.3Low59.2Low67 Ų67100 Ų10044%0.43551%0.513SS..  trans-55.1112.4173.122.5-32.7000106.5L271 G275 H276L271-P273 VanDerWaalsContact C-CD 3.46Å; L271-P273 WeakPolarHBondContact O-CD 3.49Å; P273-G275 PolarHBondContact O-N 3.16Å; P273-H276 HydrophobicContact CG-CB 4.41Å; P273-H276 WeakPolarHBondContact CG-ND1 3.38Å; P273-H276 PolarHBondContact O-N 2.9Å
274E55.2Low59.1Low134 Ų134102.3 Ų102.363%0.62652%0.516SS*.Hα-helixtrans-52.4-27.7-177-68.5-162.1159.400110.8C272 H276 L277 F278C272-E274 PolarHBondContact O-N 3.28Å; E274-H276 VanDerWaalsContact C-N 3.26Å; E274-H276 PolarHBondContact O-N 2.64Å; E274-L277 PolarHBondContact O-N 3.04Å; E274-F278 HydrophobicContact CB-CD2 3.93Å; E274-F278 HydrophobicContact CB-CE2 3.77Å; E274-F278 WeakPolarHBondContact O-CD2 3.45Å; E274-F278 PolarHBondContact O-N 3.39Å
275G56.9Low59.1Low39 Ų39109.5 Ų109.540%0.40254%0.54SS..Hα-helixtrans-51.4-35.5171.900000115P273 H279P273-G275 PolarHBondContact O-N 3.16Å; G275-H279 VanDerWaalsContact O-CB 3.26Å; G275-H279 WeakPolarHBondContact O-CB 3.23Å; G275-H279 VanDerWaalsContact O-CG 3.3Å; G275-H279 PolarHBondContact O-N 3.36Å; G275-H279 PolarHBondContact O-ND1 2.56Å
276H57.7Low59.2Low138 Ų138113 Ų11364%0.63956%0.555SS**Hα-helixtrans-72.1-39.3176.2-8163.8000112.1P273 E274 H279 E280P273-H276 HydrophobicContact CG-CB 4.41Å; P273-H276 WeakPolarHBondContact CG-ND1 3.38Å; P273-H276 PolarHBondContact O-N 2.9Å; E274-H276 VanDerWaalsContact C-N 3.26Å; E274-H276 PolarHBondContact O-N 2.64Å; H276-H279 PolarHBondContact O-N 3.1Å; H276-E280 VanDerWaalsContact O-CB 3.31Å; H276-E280 WeakPolarHBondContact O-CB 3.31Å; H276-E280 PolarHBondContact O-N 3.33Å
277L56.2Low59.2Low109 Ų109119.4 Ų119.457%0.57157%0.567SS**Hα-helixtrans-67.6-44.1175.2-83.6166.9000110.9E274 H279 E280 V281E274-L277 PolarHBondContact O-N 3.04Å; L277-H279 PolarHBondContact O-N 2.88Å; L277-E280 PolarHBondContact O-N 3.14Å; L277-V281 WeakPolarHBondContact O-CB 3.35Å; L277-V281 VanDerWaalsContact O-CG2 3.27Å; L277-V281 WeakPolarHBondContact O-CG2 3.45Å; L277-V281 PolarHBondContact O-N 2.86Å
278F61.2Low59Low133 Ų133119.9 Ų119.958%0.58357%0.569SS**Hα-helixtrans-58.7-47173.6-76.4-65.4000111.1E274 E280 V281 E282E274-F278 HydrophobicContact CB-CD2 3.93Å; E274-F278 HydrophobicContact CB-CE2 3.77Å; E274-F278 WeakPolarHBondContact O-CD2 3.45Å; E274-F278 PolarHBondContact O-N 3.39Å; F278-E280 PolarHBondContact O-N 3.11Å; F278-V281 PolarHBondContact O-N 3.01Å; F278-E282 WeakPolarHBondContact O-CB 3.25Å; F278-E282 PolarHBondContact O-N 2.68Å
279H61.9Low58.9Low119 Ų119121.9 Ų121.955%0.55159%0.588SS**Hα-helixtrans-62.9-37.4174.7-81.116.8000113.2G275 H276 L277 R283G275-H279 VanDerWaalsContact O-CB 3.26Å; G275-H279 WeakPolarHBondContact O-CB 3.23Å; G275-H279 VanDerWaalsContact O-CG 3.3Å; G275-H279 PolarHBondContact O-N 3.36Å; G275-H279 PolarHBondContact O-ND1 2.56Å; H276-H279 PolarHBondContact O-N 3.1Å; L277-H279 PolarHBondContact O-N 2.88Å; H279-R283 WeakPolarHBondContact O-CB 3.12Å; H279-R283 WeakPolarHBondContact O-CG 3.43Å; H279-R283 PolarHBondContact O-N 3.48Å
280E67.3Low58.6Low70 Ų70126.2 Ų126.233%0.32760%0.604SS.*Hα-helixtrans-67.3-46.6176.7-168.676.1-158.500111.3H276 L277 F278 R283 R284H276-E280 VanDerWaalsContact O-CB 3.31Å; H276-E280 WeakPolarHBondContact O-CB 3.31Å; H276-E280 PolarHBondContact O-N 3.33Å; L277-E280 PolarHBondContact O-N 3.14Å; F278-E280 PolarHBondContact O-N 3.11Å; E280-R283 PolarHBondContact O-N 3.11Å; E280-R283 IonicContact OE2-CZ 3.64Å; E280-R283 IonicContact OE2-NE 3.89Å; E280-R283 IonicContact OE2-NH2 2.69Å; E280-R283 PolarHBondContact OE2-NH2 2.88Å; E280-R284 WeakPolarHBondContact O-CB 3.46Å; E280-R284 WeakPolarHBondContact O-CG 3.49Å; E280-R284 PolarHBondContact O-N 3.39Å; E280-R284 IonicContact OE1-NE 3.95Å
281V68Low58.3Low77 Ų77123.3 Ų123.347%0.46761%0.611SS.*Hα-helixtrans-63.9-43.1177.5171.50000110.6L277 F278 R284 R285L277-V281 WeakPolarHBondContact O-CB 3.35Å; L277-V281 VanDerWaalsContact O-CG2 3.27Å; L277-V281 WeakPolarHBondContact O-CG2 3.45Å; L277-V281 PolarHBondContact O-N 2.86Å; F278-V281 PolarHBondContact O-N 3.01Å; V281-R284 PolarHBondContact O-N 3.34Å; V281-R285 WeakPolarHBondContact O-CB 3.43Å; V281-R285 PolarHBondContact O-N 3.27Å
282E68.6Low58.1Low96 Ų96127 Ų12745%0.44962%0.616SS.*Hα-helixtrans-66.5-43.3176.8-170.3165.7-148.600111.3F278 R284 R285 N286F278-E282 WeakPolarHBondContact O-CB 3.25Å; F278-E282 PolarHBondContact O-N 2.68Å; E282-R284 VanDerWaalsContact C-N 3.31Å; E282-R284 PolarHBondContact O-N 3.06Å; E282-R285 PolarHBondContact O-N 3.19Å; E282-N286 WeakPolarHBondContact O-CB 3.45Å; E282-N286 PolarHBondContact O-N 3.13Å; E282-N286 PolarHBondContact O-ND2 2.97Å; E282-N286 VanDerWaalsContact O-ND2 3.14Å
283R66.9Low57.9Low151 Ų151132.1 Ų132.157%0.5763%0.629SS**Hα-helixtrans-57.6-43170.4-82.9-169.9-62.9-156.92.3111.8H279 E280 N286 R287H279-R283 WeakPolarHBondContact O-CB 3.12Å; H279-R283 WeakPolarHBondContact O-CG 3.43Å; H279-R283 PolarHBondContact O-N 3.48Å; E280-R283 PolarHBondContact O-N 3.11Å; E280-R283 IonicContact OE2-CZ 3.64Å; E280-R283 IonicContact OE2-NE 3.89Å; E280-R283 IonicContact OE2-NH2 2.69Å; E280-R283 PolarHBondContact OE2-NH2 2.88Å; R283-N286 PolarHBondContact O-N 3.01Å; R283-R287 VanDerWaalsContact O-CB 3.29Å; R283-R287 WeakPolarHBondContact O-CB 3.46Å; R283-R287 PolarHBondContact O-N 3.19Å
284R65.4Low57.7Low166 Ų166135.2 Ų135.263%0.62665%0.646SS**Hα-helixtrans-67.7-46.1178.9-77.2179.4174.4-169.1-3112E280 V281 E282 N286 R287 C288E280-R284 WeakPolarHBondContact O-CB 3.46Å; E280-R284 WeakPolarHBondContact O-CG 3.49Å; E280-R284 PolarHBondContact O-N 3.39Å; E280-R284 IonicContact OE1-NE 3.95Å; V281-R284 PolarHBondContact O-N 3.34Å; E282-R284 VanDerWaalsContact C-N 3.31Å; E282-R284 PolarHBondContact O-N 3.06Å; R284-N286 VanDerWaalsContact C-N 3.29Å; R284-N286 PolarHBondContact O-N 3.33Å; R284-R287 WeakPolarHBondContact O-CB 3.47Å; R284-R287 PolarHBondContact O-N 3.48Å; R284-R287 VanDerWaalsContact O-N 3.1Å; R284-C288 PolarHBondContact O-N 3.33Å
285R60.2Low57.4Low200 Ų200136.4 Ų136.476%0.75566%0.656SS**Hα-helixtrans-58.6-40.3173.4-86.7-175.8160.2-178.5-3.4111.9V281 E282V281-R285 WeakPolarHBondContact O-CB 3.43Å; V281-R285 PolarHBondContact O-N 3.27Å; E282-R285 PolarHBondContact O-N 3.19Å
286N63.8Low56.8Low123 Ų123137.9 Ų137.966%0.65867%0.671SS**Hα-helixtrans-78.1-17.5177.2-68.2-27.8000113.5E282 R283 R284E282-N286 WeakPolarHBondContact O-CB 3.45Å; E282-N286 PolarHBondContact O-N 3.13Å; E282-N286 PolarHBondContact O-ND2 2.97Å; E282-N286 VanDerWaalsContact O-ND2 3.14Å; R283-N286 PolarHBondContact O-N 3.01Å; R284-N286 VanDerWaalsContact C-N 3.29Å; R284-N286 PolarHBondContact O-N 3.33Å
287R58.5Low56.3Low213 Ų213136.3 Ų136.380%0.80468%0.676SS**Hα-helixtrans-79-28.9176.2-128.7176.2-173.8160.73.4112.8R283 R284 P289R283-R287 VanDerWaalsContact O-CB 3.29Å; R283-R287 WeakPolarHBondContact O-CB 3.46Å; R283-R287 PolarHBondContact O-N 3.19Å; R284-R287 WeakPolarHBondContact O-CB 3.47Å; R284-R287 PolarHBondContact O-N 3.48Å; R284-R287 VanDerWaalsContact O-N 3.1Å; R287-P289 VanDerWaalsContact O-CD 3.27Å; R287-P289 WeakPolarHBondContact O-CD 3.32Å
288C51.7Low55.9Low86 Ų86140.3 Ų140.358%0.58169%0.689SS**SBendtrans-60.8120167.5-680000106.3R284 R290R284-C288 PolarHBondContact O-N 3.33Å; C288-R290 PolarHBondContact O-N 2.89Å
289P50.2Low55.5Low129 Ų129144.4 Ų144.484%0.83870%0.7SS**  trans-6585.4171.627.5-32.2000106.6R287 A291R287-P289 VanDerWaalsContact O-CD 3.27Å; R287-P289 WeakPolarHBondContact O-CD 3.32Å; P289-A291 PolarHBondContact O-N 3.19Å; P289-A291 VanDerWaalsContact O-N 3.14Å
290R50.2Low55.2Low217 Ų217148.3 Ų148.382%0.81972%0.716SS**  trans-52124.8161.8-152.5171.6-176.3-167.9-1.4103C288 R292C288-R290 PolarHBondContact O-N 2.89Å; R290-R292 PolarHBondContact O-N 3.09Å
291A47.9Very low54.7Low106 Ų106150 Ų15088%0.87674%0.736SS**  trans-62.470.1176.700000108.7P289 K293P289-A291 PolarHBondContact O-N 3.19Å; P289-A291 VanDerWaalsContact O-N 3.14Å; A291-K293 VanDerWaalsContact C-N 3.31Å; A291-K293 PolarHBondContact O-N 3.23Å
292R48.9Very low54.5Low210 Ų210149.5 Ų149.579%0.79273%0.733SS**  trans-71.7101.9166.4-75.2178.876.2157.12.4101.9R290 T294R290-R292 PolarHBondContact O-N 3.09Å; R292-T294 VanDerWaalsContact C-N 3.32Å; R292-T294 PolarHBondContact O-N 2.88Å
293K46.6Very low54.2Low192 Ų192147.7 Ų147.784%0.83573%0.729SS**  trans-39.2111.8148.2-79.1-177.4170-178.60105.1A291 L295A291-K293 VanDerWaalsContact C-N 3.31Å; A291-K293 PolarHBondContact O-N 3.23Å; K293-L295 PolarHBondContact O-N 2.94Å
294T49.6Very low54Low131 Ų131142.7 Ų142.780%0.80471%0.712SS**  trans-6782.9174.646.30000105.7R292 G296R292-T294 VanDerWaalsContact C-N 3.32Å; R292-T294 PolarHBondContact O-N 2.88Å; T294-G296 PolarHBondContact O-N 3.42Å
295L48.9Very low54.1Low159 Ų159140.9 Ų140.983%0.83271%0.71SS**  trans-54.6113153.7-66.4176.3000103.6K293 S297K293-L295 PolarHBondContact O-N 2.94Å; L295-S297 PolarHBondContact O-N 3.09Å
296G43.6Very low54.4Low70 Ų70140 Ų14072%0.72271%0.707SS**  trans-4895.4-165.400000111.7T294 K298T294-G296 PolarHBondContact O-N 3.42Å; G296-K298 PolarHBondContact O-N 3.31Å
297S46.3Very low54.4Low105 Ų105140 Ų14073%0.73470%0.701SS**  trans-73.2100171.71760000105.6L295 R299L295-S297 PolarHBondContact O-N 3.09Å; S297-R299 PolarHBondContact O-N 2.87Å
298K48.9Very low54.5Low193 Ų193144.9 Ų144.984%0.83972%0.72SS**  trans-52.8140.2166.3-64.4-168.2178.4-176.50108.3G296 K300G296-K298 PolarHBondContact O-N 3.31Å; K298-K300 PolarHBondContact O-N 3.04Å
299R51.6Low54.6Low220 Ų220147.9 Ų147.983%0.8373%0.727SS**  trans-50.2131.3-178.4-75.7-179.3174.9178.3-1.1109.1S297 S301S297-R299 PolarHBondContact O-N 2.87Å; R299-S301 PolarHBondContact O-N 3.15Å
300K56.1Low54.9Low200 Ų200148.8 Ų148.887%0.8772%0.721SS**  trans-63.2107.7173.5-65.2-172177.1-169.80108.1K298K298-K300 PolarHBondContact O-N 3.04Å
301S57.5Low55.1Low107 Ų107145.1 Ų145.175%0.74872%0.715SS**PPolyproline II helixtrans-79.7136167.257.30000108.8R299 P303R299-S301 PolarHBondContact O-N 3.15Å; S301-P303 WeakPolarHBondContact O-CD 3.49Å
302T62.8Low55.5Low66 Ų66147.4 Ų147.441%0.40571%0.706SS.*PPolyproline II helixtrans-72.2122.2168.742.70000108.7F304T302-F304 VanDerWaalsContact O-CD2 3.3Å; T302-F304 WeakPolarHBondContact O-CD2 3.42Å
303P63.1Low56Low58 Ų58143.4 Ų143.438%0.37770%0.7SS.*PPolyproline II helixtrans-71.5141174.628.7-31.5000110.3V40 T42 S301V40-P303 PolarHBondContact N-O 3.24Å; T42-P303 HydrophobicContact CG2-CG 3.75Å; S301-P303 WeakPolarHBondContact O-CD 3.49Å
304F63.2Low56.6Low46 Ų46140.2 Ų140.220%0.20269%0.691CS.*EExtended strand (participates in β ladder)trans-122.9136.1174.1-69.1-87.8000108.4H29 I32 I33 F37 Q39 T302H29-F304 HydrophobicContact CB-CZ 4.3Å; H29-F304 AromaticContact CD2-CZ 3.35Å; H29-F304 WeakPolarHBondContact CD2-CZ 3.43Å; H29-F304 AromaticContact CE1-CE1 3.37Å; H29-F304 WeakPolarHBondContact CE1-CE1 3.46Å; H29-F304 AromaticContact CE1-CZ 3.4Å; H29-F304 WeakPolarHBondContact CE1-CZ 3.33Å; H29-F304 AromaticContact CG-CZ 3.5Å; H29-F304 AromaticContact ND1-CE1 3.63Å; H29-F304 AromaticContact ND1-CZ 3.52Å; H29-F304 AromaticContact NE2-CE1 3.71Å; H29-F304 AromaticContact NE2-CZ 3.29Å; H29-F304 VanDerWaalsContact NE2-CZ 3.29Å; H29-F304 WeakPolarHBondContact NE2-CZ 3.05Å; I32-F304 HydrophobicContact CB-CD1 4.37Å; I32-F304 HydrophobicContact CB-CE1 4.2Å; I32-F304 HydrophobicContact CB-CE2 4.5Å; I32-F304 HydrophobicContact CB-CZ 4.23Å; I32-F304 HydrophobicContact CD1-CD2 3.94Å; I32-F304 HydrophobicContact CD1-CE2 3.61Å; I32-F304 HydrophobicContact CD1-CZ 4.03Å; I32-F304 HydrophobicContact CG2-CB 3.82Å; I32-F304 HydrophobicContact CG2-CD1 3.4Å; I32-F304 HydrophobicContact CG2-CD2 3.86Å; I32-F304 HydrophobicContact CG2-CE1 3.71Å; I32-F304 HydrophobicContact CG2-CE2 4.15Å; I32-F304 HydrophobicContact CG2-CG 3.44Å; I32-F304 VanDerWaalsContact CG2-CG 3.44Å; I32-F304 HydrophobicContact CG2-CZ 4.03Å; I33-F304 HydrophobicContact CG1-CE1 4.34Å; F37-F304 HydrophobicContact CB-CB 4.11Å; F37-F304 HydrophobicContact CB-CD1 4.38Å; F37-F304 HydrophobicContact CD1-CB 4.15Å; F37-F304 HydrophobicContact CG-CB 4.48Å; Q39-F304 HydrophobicContact CB-CD1 4.49Å; Q39-F304 HydrophobicContact CB-CE1 4.45Å; T302-F304 VanDerWaalsContact O-CD2 3.3Å; T302-F304 WeakPolarHBondContact O-CD2 3.42Å
305E67.2Low57.1Low128 Ų128140.9 Ų140.960%0.59868%0.683SS**EExtended strand (participates in β ladder)trans-115.9142.5172.1-76.1-178.4176.200109.4F37 A38 V40 K307F37-E305 CarbonylContact C-O 3.49Å; F37-E305 VanDerWaalsContact CA-O 3.28Å; F37-E305 WeakPolarHBondContact CA-O 3.29Å; A38-E305 PolarHBondContact N-O 3.42Å; A38-E305 PolarHBondContact O-N 3.48Å; V40-E305 HydrophobicContact CG2-CB 3.77Å; V40-E305 HydrophobicContact CG2-CG 3.65Å; E305-K307 PolarHBondContact O-N 3.25Å
306R65.9Low57.7Low180 Ų180139.5 Ų139.568%0.67967%0.672SS**EExtended strand (participates in β ladder)trans-70.3130177.1-160.3176.7-170.5177.60.9108.3F37 R308F37-R306 HydrophobicContact CD1-CB 4Å; F37-R306 HydrophobicContact CE1-CB 3.75Å; F37-R306 HydrophobicContact CE1-CG 4.24Å; F37-R306 HydrophobicContact CE2-CG 4.47Å; F37-R306 HydrophobicContact CZ-CB 4.19Å; F37-R306 HydrophobicContact CZ-CG 4.2Å; R306-R308 PolarHBondContact O-N 3.19Å
307K64.8Low58.9Low125 Ų125145.3 Ų145.354%0.54367%0.668SS.*  trans-59.6122.2169.8-66.9174.7-177.4174.80107.4D36 A38 E305D36-K307 VanDerWaalsContact O-CB 3.28Å; D36-K307 WeakPolarHBondContact O-CB 3.35Å; D36-K307 VanDerWaalsContact O-CG 3.29Å; D36-K307 WeakPolarHBondContact O-CG 3.37Å; D36-K307 PolarHBondContact O-N 3.41Å; A38-K307 HydrophobicContact CB-CG 4.03Å; E305-K307 PolarHBondContact O-N 3.25Å
308R59.4Low60Low315 Ų315148.9 Ų148.9100%1.18966%0.662SS**  trans-88.70168.1-70.6-173.8179.8-179-0.1109.2R306R306-R308 PolarHBondContact O-N 3.19Å

Retrieved 308 of 308 residues in 192.7 ms (Link to these results)

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