A0A077ZJM0_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZJM0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 370 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.9Very low43.8Very low88 Ų88104.4 Ų104.443%0.43353%0.526SS..  0137.90-84160.2-177.800108.8L232 Y284 V286 L292M1-L232 HydrophobicContact CE-CD2 4.16Å; M1-L232 HydrophobicContact SD-CD2 4.22Å; M1-Y284 HydrophobicContact CB-CD1 3.93Å; M1-Y284 HydrophobicContact CB-CG 3.98Å; M1-Y284 HydrophobicContact CG-CG 4.24Å; M1-Y284 HydrophobicContact SD-CD2 4.2Å; M1-Y284 HydrophobicContact SD-CG 4.2Å; M1-V286 HydrophobicContact CE-CG2 4Å; M1-V286 HydrophobicContact CG-CG2 4.37Å; M1-L292 HydrophobicContact CE-CB 4.03Å; M1-L292 HydrophobicContact CE-CD1 3.28Å; M1-L292 HydrophobicContact CE-CD2 3.63Å; M1-L292 HydrophobicContact CE-CG 3.82Å; M1-L292 HydrophobicContact SD-CD2 4.16Å
2R48.9Very low44.4Very low123 Ų123107.7 Ų107.746%0.46453%0.528SS..EExtended strand (participates in β ladder)trans-105.3143.4170-66.7-177-178.6134.10.1107.9V4 Y284 E285R2-V4 PolarHBondContact O-N 3.06Å; R2-Y284 WeakPolarHBondContact O-CA 3.4Å; R2-E285 PolarHBondContact N-O 3.37Å; R2-E285 PolarHBondContact O-N 3.35Å
3F54.2Low44.8Very low69 Ų69106.8 Ų106.830%0.30353%0.526SS..EExtended strand (participates in β ladder)trans-55.8140.6164.4-76.9-72.2000108.4S5 L13 Q282 Y284F3-S5 PolarHBondContact O-N 2.9Å; F3-L13 HydrophobicContact CD2-CD1 4.47Å; F3-L13 HydrophobicContact CD2-CD2 4.4Å; F3-L13 HydrophobicContact CD2-CG 4.1Å; F3-L13 HydrophobicContact CE1-CD1 4.3Å; F3-L13 HydrophobicContact CE2-CD1 3.76Å; F3-L13 HydrophobicContact CE2-CD2 3.27Å; F3-L13 HydrophobicContact CE2-CG 3.35Å; F3-L13 HydrophobicContact CZ-CD1 3.67Å; F3-L13 HydrophobicContact CZ-CD2 3.52Å; F3-L13 HydrophobicContact CZ-CG 3.75Å; F3-Q282 HydrophobicContact CD1-CG 4.39Å; F3-Q282 HydrophobicContact CE1-CG 4.1Å; F3-Y284 HydrophobicContact CD1-CD1 4.39Å; F3-Y284 AromaticContact CD1-CE1 3.83Å; F3-Y284 HydrophobicContact CD1-CE1 3.83Å; F3-Y284 AromaticContact CE1-CE1 3.83Å; F3-Y284 HydrophobicContact CE1-CE1 3.83Å; F3-Y284 HydrophobicContact CG-CE1 4.37Å; F3-Y284 HydrophobicContact CZ-CE1 4.39Å
4V55.3Low45.6Very low23 Ų23109.4 Ų109.414%0.13953%0.529CS..SBendtrans-7278.6160.9-170.80000105.7R2 A240 Y264 L283 E285 Y291R2-V4 PolarHBondContact O-N 3.06Å; V4-A240 HydrophobicContact CG1-CB 4.11Å; V4-Y264 HydrophobicContact CB-CD1 4.13Å; V4-Y264 HydrophobicContact CB-CD2 3.75Å; V4-Y264 HydrophobicContact CB-CE1 4.49Å; V4-Y264 HydrophobicContact CB-CE2 4.12Å; V4-Y264 HydrophobicContact CB-CG 3.72Å; V4-Y264 HydrophobicContact CG1-CD1 3.97Å; V4-Y264 HydrophobicContact CG1-CD2 3.64Å; V4-Y264 HydrophobicContact CG1-CE1 3.82Å; V4-Y264 HydrophobicContact CG1-CE2 3.45Å; V4-Y264 VanDerWaalsContact CG1-CE2 3.45Å; V4-Y264 HydrophobicContact CG1-CG 3.87Å; V4-Y264 WeakPolarHBondContact O-CD2 3.44Å; V4-L283 HydrophobicContact CG2-CD2 4.3Å; V4-L283 HydrophobicContact CG2-CG 4.27Å; V4-E285 HydrophobicContact CG2-CB 4.32Å; V4-Y291 HydrophobicContact CG2-CD1 3.81Å; V4-Y291 HydrophobicContact CG2-CE1 3.96Å
5S45.4Very low46.7Very low60 Ų60108.3 Ų108.342%0.4254%0.544SS..  trans-118.9155.2175.356.10000109.2F3F3-S5 PolarHBondContact O-N 2.9Å
6K38.1Very low48.7Very low172 Ų172102.5 Ų102.575%0.74852%0.52SS*.  trans-42.6140.4174.4-132.6175.1177.8179.80110.6D8 V9K6-D8 PolarHBondContact O-N 3.32Å; K6-V9 PolarHBondContact O-N 3.33Å
7P39.2Very low50.9Low114 Ų114101.2 Ų101.274%0.7452%0.521SS*.THydrogen-bonded Turntrans-56-7.2-167.616.1-31.9000117.9
8D40Very low53Low140 Ų14097.7 Ų97.775%0.74950%0.502SS*.THydrogen-bonded Turntrans-95.11.9-172.5-55.5-43.1000114.4K6K6-D8 PolarHBondContact O-N 3.32Å
9V35.4Very low55Low77 Ų7795.3 Ų95.347%0.46749%0.492SS..  trans-12290.3-175.9-170.60000110.7K6 F11K6-V9 PolarHBondContact O-N 3.33Å; V9-F11 HydrophobicContact CG1-CB 4.43Å; V9-F11 HydrophobicContact CG1-CD2 3.34Å; V9-F11 HydrophobicContact CG1-CE2 3.95Å; V9-F11 HydrophobicContact CG1-CG 4.29Å; V9-F11 PolarHBondContact O-N 3Å
10I41Very low56.9Low120 Ų12095.7 Ų95.762%0.61550%0.495SS*.  trans-87.743179.6-44.5172.9000110.8R12I10-R12 PolarHBondContact O-N 3.11Å
11F39.4Very low58.8Low162 Ų16291.1 Ų91.171%0.71147%0.471SS*.  trans-89.1100.8170.8-63.4-63000108.5V9V9-F11 HydrophobicContact CG1-CB 4.43Å; V9-F11 HydrophobicContact CG1-CD2 3.34Å; V9-F11 HydrophobicContact CG1-CE2 3.95Å; V9-F11 HydrophobicContact CG1-CG 4.29Å; V9-F11 PolarHBondContact O-N 3Å
12R51.6Low61.2Low144 Ų14488.7 Ų88.754%0.54346%0.457SS..  trans-61.9135.5162.7-67.1177.6-179.8-102.95.4106.6I10 Y14I10-R12 PolarHBondContact O-N 3.11Å; R12-Y14 PolarHBondContact O-N 3.41Å; R12-Y14 VanDerWaalsContact O-N 3.11Å
13L48.6Very low63.4Low97 Ų9785.4 Ų85.451%0.50845%0.453SS..  trans-54.3120.7166.4-77.1172.2000108.1F3 Y284F3-L13 HydrophobicContact CD2-CD1 4.47Å; F3-L13 HydrophobicContact CD2-CD2 4.4Å; F3-L13 HydrophobicContact CD2-CG 4.1Å; F3-L13 HydrophobicContact CE1-CD1 4.3Å; F3-L13 HydrophobicContact CE2-CD1 3.76Å; F3-L13 HydrophobicContact CE2-CD2 3.27Å; F3-L13 HydrophobicContact CE2-CG 3.35Å; F3-L13 HydrophobicContact CZ-CD1 3.67Å; F3-L13 HydrophobicContact CZ-CD2 3.52Å; F3-L13 HydrophobicContact CZ-CG 3.75Å; L13-Y284 HydrophobicContact CD1-CE1 3.48Å; L13-Y284 VanDerWaalsContact CD1-CE1 3.48Å; L13-Y284 VanDerWaalsContact CD1-OH 3.27Å; L13-Y284 WeakPolarHBondContact CD1-OH 3.44Å
14Y55.9Low65.4Low143 Ų14384.9 Ų84.956%0.56146%0.457SS*.  trans-115.2142.4173.766.7-84.4000106.9R12 G16 E18 V19R12-Y14 PolarHBondContact O-N 3.41Å; R12-Y14 VanDerWaalsContact O-N 3.11Å; Y14-G16 VanDerWaalsContact CD2-CA 3.45Å; Y14-G16 PolarHBondContact O-N 3.15Å; Y14-E18 WeakPolarHBondContact CA-OE1 3.4Å; Y14-E18 WeakPolarHBondContact CB-OE1 3.2Å; Y14-V19 HydrophobicContact CD1-CG2 4.48Å; Y14-V19 HydrophobicContact CD2-CB 4.01Å; Y14-V19 HydrophobicContact CD2-CG2 3.31Å; Y14-V19 HydrophobicContact CE2-CB 4.31Å; Y14-V19 HydrophobicContact CE2-CG2 3.99Å; Y14-V19 HydrophobicContact CG-CG2 3.63Å
15A63Low67.4Low92 Ų9283.8 Ų83.876%0.7645%0.45SS*.  trans-69.8-23.1177.800000111.2P17 E18A15-P17 WeakPolarHBondContact O-CD 3.4Å; A15-E18 WeakPolarHBondContact CB-OE2 3.38Å; A15-E18 PolarHBondContact N-OE1 3.09Å; A15-E18 PolarHBondContact N-OE2 3.04Å
16G77.7Confident69.9Low16 Ų1682.7 Ų82.717%0.16544%0.439CS..SBendtrans119.1-65.7-179.300000110.6Y14 E18 V19 D20Y14-G16 VanDerWaalsContact CD2-CA 3.45Å; Y14-G16 PolarHBondContact O-N 3.15Å; G16-E18 VanDerWaalsContact C-N 3.27Å; G16-E18 PolarHBondContact N-OE2 2.98Å; G16-E18 PolarHBondContact O-N 2.94Å; G16-E18 VanDerWaalsContact O-N 3.12Å; G16-V19 WeakPolarHBondContact O-CB 3.46Å; G16-V19 PolarHBondContact O-N 3.32Å; G16-D20 PolarHBondContact O-N 3.31Å
17P87.1Confident72.7Confident81 Ų8179.4 Ų79.453%0.52643%0.429SS..Hα-helixtrans-55.6-36-171.8-28.535.6000114.8A15 V19 D20 V21A15-P17 WeakPolarHBondContact O-CD 3.4Å; P17-V19 VanDerWaalsContact C-N 3.27Å; P17-V19 PolarHBondContact O-N 3.22Å; P17-D20 PolarHBondContact O-N 3.32Å; P17-V21 WeakPolarHBondContact O-CG2 3.37Å; P17-V21 PolarHBondContact O-N 3.49Å
18E89Confident75.5Confident38 Ų3875.3 Ų75.318%0.17840%0.401CS..Hα-helixtrans-68.4-27.3179.971.1-85.5-151.400112.8Y14 A15 G16 W22 P77 R80Y14-E18 WeakPolarHBondContact CA-OE1 3.4Å; Y14-E18 WeakPolarHBondContact CB-OE1 3.2Å; A15-E18 WeakPolarHBondContact CB-OE2 3.38Å; A15-E18 PolarHBondContact N-OE1 3.09Å; A15-E18 PolarHBondContact N-OE2 3.04Å; G16-E18 VanDerWaalsContact C-N 3.27Å; G16-E18 PolarHBondContact N-OE2 2.98Å; G16-E18 PolarHBondContact O-N 2.94Å; G16-E18 VanDerWaalsContact O-N 3.12Å; E18-W22 PolarHBondContact O-N 3.2Å; E18-W22 VanDerWaalsContact O-N 3.14Å; E18-P77 HydrophobicContact CB-CB 4.44Å; E18-P77 HydrophobicContact CG-CB 3.86Å; E18-R80 WeakPolarHBondContact O-CD 3.27Å; E18-R80 PolarHBondContact O-NH1 2.63Å
19V90.5Very high78.3Confident52 Ų5268.9 Ų68.932%0.31537%0.366SS..Hα-helixtrans-76-36.6176.4177.60000110.2Y14 G16 P17 W22 S23Y14-V19 HydrophobicContact CD1-CG2 4.48Å; Y14-V19 HydrophobicContact CD2-CB 4.01Å; Y14-V19 HydrophobicContact CD2-CG2 3.31Å; Y14-V19 HydrophobicContact CE2-CB 4.31Å; Y14-V19 HydrophobicContact CE2-CG2 3.99Å; Y14-V19 HydrophobicContact CG-CG2 3.63Å; G16-V19 WeakPolarHBondContact O-CB 3.46Å; G16-V19 PolarHBondContact O-N 3.32Å; P17-V19 VanDerWaalsContact C-N 3.27Å; P17-V19 PolarHBondContact O-N 3.22Å; V19-W22 WeakPolarHBondContact O-CB 3.44Å; V19-W22 PolarHBondContact O-N 2.84Å; V19-S23 PolarHBondContact O-N 3.28Å; V19-S23 PolarHBondContact O-OG 3.06Å
20D93.1Very high81.2Confident102 Ų10266.6 Ų66.655%0.54536%0.356SS..Hα-helixtrans-65.2-45.4173.6-64.7-24.6000110.7G16 P17 W22 S23 C24G16-D20 PolarHBondContact O-N 3.31Å; P17-D20 PolarHBondContact O-N 3.32Å; D20-W22 VanDerWaalsContact C-N 3.29Å; D20-W22 PolarHBondContact O-N 3.43Å; D20-S23 WeakPolarHBondContact O-CB 3.45Å; D20-S23 PolarHBondContact O-N 3.01Å; D20-C24 PolarHBondContact O-N 3.48Å; D20-C24 PolarHBondContact O-SG 2.96Å; D20-C24 VanDerWaalsContact O-SG 3.34Å
21V95.8Very high83.9Confident1 Ų167.5 Ų67.51%0.00636%0.361CS..Hα-helixtrans-58.5-41.9175.1176.60000111.6P17 S23 C24 G25 M72 R80 A81 I83 V86P17-V21 WeakPolarHBondContact O-CG2 3.37Å; P17-V21 PolarHBondContact O-N 3.49Å; V21-S23 VanDerWaalsContact C-N 3.31Å; V21-S23 PolarHBondContact O-N 2.68Å; V21-C24 PolarHBondContact O-N 2.93Å; V21-G25 PolarHBondContact O-N 3.28Å; V21-M72 HydrophobicContact CG1-CB 4.06Å; V21-M72 HydrophobicContact CG1-CE 4.04Å; V21-M72 HydrophobicContact CG1-CG 3.97Å; V21-M72 WeakPolarHBondContact O-CE 2.94Å; V21-R80 HydrophobicContact CG1-CG 4.46Å; V21-A81 HydrophobicContact CG1-CB 4.42Å; V21-A81 VanDerWaalsContact CG1-O 3.32Å; V21-A81 WeakPolarHBondContact CG1-O 3.4Å; V21-I83 HydrophobicContact CG2-CD1 3.58Å; V21-I83 HydrophobicContact CG2-CG1 3.8Å; V21-V86 HydrophobicContact CG1-CG2 4.43Å
22W95.5Very high86.6Confident37 Ų3762.3 Ų62.314%0.1434%0.34CS..Hα-helixtrans-57.9-47.6174.8176.5-82000111E18 V19 D20 G25 I26 F38 I50 L73 Q74 V75 R80E18-W22 PolarHBondContact O-N 3.2Å; E18-W22 VanDerWaalsContact O-N 3.14Å; V19-W22 WeakPolarHBondContact O-CB 3.44Å; V19-W22 PolarHBondContact O-N 2.84Å; D20-W22 VanDerWaalsContact C-N 3.29Å; D20-W22 PolarHBondContact O-N 3.43Å; W22-G25 WeakPolarHBondContact O-CA 3.28Å; W22-G25 PolarHBondContact O-N 2.89Å; W22-I26 WeakPolarHBondContact O-CG1 3.48Å; W22-I26 PolarHBondContact O-N 3.41Å; W22-F38 HydrophobicContact CH2-CE2 4.16Å; W22-F38 HydrophobicContact CH2-CZ 4.41Å; W22-F38 HydrophobicContact CZ2-CD2 4.45Å; W22-F38 AromaticContact CZ2-CE2 3.8Å; W22-F38 HydrophobicContact CZ2-CE2 3.8Å; W22-F38 HydrophobicContact CZ2-CZ 4.46Å; W22-I50 HydrophobicContact CZ2-CG2 3.98Å; W22-L73 HydrophobicContact CD2-CD2 4.03Å; W22-L73 HydrophobicContact CE3-CD2 4.18Å; W22-L73 HydrophobicContact CG-CD2 4.41Å; W22-L73 VanDerWaalsContact CZ3-C 3.5Å; W22-L73 HydrophobicContact CZ3-CB 4.39Å; W22-L73 VanDerWaalsContact CZ3-O 3.23Å; W22-L73 WeakPolarHBondContact CZ3-O 3.32Å; W22-L73 WeakPolarHBondContact O-CD2 3.37Å; W22-Q74 WeakPolarHBondContact CZ3-O 3.46Å; W22-V75 HydrophobicContact CH2-CG2 4.4Å; W22-R80 VanDerWaalsContact CE3-NH2 3.3Å
23S95.5Very high88.6Confident53 Ų5356.1 Ų56.137%0.37132%0.319SS..Hα-helixtrans-63.5-43-179.6-54.20000111.5V19 D20 V21 G25 I26 I27V19-S23 PolarHBondContact O-N 3.28Å; V19-S23 PolarHBondContact O-OG 3.06Å; D20-S23 WeakPolarHBondContact O-CB 3.45Å; D20-S23 PolarHBondContact O-N 3.01Å; V21-S23 VanDerWaalsContact C-N 3.31Å; V21-S23 PolarHBondContact O-N 2.68Å; S23-G25 VanDerWaalsContact C-N 3.27Å; S23-G25 PolarHBondContact O-N 3.21Å; S23-I26 WeakPolarHBondContact O-CB 3.39Å; S23-I26 PolarHBondContact O-N 3.39Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.26Å
24C96.9Very high90.9Very high58 Ų5854.9 Ų54.939%0.39233%0.329SS..Hα-helixtrans-59-37.2171.2-67.80000112.2D20 V21 I27 L28 M72D20-C24 PolarHBondContact O-N 3.48Å; D20-C24 PolarHBondContact O-SG 2.96Å; D20-C24 VanDerWaalsContact O-SG 3.34Å; V21-C24 PolarHBondContact O-N 2.93Å; C24-I27 PolarHBondContact O-N 3.4Å; C24-L28 WeakPolarHBondContact O-CB 3.48Å; C24-L28 PolarHBondContact O-N 3.35Å; C24-M72 HydrophobicContact CB-CE 3.56Å
25G97.3Very high92.7Very high0 Ų052 Ų520%033%0.327CS..Hα-helixtrans-65.3-39.2175.700000112.8V21 W22 S23 L28 Y29V21-G25 PolarHBondContact O-N 3.28Å; W22-G25 WeakPolarHBondContact O-CA 3.28Å; W22-G25 PolarHBondContact O-N 2.89Å; S23-G25 VanDerWaalsContact C-N 3.27Å; S23-G25 PolarHBondContact O-N 3.21Å; G25-L28 PolarHBondContact O-N 2.99Å; G25-Y29 WeakPolarHBondContact O-CB 3.23Å; G25-Y29 PolarHBondContact O-N 2.97Å
26I97.5Very high94.2Very high37 Ų3752 Ų5219%0.1931%0.314CS..Hα-helixtrans-63.2-45.7173.6-59.3-62.4000110.4W22 S23 Y29 A30 L36 P37 F38 L73W22-I26 WeakPolarHBondContact O-CG1 3.48Å; W22-I26 PolarHBondContact O-N 3.41Å; S23-I26 WeakPolarHBondContact O-CB 3.39Å; S23-I26 PolarHBondContact O-N 3.39Å; I26-Y29 PolarHBondContact O-N 3.47Å; I26-A30 WeakPolarHBondContact O-CB 3.44Å; I26-A30 PolarHBondContact O-N 2.99Å; I26-L36 HydrophobicContact CG2-CD2 4Å; I26-P37 HydrophobicContact CD1-CG 3.5Å; I26-P37 HydrophobicContact CG2-CG 4.43Å; I26-F38 HydrophobicContact CD1-CD2 3.83Å; I26-F38 HydrophobicContact CD1-CE2 3.91Å; I26-L73 HydrophobicContact CD1-CD1 4.25Å; I26-L73 HydrophobicContact CD1-CD2 3.65Å; I26-L73 HydrophobicContact CG1-CD2 4.03Å
27I97.7Very high95.1Very high103 Ų10351.6 Ų51.653%0.52831%0.308SS..Hα-helixtrans-62.1-47177.9-66.4166.6000110.4S23 C24 Y29 A30 L31S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.26Å; C24-I27 PolarHBondContact O-N 3.4Å; I27-Y29 VanDerWaalsContact C-N 3.34Å; I27-Y29 PolarHBondContact O-N 3.05Å; I27-A30 WeakPolarHBondContact O-CB 3.48Å; I27-A30 PolarHBondContact O-N 3.46Å; I27-A30 VanDerWaalsContact O-N 3.12Å; I27-L31 HydrophobicContact CG2-CD1 4.02Å; I27-L31 HydrophobicContact CG2-CG 4.34Å; I27-L31 WeakPolarHBondContact O-CG 3.25Å; I27-L31 PolarHBondContact O-N 3.46Å
28L97.1Very high95.5Very high28 Ų2848.5 Ų48.515%0.14729%0.286CS..Hα-helixtrans-59.2-45.9178.8179.159.5000111.4C24 G25 A30 L31 L32 L68 V69 M72 W91C24-L28 WeakPolarHBondContact O-CB 3.48Å; C24-L28 PolarHBondContact O-N 3.35Å; G25-L28 PolarHBondContact O-N 2.99Å; L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.2Å; L28-L31 PolarHBondContact O-N 3.33Å; L28-L32 HydrophobicContact CD1-CD1 4.07Å; L28-L32 HydrophobicContact CD1-CG 4.26Å; L28-L32 HydrophobicContact CG-CD1 4.07Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.21Å; L28-L32 PolarHBondContact O-N 2.83Å; L28-L68 HydrophobicContact CD2-CD2 3.95Å; L28-L68 HydrophobicContact CD2-CG 4.24Å; L28-V69 HydrophobicContact CD2-CG2 3.76Å; L28-V69 HydrophobicContact CG-CG2 3.96Å; L28-M72 HydrophobicContact CD2-SD 4.01Å; L28-W91 HydrophobicContact CD1-CH2 3.77Å; L28-W91 HydrophobicContact CD1-CZ3 3.8Å; L28-W91 HydrophobicContact CD2-CZ3 4.27Å
29Y97.7Very high95.7Very high5 Ų551.7 Ų51.72%0.0230%0.304CS..Hα-helixtrans-59.4-44.2174.7-177.6-80.2000111.5G25 I26 I27 L31 L32 C33 T35 P37 F55 P56 V69G25-Y29 WeakPolarHBondContact O-CB 3.23Å; G25-Y29 PolarHBondContact O-N 2.97Å; I26-Y29 PolarHBondContact O-N 3.47Å; I27-Y29 VanDerWaalsContact C-N 3.34Å; I27-Y29 PolarHBondContact O-N 3.05Å; Y29-L31 VanDerWaalsContact C-N 3.32Å; Y29-L31 PolarHBondContact O-N 3.45Å; Y29-L32 PolarHBondContact O-N 3.47Å; Y29-C33 HydrophobicContact CD1-CB 4.08Å; Y29-C33 HydrophobicContact CE1-CB 3.65Å; Y29-C33 VanDerWaalsContact CZ-SG 3.53Å; Y29-C33 WeakPolarHBondContact O-CB 3.4Å; Y29-C33 PolarHBondContact O-N 3.45Å; Y29-T35 WeakPolarHBondContact CD1-O 3.21Å; Y29-T35 VanDerWaalsContact CE1-O 3.24Å; Y29-T35 WeakPolarHBondContact CE1-O 3.4Å; Y29-P37 HydrophobicContact CD1-CB 3.66Å; Y29-P37 HydrophobicContact CD1-CG 3.88Å; Y29-P37 HydrophobicContact CD2-CB 3.99Å; Y29-P37 HydrophobicContact CE1-CB 3.83Å; Y29-P37 HydrophobicContact CE1-CG 4.46Å; Y29-P37 HydrophobicContact CE2-CB 4.14Å; Y29-P37 HydrophobicContact CG-CB 3.75Å; Y29-P37 HydrophobicContact CG-CG 3.98Å; Y29-F55 AromaticContact CD2-CD2 3.97Å; Y29-F55 HydrophobicContact CD2-CD2 3.97Å; Y29-F55 HydrophobicContact CD2-CE2 4.01Å; Y29-F55 AromaticContact CE2-CD2 3.63Å; Y29-F55 HydrophobicContact CE2-CD2 3.63Å; Y29-F55 HydrophobicContact CE2-CE2 4.01Å; Y29-P56 WeakPolarHBondContact CE2-O 3.49Å; Y29-P56 PolarHBondContact OH-O 3.4Å; Y29-V69 HydrophobicContact CD2-CG1 4.13Å
30A97.3Very high95.8Very high30 Ų3051.3 Ų51.325%0.24830%0.301CS..Hα-helixtrans-62.9-37.3178.700000112.8I26 I27 L28 G34 T35 L36I26-A30 WeakPolarHBondContact O-CB 3.44Å; I26-A30 PolarHBondContact O-N 2.99Å; I27-A30 WeakPolarHBondContact O-CB 3.48Å; I27-A30 PolarHBondContact O-N 3.46Å; I27-A30 VanDerWaalsContact O-N 3.12Å; L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.2Å; A30-G34 WeakPolarHBondContact O-CA 3.08Å; A30-G34 PolarHBondContact O-N 3.08Å; A30-T35 WeakPolarHBondContact CA-O 3.28Å; A30-L36 HydrophobicContact CB-CD2 4.36Å
31L97.1Very high95.9Very high139 Ų13956 Ų5673%0.72832%0.32SS*.Hα-helixtrans-67.1-37.1175.3-69.6172.9000112.4I27 L28 Y29I27-L31 HydrophobicContact CG2-CD1 4.02Å; I27-L31 HydrophobicContact CG2-CG 4.34Å; I27-L31 WeakPolarHBondContact O-CG 3.25Å; I27-L31 PolarHBondContact O-N 3.46Å; L28-L31 PolarHBondContact O-N 3.33Å; Y29-L31 VanDerWaalsContact C-N 3.32Å; Y29-L31 PolarHBondContact O-N 3.45Å
32L95.9Very high95.8Very high52 Ų5261.2 Ų61.227%0.27234%0.343SS..Hα-helixtrans-79.6-38-179.2-67.5172.7000113.1L28 Y29 L61 A65 V69 W91L28-L32 HydrophobicContact CD1-CD1 4.07Å; L28-L32 HydrophobicContact CD1-CG 4.26Å; L28-L32 HydrophobicContact CG-CD1 4.07Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.21Å; L28-L32 PolarHBondContact O-N 2.83Å; Y29-L32 PolarHBondContact O-N 3.47Å; L32-L61 HydrophobicContact CB-CD2 3.84Å; L32-A65 HydrophobicContact CD1-CB 4.19Å; L32-V69 HydrophobicContact CD1-CG2 4.17Å; L32-W91 HydrophobicContact CD2-CH2 4.23Å; L32-W91 HydrophobicContact CD2-CZ2 3.98Å
33C95.2Very high95.6Very high15 Ų1563.3 Ų63.310%0.10136%0.36CS..Hα-helixtrans-107.2-13.1-170.7-60.70000114.4Y29 T35 Y60Y29-C33 HydrophobicContact CD1-CB 4.08Å; Y29-C33 HydrophobicContact CE1-CB 3.65Å; Y29-C33 VanDerWaalsContact CZ-SG 3.53Å; Y29-C33 WeakPolarHBondContact O-CB 3.4Å; Y29-C33 PolarHBondContact O-N 3.45Å; C33-T35 PolarHBondContact O-N 3.48Å; C33-T35 PolarHBondContact O-OG1 2.87Å; C33-Y60 WeakPolarHBondContact CA-OH 3.5Å
34G95.1Very high95.5Very high70 Ų7064 Ų6472%0.72236%0.363SS*.SBendtrans67.211.2-173.300000114.7A30A30-G34 WeakPolarHBondContact O-CA 3.08Å; A30-G34 PolarHBondContact O-N 3.08Å
35T94.8Very high95.2Very high83 Ų8363.1 Ų63.151%0.50936%0.356SS..SBendtrans-144.5160.7-174.849.40000110.1Y29 A30 C33Y29-T35 WeakPolarHBondContact CD1-O 3.21Å; Y29-T35 VanDerWaalsContact CE1-O 3.24Å; Y29-T35 WeakPolarHBondContact CE1-O 3.4Å; A30-T35 WeakPolarHBondContact CA-O 3.28Å; C33-T35 PolarHBondContact O-N 3.48Å; C33-T35 PolarHBondContact O-OG1 2.87Å
36L95.3Very high95Very high93 Ų9365 Ų6549%0.48737%0.366SS..  trans-81.1144.6176-66.2174.9000111I26 A30 F38 D39I26-L36 HydrophobicContact CG2-CD2 4Å; A30-L36 HydrophobicContact CB-CD2 4.36Å; L36-F38 VanDerWaalsContact C-N 3.3Å; L36-F38 PolarHBondContact O-N 3.39Å; L36-D39 HydrophobicContact CB-CB 4.42Å
37P95.4Very high94.7Very high7 Ų768.6 Ų68.65%0.04538%0.38CS..SBendtrans-71.1-28.8178.926.8-30.4000112.1I26 Y29 F55 L73I26-P37 HydrophobicContact CD1-CG 3.5Å; I26-P37 HydrophobicContact CG2-CG 4.43Å; Y29-P37 HydrophobicContact CD1-CB 3.66Å; Y29-P37 HydrophobicContact CD1-CG 3.88Å; Y29-P37 HydrophobicContact CD2-CB 3.99Å; Y29-P37 HydrophobicContact CE1-CB 3.83Å; Y29-P37 HydrophobicContact CE1-CG 4.46Å; Y29-P37 HydrophobicContact CE2-CB 4.14Å; Y29-P37 HydrophobicContact CG-CB 3.75Å; Y29-P37 HydrophobicContact CG-CG 3.98Å; P37-F55 HydrophobicContact CB-CB 3.67Å; P37-F55 HydrophobicContact CB-CD2 4.12Å; P37-F55 HydrophobicContact CB-CG 3.92Å; P37-F55 VanDerWaalsContact O-CB 3.27Å; P37-F55 WeakPolarHBondContact O-CB 3.45Å; P37-L73 HydrophobicContact CB-CD1 4.4Å; P37-L73 HydrophobicContact CG-CD1 4.19Å
38F95.7Very high94.4Very high15 Ų1571.1 Ų71.17%0.06638%0.384CS..SBendtrans-127.8113.2176-46.8-73.1000108.9W22 I26 L36 L46 K49 I50 F55 L73W22-F38 HydrophobicContact CH2-CE2 4.16Å; W22-F38 HydrophobicContact CH2-CZ 4.41Å; W22-F38 HydrophobicContact CZ2-CD2 4.45Å; W22-F38 AromaticContact CZ2-CE2 3.8Å; W22-F38 HydrophobicContact CZ2-CE2 3.8Å; W22-F38 HydrophobicContact CZ2-CZ 4.46Å; I26-F38 HydrophobicContact CD1-CD2 3.83Å; I26-F38 HydrophobicContact CD1-CE2 3.91Å; L36-F38 VanDerWaalsContact C-N 3.3Å; L36-F38 PolarHBondContact O-N 3.39Å; F38-L46 HydrophobicContact CB-CD1 4.09Å; F38-K49 HydrophobicContact CD1-CB 4.19Å; F38-I50 HydrophobicContact CB-CG1 3.91Å; F38-I50 HydrophobicContact CD2-CG1 4.24Å; F38-I50 HydrophobicContact CG-CG1 4.06Å; F38-F55 HydrophobicContact CD1-CB 4.29Å; F38-F55 HydrophobicContact CE1-CB 3.84Å; F38-F55 HydrophobicContact CE1-CD1 4.08Å; F38-F55 HydrophobicContact CE1-CG 4.44Å; F38-F55 HydrophobicContact CZ-CB 4.18Å; F38-F55 AromaticContact CZ-CD1 3.72Å; F38-F55 HydrophobicContact CZ-CD1 3.72Å; F38-F55 HydrophobicContact CZ-CG 4.35Å; F38-L73 HydrophobicContact CE2-CD1 4.42Å
39D93.2Very high94.2Very high105 Ų10573.4 Ų73.456%0.56139%0.392SS*.  trans-143142.5176.1-169.923.6000110.2L36 K49L36-D39 HydrophobicContact CB-CB 4.42Å; D39-K49 PolarHBondContact O-NZ 3.16Å
40D92.9Very high93.9Very high45 Ų4575.6 Ų75.624%0.24140%0.404CS..  trans-168.3136176.4-152.5-80.2000109.8H42 T45 L46 K49D40-H42 PolarHBondContact O-N 3.43Å; D40-H42 WeakPolarHBondContact OD1-CB 3.35Å; D40-H42 PolarHBondContact OD1-N 3.16Å; D40-T45 HydrophobicContact CB-CG2 4.49Å; D40-T45 WeakPolarHBondContact OD2-CG2 3.39Å; D40-L46 HydrophobicContact CB-CB 3.94Å; D40-K49 HydrophobicContact CB-CD 4.46Å; D40-K49 VanDerWaalsContact OD2-CE 3.24Å; D40-K49 WeakPolarHBondContact OD2-CE 3.17Å; D40-K49 IonicContact OD2-NZ 3.94Å; D40-K49 PolarHBondContact OD2-NZ 3.49Å
41E94.3Very high93.6Very high201 Ų20180.6 Ų80.694%0.93942%0.42SS*.SBendtrans-63-31.2174.8-63.8-175.6168.700111.9V43E41-V43 PolarHBondContact O-N 3Å
42H94Very high93.4Very high109 Ų10977.3 Ų77.351%0.50541%0.408SS..SBendtrans-92.4105.3179.7-16861.6000111.1D40 P44 T45 L46D40-H42 PolarHBondContact O-N 3.43Å; D40-H42 WeakPolarHBondContact OD1-CB 3.35Å; D40-H42 PolarHBondContact OD1-N 3.16Å; H42-P44 WeakPolarHBondContact NE2-CD 3.39Å; H42-P44 VanDerWaalsContact NE2-CG 3.35Å; H42-P44 WeakPolarHBondContact NE2-CG 3.5Å; H42-T45 PolarHBondContact CD2-OG1 3.41Å; H42-T45 WeakPolarHBondContact O-CA 3.41Å; H42-T45 WeakPolarHBondContact O-CB 2.95Å; H42-T45 PolarHBondContact O-N 3.02Å; H42-L46 PolarHBondContact O-N 2.96Å
43V92.1Very high93.3Very high82 Ų8275.7 Ų75.750%0.49741%0.405SS..Hα-helixtrans-48.1-44.7-177.1174.40000114.3E41 T45 L46 F47E41-V43 PolarHBondContact O-N 3Å; V43-T45 VanDerWaalsContact C-N 3.31Å; V43-T45 PolarHBondContact O-N 2.7Å; V43-L46 WeakPolarHBondContact O-CB 3.3Å; V43-L46 PolarHBondContact O-N 3.24Å; V43-F47 HydrophobicContact CG1-CD2 3.61Å; V43-F47 HydrophobicContact CG1-CE2 3.3Å; V43-F47 HydrophobicContact CG1-CZ 4.38Å; V43-F47 WeakPolarHBondContact O-CD2 3.27Å; V43-F47 PolarHBondContact O-N 3.15Å
44P92Very high93.2Very high66 Ų6680.3 Ų80.343%0.42943%0.432SS..Hα-helixtrans-60.6-34.7174.1-27.536.1000114.8H42 R48H42-P44 WeakPolarHBondContact NE2-CD 3.39Å; H42-P44 VanDerWaalsContact NE2-CG 3.35Å; H42-P44 WeakPolarHBondContact NE2-CG 3.5Å; P44-R48 PolarHBondContact O-N 3.43Å; P44-R48 VanDerWaalsContact O-N 3.14Å
45T91.8Very high93.1Very high40 Ų4078.3 Ų78.325%0.24540%0.403CS..Hα-helixtrans-73.8-40.3175.5-60.60000110.9D40 H42 V43 F47 R48 K49D40-T45 HydrophobicContact CB-CG2 4.49Å; D40-T45 WeakPolarHBondContact OD2-CG2 3.39Å; H42-T45 PolarHBondContact CD2-OG1 3.41Å; H42-T45 WeakPolarHBondContact O-CA 3.41Å; H42-T45 WeakPolarHBondContact O-CB 2.95Å; H42-T45 PolarHBondContact O-N 3.02Å; V43-T45 VanDerWaalsContact C-N 3.31Å; V43-T45 PolarHBondContact O-N 2.7Å; T45-F47 VanDerWaalsContact C-N 3.35Å; T45-F47 PolarHBondContact O-N 3.41Å; T45-R48 WeakPolarHBondContact O-CA 3.14Å; T45-R48 WeakPolarHBondContact O-CB 2.88Å; T45-R48 PolarHBondContact O-N 2.96Å; T45-R48 PolarHBondContact OG1-NH1 3.29Å; T45-K49 PolarHBondContact O-N 3.4Å
46L92.3Very high93.1Very high39 Ų3978.5 Ų78.520%0.20441%0.406CS..Hα-helixtrans-54.3-50.4170.717660.2000111.2F38 D40 H42 V43 R48 K49 I50F38-L46 HydrophobicContact CB-CD1 4.09Å; D40-L46 HydrophobicContact CB-CB 3.94Å; H42-L46 PolarHBondContact O-N 2.96Å; V43-L46 WeakPolarHBondContact O-CB 3.3Å; V43-L46 PolarHBondContact O-N 3.24Å; L46-R48 PolarHBondContact O-N 3.01Å; L46-K49 WeakPolarHBondContact O-CB 3.24Å; L46-K49 PolarHBondContact O-N 3.26Å; L46-K49 VanDerWaalsContact O-N 3.1Å; L46-I50 HydrophobicContact CD1-CD1 4.03Å; L46-I50 HydrophobicContact CD1-CG1 4.29Å; L46-I50 HydrophobicContact CG-CD1 3.93Å; L46-I50 WeakPolarHBondContact O-CG1 3.23Å; L46-I50 PolarHBondContact O-N 3.09Å
47F91Very high93.1Very high113 Ų11378 Ų7850%0.49640%0.403SS..Hα-helixtrans-61.3-31.4176.4-79.1-60.1000113.1V43 T45 K51V43-F47 HydrophobicContact CG1-CD2 3.61Å; V43-F47 HydrophobicContact CG1-CE2 3.3Å; V43-F47 HydrophobicContact CG1-CZ 4.38Å; V43-F47 WeakPolarHBondContact O-CD2 3.27Å; V43-F47 PolarHBondContact O-N 3.15Å; T45-F47 VanDerWaalsContact C-N 3.35Å; T45-F47 PolarHBondContact O-N 3.41Å; F47-K51 WeakPolarHBondContact O-CB 3.22Å; F47-K51 WeakPolarHBondContact O-CG 3.41Å; F47-K51 PolarHBondContact O-N 2.71Å
48R92.2Very high93Very high157 Ų15779.1 Ų79.159%0.59241%0.41SS*.Hα-helixtrans-69.3-40.3174.8-165.4-178.1-63.5105.50.5111.5P44 T45 L46 K51 S52P44-R48 PolarHBondContact O-N 3.43Å; P44-R48 VanDerWaalsContact O-N 3.14Å; T45-R48 WeakPolarHBondContact O-CA 3.14Å; T45-R48 WeakPolarHBondContact O-CB 2.88Å; T45-R48 PolarHBondContact O-N 2.96Å; T45-R48 PolarHBondContact OG1-NH1 3.29Å; L46-R48 PolarHBondContact O-N 3.01Å; R48-K51 PolarHBondContact O-N 3.02Å; R48-S52 PolarHBondContact O-N 3.47Å
49K92.2Very high92.9Very high75 Ų7586.7 Ų86.733%0.32645%0.452SS..Hα-helixtrans-63.9-46.2173.9-68.5179.1179.4171.20111.7F38 D39 D40 T45 L46 K51 S52 G53F38-K49 HydrophobicContact CD1-CB 4.19Å; D39-K49 PolarHBondContact O-NZ 3.16Å; D40-K49 HydrophobicContact CB-CD 4.46Å; D40-K49 VanDerWaalsContact OD2-CE 3.24Å; D40-K49 WeakPolarHBondContact OD2-CE 3.17Å; D40-K49 IonicContact OD2-NZ 3.94Å; D40-K49 PolarHBondContact OD2-NZ 3.49Å; T45-K49 PolarHBondContact O-N 3.4Å; L46-K49 WeakPolarHBondContact O-CB 3.24Å; L46-K49 PolarHBondContact O-N 3.26Å; L46-K49 VanDerWaalsContact O-N 3.1Å; K49-K51 VanDerWaalsContact C-N 3.31Å; K49-K51 PolarHBondContact O-N 3.12Å; K49-S52 PolarHBondContact O-N 2.81Å; K49-S52 PolarHBondContact O-OG 2.89Å; K49-G53 PolarHBondContact O-N 3.22Å; K49-G53 VanDerWaalsContact O-N 3.08Å
50I93.1Very high93Very high51 Ų5189 Ų8926%0.26245%0.453SS..Hα-helixtrans-59.6-44176.2-67.4168.9000110.7W22 F38 L46 S52 G53W22-I50 HydrophobicContact CZ2-CG2 3.98Å; F38-I50 HydrophobicContact CB-CG1 3.91Å; F38-I50 HydrophobicContact CD2-CG1 4.24Å; F38-I50 HydrophobicContact CG-CG1 4.06Å; L46-I50 HydrophobicContact CD1-CD1 4.03Å; L46-I50 HydrophobicContact CD1-CG1 4.29Å; L46-I50 HydrophobicContact CG-CD1 3.93Å; L46-I50 WeakPolarHBondContact O-CG1 3.23Å; L46-I50 PolarHBondContact O-N 3.09Å; I50-S52 PolarHBondContact O-N 3.36Å; I50-G53 PolarHBondContact O-N 3Å
51K91.2Very high93Very high136 Ų13688.1 Ų88.159%0.59145%0.449SS*.Hα-helixtrans-70.2-27.5178.4-75.3174.9-177.3175.60113.7F47 R48 K49F47-K51 WeakPolarHBondContact O-CB 3.22Å; F47-K51 WeakPolarHBondContact O-CG 3.41Å; F47-K51 PolarHBondContact O-N 2.71Å; R48-K51 PolarHBondContact O-N 3.02Å; K49-K51 VanDerWaalsContact C-N 3.31Å; K49-K51 PolarHBondContact O-N 3.12Å
52S92.7Very high93Very high69 Ų6983.7 Ų83.748%0.48343%0.428SS..Hα-helixtrans-76.6-28.1175.369.10000111.9R48 K49 I50 V54R48-S52 PolarHBondContact O-N 3.47Å; K49-S52 PolarHBondContact O-N 2.81Å; K49-S52 PolarHBondContact O-OG 2.89Å; I50-S52 PolarHBondContact O-N 3.36Å; S52-V54 PolarHBondContact O-N 3.49Å
53G92.1Very high93Very high19 Ų1987.4 Ų87.420%0.19644%0.443CS..THydrogen-bonded Turntrans70.116.2-179.200000113.9K49 I50K49-G53 PolarHBondContact O-N 3.22Å; K49-G53 VanDerWaalsContact O-N 3.08Å; I50-G53 PolarHBondContact O-N 3Å
54V93.1Very high93.2Very high111 Ų11185 Ų8567%0.67343%0.43SS*.  trans-101.4120.3-179.6-177.70000108.9S52S52-V54 PolarHBondContact O-N 3.49Å
55F95Very high93.3Very high28 Ų2882 Ų8212%0.12341%0.411CS..  trans-132.8152.5178.557.1-88.2000110.1Y29 P37 F38 I57 V69 V70 L73Y29-F55 AromaticContact CD2-CD2 3.97Å; Y29-F55 HydrophobicContact CD2-CD2 3.97Å; Y29-F55 HydrophobicContact CD2-CE2 4.01Å; Y29-F55 AromaticContact CE2-CD2 3.63Å; Y29-F55 HydrophobicContact CE2-CD2 3.63Å; Y29-F55 HydrophobicContact CE2-CE2 4.01Å; P37-F55 HydrophobicContact CB-CB 3.67Å; P37-F55 HydrophobicContact CB-CD2 4.12Å; P37-F55 HydrophobicContact CB-CG 3.92Å; P37-F55 VanDerWaalsContact O-CB 3.27Å; P37-F55 WeakPolarHBondContact O-CB 3.45Å; F38-F55 HydrophobicContact CD1-CB 4.29Å; F38-F55 HydrophobicContact CE1-CB 3.84Å; F38-F55 HydrophobicContact CE1-CD1 4.08Å; F38-F55 HydrophobicContact CE1-CG 4.44Å; F38-F55 HydrophobicContact CZ-CB 4.18Å; F38-F55 AromaticContact CZ-CD1 3.72Å; F38-F55 HydrophobicContact CZ-CD1 3.72Å; F38-F55 HydrophobicContact CZ-CG 4.35Å; F55-I57 HydrophobicContact CD2-CG1 4.21Å; F55-I57 HydrophobicContact CE2-CD1 4.43Å; F55-I57 HydrophobicContact CE2-CG1 3.94Å; F55-V69 HydrophobicContact CE2-CG1 4.01Å; F55-V69 HydrophobicContact CZ-CG1 3.93Å; F55-V70 HydrophobicContact CZ-CG2 3.84Å; F55-L73 HydrophobicContact CD1-CD1 4.31Å; F55-L73 HydrophobicContact CE1-CB 4.02Å; F55-L73 HydrophobicContact CE1-CD1 3.92Å; F55-L73 HydrophobicContact CZ-CD1 4.05Å
56P94.5Very high93.5Very high87 Ų8781.4 Ų81.457%0.56541%0.406SS*.  trans-67.4143.5178.927.3-32.2000110.9Y29Y29-P56 WeakPolarHBondContact CE2-O 3.49Å; Y29-P56 PolarHBondContact OH-O 3.4Å
57I94.3Very high93.7Very high83 Ų8384.1 Ų84.143%0.42642%0.421SS..  trans-120.9110.2175.6-63.3165.5000107.1F55 L61 V66 V70F55-I57 HydrophobicContact CD2-CG1 4.21Å; F55-I57 HydrophobicContact CE2-CD1 4.43Å; F55-I57 HydrophobicContact CE2-CG1 3.94Å; I57-L61 HydrophobicContact CG2-CD1 4.38Å; I57-V66 HydrophobicContact CD1-CG1 3.75Å; I57-V66 HydrophobicContact CG1-CG1 4.33Å; I57-V66 HydrophobicContact CG2-CB 4.41Å; I57-V66 HydrophobicContact CG2-CG1 3.82Å; I57-V66 HydrophobicContact CG2-CG2 3.61Å; I57-V70 HydrophobicContact CD1-CG2 4.33Å
58P93.3Very high94Very high31 Ų3178.8 Ų78.820%0.20140%0.398CS..  trans-66.7145177.3-21.532.3000113.3Y60 L61P58-Y60 HydrophobicContact CB-CD1 3.58Å; P58-Y60 HydrophobicContact CB-CD2 4.32Å; P58-Y60 HydrophobicContact CB-CE1 3.15Å; P58-Y60 HydrophobicContact CB-CE2 3.94Å; P58-Y60 HydrophobicContact CB-CG 4.15Å; P58-Y60 HydrophobicContact CG-CE1 3.89Å; P58-Y60 HydrophobicContact CG-CE2 4.33Å; P58-Y60 WeakPolarHBondContact CG-OH 3.43Å; P58-Y60 PolarHBondContact O-N 3Å; P58-L61 HydrophobicContact CB-CG 4.49Å; P58-L61 HydrophobicContact CG-CD1 4.5Å; P58-L61 PolarHBondContact O-N 3.31Å
59D93.2Very high94.3Very high174 Ų17471.5 Ų71.593%0.9337%0.371SS*.THydrogen-bonded Turntrans-66.3-18.8-176.8-62.9-37.2000114.2L61D59-L61 VanDerWaalsContact C-N 3.29Å
60Y94.9Very high94.5Very high152 Ų15270.4 Ų70.460%0.59637%0.37SS*.THydrogen-bonded Turntrans-78.3-11.2178.359.1-106.2000113.5C33 P58C33-Y60 WeakPolarHBondContact CA-OH 3.5Å; P58-Y60 HydrophobicContact CB-CD1 3.58Å; P58-Y60 HydrophobicContact CB-CD2 4.32Å; P58-Y60 HydrophobicContact CB-CE1 3.15Å; P58-Y60 HydrophobicContact CB-CE2 3.94Å; P58-Y60 HydrophobicContact CB-CG 4.15Å; P58-Y60 HydrophobicContact CG-CE1 3.89Å; P58-Y60 HydrophobicContact CG-CE2 4.33Å; P58-Y60 WeakPolarHBondContact CG-OH 3.43Å; P58-Y60 PolarHBondContact O-N 3Å
61L94Very high94.6Very high27 Ų2770.8 Ų70.814%0.14137%0.371CS..SBendtrans-77.7137.2-180-66.9-177.9000111.5L32 I57 P58 D59 V66L32-L61 HydrophobicContact CB-CD2 3.84Å; I57-L61 HydrophobicContact CG2-CD1 4.38Å; P58-L61 HydrophobicContact CB-CG 4.49Å; P58-L61 HydrophobicContact CG-CD1 4.5Å; P58-L61 PolarHBondContact O-N 3.31Å; D59-L61 VanDerWaalsContact C-N 3.29Å; L61-V66 HydrophobicContact CB-CG2 3.59Å; L61-V66 HydrophobicContact CD1-CG2 3.98Å; L61-V66 HydrophobicContact CG-CG2 4.49Å
62E93.3Very high94.9Very high108 Ų10864.7 Ų64.751%0.50534%0.344SS..  trans-64.6137.7173.4-163.7-165.4150.100110.9S64 A65 V66E62-S64 PolarHBondContact O-N 2.75Å; E62-S64 VanDerWaalsContact O-N 3.13Å; E62-S64 WeakPolarHBondContact OE1-CB 3.45Å; E62-A65 HydrophobicContact CB-CB 4.43Å; E62-A65 WeakPolarHBondContact O-CB 3.4Å; E62-A65 PolarHBondContact O-N 2.85Å; E62-A65 VanDerWaalsContact O-N 3.07Å; E62-V66 WeakPolarHBondContact O-CG2 3.16Å; E62-V66 PolarHBondContact O-N 3.27Å
63K94.9Very high95.1Very high188 Ų18861.6 Ų61.682%0.81732%0.322SS*.Hα-helixtrans-54.8-34.7179.4-64.7-178.7-178.51780113N67K63-N67 WeakPolarHBondContact O-CB 3.27Å; K63-N67 PolarHBondContact O-N 3.34Å
64S95.3Very high95.3Very high32 Ų3263.9 Ų63.922%0.22433%0.328CS..Hα-helixtrans-66.3-46.2178-1600000111.5E62 V66 N67 L68 H89 W91E62-S64 PolarHBondContact O-N 2.75Å; E62-S64 VanDerWaalsContact O-N 3.13Å; E62-S64 WeakPolarHBondContact OE1-CB 3.45Å; S64-V66 PolarHBondContact O-N 3.15Å; S64-N67 WeakPolarHBondContact O-CB 3.48Å; S64-N67 PolarHBondContact O-N 3.03Å; S64-L68 PolarHBondContact O-N 2.76Å; S64-H89 PolarHBondContact O-CE1 3.41Å; S64-W91 WeakPolarHBondContact OG-CB 3.48Å
65A95.7Very high95.3Very high3 Ų361.4 Ų61.43%0.02531%0.313CS..Hα-helixtrans-60.7-44.917500000111.9L32 E62 N67 L68 V69 W91L32-A65 HydrophobicContact CD1-CB 4.19Å; E62-A65 HydrophobicContact CB-CB 4.43Å; E62-A65 WeakPolarHBondContact O-CB 3.4Å; E62-A65 PolarHBondContact O-N 2.85Å; E62-A65 VanDerWaalsContact O-N 3.07Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 3.27Å; A65-L68 PolarHBondContact O-N 3.37Å; A65-V69 WeakPolarHBondContact O-CG2 3.05Å; A65-V69 PolarHBondContact O-N 3.08Å; A65-W91 HydrophobicContact CB-CD2 3.98Å; A65-W91 HydrophobicContact CB-CG 4.08Å; A65-W91 HydrophobicContact CB-CZ2 4.1Å
66V96Very high95.1Very high26 Ų2663.1 Ų63.116%0.15832%0.323CS..Hα-helixtrans-60.8-42.6178174.70000111.1I57 L61 E62 S64 L68 V69 V70I57-V66 HydrophobicContact CD1-CG1 3.75Å; I57-V66 HydrophobicContact CG1-CG1 4.33Å; I57-V66 HydrophobicContact CG2-CB 4.41Å; I57-V66 HydrophobicContact CG2-CG1 3.82Å; I57-V66 HydrophobicContact CG2-CG2 3.61Å; L61-V66 HydrophobicContact CB-CG2 3.59Å; L61-V66 HydrophobicContact CD1-CG2 3.98Å; L61-V66 HydrophobicContact CG-CG2 4.49Å; E62-V66 WeakPolarHBondContact O-CG2 3.16Å; E62-V66 PolarHBondContact O-N 3.27Å; S64-V66 PolarHBondContact O-N 3.15Å; V66-L68 VanDerWaalsContact C-N 3.33Å; V66-L68 PolarHBondContact O-N 3.26Å; V66-V69 PolarHBondContact O-N 3.47Å; V66-V70 HydrophobicContact CG1-CG2 4.18Å; V66-V70 WeakPolarHBondContact O-CB 3.3Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3.06Å; V66-V70 PolarHBondContact O-N 3.19Å
67N96.4Very high94.9Very high96 Ų9661.7 Ų61.751%0.51332%0.315SS..Hα-helixtrans-58.3-45.9177.7-170.2-94.2000111.5K63 S64 A65 V70 H71 H89K63-N67 WeakPolarHBondContact O-CB 3.27Å; K63-N67 PolarHBondContact O-N 3.34Å; S64-N67 WeakPolarHBondContact O-CB 3.48Å; S64-N67 PolarHBondContact O-N 3.03Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 3.27Å; N67-V70 PolarHBondContact O-N 3.33Å; N67-H71 WeakPolarHBondContact O-CB 3.35Å; N67-H71 PolarHBondContact O-N 2.99Å; N67-H89 PolarHBondContact OD1-NE2 2.93Å
68L97.3Very high94.6Very high1 Ų165.1 Ų65.11%0.00533%0.332CS..Hα-helixtrans-60.5-50.1176.4179.957.6000111.9L28 S64 A65 V66 V70 H71 M72 V86 H89 W91 F92L28-L68 HydrophobicContact CD2-CD2 3.95Å; L28-L68 HydrophobicContact CD2-CG 4.24Å; S64-L68 PolarHBondContact O-N 2.76Å; A65-L68 PolarHBondContact O-N 3.37Å; V66-L68 VanDerWaalsContact C-N 3.33Å; V66-L68 PolarHBondContact O-N 3.26Å; L68-V70 PolarHBondContact O-N 3.06Å; L68-H71 WeakPolarHBondContact O-CB 3.28Å; L68-H71 PolarHBondContact O-N 2.94Å; L68-H71 VanDerWaalsContact O-N 3.1Å; L68-M72 HydrophobicContact CD1-CG 4.1Å; L68-M72 HydrophobicContact CD1-SD 4Å; L68-M72 HydrophobicContact CG-CG 4.46Å; L68-M72 HydrophobicContact CG-SD 3.93Å; L68-M72 WeakPolarHBondContact O-CG 3.49Å; L68-M72 PolarHBondContact O-N 3.33Å; L68-V86 HydrophobicContact CD1-CB 4.41Å; L68-V86 HydrophobicContact CD1-CG1 4.24Å; L68-V86 HydrophobicContact CD1-CG2 4.17Å; L68-H89 HydrophobicContact CD1-CB 3.93Å; L68-W91 HydrophobicContact CD2-CE3 3.63Å; L68-W91 HydrophobicContact CD2-CZ3 4.21Å; L68-F92 HydrophobicContact CD2-CB 4.26Å
69V97.1Very high94.6Very high4 Ų470.2 Ų70.22%0.02435%0.351CS..Hα-helixtrans-61.1-44-178.8174.80000111.2L28 Y29 L32 F55 A65 V66 H71 M72 L73L28-V69 HydrophobicContact CD2-CG2 3.76Å; L28-V69 HydrophobicContact CG-CG2 3.96Å; Y29-V69 HydrophobicContact CD2-CG1 4.13Å; L32-V69 HydrophobicContact CD1-CG2 4.17Å; F55-V69 HydrophobicContact CE2-CG1 4.01Å; F55-V69 HydrophobicContact CZ-CG1 3.93Å; A65-V69 WeakPolarHBondContact O-CG2 3.05Å; A65-V69 PolarHBondContact O-N 3.08Å; V66-V69 PolarHBondContact O-N 3.47Å; V69-H71 VanDerWaalsContact C-N 3.27Å; V69-H71 PolarHBondContact O-N 3.07Å; V69-M72 PolarHBondContact O-N 3.37Å; V69-L73 HydrophobicContact CG1-CD1 3.75Å; V69-L73 HydrophobicContact CG1-CG 4.28Å; V69-L73 WeakPolarHBondContact O-CB 3.28Å; V69-L73 WeakPolarHBondContact O-CG 3.46Å; V69-L73 PolarHBondContact O-N 3.06Å
70V96.4Very high94.7Very high52 Ų5263.3 Ų63.332%0.31531%0.312SS..Hα-helixtrans-62.6-35.7176.2170.30000111.5F55 I57 V66 N67 L68 Q74F55-V70 HydrophobicContact CZ-CG2 3.84Å; I57-V70 HydrophobicContact CD1-CG2 4.33Å; V66-V70 HydrophobicContact CG1-CG2 4.18Å; V66-V70 WeakPolarHBondContact O-CB 3.3Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3.06Å; V66-V70 PolarHBondContact O-N 3.19Å; N67-V70 PolarHBondContact O-N 3.33Å; L68-V70 PolarHBondContact O-N 3.06Å; V70-Q74 PolarHBondContact O-N 3.36Å
71H96.4Very high94.7Very high59 Ų5956.2 Ų56.227%0.27328%0.284SS..Hα-helixtrans-71.2-39.3177.8-164.3-165000112.2N67 L68 V69 A81N67-H71 WeakPolarHBondContact O-CB 3.35Å; N67-H71 PolarHBondContact O-N 2.99Å; L68-H71 WeakPolarHBondContact O-CB 3.28Å; L68-H71 PolarHBondContact O-N 2.94Å; L68-H71 VanDerWaalsContact O-N 3.1Å; V69-H71 VanDerWaalsContact C-N 3.27Å; V69-H71 PolarHBondContact O-N 3.07Å; H71-A81 HydrophobicContact CB-CB 4.25Å; H71-A81 PolarHBondContact O-N 2.69Å
72M97.2Very high94.7Very high8 Ų858.2 Ų58.24%0.03930%0.298CS..Hα-helixtrans-70.9-33.8175.1-66.117678.300112.8V21 C24 L28 L68 V69 Q74 R80 A81 V86V21-M72 HydrophobicContact CG1-CB 4.06Å; V21-M72 HydrophobicContact CG1-CE 4.04Å; V21-M72 HydrophobicContact CG1-CG 3.97Å; V21-M72 WeakPolarHBondContact O-CE 2.94Å; C24-M72 HydrophobicContact CB-CE 3.56Å; L28-M72 HydrophobicContact CD2-SD 4.01Å; L68-M72 HydrophobicContact CD1-CG 4.1Å; L68-M72 HydrophobicContact CD1-SD 4Å; L68-M72 HydrophobicContact CG-CG 4.46Å; L68-M72 HydrophobicContact CG-SD 3.93Å; L68-M72 WeakPolarHBondContact O-CG 3.49Å; L68-M72 PolarHBondContact O-N 3.33Å; V69-M72 PolarHBondContact O-N 3.37Å; M72-Q74 VanDerWaalsContact C-N 3.34Å; M72-Q74 PolarHBondContact O-N 2.85Å; M72-R80 WeakPolarHBondContact O-CD 2.97Å; M72-R80 VanDerWaalsContact O-CG 3.25Å; M72-R80 WeakPolarHBondContact O-CG 3.32Å; M72-A81 HydrophobicContact CG-CB 4.22Å; M72-V86 HydrophobicContact CE-CG2 4.21Å; M72-V86 HydrophobicContact CG-CG2 3.86Å; M72-V86 HydrophobicContact SD-CG2 4.09Å
73L96.7Very high94.7Very high4 Ų457 Ų572%0.02129%0.294CS..THydrogen-bonded Turntrans-9525.5-179.2-62.4-176.5000113.5W22 I26 P37 F38 F55 V69 V75W22-L73 HydrophobicContact CD2-CD2 4.03Å; W22-L73 HydrophobicContact CE3-CD2 4.18Å; W22-L73 HydrophobicContact CG-CD2 4.41Å; W22-L73 VanDerWaalsContact CZ3-C 3.5Å; W22-L73 HydrophobicContact CZ3-CB 4.39Å; W22-L73 VanDerWaalsContact CZ3-O 3.23Å; W22-L73 WeakPolarHBondContact CZ3-O 3.32Å; W22-L73 WeakPolarHBondContact O-CD2 3.37Å; I26-L73 HydrophobicContact CD1-CD1 4.25Å; I26-L73 HydrophobicContact CD1-CD2 3.65Å; I26-L73 HydrophobicContact CG1-CD2 4.03Å; P37-L73 HydrophobicContact CB-CD1 4.4Å; P37-L73 HydrophobicContact CG-CD1 4.19Å; F38-L73 HydrophobicContact CE2-CD1 4.42Å; F55-L73 HydrophobicContact CD1-CD1 4.31Å; F55-L73 HydrophobicContact CE1-CB 4.02Å; F55-L73 HydrophobicContact CE1-CD1 3.92Å; F55-L73 HydrophobicContact CZ-CD1 4.05Å; V69-L73 HydrophobicContact CG1-CD1 3.75Å; V69-L73 HydrophobicContact CG1-CG 4.28Å; V69-L73 WeakPolarHBondContact O-CB 3.28Å; V69-L73 WeakPolarHBondContact O-CG 3.46Å; V69-L73 PolarHBondContact O-N 3.06Å; L73-V75 PolarHBondContact O-N 2.95Å
74Q95.7Very high94.6Very high67 Ų6756.3 Ų56.331%0.31329%0.291SS..  trans-64.4126.3168.7-77.8-65-27.100111.1W22 V70 M72 D76 R80W22-Q74 WeakPolarHBondContact CZ3-O 3.46Å; V70-Q74 PolarHBondContact O-N 3.36Å; M72-Q74 VanDerWaalsContact C-N 3.34Å; M72-Q74 PolarHBondContact O-N 2.85Å; Q74-D76 VanDerWaalsContact C-N 3.3Å; Q74-D76 PolarHBondContact O-N 3.48Å; Q74-R80 HydrophobicContact CB-CB 4.04Å; Q74-R80 HydrophobicContact CB-CG 4.42Å; Q74-R80 PolarHBondContact O-NE 3.1Å; Q74-R80 PolarHBondContact O-NH2 3.5Å
75V93.2Very high94.6Very high60 Ų6058.1 Ų58.136%0.36430%0.298SS..SBendtrans-65.2-37.5179.61780000111W22 L73 P77 R80W22-V75 HydrophobicContact CH2-CG2 4.4Å; L73-V75 PolarHBondContact O-N 2.95Å; V75-P77 WeakPolarHBondContact O-CD 3.43Å; V75-R80 PolarHBondContact O-NH2 2.71Å
76D90.4Very high94.5Very high63 Ų6358.5 Ų58.534%0.33730%0.3SS..SBendtrans-77.7112174.9-173.7-3.7000109.7Q74 I78 K79 R80Q74-D76 VanDerWaalsContact C-N 3.3Å; Q74-D76 PolarHBondContact O-N 3.48Å; D76-I78 PolarHBondContact O-N 3.32Å; D76-I78 VanDerWaalsContact O-N 3.15Å; D76-I78 PolarHBondContact OD1-N 3.43Å; D76-K79 HydrophobicContact CB-CB 4.27Å; D76-K79 HydrophobicContact CB-CD 4.25Å; D76-K79 HydrophobicContact CB-CG 4.25Å; D76-K79 PolarHBondContact O-N 3.21Å; D76-R80 PolarHBondContact O-N 3.45Å; D76-R80 VanDerWaalsContact O-N 3.11Å
77P90.3Very high94.4Very high58 Ų5859.6 Ų59.638%0.37731%0.305SS..THydrogen-bonded Turntrans-61.4-24.2-177.525.5-34.8000113.2E18 V75 K79E18-P77 HydrophobicContact CB-CB 4.44Å; E18-P77 HydrophobicContact CG-CB 3.86Å; V75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-K79 VanDerWaalsContact C-N 3.34Å
78I89.1Confident94.2Very high155 Ų15557.6 Ų57.680%0.79530%0.301SS*.THydrogen-bonded Turntrans-72.9-30.8178.3-61175.6000111.3D76D76-I78 PolarHBondContact O-N 3.32Å; D76-I78 VanDerWaalsContact O-N 3.15Å; D76-I78 PolarHBondContact OD1-N 3.43Å
79K92.7Very high94.1Very high138 Ų13858.7 Ų58.760%0.631%0.306SS*.THydrogen-bonded Turntrans-93.9-6.1179-61.6-178.5-176.8178.30112.8D76 P77D76-K79 HydrophobicContact CB-CB 4.27Å; D76-K79 HydrophobicContact CB-CD 4.25Å; D76-K79 HydrophobicContact CB-CG 4.25Å; D76-K79 PolarHBondContact O-N 3.21Å; P77-K79 VanDerWaalsContact C-N 3.34Å
80R95.7Very high94Very high29 Ų2964.6 Ų64.611%0.10933%0.334CS..SBendtrans-70.9140.9-179.5-169.9178.7-611602.2109.9E18 V21 W22 M72 Q74 V75 D76 T82E18-R80 WeakPolarHBondContact O-CD 3.27Å; E18-R80 PolarHBondContact O-NH1 2.63Å; V21-R80 HydrophobicContact CG1-CG 4.46Å; W22-R80 VanDerWaalsContact CE3-NH2 3.3Å; M72-R80 WeakPolarHBondContact O-CD 2.97Å; M72-R80 VanDerWaalsContact O-CG 3.25Å; M72-R80 WeakPolarHBondContact O-CG 3.32Å; Q74-R80 HydrophobicContact CB-CB 4.04Å; Q74-R80 HydrophobicContact CB-CG 4.42Å; Q74-R80 PolarHBondContact O-NE 3.1Å; Q74-R80 PolarHBondContact O-NH2 3.5Å; V75-R80 PolarHBondContact O-NH2 2.71Å; D76-R80 PolarHBondContact O-N 3.45Å; D76-R80 VanDerWaalsContact O-N 3.11Å; R80-T82 PolarHBondContact O-N 2.9Å
81A95.4Very high94Very high2 Ų265.1 Ų65.12%0.01733%0.33CS..PPolyproline II helixtrans-50.2135.5173.200000110.1V21 H71 M72 D85 V86V21-A81 HydrophobicContact CG1-CB 4.42Å; V21-A81 VanDerWaalsContact CG1-O 3.32Å; V21-A81 WeakPolarHBondContact CG1-O 3.4Å; H71-A81 HydrophobicContact CB-CB 4.25Å; H71-A81 PolarHBondContact O-N 2.69Å; M72-A81 HydrophobicContact CG-CB 4.22Å; A81-D85 HydrophobicContact CB-CB 4.21Å; A81-V86 HydrophobicContact CB-CG2 4.06Å
82T94.5Very high94Very high69 Ų6964.9 Ų64.942%0.42333%0.329SS..PPolyproline II helixtrans-84.4165.2163.368.80000109.4R80 K84 D85 V86R80-T82 PolarHBondContact O-N 2.9Å; T82-K84 PolarHBondContact O-N 3.11Å; T82-K84 PolarHBondContact OG1-N 3.08Å; T82-D85 WeakPolarHBondContact CB-OD2 3.3Å; T82-D85 WeakPolarHBondContact CG2-OD2 3.4Å; T82-D85 PolarHBondContact N-OD2 2.87Å; T82-D85 WeakPolarHBondContact O-CA 2.77Å; T82-D85 WeakPolarHBondContact O-CB 3.26Å; T82-D85 PolarHBondContact O-N 2.95Å; T82-D85 PolarHBondContact OG1-N 3.37Å; T82-D85 PolarHBondContact OG1-OD2 3.33Å; T82-V86 WeakPolarHBondContact O-CG2 3.11Å; T82-V86 PolarHBondContact O-N 2.83Å
83I93.1Very high93.8Very high84 Ų8469.1 Ų69.143%0.43135%0.347SS..Hα-helixtrans-57.8-34.3173-65.5-67.2000111.4V21 D85 V86 I87V21-I83 HydrophobicContact CG2-CD1 3.58Å; V21-I83 HydrophobicContact CG2-CG1 3.8Å; I83-D85 VanDerWaalsContact C-N 3.32Å; I83-D85 PolarHBondContact O-N 2.91Å; I83-V86 PolarHBondContact O-N 3.35Å; I83-I87 HydrophobicContact CG2-CD1 3.59Å; I83-I87 HydrophobicContact CG2-CG1 4.2Å; I83-I87 WeakPolarHBondContact O-CD1 3.28Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 2.86Å; I83-I87 PolarHBondContact O-N 2.99Å
84K91.4Very high93.6Very high173 Ų17373.7 Ų73.775%0.75237%0.37SS*.Hα-helixtrans-61.2-42.2173.8-65-174.1178-174.60111.5T82 A88T82-K84 PolarHBondContact O-N 3.11Å; T82-K84 PolarHBondContact OG1-N 3.08Å; K84-A88 WeakPolarHBondContact O-CB 3.33Å; K84-A88 PolarHBondContact O-N 2.78Å
85D95Very high93.4Very high69 Ų6977.9 Ų77.937%0.36940%0.395SS..Hα-helixtrans-66.4-38.2177-55.3-48.5000111.8A81 T82 I83 A88 H89A81-D85 HydrophobicContact CB-CB 4.21Å; T82-D85 WeakPolarHBondContact CB-OD2 3.3Å; T82-D85 WeakPolarHBondContact CG2-OD2 3.4Å; T82-D85 PolarHBondContact N-OD2 2.87Å; T82-D85 WeakPolarHBondContact O-CA 2.77Å; T82-D85 WeakPolarHBondContact O-CB 3.26Å; T82-D85 PolarHBondContact O-N 2.95Å; T82-D85 PolarHBondContact OG1-N 3.37Å; T82-D85 PolarHBondContact OG1-OD2 3.33Å; I83-D85 VanDerWaalsContact C-N 3.32Å; I83-D85 PolarHBondContact O-N 2.91Å; D85-A88 PolarHBondContact O-N 3.07Å; D85-H89 PolarHBondContact O-N 3.08Å; D85-H89 VanDerWaalsContact O-N 3.14Å
86V95.5Very high93.2Very high11 Ų1177.4 Ų77.47%0.06739%0.39CS..Hα-helixtrans-64.8-49.6176.91750000111V21 L68 M72 A81 T82 I83 A88 H89 F92V21-V86 HydrophobicContact CG1-CG2 4.43Å; L68-V86 HydrophobicContact CD1-CB 4.41Å; L68-V86 HydrophobicContact CD1-CG1 4.24Å; L68-V86 HydrophobicContact CD1-CG2 4.17Å; M72-V86 HydrophobicContact CE-CG2 4.21Å; M72-V86 HydrophobicContact CG-CG2 3.86Å; M72-V86 HydrophobicContact SD-CG2 4.09Å; A81-V86 HydrophobicContact CB-CG2 4.06Å; T82-V86 WeakPolarHBondContact O-CG2 3.11Å; T82-V86 PolarHBondContact O-N 2.83Å; I83-V86 PolarHBondContact O-N 3.35Å; V86-A88 VanDerWaalsContact C-N 3.26Å; V86-A88 PolarHBondContact O-N 3.48Å; V86-H89 VanDerWaalsContact O-CB 3.23Å; V86-H89 WeakPolarHBondContact O-CB 3.4Å; V86-H89 PolarHBondContact O-N 3.28Å; V86-H89 VanDerWaalsContact O-N 3.1Å; V86-F92 HydrophobicContact CG1-CD2 4.01Å; V86-F92 HydrophobicContact CG1-CE2 4.21Å; V86-F92 HydrophobicContact CG1-CG 4.3Å; V86-F92 VanDerWaalsContact O-CB 3.3Å; V86-F92 WeakPolarHBondContact O-CB 2.81Å
87I92.8Very high93.2Very high49 Ų4976.8 Ų76.825%0.25139%0.389SS..Hα-helixtrans-63.5-35.5178.5-63162.2000110.9I83 H89 F92 F101I83-I87 HydrophobicContact CG2-CD1 3.59Å; I83-I87 HydrophobicContact CG2-CG1 4.2Å; I83-I87 WeakPolarHBondContact O-CD1 3.28Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 2.86Å; I83-I87 PolarHBondContact O-N 2.99Å; I87-H89 PolarHBondContact O-N 2.9Å; I87-F92 HydrophobicContact CG1-CE1 4.33Å; I87-F101 HydrophobicContact CD1-CD1 3.35Å; I87-F101 HydrophobicContact CD1-CE1 3.34Å; I87-F101 HydrophobicContact CD1-CG 4.14Å; I87-F101 HydrophobicContact CD1-CZ 4.14Å; I87-F101 HydrophobicContact CG1-CD1 3.82Å; I87-F101 HydrophobicContact CG1-CE1 3.56Å; I87-F101 HydrophobicContact CG1-CE2 4.31Å; I87-F101 HydrophobicContact CG1-CG 4.28Å; I87-F101 HydrophobicContact CG1-CZ 3.82Å; I87-F101 HydrophobicContact CG2-CG 4.32Å
88A92.8Very high92.8Very high54 Ų5479.2 Ų79.245%0.44640%0.403SS..THydrogen-bonded Turntrans-75.4-10.2177.600000113.8K84 D85 V86 K93K84-A88 WeakPolarHBondContact O-CB 3.33Å; K84-A88 PolarHBondContact O-N 2.78Å; D85-A88 PolarHBondContact O-N 3.07Å; V86-A88 VanDerWaalsContact C-N 3.26Å; V86-A88 PolarHBondContact O-N 3.48Å; A88-K93 WeakPolarHBondContact O-CE 3.42Å; A88-K93 PolarHBondContact O-NZ 3.34Å
89H95.9Very high92.5Very high24 Ų2479.7 Ų79.711%0.11140%0.396CS..  trans-74.4135.7-173.9-167.8-80.3000112.4S64 N67 L68 D85 V86 I87 W91 F92 K93S64-H89 PolarHBondContact O-CE1 3.41Å; N67-H89 PolarHBondContact OD1-NE2 2.93Å; L68-H89 HydrophobicContact CD1-CB 3.93Å; D85-H89 PolarHBondContact O-N 3.08Å; D85-H89 VanDerWaalsContact O-N 3.14Å; V86-H89 VanDerWaalsContact O-CB 3.23Å; V86-H89 WeakPolarHBondContact O-CB 3.4Å; V86-H89 PolarHBondContact O-N 3.28Å; V86-H89 VanDerWaalsContact O-N 3.1Å; I87-H89 PolarHBondContact O-N 2.9Å; H89-W91 WeakPolarHBondContact ND1-CB 3.38Å; H89-W91 PolarHBondContact ND1-N 3.31Å; H89-W91 VanDerWaalsContact ND1-N 3.14Å; H89-W91 PolarHBondContact O-N 3.44Å; H89-F92 HydrophobicContact CB-CB 4.31Å; H89-F92 PolarHBondContact O-N 2.84Å; H89-K93 PolarHBondContact O-N 2.97Å; H89-K93 VanDerWaalsContact O-N 3.13Å
90E95Very high92.1Very high128 Ų12877.3 Ų77.360%0.59839%0.389SS*.Hα-helixtrans-57.3-43.8-175-63.5-56.7115.100113F92 K93 I94E90-F92 VanDerWaalsContact C-N 3.27Å; E90-F92 PolarHBondContact O-N 3.45Å; E90-K93 PolarHBondContact O-N 3.26Å; E90-K93 IonicContact OE1-NZ 3.7Å; E90-K93 PolarHBondContact OE1-NZ 2.96Å; E90-K93 VanDerWaalsContact OE1-NZ 3.11Å; E90-I94 WeakPolarHBondContact O-CG1 3.35Å
91W96.1Very high91.5Very high64 Ų6479.7 Ų79.724%0.24240%0.401CS..Hα-helixtrans-59.1-36.3175.2-168.576.9000113.7L28 L32 S64 A65 L68 H89L28-W91 HydrophobicContact CD1-CH2 3.77Å; L28-W91 HydrophobicContact CD1-CZ3 3.8Å; L28-W91 HydrophobicContact CD2-CZ3 4.27Å; L32-W91 HydrophobicContact CD2-CH2 4.23Å; L32-W91 HydrophobicContact CD2-CZ2 3.98Å; S64-W91 WeakPolarHBondContact OG-CB 3.48Å; A65-W91 HydrophobicContact CB-CD2 3.98Å; A65-W91 HydrophobicContact CB-CG 4.08Å; A65-W91 HydrophobicContact CB-CZ2 4.1Å; L68-W91 HydrophobicContact CD2-CE3 3.63Å; L68-W91 HydrophobicContact CD2-CZ3 4.21Å; H89-W91 WeakPolarHBondContact ND1-CB 3.38Å; H89-W91 PolarHBondContact ND1-N 3.31Å; H89-W91 VanDerWaalsContact ND1-N 3.14Å; H89-W91 PolarHBondContact O-N 3.44Å
92F95.3Very high90.1Very high54 Ų5481 Ų8124%0.23741%0.409CS..Hα-helixtrans-79.7-25.9-175.5-171.5-91.9000112.4L68 V86 I87 H89 E90 I94 L96 F101L68-F92 HydrophobicContact CD2-CB 4.26Å; V86-F92 HydrophobicContact CG1-CD2 4.01Å; V86-F92 HydrophobicContact CG1-CE2 4.21Å; V86-F92 HydrophobicContact CG1-CG 4.3Å; V86-F92 VanDerWaalsContact O-CB 3.3Å; V86-F92 WeakPolarHBondContact O-CB 2.81Å; I87-F92 HydrophobicContact CG1-CE1 4.33Å; H89-F92 HydrophobicContact CB-CB 4.31Å; H89-F92 PolarHBondContact O-N 2.84Å; E90-F92 VanDerWaalsContact C-N 3.27Å; E90-F92 PolarHBondContact O-N 3.45Å; F92-I94 VanDerWaalsContact C-N 3.33Å; F92-L96 HydrophobicContact CD1-CD1 4.31Å; F92-L96 HydrophobicContact CD1-CD2 4.08Å; F92-L96 HydrophobicContact CE1-CD1 3.77Å; F92-L96 HydrophobicContact CE1-CD2 3.97Å; F92-L96 HydrophobicContact CZ-CD1 4.28Å; F92-F101 HydrophobicContact CE1-CD2 4.18Å; F92-F101 AromaticContact CE1-CE2 3.37Å; F92-F101 HydrophobicContact CE1-CE2 3.37Å; F92-F101 AromaticContact CE1-CZ 3.84Å; F92-F101 HydrophobicContact CE1-CZ 3.84Å; F92-F101 AromaticContact CZ-CE2 3.55Å; F92-F101 HydrophobicContact CZ-CE2 3.55Å; F92-F101 AromaticContact CZ-CZ 3.76Å; F92-F101 HydrophobicContact CZ-CZ 3.76Å
93K92.8Very high88.7Confident97 Ų9780.4 Ų80.442%0.42241%0.406SS..Hα-helixtrans-75.3-18.3179.1-73.6171.2173.3159.40114.1A88 H89 E90 D95 L96A88-K93 WeakPolarHBondContact O-CE 3.42Å; A88-K93 PolarHBondContact O-NZ 3.34Å; H89-K93 PolarHBondContact O-N 2.97Å; H89-K93 VanDerWaalsContact O-N 3.13Å; E90-K93 PolarHBondContact O-N 3.26Å; E90-K93 IonicContact OE1-NZ 3.7Å; E90-K93 PolarHBondContact OE1-NZ 2.96Å; E90-K93 VanDerWaalsContact OE1-NZ 3.11Å; K93-D95 PolarHBondContact O-N 3.04Å; K93-L96 WeakPolarHBondContact O-CB 3.48Å; K93-L96 PolarHBondContact O-N 2.91Å
94I92.9Very high87.1Confident100 Ų10080 Ų8051%0.51341%0.409SS..THydrogen-bonded Turntrans-62.3122.4-178.3-59.7170.5000108.8E90 F92 L96E90-I94 WeakPolarHBondContact O-CG1 3.35Å; F92-I94 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 3.14Å
95D92Very high85.4Confident155 Ų15573.9 Ų73.983%0.82939%0.385SS*.THydrogen-bonded Turntrans51.925.9-179.4-58.4-38.6000114.6K93 P97K93-D95 PolarHBondContact O-N 3.04Å; D95-P97 WeakPolarHBondContact O-CD 3.38Å
96L89.2Confident83.3Confident49 Ų4976 Ų7626%0.25739%0.392SS..  trans-67.9115.3-177-178.764000110.7F92 K93 I94 T98 L100 F101F92-L96 HydrophobicContact CD1-CD1 4.31Å; F92-L96 HydrophobicContact CD1-CD2 4.08Å; F92-L96 HydrophobicContact CE1-CD1 3.77Å; F92-L96 HydrophobicContact CE1-CD2 3.97Å; F92-L96 HydrophobicContact CZ-CD1 4.28Å; K93-L96 WeakPolarHBondContact O-CB 3.48Å; K93-L96 PolarHBondContact O-N 2.91Å; I94-L96 PolarHBondContact O-N 3.14Å; L96-T98 PolarHBondContact O-N 3.38Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-F101 HydrophobicContact CD1-CD2 4.02Å; L96-F101 HydrophobicContact CD1-CE2 3.97Å; L96-F101 HydrophobicContact CD2-CD2 3.96Å; L96-F101 HydrophobicContact CD2-CE2 4.44Å; L96-F101 HydrophobicContact CG-CD2 4.35Å
97P89.2Confident81.1Confident50 Ų5081 Ų8133%0.32542%0.415SS..  trans-66.5131.1177.6-20.433.7000111.4D95 Y99 L100D95-P97 WeakPolarHBondContact O-CD 3.38Å; P97-Y99 HydrophobicContact CB-CD1 3.45Å; P97-Y99 VanDerWaalsContact CB-CD1 3.45Å; P97-Y99 HydrophobicContact CB-CE1 3.12Å; P97-Y99 HydrophobicContact CB-CG 4.38Å; P97-Y99 HydrophobicContact CG-CE1 3.89Å; P97-Y99 PolarHBondContact O-N 3.5Å; P97-Y99 VanDerWaalsContact O-N 3.13Å; P97-L100 HydrophobicContact CG-CD1 4.35Å; P97-L100 PolarHBondContact O-N 2.99Å; P97-L100 VanDerWaalsContact O-N 3.1Å
98T82.6Confident79.1Confident109 Ų10982.5 Ų82.567%0.66942%0.421SS*.G310 helixtrans-60.7-26.7-175.654.80000113.2L96 L100 F101 P102L96-T98 PolarHBondContact O-N 3.38Å; T98-L100 VanDerWaalsContact C-N 3.27Å; T98-L100 PolarHBondContact O-N 3.49Å; T98-F101 CarbonylContact O-C 3.21Å; T98-F101 PolarHBondContact O-N 2.87Å; T98-P102 WeakPolarHBondContact O-CA 3.33Å
99Y83.5Confident77Confident166 Ų16684.6 Ų84.665%0.65144%0.438SS*.G310 helixtrans-69-20.417972.5-98.9000114P97P97-Y99 HydrophobicContact CB-CD1 3.45Å; P97-Y99 VanDerWaalsContact CB-CD1 3.45Å; P97-Y99 HydrophobicContact CB-CE1 3.12Å; P97-Y99 HydrophobicContact CB-CG 4.38Å; P97-Y99 HydrophobicContact CG-CE1 3.89Å; P97-Y99 PolarHBondContact O-N 3.5Å; P97-Y99 VanDerWaalsContact O-N 3.13Å
100L84.1Confident75Confident87 Ų8788.8 Ų88.846%0.45547%0.47SS..G310 helixtrans-73.9-34.4179.1-70.4-179.7000112.1L96 P97 T98L96-L100 HydrophobicContact CD1-CD1 4.08Å; P97-L100 HydrophobicContact CG-CD1 4.35Å; P97-L100 PolarHBondContact O-N 2.99Å; P97-L100 VanDerWaalsContact O-N 3.1Å; T98-L100 VanDerWaalsContact C-N 3.27Å; T98-L100 PolarHBondContact O-N 3.49Å
101F81.7Confident73.6Confident79 Ų7988.6 Ų88.635%0.34647%0.472SS..SBendtrans-132.172.6175.8-58-79.3000107.4I87 F92 L96 T98I87-F101 HydrophobicContact CD1-CD1 3.35Å; I87-F101 HydrophobicContact CD1-CE1 3.34Å; I87-F101 HydrophobicContact CD1-CG 4.14Å; I87-F101 HydrophobicContact CD1-CZ 4.14Å; I87-F101 HydrophobicContact CG1-CD1 3.82Å; I87-F101 HydrophobicContact CG1-CE1 3.56Å; I87-F101 HydrophobicContact CG1-CE2 4.31Å; I87-F101 HydrophobicContact CG1-CG 4.28Å; I87-F101 HydrophobicContact CG1-CZ 3.82Å; I87-F101 HydrophobicContact CG2-CG 4.32Å; F92-F101 HydrophobicContact CE1-CD2 4.18Å; F92-F101 AromaticContact CE1-CE2 3.37Å; F92-F101 HydrophobicContact CE1-CE2 3.37Å; F92-F101 AromaticContact CE1-CZ 3.84Å; F92-F101 HydrophobicContact CE1-CZ 3.84Å; F92-F101 AromaticContact CZ-CE2 3.55Å; F92-F101 HydrophobicContact CZ-CE2 3.55Å; F92-F101 AromaticContact CZ-CZ 3.76Å; F92-F101 HydrophobicContact CZ-CZ 3.76Å; L96-F101 HydrophobicContact CD1-CD2 4.02Å; L96-F101 HydrophobicContact CD1-CE2 3.97Å; L96-F101 HydrophobicContact CD2-CD2 3.96Å; L96-F101 HydrophobicContact CD2-CE2 4.44Å; L96-F101 HydrophobicContact CG-CD2 4.35Å; T98-F101 CarbonylContact O-C 3.21Å; T98-F101 PolarHBondContact O-N 2.87Å
102P66.8Low72.5Confident29 Ų2988.8 Ų88.819%0.18848%0.48CS..  trans-58.2140.1-179.9-6.818.5000107.2T98 E106 Q107T98-P102 WeakPolarHBondContact O-CA 3.33Å; P102-E106 HydrophobicContact CB-CB 3.79Å; P102-Q107 HydrophobicContact CB-CG 3.89Å; P102-Q107 HydrophobicContact CG-CG 3.72Å
103P65.4Low71.7Confident57 Ų5787.4 Ų87.437%0.3748%0.475SS..  trans-51.2148.8167.223.3-30.8000107.6N105 E106P103-N105 HydrophobicContact CB-CB 4.45Å; P103-N105 PolarHBondContact O-N 2.63Å; P103-E106 HydrophobicContact CG-CG 4.16Å; P103-E106 PolarHBondContact O-N 3.49Å
104P59.7Low71.2Confident75 Ų7586.4 Ų86.449%0.48748%0.477SS..THydrogen-bonded Turntrans-48.3-25-178.5-27.833.7000113.5E106P104-E106 VanDerWaalsContact C-N 3.31Å; P104-E106 PolarHBondContact O-N 2.74Å
105N54.2Low70.8Confident46 Ų4686.5 Ų86.525%0.24648%0.479CS..THydrogen-bonded Turntrans-64-19176-70.6-2.4000116.3P103 R156 E160P103-N105 HydrophobicContact CB-CB 4.45Å; P103-N105 PolarHBondContact O-N 2.63Å; N105-R156 VanDerWaalsContact CB-NH2 3.31Å; N105-R156 PolarHBondContact ND2-NH2 3.2Å; N105-R156 PolarHBondContact O-NH1 3.49Å; N105-R156 PolarHBondContact OD1-NE 2.81Å; N105-R156 VanDerWaalsContact OD1-NE 3.12Å; N105-E160 PolarHBondContact ND2-OE1 2.68Å; N105-E160 PolarHBondContact ND2-OE2 3.46Å; N105-E160 PolarHBondContact OD1-OE1 3.45Å; N105-E160 PolarHBondContact OD1-OE2 3.12Å
106E52.5Low70.4Confident113 Ų11379.1 Ų79.153%0.52844%0.439SS..THydrogen-bonded Turntrans-114.4-16.9-176.4-71-179.6-175.600113.9P102 P103 P104 E108 A109P102-E106 HydrophobicContact CB-CB 3.79Å; P103-E106 HydrophobicContact CG-CG 4.16Å; P103-E106 PolarHBondContact O-N 3.49Å; P104-E106 VanDerWaalsContact C-N 3.31Å; P104-E106 PolarHBondContact O-N 2.74Å; E106-E108 VanDerWaalsContact C-N 3.26Å; E106-E108 PolarHBondContact O-N 2.78Å; E106-A109 WeakPolarHBondContact O-CB 3.12Å; E106-A109 PolarHBondContact O-N 2.77Å; E106-A109 VanDerWaalsContact O-N 3.14Å
107Q49.1Very low70.3Confident116 Ų11676.9 Ų76.954%0.54243%0.427SS..G310 helixtrans-63.6-26.1-174.2-79.2-178.7-28.200114.2P102P102-Q107 HydrophobicContact CB-CG 3.89Å; P102-Q107 HydrophobicContact CG-CG 3.72Å
108E49.7Very low70.2Confident80 Ų8080 Ų8037%0.37444%0.436SS..G310 helixtrans-84.9-10179.2-79.8169.4-179.500113.6E106 S110 I111E106-E108 VanDerWaalsContact C-N 3.26Å; E106-E108 PolarHBondContact O-N 2.78Å; E108-S110 VanDerWaalsContact C-N 3.25Å; E108-S110 PolarHBondContact O-N 3.46Å; E108-I111 VanDerWaalsContact O-O 3.08Å
109A49.2Very low70.4Confident98 Ų9877.6 Ų77.681%0.8142%0.417SS*.G310 helixtrans-72-18.2-17600000113.7E106E106-A109 WeakPolarHBondContact O-CB 3.12Å; E106-A109 PolarHBondContact O-N 2.77Å; E106-A109 VanDerWaalsContact O-N 3.14Å
110S54.4Low70.6Confident113 Ų11369.8 Ų69.879%0.7939%0.386SS*.SBendtrans-104.2-17.3-178.3174.30000114E108E108-S110 VanDerWaalsContact C-N 3.25Å; E108-S110 PolarHBondContact O-N 3.46Å
111I65.9Low70.9Confident124 Ų12466.8 Ų66.864%0.63637%0.372SS*.SBendtrans-122.9117-174.9-55.9174.9000106.4E108 D113E108-I111 VanDerWaalsContact O-O 3.08Å; I111-D113 PolarHBondContact O-N 2.67Å; I111-D113 VanDerWaalsContact O-N 3.11Å
112V72.6Confident71.2Confident67 Ų6768 Ų6841%0.40639%0.391SS..  trans-59.9117.2176.31800000108.4V114 V117 L135 Y148V112-V114 PolarHBondContact O-N 3.14Å; V112-V114 VanDerWaalsContact O-N 3.14Å; V112-V117 HydrophobicContact CG1-CG2 3.43Å; V112-V117 VanDerWaalsContact CG1-CG2 3.43Å; V112-L135 HydrophobicContact CG1-CD1 3.86Å; V112-L135 HydrophobicContact CG2-CD1 4.15Å; V112-Y148 WeakPolarHBondContact CA-OH 3.4Å; V112-Y148 HydrophobicContact CG1-CE2 4.21Å
113D77.5Confident72.1Confident26 Ų2675.1 Ų75.114%0.13941%0.414CS..  trans-70.9107.8176.5175.1-13.1000108.3I111 D115 A116 V117 Y148 I152 K155I111-D113 PolarHBondContact O-N 2.67Å; I111-D113 VanDerWaalsContact O-N 3.11Å; D113-D115 PolarHBondContact O-N 2.58Å; D113-D115 WeakPolarHBondContact OD1-CA 3.21Å; D113-D115 WeakPolarHBondContact OD1-CB 3.38Å; D113-D115 PolarHBondContact OD1-N 3.3Å; D113-A116 HydrophobicContact CB-CB 3.75Å; D113-A116 WeakPolarHBondContact O-CB 3.44Å; D113-A116 PolarHBondContact O-N 2.74Å; D113-A116 VanDerWaalsContact O-N 3.12Å; D113-A116 PolarHBondContact OD1-N 2.73Å; D113-V117 WeakPolarHBondContact O-CG2 3.48Å; D113-V117 PolarHBondContact O-N 3.28Å; D113-Y148 PolarHBondContact N-OH 3.42Å; D113-I152 HydrophobicContact CB-CD1 3.75Å; D113-K155 IonicContact OD1-NZ 2.81Å; D113-K155 PolarHBondContact OD1-NZ 3.39Å; D113-K155 IonicContact OD2-NZ 2.66Å; D113-K155 PolarHBondContact OD2-NZ 3.27Å
114V82.6Confident72.9Confident75 Ų7576.5 Ų76.546%0.45542%0.418SS..Hα-helixtrans-60.5-35-178.6-179.20000111.4V112 V117 K118V112-V114 PolarHBondContact O-N 3.14Å; V112-V114 VanDerWaalsContact O-N 3.14Å; V114-V117 PolarHBondContact O-N 2.78Å; V114-K118 HydrophobicContact CG1-CD 4.4Å; V114-K118 WeakPolarHBondContact O-CG 3.41Å; V114-K118 PolarHBondContact O-N 2.66Å
115D84.4Confident74.1Confident103 Ų10376.2 Ų76.255%0.55143%0.428SS*.Hα-helixtrans-73.1-35.6178.3-64-35.7000110.7D113 K118 E119D113-D115 PolarHBondContact O-N 2.58Å; D113-D115 WeakPolarHBondContact OD1-CA 3.21Å; D113-D115 WeakPolarHBondContact OD1-CB 3.38Å; D113-D115 PolarHBondContact OD1-N 3.3Å; D115-K118 PolarHBondContact O-N 2.81Å; D115-E119 VanDerWaalsContact O-CB 3.27Å; D115-E119 WeakPolarHBondContact O-CB 3.4Å; D115-E119 PolarHBondContact O-N 3.49Å
116A84.3Confident75.5Confident0 Ų075 Ų750%042%0.423CS..Hα-helixtrans-65.4-38.7172.100000111.8D113 E119 L120 Y148 I151 I152 K155D113-A116 HydrophobicContact CB-CB 3.75Å; D113-A116 WeakPolarHBondContact O-CB 3.44Å; D113-A116 PolarHBondContact O-N 2.74Å; D113-A116 VanDerWaalsContact O-N 3.12Å; D113-A116 PolarHBondContact OD1-N 2.73Å; A116-E119 PolarHBondContact O-N 3.27Å; A116-L120 WeakPolarHBondContact O-CB 3.41Å; A116-L120 PolarHBondContact O-N 2.85Å; A116-Y148 HydrophobicContact CB-CD2 4.39Å; A116-Y148 HydrophobicContact CB-CE2 3.97Å; A116-I151 HydrophobicContact CB-CG2 3.78Å; A116-I152 HydrophobicContact CB-CD1 3.59Å; A116-I152 HydrophobicContact CB-CG1 4.48Å; A116-K155 HydrophobicContact CB-CD 4.32Å; A116-K155 VanDerWaalsContact N-NZ 3.14Å
117V86.5Confident77.1Confident1 Ų175.7 Ų75.71%0.00643%0.426CS..Hα-helixtrans-65.7-45.4174.8176.80000111.2V112 D113 V114 E119 L120 C121 E128 V131 Y148V112-V117 HydrophobicContact CG1-CG2 3.43Å; V112-V117 VanDerWaalsContact CG1-CG2 3.43Å; D113-V117 WeakPolarHBondContact O-CG2 3.48Å; D113-V117 PolarHBondContact O-N 3.28Å; V114-V117 PolarHBondContact O-N 2.78Å; V117-E119 VanDerWaalsContact C-N 3.34Å; V117-E119 PolarHBondContact O-N 2.93Å; V117-L120 WeakPolarHBondContact O-CB 3.23Å; V117-L120 PolarHBondContact O-N 2.77Å; V117-C121 PolarHBondContact O-N 2.86Å; V117-C121 PolarHBondContact O-SG 2.78Å; V117-E128 HydrophobicContact CG1-CB 4.43Å; V117-E128 HydrophobicContact CG1-CG 3.79Å; V117-V131 HydrophobicContact CG1-CB 4.12Å; V117-V131 HydrophobicContact CG1-CG1 4.05Å; V117-V131 HydrophobicContact CG1-CG2 4.5Å; V117-V131 HydrophobicContact CG2-CG1 4.1Å; V117-Y148 HydrophobicContact CG2-CD2 4.15Å; V117-Y148 HydrophobicContact CG2-CE2 3.88Å
118K86.9Confident78.8Confident116 Ų11674.4 Ų74.450%0.50442%0.42SS..Hα-helixtrans-60.1-43.5175.1-74.8173-177.3169.90112.2V114 D115 L120 C121 S122V114-K118 HydrophobicContact CG1-CD 4.4Å; V114-K118 WeakPolarHBondContact O-CG 3.41Å; V114-K118 PolarHBondContact O-N 2.66Å; D115-K118 PolarHBondContact O-N 2.81Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 2.78Å; K118-C121 PolarHBondContact O-N 3.46Å; K118-S122 WeakPolarHBondContact O-CB 3.42Å; K118-S122 PolarHBondContact O-N 2.89Å
119E86.5Confident80.6Confident58 Ų5876.1 Ų76.127%0.27143%0.428SS..Hα-helixtrans-61.5-42.3175.8-176.7176.2177.500111.3D115 A116 V117 S122 R123 I151D115-E119 VanDerWaalsContact O-CB 3.27Å; D115-E119 WeakPolarHBondContact O-CB 3.4Å; D115-E119 PolarHBondContact O-N 3.49Å; A116-E119 PolarHBondContact O-N 3.27Å; V117-E119 VanDerWaalsContact C-N 3.34Å; V117-E119 PolarHBondContact O-N 2.93Å; E119-S122 PolarHBondContact O-N 2.81Å; E119-R123 WeakPolarHBondContact O-CG 3.35Å; E119-R123 PolarHBondContact O-N 3.12Å; E119-R123 IonicContact OE1-CZ 3.43Å; E119-R123 IonicContact OE1-NE 3.13Å; E119-R123 PolarHBondContact OE1-NE 2.87Å; E119-R123 IonicContact OE1-NH2 3.35Å; E119-R123 PolarHBondContact OE1-NH2 2.89Å; E119-I151 HydrophobicContact CG-CD1 4.36Å
120L88.9Confident82.3Confident2 Ų275.1 Ų75.11%0.0141%0.409CS..Hα-helixtrans-62.5-50176.6-174.463.7000111.9A116 V117 K118 S122 R123 I124 V131 A147 I151A116-L120 WeakPolarHBondContact O-CB 3.41Å; A116-L120 PolarHBondContact O-N 2.85Å; V117-L120 WeakPolarHBondContact O-CB 3.23Å; V117-L120 PolarHBondContact O-N 2.77Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 2.78Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 2.89Å; L120-R123 PolarHBondContact O-N 2.84Å; L120-R123 VanDerWaalsContact O-N 3.16Å; L120-I124 HydrophobicContact CD1-CD1 3.39Å; L120-I124 HydrophobicContact CD1-CG1 4Å; L120-I124 HydrophobicContact CG-CD1 4.3Å; L120-I124 PolarHBondContact O-N 2.83Å; L120-V131 HydrophobicContact CD2-CB 4.35Å; L120-V131 HydrophobicContact CD2-CG1 3.66Å; L120-V131 HydrophobicContact CD2-CG2 3.7Å; L120-V131 HydrophobicContact CG-CG2 4.31Å; L120-A147 HydrophobicContact CD1-CB 3.45Å; L120-A147 VanDerWaalsContact CD1-CB 3.45Å; L120-I151 HydrophobicContact CB-CD1 3.64Å; L120-I151 HydrophobicContact CD1-CD1 3.66Å; L120-I151 HydrophobicContact CG-CD1 4.24Å
121C89.7Confident83.8Confident24 Ų2469.8 Ų69.816%0.16237%0.372CS..Hα-helixtrans-59.7-39177.9-67.50000111.4V117 K118 G125 C126V117-C121 PolarHBondContact O-N 2.86Å; V117-C121 PolarHBondContact O-SG 2.78Å; K118-C121 PolarHBondContact O-N 3.46Å; C121-G125 VanDerWaalsContact O-CA 3.26Å; C121-G125 WeakPolarHBondContact O-CA 3.31Å; C121-G125 PolarHBondContact O-N 2.8Å; C121-C126 WeakPolarHBondContact CB-O 3.36Å; C121-C126 PolarHBondContact SG-O 3.07Å
122S88.7Confident84.7Confident106 Ų10666.1 Ų66.174%0.74136%0.355SS*.Hα-helixtrans-66.8-37.1176.3-175.90000113.1K118 E119 L120K118-S122 WeakPolarHBondContact O-CB 3.42Å; K118-S122 PolarHBondContact O-N 2.89Å; E119-S122 PolarHBondContact O-N 2.81Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 2.89Å
123R85.5Confident85.3Confident178 Ų17868.3 Ų68.367%0.67236%0.364SS*.Hα-helixtrans-82.2-36.4-177.8-70.7-176.3-174.1-147.65.7114E119 L120E119-R123 WeakPolarHBondContact O-CG 3.35Å; E119-R123 PolarHBondContact O-N 3.12Å; E119-R123 IonicContact OE1-CZ 3.43Å; E119-R123 IonicContact OE1-NE 3.13Å; E119-R123 PolarHBondContact OE1-NE 2.87Å; E119-R123 IonicContact OE1-NH2 3.35Å; E119-R123 PolarHBondContact OE1-NH2 2.89Å; L120-R123 PolarHBondContact O-N 2.84Å; L120-R123 VanDerWaalsContact O-N 3.16Å
124I83.2Confident85.7Confident86 Ų8667.3 Ų67.344%0.44136%0.359SS..Hα-helixtrans-100.1-20.8-174.9-58.8-171.9000112.2L120 L144 A147L120-I124 HydrophobicContact CD1-CD1 3.39Å; L120-I124 HydrophobicContact CD1-CG1 4Å; L120-I124 HydrophobicContact CG-CD1 4.3Å; L120-I124 PolarHBondContact O-N 2.83Å; I124-L144 HydrophobicContact CG2-CD2 4.46Å; I124-A147 HydrophobicContact CD1-CB 3.68Å
125G83.3Confident85.8Confident68 Ų6865.6 Ų65.670%0.70135%0.347SS*.  trans76.127.4-177.400000113.8C121C121-G125 VanDerWaalsContact O-CA 3.26Å; C121-G125 WeakPolarHBondContact O-CA 3.31Å; C121-G125 PolarHBondContact O-N 2.8Å
126C83.1Confident85.8Confident21 Ų2167.2 Ų67.214%0.14236%0.355CS..  trans-92162.4172.958.80000111.8C121 D130 V131 L144C121-C126 WeakPolarHBondContact CB-O 3.36Å; C121-C126 PolarHBondContact SG-O 3.07Å; C126-D130 HydrophobicContact CB-CB 4.44Å; C126-V131 VanDerWaalsContact SG-CG2 3.5Å; C126-L144 HydrophobicContact CB-CD2 4.31Å
127Q86.4Confident85.6Confident128 Ų12870.4 Ų70.460%0.59838%0.377SS*.  trans-79.6153.9171.3-62.4-62.6-22.200110.3E129 D130 V131Q127-E129 WeakPolarHBondContact CB-OE2 2.96Å; Q127-E129 PolarHBondContact O-N 3.34Å; Q127-D130 PolarHBondContact N-OD2 2.78Å; Q127-D130 WeakPolarHBondContact O-CB 3.45Å; Q127-D130 PolarHBondContact O-N 3.32Å; Q127-D130 VanDerWaalsContact O-N 3.08Å; Q127-V131 PolarHBondContact O-N 2.92Å
128E86.3Confident85Confident89 Ų8977.1 Ų77.142%0.41641%0.414SS..Hα-helixtrans-60-33.9176.5179167.6-17600111.3V117 D130 V131 T132V117-E128 HydrophobicContact CG1-CB 4.43Å; V117-E128 HydrophobicContact CG1-CG 3.79Å; E128-D130 VanDerWaalsContact C-N 3.32Å; E128-D130 PolarHBondContact O-N 3Å; E128-V131 PolarHBondContact O-N 3.16Å; E128-T132 HydrophobicContact CG-CG2 4.46Å; E128-T132 WeakPolarHBondContact O-CG2 3.33Å; E128-T132 PolarHBondContact O-N 3.11Å; E128-T132 PolarHBondContact O-OG1 2.95Å
129E85.8Confident84.9Confident116 Ų11675 Ų7554%0.54241%0.407SS..Hα-helixtrans-61.4-37.4174.5-65.980.7-17400112.6Q127 T132 L133Q127-E129 WeakPolarHBondContact CB-OE2 2.96Å; Q127-E129 PolarHBondContact O-N 3.34Å; E129-T132 VanDerWaalsContact CA-OG1 3.29Å; E129-T132 WeakPolarHBondContact CA-OG1 3.27Å; E129-T132 PolarHBondContact O-N 2.88Å; E129-T132 PolarHBondContact O-OG1 3.19Å; E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.17Å; E129-L133 WeakPolarHBondContact O-CG 3.46Å; E129-L133 PolarHBondContact O-N 3.05Å
130D86.7Confident84.5Confident77 Ų7776.4 Ų76.441%0.41242%0.422SS..Hα-helixtrans-68.1-40-179.4-61.7-40.5000111.1C126 Q127 E128 A134 L144C126-D130 HydrophobicContact CB-CB 4.44Å; Q127-D130 PolarHBondContact N-OD2 2.78Å; Q127-D130 WeakPolarHBondContact O-CB 3.45Å; Q127-D130 PolarHBondContact O-N 3.32Å; Q127-D130 VanDerWaalsContact O-N 3.08Å; E128-D130 VanDerWaalsContact C-N 3.32Å; E128-D130 PolarHBondContact O-N 3Å; D130-A134 VanDerWaalsContact O-CB 3.27Å; D130-A134 WeakPolarHBondContact O-CB 3.49Å; D130-A134 PolarHBondContact O-N 3.38Å; D130-L144 HydrophobicContact CB-CD1 3.93Å
131V85.6Confident84.2Confident0 Ų083.8 Ų83.80%046%0.456CS..Hα-helixtrans-67.5-46177.9-179.70000110.5V117 L120 C126 Q127 E128 L133 A134 L135V117-V131 HydrophobicContact CG1-CB 4.12Å; V117-V131 HydrophobicContact CG1-CG1 4.05Å; V117-V131 HydrophobicContact CG1-CG2 4.5Å; V117-V131 HydrophobicContact CG2-CG1 4.1Å; L120-V131 HydrophobicContact CD2-CB 4.35Å; L120-V131 HydrophobicContact CD2-CG1 3.66Å; L120-V131 HydrophobicContact CD2-CG2 3.7Å; L120-V131 HydrophobicContact CG-CG2 4.31Å; C126-V131 VanDerWaalsContact SG-CG2 3.5Å; Q127-V131 PolarHBondContact O-N 2.92Å; E128-V131 PolarHBondContact O-N 3.16Å; V131-L133 PolarHBondContact O-N 3.01Å; V131-A134 WeakPolarHBondContact O-CB 3.08Å; V131-A134 PolarHBondContact O-N 2.93Å; V131-L135 HydrophobicContact CG1-CD1 4Å; V131-L135 HydrophobicContact CG1-CG 4.41Å; V131-L135 VanDerWaalsContact O-CG 3.31Å; V131-L135 WeakPolarHBondContact O-CG 3.49Å; V131-L135 PolarHBondContact O-N 2.78Å
132T84.6Confident84.1Confident48 Ų4884.4 Ų84.429%0.29446%0.458SS..Hα-helixtrans-64.5-41.6179.652.60000111.3E128 E129 L135 L136E128-T132 HydrophobicContact CG-CG2 4.46Å; E128-T132 WeakPolarHBondContact O-CG2 3.33Å; E128-T132 PolarHBondContact O-N 3.11Å; E128-T132 PolarHBondContact O-OG1 2.95Å; E129-T132 VanDerWaalsContact CA-OG1 3.29Å; E129-T132 WeakPolarHBondContact CA-OG1 3.27Å; E129-T132 PolarHBondContact O-N 2.88Å; E129-T132 PolarHBondContact O-OG1 3.19Å; T132-L135 PolarHBondContact O-N 3.28Å; T132-L136 WeakPolarHBondContact O-CB 3.41Å; T132-L136 WeakPolarHBondContact O-CG 3.11Å; T132-L136 PolarHBondContact O-N 3.48Å
133L85.5Confident84.2Confident113 Ų11385.7 Ų85.759%0.59245%0.452SS*.Hα-helixtrans-63.1-40.4172.7-73.2171.4000112.3E129 V131 L136 S137E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.17Å; E129-L133 WeakPolarHBondContact O-CG 3.46Å; E129-L133 PolarHBondContact O-N 3.05Å; V131-L133 PolarHBondContact O-N 3.01Å; L133-L136 PolarHBondContact O-N 3.21Å; L133-S137 WeakPolarHBondContact O-CB 3.08Å; L133-S137 PolarHBondContact O-N 2.77Å
134A86Confident84.3Confident4 Ų477.8 Ų77.83%0.03342%0.423CS..Hα-helixtrans-63-44.4176.100000111.8D130 V131 L136 S137 N142 L144 V145D130-A134 VanDerWaalsContact O-CB 3.27Å; D130-A134 WeakPolarHBondContact O-CB 3.49Å; D130-A134 PolarHBondContact O-N 3.38Å; V131-A134 WeakPolarHBondContact O-CB 3.08Å; V131-A134 PolarHBondContact O-N 2.93Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 2.71Å; A134-S137 PolarHBondContact O-N 3.23Å; A134-S137 PolarHBondContact O-OG 3.28Å; A134-N142 WeakPolarHBondContact CB-ND2 3.13Å; A134-L144 HydrophobicContact CB-CB 3.74Å; A134-L144 HydrophobicContact CB-CD1 4.04Å; A134-L144 HydrophobicContact CB-CG 4.46Å; A134-V145 HydrophobicContact CB-CG2 4Å; A134-V145 VanDerWaalsContact O-CG2 3.24Å; A134-V145 WeakPolarHBondContact O-CG2 3.47Å
135L84Confident84.5Confident39 Ų3974.4 Ų74.420%0.20441%0.406CS..Hα-helixtrans-64.3-38176.1-68.2170.6000112V112 V131 T132 V145 Y148V112-L135 HydrophobicContact CG1-CD1 3.86Å; V112-L135 HydrophobicContact CG2-CD1 4.15Å; V131-L135 HydrophobicContact CG1-CD1 4Å; V131-L135 HydrophobicContact CG1-CG 4.41Å; V131-L135 VanDerWaalsContact O-CG 3.31Å; V131-L135 WeakPolarHBondContact O-CG 3.49Å; V131-L135 PolarHBondContact O-N 2.78Å; T132-L135 PolarHBondContact O-N 3.28Å; L135-V145 HydrophobicContact CD2-CG1 4.43Å; L135-V145 HydrophobicContact CD2-CG2 4.28Å; L135-Y148 HydrophobicContact CD1-CD1 4.34Å; L135-Y148 HydrophobicContact CD1-CD2 4.17Å; L135-Y148 HydrophobicContact CD1-CE1 4.37Å; L135-Y148 HydrophobicContact CD1-CE2 4.21Å; L135-Y148 HydrophobicContact CD1-CG 4.24Å; L135-Y148 HydrophobicContact CD2-CD1 3.52Å; L135-Y148 HydrophobicContact CD2-CE1 3.97Å; L135-Y148 HydrophobicContact CD2-CG 3.89Å
136L83.5Confident84.8Confident138 Ų13875.2 Ų75.272%0.72339%0.393SS*.Hα-helixtrans-71.4-29175.2-71.5168.1000113.1T132 L133 A134 N138T132-L136 WeakPolarHBondContact O-CB 3.41Å; T132-L136 WeakPolarHBondContact O-CG 3.11Å; T132-L136 PolarHBondContact O-N 3.48Å; L133-L136 PolarHBondContact O-N 3.21Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 2.71Å; L136-N138 PolarHBondContact O-N 3.49Å
137S81.4Confident85.1Confident66 Ų6675.3 Ų75.346%0.46240%0.396SS..Hα-helixtrans-64.9-18.6179.3760000113.2L133 A134 D139L133-S137 WeakPolarHBondContact O-CB 3.08Å; L133-S137 PolarHBondContact O-N 2.77Å; A134-S137 PolarHBondContact O-N 3.23Å; A134-S137 PolarHBondContact O-OG 3.28Å; S137-D139 PolarHBondContact O-N 3.49Å; S137-D139 VanDerWaalsContact O-N 3.09Å
138N74.1Confident85.2Confident143 Ų14369.9 Ų69.977%0.76537%0.37SS*.THydrogen-bonded Turntrans52.926.6-179.1-155.338.1000113.4L136 P140L136-N138 PolarHBondContact O-N 3.49Å; N138-P140 WeakPolarHBondContact O-CD 3.12Å
139D83.8Confident85.2Confident70 Ų7069.1 Ų69.137%0.37437%0.369SS..  trans-88109.1173.9-179.89.4000109.7S137 H141 N142S137-D139 PolarHBondContact O-N 3.49Å; S137-D139 VanDerWaalsContact O-N 3.09Å; D139-H141 PolarHBondContact O-N 2.85Å; D139-H141 VanDerWaalsContact O-N 3.16Å; D139-H141 WeakPolarHBondContact OD1-CB 3.27Å; D139-H141 IonicContact OD1-CD2 3.21Å; D139-H141 PolarHBondContact OD1-N 3.25Å; D139-N142 HydrophobicContact CB-CB 4.25Å; D139-N142 WeakPolarHBondContact O-CB 3.5Å; D139-N142 PolarHBondContact O-N 3.38Å
140P78.7Confident85.2Confident89 Ų8968.5 Ų68.558%0.57837%0.369SS*.THydrogen-bonded Turntrans-67-14.3-179.428.9-35.4000113.1N138N138-P140 WeakPolarHBondContact O-CD 3.12Å
141H82.8Confident85.2Confident156 Ų15665.5 Ų65.572%0.72235%0.352SS*.THydrogen-bonded Turntrans-92-3.7178.7-62.5-65000113.4D139 H143D139-H141 PolarHBondContact O-N 2.85Å; D139-H141 VanDerWaalsContact O-N 3.16Å; D139-H141 WeakPolarHBondContact OD1-CB 3.27Å; D139-H141 IonicContact OD1-CD2 3.21Å; D139-H141 PolarHBondContact OD1-N 3.25Å; H141-H143 PolarHBondContact O-N 2.72Å
142N87.2Confident85.1Confident37 Ų3766.3 Ų66.320%0.19836%0.357CS..  trans-68.9122.7178.2-172.5-40.2000110.2A134 D139 L144 V145 I146A134-N142 WeakPolarHBondContact CB-ND2 3.13Å; D139-N142 HydrophobicContact CB-CB 4.25Å; D139-N142 WeakPolarHBondContact O-CB 3.5Å; D139-N142 PolarHBondContact O-N 3.38Å; N142-L144 PolarHBondContact O-N 2.67Å; N142-L144 VanDerWaalsContact O-N 3.15Å; N142-L144 WeakPolarHBondContact OD1-CB 3.2Å; N142-L144 PolarHBondContact OD1-N 3.12Å; N142-V145 HydrophobicContact CB-CB 4.23Å; N142-V145 HydrophobicContact CB-CG2 3.87Å; N142-V145 WeakPolarHBondContact O-CB 2.94Å; N142-V145 PolarHBondContact O-N 3.48Å; N142-I146 WeakPolarHBondContact O-CG1 3.36Å; N142-I146 PolarHBondContact O-N 3.41Å
143H90.1Very high84.9Confident133 Ų13367.5 Ų67.562%0.61636%0.361SS*.Hα-helixtrans-55.1-32-179.169149.3000114.2H141 A147H141-H143 PolarHBondContact O-N 2.72Å; H143-A147 VanDerWaalsContact O-CB 3.26Å; H143-A147 WeakPolarHBondContact O-CB 3.26Å; H143-A147 PolarHBondContact O-N 2.87Å
144L89.4Confident84.7Confident13 Ų1366.6 Ų66.67%0.06836%0.357CS..Hα-helixtrans-72-39176.4-64.3-180000111.4I124 C126 D130 A134 N142 A147 Y148I124-L144 HydrophobicContact CG2-CD2 4.46Å; C126-L144 HydrophobicContact CB-CD2 4.31Å; D130-L144 HydrophobicContact CB-CD1 3.93Å; A134-L144 HydrophobicContact CB-CB 3.74Å; A134-L144 HydrophobicContact CB-CD1 4.04Å; A134-L144 HydrophobicContact CB-CG 4.46Å; N142-L144 PolarHBondContact O-N 2.67Å; N142-L144 VanDerWaalsContact O-N 3.15Å; N142-L144 WeakPolarHBondContact OD1-CB 3.2Å; N142-L144 PolarHBondContact OD1-N 3.12Å; L144-A147 PolarHBondContact O-N 3.08Å; L144-Y148 VanDerWaalsContact O-CB 3.28Å; L144-Y148 WeakPolarHBondContact O-CB 3.45Å; L144-Y148 PolarHBondContact O-N 3.01Å
145V87.1Confident84.3Confident15 Ų1569 Ų699%0.09137%0.367CS..Hα-helixtrans-65.8-44.4175.3177.70000110.3A134 L135 N142 A147 Y148 N149A134-V145 HydrophobicContact CB-CG2 4Å; A134-V145 VanDerWaalsContact O-CG2 3.24Å; A134-V145 WeakPolarHBondContact O-CG2 3.47Å; L135-V145 HydrophobicContact CD2-CG1 4.43Å; L135-V145 HydrophobicContact CD2-CG2 4.28Å; N142-V145 HydrophobicContact CB-CB 4.23Å; N142-V145 HydrophobicContact CB-CG2 3.87Å; N142-V145 WeakPolarHBondContact O-CB 2.94Å; N142-V145 PolarHBondContact O-N 3.48Å; V145-A147 PolarHBondContact O-N 3.04Å; V145-Y148 PolarHBondContact O-N 3.13Å; V145-N149 WeakPolarHBondContact O-CB 3.49Å; V145-N149 VanDerWaalsContact O-CG 3.25Å; V145-N149 PolarHBondContact O-N 2.87Å; V145-N149 PolarHBondContact O-ND2 3.45Å
146I88.1Confident83.5Confident84 Ų8471.2 Ų71.243%0.43137%0.372SS..Hα-helixtrans-60.4-46.9176.6-64.4168.3000110.3N142 N149 L150N142-I146 WeakPolarHBondContact O-CG1 3.36Å; N142-I146 PolarHBondContact O-N 3.41Å; I146-N149 PolarHBondContact O-N 3.35Å; I146-L150 WeakPolarHBondContact O-CB 3.26Å; I146-L150 PolarHBondContact O-N 3.44Å
147A89.7Confident82.8Confident23 Ų2370.5 Ų70.519%0.1936%0.364CS..Hα-helixtrans-67.7-39.1-179.700000112.5L120 I124 H143 L144 V145 L150 I151L120-A147 HydrophobicContact CD1-CB 3.45Å; L120-A147 VanDerWaalsContact CD1-CB 3.45Å; I124-A147 HydrophobicContact CD1-CB 3.68Å; H143-A147 VanDerWaalsContact O-CB 3.26Å; H143-A147 WeakPolarHBondContact O-CB 3.26Å; H143-A147 PolarHBondContact O-N 2.87Å; L144-A147 PolarHBondContact O-N 3.08Å; V145-A147 PolarHBondContact O-N 3.04Å; A147-L150 PolarHBondContact O-N 2.96Å; A147-I151 WeakPolarHBondContact O-CG1 3.43Å; A147-I151 PolarHBondContact O-N 2.92Å
148Y88.4Confident82.2Confident14 Ų1470.3 Ų70.36%0.05537%0.366CS..Hα-helixtrans-58.2-52.8171.1174.8-96000110.9V112 D113 A116 V117 L135 L144 V145 L150 I151 I152V112-Y148 WeakPolarHBondContact CA-OH 3.4Å; V112-Y148 HydrophobicContact CG1-CE2 4.21Å; D113-Y148 PolarHBondContact N-OH 3.42Å; A116-Y148 HydrophobicContact CB-CD2 4.39Å; A116-Y148 HydrophobicContact CB-CE2 3.97Å; V117-Y148 HydrophobicContact CG2-CD2 4.15Å; V117-Y148 HydrophobicContact CG2-CE2 3.88Å; L135-Y148 HydrophobicContact CD1-CD1 4.34Å; L135-Y148 HydrophobicContact CD1-CD2 4.17Å; L135-Y148 HydrophobicContact CD1-CE1 4.37Å; L135-Y148 HydrophobicContact CD1-CE2 4.21Å; L135-Y148 HydrophobicContact CD1-CG 4.24Å; L135-Y148 HydrophobicContact CD2-CD1 3.52Å; L135-Y148 HydrophobicContact CD2-CE1 3.97Å; L135-Y148 HydrophobicContact CD2-CG 3.89Å; L144-Y148 VanDerWaalsContact O-CB 3.28Å; L144-Y148 WeakPolarHBondContact O-CB 3.45Å; L144-Y148 PolarHBondContact O-N 3.01Å; V145-Y148 PolarHBondContact O-N 3.13Å; Y148-L150 PolarHBondContact O-N 3.48Å; Y148-I151 WeakPolarHBondContact O-CB 3.35Å; Y148-I151 PolarHBondContact O-N 3.4Å; Y148-I152 HydrophobicContact CD1-CG1 4Å; Y148-I152 HydrophobicContact CD2-CG1 4.48Å; Y148-I152 HydrophobicContact CE1-CD1 4.19Å; Y148-I152 HydrophobicContact CE1-CG1 3.56Å; Y148-I152 HydrophobicContact CE2-CD1 4.06Å; Y148-I152 HydrophobicContact CE2-CG1 4.09Å; Y148-I152 HydrophobicContact CG-CG1 4.44Å; Y148-I152 WeakPolarHBondContact O-CG1 3.25Å; Y148-I152 PolarHBondContact O-N 3Å
149N86.2Confident81.8Confident74 Ų7466.1 Ų66.140%0.39635%0.348SS..Hα-helixtrans-59.3-34.7178.5-71.6-21.8000111.8V145 I146 I152 D153V145-N149 WeakPolarHBondContact O-CB 3.49Å; V145-N149 VanDerWaalsContact O-CG 3.25Å; V145-N149 PolarHBondContact O-N 2.87Å; V145-N149 PolarHBondContact O-ND2 3.45Å; I146-N149 PolarHBondContact O-N 3.35Å; N149-I152 PolarHBondContact O-N 3.04Å; N149-D153 VanDerWaalsContact O-CB 3.25Å; N149-D153 WeakPolarHBondContact O-CB 3.32Å; N149-D153 PolarHBondContact O-N 2.91Å
150L87.5Confident80.8Confident103 Ų10365.8 Ų65.854%0.53934%0.344SS..Hα-helixtrans-71.7-31176.9-158.4127.4000113I146 A147 Y148 N154I146-L150 WeakPolarHBondContact O-CB 3.26Å; I146-L150 PolarHBondContact O-N 3.44Å; A147-L150 PolarHBondContact O-N 2.96Å; Y148-L150 PolarHBondContact O-N 3.48Å; L150-N154 VanDerWaalsContact O-CB 3.31Å; L150-N154 WeakPolarHBondContact O-CB 3.42Å; L150-N154 PolarHBondContact O-N 3.44Å; L150-N154 PolarHBondContact O-ND2 3.41Å; L150-N154 VanDerWaalsContact O-ND2 3.11Å
151I85.4Confident79.9Confident13 Ų1366 Ų667%0.06734%0.343CS..Hα-helixtrans-70.7-46170.9-69.3169.3000109.8A116 E119 L120 A147 Y148 D153 N154 K155A116-I151 HydrophobicContact CB-CG2 3.78Å; E119-I151 HydrophobicContact CG-CD1 4.36Å; L120-I151 HydrophobicContact CB-CD1 3.64Å; L120-I151 HydrophobicContact CD1-CD1 3.66Å; L120-I151 HydrophobicContact CG-CD1 4.24Å; A147-I151 WeakPolarHBondContact O-CG1 3.43Å; A147-I151 PolarHBondContact O-N 2.92Å; Y148-I151 WeakPolarHBondContact O-CB 3.35Å; Y148-I151 PolarHBondContact O-N 3.4Å; I151-D153 VanDerWaalsContact C-N 3.34Å; I151-D153 PolarHBondContact O-N 2.91Å; I151-N154 PolarHBondContact O-N 3.01Å; I151-K155 HydrophobicContact CG2-CD 4.17Å; I151-K155 HydrophobicContact CG2-CG 4.41Å; I151-K155 WeakPolarHBondContact O-CB 3.21Å; I151-K155 WeakPolarHBondContact O-CG 3.5Å; I151-K155 PolarHBondContact O-N 2.87Å
152I83.3Confident78.6Confident18 Ų1860.3 Ų60.39%0.09232%0.324CS..Hα-helixtrans-59.5-46.3175.3-62.9-60.7000110.4D113 A116 Y148 N149 N154 K155 R156D113-I152 HydrophobicContact CB-CD1 3.75Å; A116-I152 HydrophobicContact CB-CD1 3.59Å; A116-I152 HydrophobicContact CB-CG1 4.48Å; Y148-I152 HydrophobicContact CD1-CG1 4Å; Y148-I152 HydrophobicContact CD2-CG1 4.48Å; Y148-I152 HydrophobicContact CE1-CD1 4.19Å; Y148-I152 HydrophobicContact CE1-CG1 3.56Å; Y148-I152 HydrophobicContact CE2-CD1 4.06Å; Y148-I152 HydrophobicContact CE2-CG1 4.09Å; Y148-I152 HydrophobicContact CG-CG1 4.44Å; Y148-I152 WeakPolarHBondContact O-CG1 3.25Å; Y148-I152 PolarHBondContact O-N 3Å; N149-I152 PolarHBondContact O-N 3.04Å; I152-N154 PolarHBondContact O-N 3.23Å; I152-K155 CarbonylContact O-C 3.5Å; I152-K155 PolarHBondContact O-N 2.89Å; I152-R156 WeakPolarHBondContact O-CB 3.39Å; I152-R156 PolarHBondContact O-N 3.36Å
153D80.8Confident77.2Confident72 Ų7263.2 Ų63.239%0.38534%0.335SS..Hα-helixtrans-62.9-44.2176.9-77.1-16.7000111N149 I151 R156 F157N149-D153 VanDerWaalsContact O-CB 3.25Å; N149-D153 WeakPolarHBondContact O-CB 3.32Å; N149-D153 PolarHBondContact O-N 2.91Å; I151-D153 VanDerWaalsContact C-N 3.34Å; I151-D153 PolarHBondContact O-N 2.91Å; D153-R156 CarbonylContact O-C 3.58Å; D153-R156 PolarHBondContact O-N 3.49Å; D153-F157 HydrophobicContact CB-CD2 4.3Å; D153-F157 HydrophobicContact CB-CE2 4.12Å; D153-F157 WeakPolarHBondContact O-CB 3.33Å; D153-F157 WeakPolarHBondContact O-CD2 3.42Å; D153-F157 WeakPolarHBondContact O-CG 3.49Å; D153-F157 PolarHBondContact O-N 3.02Å
154N81.5Confident75.6Confident95 Ų9563.4 Ų63.451%0.50834%0.337SS..Hα-helixtrans-64.5-40.7175.4-88.4-46.4000112.6L150 I151 I152 R156 F157 A158L150-N154 VanDerWaalsContact O-CB 3.31Å; L150-N154 WeakPolarHBondContact O-CB 3.42Å; L150-N154 PolarHBondContact O-N 3.44Å; L150-N154 PolarHBondContact O-ND2 3.41Å; L150-N154 VanDerWaalsContact O-ND2 3.11Å; I151-N154 PolarHBondContact O-N 3.01Å; I152-N154 PolarHBondContact O-N 3.23Å; N154-R156 VanDerWaalsContact C-N 3.29Å; N154-F157 PolarHBondContact O-N 3.3Å; N154-A158 WeakPolarHBondContact O-CB 3.34Å; N154-A158 PolarHBondContact O-N 2.76Å
155K76.8Confident73.8Confident54 Ų5464.7 Ų64.724%0.23535%0.35CS..Hα-helixtrans-62.5-39.4173.4-82.6-178.7156.1-171.10110.7D113 A116 I151 I152 A158 S159D113-K155 IonicContact OD1-NZ 2.81Å; D113-K155 PolarHBondContact OD1-NZ 3.39Å; D113-K155 IonicContact OD2-NZ 2.66Å; D113-K155 PolarHBondContact OD2-NZ 3.27Å; A116-K155 HydrophobicContact CB-CD 4.32Å; A116-K155 VanDerWaalsContact N-NZ 3.14Å; I151-K155 HydrophobicContact CG2-CD 4.17Å; I151-K155 HydrophobicContact CG2-CG 4.41Å; I151-K155 WeakPolarHBondContact O-CB 3.21Å; I151-K155 WeakPolarHBondContact O-CG 3.5Å; I151-K155 PolarHBondContact O-N 2.87Å; I152-K155 CarbonylContact O-C 3.5Å; I152-K155 PolarHBondContact O-N 2.89Å; K155-A158 CarbonylContact O-C 3.54Å; K155-A158 PolarHBondContact O-N 2.9Å; K155-S159 WeakPolarHBondContact O-CA 3.37Å; K155-S159 WeakPolarHBondContact O-CB 3.21Å; K155-S159 PolarHBondContact O-N 2.74Å
156R67.8Low72Confident86 Ų8667.5 Ų67.533%0.32536%0.364SS..Hα-helixtrans-69.2-47176.2179.8180162.1-170.4-8.5111.5N105 I152 D153 N154 A158 S159 E160N105-R156 VanDerWaalsContact CB-NH2 3.31Å; N105-R156 PolarHBondContact ND2-NH2 3.2Å; N105-R156 PolarHBondContact O-NH1 3.49Å; N105-R156 PolarHBondContact OD1-NE 2.81Å; N105-R156 VanDerWaalsContact OD1-NE 3.12Å; I152-R156 WeakPolarHBondContact O-CB 3.39Å; I152-R156 PolarHBondContact O-N 3.36Å; D153-R156 CarbonylContact O-C 3.58Å; D153-R156 PolarHBondContact O-N 3.49Å; N154-R156 VanDerWaalsContact C-N 3.29Å; R156-A158 VanDerWaalsContact C-N 3.29Å; R156-A158 PolarHBondContact O-N 3.44Å; R156-S159 CarbonylContact O-C 3.47Å; R156-S159 PolarHBondContact O-N 3.44Å; R156-S159 VanDerWaalsContact O-N 3.12Å; R156-E160 IonicContact NE-OE2 2.7Å; R156-E160 IonicContact NH2-OE2 3.83Å; R156-E160 WeakPolarHBondContact O-CA 3.21Å; R156-E160 WeakPolarHBondContact O-CB 3.32Å; R156-E160 PolarHBondContact O-N 2.88Å
157F69.8Low70.4Confident123 Ų12368.5 Ų68.554%0.53937%0.37SS..Hα-helixtrans-62.5-41.1174.2-75.3-62.4000110.5D153 N154 S159 T161D153-F157 HydrophobicContact CB-CD2 4.3Å; D153-F157 HydrophobicContact CB-CE2 4.12Å; D153-F157 WeakPolarHBondContact O-CB 3.33Å; D153-F157 WeakPolarHBondContact O-CD2 3.42Å; D153-F157 WeakPolarHBondContact O-CG 3.49Å; D153-F157 PolarHBondContact O-N 3.02Å; N154-F157 PolarHBondContact O-N 3.3Å; F157-S159 VanDerWaalsContact C-N 3.34Å; F157-T161 WeakPolarHBondContact O-CA 3.49Å; F157-T161 WeakPolarHBondContact O-CB 3.45Å; F157-T161 PolarHBondContact O-N 2.96Å; F157-T161 PolarHBondContact O-OG1 2.9Å
158A68.1Low68.9Low62 Ų6276 Ų7651%0.51240%0.402SS..Hα-helixtrans-62.4-42.2172.800000110.6N154 K155 R156 A162N154-A158 WeakPolarHBondContact O-CB 3.34Å; N154-A158 PolarHBondContact O-N 2.76Å; K155-A158 CarbonylContact O-C 3.54Å; K155-A158 PolarHBondContact O-N 2.9Å; R156-A158 VanDerWaalsContact C-N 3.29Å; R156-A158 PolarHBondContact O-N 3.44Å; A158-A162 VanDerWaalsContact O-CA 3.26Å; A158-A162 WeakPolarHBondContact O-CA 3.43Å; A158-A162 WeakPolarHBondContact O-CB 3.39Å; A158-A162 PolarHBondContact O-N 3.49Å
159S65.6Low67Low55 Ų5582.9 Ų82.939%0.38543%0.432SS..Hα-helixtrans-75.6-35.4-178.7-175.70000113.3K155 R156 F157 A162 K163K155-S159 WeakPolarHBondContact O-CA 3.37Å; K155-S159 WeakPolarHBondContact O-CB 3.21Å; K155-S159 PolarHBondContact O-N 2.74Å; R156-S159 CarbonylContact O-C 3.47Å; R156-S159 PolarHBondContact O-N 3.44Å; R156-S159 VanDerWaalsContact O-N 3.12Å; F157-S159 VanDerWaalsContact C-N 3.34Å; S159-A162 CarbonylContact O-C 3.51Å; S159-K163 WeakPolarHBondContact O-CA 3.39Å; S159-K163 WeakPolarHBondContact O-CB 3.46Å; S159-K163 WeakPolarHBondContact O-CG 3.22Å; S159-K163 PolarHBondContact O-N 2.94Å
160E62.1Low64.9Low63 Ų6386.6 Ų86.629%0.29444%0.442SS..Hα-helixtrans-82.9-43.6-179.4-167.1166.6-15700109.9N105 R156 A162 K163 M164N105-E160 PolarHBondContact ND2-OE1 2.68Å; N105-E160 PolarHBondContact ND2-OE2 3.46Å; N105-E160 PolarHBondContact OD1-OE1 3.45Å; N105-E160 PolarHBondContact OD1-OE2 3.12Å; R156-E160 IonicContact NE-OE2 2.7Å; R156-E160 IonicContact NH2-OE2 3.83Å; R156-E160 WeakPolarHBondContact O-CA 3.21Å; R156-E160 WeakPolarHBondContact O-CB 3.32Å; R156-E160 PolarHBondContact O-N 2.88Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-K163 PolarHBondContact O-N 3.4Å; E160-K163 VanDerWaalsContact O-N 3.14Å; E160-M164 HydrophobicContact CG-SD 4.49Å; E160-M164 WeakPolarHBondContact O-CB 3.45Å; E160-M164 VanDerWaalsContact O-CG 3.3Å; E160-M164 WeakPolarHBondContact O-CG 3.49Å; E160-M164 PolarHBondContact O-N 2.96Å
161T60.2Low63.2Low92 Ų9285 Ų8556%0.56444%0.436SS*.Hα-helixtrans-62.7-43.4167-51.90000109.6F157 K163 A165F157-T161 WeakPolarHBondContact O-CA 3.49Å; F157-T161 WeakPolarHBondContact O-CB 3.45Å; F157-T161 PolarHBondContact O-N 2.96Å; F157-T161 PolarHBondContact O-OG1 2.9Å; T161-K163 VanDerWaalsContact C-N 3.31Å; T161-K163 PolarHBondContact O-N 2.95Å; T161-A165 WeakPolarHBondContact O-CA 3.38Å; T161-A165 WeakPolarHBondContact O-CB 3.5Å; T161-A165 PolarHBondContact O-N 2.96Å
162A54.9Low61.9Low38 Ų3889 Ų8931%0.31446%0.463SS..Hα-helixtrans-69.3-25.217400000111.8A158 S159 E160 L166A158-A162 VanDerWaalsContact O-CA 3.26Å; A158-A162 WeakPolarHBondContact O-CA 3.43Å; A158-A162 WeakPolarHBondContact O-CB 3.39Å; A158-A162 PolarHBondContact O-N 3.49Å; S159-A162 CarbonylContact O-C 3.51Å; E160-A162 VanDerWaalsContact C-N 3.32Å; A162-L166 HydrophobicContact CB-CD1 3.86Å; A162-L166 WeakPolarHBondContact O-CA 3.47Å; A162-L166 WeakPolarHBondContact O-CB 3.28Å; A162-L166 WeakPolarHBondContact O-CD1 3.47Å; A162-L166 VanDerWaalsContact O-CG 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.49Å; A162-L166 PolarHBondContact O-N 3.47Å
163K57.8Low60.7Low98 Ų9894.8 Ų94.843%0.42649%0.494SS..Hα-helixtrans-82.3-39.7176.1-87.3174-178.2174.30112.3S159 E160 T161 L166 D167S159-K163 WeakPolarHBondContact O-CA 3.39Å; S159-K163 WeakPolarHBondContact O-CB 3.46Å; S159-K163 WeakPolarHBondContact O-CG 3.22Å; S159-K163 PolarHBondContact O-N 2.94Å; E160-K163 PolarHBondContact O-N 3.4Å; E160-K163 VanDerWaalsContact O-N 3.14Å; T161-K163 VanDerWaalsContact C-N 3.31Å; T161-K163 PolarHBondContact O-N 2.95Å; K163-L166 PolarHBondContact O-N 3.44Å; K163-D167 WeakPolarHBondContact O-CB 3.3Å; K163-D167 PolarHBondContact O-N 3.12Å
164M57.1Low59.5Low136 Ų13698.4 Ų98.467%0.6751%0.511SS*.Hα-helixtrans-68.5-44.8173.4-65.2-179101.400109.7E160 E168E160-M164 HydrophobicContact CG-SD 4.49Å; E160-M164 WeakPolarHBondContact O-CB 3.45Å; E160-M164 VanDerWaalsContact O-CG 3.3Å; E160-M164 WeakPolarHBondContact O-CG 3.49Å; E160-M164 PolarHBondContact O-N 2.96Å; M164-E168 VanDerWaalsContact O-CB 3.27Å; M164-E168 WeakPolarHBondContact O-CB 3.23Å; M164-E168 PolarHBondContact O-N 2.71Å; M164-E168 VanDerWaalsContact O-N 3.1Å
165A52.3Low58.2Low41 Ų4199 Ų9934%0.33952%0.518SS..Hα-helixtrans-66.6-36168.100000111.2T161 F169T161-A165 WeakPolarHBondContact O-CA 3.38Å; T161-A165 WeakPolarHBondContact O-CB 3.5Å; T161-A165 PolarHBondContact O-N 2.96Å; A165-F169 VanDerWaalsContact O-CA 3.24Å; A165-F169 WeakPolarHBondContact O-CA 3.44Å; A165-F169 WeakPolarHBondContact O-CB 3.46Å; A165-F169 PolarHBondContact O-N 2.83Å
166L48.4Very low57Low73 Ų73102 Ų10238%0.38254%0.543SS..Iπ-helixtrans-67.8-46.1178.9-103.583.1000111.2A162 K163 E168 Y170 T171A162-L166 HydrophobicContact CB-CD1 3.86Å; A162-L166 WeakPolarHBondContact O-CA 3.47Å; A162-L166 WeakPolarHBondContact O-CB 3.28Å; A162-L166 WeakPolarHBondContact O-CD1 3.47Å; A162-L166 VanDerWaalsContact O-CG 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.49Å; A162-L166 PolarHBondContact O-N 3.47Å; K163-L166 PolarHBondContact O-N 3.44Å; L166-E168 VanDerWaalsContact C-N 3.33Å; L166-E168 PolarHBondContact O-N 3.37Å; L166-Y170 HydrophobicContact CB-CD2 4.14Å; L166-Y170 HydrophobicContact CB-CG 4.35Å; L166-Y170 HydrophobicContact CD1-CD2 3.86Å; L166-Y170 HydrophobicContact CD1-CE2 3.94Å; L166-Y170 HydrophobicContact CD1-CG 4.21Å; L166-Y170 HydrophobicContact CG-CD1 4.34Å; L166-Y170 HydrophobicContact CG-CD2 3.63Å; L166-Y170 HydrophobicContact CG-CE2 4.24Å; L166-Y170 HydrophobicContact CG-CG 3.66Å; L166-Y170 CarbonylContact O-C 3.35Å; L166-Y170 WeakPolarHBondContact O-CA 3.32Å; L166-Y170 WeakPolarHBondContact O-CB 3.27Å; L166-Y170 PolarHBondContact O-N 2.77Å; L166-T171 PolarHBondContact O-N 3.39Å
167D55.5Low55.7Low105 Ų105101.2 Ų101.256%0.56156%0.562SS**Iπ-helixtrans-69.7-37.7-177.3-78.8-8.2000109.9K163 T171K163-D167 WeakPolarHBondContact O-CB 3.3Å; K163-D167 PolarHBondContact O-N 3.12Å; D167-T171 WeakPolarHBondContact CA-OG1 3.16Å; D167-T171 PolarHBondContact O-OG1 2.8Å
168E58.5Low54.5Low181 Ų181100 Ų10085%0.84657%0.569SS**Iπ-helixtrans-82-33.6179-162.9170-171.300114.1M164 L166M164-E168 VanDerWaalsContact O-CB 3.27Å; M164-E168 WeakPolarHBondContact O-CB 3.23Å; M164-E168 PolarHBondContact O-N 2.71Å; M164-E168 VanDerWaalsContact O-N 3.1Å; L166-E168 VanDerWaalsContact C-N 3.33Å; L166-E168 PolarHBondContact O-N 3.37Å
169F47.9Very low53.6Low158 Ų158102.4 Ų102.469%0.69359%0.588SS**Iπ-helixtrans-103.3-37-176.6-172.3-90000113.7A165A165-F169 VanDerWaalsContact O-CA 3.24Å; A165-F169 WeakPolarHBondContact O-CA 3.44Å; A165-F169 WeakPolarHBondContact O-CB 3.46Å; A165-F169 PolarHBondContact O-N 2.83Å
170Y42.2Very low52.8Low152 Ų152106.2 Ų106.260%0.59660%0.604SS**Iπ-helixtrans-101.3-21.5-172.4-69.1-105.2000114.6L166L166-Y170 HydrophobicContact CB-CD2 4.14Å; L166-Y170 HydrophobicContact CB-CG 4.35Å; L166-Y170 HydrophobicContact CD1-CD2 3.86Å; L166-Y170 HydrophobicContact CD1-CE2 3.94Å; L166-Y170 HydrophobicContact CD1-CG 4.21Å; L166-Y170 HydrophobicContact CG-CD1 4.34Å; L166-Y170 HydrophobicContact CG-CD2 3.63Å; L166-Y170 HydrophobicContact CG-CE2 4.24Å; L166-Y170 HydrophobicContact CG-CG 3.66Å; L166-Y170 CarbonylContact O-C 3.35Å; L166-Y170 WeakPolarHBondContact O-CA 3.32Å; L166-Y170 WeakPolarHBondContact O-CB 3.27Å; L166-Y170 PolarHBondContact O-N 2.77Å
171T51.6Low52.1Low69 Ų69110.9 Ų110.942%0.42363%0.631SS.*SBendtrans-101.8118170.456.70000111.5L166 D167 N173L166-T171 PolarHBondContact O-N 3.39Å; D167-T171 WeakPolarHBondContact CA-OG1 3.16Å; D167-T171 PolarHBondContact O-OG1 2.8Å; T171-N173 PolarHBondContact O-N 2.99Å; T171-N173 VanDerWaalsContact O-N 3.08Å
172P56.9Low51.8Low97 Ų97114.8 Ų114.863%0.6364%0.643SS**  trans-64.5118.2172.316.5-16.9000108.4M174P172-M174 HydrophobicContact CB-CE 3.55Å; P172-M174 HydrophobicContact CG-CE 3.58Å; P172-M174 VanDerWaalsContact O-CE 3.22Å; P172-M174 WeakPolarHBondContact O-CE 3.39Å; P172-M174 PolarHBondContact O-N 3.46Å
173N58.4Low51.6Low140 Ų140118.3 Ų118.375%0.74967%0.665SS**  trans-53.8110.8173.9-112.8-4.6000109T171 T175T171-N173 PolarHBondContact O-N 2.99Å; T171-N173 VanDerWaalsContact O-N 3.08Å; N173-T175 PolarHBondContact O-N 3.24Å
174M56.8Low51.8Low148 Ų148119.1 Ų119.173%0.72968%0.68SS**  trans-81.93-175.9-74.3-66.8118.500112.9P172 P176P172-M174 HydrophobicContact CB-CE 3.55Å; P172-M174 HydrophobicContact CG-CE 3.58Å; P172-M174 VanDerWaalsContact O-CE 3.22Å; P172-M174 WeakPolarHBondContact O-CE 3.39Å; P172-M174 PolarHBondContact O-N 3.46Å; M174-P176 WeakPolarHBondContact O-CD 3.2Å; M174-P176 VanDerWaalsContact O-N 3.12Å
175T54.2Low52.1Low107 Ų107117.6 Ų117.666%0.65669%0.689SS**  trans-62.1113.4-179.731.10000110.1N173 G177N173-T175 PolarHBondContact O-N 3.24Å; T175-G177 PolarHBondContact O-N 3Å; T175-G177 VanDerWaalsContact O-N 3.07Å
176P50.6Low52.8Low118 Ų118121.6 Ų121.677%0.76670%0.696SS**  trans-65.6113.3166.3-4.621.3000105.3M174 S178M174-P176 WeakPolarHBondContact O-CD 3.2Å; M174-P176 VanDerWaalsContact O-N 3.12Å; P176-S178 PolarHBondContact O-N 3.44Å
177G41.6Very low53.9Low70 Ų70123.4 Ų123.472%0.72270%0.702SS**  trans-50.4116.6177.200000109.5T175 A179T175-G177 PolarHBondContact O-N 3Å; T175-G177 VanDerWaalsContact O-N 3.07Å; G177-A179 PolarHBondContact O-N 3.24Å
178S44.7Very low55Low98 Ų98124.3 Ų124.369%0.68571%0.714SS**  trans-45.7138.1158.3-33.50000107.2P176 D180P176-S178 PolarHBondContact O-N 3.44Å; S178-D180 PolarHBondContact O-N 2.65Å
179A48.9Very low55.9Low111 Ų111123.5 Ų123.592%0.91771%0.71SS**SBendtrans-68.527.7-177.600000114.1G177G177-A179 PolarHBondContact O-N 3.24Å
180D47.5Very low57.2Low135 Ų135124.2 Ų124.272%0.72271%0.708SS**SBendtrans-86.9139.8175.3-74.3-33.2000110.5S178 H182S178-D180 PolarHBondContact O-N 2.65Å; D180-H182 PolarHBondContact O-N 2.77Å
181D49Very low58.5Low162 Ų162123.9 Ų123.987%0.86671%0.713SS**SBendtrans-6319.8-161.9-153.119.9000116.5
182H52.9Low59Low174 Ų174127.3 Ų127.381%0.80673%0.725SS**  trans-114.278.6172.6-66.2-43.7000109.5D180 P184D180-H182 PolarHBondContact O-N 2.77Å; H182-P184 WeakPolarHBondContact O-CD 3.42Å; H182-P184 VanDerWaalsContact O-N 3.12Å
183S51.5Low59.1Low112 Ų112128.8 Ų128.878%0.78373%0.726SS**  trans-57.3115.6167.751.90000109.1A185S183-A185 PolarHBondContact O-N 3.37Å
184P60.7Low58.5Low115 Ų115124.4 Ų124.475%0.74771%0.709SS**PPolyproline II helixtrans-59.6136.1173.323.6-30.9000107.9H182 R186H182-P184 WeakPolarHBondContact O-CD 3.42Å; H182-P184 VanDerWaalsContact O-N 3.12Å; P184-R186 PolarHBondContact O-N 3.35Å
185A64.4Low58.1Low104 Ų104126.6 Ų126.686%0.8672%0.715SS**PPolyproline II helixtrans-50.6119.7179.600000109.3S183 H187S183-A185 PolarHBondContact O-N 3.37Å; A185-H187 PolarHBondContact O-N 3.04Å
186R67.1Low58Low125 Ų125124 Ų12447%0.47271%0.71SS.*PPolyproline II helixtrans-64.1134.2-178.8-173.9175.6174.9174.4-2.1109P184 R190 M191 E192P184-R186 PolarHBondContact O-N 3.35Å; R186-R190 HydrophobicContact CG-CB 4.22Å; R186-R190 HydrophobicContact CG-CG 4.49Å; R186-R190 PolarHBondContact NE-O 2.83Å; R186-R190 PolarHBondContact NH2-O 3.31Å; R186-M191 PolarHBondContact NH2-O 3.45Å; R186-E192 IonicContact CZ-OE1 3.54Å; R186-E192 IonicContact NH1-OE1 2.68Å; R186-E192 PolarHBondContact NH1-OE1 2.75Å; R186-E192 IonicContact NH2-OE1 3.71Å
187H71.5Confident58Low110 Ų110124 Ų12451%0.50970%0.702SS.*PPolyproline II helixtrans-51.6132.4178-171.5-84.8000111.2A185 E189 R190A185-H187 PolarHBondContact O-N 3.04Å; H187-E189 VanDerWaalsContact C-N 3.29Å; H187-E189 PolarHBondContact ND1-N 3.2Å; H187-E189 PolarHBondContact O-N 3.06Å; H187-R190 HydrophobicContact CB-CB 4.26Å; H187-R190 VanDerWaalsContact O-CB 3.27Å; H187-R190 WeakPolarHBondContact O-CB 3.48Å; H187-R190 PolarHBondContact O-N 3.11Å
188P77.9Confident58.2Low125 Ų125124 Ų12481%0.81269%0.688SS**THydrogen-bonded Turntrans-60.8-33.9-169.621.4-33.2000113.6R190P188-R190 VanDerWaalsContact C-N 3.31Å; P188-R190 PolarHBondContact O-N 3.11Å
189E78.3Confident58.2Low163 Ų163123.9 Ų123.976%0.76269%0.685SS**THydrogen-bonded Turntrans-81.7-5.3177.5-59.7-172.9159.500113.9H187 M191H187-E189 VanDerWaalsContact C-N 3.29Å; H187-E189 PolarHBondContact ND1-N 3.2Å; H187-E189 PolarHBondContact O-N 3.06Å; E189-M191 VanDerWaalsContact C-N 3.29Å; E189-M191 PolarHBondContact O-N 3.15Å
190R74.9Confident58.2Low173 Ų173124 Ų12465%0.65368%0.675SS**  trans-76.484.8179.7-171.1176.7-175.3165.21.1109.7R186 H187 P188 E192R186-R190 HydrophobicContact CG-CB 4.22Å; R186-R190 HydrophobicContact CG-CG 4.49Å; R186-R190 PolarHBondContact NE-O 2.83Å; R186-R190 PolarHBondContact NH2-O 3.31Å; H187-R190 HydrophobicContact CB-CB 4.26Å; H187-R190 VanDerWaalsContact O-CB 3.27Å; H187-R190 WeakPolarHBondContact O-CB 3.48Å; H187-R190 PolarHBondContact O-N 3.11Å; P188-R190 VanDerWaalsContact C-N 3.31Å; P188-R190 PolarHBondContact O-N 3.11Å; R190-E192 PolarHBondContact O-N 2.97Å
191M69.1Low58.3Low145 Ų145123.8 Ų123.871%0.71467%0.673SS**  trans-44.3136.3175.9-68.9-177.114800111.2R186 E189 I193R186-M191 PolarHBondContact NH2-O 3.45Å; E189-M191 VanDerWaalsContact C-N 3.29Å; E189-M191 PolarHBondContact O-N 3.15Å; M191-I193 PolarHBondContact O-N 3.18Å
192E61.4Low58.1Low141 Ų141120.2 Ų120.266%0.65965%0.654SS**  trans-47134.7154.8-76-78.4116.500107.1R186 R190 A194R186-E192 IonicContact CZ-OE1 3.54Å; R186-E192 IonicContact NH1-OE1 2.68Å; R186-E192 PolarHBondContact NH1-OE1 2.75Å; R186-E192 IonicContact NH2-OE1 3.71Å; R190-E192 PolarHBondContact O-N 2.97Å; E192-A194 WeakPolarHBondContact O-CA 3.45Å; E192-A194 PolarHBondContact O-N 2.96Å
193I59.9Low57.7Low129 Ų129115 Ų11566%0.66264%0.641SS**  trans-61.492.2177.7-61.9171.3000106M191 K195 V225M191-I193 PolarHBondContact O-N 3.18Å; I193-K195 PolarHBondContact O-N 3Å; I193-K195 VanDerWaalsContact O-N 3.09Å; I193-V225 HydrophobicContact CG2-CG1 3.86Å
194A46.7Very low57.6Low48 Ų48115 Ų11540%0.39764%0.636SS.*  trans-73.5118.7-164.100000106.4E192 G196 L197E192-A194 WeakPolarHBondContact O-CA 3.45Å; E192-A194 PolarHBondContact O-N 2.96Å; A194-G196 PolarHBondContact O-N 3.15Å; A194-L197 HydrophobicContact CB-CD1 3.44Å; A194-L197 VanDerWaalsContact CB-CD1 3.44Å; A194-L197 HydrophobicContact CB-CG 3.87Å
195K47.7Very low56.8Low194 Ų194116.6 Ų116.684%0.84364%0.638SS**THydrogen-bonded Turntrans-47.7112.5164.3-64.2172.4179.1172.60107.2I193I193-K195 PolarHBondContact O-N 3Å; I193-K195 VanDerWaalsContact O-N 3.09Å
196G52.5Low56.1Low53 Ų53118 Ų11855%0.54663%0.631SS.*THydrogen-bonded Turntrans101.913.2169.200000119A194 T198A194-G196 PolarHBondContact O-N 3.15Å; G196-T198 VanDerWaalsContact C-N 3.28Å; G196-T198 PolarHBondContact O-N 2.84Å
197L49.1Very low55.1Low117 Ų117116.7 Ų116.761%0.61364%0.641SS**SBendtrans-74.2-7.1179.9-86.3164.9000115.8A194 P199A194-L197 HydrophobicContact CB-CD1 3.44Å; A194-L197 VanDerWaalsContact CB-CD1 3.44Å; A194-L197 HydrophobicContact CB-CG 3.87Å; L197-P199 VanDerWaalsContact C-CD 3.5Å; L197-P199 WeakPolarHBondContact O-CD 3.37Å
198T47.3Very low54.2Low69 Ų69119.2 Ų119.242%0.42366%0.657SS.*  trans-120.575.5172.455.20000110.8G196 T200 L201 D202G196-T198 VanDerWaalsContact C-N 3.28Å; G196-T198 PolarHBondContact O-N 2.84Å; T198-T200 PolarHBondContact O-N 3.36Å; T198-T200 VanDerWaalsContact O-N 3.11Å; T198-L201 HydrophobicContact CG2-CD1 4.38Å; T198-L201 PolarHBondContact O-N 3.45Å; T198-L201 VanDerWaalsContact O-N 3.15Å; T198-D202 PolarHBondContact O-N 3.23Å
199P44.3Very low52.6Low96 Ų96118 Ų11862%0.62365%0.651SS**Hα-helixtrans-60.3-23.7178.623.3-31.4000112.4L197 A203L197-P199 VanDerWaalsContact C-CD 3.5Å; L197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-A203 WeakPolarHBondContact O-CB 3.46Å; P199-A203 PolarHBondContact O-N 3.31Å
200T48.7Very low50.7Low115 Ų115115 Ų11571%0.70666%0.655SS**Hα-helixtrans-73.6-23.2178.841.50000114.6T198T198-T200 PolarHBondContact O-N 3.36Å; T198-T200 VanDerWaalsContact O-N 3.11Å
201L49.5Very low49.5Very low129 Ų129114.2 Ų114.268%0.67566%0.662SS**Hα-helixtrans-93.8-30.4177.5-85.7146.6000112.6T198T198-L201 HydrophobicContact CG2-CD1 4.38Å; T198-L201 PolarHBondContact O-N 3.45Å; T198-L201 VanDerWaalsContact O-N 3.15Å
202D44Very low48Very low88 Ų88113.5 Ų113.547%0.47167%0.668SS.*Hα-helixtrans-77.6-26.9178.9-73.1-31.2000112.8T198 V204T198-D202 PolarHBondContact O-N 3.23Å; D202-V204 VanDerWaalsContact C-N 3.29Å; D202-V204 PolarHBondContact O-N 3.08Å
203A44.9Very low47.2Very low65 Ų65110.9 Ų110.954%0.53767%0.671SS.*THydrogen-bonded Turntrans-67.6-24-178.200000114.3P199 N205P199-A203 WeakPolarHBondContact O-CB 3.46Å; P199-A203 PolarHBondContact O-N 3.31Å; A203-N205 PolarHBondContact O-N 3.33Å
204V49.9Very low46.2Very low112 Ų112111.8 Ų111.868%0.67968%0.677SS**THydrogen-bonded Turntrans-77.3-21.8-175.3-177.70000112.5D202D202-V204 VanDerWaalsContact C-N 3.29Å; D202-V204 PolarHBondContact O-N 3.08Å
205N44.9Very low45.9Very low148 Ų148118.3 Ų118.379%0.79170%0.699SS**THydrogen-bonded Turntrans-103.5-8.3-175.6-96.9-1.9000115.3A203A203-N205 PolarHBondContact O-N 3.33Å
206L48.4Very low45.4Very low134 Ų134115.1 Ų115.170%0.70270%0.696SS**SBendtrans-97.2-8.2-175.8-80.6158.4000114.3L208L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 3.46Å
207S46Very low44.7Very low97 Ų97120 Ų12068%0.67872%0.715SS**THydrogen-bonded Turntrans-82.15.2-177.455.90000115.4
208L52.1Low44.3Very low162 Ų162119.8 Ų119.885%0.84872%0.719SS**THydrogen-bonded Turntrans-115.311.6-175.6-115.886000116.7L206L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 3.46Å
209S44.9Very low43.9Very low99 Ų99123.3 Ų123.369%0.69274%0.74SS**  trans-143.382175.750.70000113.4
210A39.5Very low43.4Very low102 Ų102130.1 Ų130.184%0.84375%0.753SS**  trans-94.897.5163.600000109.6
211I48.3Very low43Very low156 Ų156133.2 Ų133.280%0.876%0.76SS**  trans-143.1117.6158.3-55.9-178.8000107.7
212P38.7Very low42.5Very low129 Ų129131.3 Ų131.384%0.83876%0.758SS**  trans-98.7118.8170.632.9-23000110.1
213A44.2Very low42.7Very low87 Ų87132.7 Ų132.772%0.71977%0.771SS**  trans-156.1117.3163.400000112.4
214N39.6Very low43.2Very low147 Ų147138.2 Ų138.279%0.78679%0.785SS**  trans48.1114148.8-77.4-5.9000122.1
215Q40.3Very low43.5Very low185 Ų185137.5 Ų137.586%0.86478%0.781SS**  trans23.5102133.1-61.5-179.12400117.1
216T37.2Very low44.3Very low127 Ų127141.9 Ų141.978%0.77979%0.787SS**  trans-159.6125.8138.210.50000109T218T216-T218 PolarHBondContact O-N 3.03Å
217T36.1Very low45.3Very low155 Ų155146.5 Ų146.595%0.95180%0.795SS**  trans-60.3103.7179.3-18.50000109.2
218T40.8Very low47.2Very low113 Ų113145.8 Ų145.869%0.69380%0.795SS**  trans-121.7130.4167.150.40000108.3T216 R220T216-T218 PolarHBondContact O-N 3.03Å; T218-R220 PolarHBondContact O-N 3.32Å
219V39.2Very low48.8Very low143 Ų143145.9 Ų145.987%0.86779%0.788SS**  trans-52.4102.8174176.20000107.8Q221V219-Q221 PolarHBondContact O-N 3.14Å
220R35Very low50.8Low239 Ų239152.7 Ų152.790%0.90280%0.799SS**  trans-67.597.6173.5-83.1-177173.6-172.2-2.3107.6T218 S222T218-R220 PolarHBondContact O-N 3.32Å; R220-S222 PolarHBondContact O-N 3.11Å
221Q40.1Very low53.2Low180 Ų180153.5 Ų153.584%0.84179%0.785SS**PPolyproline II helixtrans-50.8123.4159-71.3-179.8-9.200107.3V219V219-Q221 PolarHBondContact O-N 3.14Å
222S38.2Very low55.2Low90 Ų90150.6 Ų150.663%0.62977%0.771SS**PPolyproline II helixtrans-49.6132.4176.7500000109.6R220 H224R220-S222 PolarHBondContact O-N 3.11Å; S222-H224 PolarHBondContact O-N 2.83Å
223P49.7Very low57.8Low116 Ų116146 Ų14675%0.75375%0.747SS**PPolyproline II helixtrans-60.6119.6176.225.9-31.1000107.4V225P223-V225 PolarHBondContact O-N 3.21Å
224H54Low60.2Low181 Ų181144.3 Ų144.384%0.83873%0.725SS**  trans-49.6113.2172.3-95.1-78.7000108.4S222 R226S222-H224 PolarHBondContact O-N 2.83Å; H224-R226 PolarHBondContact O-N 3.39Å
225V56Low62.8Low97 Ų97144 Ų14459%0.58871%0.713SS**  trans-62107.2169.6-179.40000106.5I193 P223 R227I193-V225 HydrophobicContact CG2-CG1 3.86Å; P223-V225 PolarHBondContact O-N 3.21Å; V225-R227 PolarHBondContact O-N 3.14Å
226R61.5Low65.5Low240 Ų240137.1 Ų137.191%0.90669%0.685SS**  trans-72.6102.5178.9-68.6-172.8-179.7-173.21.1108H224 A228H224-R226 PolarHBondContact O-N 3.39Å; R226-A228 PolarHBondContact O-N 3.26Å
227R71.2Confident68.2Low231 Ų231139 Ų13987%0.87269%0.685SS**  trans-65.9126.1173.4-170.3175179.9141.6-1.5109.1V225 K229V225-R227 PolarHBondContact O-N 3.14Å; R227-K229 PolarHBondContact O-N 3.11Å
228A84.2Confident71Confident82 Ų82134.6 Ų134.668%0.67866%0.661SS**  trans-64133.4171.600000109.9R226R226-A228 PolarHBondContact O-N 3.26Å
229K86.5Confident73.5Confident165 Ų165136.9 Ų136.972%0.71766%0.657SS**  trans-105122.5174.6-177.8176.8177.9177.50108.8R227 H231R227-K229 PolarHBondContact O-N 3.11Å; K229-H231 PolarHBondContact O-CE1 3.13Å; K229-H231 PolarHBondContact O-ND1 2.78Å
230W87.4Confident76.2Confident242 Ų242130.4 Ų130.492%0.91762%0.618SS**  trans-73.7143.9174-65.892.9000110.7
231H89.2Confident79Confident118 Ų118124.7 Ų124.755%0.54660%0.602SS.*  trans-132.2147.6175.5-56.491.5000108.7K229K229-H231 PolarHBondContact O-CE1 3.13Å; K229-H231 PolarHBondContact O-ND1 2.78Å
232L90.3Very high81.7Confident95 Ų95119.9 Ų119.950%0.49758%0.582SS.*SBendtrans-73.4130.2173.4-17867.2000109.9M1 L292 D294M1-L232 HydrophobicContact CE-CD2 4.16Å; M1-L232 HydrophobicContact SD-CD2 4.22Å; L232-L292 HydrophobicContact CB-CD1 4.37Å; L232-L292 HydrophobicContact CD2-CD2 4.24Å; L232-L292 HydrophobicContact CG-CD2 4.31Å; L232-L292 WeakPolarHBondContact O-CD1 3.37Å; L232-D294 WeakPolarHBondContact CD1-OD1 3.25Å
233G93.7Very high84.5Confident33 Ų33116.5 Ų116.534%0.3456%0.556SS.*SBendtrans54.4-148.2173.100000114.7L293G233-L293 VanDerWaalsContact CA-O 3.3Å; G233-L293 WeakPolarHBondContact CA-O 3.4Å
234I95.1Very high86.7Confident52 Ų52111.3 Ų111.327%0.26752%0.522SS..EExtended strand (participates in β ladder)trans-122.2148.7173.965.2177.3000110.7L292 L293 F295 I365 L368I234-L292 CarbonylContact O-C 3.59Å; I234-L292 WeakPolarHBondContact O-CA 3.49Å; I234-L293 HydrophobicContact CD1-CD2 4.09Å; I234-L293 HydrophobicContact CG1-CB 3.87Å; I234-L293 HydrophobicContact CG1-CD2 4.26Å; I234-L293 PolarHBondContact N-O 2.97Å; I234-L293 VanDerWaalsContact N-O 3.08Å; I234-L293 PolarHBondContact O-N 3.29Å; I234-F295 HydrophobicContact CD1-CE2 4.48Å; I234-F295 HydrophobicContact CD1-CZ 4.27Å; I234-F295 HydrophobicContact CG1-CE2 4.09Å; I234-F295 HydrophobicContact CG1-CZ 4.38Å; I234-F295 HydrophobicContact CG2-CE2 4.39Å; I234-I365 HydrophobicContact CG2-CD1 4.33Å; I234-I365 HydrophobicContact CG2-CG1 4.16Å; I234-I365 HydrophobicContact CG2-CG2 4.33Å; I234-L368 HydrophobicContact CD1-CD1 3.8Å
235R94.5Very high88.7Confident141 Ų141110.1 Ų110.153%0.53251%0.511SS..EExtended strand (participates in β ladder)trans-113.7146.1-178.7-63.4-175.8-177.5-160.1-0.7111.4Y291 L292R235-Y291 VanDerWaalsContact CA-O 3.28Å; R235-Y291 WeakPolarHBondContact CA-O 3.39Å; R235-L292 HydrophobicContact CG-CB 4.3Å; R235-L292 HydrophobicContact CG-CD1 3.92Å; R235-L292 HydrophobicContact CG-CG 4.35Å
236S94.9Very high90.7Very high40 Ų40109 Ų10928%0.2850%0.5SS..EExtended strand (participates in β ladder)trans-142.1147.8173.7179.50000111.2S238 Y291S236-S238 WeakPolarHBondContact OG-CB 3.34Å; S236-S238 PolarHBondContact OG-N 3.1Å; S236-S238 VanDerWaalsContact OG-N 3.14Å; S236-S238 PolarHBondContact OG-OG 3.14Å; S236-Y291 PolarHBondContact N-O 2.97Å; S236-Y291 PolarHBondContact O-N 3.41Å
237Q95.1Very high92.4Very high167 Ų16797.6 Ų97.678%0.7846%0.457SS*.  trans-98.1-1.1173.3-64.7-178.6-700112.6R289Q237-R289 WeakPolarHBondContact CA-O 3.24Å
238S94.7Very high93.6Very high62 Ų6289 Ų8943%0.43443%0.426SS..SBendtrans-66165173.7-58.10000111.1S236 I243 Y291S236-S238 WeakPolarHBondContact OG-CB 3.34Å; S236-S238 PolarHBondContact OG-N 3.1Å; S236-S238 VanDerWaalsContact OG-N 3.14Å; S236-S238 PolarHBondContact OG-OG 3.14Å; S238-I243 WeakPolarHBondContact O-CD1 3.27Å; S238-Y291 VanDerWaalsContact O-CD2 3.23Å; S238-Y291 WeakPolarHBondContact O-CD2 3.33Å; S238-Y291 WeakPolarHBondContact O-CE2 3.4Å
239R94.1Very high94.2Very high161 Ų16192.2 Ų92.261%0.60842%0.421SS*.  trans-66.1148.1177.3-54.3174.464.8-164.9-8.4109.5E241 D242 I243R239-E241 IonicContact NH2-OE2 2.93Å; R239-E241 PolarHBondContact O-N 3.46Å; R239-D242 VanDerWaalsContact CB-OD2 3.32Å; R239-D242 WeakPolarHBondContact CB-OD2 3.39Å; R239-D242 PolarHBondContact O-N 3.38Å; R239-I243 WeakPolarHBondContact O-CG1 3.47Å; R239-I243 PolarHBondContact O-N 2.94Å
240A94.6Very high94.7Very high7 Ų784.6 Ų84.66%0.05839%0.388CS..Hα-helixtrans-55-38.7-177.700000113.1V4 I243 M244 Y264 L283 Y291V4-A240 HydrophobicContact CG1-CB 4.11Å; A240-I243 PolarHBondContact O-N 3.26Å; A240-M244 WeakPolarHBondContact O-CG 3.2Å; A240-M244 PolarHBondContact O-N 3.14Å; A240-M244 VanDerWaalsContact O-N 3.07Å; A240-Y264 HydrophobicContact CB-CD1 4.27Å; A240-Y264 HydrophobicContact CB-CE1 3.53Å; A240-L283 HydrophobicContact CB-CD2 3.83Å; A240-Y291 HydrophobicContact CB-CD1 4.24Å; A240-Y291 HydrophobicContact CB-CE1 3.88Å; A240-Y291 HydrophobicContact CB-CE2 4.34Å
241E95Very high95.1Very high118 Ų11873.1 Ų73.155%0.55135%0.345SS*.Hα-helixtrans-63.8-45.4176.3-66168.1-177.900112.1R239 I243 M244 Y245R239-E241 IonicContact NH2-OE2 2.93Å; R239-E241 PolarHBondContact O-N 3.46Å; E241-I243 VanDerWaalsContact C-N 3.34Å; E241-I243 PolarHBondContact O-N 2.98Å; E241-M244 PolarHBondContact O-N 2.76Å; E241-Y245 WeakPolarHBondContact O-CB 3.31Å; E241-Y245 PolarHBondContact O-N 3.38Å
242D96Very high95.4Very high80 Ų8075 Ų7543%0.42835%0.351SS..Hα-helixtrans-64.6-40.8179-57.5-31.7000110.9R239 Y245 E246R239-D242 VanDerWaalsContact CB-OD2 3.32Å; R239-D242 WeakPolarHBondContact CB-OD2 3.39Å; R239-D242 PolarHBondContact O-N 3.38Å; D242-Y245 PolarHBondContact O-N 2.93Å; D242-E246 PolarHBondContact O-N 3.12Å
243I96.2Very high95.6Very high18 Ų1874.1 Ų74.19%0.09235%0.353CS..Hα-helixtrans-60.6-50.7176.2-64.1165.9000110S238 R239 A240 E241 Y245 E246 V247 L283 Y291S238-I243 WeakPolarHBondContact O-CD1 3.27Å; R239-I243 WeakPolarHBondContact O-CG1 3.47Å; R239-I243 PolarHBondContact O-N 2.94Å; A240-I243 PolarHBondContact O-N 3.26Å; E241-I243 VanDerWaalsContact C-N 3.34Å; E241-I243 PolarHBondContact O-N 2.98Å; I243-Y245 VanDerWaalsContact C-N 3.3Å; I243-Y245 PolarHBondContact O-N 3.29Å; I243-E246 PolarHBondContact O-N 3.19Å; I243-V247 HydrophobicContact CG2-CG2 4.43Å; I243-V247 VanDerWaalsContact O-CG2 3.28Å; I243-V247 WeakPolarHBondContact O-CG2 3.4Å; I243-V247 PolarHBondContact O-N 3.14Å; I243-L283 HydrophobicContact CB-CD2 4.47Å; I243-L283 HydrophobicContact CD1-CD1 4.47Å; I243-L283 HydrophobicContact CG2-CD1 3.8Å; I243-L283 HydrophobicContact CG2-CD2 4.43Å; I243-Y291 HydrophobicContact CD1-CD2 3.82Å; I243-Y291 HydrophobicContact CD1-CG 4.02Å
244M97Very high95.6Very high8 Ų874.8 Ų74.84%0.03935%0.349CS..Hα-helixtrans-63.7-37.2179.9-69.4-54.6-5900111.8A240 E241 V247 F248 Y264 V266 L283A240-M244 WeakPolarHBondContact O-CG 3.2Å; A240-M244 PolarHBondContact O-N 3.14Å; A240-M244 VanDerWaalsContact O-N 3.07Å; E241-M244 PolarHBondContact O-N 2.76Å; M244-V247 WeakPolarHBondContact O-CB 3.22Å; M244-V247 PolarHBondContact O-N 3Å; M244-F248 HydrophobicContact CB-CD2 4.46Å; M244-F248 HydrophobicContact CB-CE2 4.04Å; M244-F248 HydrophobicContact CE-CE2 4.08Å; M244-F248 HydrophobicContact CE-CZ 3.83Å; M244-F248 WeakPolarHBondContact O-CD2 3.31Å; M244-F248 WeakPolarHBondContact O-CG 3.29Å; M244-F248 PolarHBondContact O-N 3.47Å; M244-Y264 HydrophobicContact CG-CD1 3.69Å; M244-Y264 HydrophobicContact CG-CE1 4.15Å; M244-Y264 HydrophobicContact SD-CD1 4.45Å; M244-V266 HydrophobicContact CE-CG2 3.79Å; M244-L283 HydrophobicContact CG-CD2 4.25Å; M244-L283 HydrophobicContact SD-CB 4.1Å; M244-L283 HydrophobicContact SD-CD2 4.31Å
245Y96.6Very high95.6Very high155 Ų15576.5 Ų76.561%0.60836%0.358SS*.Hα-helixtrans-58.5-48.9174.7-179.8-94.8000112.1E241 D242 I243 V247 F248 R249E241-Y245 WeakPolarHBondContact O-CB 3.31Å; E241-Y245 PolarHBondContact O-N 3.38Å; D242-Y245 PolarHBondContact O-N 2.93Å; I243-Y245 VanDerWaalsContact C-N 3.3Å; I243-Y245 PolarHBondContact O-N 3.29Å; Y245-V247 VanDerWaalsContact C-N 3.32Å; Y245-V247 PolarHBondContact O-N 3.1Å; Y245-F248 PolarHBondContact O-N 3Å; Y245-R249 WeakPolarHBondContact O-CB 3.34Å; Y245-R249 PolarHBondContact O-N 3.31Å
246E96.8Very high95.6Very high73 Ų7370.6 Ų70.634%0.34134%0.337SS..Hα-helixtrans-64.2-36.6176.5-71.6-58.5138.300111.9D242 I243 R249 A250 L368D242-E246 PolarHBondContact O-N 3.12Å; I243-E246 PolarHBondContact O-N 3.19Å; E246-R249 PolarHBondContact O-N 3.3Å; E246-R249 IonicContact OE1-NH1 2.71Å; E246-R249 PolarHBondContact OE1-NH1 3Å; E246-R249 IonicContact OE2-NH1 3.6Å; E246-R249 PolarHBondContact OE2-NH1 3.37Å; E246-A250 VanDerWaalsContact O-CB 3.3Å; E246-A250 WeakPolarHBondContact O-CB 3.46Å; E246-A250 PolarHBondContact O-N 2.91Å; E246-L368 HydrophobicContact CB-CD2 4.17Å
247V97.3Very high95.5Very high1 Ų171.6 Ų71.61%0.00634%0.337CS..Hα-helixtrans-60-48.9172.5172.20000111.4I243 M244 Y245 R249 A250 M251 L281 L293 L368I243-V247 HydrophobicContact CG2-CG2 4.43Å; I243-V247 VanDerWaalsContact O-CG2 3.28Å; I243-V247 WeakPolarHBondContact O-CG2 3.4Å; I243-V247 PolarHBondContact O-N 3.14Å; M244-V247 WeakPolarHBondContact O-CB 3.22Å; M244-V247 PolarHBondContact O-N 3Å; Y245-V247 VanDerWaalsContact C-N 3.32Å; Y245-V247 PolarHBondContact O-N 3.1Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 3.39Å; V247-A250 PolarHBondContact O-N 3.47Å; V247-M251 HydrophobicContact CG1-CE 3.97Å; V247-M251 HydrophobicContact CG1-CG 4.49Å; V247-M251 HydrophobicContact CG1-SD 4.29Å; V247-M251 WeakPolarHBondContact O-CB 3.48Å; V247-M251 VanDerWaalsContact O-CG 3.27Å; V247-M251 WeakPolarHBondContact O-CG 3.36Å; V247-M251 PolarHBondContact O-N 3.4Å; V247-L281 HydrophobicContact CG1-CD1 3.92Å; V247-L293 HydrophobicContact CG2-CD2 3.71Å; V247-L368 HydrophobicContact CG2-CD1 4.07Å; V247-L368 HydrophobicContact CG2-CD2 4.08Å
248F97.2Very high95.5Very high50 Ų5067.8 Ų67.822%0.21932%0.315CS..Hα-helixtrans-62.9-39.9176.8-67-55.5000112.5M244 Y245 M251 K252 W258 I260 V266M244-F248 HydrophobicContact CB-CD2 4.46Å; M244-F248 HydrophobicContact CB-CE2 4.04Å; M244-F248 HydrophobicContact CE-CE2 4.08Å; M244-F248 HydrophobicContact CE-CZ 3.83Å; M244-F248 WeakPolarHBondContact O-CD2 3.31Å; M244-F248 WeakPolarHBondContact O-CG 3.29Å; M244-F248 PolarHBondContact O-N 3.47Å; Y245-F248 PolarHBondContact O-N 3Å; F248-M251 HydrophobicContact CD1-CE 3.36Å; F248-M251 HydrophobicContact CE1-CE 3.87Å; F248-M251 HydrophobicContact CG-CE 4.3Å; F248-K252 WeakPolarHBondContact O-CB 3.42Å; F248-K252 PolarHBondContact O-N 3.35Å; F248-W258 AromaticContact CD1-CE2 3.92Å; F248-W258 HydrophobicContact CD1-CZ2 4.33Å; F248-W258 AromaticContact CD1-NE1 3.55Å; F248-W258 AromaticContact CE1-CD1 3.93Å; F248-W258 AromaticContact CE1-NE1 3.77Å; F248-I260 HydrophobicContact CE1-CD1 4.15Å; F248-I260 HydrophobicContact CE1-CG1 4.14Å; F248-I260 HydrophobicContact CZ-CD1 3.99Å; F248-I260 HydrophobicContact CZ-CG1 4.22Å; F248-V266 HydrophobicContact CE1-CG1 4.3Å; F248-V266 HydrophobicContact CE1-CG2 3.73Å; F248-V266 HydrophobicContact CZ-CG2 3.8Å
249R96.4Very high95.6Very high151 Ų15172 Ų7257%0.5733%0.326SS*.Hα-helixtrans-62.6-46.8176.8-175.3-175.9178.5-164.8-0.9111.6Y245 E246 V247 K252 S253Y245-R249 WeakPolarHBondContact O-CB 3.34Å; Y245-R249 PolarHBondContact O-N 3.31Å; E246-R249 PolarHBondContact O-N 3.3Å; E246-R249 IonicContact OE1-NH1 2.71Å; E246-R249 PolarHBondContact OE1-NH1 3Å; E246-R249 IonicContact OE2-NH1 3.6Å; E246-R249 PolarHBondContact OE2-NH1 3.37Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 3.39Å; R249-K252 WeakPolarHBondContact O-CB 3.48Å; R249-K252 PolarHBondContact O-N 3.37Å; R249-S253 PolarHBondContact O-N 3.18Å
250A97.1Very high95.7Very high5 Ų568.8 Ų68.84%0.04132%0.32CS..Hα-helixtrans-61.9-48.817700000111.3E246 V247 K252 S253 L254 L364 S367 L368E246-A250 VanDerWaalsContact O-CB 3.3Å; E246-A250 WeakPolarHBondContact O-CB 3.46Å; E246-A250 PolarHBondContact O-N 2.91Å; V247-A250 PolarHBondContact O-N 3.47Å; A250-K252 VanDerWaalsContact C-N 3.3Å; A250-K252 PolarHBondContact O-N 2.95Å; A250-S253 PolarHBondContact O-N 2.88Å; A250-S253 PolarHBondContact O-OG 3.36Å; A250-L254 WeakPolarHBondContact O-CG 3.37Å; A250-L254 PolarHBondContact O-N 3.46Å; A250-L254 VanDerWaalsContact O-N 3.08Å; A250-L364 HydrophobicContact CB-CD1 3.64Å; A250-S367 WeakPolarHBondContact CB-OG 3.44Å; A250-L368 HydrophobicContact CB-CD2 3.9Å; A250-L368 HydrophobicContact CB-CG 4.11Å
251M95.7Very high95.6Very high0 Ų071.9 Ų71.90%034%0.338CS..Hα-helixtrans-58.7-40.7176.7-70.6-170.2-57.700112.5V247 F248 S253 L254 N255 F256 W258 V266 V268 L281 L364V247-M251 HydrophobicContact CG1-CE 3.97Å; V247-M251 HydrophobicContact CG1-CG 4.49Å; V247-M251 HydrophobicContact CG1-SD 4.29Å; V247-M251 WeakPolarHBondContact O-CB 3.48Å; V247-M251 VanDerWaalsContact O-CG 3.27Å; V247-M251 WeakPolarHBondContact O-CG 3.36Å; V247-M251 PolarHBondContact O-N 3.4Å; F248-M251 HydrophobicContact CD1-CE 3.36Å; F248-M251 HydrophobicContact CE1-CE 3.87Å; F248-M251 HydrophobicContact CG-CE 4.3Å; M251-S253 VanDerWaalsContact C-N 3.34Å; M251-S253 PolarHBondContact O-N 3.45Å; M251-L254 PolarHBondContact O-N 2.82Å; M251-N255 PolarHBondContact O-N 3.09Å; M251-F256 HydrophobicContact CB-CB 4.21Å; M251-F256 HydrophobicContact CB-CD2 4.48Å; M251-F256 HydrophobicContact CG-CD2 4.24Å; M251-F256 PolarHBondContact O-N 3.23Å; M251-W258 HydrophobicContact CB-CD2 4.44Å; M251-W258 HydrophobicContact CB-CE3 3.62Å; M251-W258 HydrophobicContact CB-CH2 4.23Å; M251-W258 HydrophobicContact CB-CZ3 3.5Å; M251-W258 VanDerWaalsContact CB-CZ3 3.5Å; M251-W258 HydrophobicContact CE-CB 4.32Å; M251-W258 HydrophobicContact CE-CD2 3.69Å; M251-W258 HydrophobicContact CE-CE3 3.96Å; M251-W258 HydrophobicContact CE-CG 3.84Å; M251-W258 HydrophobicContact SD-CB 4.42Å; M251-W258 HydrophobicContact SD-CD2 4.38Å; M251-W258 HydrophobicContact SD-CE3 4.21Å; M251-W258 HydrophobicContact SD-CG 4.48Å; M251-V266 HydrophobicContact CE-CG1 4.27Å; M251-V268 HydrophobicContact SD-CB 4.3Å; M251-V268 HydrophobicContact SD-CG1 3.85Å; M251-V268 HydrophobicContact SD-CG2 3.4Å; M251-V268 WeakPolarHBondContact SD-CG2 3.46Å; M251-L281 HydrophobicContact SD-CD1 3.86Å; M251-L364 HydrophobicContact CG-CD1 3.82Å; M251-L364 HydrophobicContact CG-CD2 4.21Å
252K95.2Very high95.5Very high157 Ų15769 Ų6968%0.68333%0.329SS*.Hα-helixtrans-60.6-43.3174.6-167.4176.3179.9178.40111.7F248 R249 A250 L254 N255 W258F248-K252 WeakPolarHBondContact O-CB 3.42Å; F248-K252 PolarHBondContact O-N 3.35Å; R249-K252 WeakPolarHBondContact O-CB 3.48Å; R249-K252 PolarHBondContact O-N 3.37Å; A250-K252 VanDerWaalsContact C-N 3.3Å; A250-K252 PolarHBondContact O-N 2.95Å; K252-L254 PolarHBondContact O-N 2.99Å; K252-N255 PolarHBondContact O-N 2.64Å; K252-W258 HydrophobicContact CB-CH2 3.84Å; K252-W258 HydrophobicContact CB-CZ3 4.44Å; K252-W258 HydrophobicContact CG-CH2 4.44Å
253S95Very high95.4Very high77 Ų7769.7 Ų69.754%0.53834%0.337SS..Hα-helixtrans-66.1-27.2179.578.80000113.3R249 A250 M251R249-S253 PolarHBondContact O-N 3.18Å; A250-S253 PolarHBondContact O-N 2.88Å; A250-S253 PolarHBondContact O-OG 3.36Å; M251-S253 VanDerWaalsContact C-N 3.34Å; M251-S253 PolarHBondContact O-N 3.45Å
254L94.1Very high95.4Very high48 Ų4871 Ų7125%0.25134%0.342SS..THydrogen-bonded Turntrans-90.13.7179.5-65.2171.2000113.5A250 M251 K252 F256 L364A250-L254 WeakPolarHBondContact O-CG 3.37Å; A250-L254 PolarHBondContact O-N 3.46Å; A250-L254 VanDerWaalsContact O-N 3.08Å; M251-L254 PolarHBondContact O-N 2.82Å; K252-L254 PolarHBondContact O-N 2.99Å; L254-F256 HydrophobicContact CB-CD1 4.14Å; L254-F256 HydrophobicContact CB-CD2 4.19Å; L254-F256 HydrophobicContact CB-CE1 4.1Å; L254-F256 HydrophobicContact CB-CE2 4.15Å; L254-F256 HydrophobicContact CB-CG 4.19Å; L254-F256 HydrophobicContact CB-CZ 4.11Å; L254-F256 HydrophobicContact CD1-CD2 4.38Å; L254-F256 HydrophobicContact CD1-CE2 3.86Å; L254-F256 HydrophobicContact CD1-CZ 4.19Å; L254-F256 PolarHBondContact O-N 3.16Å; L254-L364 HydrophobicContact CD1-CB 4.2Å; L254-L364 HydrophobicContact CD1-CD1 4.15Å
255N93.6Very high95.3Very high87 Ų8772.7 Ų72.747%0.46535%0.349SS..THydrogen-bonded Turntrans54.738-173.6-60.1-55.2000113.1M251 K252 R271M251-N255 PolarHBondContact O-N 3.09Å; K252-N255 PolarHBondContact O-N 2.64Å; N255-R271 WeakPolarHBondContact O-CB 3.23Å; N255-R271 PolarHBondContact O-N 3.1Å
256F94.7Very high95.3Very high18 Ų1865.3 Ų65.38%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-81.8151.2169-65.8-12.7000110.4M251 L254 W258 V268 R269 M279 M360 L364M251-F256 HydrophobicContact CB-CB 4.21Å; M251-F256 HydrophobicContact CB-CD2 4.48Å; M251-F256 HydrophobicContact CG-CD2 4.24Å; M251-F256 PolarHBondContact O-N 3.23Å; L254-F256 HydrophobicContact CB-CD1 4.14Å; L254-F256 HydrophobicContact CB-CD2 4.19Å; L254-F256 HydrophobicContact CB-CE1 4.1Å; L254-F256 HydrophobicContact CB-CE2 4.15Å; L254-F256 HydrophobicContact CB-CG 4.19Å; L254-F256 HydrophobicContact CB-CZ 4.11Å; L254-F256 HydrophobicContact CD1-CD2 4.38Å; L254-F256 HydrophobicContact CD1-CE2 3.86Å; L254-F256 HydrophobicContact CD1-CZ 4.19Å; L254-F256 PolarHBondContact O-N 3.16Å; F256-W258 HydrophobicContact CB-CE3 4.43Å; F256-W258 VanDerWaalsContact O-CE3 3.22Å; F256-W258 WeakPolarHBondContact O-CZ3 3.44Å; F256-V268 HydrophobicContact CB-CG1 3.71Å; F256-V268 HydrophobicContact CD2-CG1 3.77Å; F256-V268 HydrophobicContact CG-CG1 4Å; F256-R269 WeakPolarHBondContact CA-O 3.46Å; F256-M279 HydrophobicContact CD2-CE 4.24Å; F256-M279 HydrophobicContact CE2-CE 4.02Å; F256-M360 HydrophobicContact CZ-CB 4.47Å; F256-M360 HydrophobicContact CZ-CG 4.45Å; F256-L364 HydrophobicContact CE2-CB 4.4Å
257E93.6Very high95.3Very high61 Ų6164.3 Ų64.329%0.28532%0.317SS..EExtended strand (participates in β ladder)trans-108.6143.8168.7-70.6178.3175.700108.5V268 R269 R271E257-V268 CarbonylContact O-C 3.59Å; E257-V268 WeakPolarHBondContact O-CA 3.45Å; E257-R269 HydrophobicContact CB-CG 3.86Å; E257-R269 PolarHBondContact N-O 3.13Å; E257-R269 PolarHBondContact O-N 3.02Å; E257-R269 VanDerWaalsContact O-O 3.13Å; E257-R269 IonicContact OE2-CZ 3.14Å; E257-R269 IonicContact OE2-NE 2.78Å; E257-R269 PolarHBondContact OE2-NE 3.39Å; E257-R269 IonicContact OE2-NH2 2.63Å; E257-R269 PolarHBondContact OE2-NH2 3.34Å; E257-R271 HydrophobicContact CG-CB 4.06Å; E257-R271 HydrophobicContact CG-CG 4.25Å; E257-R271 VanDerWaalsContact OE1-CD 3.25Å; E257-R271 WeakPolarHBondContact OE1-CD 3.32Å; E257-R271 VanDerWaalsContact OE1-CG 3.28Å; E257-R271 WeakPolarHBondContact OE1-CG 3.22Å; E257-R271 IonicContact OE1-NE 3.48Å; E257-R271 PolarHBondContact OE1-NE 3.44Å
258W95.4Very high95.1Very high86 Ų8664.3 Ų64.333%0.32632%0.317SS..EExtended strand (participates in β ladder)trans-144.7152.1-176.360.185.8000113.3F248 M251 K252 F256 V266 I267 V268F248-W258 AromaticContact CD1-CE2 3.92Å; F248-W258 HydrophobicContact CD1-CZ2 4.33Å; F248-W258 AromaticContact CD1-NE1 3.55Å; F248-W258 AromaticContact CE1-CD1 3.93Å; F248-W258 AromaticContact CE1-NE1 3.77Å; M251-W258 HydrophobicContact CB-CD2 4.44Å; M251-W258 HydrophobicContact CB-CE3 3.62Å; M251-W258 HydrophobicContact CB-CH2 4.23Å; M251-W258 HydrophobicContact CB-CZ3 3.5Å; M251-W258 VanDerWaalsContact CB-CZ3 3.5Å; M251-W258 HydrophobicContact CE-CB 4.32Å; M251-W258 HydrophobicContact CE-CD2 3.69Å; M251-W258 HydrophobicContact CE-CE3 3.96Å; M251-W258 HydrophobicContact CE-CG 3.84Å; M251-W258 HydrophobicContact SD-CB 4.42Å; M251-W258 HydrophobicContact SD-CD2 4.38Å; M251-W258 HydrophobicContact SD-CE3 4.21Å; M251-W258 HydrophobicContact SD-CG 4.48Å; K252-W258 HydrophobicContact CB-CH2 3.84Å; K252-W258 HydrophobicContact CB-CZ3 4.44Å; K252-W258 HydrophobicContact CG-CH2 4.44Å; F256-W258 HydrophobicContact CB-CE3 4.43Å; F256-W258 VanDerWaalsContact O-CE3 3.22Å; F256-W258 WeakPolarHBondContact O-CZ3 3.44Å; W258-V266 HydrophobicContact CB-CG1 3.58Å; W258-V266 HydrophobicContact CG-CG1 3.99Å; W258-I267 CarbonylContact C-O 3.48Å; W258-I267 WeakPolarHBondContact CA-O 3.41Å; W258-I267 WeakPolarHBondContact CB-O 3.34Å; W258-V268 HydrophobicContact CB-CG2 4.24Å
259K95.2Very high94.9Very high150 Ų15067.7 Ų67.765%0.65233%0.328SS*.EExtended strand (participates in β ladder)trans-116.3121.6172.2-178.4178.9177.8-179.40108.6V261 I267K259-V261 PolarHBondContact O-N 3.48Å; K259-I267 PolarHBondContact N-O 3.5Å; K259-I267 PolarHBondContact O-N 2.89Å
260I96.2Very high94.4Very high94 Ų9461.5 Ų61.548%0.48231%0.308SS..EExtended strand (participates in β ladder)trans-77.4119.3174.8-57.7176.8000107.9F248 T262 V266F248-I260 HydrophobicContact CE1-CD1 4.15Å; F248-I260 HydrophobicContact CE1-CG1 4.14Å; F248-I260 HydrophobicContact CZ-CD1 3.99Å; F248-I260 HydrophobicContact CZ-CG1 4.22Å; I260-T262 WeakPolarHBondContact CG2-O 3.29Å; I260-V266 HydrophobicContact CG1-CG2 4.36Å
261V94.1Very high93.7Very high72 Ų7268.9 Ų68.944%0.43633%0.334SS..EExtended strand (participates in β ladder)trans-90.5-47173.6-177.60000109.2K259 H265 I267K259-V261 PolarHBondContact O-N 3.48Å; V261-H265 HydrophobicContact CB-CB 4.2Å; V261-H265 PolarHBondContact N-O 3.21Å; V261-I267 HydrophobicContact CG2-CD1 3.72Å; V261-I267 HydrophobicContact CG2-CG1 3.85Å
262T93.2Very high92.7Very high59 Ų5974.8 Ų74.836%0.36237%0.366SS..EExtended strand (participates in β ladder)trans-138.5167.1169.676.80000109.1I260 Y264 H265I260-T262 WeakPolarHBondContact CG2-O 3.29Å; T262-Y264 PolarHBondContact O-N 2.93Å; T262-Y264 PolarHBondContact OG1-N 3.41Å; T262-H265 HydrophobicContact CG2-CB 4.25Å; T262-H265 PolarHBondContact N-O 3.49Å; T262-H265 CarbonylContact O-C 3.59Å; T262-H265 PolarHBondContact O-N 2.94Å; T262-H265 WeakPolarHBondContact OG1-CB 3.4Å; T262-H265 PolarHBondContact OG1-N 2.93Å; T262-H265 VanDerWaalsContact OG1-N 3.13Å
263P93.8Very high91.5Very high93 Ų9370.4 Ų70.460%0.60435%0.35SS*.THydrogen-bonded Turntrans-53.5-18.9178-27.736.2000114.9
264Y95.3Very high90.2Very high47 Ų4774 Ų7418%0.18436%0.364CS..THydrogen-bonded Turntrans-124.410.5-177.6-56.8-70.1000112.9V4 A240 M244 T262 Q282 L283V4-Y264 HydrophobicContact CB-CD1 4.13Å; V4-Y264 HydrophobicContact CB-CD2 3.75Å; V4-Y264 HydrophobicContact CB-CE1 4.49Å; V4-Y264 HydrophobicContact CB-CE2 4.12Å; V4-Y264 HydrophobicContact CB-CG 3.72Å; V4-Y264 HydrophobicContact CG1-CD1 3.97Å; V4-Y264 HydrophobicContact CG1-CD2 3.64Å; V4-Y264 HydrophobicContact CG1-CE1 3.82Å; V4-Y264 HydrophobicContact CG1-CE2 3.45Å; V4-Y264 VanDerWaalsContact CG1-CE2 3.45Å; V4-Y264 HydrophobicContact CG1-CG 3.87Å; V4-Y264 WeakPolarHBondContact O-CD2 3.44Å; A240-Y264 HydrophobicContact CB-CD1 4.27Å; A240-Y264 HydrophobicContact CB-CE1 3.53Å; M244-Y264 HydrophobicContact CG-CD1 3.69Å; M244-Y264 HydrophobicContact CG-CE1 4.15Å; M244-Y264 HydrophobicContact SD-CD1 4.45Å; T262-Y264 PolarHBondContact O-N 2.93Å; T262-Y264 PolarHBondContact OG1-N 3.41Å; Y264-Q282 WeakPolarHBondContact O-CA 3.49Å; Y264-Q282 PolarHBondContact O-NE2 3.02Å; Y264-Q282 VanDerWaalsContact O-NE2 3.08Å; Y264-L283 HydrophobicContact CD1-CB 4.41Å; Y264-L283 HydrophobicContact CD1-CD2 3.83Å; Y264-L283 HydrophobicContact CE1-CD2 4.38Å; Y264-L283 PolarHBondContact O-N 3.33Å
265H95.6Very high89.2Confident42 Ų4275.9 Ų75.919%0.19438%0.376CS..EExtended strand (participates in β ladder)trans-135117.8178.6-173.2-161.1000110.2V261 T262 S280 L281 Q282V261-H265 HydrophobicContact CB-CB 4.2Å; V261-H265 PolarHBondContact N-O 3.21Å; T262-H265 HydrophobicContact CG2-CB 4.25Å; T262-H265 PolarHBondContact N-O 3.49Å; T262-H265 CarbonylContact O-C 3.59Å; T262-H265 PolarHBondContact O-N 2.94Å; T262-H265 WeakPolarHBondContact OG1-CB 3.4Å; T262-H265 PolarHBondContact OG1-N 2.93Å; T262-H265 VanDerWaalsContact OG1-N 3.13Å; H265-S280 PolarHBondContact CD2-OG 3.37Å; H265-S280 PolarHBondContact NE2-OG 3.07Å; H265-L281 WeakPolarHBondContact CA-O 3.39Å; H265-L281 PolarHBondContact CD2-O 2.94Å; H265-Q282 PolarHBondContact CD2-OE1 3.37Å
266V96.2Very high88.1Confident0 Ų072.7 Ų72.70%036%0.36CS..EExtended strand (participates in β ladder)trans-134.4134.2-174.1-1770000109.7M244 F248 M251 W258 I260 V268 L281M244-V266 HydrophobicContact CE-CG2 3.79Å; F248-V266 HydrophobicContact CE1-CG1 4.3Å; F248-V266 HydrophobicContact CE1-CG2 3.73Å; F248-V266 HydrophobicContact CZ-CG2 3.8Å; M251-V266 HydrophobicContact CE-CG1 4.27Å; W258-V266 HydrophobicContact CB-CG1 3.58Å; W258-V266 HydrophobicContact CG-CG1 3.99Å; I260-V266 HydrophobicContact CG1-CG2 4.36Å; V266-V268 HydrophobicContact CG1-CG2 4.11Å; V266-L281 PolarHBondContact N-O 3.05Å; V266-L281 PolarHBondContact O-N 3.44Å
267I95.6Very high87.5Confident53 Ų5372.2 Ų72.227%0.27236%0.359SS..EExtended strand (participates in β ladder)trans-98.3131.8171.2-62.2173.2000108.2W258 K259 V261 M279 L298W258-I267 CarbonylContact C-O 3.48Å; W258-I267 WeakPolarHBondContact CA-O 3.41Å; W258-I267 WeakPolarHBondContact CB-O 3.34Å; K259-I267 PolarHBondContact N-O 3.5Å; K259-I267 PolarHBondContact O-N 2.89Å; V261-I267 HydrophobicContact CG2-CD1 3.72Å; V261-I267 HydrophobicContact CG2-CG1 3.85Å; I267-M279 CarbonylContact C-O 3.58Å; I267-M279 WeakPolarHBondContact CA-O 3.14Å; I267-L298 HydrophobicContact CD1-CD1 4.31Å; I267-L298 HydrophobicContact CG1-CD1 4.14Å; I267-L298 HydrophobicContact CG2-CD1 3.75Å
268V94.5Very high87.3Confident1 Ų172.8 Ų72.81%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-124.8140.5-170.9-168.90000109.7M251 F256 E257 W258 V266 K278 M279 L281M251-V268 HydrophobicContact SD-CB 4.3Å; M251-V268 HydrophobicContact SD-CG1 3.85Å; M251-V268 HydrophobicContact SD-CG2 3.4Å; M251-V268 WeakPolarHBondContact SD-CG2 3.46Å; F256-V268 HydrophobicContact CB-CG1 3.71Å; F256-V268 HydrophobicContact CD2-CG1 3.77Å; F256-V268 HydrophobicContact CG-CG1 4Å; E257-V268 CarbonylContact O-C 3.59Å; E257-V268 WeakPolarHBondContact O-CA 3.45Å; W258-V268 HydrophobicContact CB-CG2 4.24Å; V266-V268 HydrophobicContact CG1-CG2 4.11Å; V268-K278 WeakPolarHBondContact O-CA 3.46Å; V268-M279 HydrophobicContact CB-CE 3.83Å; V268-M279 HydrophobicContact CB-CG 3.86Å; V268-M279 HydrophobicContact CG1-CE 3.73Å; V268-M279 HydrophobicContact CG2-CE 4.22Å; V268-M279 HydrophobicContact CG2-CG 4.49Å; V268-M279 PolarHBondContact N-O 2.9Å; V268-M279 PolarHBondContact O-N 3.04Å; V268-L281 HydrophobicContact CG2-CD1 3.66Å; V268-L281 HydrophobicContact CG2-CG 3.86Å
269R92Very high87.3Confident121 Ų12168.7 Ų68.746%0.45735%0.345SS..EExtended strand (participates in β ladder)trans-132.9152.6170.370.7178.8-168.1164.63.8110.1F256 E257 K278F256-R269 WeakPolarHBondContact CA-O 3.46Å; E257-R269 HydrophobicContact CB-CG 3.86Å; E257-R269 PolarHBondContact N-O 3.13Å; E257-R269 PolarHBondContact O-N 3.02Å; E257-R269 VanDerWaalsContact O-O 3.13Å; E257-R269 IonicContact OE2-CZ 3.14Å; E257-R269 IonicContact OE2-NE 2.78Å; E257-R269 PolarHBondContact OE2-NE 3.39Å; E257-R269 IonicContact OE2-NH2 2.63Å; E257-R269 PolarHBondContact OE2-NH2 3.34Å; R269-K278 HydrophobicContact CB-CG 4.43Å
270S87.3Confident87.3Confident20 Ų2062.1 Ų62.114%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-76.5136.6169.8-169.80000109.8N272 T276S270-N272 VanDerWaalsContact C-N 3.34Å; S270-T276 VanDerWaalsContact CB-OG1 3.23Å; S270-T276 WeakPolarHBondContact CB-OG1 3.42Å
271R82.3Confident87.3Confident160 Ų16057.7 Ų57.760%0.60430%0.295SS*.SBendtrans-72.7-29.9175.8-173168.5-176.4-161.4-2.4113N255 E257 N273N255-R271 WeakPolarHBondContact O-CB 3.23Å; N255-R271 PolarHBondContact O-N 3.1Å; E257-R271 HydrophobicContact CG-CB 4.06Å; E257-R271 HydrophobicContact CG-CG 4.25Å; E257-R271 VanDerWaalsContact OE1-CD 3.25Å; E257-R271 WeakPolarHBondContact OE1-CD 3.32Å; E257-R271 VanDerWaalsContact OE1-CG 3.28Å; E257-R271 WeakPolarHBondContact OE1-CG 3.22Å; E257-R271 IonicContact OE1-NE 3.48Å; E257-R271 PolarHBondContact OE1-NE 3.44Å; R271-N273 VanDerWaalsContact C-N 3.34Å; R271-N273 PolarHBondContact O-N 3.27Å
272N73.7Confident87.4Confident125 Ų12554.7 Ų54.767%0.66828%0.276SS*.SBendtrans-86.3-5.1-165.9-68.8-9.9000113.7S270S270-N272 VanDerWaalsContact C-N 3.34Å
273N69.7Low87.5Confident64 Ų6452 Ų5234%0.34226%0.259SS..  trans-155106.4-174.2-172.33.3000110.8R271 V275 T276R271-N273 VanDerWaalsContact C-N 3.34Å; R271-N273 PolarHBondContact O-N 3.27Å; N273-V275 PolarHBondContact O-N 3.34Å; N273-V275 VanDerWaalsContact O-N 3.11Å; N273-V275 WeakPolarHBondContact OD1-CB 3.35Å; N273-V275 PolarHBondContact OD1-N 3.32Å; N273-V275 VanDerWaalsContact OD1-N 3.15Å; N273-T276 HydrophobicContact CB-CG2 3.68Å; N273-T276 WeakPolarHBondContact O-CB 3.46Å; N273-T276 PolarHBondContact O-N 3.23Å; N273-T276 PolarHBondContact O-OG1 3.35Å
274D67.9Low87.4Confident154 Ų15448.9 Ų48.982%0.82424%0.236SC*.THydrogen-bonded Turntrans-61.7-17177.7-76.2-32.4000113T276D274-T276 VanDerWaalsContact C-N 3.32Å
275V72.4Confident87.3Confident86 Ų8649.3 Ų49.352%0.52124%0.24SC..THydrogen-bonded Turntrans-83.4-8.6177.5-169.30000112.3N273 Q353N273-V275 PolarHBondContact O-N 3.34Å; N273-V275 VanDerWaalsContact O-N 3.11Å; N273-V275 WeakPolarHBondContact OD1-CB 3.35Å; N273-V275 PolarHBondContact OD1-N 3.32Å; N273-V275 VanDerWaalsContact OD1-N 3.15Å; V275-Q353 PolarHBondContact O-NE2 2.98Å
276T70.6Confident87Confident21 Ų2149.3 Ų49.313%0.12924%0.242CC..SBendtrans-71.6138.5-178.453.20000112.5S270 N273 D274 L356S270-T276 VanDerWaalsContact CB-OG1 3.23Å; S270-T276 WeakPolarHBondContact CB-OG1 3.42Å; N273-T276 HydrophobicContact CB-CG2 3.68Å; N273-T276 WeakPolarHBondContact O-CB 3.46Å; N273-T276 PolarHBondContact O-N 3.23Å; N273-T276 PolarHBondContact O-OG1 3.35Å; D274-T276 VanDerWaalsContact C-N 3.32Å; T276-L356 HydrophobicContact CG2-CD2 4.47Å
277P82.1Confident86.5Confident7 Ų754.4 Ų54.45%0.04527%0.27CS..PPolyproline II helixtrans-63.5148.8176.727.2-32.8000110L356 F357 M360P277-L356 VanDerWaalsContact CD-CB 3.49Å; P277-L356 HydrophobicContact CG-CB 3.89Å; P277-F357 HydrophobicContact CG-CB 4.03Å; P277-M360 HydrophobicContact CG-SD 4.41Å; P277-M360 VanDerWaalsContact O-SD 3.33Å
278K91Very high85.9Confident73 Ų7360.3 Ų60.332%0.31730%0.296SS..EExtended strand (participates in β ladder)trans-75.8146.2167.7-64.7169-166.5133.70108.2V268 R269 L298 D300V268-K278 WeakPolarHBondContact O-CA 3.46Å; R269-K278 HydrophobicContact CB-CG 4.43Å; K278-L298 HydrophobicContact CB-CB 3.91Å; K278-L298 HydrophobicContact CB-CD1 4.14Å; K278-L298 WeakPolarHBondContact O-CA 3.19Å; K278-L298 WeakPolarHBondContact O-CB 3.41Å; K278-L298 PolarHBondContact O-N 2.93Å; K278-D300 VanDerWaalsContact NZ-CG 3.3Å; K278-D300 IonicContact NZ-OD1 3.11Å; K278-D300 PolarHBondContact NZ-OD1 3.43Å; K278-D300 IonicContact NZ-OD2 3.37Å; K278-D300 PolarHBondContact NZ-OD2 3.27Å
279M93.8Very high85.5Confident1 Ų170 Ų701%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-125.7147170.668.7175.4179.800110.9F256 I267 V268 L281 K296 F357 M360 L364F256-M279 HydrophobicContact CD2-CE 4.24Å; F256-M279 HydrophobicContact CE2-CE 4.02Å; I267-M279 CarbonylContact C-O 3.58Å; I267-M279 WeakPolarHBondContact CA-O 3.14Å; V268-M279 HydrophobicContact CB-CE 3.83Å; V268-M279 HydrophobicContact CB-CG 3.86Å; V268-M279 HydrophobicContact CG1-CE 3.73Å; V268-M279 HydrophobicContact CG2-CE 4.22Å; V268-M279 HydrophobicContact CG2-CG 4.49Å; V268-M279 PolarHBondContact N-O 2.9Å; V268-M279 PolarHBondContact O-N 3.04Å; M279-L281 HydrophobicContact CE-CD1 4.5Å; M279-L281 HydrophobicContact CE-CD2 4.33Å; M279-L281 HydrophobicContact SD-CD2 4.26Å; M279-K296 CarbonylContact C-O 3.57Å; M279-K296 WeakPolarHBondContact CA-O 3.47Å; M279-F357 HydrophobicContact CB-CD2 4.13Å; M279-F357 HydrophobicContact CB-CE2 4.03Å; M279-M360 HydrophobicContact CE-CE 4.15Å; M279-M360 HydrophobicContact CG-CE 4.11Å; M279-M360 HydrophobicContact SD-CB 4.16Å; M279-M360 HydrophobicContact SD-CE 4.22Å; M279-L364 HydrophobicContact CE-CD2 3.8Å
280S95.6Very high85.5Confident12 Ų1265 Ų658%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-104.1129.4173.8169.80000109.4H265 K296H265-S280 PolarHBondContact CD2-OG 3.37Å; H265-S280 PolarHBondContact NE2-OG 3.07Å; S280-K296 PolarHBondContact N-O 3.42Å; S280-K296 PolarHBondContact O-N 3.19Å
281L96.7Very high85.9Confident1 Ų166.1 Ų66.11%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-108.8123.3173.7-58.4-176.7000109.6V247 M251 H265 V266 V268 M279 L293 D294 F295 L364V247-L281 HydrophobicContact CG1-CD1 3.92Å; M251-L281 HydrophobicContact SD-CD1 3.86Å; H265-L281 WeakPolarHBondContact CA-O 3.39Å; H265-L281 PolarHBondContact CD2-O 2.94Å; V266-L281 PolarHBondContact N-O 3.05Å; V266-L281 PolarHBondContact O-N 3.44Å; V268-L281 HydrophobicContact CG2-CD1 3.66Å; V268-L281 HydrophobicContact CG2-CG 3.86Å; M279-L281 HydrophobicContact CE-CD1 4.5Å; M279-L281 HydrophobicContact CE-CD2 4.33Å; M279-L281 HydrophobicContact SD-CD2 4.26Å; L281-L293 HydrophobicContact CB-CD1 4.28Å; L281-D294 WeakPolarHBondContact CA-O 3.33Å; L281-F295 HydrophobicContact CD2-CD1 3.32Å; L281-F295 HydrophobicContact CD2-CE1 3.67Å; L281-F295 HydrophobicContact CD2-CG 4.02Å; L281-L364 HydrophobicContact CD1-CD2 3.54Å; L281-L364 HydrophobicContact CD2-CD2 4.24Å
282Q95.7Very high86.5Confident9 Ų958.5 Ų58.54%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-130124.3-179.1179.265.258.900110.6F3 Y264 H265 Y284 D294F3-Q282 HydrophobicContact CD1-CG 4.39Å; F3-Q282 HydrophobicContact CE1-CG 4.1Å; Y264-Q282 WeakPolarHBondContact O-CA 3.49Å; Y264-Q282 PolarHBondContact O-NE2 3.02Å; Y264-Q282 VanDerWaalsContact O-NE2 3.08Å; H265-Q282 PolarHBondContact CD2-OE1 3.37Å; Q282-Y284 HydrophobicContact CB-CD2 4.5Å; Q282-Y284 HydrophobicContact CB-CE2 3.87Å; Q282-Y284 HydrophobicContact CG-CD1 4.35Å; Q282-Y284 HydrophobicContact CG-CD2 3.95Å; Q282-Y284 HydrophobicContact CG-CE1 3.8Å; Q282-Y284 HydrophobicContact CG-CE2 3.37Å; Q282-Y284 HydrophobicContact CG-CG 4.43Å; Q282-Y284 WeakPolarHBondContact CG-OH 3.49Å; Q282-D294 PolarHBondContact N-O 3.07Å; Q282-D294 VanDerWaalsContact N-O 3.12Å; Q282-D294 PolarHBondContact O-N 3.03Å
283L95.6Very high87.6Confident1 Ų152.7 Ų52.71%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-88130.2172-163.473.6000110V4 A240 I243 M244 Y264 Y291 L292 L293V4-L283 HydrophobicContact CG2-CD2 4.3Å; V4-L283 HydrophobicContact CG2-CG 4.27Å; A240-L283 HydrophobicContact CB-CD2 3.83Å; I243-L283 HydrophobicContact CB-CD2 4.47Å; I243-L283 HydrophobicContact CD1-CD1 4.47Å; I243-L283 HydrophobicContact CG2-CD1 3.8Å; I243-L283 HydrophobicContact CG2-CD2 4.43Å; M244-L283 HydrophobicContact CG-CD2 4.25Å; M244-L283 HydrophobicContact SD-CB 4.1Å; M244-L283 HydrophobicContact SD-CD2 4.31Å; Y264-L283 HydrophobicContact CD1-CB 4.41Å; Y264-L283 HydrophobicContact CD1-CD2 3.83Å; Y264-L283 HydrophobicContact CE1-CD2 4.38Å; Y264-L283 PolarHBondContact O-N 3.33Å; L283-Y291 HydrophobicContact CD2-CD1 4.37Å; L283-Y291 HydrophobicContact CD2-CG 4.5Å; L283-L292 CarbonylContact C-O 3.53Å; L283-L292 WeakPolarHBondContact CA-O 3.27Å; L283-L293 HydrophobicContact CD1-CB 4.1Å; L283-L293 HydrophobicContact CD1-CD1 4.29Å
284Y92.8Very high88.9Confident28 Ų2850.9 Ų50.911%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-118.9144.9177-69.6-72.2000110.8M1 R2 F3 L13 Q282 Y291 L292 D294M1-Y284 HydrophobicContact CB-CD1 3.93Å; M1-Y284 HydrophobicContact CB-CG 3.98Å; M1-Y284 HydrophobicContact CG-CG 4.24Å; M1-Y284 HydrophobicContact SD-CD2 4.2Å; M1-Y284 HydrophobicContact SD-CG 4.2Å; R2-Y284 WeakPolarHBondContact O-CA 3.4Å; F3-Y284 HydrophobicContact CD1-CD1 4.39Å; F3-Y284 AromaticContact CD1-CE1 3.83Å; F3-Y284 HydrophobicContact CD1-CE1 3.83Å; F3-Y284 AromaticContact CE1-CE1 3.83Å; F3-Y284 HydrophobicContact CE1-CE1 3.83Å; F3-Y284 HydrophobicContact CG-CE1 4.37Å; F3-Y284 HydrophobicContact CZ-CE1 4.39Å; L13-Y284 HydrophobicContact CD1-CE1 3.48Å; L13-Y284 VanDerWaalsContact CD1-CE1 3.48Å; L13-Y284 VanDerWaalsContact CD1-OH 3.27Å; L13-Y284 WeakPolarHBondContact CD1-OH 3.44Å; Q282-Y284 HydrophobicContact CB-CD2 4.5Å; Q282-Y284 HydrophobicContact CB-CE2 3.87Å; Q282-Y284 HydrophobicContact CG-CD1 4.35Å; Q282-Y284 HydrophobicContact CG-CD2 3.95Å; Q282-Y284 HydrophobicContact CG-CE1 3.8Å; Q282-Y284 HydrophobicContact CG-CE2 3.37Å; Q282-Y284 HydrophobicContact CG-CG 4.43Å; Q282-Y284 WeakPolarHBondContact CG-OH 3.49Å; Y284-Y291 CarbonylContact O-C 3.59Å; Y284-Y291 WeakPolarHBondContact O-CA 3.46Å; Y284-L292 HydrophobicContact CD2-CD2 4.28Å; Y284-L292 PolarHBondContact N-O 3.46Å; Y284-L292 PolarHBondContact O-N 3.43Å; Y284-D294 HydrophobicContact CD2-CB 3.98Å; Y284-D294 HydrophobicContact CE2-CB 3.76Å
285E92.6Very high90.2Very high57 Ų5744.8 Ų44.827%0.26622%0.215SC..EExtended strand (participates in β ladder)trans-84124164.2-168.4-175.6-174.200108.8R2 V4 D287 Y291R2-E285 PolarHBondContact N-O 3.37Å; R2-E285 PolarHBondContact O-N 3.35Å; V4-E285 HydrophobicContact CG2-CB 4.32Å; E285-D287 WeakPolarHBondContact CG-O 3.49Å; E285-Y291 HydrophobicContact CB-CD1 4.24Å; E285-Y291 HydrophobicContact CB-CE1 4.16Å; E285-Y291 HydrophobicContact CG-CD1 4.43Å; E285-Y291 HydrophobicContact CG-CE1 4.09Å
286V88.8Confident91.2Very high41 Ų4146.7 Ų46.725%0.24822%0.216CC..EExtended strand (participates in β ladder)trans-92.8-53.5176-177.20000109.4M1 S290 L292M1-V286 HydrophobicContact CE-CG2 4Å; M1-V286 HydrophobicContact CG-CG2 4.37Å; V286-S290 PolarHBondContact N-O 3.13Å; V286-L292 HydrophobicContact CG2-CB 3.54Å; V286-L292 HydrophobicContact CG2-CD1 4.47Å
287D85.9Confident92.2Very high107 Ų10747.8 Ų47.857%0.57223%0.225SC*.EExtended strand (participates in β ladder)trans-139.5171.1179.1-62.8-47.6000109.1E285 R289 S290E285-D287 WeakPolarHBondContact CG-O 3.49Å; D287-R289 PolarHBondContact O-N 2.83Å; D287-S290 PolarHBondContact N-O 3.27Å; D287-S290 PolarHBondContact O-N 2.89Å
288Q83.4Confident92.5Very high177 Ų17749.8 Ų49.883%0.82723%0.234SC*.THydrogen-bonded Turntrans-53-15.3-175-65.1-179.97.100115.8
289R85.6Confident91.6Very high204 Ų20449.6 Ų49.677%0.7725%0.247SC*.THydrogen-bonded Turntrans-140.218.4-179.4-60.5-173.8178.9-171.1-0.8113.1Q237 D287Q237-R289 WeakPolarHBondContact CA-O 3.24Å; D287-R289 PolarHBondContact O-N 2.83Å
290S92.2Very high90Very high18 Ų1853.7 Ų53.713%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-135.4125.3-178.8-171.20000110V286 D287V286-S290 PolarHBondContact N-O 3.13Å; D287-S290 PolarHBondContact N-O 3.27Å; D287-S290 PolarHBondContact O-N 2.89Å
291Y95.1Very high87.9Confident42 Ų4261 Ų6117%0.16531%0.306CS..EExtended strand (participates in β ladder)trans-111153.3174.8-58.2-83.6000110.3V4 R235 S236 S238 A240 I243 L283 Y284 E285V4-Y291 HydrophobicContact CG2-CD1 3.81Å; V4-Y291 HydrophobicContact CG2-CE1 3.96Å; R235-Y291 VanDerWaalsContact CA-O 3.28Å; R235-Y291 WeakPolarHBondContact CA-O 3.39Å; S236-Y291 PolarHBondContact N-O 2.97Å; S236-Y291 PolarHBondContact O-N 3.41Å; S238-Y291 VanDerWaalsContact O-CD2 3.23Å; S238-Y291 WeakPolarHBondContact O-CD2 3.33Å; S238-Y291 WeakPolarHBondContact O-CE2 3.4Å; A240-Y291 HydrophobicContact CB-CD1 4.24Å; A240-Y291 HydrophobicContact CB-CE1 3.88Å; A240-Y291 HydrophobicContact CB-CE2 4.34Å; I243-Y291 HydrophobicContact CD1-CD2 3.82Å; I243-Y291 HydrophobicContact CD1-CG 4.02Å; L283-Y291 HydrophobicContact CD2-CD1 4.37Å; L283-Y291 HydrophobicContact CD2-CG 4.5Å; Y284-Y291 CarbonylContact O-C 3.59Å; Y284-Y291 WeakPolarHBondContact O-CA 3.46Å; E285-Y291 HydrophobicContact CB-CD1 4.24Å; E285-Y291 HydrophobicContact CB-CE1 4.16Å; E285-Y291 HydrophobicContact CG-CD1 4.43Å; E285-Y291 HydrophobicContact CG-CE1 4.09Å
292L95.6Very high85.5Confident0 Ų067.5 Ų67.50%034%0.341CS..EExtended strand (participates in β ladder)trans-127.9126176.2178.8142.4000109.2M1 L232 I234 R235 L283 Y284 V286 D294M1-L292 HydrophobicContact CE-CB 4.03Å; M1-L292 HydrophobicContact CE-CD1 3.28Å; M1-L292 HydrophobicContact CE-CD2 3.63Å; M1-L292 HydrophobicContact CE-CG 3.82Å; M1-L292 HydrophobicContact SD-CD2 4.16Å; L232-L292 HydrophobicContact CB-CD1 4.37Å; L232-L292 HydrophobicContact CD2-CD2 4.24Å; L232-L292 HydrophobicContact CG-CD2 4.31Å; L232-L292 WeakPolarHBondContact O-CD1 3.37Å; I234-L292 CarbonylContact O-C 3.59Å; I234-L292 WeakPolarHBondContact O-CA 3.49Å; R235-L292 HydrophobicContact CG-CB 4.3Å; R235-L292 HydrophobicContact CG-CD1 3.92Å; R235-L292 HydrophobicContact CG-CG 4.35Å; L283-L292 CarbonylContact C-O 3.53Å; L283-L292 WeakPolarHBondContact CA-O 3.27Å; Y284-L292 HydrophobicContact CD2-CD2 4.28Å; Y284-L292 PolarHBondContact N-O 3.46Å; Y284-L292 PolarHBondContact O-N 3.43Å; V286-L292 HydrophobicContact CG2-CB 3.54Å; V286-L292 HydrophobicContact CG2-CD1 4.47Å; L292-D294 HydrophobicContact CD2-CB 3.99Å
293L96.3Very high83Confident4 Ų474.4 Ų74.42%0.02137%0.371CS..EExtended strand (participates in β ladder)trans-93.1115.2171.1-176.269.1000108.4G233 I234 V247 L281 L283 F295 L368G233-L293 VanDerWaalsContact CA-O 3.3Å; G233-L293 WeakPolarHBondContact CA-O 3.4Å; I234-L293 HydrophobicContact CD1-CD2 4.09Å; I234-L293 HydrophobicContact CG1-CB 3.87Å; I234-L293 HydrophobicContact CG1-CD2 4.26Å; I234-L293 PolarHBondContact N-O 2.97Å; I234-L293 VanDerWaalsContact N-O 3.08Å; I234-L293 PolarHBondContact O-N 3.29Å; V247-L293 HydrophobicContact CG2-CD2 3.71Å; L281-L293 HydrophobicContact CB-CD1 4.28Å; L283-L293 HydrophobicContact CD1-CB 4.1Å; L283-L293 HydrophobicContact CD1-CD1 4.29Å; L293-F295 HydrophobicContact CD2-CE2 4.29Å; L293-F295 HydrophobicContact CD2-CZ 3.89Å; L293-F295 HydrophobicContact CG-CE2 4.27Å; L293-F295 HydrophobicContact CG-CZ 4.32Å; L293-L368 HydrophobicContact CD2-CD1 4.2Å
294D96.2Very high80Confident26 Ų2681.7 Ų81.714%0.13941%0.41CS..EExtended strand (participates in β ladder)trans-94147.5177.5-17742.8000111.4L232 L281 Q282 Y284 L292L232-D294 WeakPolarHBondContact CD1-OD1 3.25Å; L281-D294 WeakPolarHBondContact CA-O 3.33Å; Q282-D294 PolarHBondContact N-O 3.07Å; Q282-D294 VanDerWaalsContact N-O 3.12Å; Q282-D294 PolarHBondContact O-N 3.03Å; Y284-D294 HydrophobicContact CD2-CB 3.98Å; Y284-D294 HydrophobicContact CE2-CB 3.76Å; L292-D294 HydrophobicContact CD2-CB 3.99Å
295F95.5Very high76.9Confident26 Ų2685.4 Ų85.411%0.11444%0.44CS..EExtended strand (participates in β ladder)trans-123.6117.5-179.4-59.4-105.7000108.6I234 L281 L293 F357 C361 L364 I365I234-F295 HydrophobicContact CD1-CE2 4.48Å; I234-F295 HydrophobicContact CD1-CZ 4.27Å; I234-F295 HydrophobicContact CG1-CE2 4.09Å; I234-F295 HydrophobicContact CG1-CZ 4.38Å; I234-F295 HydrophobicContact CG2-CE2 4.39Å; L281-F295 HydrophobicContact CD2-CD1 3.32Å; L281-F295 HydrophobicContact CD2-CE1 3.67Å; L281-F295 HydrophobicContact CD2-CG 4.02Å; L293-F295 HydrophobicContact CD2-CE2 4.29Å; L293-F295 HydrophobicContact CD2-CZ 3.89Å; L293-F295 HydrophobicContact CG-CE2 4.27Å; L293-F295 HydrophobicContact CG-CZ 4.32Å; F295-F357 HydrophobicContact CB-CZ 4.31Å; F295-C361 HydrophobicContact CD1-CB 4.25Å; F295-L364 HydrophobicContact CE1-CD2 4.02Å; F295-L364 HydrophobicContact CE1-CG 4.47Å; F295-I365 HydrophobicContact CE1-CG1 4.15Å; F295-I365 HydrophobicContact CE2-CD1 4.3Å; F295-I365 HydrophobicContact CE2-CG1 4.26Å; F295-I365 HydrophobicContact CZ-CD1 4.1Å; F295-I365 HydrophobicContact CZ-CG1 3.66Å
296K93.8Very high74.2Confident126 Ų12688.5 Ų88.555%0.54847%0.465SS..EExtended strand (participates in β ladder)trans-122.4126.5-179.2-179.3178.6180-176.70110.5M279 S280 L298M279-K296 CarbonylContact C-O 3.57Å; M279-K296 WeakPolarHBondContact CA-O 3.47Å; S280-K296 PolarHBondContact N-O 3.42Å; S280-K296 PolarHBondContact O-N 3.19Å; K296-L298 PolarHBondContact O-N 3.32Å
297S92Very high71.4Confident44 Ų4493 Ų9331%0.30849%0.493SS..EExtended strand (participates in β ladder)trans-66.3132.3170.5-172.40000109.7
298L88.6Confident69Low48 Ų4895.7 Ų95.725%0.25151%0.506SS..EExtended strand (participates in β ladder)trans-106.983.7167.2-55.7176.7000105.5I267 K278 K296 D300I267-L298 HydrophobicContact CD1-CD1 4.31Å; I267-L298 HydrophobicContact CG1-CD1 4.14Å; I267-L298 HydrophobicContact CG2-CD1 3.75Å; K278-L298 HydrophobicContact CB-CB 3.91Å; K278-L298 HydrophobicContact CB-CD1 4.14Å; K278-L298 WeakPolarHBondContact O-CA 3.19Å; K278-L298 WeakPolarHBondContact O-CB 3.41Å; K278-L298 PolarHBondContact O-N 2.93Å; K296-L298 PolarHBondContact O-N 3.32Å; L298-D300 PolarHBondContact O-N 3.01Å
299A72.1Confident66.4Low69 Ų6994.2 Ų94.257%0.5750%0.499SS*.  trans-61.7124.6168.900000106.9D301A299-D301 PolarHBondContact O-N 2.88Å
300D61Low63.8Low88 Ų8890.8 Ų90.847%0.47150%0.504SS..  trans-70.5125.9163.1-79.6-31.7000105.3K278 L298 L302K278-D300 VanDerWaalsContact NZ-CG 3.3Å; K278-D300 IonicContact NZ-OD1 3.11Å; K278-D300 PolarHBondContact NZ-OD1 3.43Å; K278-D300 IonicContact NZ-OD2 3.37Å; K278-D300 PolarHBondContact NZ-OD2 3.27Å; L298-D300 PolarHBondContact O-N 3.01Å; D300-L302 HydrophobicContact CB-CB 4.36Å; D300-L302 HydrophobicContact CB-CD1 3.88Å; D300-L302 HydrophobicContact CB-CG 4.26Å; D300-L302 PolarHBondContact O-N 3.48Å
301D49.8Very low61Low164 Ų16497.1 Ų97.188%0.87753%0.531SS*.  trans-67.541.7176.8-65.5-45.7000112.3A299 F303A299-D301 PolarHBondContact O-N 2.88Å; D301-F303 VanDerWaalsContact C-N 3.29Å; D301-F303 PolarHBondContact O-N 3.03Å
302L47.8Very low58.1Low138 Ų13899.3 Ų99.372%0.72355%0.552SS**  trans-89.123.2-171.7-90.2165.9000114D300D300-L302 HydrophobicContact CB-CB 4.36Å; D300-L302 HydrophobicContact CB-CD1 3.88Å; D300-L302 HydrophobicContact CB-CG 4.26Å; D300-L302 PolarHBondContact O-N 3.48Å
303F42.4Very low54.9Low154 Ų154104.5 Ų104.568%0.67559%0.589SS**SBendtrans-133.170.5171.1-79.1-85.2000110.7D301D301-F303 VanDerWaalsContact C-N 3.29Å; D301-F303 PolarHBondContact O-N 3.03Å
304D32Very low51.9Low154 Ų154111.8 Ų111.882%0.82463%0.627SS**SBendtrans170.784.3133.5-97.2-20.6000109.8
305S28.2Very low48.8Very low106 Ų106118.2 Ų118.274%0.74166%0.662SS**  trans-165.1111.5153.9-78.70000107.8T307S305-T307 PolarHBondContact O-N 3.08Å
306P35.1Very low45.9Very low122 Ų122124.5 Ų124.579%0.79270%0.696SS**  trans-65.4108.9164.529-30.8000106.4L308P306-L308 VanDerWaalsContact C-N 3.31Å; P306-L308 PolarHBondContact O-N 3.36Å
307T31.9Very low43.1Very low136 Ų136123.7 Ų123.783%0.83471%0.705SS**  trans-55.696.5165.444.80000108.6S305S305-T307 PolarHBondContact O-N 3.08Å
308L34.3Very low40.2Very low164 Ų164127.8 Ų127.886%0.85973%0.728SS**  trans-77.1118.2155.8-88.9156000106.2P306P306-L308 VanDerWaalsContact C-N 3.31Å; P306-L308 PolarHBondContact O-N 3.36Å
309E29.9Very low37.6Very low145 Ų145132.3 Ų132.368%0.67875%0.753SS**  trans-50.9142.2176.8-63.4-173.6150.800111.7Q311E309-Q311 VanDerWaalsContact C-N 3.34Å; E309-Q311 PolarHBondContact O-N 3.5Å; E309-Q311 PolarHBondContact OE2-NE2 3.19Å
310P29.8Very low35.8Very low133 Ų133133.9 Ų133.986%0.86476%0.759SS**  trans-76.787.3171.531.2-30.2000109.1S312P310-S312 PolarHBondContact O-N 2.95Å
311Q34.4Very low34.3Very low151 Ų151135.4 Ų135.471%0.70678%0.777SS**  trans-89.6101.1166.2-67.5-151.3-0.200110.7E309E309-Q311 VanDerWaalsContact C-N 3.34Å; E309-Q311 PolarHBondContact O-N 3.5Å; E309-Q311 PolarHBondContact OE2-NE2 3.19Å
312S34.6Very low33.8Very low87 Ų87132.7 Ų132.761%0.60877%0.771SS**  trans48.698.1137.960.90000118.2P310P310-S312 PolarHBondContact O-N 2.95Å
313S28.5Very low33.2Very low109 Ų109134.3 Ų134.376%0.76278%0.78SS**  27.9103.2121.758.40000117.3
314L33.3Very low32.7Very low157 Ų157130.2 Ų130.282%0.82278%0.782SS**  trans-139.699.8145-74.1178.6000109.8
315N30.8Very low32.9Very low162 Ų162134.6 Ų134.687%0.86679%0.787SS**  trans-63.1125154.9-75.6-28.1000107.8
316L32.9Very low33.2Very low158 Ų158133.9 Ų133.983%0.82778%0.781SS**  trans-118.988.8165-86.4150.5000108.5
317S35.3Very low33.1Very low108 Ų108137.6 Ų137.676%0.75579%0.785SS**  trans-67.7134.8159.247.10000110N319S317-N319 PolarHBondContact O-N 2.87Å
318V32.4Very low33.4Very low130 Ų130137.4 Ų137.479%0.78878%0.784SS**  trans-54123.1173.9-178.70000111.6
319N32.9Very low33.3Very low144 Ų144134.2 Ų134.277%0.7778%0.775SS**  trans-178.3120.9130.6-101-3.7000113.9S317S317-N319 PolarHBondContact O-N 2.87Å
320S34.2Very low33.6Very low101 Ų101132.4 Ų132.471%0.70678%0.779SS**  trans15.4116.9142.548.70000120.5
321S30.3Very low33.9Very low120 Ų120131.8 Ų131.884%0.83978%0.777SS**  trans-28133.2155.9-13.20000117.7
322S38.2Very low33.8Very low108 Ų108128.9 Ų128.976%0.75577%0.774SS**  -177.6119118.559.60000113.7
323N35.1Very low33.7Very low171 Ų171134 Ų13491%0.91479%0.791SS**  trans54.9120.4140.5-67.2-16.6000122.5
324G33.4Very low33.9Very low68 Ų68136.9 Ų136.970%0.70179%0.794SS**  138.4105.2123.100000117.9
325R35.3Very low34.1Very low247 Ų247137.2 Ų137.293%0.93280%0.795SS**  trans56.1145.3136.4-62.9176.8175.7178.8-1.9118.8
326S34.9Very low34.2Very low90 Ų90137 Ų13763%0.62979%0.794SS**  cis167.7147.9-6.564.40000107
327F33.9Very low34.5Very low200 Ų200135.8 Ų135.888%0.87779%0.793SS**  trans69.5144.1162.6-78.6-101.7000117.5
328V37.5Very low34.5Very low132 Ų132139.1 Ų139.180%0.880%0.796SS**  cis-154.5152.130.1-172.60000110.7
329S32Very low34.4Very low97 Ų97140 Ų14068%0.67880%0.796SS**  trans-64.7153.3172.1176.10000116.3
330S36.5Very low34.6Very low107 Ų107138.4 Ų138.475%0.74880%0.797SS**  176.3123.2121.2-75.90000114.2
331S35.9Very low34.6Very low120 Ų120143.6 Ų143.684%0.83980%0.801SS**  trans39.1148136.2-63.30000121.4
332S32.4Very low35Very low91 Ų91143.7 Ų143.764%0.63680%0.799SS**  cis170130.9-8.3173.40000103.8
333M32.5Very low34.7Very low195 Ų195144.4 Ų144.496%0.96180%0.799SS**  trans-157.1125.1147.6-77.7-152.1171.900109.4
334M31.9Very low34.8Very low169 Ų169142.9 Ų142.983%0.83380%0.795SS**  trans-81.2146.2-175.3-64.1174.2167.100112
335I38.6Very low34.9Very low163 Ų163146.3 Ų146.384%0.83680%0.796SS**  trans-132.1115.5152.3-62.6-179.5000106.4
336D31.7Very low34.8Very low158 Ų158139.8 Ų139.885%0.84579%0.788SS**  trans-65.2129.4168.8-94.9-56.8000110.2
337V39.7Very low34.9Very low132 Ų132142.5 Ų142.580%0.879%0.791SS**  trans-136.1114.6158.9172.60000107.5
338E35.3Very low35.4Very low179 Ų179135.3 Ų135.384%0.83677%0.773SS**  trans-56.3137.2179.2-88.2169.2124.400113.6S340E338-S340 PolarHBondContact O-N 3.39Å
339D31Very low36Very low147 Ų147135.6 Ų135.679%0.78678%0.778SS**  trans-64.3115.5169.4-175.817.3000110.7
340S37.4Very low37.6Very low111 Ų111136.4 Ų136.478%0.77677%0.771SS**  trans-132.199.2170.2-65.40000109E338E338-S340 PolarHBondContact O-N 3.39Å
341R33.5Very low39.3Very low211 Ų211135.9 Ų135.980%0.79676%0.757SS**  trans-45.1147.5176.5-68.8174.4175.7-173.8-3113.5T343R341-T343 PolarHBondContact O-N 3Å
342P37.5Very low41.6Very low122 Ų122133.1 Ų133.179%0.79274%0.737SS**  trans-71.1115.3171.829.7-30.3000109.6V344P342-V344 PolarHBondContact O-N 3.43Å
343T33.1Very low44.1Very low123 Ų123132.6 Ų132.676%0.75573%0.725SS**  trans-69.2110.8170-51.40000108.9R341 I345R341-T343 PolarHBondContact O-N 3Å; T343-I345 PolarHBondContact O-N 3.2Å
344V36.1Very low46.8Very low138 Ų138127.2 Ų127.284%0.83670%0.703SS**  trans-65.6100.7168.3177.80000107.9P342 S346P342-V344 PolarHBondContact O-N 3.43Å; V344-S346 PolarHBondContact O-N 2.86Å
345I36.9Very low49.5Very low140 Ų140123.8 Ų123.872%0.71869%0.686SS**  trans-75.4109.5171-61.7172.5000107T343 Q347T343-I345 PolarHBondContact O-N 3.2Å; I345-Q347 PolarHBondContact O-N 3.35Å
346S31.9Very low51.9Low110 Ų110116.4 Ų116.477%0.76965%0.648SS**  trans-55.8102.8168.7176.80000109.5V344 G348V344-S346 PolarHBondContact O-N 2.86Å; S346-G348 PolarHBondContact O-N 3.03Å
347Q38.7Very low54.8Low147 Ų147110 Ų11069%0.68761%0.613SS**  trans-69.5113172.9-66.7-177.5-500108.4I345I345-Q347 PolarHBondContact O-N 3.35Å
348G42.8Very low57.3Low49 Ų49109 Ų10951%0.50560%0.598SS.*  trans-58.5173.1165.200000111.1S346 Q350S346-G348 PolarHBondContact O-N 3.03Å; G348-Q350 PolarHBondContact O-N 2.83Å
349P50.4Low60Low138 Ų138104.7 Ų104.790%0.89658%0.578SS**  trans-54.3110.4-175.422.7-32.4000109.9Q351P349-Q351 PolarHBondContact O-N 3.48Å
350Q66.3Low62.9Low114 Ų11498.2 Ų98.253%0.53354%0.543SS..PPolyproline II helixtrans-60.3124.8178.8-71.5-174.9-3.200108.5G348G348-Q350 PolarHBondContact O-N 2.83Å
351Q72.3Confident65.7Low97 Ų9793.4 Ų93.445%0.45351%0.509SS..PPolyproline II helixtrans-65140.7176.9-166.8174.22.800109.6P349 Q353 L356 E359P349-Q351 PolarHBondContact O-N 3.48Å; Q351-Q353 PolarHBondContact O-N 2.99Å; Q351-L356 HydrophobicContact CB-CD1 4.27Å; Q351-L356 HydrophobicContact CB-CD2 4.47Å; Q351-L356 HydrophobicContact CB-CG 4.27Å; Q351-L356 VanDerWaalsContact CD-CD2 3.41Å; Q351-L356 HydrophobicContact CG-CD2 4.09Å; Q351-L356 HydrophobicContact CG-CG 4Å; Q351-E359 PolarHBondContact NE2-OE1 3.41Å; Q351-E359 PolarHBondContact NE2-OE2 3.12Å
352S84.2Confident68.6Low61 Ų6186.1 Ų86.143%0.42749%0.494SS..PPolyproline II helixtrans-58.1126.9179.6170.10000111.1T354 M355 L356S352-T354 PolarHBondContact O-N 3.35Å; S352-T354 PolarHBondContact OG-N 3.42Å; S352-M355 WeakPolarHBondContact O-CB 3.21Å; S352-M355 PolarHBondContact O-N 3.03Å; S352-L356 PolarHBondContact O-N 3.19Å
353Q84.4Confident71.3Confident81 Ų8182.9 Ų82.938%0.37947%0.474SS..Hα-helixtrans-54.5-39.5175.6-72.2-65.3-15.100112V275 Q351 M355 L356 F357V275-Q353 PolarHBondContact O-NE2 2.98Å; Q351-Q353 PolarHBondContact O-N 2.99Å; Q353-M355 PolarHBondContact O-N 3.47Å; Q353-L356 PolarHBondContact O-N 2.93Å; Q353-F357 WeakPolarHBondContact O-CB 3.4Å; Q353-F357 PolarHBondContact O-N 3.1Å
354T88.4Confident74.3Confident82 Ų8277 Ų7750%0.50344%0.438SS..Hα-helixtrans-62.7-42.1175.9-51.30000112S352 F357 F358S352-T354 PolarHBondContact O-N 3.35Å; S352-T354 PolarHBondContact OG-N 3.42Å; T354-F357 PolarHBondContact O-N 3.25Å; T354-F358 HydrophobicContact CG2-CD2 4.13Å; T354-F358 HydrophobicContact CG2-CE2 3.53Å; T354-F358 HydrophobicContact CG2-CZ 3.96Å; T354-F358 VanDerWaalsContact O-CD2 3.28Å; T354-F358 WeakPolarHBondContact O-CD2 3.32Å; T354-F358 WeakPolarHBondContact O-CG 3.35Å; T354-F358 PolarHBondContact O-N 2.89Å; T354-F358 VanDerWaalsContact O-N 3.09Å
355M89.4Confident77.1Confident96 Ų9673.5 Ų73.547%0.47341%0.414SS..Hα-helixtrans-67.3-43.2177.4-73.4-60.5-6000111.8S352 Q353 F357 F358 E359S352-M355 WeakPolarHBondContact O-CB 3.21Å; S352-M355 PolarHBondContact O-N 3.03Å; Q353-M355 PolarHBondContact O-N 3.47Å; M355-F357 VanDerWaalsContact C-N 3.3Å; M355-F357 PolarHBondContact O-N 3.36Å; M355-F358 PolarHBondContact O-N 2.91Å; M355-F358 VanDerWaalsContact O-N 3.12Å; M355-F358 HydrophobicContact SD-CD2 4.38Å; M355-E359 WeakPolarHBondContact O-CG 3.36Å; M355-E359 PolarHBondContact O-N 3.44Å
356L89.2Confident79.9Confident8 Ų869.2 Ų69.24%0.04240%0.4CS..Hα-helixtrans-59.2-42.1175.2-73.9172.4000111.9T276 P277 Q351 S352 Q353 F358 E359 M360T276-L356 HydrophobicContact CG2-CD2 4.47Å; P277-L356 VanDerWaalsContact CD-CB 3.49Å; P277-L356 HydrophobicContact CG-CB 3.89Å; Q351-L356 HydrophobicContact CB-CD1 4.27Å; Q351-L356 HydrophobicContact CB-CD2 4.47Å; Q351-L356 HydrophobicContact CB-CG 4.27Å; Q351-L356 VanDerWaalsContact CD-CD2 3.41Å; Q351-L356 HydrophobicContact CG-CD2 4.09Å; Q351-L356 HydrophobicContact CG-CG 4Å; S352-L356 PolarHBondContact O-N 3.19Å; Q353-L356 PolarHBondContact O-N 2.93Å; L356-F358 PolarHBondContact O-N 3.14Å; L356-E359 PolarHBondContact O-N 3.05Å; L356-M360 WeakPolarHBondContact O-CG 3.38Å; L356-M360 PolarHBondContact O-N 3.43Å
357F91.7Very high82.9Confident24 Ų2465.3 Ų65.311%0.10537%0.372CS..Hα-helixtrans-58.9-45.5173.5166.4-106.7000111.8P277 M279 F295 Q353 T354 M355 M360 C361P277-F357 HydrophobicContact CG-CB 4.03Å; M279-F357 HydrophobicContact CB-CD2 4.13Å; M279-F357 HydrophobicContact CB-CE2 4.03Å; F295-F357 HydrophobicContact CB-CZ 4.31Å; Q353-F357 WeakPolarHBondContact O-CB 3.4Å; Q353-F357 PolarHBondContact O-N 3.1Å; T354-F357 PolarHBondContact O-N 3.25Å; M355-F357 VanDerWaalsContact C-N 3.3Å; M355-F357 PolarHBondContact O-N 3.36Å; F357-M360 PolarHBondContact O-N 3.27Å; F357-C361 WeakPolarHBondContact CE2-SG 3.48Å; F357-C361 VanDerWaalsContact CZ-SG 3.52Å; F357-C361 PolarHBondContact O-N 2.93Å; F357-C361 PolarHBondContact O-SG 3.04Å
358F93Very high85.5Confident112 Ų11260.4 Ų60.449%0.49135%0.35SS..Hα-helixtrans-65.6-38.3177.2-67.5-38.6000113.1T354 M355 L356 C361 A362T354-F358 HydrophobicContact CG2-CD2 4.13Å; T354-F358 HydrophobicContact CG2-CE2 3.53Å; T354-F358 HydrophobicContact CG2-CZ 3.96Å; T354-F358 VanDerWaalsContact O-CD2 3.28Å; T354-F358 WeakPolarHBondContact O-CD2 3.32Å; T354-F358 WeakPolarHBondContact O-CG 3.35Å; T354-F358 PolarHBondContact O-N 2.89Å; T354-F358 VanDerWaalsContact O-N 3.09Å; M355-F358 PolarHBondContact O-N 2.91Å; M355-F358 VanDerWaalsContact O-N 3.12Å; M355-F358 HydrophobicContact SD-CD2 4.38Å; L356-F358 PolarHBondContact O-N 3.14Å; F358-C361 PolarHBondContact O-N 2.97Å; F358-A362 VanDerWaalsContact O-CB 3.23Å; F358-A362 WeakPolarHBondContact O-CB 3.45Å; F358-A362 PolarHBondContact O-N 2.83Å
359E92.1Very high87.7Confident88 Ų8862.3 Ų62.341%0.41136%0.361SS..Hα-helixtrans-63.6-41.4175.7-74.1174.4-17100112Q351 M355 L356 A362 S363Q351-E359 PolarHBondContact NE2-OE1 3.41Å; Q351-E359 PolarHBondContact NE2-OE2 3.12Å; M355-E359 WeakPolarHBondContact O-CG 3.36Å; M355-E359 PolarHBondContact O-N 3.44Å; L356-E359 PolarHBondContact O-N 3.05Å; E359-A362 PolarHBondContact O-N 3.44Å; E359-S363 WeakPolarHBondContact O-CB 3.22Å; E359-S363 PolarHBondContact O-N 3.27Å; E359-S363 PolarHBondContact O-OG 2.9Å
360M92.4Very high88.9Confident10 Ų1068.1 Ų68.15%0.04937%0.366CS..Hα-helixtrans-62.4-47.5173.9-73.9-177.763.900111.6F256 P277 M279 L356 F357 S363 L364F256-M360 HydrophobicContact CZ-CB 4.47Å; F256-M360 HydrophobicContact CZ-CG 4.45Å; P277-M360 HydrophobicContact CG-SD 4.41Å; P277-M360 VanDerWaalsContact O-SD 3.33Å; M279-M360 HydrophobicContact CE-CE 4.15Å; M279-M360 HydrophobicContact CG-CE 4.11Å; M279-M360 HydrophobicContact SD-CB 4.16Å; M279-M360 HydrophobicContact SD-CE 4.22Å; L356-M360 WeakPolarHBondContact O-CG 3.38Å; L356-M360 PolarHBondContact O-N 3.43Å; F357-M360 PolarHBondContact O-N 3.27Å; M360-S363 PolarHBondContact O-N 2.75Å; M360-L364 PolarHBondContact O-N 3.44Å; M360-L364 VanDerWaalsContact O-N 3.15Å
361C94.9Very high90.1Very high11 Ų1165.9 Ų65.97%0.07436%0.357CS..Hα-helixtrans-60.8-47.3176.7-680000111.4F295 F357 F358 S363 L364 I365F295-C361 HydrophobicContact CD1-CB 4.25Å; F357-C361 WeakPolarHBondContact CE2-SG 3.48Å; F357-C361 VanDerWaalsContact CZ-SG 3.52Å; F357-C361 PolarHBondContact O-N 2.93Å; F357-C361 PolarHBondContact O-SG 3.04Å; F358-C361 PolarHBondContact O-N 2.97Å; C361-S363 PolarHBondContact O-N 3.32Å; C361-L364 PolarHBondContact O-N 2.85Å; C361-I365 HydrophobicContact CB-CD1 4.46Å; C361-I365 WeakPolarHBondContact O-CB 3.33Å; C361-I365 WeakPolarHBondContact O-CD1 3.24Å; C361-I365 WeakPolarHBondContact O-CG1 3.46Å; C361-I365 PolarHBondContact O-N 3.22Å
362A94.6Very high91Very high57 Ų5764.2 Ų64.247%0.47135%0.352SS..Hα-helixtrans-61.3-43.2-179.300000112F358 E359 L364 I365 A366F358-A362 VanDerWaalsContact O-CB 3.23Å; F358-A362 WeakPolarHBondContact O-CB 3.45Å; F358-A362 PolarHBondContact O-N 2.83Å; E359-A362 PolarHBondContact O-N 3.44Å; A362-L364 VanDerWaalsContact C-N 3.35Å; A362-L364 PolarHBondContact O-N 2.87Å; A362-I365 PolarHBondContact O-N 3.18Å; A362-A366 WeakPolarHBondContact O-CB 3.17Å; A362-A366 PolarHBondContact O-N 3.19Å
363S94.4Very high91.4Very high55 Ų5564.4 Ų64.439%0.38535%0.348SS..Hα-helixtrans-60.6-44.6177-60.10000111.6E359 M360 C361 S367E359-S363 WeakPolarHBondContact O-CB 3.22Å; E359-S363 PolarHBondContact O-N 3.27Å; E359-S363 PolarHBondContact O-OG 2.9Å; M360-S363 PolarHBondContact O-N 2.75Å; C361-S363 PolarHBondContact O-N 3.32Å; S363-S367 PolarHBondContact O-N 2.7Å; S363-S367 VanDerWaalsContact O-N 3.08Å
364L95.7Very high91.8Very high0 Ų063.4 Ų63.40%035%0.346CS..Hα-helixtrans-67.9-46.8178.3-175.555.7000112.2A250 M251 L254 F256 M279 L281 F295 M360 C361 A362 A366 S367 L368A250-L364 HydrophobicContact CB-CD1 3.64Å; M251-L364 HydrophobicContact CG-CD1 3.82Å; M251-L364 HydrophobicContact CG-CD2 4.21Å; L254-L364 HydrophobicContact CD1-CB 4.2Å; L254-L364 HydrophobicContact CD1-CD1 4.15Å; F256-L364 HydrophobicContact CE2-CB 4.4Å; M279-L364 HydrophobicContact CE-CD2 3.8Å; L281-L364 HydrophobicContact CD1-CD2 3.54Å; L281-L364 HydrophobicContact CD2-CD2 4.24Å; F295-L364 HydrophobicContact CE1-CD2 4.02Å; F295-L364 HydrophobicContact CE1-CG 4.47Å; M360-L364 PolarHBondContact O-N 3.44Å; M360-L364 VanDerWaalsContact O-N 3.15Å; C361-L364 PolarHBondContact O-N 2.85Å; A362-L364 VanDerWaalsContact C-N 3.35Å; A362-L364 PolarHBondContact O-N 2.87Å; L364-A366 VanDerWaalsContact C-N 3.33Å; L364-A366 PolarHBondContact O-N 3.21Å; L364-S367 PolarHBondContact O-N 3.41Å; L364-S367 VanDerWaalsContact O-N 3.16Å; L364-L368 HydrophobicContact CD1-CD1 4.25Å; L364-L368 HydrophobicContact CD1-CG 4.38Å; L364-L368 HydrophobicContact CG-CD1 4.08Å; L364-L368 WeakPolarHBondContact O-CG 3.24Å; L364-L368 PolarHBondContact O-N 3.45Å
365I96Very high92Very high63 Ų6362.3 Ų62.332%0.32334%0.337SS..Hα-helixtrans-60.2-43.9177.5-68.8165.4000110.6I234 F295 C361 A362 S367 L368 A369I234-I365 HydrophobicContact CG2-CD1 4.33Å; I234-I365 HydrophobicContact CG2-CG1 4.16Å; I234-I365 HydrophobicContact CG2-CG2 4.33Å; F295-I365 HydrophobicContact CE1-CG1 4.15Å; F295-I365 HydrophobicContact CE2-CD1 4.3Å; F295-I365 HydrophobicContact CE2-CG1 4.26Å; F295-I365 HydrophobicContact CZ-CD1 4.1Å; F295-I365 HydrophobicContact CZ-CG1 3.66Å; C361-I365 HydrophobicContact CB-CD1 4.46Å; C361-I365 WeakPolarHBondContact O-CB 3.33Å; C361-I365 WeakPolarHBondContact O-CD1 3.24Å; C361-I365 WeakPolarHBondContact O-CG1 3.46Å; C361-I365 PolarHBondContact O-N 3.22Å; A362-I365 PolarHBondContact O-N 3.18Å; I365-S367 VanDerWaalsContact C-N 3.28Å; I365-S367 PolarHBondContact O-N 3.5Å; I365-L368 PolarHBondContact O-N 2.97Å; I365-L368 VanDerWaalsContact O-N 3.16Å; I365-A369 WeakPolarHBondContact O-CB 3.4Å; I365-A369 PolarHBondContact O-N 3.48Å
366A95Very high92.2Very high50 Ų5060 Ų6041%0.41333%0.327SS..Hα-helixtrans-64.9-32.1177.800000112.7A362 L364 R370A362-A366 WeakPolarHBondContact O-CB 3.17Å; A362-A366 PolarHBondContact O-N 3.19Å; L364-A366 VanDerWaalsContact C-N 3.33Å; L364-A366 PolarHBondContact O-N 3.21Å; A366-R370 WeakPolarHBondContact O-CG 3.48Å
367S95Very high92.4Very high28 Ų2863.7 Ų63.720%0.19635%0.348CS..Hα-helixtrans-74.3-29.3173.8-174.90000112.9A250 S363 L364 I365A250-S367 WeakPolarHBondContact CB-OG 3.44Å; S363-S367 PolarHBondContact O-N 2.7Å; S363-S367 VanDerWaalsContact O-N 3.08Å; L364-S367 PolarHBondContact O-N 3.41Å; L364-S367 VanDerWaalsContact O-N 3.16Å; I365-S367 VanDerWaalsContact C-N 3.28Å; I365-S367 PolarHBondContact O-N 3.5Å
368L94Very high92.5Very high44 Ų4466.8 Ų66.823%0.2337%0.367CS..Hα-helixtrans-82.2-21.6178.5-72.4170.7000113.5I234 E246 V247 A250 L293 L364 I365 R370I234-L368 HydrophobicContact CD1-CD1 3.8Å; E246-L368 HydrophobicContact CB-CD2 4.17Å; V247-L368 HydrophobicContact CG2-CD1 4.07Å; V247-L368 HydrophobicContact CG2-CD2 4.08Å; A250-L368 HydrophobicContact CB-CD2 3.9Å; A250-L368 HydrophobicContact CB-CG 4.11Å; L293-L368 HydrophobicContact CD2-CD1 4.2Å; L364-L368 HydrophobicContact CD1-CD1 4.25Å; L364-L368 HydrophobicContact CD1-CG 4.38Å; L364-L368 HydrophobicContact CG-CD1 4.08Å; L364-L368 WeakPolarHBondContact O-CG 3.24Å; L364-L368 PolarHBondContact O-N 3.45Å; I365-L368 PolarHBondContact O-N 2.97Å; I365-L368 VanDerWaalsContact O-N 3.16Å; L368-R370 VanDerWaalsContact C-N 3.35Å
369A87.5Confident92.4Very high89 Ų8963 Ų6374%0.73636%0.356SS*.  trans-85.5-7178.100000113.7I365I365-A369 WeakPolarHBondContact O-CB 3.4Å; I365-A369 PolarHBondContact O-N 3.48Å
370R77.4Confident92.4Very high261 Ų26160.7 Ų60.799%0.98535%0.351SS*.  trans-88.70173.4-69176.1-167.7-1414.3109.9A366 L368A366-R370 WeakPolarHBondContact O-CG 3.48Å; L368-R370 VanDerWaalsContact C-N 3.35Å

Retrieved 370 of 370 residues in 672.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).