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NADPH oxidase 4

NADPH oxidase that catalyzes predominantly the reduction of oxygen to H2O2. Can also catalyze to a smaller extent, the reduction of oxygen to superoxide. May function as an oxygen sensor regulating the KCNK3/TASK-1 potassium channel and HIF1A activity. May regulate insulin signaling cascade. May play a role in apoptosis, bone resorption and lipolysaccharide-mediated activation of NFKB. May produce superoxide in the nucleus and play a role in regulating gene expression upon cell stimulation. Promotes ferroptosis, reactive oxygen species production and reduced glutathione (GSH) levels by activating NLRP3 inflammasome activation and cytokine release.

AlphaFold DB , UniProt , Accession A0A061IAU5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nox4, Length 578 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.8Low74.2Confident183 Ų18389 Ų8990%0.90144%0.436SS*.  0119.90-78.9-177.2-77.500107.7
2A61.9Low74.9Confident75 Ų7583.7 Ų83.762%0.6241%0.409SS*.  trans-75.5135.4-173.500000111.2S4A2-S4 PolarHBondContact O-N 2.82Å
3V72.2Confident75.2Confident94 Ų9478 Ų7857%0.5739%0.386SS*.BIsolated β-bridgetrans-67.5128.1170175.20000108W5 W8V3-W5 PolarHBondContact O-N 3.37Å; V3-W8 HydrophobicContact CG1-CB 3.75Å; V3-W8 HydrophobicContact CG1-CG 4.18Å
4S78.8Confident75.4Confident26 Ų2675.7 Ų75.718%0.18238%0.378CS..  trans-71.1112.1174167.70000108.5A2 R6 S7 W8 N561A2-S4 PolarHBondContact O-N 2.82Å; S4-R6 PolarHBondContact O-N 3.39Å; S4-S7 WeakPolarHBondContact CB-OG 3.48Å; S4-S7 PolarHBondContact O-N 3.08Å; S4-S7 VanDerWaalsContact O-N 3.09Å; S4-S7 PolarHBondContact OG-N 3.27Å; S4-S7 PolarHBondContact OG-OG 3.08Å; S4-W8 WeakPolarHBondContact O-CB 3.45Å; S4-W8 PolarHBondContact O-N 2.78Å; S4-N561 PolarHBondContact N-O 3.48Å
5W78.1Confident75.9Confident181 Ų18175.6 Ų75.669%0.68637%0.374SS*.Hα-helixtrans-52.8-41.9177.6-179.4-103.5000112V3 W8 L9V3-W5 PolarHBondContact O-N 3.37Å; W5-W8 HydrophobicContact CE3-CE3 4.42Å; W5-W8 HydrophobicContact CH2-CZ3 4.25Å; W5-W8 HydrophobicContact CZ3-CE3 4.32Å; W5-W8 HydrophobicContact CZ3-CZ3 4.21Å; W5-L9 WeakPolarHBondContact O-CB 3.38Å; W5-L9 PolarHBondContact O-N 3.14Å
6R78.1Confident76.4Confident214 Ų21475.4 Ų75.481%0.80837%0.372SS*.Hα-helixtrans-66.8-39.7179.2-67.1-176.4177.5-171.2-0.1112.7S4 A10S4-R6 PolarHBondContact O-N 3.39Å; R6-A10 WeakPolarHBondContact O-CB 3.37Å; R6-A10 PolarHBondContact O-N 2.94Å
7S78.1Confident77Confident8 Ų877.1 Ų77.16%0.05638%0.382CS..Hα-helixtrans-72.2-43.2178.5-54.60000111S4 A10 N11S4-S7 WeakPolarHBondContact CB-OG 3.48Å; S4-S7 PolarHBondContact O-N 3.08Å; S4-S7 VanDerWaalsContact O-N 3.09Å; S4-S7 PolarHBondContact OG-N 3.27Å; S4-S7 PolarHBondContact OG-OG 3.08Å; S7-A10 PolarHBondContact O-N 3.11Å; S7-N11 PolarHBondContact O-N 3.11Å; S7-N11 VanDerWaalsContact O-N 3.11Å; S7-N11 PolarHBondContact O-ND2 2.93Å
8W82.3Confident77.5Confident78 Ų7875.1 Ų75.130%0.29538%0.376SS..Hα-helixtrans-61.8-46.9175.6-179.987.1000111.7V3 S4 W5 A10 N11 E12 G13 H16V3-W8 HydrophobicContact CG1-CB 3.75Å; V3-W8 HydrophobicContact CG1-CG 4.18Å; S4-W8 WeakPolarHBondContact O-CB 3.45Å; S4-W8 PolarHBondContact O-N 2.78Å; W5-W8 HydrophobicContact CE3-CE3 4.42Å; W5-W8 HydrophobicContact CH2-CZ3 4.25Å; W5-W8 HydrophobicContact CZ3-CE3 4.32Å; W5-W8 HydrophobicContact CZ3-CZ3 4.21Å; W8-A10 PolarHBondContact O-N 3.46Å; W8-N11 PolarHBondContact O-N 3.26Å; W8-N11 VanDerWaalsContact O-N 3.09Å; W8-E12 HydrophobicContact CD2-CB 4.47Å; W8-E12 HydrophobicContact CZ2-CB 4.24Å; W8-E12 PolarHBondContact O-N 3.44Å; W8-G13 PolarHBondContact O-N 2.86Å; W8-H16 AromaticContact CZ2-CD2 3.67Å
9L81.9Confident78.1Confident86 Ų8674.6 Ų74.645%0.4538%0.375SS..Iπ-helixtrans-60.7-34.3177.5-170.773.7000111.8W5 G13W5-L9 WeakPolarHBondContact O-CB 3.38Å; W5-L9 PolarHBondContact O-N 3.14Å; L9-G13 WeakPolarHBondContact O-CA 3.17Å; L9-G13 PolarHBondContact O-N 3.45Å
10A76.1Confident78.7Confident16 Ų1676.2 Ų76.213%0.13238%0.384CS..Iπ-helixtrans-73.3-27.5177.100000114.4R6 S7 W8 R96R6-A10 WeakPolarHBondContact O-CB 3.37Å; R6-A10 PolarHBondContact O-N 2.94Å; S7-A10 PolarHBondContact O-N 3.11Å; W8-A10 PolarHBondContact O-N 3.46Å; A10-R96 PolarHBondContact O-NH1 3.38Å
11N78.4Confident79.3Confident18 Ų1877.5 Ų77.510%0.09639%0.391CS..Iπ-helixtrans-96-41.9-178.3-73.5-34.2000112.8S7 W8 R96 N561 F570 E571 Y572S7-N11 PolarHBondContact O-N 3.11Å; S7-N11 VanDerWaalsContact O-N 3.11Å; S7-N11 PolarHBondContact O-ND2 2.93Å; W8-N11 PolarHBondContact O-N 3.26Å; W8-N11 VanDerWaalsContact O-N 3.09Å; N11-R96 PolarHBondContact OD1-NH2 3.37Å; N11-N561 WeakPolarHBondContact CB-OD1 3.45Å; N11-N561 PolarHBondContact ND2-OD1 2.79Å; N11-F570 PolarHBondContact ND2-O 3.49Å; N11-F570 VanDerWaalsContact ND2-O 3.12Å; N11-E571 WeakPolarHBondContact OD1-CA 3.47Å; N11-Y572 PolarHBondContact OD1-N 2.87Å
12E81.6Confident81.4Confident25 Ų2570 Ų7012%0.11735%0.353CS..Iπ-helixtrans-114.9-20.5-173.8-63.1-62.3145.800113.2W8 V14 K15 H16 H557W8-E12 HydrophobicContact CD2-CB 4.47Å; W8-E12 HydrophobicContact CZ2-CB 4.24Å; W8-E12 PolarHBondContact O-N 3.44Å; E12-V14 PolarHBondContact O-N 2.82Å; E12-K15 WeakPolarHBondContact O-CB 3.45Å; E12-K15 PolarHBondContact O-N 3.45Å; E12-K15 VanDerWaalsContact O-N 3.14Å; E12-K15 IonicContact OE2-NZ 2.71Å; E12-K15 PolarHBondContact OE2-NZ 3.45Å; E12-H16 PolarHBondContact O-CD2 3.29Å; E12-H16 VanDerWaalsContact O-CD2 3.27Å; E12-H16 PolarHBondContact O-N 3.39Å; E12-H557 IonicContact OE1-CD2 3.52Å; E12-H557 IonicContact OE1-CE1 3.72Å; E12-H557 IonicContact OE1-NE2 3.86Å; E12-H557 PolarHBondContact OE1-NE2 3.1Å
13G79.1Confident82.9Confident10 Ų1071 Ų7110%0.10335%0.347CS..Iπ-helixtrans-57.6-45.6-170.100000114.3W8 L9 K15 H16 L17W8-G13 PolarHBondContact O-N 2.86Å; L9-G13 WeakPolarHBondContact O-CA 3.17Å; L9-G13 PolarHBondContact O-N 3.45Å; G13-K15 VanDerWaalsContact C-N 3.33Å; G13-K15 PolarHBondContact O-N 3.23Å; G13-H16 PolarHBondContact O-N 2.98Å; G13-L17 WeakPolarHBondContact O-CB 3.22Å; G13-L17 PolarHBondContact O-N 3.37Å
14V77.9Confident84Confident46 Ų4668.9 Ų68.928%0.27934%0.336SS..Hα-helixtrans-65.5-37.3-179.5-177.10000111.8E12 L17 C18 R93 L97E12-V14 PolarHBondContact O-N 2.82Å; V14-L17 PolarHBondContact O-N 2.86Å; V14-C18 WeakPolarHBondContact O-CB 3.32Å; V14-C18 PolarHBondContact O-N 3.29Å; V14-R93 HydrophobicContact CG2-CB 4.29Å; V14-L97 HydrophobicContact CG1-CB 4.06Å; V14-L97 HydrophobicContact CG1-CD1 4.25Å; V14-L97 HydrophobicContact CG1-CD2 4.22Å; V14-L97 HydrophobicContact CG1-CG 4.41Å
15K82.6Confident84.8Confident74 Ų7471.4 Ų71.432%0.32235%0.347SS..Hα-helixtrans-64.2-47.6176.1169.8-172.7139.4-151.20110.5E12 G13 C18 L19E12-K15 WeakPolarHBondContact O-CB 3.45Å; E12-K15 PolarHBondContact O-N 3.45Å; E12-K15 VanDerWaalsContact O-N 3.14Å; E12-K15 IonicContact OE2-NZ 2.71Å; E12-K15 PolarHBondContact OE2-NZ 3.45Å; G13-K15 VanDerWaalsContact C-N 3.33Å; G13-K15 PolarHBondContact O-N 3.23Å; K15-C18 PolarHBondContact O-N 3.25Å; K15-L19 WeakPolarHBondContact O-CB 3.32Å; K15-L19 PolarHBondContact O-N 3.03Å
16H84.9Confident85.6Confident73 Ų7363 Ų6334%0.33832%0.316SS..Hα-helixtrans-68.2-35.5178.7-74.4-69.2000112.6W8 E12 G13 L19 L20W8-H16 AromaticContact CZ2-CD2 3.67Å; E12-H16 PolarHBondContact O-CD2 3.29Å; E12-H16 VanDerWaalsContact O-CD2 3.27Å; E12-H16 PolarHBondContact O-N 3.39Å; G13-H16 PolarHBondContact O-N 2.98Å; H16-L19 PolarHBondContact O-N 3.14Å; H16-L20 VanDerWaalsContact O-CB 3.26Å; H16-L20 WeakPolarHBondContact O-CB 3.48Å; H16-L20 PolarHBondContact O-N 3.36Å
17L86.7Confident86.5Confident104 Ų10457.1 Ų57.155%0.54530%0.303SS..Hα-helixtrans-61.9-47.3173.6179.963.3000111.2G13 V14 L19 L20 I21G13-L17 WeakPolarHBondContact O-CB 3.22Å; G13-L17 PolarHBondContact O-N 3.37Å; V14-L17 PolarHBondContact O-N 2.86Å; L17-L19 PolarHBondContact O-N 3.06Å; L17-L20 PolarHBondContact O-N 3.02Å; L17-I21 HydrophobicContact CD1-CD1 4.22Å; L17-I21 HydrophobicContact CD1-CG1 4.49Å; L17-I21 HydrophobicContact CG-CD1 4.04Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.12Å; L17-I21 PolarHBondContact O-N 2.76Å
18C85.9Confident87.4Confident41 Ų4162.4 Ų62.428%0.27733%0.331SS..Hα-helixtrans-62.5-42.8176.7-177.40000111.8V14 K15 L20 I21 W22 L97V14-C18 WeakPolarHBondContact O-CB 3.32Å; V14-C18 PolarHBondContact O-N 3.29Å; K15-C18 PolarHBondContact O-N 3.25Å; C18-L20 VanDerWaalsContact C-N 3.35Å; C18-L20 PolarHBondContact O-N 3.23Å; C18-I21 PolarHBondContact O-N 2.99Å; C18-W22 WeakPolarHBondContact O-CB 3.47Å; C18-W22 PolarHBondContact O-N 2.74Å; C18-L97 HydrophobicContact CB-CD1 3.85Å
19L88.1Confident88Confident66 Ų6660.6 Ų60.635%0.34633%0.326SS..Hα-helixtrans-60.6-43.3174.6-173.876.3000111.7K15 H16 L17 W22 L23 T107K15-L19 WeakPolarHBondContact O-CB 3.32Å; K15-L19 PolarHBondContact O-N 3.03Å; H16-L19 PolarHBondContact O-N 3.14Å; L17-L19 PolarHBondContact O-N 3.06Å; L19-W22 HydrophobicContact CD1-CE3 4.07Å; L19-W22 HydrophobicContact CD1-CZ3 4.22Å; L19-W22 PolarHBondContact O-N 3.36Å; L19-L23 VanDerWaalsContact O-CB 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.48Å; L19-L23 PolarHBondContact O-N 3.43Å; L19-T107 HydrophobicContact CD1-CG2 4.33Å
20L90.6Very high88.7Confident105 Ų10558.5 Ų58.555%0.5531%0.314SS..Hα-helixtrans-65.6-44.1179.1-175.2148.7000111H16 L17 C18 W22 L23 S24H16-L20 VanDerWaalsContact O-CB 3.26Å; H16-L20 WeakPolarHBondContact O-CB 3.48Å; H16-L20 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 3.02Å; C18-L20 VanDerWaalsContact C-N 3.35Å; C18-L20 PolarHBondContact O-N 3.23Å; L20-W22 PolarHBondContact O-N 3.24Å; L20-L23 PolarHBondContact O-N 3.44Å; L20-S24 WeakPolarHBondContact O-CB 3.44Å; L20-S24 PolarHBondContact O-N 3.08Å; L20-S24 PolarHBondContact O-OG 3.1Å
21I91.9Very high89.7Confident104 Ų10465 Ų6553%0.53334%0.335SS..Hα-helixtrans-59.4-48.2175.4-69.6165.5000110.6L17 C18 S24 L25L17-I21 HydrophobicContact CD1-CD1 4.22Å; L17-I21 HydrophobicContact CD1-CG1 4.49Å; L17-I21 HydrophobicContact CG-CD1 4.04Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.12Å; L17-I21 PolarHBondContact O-N 2.76Å; C18-I21 PolarHBondContact O-N 2.99Å; I21-S24 PolarHBondContact O-N 2.79Å; I21-L25 WeakPolarHBondContact O-CB 3.31Å; I21-L25 PolarHBondContact O-N 3.14Å
22W94.1Very high90.6Very high27 Ų2771.7 Ų71.710%0.10236%0.363CS..Hα-helixtrans-63.4-41.8177.9167.487.1000111.7C18 L19 L20 L25 N26 N67 T111C18-W22 WeakPolarHBondContact O-CB 3.47Å; C18-W22 PolarHBondContact O-N 2.74Å; L19-W22 HydrophobicContact CD1-CE3 4.07Å; L19-W22 HydrophobicContact CD1-CZ3 4.22Å; L19-W22 PolarHBondContact O-N 3.36Å; L20-W22 PolarHBondContact O-N 3.24Å; W22-L25 WeakPolarHBondContact O-CB 3.22Å; W22-L25 PolarHBondContact O-N 3.33Å; W22-N26 PolarHBondContact NE1-ND2 2.82Å; W22-N26 PolarHBondContact O-N 2.87Å; W22-N26 VanDerWaalsContact O-N 3.08Å; W22-N26 PolarHBondContact O-ND2 3.1Å; W22-N67 VanDerWaalsContact CZ2-OD1 3.22Å; W22-N67 WeakPolarHBondContact CZ2-OD1 3.31Å; W22-N67 PolarHBondContact NE1-OD1 3.25Å; W22-T111 HydrophobicContact CH2-CG2 4.09Å; W22-T111 WeakPolarHBondContact CH2-OG1 3.31Å; W22-T111 HydrophobicContact CZ2-CG2 3.97Å; W22-T111 WeakPolarHBondContact CZ2-OG1 3.29Å
23L94Very high91.2Very high94 Ų9471.4 Ų71.449%0.49236%0.363SS..Hα-helixtrans-64-46.7177.4-177.467.3000111.3L19 L20 L25 N26 V27L19-L23 VanDerWaalsContact O-CB 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.48Å; L19-L23 PolarHBondContact O-N 3.43Å; L20-L23 PolarHBondContact O-N 3.44Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 2.98Å; L23-N26 WeakPolarHBondContact O-CB 3.04Å; L23-N26 PolarHBondContact O-N 2.83Å; L23-N26 VanDerWaalsContact O-N 3.15Å; L23-V27 WeakPolarHBondContact O-CG2 3.43Å; L23-V27 PolarHBondContact O-N 3Å
24S94.6Very high92Very high51 Ų5172.7 Ų72.736%0.35737%0.366SS..Hα-helixtrans-58.8-42.2176-65.10000111.5L20 I21 N26 V27 L28L20-S24 WeakPolarHBondContact O-CB 3.44Å; L20-S24 PolarHBondContact O-N 3.08Å; L20-S24 PolarHBondContact O-OG 3.1Å; I21-S24 PolarHBondContact O-N 2.79Å; S24-N26 VanDerWaalsContact C-N 3.34Å; S24-N26 PolarHBondContact O-N 3.29Å; S24-V27 PolarHBondContact O-N 3.46Å; S24-L28 VanDerWaalsContact O-CB 3.27Å; S24-L28 WeakPolarHBondContact O-CB 3.44Å; S24-L28 WeakPolarHBondContact O-CG 3.34Å; S24-L28 PolarHBondContact O-N 3.29Å
25L95.3Very high92.8Very high79 Ų7972.9 Ų72.941%0.41437%0.365SS..Hα-helixtrans-59.1-44.8175.5-170.986.6000111.5I21 W22 L23 L29 L66I21-L25 WeakPolarHBondContact O-CB 3.31Å; I21-L25 PolarHBondContact O-N 3.14Å; W22-L25 WeakPolarHBondContact O-CB 3.22Å; W22-L25 PolarHBondContact O-N 3.33Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 2.98Å; L25-L29 HydrophobicContact CG-CD1 4.2Å; L25-L29 WeakPolarHBondContact O-CB 3.25Å; L25-L29 VanDerWaalsContact O-CG 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.47Å; L25-L29 PolarHBondContact O-N 3.09Å; L25-L66 HydrophobicContact CD2-CD1 3.73Å; L25-L66 HydrophobicContact CD2-CD2 3.39Å; L25-L66 HydrophobicContact CD2-CG 4.18Å; L25-L66 HydrophobicContact CG-CD2 4.02Å
26N96.3Very high93.3Very high5 Ų573.4 Ų73.43%0.02737%0.371CS..Hα-helixtrans-63.5-46177.6-77.9-77.9000112.3W22 L23 S24 L29 F30 V63 N67W22-N26 PolarHBondContact NE1-ND2 2.82Å; W22-N26 PolarHBondContact O-N 2.87Å; W22-N26 VanDerWaalsContact O-N 3.08Å; W22-N26 PolarHBondContact O-ND2 3.1Å; L23-N26 WeakPolarHBondContact O-CB 3.04Å; L23-N26 PolarHBondContact O-N 2.83Å; L23-N26 VanDerWaalsContact O-N 3.15Å; S24-N26 VanDerWaalsContact C-N 3.34Å; S24-N26 PolarHBondContact O-N 3.29Å; N26-L29 PolarHBondContact O-N 3.09Å; N26-F30 WeakPolarHBondContact O-CB 3.49Å; N26-F30 PolarHBondContact O-N 3.16Å; N26-V63 WeakPolarHBondContact OD1-CG1 3.47Å; N26-N67 PolarHBondContact OD1-ND2 2.94Å
27V95.9Very high93.7Very high89 Ų8971.1 Ų71.154%0.53936%0.359SS..Hα-helixtrans-64.6-44.8179173.10000110.9L23 S24 F30 W31L23-V27 WeakPolarHBondContact O-CG2 3.43Å; L23-V27 PolarHBondContact O-N 3Å; S24-V27 PolarHBondContact O-N 3.46Å; V27-F30 PolarHBondContact O-N 3Å; V27-W31 VanDerWaalsContact O-CB 3.31Å; V27-W31 WeakPolarHBondContact O-CB 3.48Å; V27-W31 PolarHBondContact O-N 2.87Å
28L96.6Very high94Very high120 Ų12069 Ų6963%0.62835%0.349SS*.Hα-helixtrans-62.7-43.6178.2-72.9171.8000111.7S24 K32S24-L28 VanDerWaalsContact O-CB 3.27Å; S24-L28 WeakPolarHBondContact O-CB 3.44Å; S24-L28 WeakPolarHBondContact O-CG 3.34Å; S24-L28 PolarHBondContact O-N 3.29Å; L28-K32 WeakPolarHBondContact O-CB 3.49Å; L28-K32 PolarHBondContact O-N 3.49Å
29L95.6Very high94.3Very high39 Ų3973.6 Ų73.620%0.20437%0.366CS..Hα-helixtrans-64.2-45.3176-75.3172.4000111.6L25 N26 T33 L66L25-L29 HydrophobicContact CG-CD1 4.2Å; L25-L29 WeakPolarHBondContact O-CB 3.25Å; L25-L29 VanDerWaalsContact O-CG 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.47Å; L25-L29 PolarHBondContact O-N 3.09Å; N26-L29 PolarHBondContact O-N 3.09Å; L29-T33 WeakPolarHBondContact O-CB 3.39Å; L29-T33 PolarHBondContact O-N 2.97Å; L29-T33 PolarHBondContact O-OG1 3.28Å; L29-T33 VanDerWaalsContact O-OG1 3.11Å; L29-L66 HydrophobicContact CD1-CB 4.19Å; L29-L66 HydrophobicContact CD1-CD2 3.59Å; L29-L66 HydrophobicContact CD1-CG 4.3Å
30F97Very high94.4Very high43 Ų4371.2 Ų71.219%0.18936%0.357CS..Hα-helixtrans-57.6-52176.5-173.9-84.9000110.8N26 V27 T33 F34 L56 A59 V63 F115N26-F30 WeakPolarHBondContact O-CB 3.49Å; N26-F30 PolarHBondContact O-N 3.16Å; V27-F30 PolarHBondContact O-N 3Å; F30-T33 PolarHBondContact O-N 2.97Å; F30-F34 HydrophobicContact CE1-CD2 4.35Å; F30-F34 VanDerWaalsContact O-CB 3.23Å; F30-F34 WeakPolarHBondContact O-CB 3.46Å; F30-F34 PolarHBondContact O-N 3.07Å; F30-L56 HydrophobicContact CZ-CD2 3.91Å; F30-A59 HydrophobicContact CD1-CB 4.14Å; F30-A59 HydrophobicContact CD2-CB 3.57Å; F30-A59 HydrophobicContact CE1-CB 4.1Å; F30-A59 HydrophobicContact CE2-CB 3.53Å; F30-A59 HydrophobicContact CG-CB 3.89Å; F30-A59 HydrophobicContact CZ-CB 3.81Å; F30-A59 WeakPolarHBondContact O-CB 3.23Å; F30-V63 HydrophobicContact CB-CG2 3.77Å; F30-V63 HydrophobicContact CD2-CG2 3.99Å; F30-V63 HydrophobicContact CG-CG2 4.4Å; F30-F115 HydrophobicContact CD2-CD1 4.4Å; F30-F115 AromaticContact CD2-CE1 3.68Å; F30-F115 HydrophobicContact CD2-CE1 3.68Å; F30-F115 HydrophobicContact CE2-CD1 4.41Å; F30-F115 AromaticContact CE2-CE1 3.85Å; F30-F115 HydrophobicContact CE2-CE1 3.85Å
31W96.5Very high94.1Very high152 Ų15269.5 Ų69.558%0.57635%0.353SS*.Hα-helixtrans-64.8-44.4-177.2-172.2-106.7000112.4V27 T33 F34 L35V27-W31 VanDerWaalsContact O-CB 3.31Å; V27-W31 WeakPolarHBondContact O-CB 3.48Å; V27-W31 PolarHBondContact O-N 2.87Å; W31-T33 PolarHBondContact O-N 3.42Å; W31-F34 PolarHBondContact O-N 3.1Å; W31-L35 HydrophobicContact CZ2-CD1 4.38Å; W31-L35 HydrophobicContact CZ2-CD2 4.22Å; W31-L35 HydrophobicContact CZ2-CG 4.42Å; W31-L35 VanDerWaalsContact NE1-CD1 3.28Å; W31-L35 WeakPolarHBondContact O-CG 3.45Å; W31-L35 PolarHBondContact O-N 2.93Å
32K96.6Very high93.9Very high159 Ų15968.2 Ų68.269%0.69134%0.344SS*.Hα-helixtrans-59.7-48.5177.2-177.6-176.9176.9-177.20111.3L28 L36L28-K32 WeakPolarHBondContact O-CB 3.49Å; L28-K32 PolarHBondContact O-N 3.49Å; K32-L36 WeakPolarHBondContact O-CB 3.34Å; K32-L36 PolarHBondContact O-N 3.37Å
33T94.6Very high93.7Very high18 Ų1867.6 Ų67.611%0.1134%0.342CS..Hα-helixtrans-66.6-40.1178.1-590000110.9L29 F30 W31 L35 L36 Y37 R58 A59 S62L29-T33 WeakPolarHBondContact O-CB 3.39Å; L29-T33 PolarHBondContact O-N 2.97Å; L29-T33 PolarHBondContact O-OG1 3.28Å; L29-T33 VanDerWaalsContact O-OG1 3.11Å; F30-T33 PolarHBondContact O-N 2.97Å; W31-T33 PolarHBondContact O-N 3.42Å; T33-L35 PolarHBondContact O-N 3.14Å; T33-L36 PolarHBondContact O-N 3.05Å; T33-Y37 HydrophobicContact CG2-CD2 3.8Å; T33-Y37 HydrophobicContact CG2-CE2 3.82Å; T33-Y37 WeakPolarHBondContact O-CD2 3.41Å; T33-Y37 PolarHBondContact O-N 3.46Å; T33-Y37 VanDerWaalsContact O-N 3.15Å; T33-R58 HydrophobicContact CG2-CB 3.96Å; T33-A59 HydrophobicContact CG2-CB 4.49Å; T33-S62 WeakPolarHBondContact CG2-OG 3.5Å; T33-S62 PolarHBondContact OG1-OG 3.41Å
34F96.4Very high93.3Very high38 Ų3867.2 Ų67.217%0.16733%0.334CS..Hα-helixtrans-58.3-49.3177.2-174.1-85000111.7F30 W31 L36 Y37 N38 V52 C55 L56 A59F30-F34 HydrophobicContact CE1-CD2 4.35Å; F30-F34 VanDerWaalsContact O-CB 3.23Å; F30-F34 WeakPolarHBondContact O-CB 3.46Å; F30-F34 PolarHBondContact O-N 3.07Å; W31-F34 PolarHBondContact O-N 3.1Å; F34-L36 PolarHBondContact O-N 2.81Å; F34-Y37 PolarHBondContact O-N 3.1Å; F34-N38 HydrophobicContact CE1-CB 4.43Å; F34-N38 VanDerWaalsContact O-CB 3.28Å; F34-N38 WeakPolarHBondContact O-CB 3.47Å; F34-N38 PolarHBondContact O-N 3.43Å; F34-V52 HydrophobicContact CE2-CG1 4.4Å; F34-V52 HydrophobicContact CZ-CG1 4.47Å; F34-C55 HydrophobicContact CD2-CB 3.57Å; F34-C55 HydrophobicContact CE2-CB 3.46Å; F34-C55 VanDerWaalsContact CE2-CB 3.46Å; F34-C55 HydrophobicContact CG-CB 4.19Å; F34-C55 HydrophobicContact CZ-CB 4Å; F34-L56 HydrophobicContact CD2-CD2 4.26Å; F34-L56 HydrophobicContact CE2-CD2 3.93Å; F34-L56 HydrophobicContact CE2-CG 4.24Å; F34-A59 HydrophobicContact CB-CB 4.05Å
35L94.9Very high92.9Very high50 Ų5065.6 Ų65.626%0.26232%0.321SS..Hα-helixtrans-63.4-40.3177.6-72.6-179.3000112.4W31 T33 Y37 N38 Q39W31-L35 HydrophobicContact CZ2-CD1 4.38Å; W31-L35 HydrophobicContact CZ2-CD2 4.22Å; W31-L35 HydrophobicContact CZ2-CG 4.42Å; W31-L35 VanDerWaalsContact NE1-CD1 3.28Å; W31-L35 WeakPolarHBondContact O-CG 3.45Å; W31-L35 PolarHBondContact O-N 2.93Å; T33-L35 PolarHBondContact O-N 3.14Å; L35-Y37 VanDerWaalsContact C-N 3.33Å; L35-Y37 PolarHBondContact O-N 2.84Å; L35-N38 PolarHBondContact O-N 3.45Å; L35-Q39 PolarHBondContact O-N 3.1Å
36L93.9Very high92.5Very high84 Ų8462 Ų6244%0.4430%0.302SS..Hα-helixtrans-57-45.8177.9179.164.9000111.9K32 T33 F34 G40 Y43K32-L36 WeakPolarHBondContact O-CB 3.34Å; K32-L36 PolarHBondContact O-N 3.37Å; T33-L36 PolarHBondContact O-N 3.05Å; F34-L36 PolarHBondContact O-N 2.81Å; L36-G40 WeakPolarHBondContact O-CA 3.34Å; L36-G40 PolarHBondContact O-N 3.17Å; L36-Y43 HydrophobicContact CD1-CE2 4.19Å; L36-Y43 HydrophobicContact CD2-CE2 4.47Å; L36-Y43 HydrophobicContact CG-CE2 3.96Å; L36-Y43 WeakPolarHBondContact O-CD2 3.25Å
37Y92.5Very high92.2Very high25 Ų2563.7 Ų63.710%0.09831%0.31CS..Hα-helixtrans-81.9-14.1-179.6-78.1-90.7000113.9T33 F34 L35 Y43 H47 L54 R58T33-Y37 HydrophobicContact CG2-CD2 3.8Å; T33-Y37 HydrophobicContact CG2-CE2 3.82Å; T33-Y37 WeakPolarHBondContact O-CD2 3.41Å; T33-Y37 PolarHBondContact O-N 3.46Å; T33-Y37 VanDerWaalsContact O-N 3.15Å; F34-Y37 PolarHBondContact O-N 3.1Å; L35-Y37 VanDerWaalsContact C-N 3.33Å; L35-Y37 PolarHBondContact O-N 2.84Å; Y37-Y43 AromaticContact CD1-CD1 3.57Å; Y37-Y43 HydrophobicContact CD1-CD1 3.57Å; Y37-Y43 HydrophobicContact CD1-CD2 4.29Å; Y37-Y43 AromaticContact CD1-CE1 3.83Å; Y37-Y43 HydrophobicContact CD1-CE1 3.83Å; Y37-Y43 AromaticContact CD1-CG 3.82Å; Y37-Y43 HydrophobicContact CD1-CG 3.82Å; Y37-Y43 AromaticContact CE1-CD1 3.49Å; Y37-Y43 HydrophobicContact CE1-CD1 3.49Å; Y37-Y43 VanDerWaalsContact CE1-CD1 3.49Å; Y37-Y43 AromaticContact CE1-CE1 3.29Å; Y37-Y43 HydrophobicContact CE1-CE1 3.29Å; Y37-Y43 HydrophobicContact CE1-CG 4.17Å; Y37-Y43 AromaticContact CE1-CZ 3.9Å; Y37-Y43 HydrophobicContact CG-CG 4.49Å; Y37-Y43 AromaticContact CZ-CE1 3.83Å; Y37-H47 PolarHBondContact O-ND1 3.17Å; Y37-L54 HydrophobicContact CD1-CD1 4.02Å; Y37-L54 HydrophobicContact CD1-CD2 4.05Å; Y37-L54 HydrophobicContact CD1-CG 3.94Å; Y37-L54 HydrophobicContact CE1-CD1 4.33Å; Y37-R58 HydrophobicContact CD1-CB 4.43Å; Y37-R58 HydrophobicContact CD1-CG 3.89Å; Y37-R58 HydrophobicContact CD2-CB 3.71Å; Y37-R58 HydrophobicContact CD2-CG 4.05Å; Y37-R58 HydrophobicContact CE1-CB 4.36Å; Y37-R58 HydrophobicContact CE1-CG 3.64Å; Y37-R58 HydrophobicContact CE2-CB 3.66Å; Y37-R58 HydrophobicContact CE2-CG 3.85Å; Y37-R58 HydrophobicContact CG-CB 4.11Å; Y37-R58 HydrophobicContact CG-CG 4.06Å
38N92.9Very high91.8Very high60 Ų6064.9 Ų64.932%0.32131%0.309SS..Hα-helixtrans-91.3-35.5177.4-170.373.8000112.7F34 L35 H47F34-N38 HydrophobicContact CE1-CB 4.43Å; F34-N38 VanDerWaalsContact O-CB 3.28Å; F34-N38 WeakPolarHBondContact O-CB 3.47Å; F34-N38 PolarHBondContact O-N 3.43Å; L35-N38 PolarHBondContact O-N 3.45Å; N38-H47 PolarHBondContact OD1-CE1 2.93Å; N38-H47 VanDerWaalsContact OD1-CE1 3.29Å
39Q91.9Very high91.3Very high138 Ų13859.9 Ų59.965%0.64528%0.283SS*.Hα-helixtrans-118.3-10.8-173.1-62.9177.1-13.600113.3L35L35-Q39 PolarHBondContact O-N 3.1Å
40G89.7Confident91Very high15 Ų1558 Ų5816%0.15527%0.273CS..  trans-68.6126.8-178.300000111.6L36 E42 Y43L36-G40 WeakPolarHBondContact O-CA 3.34Å; L36-G40 PolarHBondContact O-N 3.17Å; G40-E42 PolarHBondContact O-N 3.21Å; G40-Y43 PolarHBondContact O-N 2.99Å; G40-Y43 VanDerWaalsContact O-N 3.1Å
41P85.9Confident90.8Very high70 Ų7057.1 Ų57.146%0.45528%0.276SS..G310 helixtrans-62.9-31.3-178.625-33.5000112.4Y43 Y44 L219 P224P41-Y43 PolarHBondContact O-N 2.94Å; P41-Y43 VanDerWaalsContact O-N 3.17Å; P41-Y44 WeakPolarHBondContact O-CB 3.49Å; P41-Y44 PolarHBondContact O-N 3.06Å; P41-L219 HydrophobicContact CB-CD1 4.26Å; P41-L219 HydrophobicContact CB-CD2 4.18Å; P41-L219 HydrophobicContact CG-CD1 4.02Å; P41-P224 HydrophobicContact CB-CG 4.02Å
42E87.7Confident90.6Very high77 Ų7753.7 Ų53.736%0.3627%0.272SS..G310 helixtrans-59.1-24.5176.1-60.1174.3177.600113.6G40 Q216 L219G40-E42 PolarHBondContact O-N 3.21Å; E42-Q216 PolarHBondContact O-N 2.75Å; E42-L219 HydrophobicContact CB-CD1 4.46Å; E42-L219 HydrophobicContact CG-CD1 3.51Å; E42-L219 HydrophobicContact CG-CG 4.41Å
43Y88.3Confident90.4Very high13 Ų1346.4 Ų46.45%0.05124%0.242CC..G310 helixtrans-107.74.8-174.6-56.5-73.8000113L36 Y37 G40 P41 Y45 I46 H47 H279L36-Y43 HydrophobicContact CD1-CE2 4.19Å; L36-Y43 HydrophobicContact CD2-CE2 4.47Å; L36-Y43 HydrophobicContact CG-CE2 3.96Å; L36-Y43 WeakPolarHBondContact O-CD2 3.25Å; Y37-Y43 AromaticContact CD1-CD1 3.57Å; Y37-Y43 HydrophobicContact CD1-CD1 3.57Å; Y37-Y43 HydrophobicContact CD1-CD2 4.29Å; Y37-Y43 AromaticContact CD1-CE1 3.83Å; Y37-Y43 HydrophobicContact CD1-CE1 3.83Å; Y37-Y43 AromaticContact CD1-CG 3.82Å; Y37-Y43 HydrophobicContact CD1-CG 3.82Å; Y37-Y43 AromaticContact CE1-CD1 3.49Å; Y37-Y43 HydrophobicContact CE1-CD1 3.49Å; Y37-Y43 VanDerWaalsContact CE1-CD1 3.49Å; Y37-Y43 AromaticContact CE1-CE1 3.29Å; Y37-Y43 HydrophobicContact CE1-CE1 3.29Å; Y37-Y43 HydrophobicContact CE1-CG 4.17Å; Y37-Y43 AromaticContact CE1-CZ 3.9Å; Y37-Y43 HydrophobicContact CG-CG 4.49Å; Y37-Y43 AromaticContact CZ-CE1 3.83Å; G40-Y43 PolarHBondContact O-N 2.99Å; G40-Y43 VanDerWaalsContact O-N 3.1Å; P41-Y43 PolarHBondContact O-N 2.94Å; P41-Y43 VanDerWaalsContact O-N 3.17Å; Y43-Y45 PolarHBondContact O-N 2.77Å; Y43-I46 HydrophobicContact CD1-CG2 4.25Å; Y43-I46 WeakPolarHBondContact O-CG2 3.49Å; Y43-I46 PolarHBondContact O-N 3.4Å; Y43-H47 WeakPolarHBondContact O-CB 3.38Å; Y43-H47 PolarHBondContact O-N 3.21Å; Y43-H279 AromaticContact CE1-CE1 3.85Å; Y43-H279 AromaticContact CE1-NE2 3.32Å; Y43-H279 VanDerWaalsContact CE1-NE2 3.32Å; Y43-H279 WeakPolarHBondContact CE1-NE2 3.49Å; Y43-H279 AromaticContact CZ-CE1 3.9Å; Y43-H279 AromaticContact CZ-NE2 3.83Å; Y43-H279 PolarHBondContact OH-CE1 2.79Å; Y43-H279 PolarHBondContact OH-NE2 3.17Å
44Y86.7Confident90.3Very high86 Ų8645.6 Ų45.634%0.33724%0.236SC..Hα-helixtrans-54.3-52.3-171.8178.6-97.7000112.9P41 I46 H47 Q48 P224P41-Y44 WeakPolarHBondContact O-CB 3.49Å; P41-Y44 PolarHBondContact O-N 3.06Å; Y44-I46 PolarHBondContact O-N 3.07Å; Y44-H47 PolarHBondContact O-N 3.31Å; Y44-Q48 VanDerWaalsContact CE1-CD 3.49Å; Y44-Q48 HydrophobicContact CE1-CG 4.36Å; Y44-Q48 WeakPolarHBondContact O-CG 3.47Å; Y44-Q48 PolarHBondContact O-N 2.9Å; Y44-Q48 PolarHBondContact OH-NE2 3.14Å; Y44-P224 HydrophobicContact CD1-CB 3.67Å; Y44-P224 HydrophobicContact CD2-CB 4.04Å; Y44-P224 HydrophobicContact CE1-CB 4.13Å; Y44-P224 HydrophobicContact CE2-CB 4.47Å; Y44-P224 HydrophobicContact CG-CB 3.59Å; Y44-P224 HydrophobicContact CG-CG 4.32Å
45Y85.9Confident90.3Very high18 Ų1843.8 Ų43.87%0.07123%0.228CC..Hα-helixtrans-63.6-44.7-177.9-65.2-71.2000112.7Y43 H47 Q48 M49 F138 Q216 H222 G225 F276Y43-Y45 PolarHBondContact O-N 2.77Å; Y45-H47 VanDerWaalsContact C-N 3.33Å; Y45-H47 PolarHBondContact O-N 3.27Å; Y45-Q48 PolarHBondContact O-N 2.83Å; Y45-M49 WeakPolarHBondContact O-CG 3.47Å; Y45-M49 PolarHBondContact O-N 3.47Å; Y45-F138 HydrophobicContact CD1-CE2 4.07Å; Y45-F138 HydrophobicContact CD1-CZ 4.05Å; Y45-F138 HydrophobicContact CE1-CE2 4.47Å; Y45-F138 HydrophobicContact CE1-CZ 4.1Å; Y45-Q216 VanDerWaalsContact CE2-OE1 3.25Å; Y45-H222 AromaticContact CE2-CE1 3.75Å; Y45-H222 AromaticContact CE2-ND1 3.9Å; Y45-H222 AromaticContact CZ-CE1 3.46Å; Y45-H222 VanDerWaalsContact CZ-CE1 3.46Å; Y45-H222 PolarHBondContact OH-CE1 3.22Å; Y45-G225 PolarHBondContact OH-N 2.81Å; Y45-F276 HydrophobicContact CD2-CE1 4.23Å; Y45-F276 HydrophobicContact CD2-CZ 4.21Å; Y45-F276 HydrophobicContact CG-CZ 4.33Å
46I86.9Confident90.3Very high4 Ų444.2 Ų44.22%0.02123%0.231CC..Hα-helixtrans-72-31-179.9-164166.8000112Y43 Y44 M49 L50 L54 L141 L213Y43-I46 HydrophobicContact CD1-CG2 4.25Å; Y43-I46 WeakPolarHBondContact O-CG2 3.49Å; Y43-I46 PolarHBondContact O-N 3.4Å; Y44-I46 PolarHBondContact O-N 3.07Å; I46-M49 PolarHBondContact O-N 3.17Å; I46-L50 HydrophobicContact CD1-CD1 4.3Å; I46-L50 HydrophobicContact CG1-CD1 3.83Å; I46-L50 HydrophobicContact CG1-CG 4.34Å; I46-L50 WeakPolarHBondContact O-CB 3.09Å; I46-L50 PolarHBondContact O-N 3.46Å; I46-L54 HydrophobicContact CB-CD2 4.37Å; I46-L54 HydrophobicContact CG1-CD2 4.24Å; I46-L54 HydrophobicContact CG2-CD2 3.65Å; I46-L141 HydrophobicContact CB-CD1 4.05Å; I46-L141 HydrophobicContact CB-CD2 4.04Å; I46-L141 HydrophobicContact CB-CG 4.31Å; I46-L141 HydrophobicContact CD1-CD1 3.86Å; I46-L141 HydrophobicContact CG1-CD1 4.13Å; I46-L141 HydrophobicContact CG1-CG 4.35Å; I46-L213 HydrophobicContact CD1-CB 4.27Å; I46-L213 HydrophobicContact CD1-CD2 3.89Å
47H89.8Confident90.4Very high40 Ų4040.2 Ų40.219%0.18521%0.21CC..Hα-helixtrans-69.2-39173.2-178.377.9000111.5Y37 N38 Y43 Y44 Y45 M49 G51 L54 C55Y37-H47 PolarHBondContact O-ND1 3.17Å; N38-H47 PolarHBondContact OD1-CE1 2.93Å; N38-H47 VanDerWaalsContact OD1-CE1 3.29Å; Y43-H47 WeakPolarHBondContact O-CB 3.38Å; Y43-H47 PolarHBondContact O-N 3.21Å; Y44-H47 PolarHBondContact O-N 3.31Å; Y45-H47 VanDerWaalsContact C-N 3.33Å; Y45-H47 PolarHBondContact O-N 3.27Å; H47-M49 VanDerWaalsContact C-N 3.27Å; H47-M49 PolarHBondContact O-N 3.02Å; H47-G51 WeakPolarHBondContact O-CA 3.45Å; H47-G51 PolarHBondContact O-N 3.4Å; H47-L54 HydrophobicContact CB-CD2 4.27Å; H47-C55 VanDerWaalsContact CE1-SG 3.57Å; H47-C55 PolarHBondContact ND1-SG 3.44Å
48Q87.4Confident90.4Very high113 Ų11341.9 Ų41.953%0.52822%0.216SC..Hα-helixtrans-61.3-37.2173.3-75.3-171.7-32.600112.2Y44 Y45Y44-Q48 VanDerWaalsContact CE1-CD 3.49Å; Y44-Q48 HydrophobicContact CE1-CG 4.36Å; Y44-Q48 WeakPolarHBondContact O-CG 3.47Å; Y44-Q48 PolarHBondContact O-N 2.9Å; Y44-Q48 PolarHBondContact OH-NE2 3.14Å; Y45-Q48 PolarHBondContact O-N 2.83Å
49M86.9Confident90.6Very high15 Ų1539 Ų397%0.07420%0.201CC..Hα-helixtrans-73.1-46.1177.9-69.1173.76800113.2Y45 I46 H47 F130 N133 L141 N142Y45-M49 WeakPolarHBondContact O-CG 3.47Å; Y45-M49 PolarHBondContact O-N 3.47Å; I46-M49 PolarHBondContact O-N 3.17Å; H47-M49 VanDerWaalsContact C-N 3.27Å; H47-M49 PolarHBondContact O-N 3.02Å; M49-F130 HydrophobicContact CE-CD1 4.37Å; M49-N133 PolarHBondContact O-ND2 3.47Å; M49-L141 HydrophobicContact SD-CB 4.3Å; M49-L141 HydrophobicContact SD-CD2 3.54Å; M49-L141 VanDerWaalsContact SD-CD2 3.54Å; M49-L141 HydrophobicContact SD-CG 3.91Å; M49-N142 WeakPolarHBondContact CE-OD1 3.49Å
50L89.6Confident90.8Very high1 Ų132.4 Ų32.41%0.00517%0.17CC..Hα-helixtrans-100.1-17.8-170.1-63.6-178.6000114.3I46 G53 L54 N126 N129 F130 L213I46-L50 HydrophobicContact CD1-CD1 4.3Å; I46-L50 HydrophobicContact CG1-CD1 3.83Å; I46-L50 HydrophobicContact CG1-CG 4.34Å; I46-L50 WeakPolarHBondContact O-CB 3.09Å; I46-L50 PolarHBondContact O-N 3.46Å; L50-G53 PolarHBondContact O-N 3.38Å; L50-L54 HydrophobicContact CB-CB 3.76Å; L50-L54 HydrophobicContact CD1-CB 4.13Å; L50-L54 HydrophobicContact CD1-CD1 4.16Å; L50-N126 HydrophobicContact CD2-CB 4.16Å; L50-N129 HydrophobicContact CD2-CB 3.97Å; L50-N129 PolarHBondContact O-ND2 2.83Å; L50-F130 HydrophobicContact CD1-CE1 4.21Å; L50-F130 HydrophobicContact CD1-CE2 3.85Å; L50-F130 HydrophobicContact CD1-CZ 3.59Å; L50-F130 HydrophobicContact CD2-CD1 3.83Å; L50-F130 HydrophobicContact CD2-CD2 3.65Å; L50-F130 HydrophobicContact CD2-CE1 3.83Å; L50-F130 HydrophobicContact CD2-CE2 3.66Å; L50-F130 HydrophobicContact CD2-CG 3.74Å; L50-F130 HydrophobicContact CD2-CZ 3.77Å; L50-F130 HydrophobicContact CG-CE1 4.25Å; L50-F130 HydrophobicContact CG-CE2 4.34Å; L50-F130 HydrophobicContact CG-CZ 4.1Å; L50-L213 HydrophobicContact CD1-CD2 4.18Å
51G91.6Very high91Very high23 Ų2332.8 Ų32.824%0.23717%0.171CC..THydrogen-bonded Turntrans56.6-141.8-177.400000113.6H47 G53 L54H47-G51 WeakPolarHBondContact O-CA 3.45Å; H47-G51 PolarHBondContact O-N 3.4Å; G51-G53 PolarHBondContact O-N 2.92Å; G51-L54 WeakPolarHBondContact O-CB 3.5Å; G51-L54 PolarHBondContact O-N 3.47Å
52V92.8Very high91.4Very high81 Ų8130.8 Ų30.849%0.49116%0.159SC..Hα-helixtrans-62.3-25.6-177.4-178.90000112.7F34 L54 C55 L56F34-V52 HydrophobicContact CE2-CG1 4.4Å; F34-V52 HydrophobicContact CZ-CG1 4.47Å; V52-L54 PolarHBondContact O-N 2.97Å; V52-C55 PolarHBondContact O-N 3.02Å; V52-L56 HydrophobicContact CG1-CD1 3.94Å; V52-L56 HydrophobicContact CG1-CG 4Å; V52-L56 PolarHBondContact O-N 2.87Å
53G92.4Very high91.8Very high6 Ų627.1 Ų27.16%0.06214%0.142CC..Hα-helixtrans-59.9-35.5177.300000112.5L50 G51 S57 N126L50-G53 PolarHBondContact O-N 3.38Å; G51-G53 PolarHBondContact O-N 2.92Å; G53-S57 VanDerWaalsContact O-CB 3.25Å; G53-S57 WeakPolarHBondContact O-CB 3.45Å; G53-S57 PolarHBondContact O-N 3.28Å; G53-S57 PolarHBondContact O-OG 3.13Å; G53-N126 VanDerWaalsContact C-ND2 3.34Å; G53-N126 WeakPolarHBondContact CA-OD1 3.34Å; G53-N126 PolarHBondContact O-ND2 3.37Å; G53-N126 PolarHBondContact O-OD1 3.11Å
54L93.1Very high92.2Very high0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-62.9-54.1174172.461.9000110.6Y37 I46 H47 L50 G51 V52 L56 S57 R58 N126 L213Y37-L54 HydrophobicContact CD1-CD1 4.02Å; Y37-L54 HydrophobicContact CD1-CD2 4.05Å; Y37-L54 HydrophobicContact CD1-CG 3.94Å; Y37-L54 HydrophobicContact CE1-CD1 4.33Å; I46-L54 HydrophobicContact CB-CD2 4.37Å; I46-L54 HydrophobicContact CG1-CD2 4.24Å; I46-L54 HydrophobicContact CG2-CD2 3.65Å; H47-L54 HydrophobicContact CB-CD2 4.27Å; L50-L54 HydrophobicContact CB-CB 3.76Å; L50-L54 HydrophobicContact CD1-CB 4.13Å; L50-L54 HydrophobicContact CD1-CD1 4.16Å; G51-L54 WeakPolarHBondContact O-CB 3.5Å; G51-L54 PolarHBondContact O-N 3.47Å; V52-L54 PolarHBondContact O-N 2.97Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.48Å; L54-S57 PolarHBondContact O-N 3.31Å; L54-S57 PolarHBondContact O-OG 2.92Å; L54-R58 HydrophobicContact CD1-CG 3.86Å; L54-R58 WeakPolarHBondContact O-CG 3.36Å; L54-R58 PolarHBondContact O-N 3.36Å; L54-N126 PolarHBondContact N-OD1 2.85Å; L54-N126 VanDerWaalsContact N-OD1 3.08Å; L54-L213 HydrophobicContact CD1-CD1 3.34Å
55C94.9Very high92.5Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-57.3-46.1-178.1-55.10000111.3F34 H47 V52 A59F34-C55 HydrophobicContact CD2-CB 3.57Å; F34-C55 HydrophobicContact CE2-CB 3.46Å; F34-C55 VanDerWaalsContact CE2-CB 3.46Å; F34-C55 HydrophobicContact CG-CB 4.19Å; F34-C55 HydrophobicContact CZ-CB 4Å; H47-C55 VanDerWaalsContact CE1-SG 3.57Å; H47-C55 PolarHBondContact ND1-SG 3.44Å; V52-C55 PolarHBondContact O-N 3.02Å; C55-A59 WeakPolarHBondContact O-CB 3.38Å; C55-A59 PolarHBondContact O-N 3.23Å
56L96.1Very high92.9Very high59 Ų5923.8 Ų23.831%0.30913%0.132SC..Hα-helixtrans-66.2-43.2178-71178000112.6F30 F34 V52 L54 R58 S60 A122F30-L56 HydrophobicContact CZ-CD2 3.91Å; F34-L56 HydrophobicContact CD2-CD2 4.26Å; F34-L56 HydrophobicContact CE2-CD2 3.93Å; F34-L56 HydrophobicContact CE2-CG 4.24Å; V52-L56 HydrophobicContact CG1-CD1 3.94Å; V52-L56 HydrophobicContact CG1-CG 4Å; V52-L56 PolarHBondContact O-N 2.87Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.48Å; L56-R58 VanDerWaalsContact C-N 3.33Å; L56-R58 PolarHBondContact O-N 3.46Å; L56-S60 VanDerWaalsContact O-CB 3.29Å; L56-S60 WeakPolarHBondContact O-CB 3.33Å; L56-S60 PolarHBondContact O-N 2.99Å; L56-S60 PolarHBondContact O-OG 3.35Å; L56-A122 HydrophobicContact CB-CB 3.85Å
57S94.8Very high93.4Very high0 Ų023.6 Ų23.60%013%0.131CC..Hα-helixtrans-62.2-40.6179.371.60000112G53 L54 S60 A61 H119 N126G53-S57 VanDerWaalsContact O-CB 3.25Å; G53-S57 WeakPolarHBondContact O-CB 3.45Å; G53-S57 PolarHBondContact O-N 3.28Å; G53-S57 PolarHBondContact O-OG 3.13Å; L54-S57 PolarHBondContact O-N 3.31Å; L54-S57 PolarHBondContact O-OG 2.92Å; S57-S60 PolarHBondContact O-OG 2.92Å; S57-A61 VanDerWaalsContact O-CB 3.29Å; S57-A61 WeakPolarHBondContact O-CB 3.27Å; S57-A61 PolarHBondContact O-N 3.45Å; S57-H119 PolarHBondContact O-ND1 3.04Å; S57-H119 VanDerWaalsContact O-ND1 3.07Å; S57-N126 WeakPolarHBondContact CB-ND2 3.17Å; S57-N126 PolarHBondContact OG-ND2 3.43Å
58R93.6Very high93.6Very high60 Ų6021.9 Ų21.923%0.22612%0.123CC..Hα-helixtrans-76.2-43.6-179.2-63.6-65.6118.8168.68.5112.2T33 Y37 L54 L56 A61 S62 L213T33-R58 HydrophobicContact CG2-CB 3.96Å; Y37-R58 HydrophobicContact CD1-CB 4.43Å; Y37-R58 HydrophobicContact CD1-CG 3.89Å; Y37-R58 HydrophobicContact CD2-CB 3.71Å; Y37-R58 HydrophobicContact CD2-CG 4.05Å; Y37-R58 HydrophobicContact CE1-CB 4.36Å; Y37-R58 HydrophobicContact CE1-CG 3.64Å; Y37-R58 HydrophobicContact CE2-CB 3.66Å; Y37-R58 HydrophobicContact CE2-CG 3.85Å; Y37-R58 HydrophobicContact CG-CB 4.11Å; Y37-R58 HydrophobicContact CG-CG 4.06Å; L54-R58 HydrophobicContact CD1-CG 3.86Å; L54-R58 WeakPolarHBondContact O-CG 3.36Å; L54-R58 PolarHBondContact O-N 3.36Å; L56-R58 VanDerWaalsContact C-N 3.33Å; L56-R58 PolarHBondContact O-N 3.46Å; R58-A61 PolarHBondContact O-N 2.95Å; R58-S62 PolarHBondContact O-N 2.7Å; R58-S62 PolarHBondContact O-OG 3.48Å; R58-L213 HydrophobicContact CG-CD1 4.27Å
59A95.9Very high93.9Very high0 Ų017.1 Ų17.10%010%0.103CC..Hα-helixtrans-62.3-44.217700000112F30 T33 F34 C55 S62 V63F30-A59 HydrophobicContact CD1-CB 4.14Å; F30-A59 HydrophobicContact CD2-CB 3.57Å; F30-A59 HydrophobicContact CE1-CB 4.1Å; F30-A59 HydrophobicContact CE2-CB 3.53Å; F30-A59 HydrophobicContact CG-CB 3.89Å; F30-A59 HydrophobicContact CZ-CB 3.81Å; F30-A59 WeakPolarHBondContact O-CB 3.23Å; T33-A59 HydrophobicContact CG2-CB 4.49Å; F34-A59 HydrophobicContact CB-CB 4.05Å; C55-A59 WeakPolarHBondContact O-CB 3.38Å; C55-A59 PolarHBondContact O-N 3.23Å; A59-S62 PolarHBondContact O-N 2.83Å; A59-V63 PolarHBondContact O-N 2.81Å
60S96.7Very high94.2Very high0 Ų018.7 Ų18.70%011%0.111CC..Hα-helixtrans-63.9-40.1173.456.70000112.3L56 S57 S62 V63 L64 H119L56-S60 VanDerWaalsContact O-CB 3.29Å; L56-S60 WeakPolarHBondContact O-CB 3.33Å; L56-S60 PolarHBondContact O-N 2.99Å; L56-S60 PolarHBondContact O-OG 3.35Å; S57-S60 PolarHBondContact O-OG 2.92Å; S60-S62 PolarHBondContact O-N 2.76Å; S60-V63 PolarHBondContact O-N 2.96Å; S60-L64 VanDerWaalsContact O-CG 3.3Å; S60-L64 WeakPolarHBondContact O-CG 3.41Å; S60-L64 PolarHBondContact O-N 2.78Å; S60-H119 WeakPolarHBondContact OG-CA 3.42Å; S60-H119 WeakPolarHBondContact OG-CB 3.43Å; S60-H119 PolarHBondContact OG-ND1 3.17Å
61A94.1Very high94.5Very high22 Ų2219.8 Ų19.818%0.18212%0.117CC..Hα-helixtrans-61.6-40.2175.600000113S57 R58 V63 L64 N65S57-A61 VanDerWaalsContact O-CB 3.29Å; S57-A61 WeakPolarHBondContact O-CB 3.27Å; S57-A61 PolarHBondContact O-N 3.45Å; R58-A61 PolarHBondContact O-N 2.95Å; A61-V63 PolarHBondContact O-N 3.38Å; A61-L64 PolarHBondContact O-N 2.82Å; A61-N65 WeakPolarHBondContact O-CB 3.49Å; A61-N65 VanDerWaalsContact O-CG 3.28Å; A61-N65 PolarHBondContact O-N 3.4Å; A61-N65 PolarHBondContact O-ND2 3.47Å
62S94.3Very high94.5Very high28 Ų2819.3 Ų19.320%0.19611%0.108CC..Hα-helixtrans-61.8-42.6175-61.80000112.2T33 R58 A59 S60 N65 L66T33-S62 WeakPolarHBondContact CG2-OG 3.5Å; T33-S62 PolarHBondContact OG1-OG 3.41Å; R58-S62 PolarHBondContact O-N 2.7Å; R58-S62 PolarHBondContact O-OG 3.48Å; A59-S62 PolarHBondContact O-N 2.83Å; S60-S62 PolarHBondContact O-N 2.76Å; S62-N65 PolarHBondContact O-N 3.31Å; S62-L66 PolarHBondContact O-N 3.3Å; S62-L66 VanDerWaalsContact O-N 3.17Å
63V96.6Very high94.4Very high0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-64.4-42.3175.3170.90000111.1N26 F30 A59 S60 A61 L66 N67 T111 F115N26-V63 WeakPolarHBondContact OD1-CG1 3.47Å; F30-V63 HydrophobicContact CB-CG2 3.77Å; F30-V63 HydrophobicContact CD2-CG2 3.99Å; F30-V63 HydrophobicContact CG-CG2 4.4Å; A59-V63 PolarHBondContact O-N 2.81Å; S60-V63 PolarHBondContact O-N 2.96Å; A61-V63 PolarHBondContact O-N 3.38Å; V63-L66 PolarHBondContact O-N 2.87Å; V63-N67 PolarHBondContact O-N 3.24Å; V63-N67 PolarHBondContact O-ND2 2.85Å; V63-T111 HydrophobicContact CG1-CG2 4.37Å; V63-F115 HydrophobicContact CB-CD1 4.18Å; V63-F115 HydrophobicContact CB-CE1 4.38Å; V63-F115 HydrophobicContact CB-CG 4.29Å; V63-F115 HydrophobicContact CG1-CB 4.28Å; V63-F115 HydrophobicContact CG1-CD1 3.93Å; V63-F115 HydrophobicContact CG1-CD2 3.55Å; V63-F115 HydrophobicContact CG1-CE1 4.11Å; V63-F115 HydrophobicContact CG1-CE2 3.74Å; V63-F115 HydrophobicContact CG1-CG 3.64Å; V63-F115 HydrophobicContact CG1-CZ 4.01Å; V63-F115 HydrophobicContact CG2-CE1 4.28Å
64L95.8Very high94.3Very high18 Ų1818.4 Ų18.49%0.09410%0.099CC..Hα-helixtrans-62.2-45.9175.7-72170000111.6S60 A61 L66 N67 C68 I112 F115 H119S60-L64 VanDerWaalsContact O-CG 3.3Å; S60-L64 WeakPolarHBondContact O-CG 3.41Å; S60-L64 PolarHBondContact O-N 2.78Å; A61-L64 PolarHBondContact O-N 2.82Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 2.81Å; L64-N67 PolarHBondContact O-N 3.42Å; L64-C68 VanDerWaalsContact O-CB 3.23Å; L64-C68 WeakPolarHBondContact O-CB 3.33Å; L64-C68 PolarHBondContact O-N 3.11Å; L64-C68 PolarHBondContact O-SG 3.09Å; L64-I112 HydrophobicContact CD2-CB 4.37Å; L64-I112 HydrophobicContact CD2-CG2 4.11Å; L64-I112 WeakPolarHBondContact CD2-O 3.49Å; L64-F115 HydrophobicContact CD2-CB 3.91Å; L64-F115 HydrophobicContact CG-CB 4.06Å; L64-H119 HydrophobicContact CD1-CB 3.83Å
65N94.2Very high94.1Very high18 Ų1820.8 Ų20.810%0.09611%0.111CC..Hα-helixtrans-56.3-46.2177.5-76.3-20.6000112A61 S62 S69 T283 W286A61-N65 WeakPolarHBondContact O-CB 3.49Å; A61-N65 VanDerWaalsContact O-CG 3.28Å; A61-N65 PolarHBondContact O-N 3.4Å; A61-N65 PolarHBondContact O-ND2 3.47Å; S62-N65 PolarHBondContact O-N 3.31Å; N65-S69 WeakPolarHBondContact O-CB 3.4Å; N65-S69 PolarHBondContact O-N 3.17Å; N65-T283 VanDerWaalsContact CG-OG1 3.26Å; N65-T283 PolarHBondContact ND2-OG1 2.75Å; N65-T283 WeakPolarHBondContact OD1-CG2 3.44Å; N65-T283 PolarHBondContact OD1-OG1 2.97Å; N65-W286 HydrophobicContact CB-CB 4.35Å; N65-W286 HydrophobicContact CB-CD2 4.46Å; N65-W286 HydrophobicContact CB-CG 4.1Å
66L94.5Very high93.9Very high11 Ų1120.8 Ų20.86%0.05811%0.111CC..Hα-helixtrans-60.9-50.1176.2173.569.9000111.6L25 L29 S62 V63 L64 S69 L70 W286L25-L66 HydrophobicContact CD2-CD1 3.73Å; L25-L66 HydrophobicContact CD2-CD2 3.39Å; L25-L66 HydrophobicContact CD2-CG 4.18Å; L25-L66 HydrophobicContact CG-CD2 4.02Å; L29-L66 HydrophobicContact CD1-CB 4.19Å; L29-L66 HydrophobicContact CD1-CD2 3.59Å; L29-L66 HydrophobicContact CD1-CG 4.3Å; S62-L66 PolarHBondContact O-N 3.3Å; S62-L66 VanDerWaalsContact O-N 3.17Å; V63-L66 PolarHBondContact O-N 2.87Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 2.81Å; L66-S69 VanDerWaalsContact O-CB 3.32Å; L66-S69 WeakPolarHBondContact O-CB 3.43Å; L66-S69 PolarHBondContact O-N 2.86Å; L66-L70 HydrophobicContact CD1-CD1 3.86Å; L66-L70 HydrophobicContact CD1-CG 4.19Å; L66-L70 HydrophobicContact CG-CD1 4.02Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 2.79Å; L66-W286 HydrophobicContact CB-CZ3 4.5Å; L66-W286 HydrophobicContact CD1-CZ3 4.04Å
67N96.2Very high93.2Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-71.8-36.8-175.1-71.4-70000112.6W22 N26 V63 L64 S69 L70 I71 I112W22-N67 VanDerWaalsContact CZ2-OD1 3.22Å; W22-N67 WeakPolarHBondContact CZ2-OD1 3.31Å; W22-N67 PolarHBondContact NE1-OD1 3.25Å; N26-N67 PolarHBondContact OD1-ND2 2.94Å; V63-N67 PolarHBondContact O-N 3.24Å; V63-N67 PolarHBondContact O-ND2 2.85Å; L64-N67 PolarHBondContact O-N 3.42Å; N67-S69 PolarHBondContact O-N 3.22Å; N67-L70 PolarHBondContact O-N 3.01Å; N67-I71 WeakPolarHBondContact O-CB 3.31Å; N67-I71 PolarHBondContact O-N 3.07Å; N67-I112 HydrophobicContact CB-CD1 4.16Å; N67-I112 HydrophobicContact CB-CG1 3.68Å
68C94.8Very high92.7Very high4 Ų423.4 Ų23.43%0.02712%0.119CC..Hα-helixtrans-64.8-28.4171.2-69.70000112L64 Y201 L204L64-C68 VanDerWaalsContact O-CB 3.23Å; L64-C68 WeakPolarHBondContact O-CB 3.33Å; L64-C68 PolarHBondContact O-N 3.11Å; L64-C68 PolarHBondContact O-SG 3.09Å; C68-Y201 HydrophobicContact CB-CE1 4.46Å; C68-Y201 PolarHBondContact O-OH 3Å; C68-L204 HydrophobicContact CB-CD2 4.25Å
69S93.4Very high92.3Very high14 Ų1423.2 Ų23.210%0.09812%0.123CC..Hα-helixtrans-71.4-45.2171.5179.30000111.3N65 L66 N67 W286 P290N65-S69 WeakPolarHBondContact O-CB 3.4Å; N65-S69 PolarHBondContact O-N 3.17Å; L66-S69 VanDerWaalsContact O-CB 3.32Å; L66-S69 WeakPolarHBondContact O-CB 3.43Å; L66-S69 PolarHBondContact O-N 2.86Å; N67-S69 PolarHBondContact O-N 3.22Å; S69-W286 VanDerWaalsContact CB-O 3.27Å; S69-W286 WeakPolarHBondContact CB-O 3.49Å; S69-W286 PolarHBondContact OG-O 2.91Å; S69-P290 VanDerWaalsContact O-CB 3.31Å; S69-P290 WeakPolarHBondContact O-CB 3.48Å; S69-P290 WeakPolarHBondContact OG-CG 3.27Å
70L93.4Very high91.7Very high48 Ų4824.6 Ų24.625%0.25113%0.13SC..Hα-helixtrans-77.5-26.9-175.2-67.3177.8000114.7L66 N67 L72 L73 P74L66-L70 HydrophobicContact CD1-CD1 3.86Å; L66-L70 HydrophobicContact CD1-CG 4.19Å; L66-L70 HydrophobicContact CG-CD1 4.02Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 2.79Å; N67-L70 PolarHBondContact O-N 3.01Å; L70-L72 VanDerWaalsContact C-N 3.26Å; L70-L72 PolarHBondContact O-N 3.5Å; L70-L73 HydrophobicContact CD2-CD1 4.02Å; L70-L73 PolarHBondContact O-N 3.18Å; L70-P74 WeakPolarHBondContact O-CD 3.18Å
71I95.1Very high90.8Very high24 Ų2425.6 Ų25.612%0.12314%0.138CC..THydrogen-bonded Turntrans-64.4-25.6-171-167.6164.4000114.4N67 H105 C108 I112 Y201N67-I71 WeakPolarHBondContact O-CB 3.31Å; N67-I71 PolarHBondContact O-N 3.07Å; I71-H105 VanDerWaalsContact CG1-ND1 3.31Å; I71-H105 WeakPolarHBondContact CG1-ND1 3.38Å; I71-H105 PolarHBondContact O-ND1 2.96Å; I71-C108 HydrophobicContact CB-CB 4.16Å; I71-C108 HydrophobicContact CD1-CB 4.42Å; I71-C108 HydrophobicContact CG1-CB 4.25Å; I71-I112 HydrophobicContact CB-CD1 4.33Å; I71-I112 HydrophobicContact CD1-CD1 3.71Å; I71-I112 HydrophobicContact CG2-CD1 4.32Å; I71-Y201 WeakPolarHBondContact CG2-OH 3.4Å
72L92.5Very high90.2Very high12 Ų1232.4 Ų32.46%0.06316%0.16CC..SBendtrans-79.4-34.3179.4-60.3179.1000112.7L70 M75 F197 Y201 L291 Y294L70-L72 VanDerWaalsContact C-N 3.26Å; L70-L72 PolarHBondContact O-N 3.5Å; L72-M75 WeakPolarHBondContact O-CB 3.48Å; L72-M75 PolarHBondContact O-N 3.37Å; L72-F197 HydrophobicContact CD2-CD2 4.32Å; L72-F197 HydrophobicContact CD2-CE2 4.28Å; L72-Y201 HydrophobicContact CD1-CE1 4.31Å; L72-Y201 HydrophobicContact CD1-CE2 4.16Å; L72-Y201 HydrophobicContact CD2-CE2 3.87Å; L72-Y201 HydrophobicContact CG-CE2 4.25Å; L72-Y201 WeakPolarHBondContact CG-OH 3.38Å; L72-L291 HydrophobicContact CD1-CB 4.33Å; L72-L291 HydrophobicContact CD1-CD1 3.89Å; L72-Y294 HydrophobicContact CB-CD2 4.34Å; L72-Y294 HydrophobicContact CB-CG 4.42Å
73L90.9Very high89.5Confident60 Ų6034.4 Ų34.431%0.31417%0.169SC..G310 helixtrans-58.7-42.4-174.5-58.2176.7000113.4L70 M75 C76 P290 L293L70-L73 HydrophobicContact CD2-CD1 4.02Å; L70-L73 PolarHBondContact O-N 3.18Å; L73-M75 PolarHBondContact O-N 2.73Å; L73-M75 VanDerWaalsContact O-N 3.14Å; L73-C76 PolarHBondContact O-N 2.81Å; L73-P290 HydrophobicContact CD2-CB 3.94Å; L73-P290 HydrophobicContact CG-CB 4.34Å; L73-L293 HydrophobicContact CD2-CD2 3.83Å
74P89.8Confident88.4Confident8 Ų835 Ų355%0.05217%0.171CC..G310 helixtrans-60.7-18.7174-27.435.5000115.5L70 L80 S101 L104 H105L70-P74 WeakPolarHBondContact O-CD 3.18Å; P74-L80 VanDerWaalsContact O-CD1 3.24Å; P74-L80 WeakPolarHBondContact O-CD1 3.32Å; P74-S101 WeakPolarHBondContact CB-O 3.35Å; P74-L104 HydrophobicContact CG-CB 4.41Å; P74-L104 HydrophobicContact CG-CD2 4.19Å; P74-L104 HydrophobicContact CG-CG 4.32Å; P74-H105 HydrophobicContact CB-CB 3.95Å; P74-H105 HydrophobicContact CG-CB 4.22Å
75M89.3Confident86.8Confident50 Ų5035.9 Ų35.925%0.24618%0.184CC..G310 helixtrans-93.5-7.9-177.9-66.6-60.2168.700113.3L72 L73 R77 H105 Y294L72-M75 WeakPolarHBondContact O-CB 3.48Å; L72-M75 PolarHBondContact O-N 3.37Å; L73-M75 PolarHBondContact O-N 2.73Å; L73-M75 VanDerWaalsContact O-N 3.14Å; M75-R77 PolarHBondContact O-N 2.77Å; M75-H105 HydrophobicContact CE-CB 3.65Å; M75-H105 WeakPolarHBondContact CE-CD2 3.32Å; M75-H105 WeakPolarHBondContact CE-ND1 3.33Å; M75-Y294 HydrophobicContact CB-CE2 4.26Å
76C89.2Confident85.3Confident0 Ų036.2 Ų36.20%019%0.188CC..  trans-74.769.9172.2-610000111L73 T78 L79 L80 E297L73-C76 PolarHBondContact O-N 2.81Å; C76-T78 VanDerWaalsContact C-N 3.33Å; C76-T78 PolarHBondContact O-N 3.19Å; C76-L79 HydrophobicContact CB-CB 3.98Å; C76-L79 HydrophobicContact CB-CD2 4.33Å; C76-L79 WeakPolarHBondContact O-CB 3.35Å; C76-L79 PolarHBondContact O-N 2.83Å; C76-L80 WeakPolarHBondContact O-CG 3.4Å; C76-L80 PolarHBondContact O-N 2.91Å; C76-E297 HydrophobicContact CB-CB 4.46Å; C76-E297 HydrophobicContact CB-CG 4.07Å
77R83.3Confident83.3Confident93 Ų9344.8 Ų44.835%0.35123%0.228SC..Hα-helixtrans-61.4-35.8-169.8-64.4-172.8-173.5179.34.4113.7M75 L80 A81 E297 F413M75-R77 PolarHBondContact O-N 2.77Å; R77-L80 PolarHBondContact O-N 3.26Å; R77-A81 WeakPolarHBondContact O-CB 3.39Å; R77-A81 PolarHBondContact O-N 3.11Å; R77-E297 PolarHBondContact N-OE1 2.73Å; R77-F413 HydrophobicContact CB-CD1 3.79Å; R77-F413 HydrophobicContact CB-CE1 3.6Å; R77-F413 HydrophobicContact CB-CZ 4.48Å
78T83.9Confident81.2Confident21 Ų2153.7 Ų53.713%0.12927%0.267CS..Hα-helixtrans-68.3-42.4178-50.60000110.9C76 A81 Y82 E297 Y300 R301C76-T78 VanDerWaalsContact C-N 3.33Å; C76-T78 PolarHBondContact O-N 3.19Å; T78-A81 PolarHBondContact O-N 3.1Å; T78-Y82 WeakPolarHBondContact O-CB 3.2Å; T78-Y82 PolarHBondContact O-N 3.44Å; T78-E297 WeakPolarHBondContact CB-OE1 3.43Å; T78-E297 PolarHBondContact N-OE1 3.49Å; T78-E297 PolarHBondContact OG1-OE1 3.12Å; T78-Y300 HydrophobicContact CG2-CD1 3.96Å; T78-Y300 HydrophobicContact CG2-CE1 3.7Å; T78-R301 WeakPolarHBondContact OG1-CD 3.39Å; T78-R301 VanDerWaalsContact OG1-CG 3.28Å; T78-R301 WeakPolarHBondContact OG1-CG 3.46Å
79L85.1Confident79.4Confident56 Ų5654.8 Ų54.829%0.29327%0.273SS..Hα-helixtrans-62.4-44.8175.1-179.265.5000110.8C76 A81 Y82 L83 L293C76-L79 HydrophobicContact CB-CB 3.98Å; C76-L79 HydrophobicContact CB-CD2 4.33Å; C76-L79 WeakPolarHBondContact O-CB 3.35Å; C76-L79 PolarHBondContact O-N 2.83Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 2.96Å; L79-Y82 PolarHBondContact O-N 3.08Å; L79-L83 HydrophobicContact CD1-CD1 4.38Å; L79-L83 HydrophobicContact CD1-CG 4.34Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 HydrophobicContact CG-CG 4.41Å; L79-L83 WeakPolarHBondContact O-CB 3.49Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 3.1Å; L79-L293 HydrophobicContact CD2-CD1 4.23Å; L79-L293 HydrophobicContact CD2-CD2 3.85Å; L79-L293 HydrophobicContact CD2-CG 4.29Å
80L83.5Confident77.6Confident29 Ų2959.6 Ų59.615%0.15230%0.304CS..Hα-helixtrans-61.2-41.6175.5-69175.1000112.1P74 C76 R77 L83 R84 L98P74-L80 VanDerWaalsContact O-CD1 3.24Å; P74-L80 WeakPolarHBondContact O-CD1 3.32Å; C76-L80 WeakPolarHBondContact O-CG 3.4Å; C76-L80 PolarHBondContact O-N 2.91Å; R77-L80 PolarHBondContact O-N 3.26Å; L80-L83 PolarHBondContact O-N 3.16Å; L80-R84 VanDerWaalsContact O-CB 3.23Å; L80-R84 WeakPolarHBondContact O-CB 3.42Å; L80-R84 PolarHBondContact O-N 3.26Å; L80-L98 HydrophobicContact CD2-CD2 4.01Å
81A78.1Confident76.4Confident22 Ų2259.6 Ų59.618%0.18231%0.308CS..Hα-helixtrans-64.7-39.6176.100000112.1R77 T78 L79 G85R77-A81 WeakPolarHBondContact O-CB 3.39Å; R77-A81 PolarHBondContact O-N 3.11Å; T78-A81 PolarHBondContact O-N 3.1Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 2.96Å; A81-G85 PolarHBondContact O-N 3.07Å
82Y80.1Confident75.5Confident164 Ų16462.4 Ų62.464%0.64332%0.317SS*.Hα-helixtrans-65.9-48.6175178.9-96.3000111.9T78 L79 R84 G85 S86T78-Y82 WeakPolarHBondContact O-CB 3.2Å; T78-Y82 PolarHBondContact O-N 3.44Å; L79-Y82 PolarHBondContact O-N 3.08Å; Y82-R84 VanDerWaalsContact C-N 3.27Å; Y82-R84 PolarHBondContact O-N 3.01Å; Y82-G85 CarbonylContact O-C 2.94Å; Y82-G85 PolarHBondContact O-N 3.17Å; Y82-G85 VanDerWaalsContact O-N 3.12Å; Y82-S86 PolarHBondContact O-N 3.31Å
83L79.8Confident74.5Confident70 Ų7069.3 Ų69.337%0.36634%0.342SS..Hα-helixtrans-59.7-38.7177.1-71.9173.1000111.7L79 L80 V89 L98L79-L83 HydrophobicContact CD1-CD1 4.38Å; L79-L83 HydrophobicContact CD1-CG 4.34Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 HydrophobicContact CG-CG 4.41Å; L79-L83 WeakPolarHBondContact O-CB 3.49Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 3.1Å; L80-L83 PolarHBondContact O-N 3.16Å; L83-V89 VanDerWaalsContact O-CG2 3.28Å; L83-V89 WeakPolarHBondContact O-CG2 3.43Å; L83-L98 HydrophobicContact CB-CD1 4.2Å
84R73.6Confident73.8Confident13 Ų1369.4 Ų69.45%0.04935%0.346CS..Hα-helixtrans-62.7-44.3174.1-178-161-174.4120.625.7112.4L80 Y82 R95 L98 D99 G414 S415 E418L80-R84 VanDerWaalsContact O-CB 3.23Å; L80-R84 WeakPolarHBondContact O-CB 3.42Å; L80-R84 PolarHBondContact O-N 3.26Å; Y82-R84 VanDerWaalsContact C-N 3.27Å; Y82-R84 PolarHBondContact O-N 3.01Å; R84-R95 HydrophobicContact CG-CG 4.23Å; R84-R95 PolarHBondContact O-NE 3.19Å; R84-L98 HydrophobicContact CB-CD1 4.29Å; R84-D99 IonicContact CZ-OD1 2.81Å; R84-D99 VanDerWaalsContact CZ-OD1 3.28Å; R84-D99 IonicContact CZ-OD2 3.95Å; R84-D99 IonicContact NH1-OD1 2.79Å; R84-D99 PolarHBondContact NH1-OD1 3.12Å; R84-D99 IonicContact NH1-OD2 3.78Å; R84-D99 IonicContact NH2-OD1 2.87Å; R84-D99 PolarHBondContact NH2-OD1 3.39Å; R84-D99 IonicContact NH2-OD2 3.24Å; R84-D99 PolarHBondContact NH2-OD2 3.32Å; R84-G414 PolarHBondContact NH1-O 3.05Å; R84-S415 VanDerWaalsContact NH1-CA 3.32Å; R84-S415 VanDerWaalsContact NH1-N 3.12Å; R84-S415 PolarHBondContact NH1-O 3.37Å; R84-S415 PolarHBondContact NH2-O 3.06Å; R84-E418 IonicContact NE-OE1 2.67Å
85G61.5Low73.1Confident36 Ų3671.7 Ų71.737%0.37135%0.353SS..Hα-helixtrans-81.8-13.3-176.800000114.9A81 Y82A81-G85 PolarHBondContact O-N 3.07Å; Y82-G85 CarbonylContact O-C 2.94Å; Y82-G85 PolarHBondContact O-N 3.17Å; Y82-G85 VanDerWaalsContact O-N 3.12Å
86S63.5Low72.5Confident26 Ų2671 Ų7118%0.18235%0.348CS..SBendtrans-66.5134179.9-172.10000111.4Y82 K88 V89Y82-S86 PolarHBondContact O-N 3.31Å; S86-K88 PolarHBondContact O-N 2.96Å; S86-K88 PolarHBondContact OG-N 3.22Å; S86-V89 PolarHBondContact O-N 3.25Å; S86-V89 VanDerWaalsContact O-N 3.09Å
87Q53.4Low72.1Confident191 Ų19173.7 Ų73.789%0.89336%0.362SS*.THydrogen-bonded Turntrans-58.3-18.7174-68.2-178.5-1900112.7V89Q87-V89 VanDerWaalsContact C-N 3.27Å; Q87-V89 PolarHBondContact O-N 3.4Å
88K51.8Low71.9Confident187 Ų18771.1 Ų71.181%0.81336%0.355SS*.THydrogen-bonded Turntrans-72.8-10.8176.7-66-172.4177.5-177.50114.5S86 P90S86-K88 PolarHBondContact O-N 2.96Å; S86-K88 PolarHBondContact OG-N 3.22Å; K88-P90 WeakPolarHBondContact O-CD 3.18Å
89V57.3Low71.5Confident26 Ų2672.3 Ų72.316%0.15836%0.361CS..  trans-105.683.6171.3-174.90000108.9L83 S86 Q87 S91 T94 R95L83-V89 VanDerWaalsContact O-CG2 3.28Å; L83-V89 WeakPolarHBondContact O-CG2 3.43Å; S86-V89 PolarHBondContact O-N 3.25Å; S86-V89 VanDerWaalsContact O-N 3.09Å; Q87-V89 VanDerWaalsContact C-N 3.27Å; Q87-V89 PolarHBondContact O-N 3.4Å; V89-S91 VanDerWaalsContact C-N 3.32Å; V89-S91 PolarHBondContact O-N 2.68Å; V89-T94 HydrophobicContact CG1-CG2 3.65Å; V89-R95 HydrophobicContact CG1-CG 4.22Å; V89-R95 PolarHBondContact O-NH2 3.41Å
90P55.4Low71.3Confident115 Ų11574 Ų7475%0.74737%0.365SS*.  trans-76.2-20.4-175.229.6-36.3000112.9K88K88-P90 WeakPolarHBondContact O-CD 3.18Å
91S68.1Low71.3Confident49 Ų4974 Ų7434%0.34337%0.368SS..  trans-93.6123.2-171.5-174.30000112.8V89 R93 T94 R95V89-S91 VanDerWaalsContact C-N 3.32Å; V89-S91 PolarHBondContact O-N 2.68Å; S91-R93 PolarHBondContact O-N 2.71Å; S91-R93 VanDerWaalsContact O-N 3.16Å; S91-R93 PolarHBondContact OG-N 2.99Å; S91-T94 PolarHBondContact O-N 3.46Å; S91-R95 PolarHBondContact O-N 3.06Å
92R74.6Confident71.7Confident83 Ų8378.4 Ų78.431%0.31338%0.383SS..Hα-helixtrans-52.5-33.7171.1-60.7-175.1-173.9175.3-3.8112.4T94 R95 R96 E419 N422R92-T94 VanDerWaalsContact C-N 3.33Å; R92-T94 PolarHBondContact O-N 2.85Å; R92-R95 PolarHBondContact O-N 3.43Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 3.31Å; R92-R96 VanDerWaalsContact O-N 3.08Å; R92-E419 WeakPolarHBondContact CD-OE2 3.47Å; R92-E419 VanDerWaalsContact CG-OE2 3.31Å; R92-E419 WeakPolarHBondContact CG-OE2 3.28Å; R92-N422 PolarHBondContact NH2-O 2.91Å
93R73.1Confident72.1Confident156 Ų15673.6 Ų73.659%0.58937%0.371SS*.Hα-helixtrans-61.4-40.3178.1-67.3-173.9-172.9176.33.8112V14 S91 R96 L97V14-R93 HydrophobicContact CG2-CB 4.29Å; S91-R93 PolarHBondContact O-N 2.71Å; S91-R93 VanDerWaalsContact O-N 3.16Å; S91-R93 PolarHBondContact OG-N 2.99Å; R93-R96 PolarHBondContact O-N 2.96Å; R93-L97 PolarHBondContact O-N 2.93Å
94T74.7Confident72.5Confident63 Ų6372.9 Ų72.939%0.38737%0.367SS..Hα-helixtrans-71.8-38.2-179.9-49.20000111.4V89 S91 R92 R96 L97 L98V89-T94 HydrophobicContact CG1-CG2 3.65Å; S91-T94 PolarHBondContact O-N 3.46Å; R92-T94 VanDerWaalsContact C-N 3.33Å; R92-T94 PolarHBondContact O-N 2.85Å; T94-R96 PolarHBondContact O-N 3.19Å; T94-L97 WeakPolarHBondContact O-CB 3.37Å; T94-L97 PolarHBondContact O-N 2.8Å; T94-L97 VanDerWaalsContact O-N 3.15Å; T94-L98 PolarHBondContact O-N 2.91Å; T94-L98 VanDerWaalsContact O-N 3.11Å
95R76.8Confident73.4Confident55 Ų5573.5 Ų73.521%0.20837%0.37CS..Hα-helixtrans-61.9-42.7173.9-67.6176.2-176163.13.4112R84 V89 S91 R92 L97 L98 D99 E419R84-R95 HydrophobicContact CG-CG 4.23Å; R84-R95 PolarHBondContact O-NE 3.19Å; V89-R95 HydrophobicContact CG1-CG 4.22Å; V89-R95 PolarHBondContact O-NH2 3.41Å; S91-R95 PolarHBondContact O-N 3.06Å; R92-R95 PolarHBondContact O-N 3.43Å; R95-L97 PolarHBondContact O-N 2.97Å; R95-L98 PolarHBondContact O-N 3.26Å; R95-L98 VanDerWaalsContact O-N 3.16Å; R95-D99 PolarHBondContact O-N 2.97Å; R95-E419 WeakPolarHBondContact CD-OE1 3.47Å; R95-E419 IonicContact CZ-OE1 3.62Å; R95-E419 IonicContact NE-OE1 3.12Å; R95-E419 IonicContact NH1-OE1 4Å; R95-E419 PolarHBondContact NH1-OE1 3.3Å
96R76.8Confident74.9Confident36 Ų3675.7 Ų75.714%0.13637%0.373CS..Hα-helixtrans-62.8-29.8174.6-69.9177.777.9-161.1-4.1112.9A10 N11 R92 R93 T94 E571 Y572 N573A10-R96 PolarHBondContact O-NH1 3.38Å; N11-R96 PolarHBondContact OD1-NH2 3.37Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 3.31Å; R92-R96 VanDerWaalsContact O-N 3.08Å; R93-R96 PolarHBondContact O-N 2.96Å; T94-R96 PolarHBondContact O-N 3.19Å; R96-E571 IonicContact NH1-OE2 2.75Å; R96-Y572 PolarHBondContact NH2-O 3.48Å; R96-N573 PolarHBondContact NE-OD1 3.38Å; R96-N573 VanDerWaalsContact NE-OD1 3.15Å
97L79.3Confident76.3Confident57 Ų5776.1 Ų76.130%0.29837%0.374SS..Hα-helixtrans-68.7-45172.917963.4000111.4V14 C18 R93 T94 R95 D99 K100V14-L97 HydrophobicContact CG1-CB 4.06Å; V14-L97 HydrophobicContact CG1-CD1 4.25Å; V14-L97 HydrophobicContact CG1-CD2 4.22Å; V14-L97 HydrophobicContact CG1-CG 4.41Å; C18-L97 HydrophobicContact CB-CD1 3.85Å; R93-L97 PolarHBondContact O-N 2.93Å; T94-L97 WeakPolarHBondContact O-CB 3.37Å; T94-L97 PolarHBondContact O-N 2.8Å; T94-L97 VanDerWaalsContact O-N 3.15Å; R95-L97 PolarHBondContact O-N 2.97Å; L97-D99 PolarHBondContact O-N 2.75Å; L97-K100 PolarHBondContact O-N 2.75Å
98L78.7Confident78.2Confident38 Ų3867 Ų6720%0.19933%0.332CS..Hα-helixtrans-60.4-35176.7-63.9176000111.9L80 L83 R84 T94 R95 K100 S101L80-L98 HydrophobicContact CD2-CD2 4.01Å; L83-L98 HydrophobicContact CB-CD1 4.2Å; R84-L98 HydrophobicContact CB-CD1 4.29Å; T94-L98 PolarHBondContact O-N 2.91Å; T94-L98 VanDerWaalsContact O-N 3.11Å; R95-L98 PolarHBondContact O-N 3.26Å; R95-L98 VanDerWaalsContact O-N 3.16Å; L98-K100 PolarHBondContact O-N 2.88Å; L98-K100 VanDerWaalsContact O-N 3.15Å; L98-S101 VanDerWaalsContact O-CB 3.32Å; L98-S101 WeakPolarHBondContact O-CB 3.39Å; L98-S101 PolarHBondContact O-N 2.99Å; L98-S101 VanDerWaalsContact O-N 3.11Å; L98-S101 PolarHBondContact O-OG 2.8Å
99D76.1Confident80.3Confident47 Ų4759.1 Ų59.125%0.25130%0.303SS..THydrogen-bonded Turntrans-63.7-16.6175.1-71.3-26.9000113.6R84 R95 L97 P416R84-D99 IonicContact CZ-OD1 2.81Å; R84-D99 VanDerWaalsContact CZ-OD1 3.28Å; R84-D99 IonicContact CZ-OD2 3.95Å; R84-D99 IonicContact NH1-OD1 2.79Å; R84-D99 PolarHBondContact NH1-OD1 3.12Å; R84-D99 IonicContact NH1-OD2 3.78Å; R84-D99 IonicContact NH2-OD1 2.87Å; R84-D99 PolarHBondContact NH2-OD1 3.39Å; R84-D99 IonicContact NH2-OD2 3.24Å; R84-D99 PolarHBondContact NH2-OD2 3.32Å; R95-D99 PolarHBondContact O-N 2.97Å; L97-D99 PolarHBondContact O-N 2.75Å; D99-P416 HydrophobicContact CB-CG 4.16Å; D99-P416 WeakPolarHBondContact OD2-CG 3.49Å
100K80.5Confident82.1Confident91 Ų9162.7 Ų62.740%0.39632%0.321SS..THydrogen-bonded Turntrans-97.210.9176.7-60.4-60.8-176.6-175.80113.5L97 L98 K102 T103 L104L97-K100 PolarHBondContact O-N 2.75Å; L98-K100 PolarHBondContact O-N 2.88Å; L98-K100 VanDerWaalsContact O-N 3.15Å; K100-K102 VanDerWaalsContact C-N 3.27Å; K100-K102 PolarHBondContact O-N 2.78Å; K100-T103 WeakPolarHBondContact O-CA 3.07Å; K100-T103 VanDerWaalsContact O-CB 3.28Å; K100-T103 WeakPolarHBondContact O-CB 3.22Å; K100-T103 PolarHBondContact O-N 2.64Å; K100-L104 PolarHBondContact O-N 2.79Å
101S85.1Confident84Confident28 Ų2858.1 Ų58.120%0.19629%0.29CS..Hα-helixtrans-50.7-42.5-179.966.50000113.4P74 L98 T103 L104 H105P74-S101 WeakPolarHBondContact CB-O 3.35Å; L98-S101 VanDerWaalsContact O-CB 3.32Å; L98-S101 WeakPolarHBondContact O-CB 3.39Å; L98-S101 PolarHBondContact O-N 2.99Å; L98-S101 VanDerWaalsContact O-N 3.11Å; L98-S101 PolarHBondContact O-OG 2.8Å; S101-T103 PolarHBondContact O-N 3.14Å; S101-L104 WeakPolarHBondContact O-CA 3.39Å; S101-L104 WeakPolarHBondContact O-CB 3.47Å; S101-L104 PolarHBondContact O-N 3.26Å; S101-H105 PolarHBondContact O-N 3.09Å
102K86Confident85.4Confident115 Ų11556.2 Ų56.250%0.528%0.276SS..Hα-helixtrans-57.9-35.6175.9-176.3178.1179.6177.30112.8K100 H105 I106K100-K102 VanDerWaalsContact C-N 3.27Å; K100-K102 PolarHBondContact O-N 2.78Å; K102-H105 PolarHBondContact O-N 3.24Å; K102-I106 HydrophobicContact CG-CD1 4.24Å; K102-I106 WeakPolarHBondContact O-CG1 3.3Å; K102-I106 PolarHBondContact O-N 2.92Å
103T87.4Confident86.4Confident64 Ų6454.2 Ų54.239%0.39327%0.274SS..Hα-helixtrans-66.4-42.5177-52.40000110.2K100 S101 H105 I106 T107K100-T103 WeakPolarHBondContact O-CA 3.07Å; K100-T103 VanDerWaalsContact O-CB 3.28Å; K100-T103 WeakPolarHBondContact O-CB 3.22Å; K100-T103 PolarHBondContact O-N 2.64Å; S101-T103 PolarHBondContact O-N 3.14Å; T103-H105 PolarHBondContact O-N 3.03Å; T103-I106 PolarHBondContact O-N 3.16Å; T103-T107 PolarHBondContact O-N 2.71Å; T103-T107 PolarHBondContact O-OG1 3.47Å
104L89.3Confident87.5Confident55 Ų5550.9 Ų50.929%0.28827%0.272SS..Hα-helixtrans-60.8-42.8176-176.663.9000111.9P74 K100 S101 I106 T107 C108P74-L104 HydrophobicContact CG-CB 4.41Å; P74-L104 HydrophobicContact CG-CD2 4.19Å; P74-L104 HydrophobicContact CG-CG 4.32Å; K100-L104 PolarHBondContact O-N 2.79Å; S101-L104 WeakPolarHBondContact O-CA 3.39Å; S101-L104 WeakPolarHBondContact O-CB 3.47Å; S101-L104 PolarHBondContact O-N 3.26Å; L104-I106 PolarHBondContact O-N 2.64Å; L104-T107 VanDerWaalsContact CA-OG1 3.3Å; L104-T107 WeakPolarHBondContact CA-OG1 3.39Å; L104-T107 PolarHBondContact O-N 2.75Å; L104-T107 PolarHBondContact O-OG1 3.2Å; L104-C108 PolarHBondContact O-N 3.08Å; L104-C108 PolarHBondContact O-SG 3.19Å
105H92.7Very high88.6Confident26 Ų2650.1 Ų50.112%0.1226%0.263CS..Hα-helixtrans-58.2-46.3175.2173.490.1000112.3I71 P74 M75 S101 K102 T103 C108 G109 H194I71-H105 VanDerWaalsContact CG1-ND1 3.31Å; I71-H105 WeakPolarHBondContact CG1-ND1 3.38Å; I71-H105 PolarHBondContact O-ND1 2.96Å; P74-H105 HydrophobicContact CB-CB 3.95Å; P74-H105 HydrophobicContact CG-CB 4.22Å; M75-H105 HydrophobicContact CE-CB 3.65Å; M75-H105 WeakPolarHBondContact CE-CD2 3.32Å; M75-H105 WeakPolarHBondContact CE-ND1 3.33Å; S101-H105 PolarHBondContact O-N 3.09Å; K102-H105 PolarHBondContact O-N 3.24Å; T103-H105 PolarHBondContact O-N 3.03Å; H105-C108 PolarHBondContact O-N 3.32Å; H105-G109 PolarHBondContact O-N 3.39Å; H105-H194 AromaticContact NE2-NE2 3.88Å
106I92.2Very high89.5Confident81 Ų8148.4 Ų48.442%0.41526%0.259SS..Hα-helixtrans-64.6-42.8179.5-65165.9000110.6K102 T103 L104 G109 I110K102-I106 HydrophobicContact CG-CD1 4.24Å; K102-I106 WeakPolarHBondContact O-CG1 3.3Å; K102-I106 PolarHBondContact O-N 2.92Å; T103-I106 PolarHBondContact O-N 3.16Å; L104-I106 PolarHBondContact O-N 2.64Å; I106-G109 PolarHBondContact O-N 3.39Å; I106-I110 HydrophobicContact CG2-CD1 4.02Å; I106-I110 WeakPolarHBondContact O-CG1 3.33Å; I106-I110 PolarHBondContact O-N 2.72Å
107T92.2Very high90.5Very high35 Ų3548.8 Ų48.822%0.21527%0.274CS..Hα-helixtrans-64.7-39.7177.449.10000112.3L19 T103 L104 T111L19-T107 HydrophobicContact CD1-CG2 4.33Å; T103-T107 PolarHBondContact O-N 2.71Å; T103-T107 PolarHBondContact O-OG1 3.47Å; L104-T107 VanDerWaalsContact CA-OG1 3.3Å; L104-T107 WeakPolarHBondContact CA-OG1 3.39Å; L104-T107 PolarHBondContact O-N 2.75Å; L104-T107 PolarHBondContact O-OG1 3.2Å; T107-T111 WeakPolarHBondContact O-CB 3.41Å; T107-T111 PolarHBondContact O-N 3.37Å; T107-T111 VanDerWaalsContact O-N 3.1Å; T107-T111 PolarHBondContact O-OG1 3.44Å
108C94.8Very high91.3Very high0 Ų048.7 Ų48.70%028%0.276CS..Hα-helixtrans-61.8-44.6172.1-68.60000111I71 L104 H105 I110 T111 I112I71-C108 HydrophobicContact CB-CB 4.16Å; I71-C108 HydrophobicContact CD1-CB 4.42Å; I71-C108 HydrophobicContact CG1-CB 4.25Å; L104-C108 PolarHBondContact O-N 3.08Å; L104-C108 PolarHBondContact O-SG 3.19Å; H105-C108 PolarHBondContact O-N 3.32Å; C108-I110 PolarHBondContact O-N 3.42Å; C108-T111 WeakPolarHBondContact O-CB 3.44Å; C108-T111 PolarHBondContact O-N 3.35Å; C108-I112 WeakPolarHBondContact O-CG1 3.46Å; C108-I112 PolarHBondContact O-N 2.91Å
109G95Very high92.1Very high21 Ų2148 Ų4822%0.21627%0.272CS..Hα-helixtrans-58.5-47178.100000113.1H105 I106 T111 I112 C113H105-G109 PolarHBondContact O-N 3.39Å; I106-G109 PolarHBondContact O-N 3.39Å; G109-T111 VanDerWaalsContact C-N 3.29Å; G109-T111 PolarHBondContact O-N 3.19Å; G109-I112 PolarHBondContact O-N 3.2Å; G109-C113 PolarHBondContact O-N 3.11Å; G109-C113 VanDerWaalsContact O-N 3.07Å; G109-C113 PolarHBondContact O-SG 3.46Å
110I95.1Very high93.1Very high102 Ų10248.5 Ų48.552%0.52328%0.276SS..Hα-helixtrans-60.3-41.8175.8-67167.1000110.8I106 C108 C113 V114I106-I110 HydrophobicContact CG2-CD1 4.02Å; I106-I110 WeakPolarHBondContact O-CG1 3.33Å; I106-I110 PolarHBondContact O-N 2.72Å; C108-I110 PolarHBondContact O-N 3.42Å; I110-C113 WeakPolarHBondContact O-CB 3.36Å; I110-C113 PolarHBondContact O-N 2.96Å; I110-V114 WeakPolarHBondContact O-CG2 3.45Å; I110-V114 PolarHBondContact O-N 3.18Å
111T95.8Very high93.8Very high18 Ų1847 Ų4711%0.1128%0.281CS..Hα-helixtrans-65.5-41.8179.9-54.30000111.7W22 V63 T107 C108 G109 C113 V114 F115W22-T111 HydrophobicContact CH2-CG2 4.09Å; W22-T111 WeakPolarHBondContact CH2-OG1 3.31Å; W22-T111 HydrophobicContact CZ2-CG2 3.97Å; W22-T111 WeakPolarHBondContact CZ2-OG1 3.29Å; V63-T111 HydrophobicContact CG1-CG2 4.37Å; T107-T111 WeakPolarHBondContact O-CB 3.41Å; T107-T111 PolarHBondContact O-N 3.37Å; T107-T111 VanDerWaalsContact O-N 3.1Å; T107-T111 PolarHBondContact O-OG1 3.44Å; C108-T111 WeakPolarHBondContact O-CB 3.44Å; C108-T111 PolarHBondContact O-N 3.35Å; G109-T111 VanDerWaalsContact C-N 3.29Å; G109-T111 PolarHBondContact O-N 3.19Å; T111-C113 VanDerWaalsContact C-N 3.28Å; T111-C113 PolarHBondContact O-N 2.84Å; T111-V114 PolarHBondContact O-N 3.41Å; T111-F115 HydrophobicContact CG2-CD2 3.64Å; T111-F115 HydrophobicContact CG2-CE2 3.9Å; T111-F115 WeakPolarHBondContact O-CD2 3.49Å; T111-F115 PolarHBondContact O-N 3.2Å
112I96.8Very high94.3Very high9 Ų945.9 Ų45.95%0.04627%0.274CS..Hα-helixtrans-58.2-43.5173.3-68.6165.9000110L64 N67 I71 C108 G109 S116 L171L64-I112 HydrophobicContact CD2-CB 4.37Å; L64-I112 HydrophobicContact CD2-CG2 4.11Å; L64-I112 WeakPolarHBondContact CD2-O 3.49Å; N67-I112 HydrophobicContact CB-CD1 4.16Å; N67-I112 HydrophobicContact CB-CG1 3.68Å; I71-I112 HydrophobicContact CB-CD1 4.33Å; I71-I112 HydrophobicContact CD1-CD1 3.71Å; I71-I112 HydrophobicContact CG2-CD1 4.32Å; C108-I112 WeakPolarHBondContact O-CG1 3.46Å; C108-I112 PolarHBondContact O-N 2.91Å; G109-I112 PolarHBondContact O-N 3.2Å; I112-S116 WeakPolarHBondContact O-CB 3.5Å; I112-S116 PolarHBondContact O-N 2.93Å; I112-S116 PolarHBondContact O-OG 3.27Å; I112-L171 HydrophobicContact CG2-CD1 4.34Å; I112-L171 HydrophobicContact CG2-CD2 4.31Å
113C96Very high94.6Very high41 Ų4142.8 Ų42.828%0.27726%0.261SS..Hα-helixtrans-61.5-49.7178.3-59.70000112G109 I110 T111 S116 G117 V175G109-C113 PolarHBondContact O-N 3.11Å; G109-C113 VanDerWaalsContact O-N 3.07Å; G109-C113 PolarHBondContact O-SG 3.46Å; I110-C113 WeakPolarHBondContact O-CB 3.36Å; I110-C113 PolarHBondContact O-N 2.96Å; T111-C113 VanDerWaalsContact C-N 3.28Å; T111-C113 PolarHBondContact O-N 2.84Å; C113-S116 PolarHBondContact O-N 3.41Å; C113-G117 PolarHBondContact O-N 2.84Å; C113-G117 VanDerWaalsContact O-N 3.12Å; C113-V175 WeakPolarHBondContact SG-CG2 3.24Å
114V96.4Very high94.9Very high87 Ų8744 Ų4453%0.52726%0.264SS..Hα-helixtrans-62.3-50.7-178.3171.10000111I110 T111 S116 G117 V118I110-V114 WeakPolarHBondContact O-CG2 3.45Å; I110-V114 PolarHBondContact O-N 3.18Å; T111-V114 PolarHBondContact O-N 3.41Å; V114-S116 VanDerWaalsContact C-N 3.32Å; V114-S116 PolarHBondContact O-N 3.2Å; V114-G117 PolarHBondContact O-N 2.79Å; V114-V118 PolarHBondContact O-N 3.38Å; V114-V118 VanDerWaalsContact O-N 3.16Å
115F97.3Very high95.1Very high47 Ų4745.9 Ų45.921%0.20627%0.273CS..Hα-helixtrans-73.4-23.4-178.9-79.7-83.6000113F30 V63 L64 T111 V118 H119F30-F115 HydrophobicContact CD2-CD1 4.4Å; F30-F115 AromaticContact CD2-CE1 3.68Å; F30-F115 HydrophobicContact CD2-CE1 3.68Å; F30-F115 HydrophobicContact CE2-CD1 4.41Å; F30-F115 AromaticContact CE2-CE1 3.85Å; F30-F115 HydrophobicContact CE2-CE1 3.85Å; V63-F115 HydrophobicContact CB-CD1 4.18Å; V63-F115 HydrophobicContact CB-CE1 4.38Å; V63-F115 HydrophobicContact CB-CG 4.29Å; V63-F115 HydrophobicContact CG1-CB 4.28Å; V63-F115 HydrophobicContact CG1-CD1 3.93Å; V63-F115 HydrophobicContact CG1-CD2 3.55Å; V63-F115 HydrophobicContact CG1-CE1 4.11Å; V63-F115 HydrophobicContact CG1-CE2 3.74Å; V63-F115 HydrophobicContact CG1-CG 3.64Å; V63-F115 HydrophobicContact CG1-CZ 4.01Å; V63-F115 HydrophobicContact CG2-CE1 4.28Å; L64-F115 HydrophobicContact CD2-CB 3.91Å; L64-F115 HydrophobicContact CG-CB 4.06Å; T111-F115 HydrophobicContact CG2-CD2 3.64Å; T111-F115 HydrophobicContact CG2-CE2 3.9Å; T111-F115 WeakPolarHBondContact O-CD2 3.49Å; T111-F115 PolarHBondContact O-N 3.2Å; F115-V118 PolarHBondContact O-N 3.24Å; F115-H119 WeakPolarHBondContact O-CB 3.07Å; F115-H119 PolarHBondContact O-N 2.73Å
116S96.9Very high95.1Very high19 Ų1944.9 Ų44.913%0.13327%0.268CS..Hα-helixtrans-65.4-41.2169.6-63.20000110.7I112 C113 V114 H119 V120I112-S116 WeakPolarHBondContact O-CB 3.5Å; I112-S116 PolarHBondContact O-N 2.93Å; I112-S116 PolarHBondContact O-OG 3.27Å; C113-S116 PolarHBondContact O-N 3.41Å; V114-S116 VanDerWaalsContact C-N 3.32Å; V114-S116 PolarHBondContact O-N 3.2Å; S116-H119 PolarHBondContact O-N 3.47Å; S116-V120 WeakPolarHBondContact O-CB 3.2Å; S116-V120 VanDerWaalsContact O-CG2 3.26Å; S116-V120 WeakPolarHBondContact O-CG2 3.43Å; S116-V120 PolarHBondContact O-N 3.08Å
117G96.6Very high95Very high44 Ų4441.5 Ų41.545%0.45425%0.253SS..Hα-helixtrans-59.8-47.9173.500000112.4C113 V114 H119 V120 A121C113-G117 PolarHBondContact O-N 2.84Å; C113-G117 VanDerWaalsContact O-N 3.12Å; V114-G117 PolarHBondContact O-N 2.79Å; G117-H119 VanDerWaalsContact C-N 3.33Å; G117-H119 PolarHBondContact O-N 3.15Å; G117-V120 PolarHBondContact O-N 3.33Å; G117-A121 WeakPolarHBondContact O-CB 3.36Å; G117-A121 PolarHBondContact O-N 3.49Å
118V96.8Very high95Very high55 Ų5544 Ų4433%0.33326%0.264SS..Hα-helixtrans-60.5-43.1175.4176.20000111.4V114 F115 A121 A122V114-V118 PolarHBondContact O-N 3.38Å; V114-V118 VanDerWaalsContact O-N 3.16Å; F115-V118 PolarHBondContact O-N 3.24Å; V118-A121 PolarHBondContact O-N 3.14Å; V118-A122 WeakPolarHBondContact O-CB 3.4Å; V118-A122 PolarHBondContact O-N 2.93Å
119H96.3Very high94.8Very high24 Ų2445.2 Ų45.211%0.11127%0.271CS..Hα-helixtrans-63.7-46.4-179.5-17772.8000112.1S57 S60 L64 F115 S116 G117 A122 H123S57-H119 PolarHBondContact O-ND1 3.04Å; S57-H119 VanDerWaalsContact O-ND1 3.07Å; S60-H119 WeakPolarHBondContact OG-CA 3.42Å; S60-H119 WeakPolarHBondContact OG-CB 3.43Å; S60-H119 PolarHBondContact OG-ND1 3.17Å; L64-H119 HydrophobicContact CD1-CB 3.83Å; F115-H119 WeakPolarHBondContact O-CB 3.07Å; F115-H119 PolarHBondContact O-N 2.73Å; S116-H119 PolarHBondContact O-N 3.47Å; G117-H119 VanDerWaalsContact C-N 3.33Å; G117-H119 PolarHBondContact O-N 3.15Å; H119-A122 PolarHBondContact O-N 3.25Å; H119-H123 AromaticContact CD2-CD2 3.72Å; H119-H123 AromaticContact CE1-CD2 3.26Å; H119-H123 PolarHBondContact CE1-CD2 3.32Å; H119-H123 AromaticContact CE1-NE2 3.06Å; H119-H123 PolarHBondContact CE1-NE2 3.42Å; H119-H123 AromaticContact CG-CD2 3.97Å; H119-H123 AromaticContact ND1-CD2 3.71Å; H119-H123 AromaticContact ND1-NE2 3.83Å; H119-H123 AromaticContact NE2-CD2 3.27Å; H119-H123 PolarHBondContact NE2-CD2 3.04Å; H119-H123 VanDerWaalsContact NE2-CD2 3.27Å; H119-H123 AromaticContact NE2-NE2 3.36Å; H119-H123 PolarHBondContact NE2-NE2 3.14Å; H119-H123 PolarHBondContact O-CD2 3.49Å; H119-H123 VanDerWaalsContact O-CD2 3.31Å; H119-H123 PolarHBondContact O-N 3.44Å
120V95.8Very high94.6Very high56 Ų5644.4 Ų44.434%0.33926%0.261SS..Hα-helixtrans-62.1-47.5175.9172.10000110.6S116 G117 A122 H123 L124 V168S116-V120 WeakPolarHBondContact O-CB 3.2Å; S116-V120 VanDerWaalsContact O-CG2 3.26Å; S116-V120 WeakPolarHBondContact O-CG2 3.43Å; S116-V120 PolarHBondContact O-N 3.08Å; G117-V120 PolarHBondContact O-N 3.33Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 2.98Å; V120-H123 PolarHBondContact O-N 2.97Å; V120-H123 VanDerWaalsContact O-N 3.13Å; V120-L124 HydrophobicContact CG1-CD1 4.21Å; V120-L124 HydrophobicContact CG1-CG 4.44Å; V120-L124 WeakPolarHBondContact O-CG 3.43Å; V120-L124 PolarHBondContact O-N 3.3Å; V120-V168 HydrophobicContact CG2-CG2 3.63Å
121A95.6Very high94.3Very high59 Ų5940 Ų4049%0.48824%0.239SC..Hα-helixtrans-58.9-43.2178.200000112.1G117 V118 H123 L124 M125G117-A121 WeakPolarHBondContact O-CB 3.36Å; G117-A121 PolarHBondContact O-N 3.49Å; V118-A121 PolarHBondContact O-N 3.14Å; A121-H123 PolarHBondContact O-N 2.91Å; A121-L124 PolarHBondContact O-N 3.46Å; A121-M125 PolarHBondContact O-N 3.24Å; A121-M125 VanDerWaalsContact O-N 3.13Å
122A95.6Very high94Very high6 Ų643 Ų435%0.0526%0.257CS..Hα-helixtrans-64.4-38.9175.800000112.3L56 V118 H119 V120 M125 N126L56-A122 HydrophobicContact CB-CB 3.85Å; V118-A122 WeakPolarHBondContact O-CB 3.4Å; V118-A122 PolarHBondContact O-N 2.93Å; H119-A122 PolarHBondContact O-N 3.25Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 2.98Å; A122-M125 PolarHBondContact O-N 3.34Å; A122-N126 PolarHBondContact O-N 3.43Å; A122-N126 PolarHBondContact O-ND2 2.9Å
123H93Very high93.5Very high50 Ų5046 Ų4623%0.23127%0.273CS..Hα-helixtrans-68.7-33.8175.9-89.5-68000113.7H119 V120 A121 N126 A127H119-H123 AromaticContact CD2-CD2 3.72Å; H119-H123 AromaticContact CE1-CD2 3.26Å; H119-H123 PolarHBondContact CE1-CD2 3.32Å; H119-H123 AromaticContact CE1-NE2 3.06Å; H119-H123 PolarHBondContact CE1-NE2 3.42Å; H119-H123 AromaticContact CG-CD2 3.97Å; H119-H123 AromaticContact ND1-CD2 3.71Å; H119-H123 AromaticContact ND1-NE2 3.83Å; H119-H123 AromaticContact NE2-CD2 3.27Å; H119-H123 PolarHBondContact NE2-CD2 3.04Å; H119-H123 VanDerWaalsContact NE2-CD2 3.27Å; H119-H123 AromaticContact NE2-NE2 3.36Å; H119-H123 PolarHBondContact NE2-NE2 3.14Å; H119-H123 PolarHBondContact O-CD2 3.49Å; H119-H123 VanDerWaalsContact O-CD2 3.31Å; H119-H123 PolarHBondContact O-N 3.44Å; V120-H123 PolarHBondContact O-N 2.97Å; V120-H123 VanDerWaalsContact O-N 3.13Å; A121-H123 PolarHBondContact O-N 2.91Å; H123-N126 PolarHBondContact O-N 2.98Å; H123-A127 WeakPolarHBondContact O-CB 3.24Å; H123-A127 PolarHBondContact O-N 2.86Å
124L93.1Very high93.1Very high88 Ų8846 Ų4646%0.46127%0.268SS..Hα-helixtrans-63.9-42.8172-68.6172.6000111.1V120 A121 A127 L128V120-L124 HydrophobicContact CG1-CD1 4.21Å; V120-L124 HydrophobicContact CG1-CG 4.44Å; V120-L124 WeakPolarHBondContact O-CG 3.43Å; V120-L124 PolarHBondContact O-N 3.3Å; A121-L124 PolarHBondContact O-N 3.46Å; L124-A127 PolarHBondContact O-N 2.88Å; L124-L128 WeakPolarHBondContact O-CG 3.29Å; L124-L128 PolarHBondContact O-N 3.14Å; L124-L128 VanDerWaalsContact O-N 3.14Å
125M93.2Very high92.6Very high96 Ų9643.1 Ų43.147%0.47325%0.252SS..Hα-helixtrans-61.6-43.4172.9-172.666.4-175.600111.6A121 A122 A127 L128 N129A121-M125 PolarHBondContact O-N 3.24Å; A121-M125 VanDerWaalsContact O-N 3.13Å; A122-M125 PolarHBondContact O-N 3.34Å; M125-A127 VanDerWaalsContact C-N 3.33Å; M125-A127 PolarHBondContact O-N 3.4Å; M125-L128 WeakPolarHBondContact O-CB 3.29Å; M125-L128 PolarHBondContact O-N 2.82Å; M125-N129 VanDerWaalsContact O-CG 3.32Å; M125-N129 PolarHBondContact O-N 3.16Å
126N92.4Very high91.8Very high4 Ų448.1 Ų48.12%0.02128%0.276CS..Hα-helixtrans-64.3-37.4177.6-68.6-24.3000112.5L50 G53 L54 S57 A122 H123 L128 N129 F130L50-N126 HydrophobicContact CD2-CB 4.16Å; G53-N126 VanDerWaalsContact C-ND2 3.34Å; G53-N126 WeakPolarHBondContact CA-OD1 3.34Å; G53-N126 PolarHBondContact O-ND2 3.37Å; G53-N126 PolarHBondContact O-OD1 3.11Å; L54-N126 PolarHBondContact N-OD1 2.85Å; L54-N126 VanDerWaalsContact N-OD1 3.08Å; S57-N126 WeakPolarHBondContact CB-ND2 3.17Å; S57-N126 PolarHBondContact OG-ND2 3.43Å; A122-N126 PolarHBondContact O-N 3.43Å; A122-N126 PolarHBondContact O-ND2 2.9Å; H123-N126 PolarHBondContact O-N 2.98Å; N126-L128 VanDerWaalsContact C-N 3.32Å; N126-L128 PolarHBondContact O-N 2.77Å; N126-N129 PolarHBondContact O-N 3Å; N126-F130 WeakPolarHBondContact O-CB 3.39Å; N126-F130 WeakPolarHBondContact O-CD2 3.37Å; N126-F130 PolarHBondContact O-N 3.42Å
127A91Very high90.8Very high11 Ų1152.9 Ų52.99%0.09130%0.3CS..Hα-helixtrans-64.1-38.9176.400000111.8H123 L124 M125 S131 P151 L154H123-A127 WeakPolarHBondContact O-CB 3.24Å; H123-A127 PolarHBondContact O-N 2.86Å; L124-A127 PolarHBondContact O-N 2.88Å; M125-A127 VanDerWaalsContact C-N 3.33Å; M125-A127 PolarHBondContact O-N 3.4Å; A127-S131 PolarHBondContact O-N 2.82Å; A127-P151 HydrophobicContact CB-CB 4.15Å; A127-L154 HydrophobicContact CB-CD2 3.91Å
128L91.8Very high90Very high88 Ų8853.3 Ų53.346%0.46129%0.289SS..Hα-helixtrans-64.5-47.1172.4-70.6164.3000111.3L124 M125 N126 F130 S131 V132 P151L124-L128 WeakPolarHBondContact O-CG 3.29Å; L124-L128 PolarHBondContact O-N 3.14Å; L124-L128 VanDerWaalsContact O-N 3.14Å; M125-L128 WeakPolarHBondContact O-CB 3.29Å; M125-L128 PolarHBondContact O-N 2.82Å; N126-L128 VanDerWaalsContact C-N 3.32Å; N126-L128 PolarHBondContact O-N 2.77Å; L128-F130 VanDerWaalsContact C-N 3.35Å; L128-F130 PolarHBondContact O-N 2.84Å; L128-S131 WeakPolarHBondContact O-CB 3.24Å; L128-S131 PolarHBondContact O-N 2.72Å; L128-S131 VanDerWaalsContact O-N 3.09Å; L128-V132 PolarHBondContact O-N 3.17Å; L128-P151 HydrophobicContact CD2-CB 4.36Å; L128-P151 HydrophobicContact CD2-CG 3.59Å; L128-P151 HydrophobicContact CG-CG 4.31Å
129N90.9Very high89.2Confident25 Ų2556 Ų5613%0.13430%0.302CS..Hα-helixtrans-65.1-36.9-179.3-70.9-10.5000112.4L50 M125 N126 S131 N133L50-N129 HydrophobicContact CD2-CB 3.97Å; L50-N129 PolarHBondContact O-ND2 2.83Å; M125-N129 VanDerWaalsContact O-CG 3.32Å; M125-N129 PolarHBondContact O-N 3.16Å; N126-N129 PolarHBondContact O-N 3Å; N129-S131 VanDerWaalsContact C-N 3.25Å; N129-S131 PolarHBondContact O-N 2.78Å; N129-N133 WeakPolarHBondContact O-CA 3.48Å; N129-N133 VanDerWaalsContact O-CB 3.27Å; N129-N133 WeakPolarHBondContact O-CB 3.39Å; N129-N133 PolarHBondContact O-N 2.87Å
130F89.3Confident88.4Confident3 Ų360.4 Ų60.41%0.01332%0.322CS..Hα-helixtrans-63.7-30.1172.9-85.4-55.2000113.5M49 L50 N126 L128 L141 A143 A144 L154 L212 L213M49-F130 HydrophobicContact CE-CD1 4.37Å; L50-F130 HydrophobicContact CD1-CE1 4.21Å; L50-F130 HydrophobicContact CD1-CE2 3.85Å; L50-F130 HydrophobicContact CD1-CZ 3.59Å; L50-F130 HydrophobicContact CD2-CD1 3.83Å; L50-F130 HydrophobicContact CD2-CD2 3.65Å; L50-F130 HydrophobicContact CD2-CE1 3.83Å; L50-F130 HydrophobicContact CD2-CE2 3.66Å; L50-F130 HydrophobicContact CD2-CG 3.74Å; L50-F130 HydrophobicContact CD2-CZ 3.77Å; L50-F130 HydrophobicContact CG-CE1 4.25Å; L50-F130 HydrophobicContact CG-CE2 4.34Å; L50-F130 HydrophobicContact CG-CZ 4.1Å; N126-F130 WeakPolarHBondContact O-CB 3.39Å; N126-F130 WeakPolarHBondContact O-CD2 3.37Å; N126-F130 PolarHBondContact O-N 3.42Å; L128-F130 VanDerWaalsContact C-N 3.35Å; L128-F130 PolarHBondContact O-N 2.84Å; F130-L141 WeakPolarHBondContact CE1-O 3.5Å; F130-A143 HydrophobicContact CB-CB 4.36Å; F130-A143 HydrophobicContact CD1-CB 3.82Å; F130-A143 HydrophobicContact CD2-CB 3.71Å; F130-A143 HydrophobicContact CE1-CB 3.91Å; F130-A143 HydrophobicContact CE2-CB 3.79Å; F130-A143 HydrophobicContact CG-CB 3.72Å; F130-A143 HydrophobicContact CZ-CB 3.88Å; F130-A144 WeakPolarHBondContact O-CB 3.13Å; F130-L154 HydrophobicContact CB-CD2 4.28Å; F130-L154 HydrophobicContact CD2-CD2 4.25Å; F130-L212 HydrophobicContact CE2-CD2 4.07Å; F130-L213 HydrophobicContact CE2-CD2 4.31Å; F130-L213 HydrophobicContact CZ-CD2 4Å
131S89.3Confident87.7Confident10 Ų1057.9 Ų57.97%0.0731%0.306CS..Hα-helixtrans-77.1-46.8177.81770000111.7A127 L128 N129 N148 E149A127-S131 PolarHBondContact O-N 2.82Å; L128-S131 WeakPolarHBondContact O-CB 3.24Å; L128-S131 PolarHBondContact O-N 2.72Å; L128-S131 VanDerWaalsContact O-N 3.09Å; N129-S131 VanDerWaalsContact C-N 3.25Å; N129-S131 PolarHBondContact O-N 2.78Å; S131-N148 PolarHBondContact O-N 2.71Å; S131-N148 VanDerWaalsContact OG-C 3.28Å; S131-N148 VanDerWaalsContact OG-CA 3.3Å; S131-N148 WeakPolarHBondContact OG-CA 3.31Å; S131-E149 VanDerWaalsContact CB-O 3.25Å; S131-E149 WeakPolarHBondContact CB-O 3.41Å; S131-E149 PolarHBondContact OG-N 3.34Å; S131-E149 PolarHBondContact OG-O 3.19Å
132V89.2Confident87.2Confident80 Ų8056 Ų5649%0.48529%0.289SS..Hα-helixtrans-78.2-44.7-175.6177.20000112.1L128 Y134L128-V132 PolarHBondContact O-N 3.17Å; V132-Y134 VanDerWaalsContact C-N 3.27Å; V132-Y134 PolarHBondContact O-N 3.07Å
133N87.9Confident86.5Confident72 Ų7256.8 Ų56.839%0.38529%0.294SS..THydrogen-bonded Turntrans-94.332.5-175.6-57.6-30.4000112.2M49 N129 S135M49-N133 PolarHBondContact O-ND2 3.47Å; N129-N133 WeakPolarHBondContact O-CA 3.48Å; N129-N133 VanDerWaalsContact O-CB 3.27Å; N129-N133 WeakPolarHBondContact O-CB 3.39Å; N129-N133 PolarHBondContact O-N 2.87Å; N133-S135 PolarHBondContact O-N 3.4Å
134Y87.3Confident86Confident41 Ų4154.8 Ų54.816%0.16129%0.287CS..  trans-59.4129.2174.9179.8-88.1000110.1V132 E136 L139 N142 A144 R145 Q147V132-Y134 VanDerWaalsContact C-N 3.27Å; V132-Y134 PolarHBondContact O-N 3.07Å; Y134-E136 HydrophobicContact CD1-CG 4.44Å; Y134-E136 HydrophobicContact CE1-CG 3.87Å; Y134-L139 VanDerWaalsContact OH-CD2 3.28Å; Y134-L139 WeakPolarHBondContact OH-CD2 3.47Å; Y134-N142 HydrophobicContact CD2-CB 3.94Å; Y134-N142 HydrophobicContact CE2-CB 3.86Å; Y134-N142 WeakPolarHBondContact CE2-ND2 3.44Å; Y134-A144 HydrophobicContact CD2-CB 4.29Å; Y134-A144 WeakPolarHBondContact CE2-O 3.24Å; Y134-R145 PolarHBondContact OH-O 3.09Å; Y134-Q147 HydrophobicContact CD1-CB 4.08Å; Y134-Q147 HydrophobicContact CG-CB 4.27Å
135S84.9Confident85.6Confident27 Ų2759.7 Ų59.719%0.18930%0.299CS..  trans-118.3117.8-179179.30000111.6N133 N137 F138 N142N133-S135 PolarHBondContact O-N 3.4Å; S135-N137 PolarHBondContact O-N 3.15Å; S135-N137 PolarHBondContact OG-N 2.89Å; S135-F138 CarbonylContact O-C 3.58Å; S135-F138 PolarHBondContact O-N 3.24Å; S135-N142 PolarHBondContact N-OD1 2.58Å; S135-N142 PolarHBondContact O-ND2 3.12Å
136E80.6Confident85.2Confident152 Ų15260.2 Ų60.271%0.7130%0.297SS*.G310 helixtrans-64.8-25.8174.6-68-175.5174.100112.4Y134 F138Y134-E136 HydrophobicContact CD1-CG 4.44Å; Y134-E136 HydrophobicContact CE1-CG 3.87Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 2.97Å
137N76.1Confident84.9Confident119 Ų11965.4 Ų65.464%0.63632%0.321SS*.G310 helixtrans-72.4-23.2178.5-62.6-29.3000112.8S135S135-N137 PolarHBondContact O-N 3.15Å; S135-N137 PolarHBondContact OG-N 2.89Å
138F80.4Confident84.7Confident53 Ų5369.9 Ų69.923%0.23234%0.343CS..G310 helixtrans-129.356.9-175.4-54.1-57.9000111.6Y45 S135 E136 E140 L141 N142 P274 F276Y45-F138 HydrophobicContact CD1-CE2 4.07Å; Y45-F138 HydrophobicContact CD1-CZ 4.05Å; Y45-F138 HydrophobicContact CE1-CE2 4.47Å; Y45-F138 HydrophobicContact CE1-CZ 4.1Å; S135-F138 CarbonylContact O-C 3.58Å; S135-F138 PolarHBondContact O-N 3.24Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 2.97Å; F138-E140 PolarHBondContact O-N 2.99Å; F138-L141 HydrophobicContact CB-CB 4.18Å; F138-L141 WeakPolarHBondContact O-CB 3.29Å; F138-L141 PolarHBondContact O-N 3.32Å; F138-N142 PolarHBondContact O-N 2.63Å; F138-P274 HydrophobicContact CD1-CG 4.05Å; F138-P274 HydrophobicContact CE1-CG 3.58Å; F138-F276 HydrophobicContact CD1-CE2 4.12Å; F138-F276 HydrophobicContact CD1-CZ 4.35Å
139L79.9Confident84.4Confident113 Ų11366.3 Ų66.359%0.59232%0.324SS*.G310 helixtrans-52.5-38.5-178.8-69.7171.7000113.4Y134 L141 N142Y134-L139 VanDerWaalsContact OH-CD2 3.28Å; Y134-L139 WeakPolarHBondContact OH-CD2 3.47Å; L139-L141 PolarHBondContact O-N 3.02Å; L139-N142 PolarHBondContact O-N 3.44Å
140E78.8Confident84.3Confident115 Ų11568.4 Ų68.454%0.53734%0.336SS..G310 helixtrans-66-21.2-179.6-63.3-165.7159.200113.6F138 K214 F276F138-E140 PolarHBondContact O-N 2.99Å; E140-K214 WeakPolarHBondContact O-CD 3.46Å; E140-K214 VanDerWaalsContact O-CE 3.25Å; E140-K214 WeakPolarHBondContact O-CE 3.36Å; E140-K214 PolarHBondContact O-NZ 3.07Å; E140-F276 HydrophobicContact CB-CD2 4.46Å
141L81.4Confident84.2Confident3 Ų369.9 Ų69.92%0.01635%0.345CS..G310 helixtrans-92-21.6-177.4-160.259.3000112.5I46 M49 F130 F138 L139 K214 F276I46-L141 HydrophobicContact CB-CD1 4.05Å; I46-L141 HydrophobicContact CB-CD2 4.04Å; I46-L141 HydrophobicContact CB-CG 4.31Å; I46-L141 HydrophobicContact CD1-CD1 3.86Å; I46-L141 HydrophobicContact CG1-CD1 4.13Å; I46-L141 HydrophobicContact CG1-CG 4.35Å; M49-L141 HydrophobicContact SD-CB 4.3Å; M49-L141 HydrophobicContact SD-CD2 3.54Å; M49-L141 VanDerWaalsContact SD-CD2 3.54Å; M49-L141 HydrophobicContact SD-CG 3.91Å; F130-L141 WeakPolarHBondContact CE1-O 3.5Å; F138-L141 HydrophobicContact CB-CB 4.18Å; F138-L141 WeakPolarHBondContact O-CB 3.29Å; F138-L141 PolarHBondContact O-N 3.32Å; L139-L141 PolarHBondContact O-N 3.02Å; L141-K214 HydrophobicContact CD1-CB 4.13Å; L141-F276 HydrophobicContact CD1-CD1 4.1Å; L141-F276 HydrophobicContact CD1-CE1 4.35Å; L141-F276 HydrophobicContact CD1-CG 4.44Å; L141-F276 HydrophobicContact CD2-CE1 4.16Å; L141-F276 HydrophobicContact CD2-CZ 4.24Å
142N84.4Confident84.2Confident21 Ų2178 Ų7811%0.11237%0.374CS..  trans-71.1133179.6-67.3-42.5000111.1M49 Y134 S135 F138 L139M49-N142 WeakPolarHBondContact CE-OD1 3.49Å; Y134-N142 HydrophobicContact CD2-CB 3.94Å; Y134-N142 HydrophobicContact CE2-CB 3.86Å; Y134-N142 WeakPolarHBondContact CE2-ND2 3.44Å; S135-N142 PolarHBondContact N-OD1 2.58Å; S135-N142 PolarHBondContact O-ND2 3.12Å; F138-N142 PolarHBondContact O-N 2.63Å; L139-N142 PolarHBondContact O-N 3.44Å
143A82.3Confident84Confident21 Ų2178.9 Ų78.917%0.17437%0.372CS..SBendtrans-89.1-29.8167.800000112.2F130 L154 L212F130-A143 HydrophobicContact CB-CB 4.36Å; F130-A143 HydrophobicContact CD1-CB 3.82Å; F130-A143 HydrophobicContact CD2-CB 3.71Å; F130-A143 HydrophobicContact CE1-CB 3.91Å; F130-A143 HydrophobicContact CE2-CB 3.79Å; F130-A143 HydrophobicContact CG-CB 3.72Å; F130-A143 HydrophobicContact CZ-CB 3.88Å; A143-L154 HydrophobicContact CB-CD1 3.87Å; A143-L154 HydrophobicContact CB-CD2 4.26Å; A143-L154 VanDerWaalsContact O-CD1 3.23Å; A143-L154 WeakPolarHBondContact O-CD1 3.31Å; A143-L212 HydrophobicContact CB-CD1 4.05Å; A143-L212 HydrophobicContact CB-CD2 3.99Å; A143-L212 HydrophobicContact CB-CG 4.05Å
144A82.9Confident83.8Confident9 Ų976.1 Ų76.17%0.07436%0.357CS..SBendtrans-76.3150.1173.100000110.8F130 Y134 E149F130-A144 WeakPolarHBondContact O-CB 3.13Å; Y134-A144 HydrophobicContact CD2-CB 4.29Å; Y134-A144 WeakPolarHBondContact CE2-O 3.24Å; A144-E149 WeakPolarHBondContact CA-OE2 3.1Å; A144-E149 HydrophobicContact CB-CB 4.28Å
145R84.3Confident83.8Confident190 Ų19076.6 Ų76.672%0.71736%0.362SS*.SBendtrans-81-31.6179.8-66.5-179.2-177.7-1772112.9Y134 E149Y134-R145 PolarHBondContact OH-O 3.09Å; R145-E149 PolarHBondContact N-OE2 3.3Å
146Y84Confident84Confident108 Ų10880.8 Ų80.842%0.42438%0.377SS..SBendtrans-150.2162.5-18053-86.1000110.1E149 K153Y146-E149 HydrophobicContact CD1-CB 4.5Å; Y146-E149 HydrophobicContact CD2-CB 4.12Å; Y146-E149 HydrophobicContact CE1-CB 4.18Å; Y146-E149 HydrophobicContact CE1-CG 4.09Å; Y146-E149 HydrophobicContact CE2-CB 3.8Å; Y146-E149 HydrophobicContact CE2-CG 4.32Å; Y146-E149 HydrophobicContact CG-CB 4.45Å; Y146-E149 WeakPolarHBondContact O-CB 3.36Å; Y146-E149 PolarHBondContact O-N 3.48Å; Y146-K153 PolarHBondContact OH-NZ 2.97Å
147Q86.2Confident84.3Confident113 Ų11377.9 Ų77.953%0.52837%0.37SS..THydrogen-bonded Turntrans-60.9136.2179.3-166.8-18015.400111.5Y134 E149Y134-Q147 HydrophobicContact CD1-CB 4.08Å; Y134-Q147 HydrophobicContact CG-CB 4.27Å; Q147-E149 VanDerWaalsContact C-N 3.26Å; Q147-E149 PolarHBondContact O-N 3.23Å
148N86.5Confident85Confident105 Ų10573.5 Ų73.556%0.56135%0.347SS*.THydrogen-bonded Turntrans61.326.5-177.8-56.2-50.6000114.8S131 D150S131-N148 PolarHBondContact O-N 2.71Å; S131-N148 VanDerWaalsContact OG-C 3.28Å; S131-N148 VanDerWaalsContact OG-CA 3.3Å; S131-N148 WeakPolarHBondContact OG-CA 3.31Å; N148-D150 PolarHBondContact O-N 3.49Å
149E86.5Confident85.5Confident13 Ų1374.6 Ų74.66%0.06136%0.358CS..  trans-58.2135.5168.9178168.2-145.700110.8S131 A144 R145 Y146 Q147 P151 K153S131-E149 VanDerWaalsContact CB-O 3.25Å; S131-E149 WeakPolarHBondContact CB-O 3.41Å; S131-E149 PolarHBondContact OG-N 3.34Å; S131-E149 PolarHBondContact OG-O 3.19Å; A144-E149 WeakPolarHBondContact CA-OE2 3.1Å; A144-E149 HydrophobicContact CB-CB 4.28Å; R145-E149 PolarHBondContact N-OE2 3.3Å; Y146-E149 HydrophobicContact CD1-CB 4.5Å; Y146-E149 HydrophobicContact CD2-CB 4.12Å; Y146-E149 HydrophobicContact CE1-CB 4.18Å; Y146-E149 HydrophobicContact CE1-CG 4.09Å; Y146-E149 HydrophobicContact CE2-CB 3.8Å; Y146-E149 HydrophobicContact CE2-CG 4.32Å; Y146-E149 HydrophobicContact CG-CB 4.45Å; Y146-E149 WeakPolarHBondContact O-CB 3.36Å; Y146-E149 PolarHBondContact O-N 3.48Å; Q147-E149 VanDerWaalsContact C-N 3.26Å; Q147-E149 PolarHBondContact O-N 3.23Å; E149-P151 VanDerWaalsContact O-CD 3.26Å; E149-P151 WeakPolarHBondContact O-CD 3.17Å; E149-P151 VanDerWaalsContact O-N 3.09Å; E149-K153 HydrophobicContact CG-CB 4.44Å; E149-K153 HydrophobicContact CG-CD 4.4Å
150D88.4Confident86Confident69 Ų6970.3 Ų70.337%0.36934%0.337SS..  trans-54.6117.8177.9-178.1-2.5000110.5N148 R152 K153N148-D150 PolarHBondContact O-N 3.49Å; D150-R152 PolarHBondContact O-N 2.82Å; D150-R152 WeakPolarHBondContact OD1-CB 3.24Å; D150-R152 WeakPolarHBondContact OD1-CG 3.35Å; D150-R152 PolarHBondContact OD1-N 2.82Å; D150-K153 HydrophobicContact CB-CG 4.37Å; D150-K153 WeakPolarHBondContact O-CB 3.34Å; D150-K153 PolarHBondContact O-N 2.84Å
151P87.3Confident86.5Confident34 Ų3465.3 Ų65.322%0.22132%0.317CS..Hα-helixtrans-54.9-24.8-179.3-23.930.2000113.8A127 L128 E149 K153 L154 L155A127-P151 HydrophobicContact CB-CB 4.15Å; L128-P151 HydrophobicContact CD2-CB 4.36Å; L128-P151 HydrophobicContact CD2-CG 3.59Å; L128-P151 HydrophobicContact CG-CG 4.31Å; E149-P151 VanDerWaalsContact O-CD 3.26Å; E149-P151 WeakPolarHBondContact O-CD 3.17Å; E149-P151 VanDerWaalsContact O-N 3.09Å; P151-K153 VanDerWaalsContact C-N 3.3Å; P151-K153 PolarHBondContact O-N 3.02Å; P151-L154 WeakPolarHBondContact O-CB 3.5Å; P151-L154 PolarHBondContact O-N 3.49Å; P151-L155 PolarHBondContact O-N 3.28Å; P151-L155 VanDerWaalsContact O-N 3.11Å
152R88.2Confident87.1Confident179 Ų17969.3 Ų69.368%0.67534%0.338SS*.Hα-helixtrans-64.2-36.4175.8-61.8172.9-176.9-179.42.8111.8D150 L154 L155 F156D150-R152 PolarHBondContact O-N 2.82Å; D150-R152 WeakPolarHBondContact OD1-CB 3.24Å; D150-R152 WeakPolarHBondContact OD1-CG 3.35Å; D150-R152 PolarHBondContact OD1-N 2.82Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 3.42Å; R152-L155 WeakPolarHBondContact O-CB 3.43Å; R152-L155 PolarHBondContact O-N 3.39Å; R152-F156 VanDerWaalsContact O-CD2 3.28Å; R152-F156 WeakPolarHBondContact O-CD2 3.29Å; R152-F156 PolarHBondContact O-N 3.17Å; R152-F156 VanDerWaalsContact O-N 3.1Å
153K86.5Confident87.6Confident100 Ų10069 Ų6944%0.43534%0.336SS..Hα-helixtrans-62.4-41.8174.6-69.1-179.1-178.8174.50110.2Y146 E149 D150 P151 L155 F156 T157Y146-K153 PolarHBondContact OH-NZ 2.97Å; E149-K153 HydrophobicContact CG-CB 4.44Å; E149-K153 HydrophobicContact CG-CD 4.4Å; D150-K153 HydrophobicContact CB-CG 4.37Å; D150-K153 WeakPolarHBondContact O-CB 3.34Å; D150-K153 PolarHBondContact O-N 2.84Å; P151-K153 VanDerWaalsContact C-N 3.3Å; P151-K153 PolarHBondContact O-N 3.02Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 2.94Å; K153-F156 PolarHBondContact O-N 3.33Å; K153-T157 VanDerWaalsContact O-CB 3.28Å; K153-T157 WeakPolarHBondContact O-CB 3.45Å; K153-T157 VanDerWaalsContact O-CG2 3.26Å; K153-T157 WeakPolarHBondContact O-CG2 3.42Å; K153-T157 PolarHBondContact O-N 3.5Å; K153-T157 PolarHBondContact O-OG1 3.41Å
154L83.8Confident88.1Confident14 Ų1468.9 Ų68.97%0.07334%0.338CS..Hα-helixtrans-60.9-39.7175.9-168.571.8000111.8A127 F130 A143 P151 R152 T158A127-L154 HydrophobicContact CB-CD2 3.91Å; F130-L154 HydrophobicContact CB-CD2 4.28Å; F130-L154 HydrophobicContact CD2-CD2 4.25Å; A143-L154 HydrophobicContact CB-CD1 3.87Å; A143-L154 HydrophobicContact CB-CD2 4.26Å; A143-L154 VanDerWaalsContact O-CD1 3.23Å; A143-L154 WeakPolarHBondContact O-CD1 3.31Å; P151-L154 WeakPolarHBondContact O-CB 3.5Å; P151-L154 PolarHBondContact O-N 3.49Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 3.42Å; L154-T158 HydrophobicContact CD1-CG2 3.62Å; L154-T158 HydrophobicContact CG-CG2 4.18Å; L154-T158 WeakPolarHBondContact O-CB 3.43Å; L154-T158 VanDerWaalsContact O-CG2 3.24Å; L154-T158 WeakPolarHBondContact O-CG2 3.24Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 3.15Å
155L86.2Confident88.7Confident50 Ų5070.9 Ų70.926%0.26235%0.348SS..Hα-helixtrans-65.4-40.5178.4-165.677.9000113.1P151 R152 K153 G161 L162 V165P151-L155 PolarHBondContact O-N 3.28Å; P151-L155 VanDerWaalsContact O-N 3.11Å; R152-L155 WeakPolarHBondContact O-CB 3.43Å; R152-L155 PolarHBondContact O-N 3.39Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 2.94Å; L155-G161 CarbonylContact O-C 3.59Å; L155-G161 WeakPolarHBondContact O-CA 3.44Å; L155-L162 PolarHBondContact O-N 3.31Å; L155-V165 HydrophobicContact CD1-CG2 4.3Å; L155-V165 HydrophobicContact CD2-CG2 3.82Å; L155-V165 HydrophobicContact CG-CG2 3.93Å
156F88.8Confident89.3Confident115 Ų11564.4 Ų64.450%0.50433%0.332SS..Hα-helixtrans-97.9-16-173.9-68.3-69.1000115R152 K153 L162 V165R152-F156 VanDerWaalsContact O-CD2 3.28Å; R152-F156 WeakPolarHBondContact O-CD2 3.29Å; R152-F156 PolarHBondContact O-N 3.17Å; R152-F156 VanDerWaalsContact O-N 3.1Å; K153-F156 PolarHBondContact O-N 3.33Å; F156-L162 HydrophobicContact CD1-CD1 4.46Å; F156-V165 HydrophobicContact CE1-CG1 4.39Å; F156-V165 HydrophobicContact CE1-CG2 4.36Å
157T87.6Confident89.8Confident92 Ų9260.2 Ų60.256%0.56432%0.316SS*.Hα-helixtrans-98.1-21.5-179.663.20000113.5K153K153-T157 VanDerWaalsContact O-CB 3.28Å; K153-T157 WeakPolarHBondContact O-CB 3.45Å; K153-T157 VanDerWaalsContact O-CG2 3.26Å; K153-T157 WeakPolarHBondContact O-CG2 3.42Å; K153-T157 PolarHBondContact O-N 3.5Å; K153-T157 PolarHBondContact O-OG1 3.41Å
158T89.9Confident90.3Very high26 Ų2657.9 Ų57.916%0.1631%0.31CS..SBendtrans-88.1145.3178.566.40000111.3L154 G161 L162 L212L154-T158 HydrophobicContact CD1-CG2 3.62Å; L154-T158 HydrophobicContact CG-CG2 4.18Å; L154-T158 WeakPolarHBondContact O-CB 3.43Å; L154-T158 VanDerWaalsContact O-CG2 3.24Å; L154-T158 WeakPolarHBondContact O-CG2 3.24Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 3.15Å; T158-G161 PolarHBondContact O-N 3.16Å; T158-G161 PolarHBondContact OG1-N 2.92Å; T158-L162 PolarHBondContact O-N 3.34Å; T158-L212 HydrophobicContact CG2-CD1 4.08Å
159V90.9Very high90.8Very high77 Ų7756.8 Ų56.847%0.46731%0.307SS..Hα-helixtrans-57-48.8176.6175.70000111.5G161 T163V159-G161 VanDerWaalsContact C-N 3.33Å; V159-G161 PolarHBondContact O-N 3.03Å; V159-T163 HydrophobicContact CG1-CG2 4.23Å; V159-T163 WeakPolarHBondContact O-CB 3.3Å; V159-T163 VanDerWaalsContact O-CG2 3.29Å; V159-T163 WeakPolarHBondContact O-CG2 3.46Å; V159-T163 PolarHBondContact O-N 3.12Å; V159-T163 VanDerWaalsContact O-N 3.09Å; V159-T163 PolarHBondContact O-OG1 3.38Å
160P90.6Very high91.3Very high22 Ų2257 Ų5714%0.14331%0.309CS..Hα-helixtrans-63.5-36.1177.8-23.136000113.1T163 G164 H207 L212P160-T163 WeakPolarHBondContact CA-OG1 3.37Å; P160-T163 PolarHBondContact O-OG1 3.11Å; P160-G164 PolarHBondContact O-N 3.48Å; P160-H207 PolarHBondContact O-CE1 3.49Å; P160-H207 PolarHBondContact O-ND1 3.08Å; P160-L212 HydrophobicContact CG-CB 4.41Å
161G91Very high91.7Very high11 Ų1154.9 Ų54.911%0.11330%0.298CS..Hα-helixtrans-65.7-53.7178.800000112.6L155 T158 V159 G164 V165L155-G161 CarbonylContact O-C 3.59Å; L155-G161 WeakPolarHBondContact O-CA 3.44Å; T158-G161 PolarHBondContact O-N 3.16Å; T158-G161 PolarHBondContact OG1-N 2.92Å; V159-G161 VanDerWaalsContact C-N 3.33Å; V159-G161 PolarHBondContact O-N 3.03Å; G161-G164 PolarHBondContact O-N 3.38Å; G161-V165 WeakPolarHBondContact O-CG2 3.33Å; G161-V165 PolarHBondContact O-N 2.78Å
162L92.6Very high92.1Very high87 Ų8759.8 Ų59.846%0.45532%0.315SS..Hα-helixtrans-64.4-46.6-177.8-178.563.9000111.7L155 F156 T158 G164 V165 C166L155-L162 PolarHBondContact O-N 3.31Å; F156-L162 HydrophobicContact CD1-CD1 4.46Å; T158-L162 PolarHBondContact O-N 3.34Å; L162-G164 VanDerWaalsContact C-N 3.3Å; L162-G164 PolarHBondContact O-N 3.48Å; L162-V165 PolarHBondContact O-N 3.13Å; L162-C166 PolarHBondContact O-N 3.47Å; L162-C166 VanDerWaalsContact O-N 3.09Å; L162-C166 PolarHBondContact O-SG 2.72Å; L162-C166 VanDerWaalsContact O-SG 3.37Å
163T94.9Very high92.5Very high14 Ų1455.1 Ų55.19%0.08630%0.304CS..Hα-helixtrans-61.9-38.8176.353.70000111.6V159 P160 C166 M167 L206 H207V159-T163 HydrophobicContact CG1-CG2 4.23Å; V159-T163 WeakPolarHBondContact O-CB 3.3Å; V159-T163 VanDerWaalsContact O-CG2 3.29Å; V159-T163 WeakPolarHBondContact O-CG2 3.46Å; V159-T163 PolarHBondContact O-N 3.12Å; V159-T163 VanDerWaalsContact O-N 3.09Å; V159-T163 PolarHBondContact O-OG1 3.38Å; P160-T163 WeakPolarHBondContact CA-OG1 3.37Å; P160-T163 PolarHBondContact O-OG1 3.11Å; T163-C166 PolarHBondContact O-N 2.94Å; T163-M167 WeakPolarHBondContact O-CB 3.39Å; T163-M167 WeakPolarHBondContact O-CG 3.34Å; T163-M167 PolarHBondContact O-N 2.89Å; T163-L206 HydrophobicContact CG2-CB 4.13Å; T163-H207 VanDerWaalsContact OG1-CA 3.29Å; T163-H207 WeakPolarHBondContact OG1-CA 3.48Å; T163-H207 WeakPolarHBondContact OG1-CB 3.41Å; T163-H207 PolarHBondContact OG1-ND1 3.22Å
164G94.1Very high92.9Very high19 Ų1951.3 Ų51.320%0.19629%0.288CS..Hα-helixtrans-61.8-45.6176.900000112.7P160 G161 L162 M167 V168P160-G164 PolarHBondContact O-N 3.48Å; G161-G164 PolarHBondContact O-N 3.38Å; L162-G164 VanDerWaalsContact C-N 3.3Å; L162-G164 PolarHBondContact O-N 3.48Å; G164-M167 PolarHBondContact O-N 3.41Å; G164-V168 WeakPolarHBondContact O-CG2 3.27Å; G164-V168 PolarHBondContact O-N 3.07Å
165V94.6Very high93.4Very high50 Ų5053.6 Ų53.630%0.30330%0.302SS..Hα-helixtrans-61.6-47.8175.9174.70000111L155 F156 G161 L162 M167 V168 V169L155-V165 HydrophobicContact CD1-CG2 4.3Å; L155-V165 HydrophobicContact CD2-CG2 3.82Å; L155-V165 HydrophobicContact CG-CG2 3.93Å; F156-V165 HydrophobicContact CE1-CG1 4.39Å; F156-V165 HydrophobicContact CE1-CG2 4.36Å; G161-V165 WeakPolarHBondContact O-CG2 3.33Å; G161-V165 PolarHBondContact O-N 2.78Å; L162-V165 PolarHBondContact O-N 3.13Å; V165-M167 VanDerWaalsContact C-N 3.31Å; V165-M167 PolarHBondContact O-N 2.92Å; V165-V168 PolarHBondContact O-N 3.46Å; V165-V169 WeakPolarHBondContact O-CG2 3.46Å; V165-V169 PolarHBondContact O-N 3.44Å; V165-V169 VanDerWaalsContact O-N 3.12Å
166C96Very high93.8Very high55 Ų5553.8 Ų53.837%0.37231%0.305SS..Hα-helixtrans-58.8-41.8176.7-69.20000112L162 T163 V169 V170 L203L162-C166 PolarHBondContact O-N 3.47Å; L162-C166 VanDerWaalsContact O-N 3.09Å; L162-C166 PolarHBondContact O-SG 2.72Å; L162-C166 VanDerWaalsContact O-SG 3.37Å; T163-C166 PolarHBondContact O-N 2.94Å; C166-V169 PolarHBondContact O-N 3.34Å; C166-V170 WeakPolarHBondContact O-CG2 3.09Å; C166-V170 PolarHBondContact O-N 3.13Å; C166-L203 HydrophobicContact CB-CD1 3.8Å; C166-L203 HydrophobicContact CB-CD2 4.44Å
167M96.3Very high93.9Very high19 Ų1948.5 Ų48.59%0.09428%0.283CS..Hα-helixtrans-63.5-40.8176.8-76.1173.963.100112.8T163 G164 V165 V169 V170 L171 F200 L203 L204 H207T163-M167 WeakPolarHBondContact O-CB 3.39Å; T163-M167 WeakPolarHBondContact O-CG 3.34Å; T163-M167 PolarHBondContact O-N 2.89Å; G164-M167 PolarHBondContact O-N 3.41Å; V165-M167 VanDerWaalsContact C-N 3.31Å; V165-M167 PolarHBondContact O-N 2.92Å; M167-V169 VanDerWaalsContact C-N 3.34Å; M167-V170 PolarHBondContact O-N 3.28Å; M167-L171 VanDerWaalsContact O-CB 3.29Å; M167-L171 WeakPolarHBondContact O-CB 3.4Å; M167-L171 PolarHBondContact O-N 2.91Å; M167-F200 HydrophobicContact CB-CD2 4.22Å; M167-F200 HydrophobicContact CB-CE2 4.13Å; M167-F200 HydrophobicContact CE-CD2 4.14Å; M167-F200 HydrophobicContact CE-CE1 4.3Å; M167-F200 HydrophobicContact CE-CE2 3.53Å; M167-F200 HydrophobicContact CE-CZ 3.62Å; M167-F200 HydrophobicContact CG-CD2 4.32Å; M167-F200 HydrophobicContact CG-CE2 4.43Å; M167-L203 HydrophobicContact CG-CB 3.45Å; M167-L203 VanDerWaalsContact CG-CB 3.45Å; M167-L203 HydrophobicContact CG-CD1 4.04Å; M167-L203 HydrophobicContact CG-CG 4.4Å; M167-L203 HydrophobicContact SD-CB 4.06Å; M167-L204 HydrophobicContact CE-CB 3.73Å; M167-L204 HydrophobicContact CE-CD1 3.8Å; M167-L204 HydrophobicContact CE-CG 4.24Å; M167-L204 HydrophobicContact SD-CB 4.17Å; M167-H207 HydrophobicContact SD-CB 3.92Å
168V96.1Very high94.1Very high64 Ų6445.8 Ų45.839%0.38827%0.268SS..Hα-helixtrans-63.3-41.9177.7170.80000110.9V120 G164 V165 L171 F172V120-V168 HydrophobicContact CG2-CG2 3.63Å; G164-V168 WeakPolarHBondContact O-CG2 3.27Å; G164-V168 PolarHBondContact O-N 3.07Å; V165-V168 PolarHBondContact O-N 3.46Å; V168-L171 PolarHBondContact O-N 2.91Å; V168-F172 VanDerWaalsContact O-CB 3.32Å; V168-F172 WeakPolarHBondContact O-CB 3.28Å; V168-F172 PolarHBondContact O-N 3Å
169V96.6Very high94.2Very high83 Ų8347.4 Ų47.450%0.50328%0.278SS..Hα-helixtrans-61.7-48.4175.71740000110.9V165 C166 M167 L171 F172 L173V165-V169 WeakPolarHBondContact O-CG2 3.46Å; V165-V169 PolarHBondContact O-N 3.44Å; V165-V169 VanDerWaalsContact O-N 3.12Å; C166-V169 PolarHBondContact O-N 3.34Å; M167-V169 VanDerWaalsContact C-N 3.34Å; V169-L171 PolarHBondContact O-N 2.91Å; V169-F172 PolarHBondContact O-N 3.35Å; V169-L173 HydrophobicContact CG1-CD1 4.33Å; V169-L173 WeakPolarHBondContact O-CG 2.97Å; V169-L173 PolarHBondContact O-N 2.75Å
170V97.2Very high94Very high18 Ų1851.9 Ų51.911%0.10929%0.287CS..Hα-helixtrans-60.1-46.4177.8170.60000111.1C166 M167 F172 L173 M174 L196 V199 F200 L203C166-V170 WeakPolarHBondContact O-CG2 3.09Å; C166-V170 PolarHBondContact O-N 3.13Å; M167-V170 PolarHBondContact O-N 3.28Å; V170-F172 VanDerWaalsContact C-N 3.34Å; V170-F172 PolarHBondContact O-N 3.12Å; V170-L173 PolarHBondContact O-N 3.1Å; V170-M174 HydrophobicContact CG1-CG 4.42Å; V170-M174 HydrophobicContact CG1-SD 3.86Å; V170-M174 VanDerWaalsContact O-CG 3.31Å; V170-M174 WeakPolarHBondContact O-CG 3.47Å; V170-M174 PolarHBondContact O-N 2.99Å; V170-L196 HydrophobicContact CG1-CB 3.8Å; V170-V199 HydrophobicContact CG2-CG1 4.44Å; V170-F200 HydrophobicContact CG1-CB 3.98Å; V170-L203 HydrophobicContact CG2-CD1 4.47Å
171L96.4Very high93.9Very high24 Ų2454.3 Ų54.313%0.12631%0.309CS..Hα-helixtrans-61.7-42.6178.6-177.762.7000111.5I112 M167 V168 V169 L173 M174 V175 F200I112-L171 HydrophobicContact CG2-CD1 4.34Å; I112-L171 HydrophobicContact CG2-CD2 4.31Å; M167-L171 VanDerWaalsContact O-CB 3.29Å; M167-L171 WeakPolarHBondContact O-CB 3.4Å; M167-L171 PolarHBondContact O-N 2.91Å; V168-L171 PolarHBondContact O-N 2.91Å; V169-L171 PolarHBondContact O-N 2.91Å; L171-L173 PolarHBondContact O-N 3.33Å; L171-M174 PolarHBondContact O-N 2.82Å; L171-V175 HydrophobicContact CD1-CG2 3.93Å; L171-V175 HydrophobicContact CG-CG2 4.25Å; L171-V175 WeakPolarHBondContact O-CB 3.22Å; L171-V175 WeakPolarHBondContact O-CG2 3Å; L171-V175 PolarHBondContact O-N 2.85Å; L171-F200 HydrophobicContact CB-CE2 4.31Å
172F95.9Very high93.7Very high136 Ų13656.3 Ų56.360%0.59632%0.317SS*.Hα-helixtrans-60.3-45.9177.4175.2-100.3000112.2V168 V169 V170 V175 T176V168-F172 VanDerWaalsContact O-CB 3.32Å; V168-F172 WeakPolarHBondContact O-CB 3.28Å; V168-F172 PolarHBondContact O-N 3Å; V169-F172 PolarHBondContact O-N 3.35Å; V170-F172 VanDerWaalsContact C-N 3.34Å; V170-F172 PolarHBondContact O-N 3.12Å; F172-V175 PolarHBondContact O-N 2.82Å; F172-T176 VanDerWaalsContact O-CB 3.31Å; F172-T176 WeakPolarHBondContact O-CB 3.5Å; F172-T176 PolarHBondContact O-N 2.97Å; F172-T176 PolarHBondContact O-OG1 3.45Å
173L95.6Very high93.3Very high82 Ų8255.2 Ų55.243%0.42931%0.307SS..Hα-helixtrans-61.3-47.5176.5-68.4174.6000111.4V169 V170 L171 V175 A177 L196V169-L173 HydrophobicContact CG1-CD1 4.33Å; V169-L173 WeakPolarHBondContact O-CG 2.97Å; V169-L173 PolarHBondContact O-N 2.75Å; V170-L173 PolarHBondContact O-N 3.1Å; L171-L173 PolarHBondContact O-N 3.33Å; L173-V175 PolarHBondContact O-N 3.23Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.48Å; L173-A177 VanDerWaalsContact O-N 3.13Å; L173-L196 HydrophobicContact CB-CD1 4.43Å; L173-L196 HydrophobicContact CD1-CD1 4.38Å
174M95.6Very high92.4Very high20 Ų2059 Ų5910%0.09933%0.33CS..Hα-helixtrans-59.1-46.7178.6-73.8174.762.400112.2V170 L171 S178 T193 L196 F197V170-M174 HydrophobicContact CG1-CG 4.42Å; V170-M174 HydrophobicContact CG1-SD 3.86Å; V170-M174 VanDerWaalsContact O-CG 3.31Å; V170-M174 WeakPolarHBondContact O-CG 3.47Å; V170-M174 PolarHBondContact O-N 2.99Å; L171-M174 PolarHBondContact O-N 2.82Å; M174-S178 VanDerWaalsContact O-CB 3.27Å; M174-S178 WeakPolarHBondContact O-CB 3.29Å; M174-S178 PolarHBondContact O-N 2.86Å; M174-S178 PolarHBondContact O-OG 3.18Å; M174-T193 VanDerWaalsContact CG-O 3.29Å; M174-T193 WeakPolarHBondContact CG-O 3.32Å; M174-L196 HydrophobicContact CG-CB 4.09Å; M174-L196 HydrophobicContact SD-CB 4.23Å; M174-F197 HydrophobicContact CE-CB 3.58Å; M174-F197 HydrophobicContact SD-CB 4.3Å
175V94.2Very high91.7Very high62 Ų6263.1 Ų63.138%0.37636%0.356SS..Hα-helixtrans-70.1-43.9-175.3172.10000111C113 L171 F172 L173 A177 S178 T179C113-V175 WeakPolarHBondContact SG-CG2 3.24Å; L171-V175 HydrophobicContact CD1-CG2 3.93Å; L171-V175 HydrophobicContact CG-CG2 4.25Å; L171-V175 WeakPolarHBondContact O-CB 3.22Å; L171-V175 WeakPolarHBondContact O-CG2 3Å; L171-V175 PolarHBondContact O-N 2.85Å; F172-V175 PolarHBondContact O-N 2.82Å; L173-V175 PolarHBondContact O-N 3.23Å; V175-A177 PolarHBondContact O-N 3.16Å; V175-S178 PolarHBondContact O-N 3.44Å; V175-S178 VanDerWaalsContact O-N 3.12Å; V175-T179 PolarHBondContact O-N 2.83Å
176T94Very high91Very high54 Ų5463.9 Ų63.933%0.33136%0.358SS..Hα-helixtrans-59.3-50.1178.9-58.20000110.5F172 S178 T179 I182F172-T176 VanDerWaalsContact O-CB 3.31Å; F172-T176 WeakPolarHBondContact O-CB 3.5Å; F172-T176 PolarHBondContact O-N 2.97Å; F172-T176 PolarHBondContact O-OG1 3.45Å; T176-S178 PolarHBondContact O-N 3.27Å; T176-T179 WeakPolarHBondContact O-CB 3.36Å; T176-T179 VanDerWaalsContact O-CG2 3.25Å; T176-T179 WeakPolarHBondContact O-CG2 3.48Å; T176-T179 PolarHBondContact O-N 3.17Å; T176-T179 VanDerWaalsContact O-N 3.17Å; T176-T179 PolarHBondContact O-OG1 3.06Å; T176-I182 HydrophobicContact CG2-CD1 4.05Å; T176-I182 WeakPolarHBondContact O-CD1 3.42Å
177A92.8Very high90.1Very high4 Ų466.2 Ų66.23%0.03336%0.359CS..Hα-helixtrans-67.4-22.7177.900000113.8L173 V175 T179 I189 T193L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.48Å; L173-A177 VanDerWaalsContact O-N 3.13Å; V175-A177 PolarHBondContact O-N 3.16Å; A177-T179 VanDerWaalsContact C-N 3.27Å; A177-T179 PolarHBondContact O-N 3.23Å; A177-I189 HydrophobicContact CB-CG2 4.3Å; A177-T193 HydrophobicContact CB-CG2 4.06Å; A177-T193 WeakPolarHBondContact CB-OG1 3.01Å
178S91.3Very high89.4Confident35 Ų3567.6 Ų67.625%0.24537%0.367CS..THydrogen-bonded Turntrans-79.9-4.1176.2-60.20000114.2M174 V175 T176 H194M174-S178 VanDerWaalsContact O-CB 3.27Å; M174-S178 WeakPolarHBondContact O-CB 3.29Å; M174-S178 PolarHBondContact O-N 2.86Å; M174-S178 PolarHBondContact O-OG 3.18Å; V175-S178 PolarHBondContact O-N 3.44Å; V175-S178 VanDerWaalsContact O-N 3.12Å; T176-S178 PolarHBondContact O-N 3.27Å; S178-H194 PolarHBondContact OG-ND1 2.93Å
179T90.9Very high89Confident60 Ų6068.4 Ų68.437%0.36837%0.369SS..SBendtrans-64.2153.217660.50000112.2V175 T176 A177 A181 I182 R183V175-T179 PolarHBondContact O-N 2.83Å; T176-T179 WeakPolarHBondContact O-CB 3.36Å; T176-T179 VanDerWaalsContact O-CG2 3.25Å; T176-T179 WeakPolarHBondContact O-CG2 3.48Å; T176-T179 PolarHBondContact O-N 3.17Å; T176-T179 VanDerWaalsContact O-N 3.17Å; T176-T179 PolarHBondContact O-OG1 3.06Å; A177-T179 VanDerWaalsContact C-N 3.27Å; A177-T179 PolarHBondContact O-N 3.23Å; T179-A181 VanDerWaalsContact C-N 3.29Å; T179-A181 PolarHBondContact O-N 3.28Å; T179-I182 PolarHBondContact O-N 3.01Å; T179-R183 WeakPolarHBondContact O-CB 3.26Å; T179-R183 PolarHBondContact O-N 3.04Å; T179-R183 VanDerWaalsContact O-N 3.07Å
180Y87.3Confident88.6Confident170 Ų17066 Ų6667%0.66735%0.351SS*.Hα-helixtrans-59.4-39.9-178.1176.5-103.2000112.5V184Y180-V184 HydrophobicContact CD2-CG2 3.89Å; Y180-V184 HydrophobicContact CE1-CG2 4.28Å; Y180-V184 HydrophobicContact CE2-CG2 3.47Å; Y180-V184 VanDerWaalsContact CE2-CG2 3.47Å; Y180-V184 HydrophobicContact CG-CG2 4.44Å; Y180-V184 WeakPolarHBondContact O-CB 3.41Å; Y180-V184 WeakPolarHBondContact O-CG2 3.38Å; Y180-V184 PolarHBondContact O-N 2.83Å; Y180-V184 VanDerWaalsContact O-N 3.13Å
181A87.4Confident88Confident73 Ų7368.2 Ų68.260%0.60336%0.358SS*.Hα-helixtrans-61.6-50.5-17900000112T179 S185T179-A181 VanDerWaalsContact C-N 3.29Å; T179-A181 PolarHBondContact O-N 3.28Å; A181-S185 WeakPolarHBondContact O-CB 3.29Å; A181-S185 PolarHBondContact O-N 3.44Å; A181-S185 VanDerWaalsContact O-N 3.12Å
182I86.9Confident87.5Confident54 Ų5472.5 Ų72.528%0.27737%0.373SS..Hα-helixtrans-68-45.6-178.7-61.9-173.4000110.6T176 T179 V184 S185 N186 I189T176-I182 HydrophobicContact CG2-CD1 4.05Å; T176-I182 WeakPolarHBondContact O-CD1 3.42Å; T179-I182 PolarHBondContact O-N 3.01Å; I182-V184 VanDerWaalsContact C-N 3.29Å; I182-V184 PolarHBondContact O-N 3.33Å; I182-S185 PolarHBondContact O-N 3.11Å; I182-S185 VanDerWaalsContact O-N 3.13Å; I182-N186 CarbonylContact O-C 3.57Å; I182-N186 PolarHBondContact O-N 3.44Å; I182-I189 HydrophobicContact CG2-CB 4.39Å; I182-I189 HydrophobicContact CG2-CG2 4.05Å
183R84.4Confident87.4Confident63 Ų6367.4 Ų67.424%0.23835%0.353CS..Hα-helixtrans-62.4-34.2-177.1-170.1-179.369-132.5-4.1113.6T179 Y187 F190T179-R183 WeakPolarHBondContact O-CB 3.26Å; T179-R183 PolarHBondContact O-N 3.04Å; T179-R183 VanDerWaalsContact O-N 3.07Å; R183-Y187 HydrophobicContact CG-CD2 3.81Å; R183-Y187 HydrophobicContact CG-CE2 4.16Å; R183-F190 HydrophobicContact CB-CB 4.4Å; R183-F190 HydrophobicContact CB-CG 4.5Å; R183-F190 HydrophobicContact CG-CB 4.23Å; R183-F190 HydrophobicContact CG-CD1 4.03Å; R183-F190 HydrophobicContact CG-CG 4.01Å
184V76.9Confident87.3Confident94 Ų9466 Ų6657%0.5734%0.344SS*.Hα-helixtrans-79.6-31.5177.2173.50000111.4Y180 I182Y180-V184 HydrophobicContact CD2-CG2 3.89Å; Y180-V184 HydrophobicContact CE1-CG2 4.28Å; Y180-V184 HydrophobicContact CE2-CG2 3.47Å; Y180-V184 VanDerWaalsContact CE2-CG2 3.47Å; Y180-V184 HydrophobicContact CG-CG2 4.44Å; Y180-V184 WeakPolarHBondContact O-CB 3.41Å; Y180-V184 WeakPolarHBondContact O-CG2 3.38Å; Y180-V184 PolarHBondContact O-N 2.83Å; Y180-V184 VanDerWaalsContact O-N 3.13Å; I182-V184 VanDerWaalsContact C-N 3.29Å; I182-V184 PolarHBondContact O-N 3.33Å
185S80.1Confident87.1Confident106 Ų10667 Ų6774%0.74135%0.35SS*.Hα-helixtrans-75.4-43.1178.2-1740000112.8A181 I182A181-S185 WeakPolarHBondContact O-CB 3.29Å; A181-S185 PolarHBondContact O-N 3.44Å; A181-S185 VanDerWaalsContact O-N 3.12Å; I182-S185 PolarHBondContact O-N 3.11Å; I182-S185 VanDerWaalsContact O-N 3.13Å
186N79.3Confident87.1Confident65 Ų6566.6 Ų66.635%0.34835%0.346SS..  trans-152.9106.6180-172.7-35.6000109.7I182 D188 I189I182-N186 CarbonylContact O-C 3.57Å; I182-N186 PolarHBondContact O-N 3.44Å; N186-D188 VanDerWaalsContact C-N 3.33Å; N186-D188 WeakPolarHBondContact OD1-CB 3.15Å; N186-D188 PolarHBondContact OD1-N 2.96Å; N186-I189 HydrophobicContact CB-CD1 3.98Å; N186-I189 HydrophobicContact CB-CG1 4.23Å; N186-I189 PolarHBondContact OD1-N 3.35Å
187Y77.4Confident87.1Confident104 Ų10465 Ų6541%0.40833%0.334SS..Hα-helixtrans-72-27.4-177.6-172.1-95000112.9R183 F190 W191R183-Y187 HydrophobicContact CG-CD2 3.81Å; R183-Y187 HydrophobicContact CG-CE2 4.16Å; Y187-F190 AromaticContact CD2-CD1 3.92Å; Y187-F190 HydrophobicContact CD2-CD1 3.92Å; Y187-F190 HydrophobicContact CE1-CD1 4.42Å; Y187-F190 AromaticContact CE2-CD1 3.57Å; Y187-F190 HydrophobicContact CE2-CD1 3.57Å; Y187-F190 AromaticContact CE2-CE1 3.73Å; Y187-F190 HydrophobicContact CE2-CE1 3.73Å; Y187-F190 HydrophobicContact CG-CD1 4.47Å; Y187-F190 AromaticContact CZ-CD1 3.86Å; Y187-F190 AromaticContact CZ-CE1 3.84Å; Y187-F190 WeakPolarHBondContact O-CB 3.03Å; Y187-F190 PolarHBondContact O-N 3.36Å; Y187-W191 HydrophobicContact CE1-CB 4.39Å; Y187-W191 PolarHBondContact O-N 3.47Å
188D81.9Confident87Confident48 Ų4869.2 Ų69.226%0.25735%0.352SS..Hα-helixtrans-65.5-44.4-179.4-72.2-13.8000111.5N186 F190 W191 Y192 E350N186-D188 VanDerWaalsContact C-N 3.33Å; N186-D188 WeakPolarHBondContact OD1-CB 3.15Å; N186-D188 PolarHBondContact OD1-N 2.96Å; D188-F190 VanDerWaalsContact C-N 3.26Å; D188-F190 PolarHBondContact O-N 3.17Å; D188-W191 PolarHBondContact O-N 2.88Å; D188-Y192 HydrophobicContact CB-CD2 4.17Å; D188-Y192 HydrophobicContact CB-CE2 3.93Å; D188-Y192 WeakPolarHBondContact O-CD2 3.37Å; D188-Y192 PolarHBondContact O-N 3.14Å; D188-E350 VanDerWaalsContact OD1-CG 3.26Å; D188-E350 WeakPolarHBondContact OD1-CG 3.35Å
189I87.1Confident87.2Confident82 Ų8271 Ų7142%0.42136%0.361SS..Hα-helixtrans-55.7-47.1176.1-64.8176.1000109.8A177 I182 N186 W191 T193A177-I189 HydrophobicContact CB-CG2 4.3Å; I182-I189 HydrophobicContact CG2-CB 4.39Å; I182-I189 HydrophobicContact CG2-CG2 4.05Å; N186-I189 HydrophobicContact CB-CD1 3.98Å; N186-I189 HydrophobicContact CB-CG1 4.23Å; N186-I189 PolarHBondContact OD1-N 3.35Å; I189-W191 VanDerWaalsContact C-N 3.35Å; I189-W191 PolarHBondContact O-N 3.25Å; I189-T193 HydrophobicContact CG2-CG2 4.33Å; I189-T193 WeakPolarHBondContact O-CB 3.3Å; I189-T193 VanDerWaalsContact O-CG2 3.26Å; I189-T193 WeakPolarHBondContact O-CG2 3.46Å; I189-T193 PolarHBondContact O-N 3.26Å; I189-T193 VanDerWaalsContact O-N 3.1Å; I189-T193 PolarHBondContact O-OG1 3.45Å
190F87.8Confident87.5Confident31 Ų3169 Ų6914%0.13635%0.347CS..Hα-helixtrans-56.7-49.2174.3159.8-105.8000111.2R183 Y187 D188 T193 H194R183-F190 HydrophobicContact CB-CB 4.4Å; R183-F190 HydrophobicContact CB-CG 4.5Å; R183-F190 HydrophobicContact CG-CB 4.23Å; R183-F190 HydrophobicContact CG-CD1 4.03Å; R183-F190 HydrophobicContact CG-CG 4.01Å; Y187-F190 AromaticContact CD2-CD1 3.92Å; Y187-F190 HydrophobicContact CD2-CD1 3.92Å; Y187-F190 HydrophobicContact CE1-CD1 4.42Å; Y187-F190 AromaticContact CE2-CD1 3.57Å; Y187-F190 HydrophobicContact CE2-CD1 3.57Å; Y187-F190 AromaticContact CE2-CE1 3.73Å; Y187-F190 HydrophobicContact CE2-CE1 3.73Å; Y187-F190 HydrophobicContact CG-CD1 4.47Å; Y187-F190 AromaticContact CZ-CD1 3.86Å; Y187-F190 AromaticContact CZ-CE1 3.84Å; Y187-F190 WeakPolarHBondContact O-CB 3.03Å; Y187-F190 PolarHBondContact O-N 3.36Å; D188-F190 VanDerWaalsContact C-N 3.26Å; D188-F190 PolarHBondContact O-N 3.17Å; F190-T193 PolarHBondContact O-OG1 3.15Å; F190-H194 HydrophobicContact CD2-CB 4.33Å; F190-H194 HydrophobicContact CE2-CB 4.05Å; F190-H194 AromaticContact CE2-CG 3.97Å; F190-H194 AromaticContact CE2-ND1 3.89Å; F190-H194 HydrophobicContact CZ-CB 4.49Å; F190-H194 WeakPolarHBondContact O-CB 3.44Å; F190-H194 PolarHBondContact O-N 3.4Å
191W83.9Confident87.8Confident65 Ų6561.4 Ų61.425%0.24632%0.318CS..Hα-helixtrans-63.8-48.4-175.7-170.692.8000112.9Y187 D188 I189 N195 L349Y187-W191 HydrophobicContact CE1-CB 4.39Å; Y187-W191 PolarHBondContact O-N 3.47Å; D188-W191 PolarHBondContact O-N 2.88Å; I189-W191 VanDerWaalsContact C-N 3.35Å; I189-W191 PolarHBondContact O-N 3.25Å; W191-N195 VanDerWaalsContact CE3-ND2 3.27Å; W191-N195 VanDerWaalsContact CH2-ND2 3.31Å; W191-N195 WeakPolarHBondContact CH2-ND2 3.49Å; W191-N195 WeakPolarHBondContact CZ2-ND2 3.42Å; W191-N195 WeakPolarHBondContact CZ3-ND2 3.37Å; W191-N195 PolarHBondContact O-N 2.96Å; W191-N195 PolarHBondContact O-ND2 3.36Å; W191-L349 HydrophobicContact CH2-CB 4.36Å; W191-L349 HydrophobicContact CH2-CD2 4.36Å; W191-L349 HydrophobicContact CZ3-CB 4.3Å; W191-L349 HydrophobicContact CZ3-CD1 4.22Å
192Y87.5Confident88Confident114 Ų11464 Ų6445%0.44732%0.319SS..Hα-helixtrans-64.7-48.4-179.4-71.7-66.8000112.2D188 H194 N195 L349D188-Y192 HydrophobicContact CB-CD2 4.17Å; D188-Y192 HydrophobicContact CB-CE2 3.93Å; D188-Y192 WeakPolarHBondContact O-CD2 3.37Å; D188-Y192 PolarHBondContact O-N 3.14Å; Y192-H194 VanDerWaalsContact C-N 3.35Å; Y192-H194 PolarHBondContact O-N 2.76Å; Y192-N195 PolarHBondContact O-N 3.08Å; Y192-L349 HydrophobicContact CE1-CD1 3.53Å; Y192-L349 VanDerWaalsContact OH-CD1 3.26Å; Y192-L349 WeakPolarHBondContact OH-CD1 3.31Å
193T93.1Very high88.4Confident30 Ų3063 Ų6318%0.18431%0.314CS..Hα-helixtrans-66.9-37.8-179.756.30000111.5M174 A177 I189 F190 N195 L196M174-T193 VanDerWaalsContact CG-O 3.29Å; M174-T193 WeakPolarHBondContact CG-O 3.32Å; A177-T193 HydrophobicContact CB-CG2 4.06Å; A177-T193 WeakPolarHBondContact CB-OG1 3.01Å; I189-T193 HydrophobicContact CG2-CG2 4.33Å; I189-T193 WeakPolarHBondContact O-CB 3.3Å; I189-T193 VanDerWaalsContact O-CG2 3.26Å; I189-T193 WeakPolarHBondContact O-CG2 3.46Å; I189-T193 PolarHBondContact O-N 3.26Å; I189-T193 VanDerWaalsContact O-N 3.1Å; I189-T193 PolarHBondContact O-OG1 3.45Å; F190-T193 PolarHBondContact O-OG1 3.15Å; T193-N195 VanDerWaalsContact C-N 3.28Å; T193-N195 PolarHBondContact O-N 2.97Å; T193-L196 WeakPolarHBondContact O-CB 3.38Å; T193-L196 WeakPolarHBondContact O-CG 3.3Å; T193-L196 PolarHBondContact O-N 3.4Å
194H92.4Very high88.8Confident51 Ų5160.7 Ų60.724%0.23631%0.306CS..Hα-helixtrans-67.1-29.6179.2-160.783000112.1H105 S178 F190 Y192 L196 F197H105-H194 AromaticContact NE2-NE2 3.88Å; S178-H194 PolarHBondContact OG-ND1 2.93Å; F190-H194 HydrophobicContact CD2-CB 4.33Å; F190-H194 HydrophobicContact CE2-CB 4.05Å; F190-H194 AromaticContact CE2-CG 3.97Å; F190-H194 AromaticContact CE2-ND1 3.89Å; F190-H194 HydrophobicContact CZ-CB 4.49Å; F190-H194 WeakPolarHBondContact O-CB 3.44Å; F190-H194 PolarHBondContact O-N 3.4Å; Y192-H194 VanDerWaalsContact C-N 3.35Å; Y192-H194 PolarHBondContact O-N 2.76Å; H194-L196 PolarHBondContact O-N 2.92Å; H194-F197 VanDerWaalsContact O-CD1 3.29Å; H194-F197 WeakPolarHBondContact O-CD1 3.44Å; H194-F197 PolarHBondContact O-N 3.34Å
195N91.4Very high89.5Confident42 Ų4257.3 Ų57.323%0.22529%0.285CS..THydrogen-bonded Turntrans-64.4-13.2172.1-79.7-52.5000114W191 Y192 T193 F197 F198W191-N195 VanDerWaalsContact CE3-ND2 3.27Å; W191-N195 VanDerWaalsContact CH2-ND2 3.31Å; W191-N195 WeakPolarHBondContact CH2-ND2 3.49Å; W191-N195 WeakPolarHBondContact CZ2-ND2 3.42Å; W191-N195 WeakPolarHBondContact CZ3-ND2 3.37Å; W191-N195 PolarHBondContact O-N 2.96Å; W191-N195 PolarHBondContact O-ND2 3.36Å; Y192-N195 PolarHBondContact O-N 3.08Å; T193-N195 VanDerWaalsContact C-N 3.28Å; T193-N195 PolarHBondContact O-N 2.97Å; N195-F197 PolarHBondContact O-N 2.86Å; N195-F198 VanDerWaalsContact O-CD2 3.31Å; N195-F198 WeakPolarHBondContact O-CD2 3.36Å; N195-F198 PolarHBondContact O-N 3.39Å
196L94.8Very high90Very high54 Ų5456.8 Ų56.828%0.28327%0.273SS..THydrogen-bonded Turntrans-62.1-7.7170.9-61.5172.5000112.8V170 L173 M174 T193 H194 F198 V199 F200V170-L196 HydrophobicContact CG1-CB 3.8Å; L173-L196 HydrophobicContact CB-CD1 4.43Å; L173-L196 HydrophobicContact CD1-CD1 4.38Å; M174-L196 HydrophobicContact CG-CB 4.09Å; M174-L196 HydrophobicContact SD-CB 4.23Å; T193-L196 WeakPolarHBondContact O-CB 3.38Å; T193-L196 WeakPolarHBondContact O-CG 3.3Å; T193-L196 PolarHBondContact O-N 3.4Å; H194-L196 PolarHBondContact O-N 2.92Å; L196-F198 PolarHBondContact O-N 3.35Å; L196-V199 HydrophobicContact CD2-CG2 4.44Å; L196-V199 WeakPolarHBondContact O-CA 3.41Å; L196-V199 WeakPolarHBondContact O-CB 3.37Å; L196-V199 PolarHBondContact O-N 2.79Å; L196-F200 PolarHBondContact O-N 2.81Å
197F93.8Very high90.6Very high20 Ų2055.2 Ų55.29%0.08826%0.264CS..Hα-helixtrans-54.1-34170.984.3-89.6000112.4L72 M174 H194 N195 V199 F200 Y201 Y294L72-F197 HydrophobicContact CD2-CD2 4.32Å; L72-F197 HydrophobicContact CD2-CE2 4.28Å; M174-F197 HydrophobicContact CE-CB 3.58Å; M174-F197 HydrophobicContact SD-CB 4.3Å; H194-F197 VanDerWaalsContact O-CD1 3.29Å; H194-F197 WeakPolarHBondContact O-CD1 3.44Å; H194-F197 PolarHBondContact O-N 3.34Å; N195-F197 PolarHBondContact O-N 2.86Å; F197-V199 VanDerWaalsContact C-N 3.32Å; F197-V199 PolarHBondContact O-N 2.95Å; F197-F200 WeakPolarHBondContact O-CB 3.17Å; F197-F200 PolarHBondContact O-N 2.89Å; F197-Y201 AromaticContact CD2-CD2 3.92Å; F197-Y201 HydrophobicContact CD2-CD2 3.92Å; F197-Y201 HydrophobicContact CD2-CE2 4.02Å; F197-Y201 VanDerWaalsContact O-CD2 3.24Å; F197-Y201 WeakPolarHBondContact O-CD2 3.48Å; F197-Y201 PolarHBondContact O-N 3.12Å; F197-Y294 AromaticContact CE2-CE1 3.95Å; F197-Y294 HydrophobicContact CE2-CE1 3.95Å; F197-Y294 AromaticContact CZ-CE1 3.78Å; F197-Y294 HydrophobicContact CZ-CE1 3.78Å; F197-Y294 AromaticContact CZ-CZ 3.84Å; F197-Y294 WeakPolarHBondContact CZ-OH 3.37Å
198F92.4Very high91Very high92 Ų9252.2 Ų52.240%0.40426%0.256SS..Hα-helixtrans-59.4-44.5174.8-70.2-70.3000111.5N195 L196 Y201 M202 Y294N195-F198 VanDerWaalsContact O-CD2 3.31Å; N195-F198 WeakPolarHBondContact O-CD2 3.36Å; N195-F198 PolarHBondContact O-N 3.39Å; L196-F198 PolarHBondContact O-N 3.35Å; F198-Y201 PolarHBondContact O-N 3.09Å; F198-M202 WeakPolarHBondContact O-CG 3.36Å; F198-M202 PolarHBondContact O-N 3.05Å; F198-M202 VanDerWaalsContact O-N 3.11Å; F198-Y294 HydrophobicContact CE1-CE1 4.36Å; F198-Y294 HydrophobicContact CZ-CE1 4.4Å
199V95.3Very high91.1Very high72 Ų7253.3 Ų53.344%0.43627%0.267SS..Hα-helixtrans-65.1-43.3175.9-177.10000110.2V170 L196 F197 Y201 M202 L203V170-V199 HydrophobicContact CG2-CG1 4.44Å; L196-V199 HydrophobicContact CD2-CG2 4.44Å; L196-V199 WeakPolarHBondContact O-CA 3.41Å; L196-V199 WeakPolarHBondContact O-CB 3.37Å; L196-V199 PolarHBondContact O-N 2.79Å; F197-V199 VanDerWaalsContact C-N 3.32Å; F197-V199 PolarHBondContact O-N 2.95Å; V199-Y201 PolarHBondContact O-N 3.46Å; V199-M202 PolarHBondContact O-N 2.91Å; V199-L203 HydrophobicContact CG1-CD1 4.02Å; V199-L203 HydrophobicContact CG1-CG 4.33Å; V199-L203 WeakPolarHBondContact O-CG 3.09Å; V199-L203 PolarHBondContact O-N 3.16Å
200F95.8Very high90.5Very high18 Ų1850.9 Ų50.98%0.07926%0.262CS..Hα-helixtrans-57.1-45.8176.4178.9-91.9000112.5M167 V170 L171 L196 F197 L203 L204M167-F200 HydrophobicContact CB-CD2 4.22Å; M167-F200 HydrophobicContact CB-CE2 4.13Å; M167-F200 HydrophobicContact CE-CD2 4.14Å; M167-F200 HydrophobicContact CE-CE1 4.3Å; M167-F200 HydrophobicContact CE-CE2 3.53Å; M167-F200 HydrophobicContact CE-CZ 3.62Å; M167-F200 HydrophobicContact CG-CD2 4.32Å; M167-F200 HydrophobicContact CG-CE2 4.43Å; V170-F200 HydrophobicContact CG1-CB 3.98Å; L171-F200 HydrophobicContact CB-CE2 4.31Å; L196-F200 PolarHBondContact O-N 2.81Å; F197-F200 WeakPolarHBondContact O-CB 3.17Å; F197-F200 PolarHBondContact O-N 2.89Å; F200-L203 PolarHBondContact O-N 3.03Å; F200-L204 HydrophobicContact CE1-CD2 4.04Å; F200-L204 VanDerWaalsContact O-CB 3.27Å; F200-L204 WeakPolarHBondContact O-CB 3.49Å; F200-L204 PolarHBondContact O-N 3.28Å
201Y94Very high90.1Very high12 Ų1250.8 Ų50.85%0.04727%0.27CS..Hα-helixtrans-67.7-38.1177.9-83.6-79.6000112.6C68 I71 L72 F197 F198 V199 L204 L205 I287C68-Y201 HydrophobicContact CB-CE1 4.46Å; C68-Y201 PolarHBondContact O-OH 3Å; I71-Y201 WeakPolarHBondContact CG2-OH 3.4Å; L72-Y201 HydrophobicContact CD1-CE1 4.31Å; L72-Y201 HydrophobicContact CD1-CE2 4.16Å; L72-Y201 HydrophobicContact CD2-CE2 3.87Å; L72-Y201 HydrophobicContact CG-CE2 4.25Å; L72-Y201 WeakPolarHBondContact CG-OH 3.38Å; F197-Y201 AromaticContact CD2-CD2 3.92Å; F197-Y201 HydrophobicContact CD2-CD2 3.92Å; F197-Y201 HydrophobicContact CD2-CE2 4.02Å; F197-Y201 VanDerWaalsContact O-CD2 3.24Å; F197-Y201 WeakPolarHBondContact O-CD2 3.48Å; F197-Y201 PolarHBondContact O-N 3.12Å; F198-Y201 PolarHBondContact O-N 3.09Å; V199-Y201 PolarHBondContact O-N 3.46Å; Y201-L204 HydrophobicContact CD1-CD2 4.39Å; Y201-L204 PolarHBondContact O-N 2.99Å; Y201-L205 WeakPolarHBondContact O-CG 3.47Å; Y201-L205 PolarHBondContact O-N 3.31Å; Y201-I287 HydrophobicContact CD1-CD1 4.36Å; Y201-I287 HydrophobicContact CD1-CG2 3.65Å; Y201-I287 HydrophobicContact CE1-CD1 4.33Å; Y201-I287 HydrophobicContact CE1-CG2 3.76Å
202M92.8Very high89.8Confident127 Ų12750.2 Ų50.263%0.62627%0.272SS*.Hα-helixtrans-62-46.2174.4-70.3-61.8175.100111.3F198 V199 L204 L205 L206F198-M202 WeakPolarHBondContact O-CG 3.36Å; F198-M202 PolarHBondContact O-N 3.05Å; F198-M202 VanDerWaalsContact O-N 3.11Å; V199-M202 PolarHBondContact O-N 2.91Å; M202-L204 VanDerWaalsContact C-N 3.34Å; M202-L204 PolarHBondContact O-N 2.84Å; M202-L205 PolarHBondContact O-N 2.87Å; M202-L206 WeakPolarHBondContact O-CG 3.38Å; M202-L206 PolarHBondContact O-N 3.33Å
203L94.6Very high89.6Confident33 Ų3345.3 Ų45.317%0.17325%0.253CS..Hα-helixtrans-63.7-38.2175.3-68.8173.5000112.1C166 M167 V170 V199 F200 L205 L206 H207C166-L203 HydrophobicContact CB-CD1 3.8Å; C166-L203 HydrophobicContact CB-CD2 4.44Å; M167-L203 HydrophobicContact CG-CB 3.45Å; M167-L203 VanDerWaalsContact CG-CB 3.45Å; M167-L203 HydrophobicContact CG-CD1 4.04Å; M167-L203 HydrophobicContact CG-CG 4.4Å; M167-L203 HydrophobicContact SD-CB 4.06Å; V170-L203 HydrophobicContact CG2-CD1 4.47Å; V199-L203 HydrophobicContact CG1-CD1 4.02Å; V199-L203 HydrophobicContact CG1-CG 4.33Å; V199-L203 WeakPolarHBondContact O-CG 3.09Å; V199-L203 PolarHBondContact O-N 3.16Å; F200-L203 PolarHBondContact O-N 3.03Å; L203-L205 PolarHBondContact O-N 3.04Å; L203-L206 CarbonylContact O-C 3.6Å; L203-L206 PolarHBondContact O-N 3.22Å; L203-H207 VanDerWaalsContact O-CB 3.24Å; L203-H207 WeakPolarHBondContact O-CB 3.32Å; L203-H207 PolarHBondContact O-N 3.05Å
204L93.3Very high89.2Confident14 Ų1446.5 Ų46.57%0.07326%0.256CS..Hα-helixtrans-64-39177.417756.1000112.2C68 M167 F200 Y201 M202 H207 V208 T283 I287C68-L204 HydrophobicContact CB-CD2 4.25Å; M167-L204 HydrophobicContact CE-CB 3.73Å; M167-L204 HydrophobicContact CE-CD1 3.8Å; M167-L204 HydrophobicContact CE-CG 4.24Å; M167-L204 HydrophobicContact SD-CB 4.17Å; F200-L204 HydrophobicContact CE1-CD2 4.04Å; F200-L204 VanDerWaalsContact O-CB 3.27Å; F200-L204 WeakPolarHBondContact O-CB 3.49Å; F200-L204 PolarHBondContact O-N 3.28Å; Y201-L204 HydrophobicContact CD1-CD2 4.39Å; Y201-L204 PolarHBondContact O-N 2.99Å; M202-L204 VanDerWaalsContact C-N 3.34Å; M202-L204 PolarHBondContact O-N 2.84Å; L204-H207 PolarHBondContact O-N 3.05Å; L204-V208 WeakPolarHBondContact O-CG2 3.46Å; L204-T283 HydrophobicContact CD1-CG2 4.21Å; L204-T283 HydrophobicContact CG-CG2 4.26Å; L204-I287 HydrophobicContact CD2-CD1 3.32Å; L204-I287 HydrophobicContact CG-CD1 3.83Å
205L90.4Very high88.8Confident24 Ų2446.7 Ų46.713%0.12626%0.255CS..Hα-helixtrans-66.3-38.9175.5-68.6176.8000112Y201 M202 L203 W284Y201-L205 WeakPolarHBondContact O-CG 3.47Å; Y201-L205 PolarHBondContact O-N 3.31Å; M202-L205 PolarHBondContact O-N 2.87Å; L203-L205 PolarHBondContact O-N 3.04Å; L205-W284 HydrophobicContact CB-CH2 4.39Å; L205-W284 HydrophobicContact CB-CZ2 3.75Å; L205-W284 HydrophobicContact CD1-CH2 4.39Å; L205-W284 HydrophobicContact CD2-CD2 3.79Å; L205-W284 HydrophobicContact CD2-CE3 4.24Å; L205-W284 HydrophobicContact CD2-CG 4.05Å; L205-W284 HydrophobicContact CD2-CZ2 4.21Å; L205-W284 HydrophobicContact CG-CZ2 4.36Å; L205-W284 PolarHBondContact O-NE1 2.95Å; L205-W284 VanDerWaalsContact O-NE1 3.17Å
206L91.3Very high88.6Confident95 Ų9544.8 Ų44.850%0.49725%0.245SC..Hα-helixtrans-71.4-35.2174.4-68173.6000112.7T163 M202 L203 V208 S209T163-L206 HydrophobicContact CG2-CB 4.13Å; M202-L206 WeakPolarHBondContact O-CG 3.38Å; M202-L206 PolarHBondContact O-N 3.33Å; L203-L206 CarbonylContact O-C 3.6Å; L203-L206 PolarHBondContact O-N 3.22Å; L206-V208 PolarHBondContact O-N 2.96Å; L206-S209 PolarHBondContact O-N 3.17Å; L206-S209 PolarHBondContact O-OG 3.04Å
207H91.5Very high88.2Confident32 Ų3245.4 Ų45.415%0.14825%0.251CS..Hα-helixtrans-59-37-177.7178.374.6000112.4P160 T163 M167 L203 L204P160-H207 PolarHBondContact O-CE1 3.49Å; P160-H207 PolarHBondContact O-ND1 3.08Å; T163-H207 VanDerWaalsContact OG1-CA 3.29Å; T163-H207 WeakPolarHBondContact OG1-CA 3.48Å; T163-H207 WeakPolarHBondContact OG1-CB 3.41Å; T163-H207 PolarHBondContact OG1-ND1 3.22Å; M167-H207 HydrophobicContact SD-CB 3.92Å; L203-H207 VanDerWaalsContact O-CB 3.24Å; L203-H207 WeakPolarHBondContact O-CB 3.32Å; L203-H207 PolarHBondContact O-N 3.05Å; L204-H207 PolarHBondContact O-N 3.05Å
208V86.6Confident87.8Confident40 Ų4045.2 Ų45.224%0.24225%0.251CS..G310 helixtrans-86.8-11.8-175.4-167.50000112.3L204 L206 G210 P281 T283L204-V208 WeakPolarHBondContact O-CG2 3.46Å; L206-V208 PolarHBondContact O-N 2.96Å; V208-G210 VanDerWaalsContact C-N 3.26Å; V208-G210 PolarHBondContact O-N 3.1Å; V208-P281 HydrophobicContact CB-CB 4.2Å; V208-P281 HydrophobicContact CG1-CB 3.54Å; V208-T283 HydrophobicContact CG2-CG2 3.99Å
209S83.8Confident87.2Confident71 Ų7142.8 Ų42.850%0.49724%0.242SC..G310 helixtrans-75.7-12.5179.770.20000113.9L206 G211L206-S209 PolarHBondContact O-N 3.17Å; L206-S209 PolarHBondContact O-OG 3.04Å; S209-G211 PolarHBondContact O-N 3.32Å
210G74.6Confident86.4Confident31 Ų3147.1 Ų47.132%0.3226%0.262SS..G310 helixtrans-71-7.6-173.600000116.2V208 L212V208-G210 VanDerWaalsContact C-N 3.26Å; V208-G210 PolarHBondContact O-N 3.1Å; G210-L212 PolarHBondContact O-N 3.41Å
211G78.3Confident85.5Confident29 Ų2948.3 Ų48.330%0.29927%0.271SS..  trans56.419.4168.900000116.8S209 L213S209-G211 PolarHBondContact O-N 3.32Å; G211-L213 VanDerWaalsContact C-N 3.32Å; G211-L213 PolarHBondContact O-N 2.81Å
212L79.4Confident84.7Confident54 Ų5448.4 Ų48.428%0.28327%0.272SS..  trans-66.2-29.5-167.4-162.5101000113.8F130 A143 T158 P160 G210F130-L212 HydrophobicContact CE2-CD2 4.07Å; A143-L212 HydrophobicContact CB-CD1 4.05Å; A143-L212 HydrophobicContact CB-CD2 3.99Å; A143-L212 HydrophobicContact CB-CG 4.05Å; T158-L212 HydrophobicContact CG2-CD1 4.08Å; P160-L212 HydrophobicContact CG-CB 4.41Å; G210-L212 PolarHBondContact O-N 3.41Å
213L82.2Confident84.1Confident10 Ų1043.6 Ų43.65%0.05225%0.251CS..  trans-99.7131.9177.1-61.9-160000110.9I46 L50 L54 R58 F130 G211I46-L213 HydrophobicContact CD1-CB 4.27Å; I46-L213 HydrophobicContact CD1-CD2 3.89Å; L50-L213 HydrophobicContact CD1-CD2 4.18Å; L54-L213 HydrophobicContact CD1-CD1 3.34Å; R58-L213 HydrophobicContact CG-CD1 4.27Å; F130-L213 HydrophobicContact CE2-CD2 4.31Å; F130-L213 HydrophobicContact CZ-CD2 4Å; G211-L213 VanDerWaalsContact C-N 3.32Å; G211-L213 PolarHBondContact O-N 2.81Å
214K84.8Confident83.3Confident56 Ų5644.3 Ų44.324%0.24326%0.257CS..EExtended strand (participates in β ladder)trans-119.2154-179.9-55.2-178.3-177.21740110.7E140 L141 F276 Q277 A278E140-K214 WeakPolarHBondContact O-CD 3.46Å; E140-K214 VanDerWaalsContact O-CE 3.25Å; E140-K214 WeakPolarHBondContact O-CE 3.36Å; E140-K214 PolarHBondContact O-NZ 3.07Å; L141-K214 HydrophobicContact CD1-CB 4.13Å; K214-F276 HydrophobicContact CB-CB 3.98Å; K214-F276 HydrophobicContact CD-CB 4.04Å; K214-Q277 CarbonylContact C-O 3.55Å; K214-Q277 WeakPolarHBondContact CA-O 3.35Å; K214-Q277 WeakPolarHBondContact CB-O 3.22Å; K214-A278 HydrophobicContact CG-CB 4.36Å
215Y84.7Confident82.2Confident54 Ų5446 Ų4621%0.21228%0.278CS..EExtended strand (participates in β ladder)trans-120.5158173.467.9-79.4000109.6T217 F276 Q277 H279Y215-T217 HydrophobicContact CD2-CG2 4.35Å; Y215-T217 HydrophobicContact CE2-CG2 3.75Å; Y215-F276 WeakPolarHBondContact O-CA 3.3Å; Y215-Q277 WeakPolarHBondContact CD1-O 3.28Å; Y215-Q277 HydrophobicContact CE1-CB 4.24Å; Y215-Q277 WeakPolarHBondContact CE1-O 3.26Å; Y215-Q277 PolarHBondContact N-O 2.78Å; Y215-Q277 PolarHBondContact O-N 3.13Å; Y215-H279 AromaticContact CD1-CD2 3.85Å; Y215-H279 AromaticContact CD1-CE1 3.13Å; Y215-H279 WeakPolarHBondContact CD1-CE1 3.44Å; Y215-H279 AromaticContact CD1-CG 3.89Å; Y215-H279 AromaticContact CD1-ND1 3.47Å; Y215-H279 WeakPolarHBondContact CD1-ND1 3.31Å; Y215-H279 AromaticContact CD1-NE2 3.4Å; Y215-H279 WeakPolarHBondContact CD1-NE2 3.46Å; Y215-H279 AromaticContact CE1-CE1 3.75Å; Y215-H279 AromaticContact CE1-ND1 3.66Å; Y215-H279 AromaticContact CG-CE1 3.6Å; Y215-H279 AromaticContact CG-NE2 3.83Å
216Q86.9Confident81.4Confident2 Ų245.9 Ų45.91%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-80132.7177.8-169.4-170.6-9.500110.7E42 Y45 N218 H222 K275 F276E42-Q216 PolarHBondContact O-N 2.75Å; Y45-Q216 VanDerWaalsContact CE2-OE1 3.25Å; Q216-N218 WeakPolarHBondContact CG-OD1 3.49Å; Q216-N218 PolarHBondContact NE2-O 3.17Å; Q216-N218 PolarHBondContact NE2-OD1 3.49Å; Q216-H222 PolarHBondContact NE2-ND1 3.37Å; Q216-H222 VanDerWaalsContact NE2-ND1 3.14Å; Q216-H222 PolarHBondContact NE2-O 2.87Å; Q216-K275 WeakPolarHBondContact CA-O 3.35Å; Q216-F276 HydrophobicContact CB-CD1 4.34Å; Q216-F276 HydrophobicContact CB-CE1 4.19Å
217T86Confident80.1Confident67 Ų6746.2 Ų46.241%0.41128%0.28SS..SBendtrans-98.2-29.1-179.1540000113.8Y215 L219 K275 Q277Y215-T217 HydrophobicContact CD2-CG2 4.35Å; Y215-T217 HydrophobicContact CE2-CG2 3.75Å; T217-L219 PolarHBondContact O-N 3.29Å; T217-K275 PolarHBondContact N-O 2.92Å; T217-K275 PolarHBondContact OG1-O 3.04Å; T217-Q277 HydrophobicContact CG2-CB 3.67Å
218N85.3Confident78.5Confident17 Ų1746.9 Ų46.99%0.09129%0.289CS..  trans-100.456.4-172.570.2-38.7000113.5Q216 D220 T221 H222 E273 K275Q216-N218 WeakPolarHBondContact CG-OD1 3.49Å; Q216-N218 PolarHBondContact NE2-O 3.17Å; Q216-N218 PolarHBondContact NE2-OD1 3.49Å; N218-D220 VanDerWaalsContact C-N 3.32Å; N218-D220 PolarHBondContact O-N 3.28Å; N218-T221 WeakPolarHBondContact CB-OG1 3.35Å; N218-T221 PolarHBondContact ND2-OG1 2.93Å; N218-H222 PolarHBondContact O-N 3.45Å; N218-E273 PolarHBondContact ND2-O 3.47Å; N218-K275 PolarHBondContact OD1-N 2.91Å
219L80.8Confident77Confident41 Ų4150.4 Ų50.422%0.21531%0.305CS..THydrogen-bonded Turntrans-65.1-32.1-178.2-73.1178.2000114.2P41 E42 T217 H222 P224P41-L219 HydrophobicContact CB-CD1 4.26Å; P41-L219 HydrophobicContact CB-CD2 4.18Å; P41-L219 HydrophobicContact CG-CD1 4.02Å; E42-L219 HydrophobicContact CB-CD1 4.46Å; E42-L219 HydrophobicContact CG-CD1 3.51Å; E42-L219 HydrophobicContact CG-CG 4.41Å; T217-L219 PolarHBondContact O-N 3.29Å; L219-H222 CarbonylContact O-C 3.42Å; L219-P224 HydrophobicContact CD2-CG 4.27Å
220D78.2Confident75.4Confident162 Ų16254.1 Ų54.187%0.86632%0.32SS*.THydrogen-bonded Turntrans-72.7-35.7-177.4-62.6-38000112.1N218N218-D220 VanDerWaalsContact C-N 3.32Å; N218-D220 PolarHBondContact O-N 3.28Å
221T76.1Confident74Confident44 Ų4458.9 Ų58.927%0.2733%0.334SS..THydrogen-bonded Turntrans-90.8-22.7178.861.10000112.9N218 L271 E272N218-T221 WeakPolarHBondContact CB-OG1 3.35Å; N218-T221 PolarHBondContact ND2-OG1 2.93Å; T221-L271 PolarHBondContact O-N 3.39Å; T221-E272 PolarHBondContact OG1-OE2 3.17Å
222H77.4Confident72.2Confident13 Ų1362.2 Ų62.26%0.0635%0.349CS..SBendtrans-136.285.5177.9-173.4-94.5000111.5Y45 Q216 N218 L219 C226 C270 E272Y45-H222 AromaticContact CE2-CE1 3.75Å; Y45-H222 AromaticContact CE2-ND1 3.9Å; Y45-H222 AromaticContact CZ-CE1 3.46Å; Y45-H222 VanDerWaalsContact CZ-CE1 3.46Å; Y45-H222 PolarHBondContact OH-CE1 3.22Å; Q216-H222 PolarHBondContact NE2-ND1 3.37Å; Q216-H222 VanDerWaalsContact NE2-ND1 3.14Å; Q216-H222 PolarHBondContact NE2-O 2.87Å; N218-H222 PolarHBondContact O-N 3.45Å; L219-H222 CarbonylContact O-C 3.42Å; H222-C226 PolarHBondContact CD2-SG 2.84Å; H222-C226 PolarHBondContact NE2-SG 3.12Å; H222-C226 VanDerWaalsContact NE2-SG 3.37Å; H222-C270 VanDerWaalsContact CD2-SG 3.58Å; H222-E272 PolarHBondContact CD2-O 3.48Å
223P80.4Confident70.3Confident27 Ų2768.3 Ų68.318%0.17538%0.375CS..  trans-71.8145.117726.5-29.8000111.1G225 C226 K268P223-G225 PolarHBondContact O-N 3.01Å; P223-C226 HydrophobicContact CG-CB 4.16Å; P223-C226 WeakPolarHBondContact O-CB 3.32Å; P223-C226 PolarHBondContact O-N 3.21Å; P223-C226 PolarHBondContact O-SG 3.06Å; P223-C226 VanDerWaalsContact O-SG 3.36Å; P223-K268 HydrophobicContact CB-CD 4.45Å; P223-K268 HydrophobicContact CG-CB 4.35Å; P223-K268 HydrophobicContact CG-CD 3.91Å
224P77.7Confident68.2Low47 Ų4775.3 Ų75.331%0.30541%0.413SS..THydrogen-bonded Turntrans-52.2126.9177.9-29.236000113.4P41 Y44 L219P41-P224 HydrophobicContact CB-CG 4.02Å; Y44-P224 HydrophobicContact CD1-CB 3.67Å; Y44-P224 HydrophobicContact CD2-CB 4.04Å; Y44-P224 HydrophobicContact CE1-CB 4.13Å; Y44-P224 HydrophobicContact CE2-CB 4.47Å; Y44-P224 HydrophobicContact CG-CB 3.59Å; Y44-P224 HydrophobicContact CG-CG 4.32Å; L219-P224 HydrophobicContact CD2-CG 4.27Å
225G70.4Confident65.7Low51 Ų5180.6 Ų80.653%0.52644%0.438SS..THydrogen-bonded Turntrans81.516.917900000115.5Y45 P223Y45-G225 PolarHBondContact OH-N 2.81Å; P223-G225 PolarHBondContact O-N 3.01Å
226C74.1Confident63.3Low20 Ų2085.6 Ų85.614%0.13547%0.469CS..PPolyproline II helixtrans-71151.5169.368.90000111.4H222 P223 K268 C270H222-C226 PolarHBondContact CD2-SG 2.84Å; H222-C226 PolarHBondContact NE2-SG 3.12Å; H222-C226 VanDerWaalsContact NE2-SG 3.37Å; P223-C226 HydrophobicContact CG-CB 4.16Å; P223-C226 WeakPolarHBondContact O-CB 3.32Å; P223-C226 PolarHBondContact O-N 3.21Å; P223-C226 PolarHBondContact O-SG 3.06Å; P223-C226 VanDerWaalsContact O-SG 3.36Å; C226-K268 WeakPolarHBondContact CA-O 2.83Å; C226-K268 VanDerWaalsContact CB-O 3.27Å; C226-K268 WeakPolarHBondContact CB-O 3.35Å; C226-C270 HydrophobicContact CB-CB 4.11Å; C226-C270 WeakPolarHBondContact CB-SG 3.41Å; C226-C270 PolarHBondContact O-SG 2.64Å; C226-C270 VanDerWaalsContact O-SG 3.39Å; C226-C270 WeakPolarHBondContact SG-CB 3.32Å; C226-C270 CovalentContact SG-SG 2.03Å; C226-C270 PolarHBondContact SG-SG 2.89Å
227I62.1Low60.6Low102 Ų10293 Ų9352%0.52351%0.507SS..BIsolated β-bridgetrans-97128.6179.6-58.4172.5000108.1V267 C270I227-V267 HydrophobicContact CD1-CG1 4.08Å; I227-C270 PolarHBondContact O-N 3.31Å
228S59.3Low58Low47 Ų47100.1 Ų100.133%0.32953%0.528SS..PPolyproline II helixtrans-76.7137.5177.677.40000110.4N230S228-N230 VanDerWaalsContact C-N 3.25Å; S228-N230 PolarHBondContact O-N 2.98Å
229L53.7Low55.6Low113 Ų113104.2 Ų104.259%0.59256%0.558SS**G310 helixtrans-64.4-29.9180-108152.5000112.5Q231 T232 I269L229-Q231 VanDerWaalsContact C-N 3.3Å; L229-Q231 PolarHBondContact O-N 3.46Å; L229-T232 PolarHBondContact O-N 3.33Å; L229-T232 PolarHBondContact O-OG1 3.02Å; L229-I269 HydrophobicContact CD1-CG2 3.42Å; L229-I269 VanDerWaalsContact CD1-CG2 3.42Å; L229-I269 HydrophobicContact CG-CG2 3.9Å
230N50.3Low53.2Low150 Ų150108.3 Ų108.380%0.80259%0.587SS**G310 helixtrans-74.4-10.8-175.3-76.9-4.8000114.9S228S228-N230 VanDerWaalsContact C-N 3.25Å; S228-N230 PolarHBondContact O-N 2.98Å
231Q45Very low51.1Low130 Ų130109.1 Ų109.161%0.60759%0.585SS**G310 helixtrans-90.3-2.4176.8-84.6-178.5-18.900114.2L229 Q233L229-Q231 VanDerWaalsContact C-N 3.3Å; L229-Q231 PolarHBondContact O-N 3.46Å; Q231-Q233 VanDerWaalsContact C-N 3.3Å; Q231-Q233 PolarHBondContact O-N 2.85Å
232T41.8Very low48.8Very low100 Ų100113.9 Ų113.961%0.61361%0.609SS**THydrogen-bonded Turntrans-83.74.2179.551.50000114.8L229L229-T232 PolarHBondContact O-N 3.33Å; L229-T232 PolarHBondContact O-OG1 3.02Å
233Q39.7Very low46.4Very low181 Ų181123.3 Ų123.385%0.84665%0.651SS**THydrogen-bonded Turntrans-88.4-5.8178.3-140.3170.48.100114.4Q231Q231-Q233 VanDerWaalsContact C-N 3.3Å; Q231-Q233 PolarHBondContact O-N 2.85Å
234D36.9Very low43.8Very low158 Ų158127.2 Ų127.285%0.84568%0.678SS**SBendtrans-120.214.3-176.7-91.2-24.4000115
235Q33.4Very low41.5Very low166 Ų166132.9 Ų132.978%0.77670%0.701SS**  trans-12993.8168.2-74.1-171-11.200110.4I237Q235-I237 PolarHBondContact O-N 3.12Å; Q235-I237 VanDerWaalsContact O-N 3.08Å
236D33.8Very low39.3Very low160 Ų160136.9 Ų136.986%0.85671%0.706SS**  trans-51.2109.1167.2-74.9-41.2000110.4Y238D236-Y238 PolarHBondContact O-N 3.38Å
237I30.7Very low37Very low157 Ų157145 Ų14581%0.80574%0.739SS**  trans-81.4106.2169.8-64.3175.3000107.4Q235 S239Q235-I237 PolarHBondContact O-N 3.12Å; Q235-I237 VanDerWaalsContact O-N 3.08Å; I237-S239 PolarHBondContact O-N 3.12Å
238Y31.1Very low35.3Very low217 Ų217149.2 Ų149.285%0.85176%0.756SS**  trans-69.3118.1164.2-106.6-96.8000109.8D236D236-Y238 PolarHBondContact O-N 3.38Å
239S33.9Very low33.7Very low103 Ų103150.3 Ų150.372%0.7277%0.774SS**  trans-75.4142.3165.5-60.10000110.8I237I237-S239 PolarHBondContact O-N 3.12Å
240P32.3Very low32.5Very low126 Ų126151 Ų15182%0.81879%0.786SS**  trans-115.5115.8151.914.16.1000110.4
241E32.4Very low31.6Very low179 Ų179151.4 Ų151.484%0.83679%0.787SS**  trans-66.9158.3155.9-72.9179.7148.900110.5
242D28.1Very low30.8Very low145 Ų145151.1 Ų151.178%0.77580%0.796SS**  trans70.1106.9164.5-70.8-21.3000119.4
243F27.1Very low30.1Very low211 Ų211155.5 Ų155.593%0.92581%0.81SS**  -152127.9129.7-105-77000112.5
244S26.4Very low29.6Very low108 Ų108150.2 Ų150.276%0.75580%0.804SS**  trans74.689155.182.30000121
245E28.2Very low29Very low167 Ų167152.3 Ų152.378%0.7881%0.806SS**  -1.3141.8115.5-103.3-171.8-178.700120.8
246H25.9Very low28.7Very low135 Ų135149.4 Ų149.463%0.62580%0.804SS**  trans102.2115.3144-82.172.8000122.2
247F24.7Very low28.5Very low189 Ų189151 Ų15183%0.82980%0.803SS**  trans122.3120.9137.1-87.4-73000120.5
248H27Very low28.3Very low191 Ų191149.4 Ų149.488%0.88480%0.803SS**  trans-74.3155.5179.9-71.4-91.5000115
249G26.3Very low28.1Very low70 Ų70147.4 Ų147.472%0.72280%0.801SS**  trans161.7135.9154.900000114.8
250P28.4Very low27.8Very low129 Ų129146.5 Ų146.584%0.83880%0.8SS**  trans-87.1158.4-163.435-35000115.7
251L30.1Very low27.5Very low158 Ų158151.1 Ų151.183%0.82780%0.802SS**  trans-51.1159.3174.8-88.190.4000114.8
252P28.1Very low27.4Very low123 Ų123149 Ų14980%0.79980%0.796SS**  trans-116.3144.513219.3-1.4000112.7
253E28.2Very low27.7Very low193 Ų193150.1 Ų150.190%0.90280%0.797SS**  trans-68.8143.5179.3-64.9174137.500112.9
254G27.8Very low28.1Very low69 Ų69148.5 Ų148.571%0.71179%0.789SS**  trans169.584.9169.800000115.4
255F25.4Very low28.8Very low203 Ų203149.6 Ų149.689%0.8979%0.791SS**  trans69.6115154.9-84.1-93.7000121.4
256S26.1Very low29.7Very low104 Ų104148.4 Ų148.473%0.72779%0.79SS**  trans68.6117.5142.753.70000120.2
257K29.6Very low30.8Very low193 Ų193146.4 Ų146.484%0.83979%0.787SS**  trans-44144.7166.9-75.7177.2173.6179.40112.6
258P28.2Very low32.4Very low124 Ų124143.6 Ų143.681%0.80577%0.774SS**  -121.8143.2111.622-7.7000111.4A260P258-A260 PolarHBondContact O-N 2.83Å
259E26.6Very low34.2Very low175 Ų175139.2 Ų139.282%0.81876%0.756SS**  trans-51.5130177.5-69.4166.814600111.6R261E259-R261 PolarHBondContact O-N 2.98Å
260A27.8Very low36.3Very low85 Ų85136.8 Ų136.870%0.70273%0.728SS**  trans-55.6107.2168.200000109.4P258 N262P258-A260 PolarHBondContact O-N 2.83Å; A260-N262 PolarHBondContact O-N 3.45Å
261R25.9Very low38.2Very low223 Ų223137.6 Ų137.684%0.84272%0.724SS**  trans-69.780162.6-169.1175.4-168.1167.82.5107.5E259 Q263E259-R261 PolarHBondContact O-N 2.98Å; R261-Q263 VanDerWaalsContact C-N 3.29Å; R261-Q263 PolarHBondContact O-N 2.92Å
262N30.3Very low40.4Very low135 Ų135134.4 Ų134.472%0.72271%0.705SS**  trans-6496.1166-93-20000107.9A260 K264A260-N262 PolarHBondContact O-N 3.45Å; N262-K264 PolarHBondContact O-N 3.16Å
263Q33.1Very low42.7Very low168 Ų168136.2 Ų136.279%0.78570%0.703SS**  trans-73.670.4172-152.3156.2-2.700107.9R261 T265R261-Q263 VanDerWaalsContact C-N 3.29Å; R261-Q263 PolarHBondContact O-N 2.92Å; Q263-T265 PolarHBondContact O-N 3.45Å
264K36.8Very low45.1Very low177 Ų177128.2 Ų128.277%0.7767%0.668SS**  trans-70105.9163.6-78.3-174.3176.9-177.20106.7N262 L266N262-K264 PolarHBondContact O-N 3.16Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 2.93Å
265T40.6Very low47.7Very low130 Ų130130.4 Ų130.480%0.79866%0.657SS**  trans-52.596.6163.4-35.30000107.3Q263 V267Q263-T265 PolarHBondContact O-N 3.45Å; T265-V267 VanDerWaalsContact C-N 3.3Å; T265-V267 PolarHBondContact O-N 3.4Å
266L46.8Very low50.7Low143 Ų143122 Ų12275%0.74962%0.621SS**  trans-72.989.6-178.2-161.1107.3000107.6K264 K268K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 2.93Å; L266-K268 HydrophobicContact CD2-CG 4.27Å; L266-K268 PolarHBondContact O-N 3.19Å
267V50.1Low53.5Low93 Ų93122.1 Ų122.156%0.56461%0.61SS**  trans-59.2107.4170179.40000106.8I227 T265 I269I227-V267 HydrophobicContact CD1-CG1 4.08Å; T265-V267 VanDerWaalsContact C-N 3.3Å; T265-V267 PolarHBondContact O-N 3.4Å; V267-I269 PolarHBondContact O-N 3.07Å
268K58.2Low56.1Low130 Ų130114.8 Ų114.857%0.56559%0.585SS**  trans-76.2110.9176.9-78.2-173.4178.4-176.30108.5P223 C226 L266P223-K268 HydrophobicContact CB-CD 4.45Å; P223-K268 HydrophobicContact CG-CB 4.35Å; P223-K268 HydrophobicContact CG-CD 3.91Å; C226-K268 WeakPolarHBondContact CA-O 2.83Å; C226-K268 VanDerWaalsContact CB-O 3.27Å; C226-K268 WeakPolarHBondContact CB-O 3.35Å; L266-K268 HydrophobicContact CD2-CG 4.27Å; L266-K268 PolarHBondContact O-N 3.19Å
269I64.9Low58.5Low99 Ų99111.2 Ų111.251%0.50856%0.558SS.*BIsolated β-bridgetrans-79.3133.7175-60.9170.2000108.1L229 V267L229-I269 HydrophobicContact CD1-CG2 3.42Å; L229-I269 VanDerWaalsContact CD1-CG2 3.42Å; L229-I269 HydrophobicContact CG-CG2 3.9Å; V267-I269 PolarHBondContact O-N 3.07Å
270C70.1Confident61.2Low18 Ų18109.7 Ų109.712%0.12255%0.548CS..  trans-68.3131.6176.3-52.90000110.7H222 C226 I227H222-C270 VanDerWaalsContact CD2-SG 3.58Å; C226-C270 HydrophobicContact CB-CB 4.11Å; C226-C270 WeakPolarHBondContact CB-SG 3.41Å; C226-C270 PolarHBondContact O-SG 2.64Å; C226-C270 VanDerWaalsContact O-SG 3.39Å; C226-C270 WeakPolarHBondContact SG-CB 3.32Å; C226-C270 CovalentContact SG-SG 2.03Å; C226-C270 PolarHBondContact SG-SG 2.89Å; I227-C270 PolarHBondContact O-N 3.31Å
271L67.6Low63.8Low146 Ų146107.2 Ų107.276%0.76453%0.526SS*.SBendtrans-87.1-31.9176.3-69.8165000112.4T221T221-L271 PolarHBondContact O-N 3.39Å
272E75.9Confident66.5Low91 Ų91102.2 Ų102.243%0.42551%0.511SS..SBendtrans-142.3160.2-179-63.5-173.815800110.4T221 H222 K275T221-E272 PolarHBondContact OG1-OE2 3.17Å; H222-E272 PolarHBondContact CD2-O 3.48Å; E272-K275 IonicContact OE2-NZ 3.67Å
273E76.5Confident69.1Low162 Ų16296.1 Ų96.176%0.75748%0.479SS*.  trans-68.3151.7171.6-68.2-175.6171.200112.1N218 K275N218-E273 PolarHBondContact ND2-O 3.47Å; E273-K275 PolarHBondContact O-N 3.38Å
274P78.6Confident71.7Confident24 Ų2493.9 Ų93.916%0.15646%0.464CS..  trans-67.5132.9179.424-28.8000111.8F138 F276F138-P274 HydrophobicContact CD1-CG 4.05Å; F138-P274 HydrophobicContact CE1-CG 3.58Å; P274-F276 HydrophobicContact CB-CE2 3.93Å; P274-F276 HydrophobicContact CB-CZ 3.82Å; P274-F276 HydrophobicContact CG-CE2 4.09Å; P274-F276 HydrophobicContact CG-CZ 4.2Å
275K83.5Confident74.1Confident115 Ų11590.9 Ų90.950%0.546%0.455SS..  trans-106.6131.4176.3-68.3175.6-178160.10110.3Q216 T217 N218 E272 E273Q216-K275 WeakPolarHBondContact CA-O 3.35Å; T217-K275 PolarHBondContact N-O 2.92Å; T217-K275 PolarHBondContact OG1-O 3.04Å; N218-K275 PolarHBondContact OD1-N 2.91Å; E272-K275 IonicContact OE2-NZ 3.67Å; E273-K275 PolarHBondContact O-N 3.38Å
276F86.7Confident76.5Confident26 Ų2689 Ų8911%0.11443%0.434CS..EExtended strand (participates in β ladder)trans-115.3135.5-176.6-60.9-75.1000112Y45 F138 E140 L141 K214 Y215 Q216 P274Y45-F276 HydrophobicContact CD2-CE1 4.23Å; Y45-F276 HydrophobicContact CD2-CZ 4.21Å; Y45-F276 HydrophobicContact CG-CZ 4.33Å; F138-F276 HydrophobicContact CD1-CE2 4.12Å; F138-F276 HydrophobicContact CD1-CZ 4.35Å; E140-F276 HydrophobicContact CB-CD2 4.46Å; L141-F276 HydrophobicContact CD1-CD1 4.1Å; L141-F276 HydrophobicContact CD1-CE1 4.35Å; L141-F276 HydrophobicContact CD1-CG 4.44Å; L141-F276 HydrophobicContact CD2-CE1 4.16Å; L141-F276 HydrophobicContact CD2-CZ 4.24Å; K214-F276 HydrophobicContact CB-CB 3.98Å; K214-F276 HydrophobicContact CD-CB 4.04Å; Y215-F276 WeakPolarHBondContact O-CA 3.3Å; Q216-F276 HydrophobicContact CB-CD1 4.34Å; Q216-F276 HydrophobicContact CB-CE1 4.19Å; P274-F276 HydrophobicContact CB-CE2 3.93Å; P274-F276 HydrophobicContact CB-CZ 3.82Å; P274-F276 HydrophobicContact CG-CE2 4.09Å; P274-F276 HydrophobicContact CG-CZ 4.2Å
277Q86.1Confident78.5Confident108 Ų10882.2 Ų82.251%0.50540%0.398SS..EExtended strand (participates in β ladder)trans-126.6140.6176.5-168174.211.500111K214 Y215 T217K214-Q277 CarbonylContact C-O 3.55Å; K214-Q277 WeakPolarHBondContact CA-O 3.35Å; K214-Q277 WeakPolarHBondContact CB-O 3.22Å; Y215-Q277 WeakPolarHBondContact CD1-O 3.28Å; Y215-Q277 HydrophobicContact CE1-CB 4.24Å; Y215-Q277 WeakPolarHBondContact CE1-O 3.26Å; Y215-Q277 PolarHBondContact N-O 2.78Å; Y215-Q277 PolarHBondContact O-N 3.13Å; T217-Q277 HydrophobicContact CG2-CB 3.67Å
278A83.9Confident80.4Confident39 Ų3980.5 Ų80.532%0.32239%0.39SS..EExtended strand (participates in β ladder)trans-69.5142.7173.600000110.8K214K214-A278 HydrophobicContact CG-CB 4.36Å
279H79.8Confident82Confident48 Ų4876.4 Ų76.422%0.22238%0.384CS..PPolyproline II helixtrans-65.8143.6174-76.9-70.9000112.4Y43 Y215Y43-H279 AromaticContact CE1-CE1 3.85Å; Y43-H279 AromaticContact CE1-NE2 3.32Å; Y43-H279 VanDerWaalsContact CE1-NE2 3.32Å; Y43-H279 WeakPolarHBondContact CE1-NE2 3.49Å; Y43-H279 AromaticContact CZ-CE1 3.9Å; Y43-H279 AromaticContact CZ-NE2 3.83Å; Y43-H279 PolarHBondContact OH-CE1 2.79Å; Y43-H279 PolarHBondContact OH-NE2 3.17Å; Y215-H279 AromaticContact CD1-CD2 3.85Å; Y215-H279 AromaticContact CD1-CE1 3.13Å; Y215-H279 WeakPolarHBondContact CD1-CE1 3.44Å; Y215-H279 AromaticContact CD1-CG 3.89Å; Y215-H279 AromaticContact CD1-ND1 3.47Å; Y215-H279 WeakPolarHBondContact CD1-ND1 3.31Å; Y215-H279 AromaticContact CD1-NE2 3.4Å; Y215-H279 WeakPolarHBondContact CD1-NE2 3.46Å; Y215-H279 AromaticContact CE1-CE1 3.75Å; Y215-H279 AromaticContact CE1-ND1 3.66Å; Y215-H279 AromaticContact CG-CE1 3.6Å; Y215-H279 AromaticContact CG-NE2 3.83Å
280F81.9Confident83.3Confident143 Ų14372.6 Ų72.663%0.62737%0.366SS*.PPolyproline II helixtrans-61.5134.7163-175.5-95.9000110Q282 I285F280-Q282 VanDerWaalsContact C-N 3.33Å; F280-Q282 PolarHBondContact O-N 2.99Å; F280-I285 HydrophobicContact CE1-CD1 4.16Å; F280-I285 HydrophobicContact CE1-CG1 4.39Å
281P82.4Confident84.3Confident34 Ų3473.2 Ų73.222%0.22137%0.368CS..  trans-69.783.4-176.829.8-38000111.9V208 T283 W284V208-P281 HydrophobicContact CB-CB 4.2Å; V208-P281 HydrophobicContact CG1-CB 3.54Å; P281-T283 PolarHBondContact O-N 2.8Å; P281-T283 VanDerWaalsContact O-N 3.07Å; P281-W284 PolarHBondContact O-N 3.24Å
282Q82.8Confident85.5Confident117 Ų11770.3 Ų70.355%0.54736%0.359SS..THydrogen-bonded Turntrans-56.7-28.9-176.3-67.7-177.6-4.900113.4F280 W284 I285 W286F280-Q282 VanDerWaalsContact C-N 3.33Å; F280-Q282 PolarHBondContact O-N 2.99Å; Q282-W284 PolarHBondContact O-N 3.14Å; Q282-W284 VanDerWaalsContact O-N 3.09Å; Q282-I285 WeakPolarHBondContact O-CB 3.44Å; Q282-I285 PolarHBondContact O-N 3.24Å; Q282-W286 PolarHBondContact O-N 3.45Å
283T85.6Confident86.3Confident8 Ų869.5 Ų69.55%0.04936%0.357CS..Hα-helixtrans-50.4-34.5178.7-62.50000113.4N65 L204 V208 P281 I285 W286 I287N65-T283 VanDerWaalsContact CG-OG1 3.26Å; N65-T283 PolarHBondContact ND2-OG1 2.75Å; N65-T283 WeakPolarHBondContact OD1-CG2 3.44Å; N65-T283 PolarHBondContact OD1-OG1 2.97Å; L204-T283 HydrophobicContact CD1-CG2 4.21Å; L204-T283 HydrophobicContact CG-CG2 4.26Å; V208-T283 HydrophobicContact CG2-CG2 3.99Å; P281-T283 PolarHBondContact O-N 2.8Å; P281-T283 VanDerWaalsContact O-N 3.07Å; T283-I285 VanDerWaalsContact C-N 3.27Å; T283-I285 PolarHBondContact O-N 2.88Å; T283-W286 PolarHBondContact O-N 3.47Å; T283-I287 HydrophobicContact CG2-CD1 3.42Å; T283-I287 VanDerWaalsContact CG2-CD1 3.42Å; T283-I287 HydrophobicContact CG2-CG1 4.17Å; T283-I287 WeakPolarHBondContact O-CG1 3.27Å; T283-I287 PolarHBondContact O-N 2.87Å; T283-I287 VanDerWaalsContact O-N 3.09Å
284W86Confident87.1Confident120 Ų12062.8 Ų62.846%0.45533%0.325SS..Hα-helixtrans-61.3-36177-78.268.2000112.6L205 P281 Q282 S288L205-W284 HydrophobicContact CB-CH2 4.39Å; L205-W284 HydrophobicContact CB-CZ2 3.75Å; L205-W284 HydrophobicContact CD1-CH2 4.39Å; L205-W284 HydrophobicContact CD2-CD2 3.79Å; L205-W284 HydrophobicContact CD2-CE3 4.24Å; L205-W284 HydrophobicContact CD2-CG 4.05Å; L205-W284 HydrophobicContact CD2-CZ2 4.21Å; L205-W284 HydrophobicContact CG-CZ2 4.36Å; L205-W284 PolarHBondContact O-NE1 2.95Å; L205-W284 VanDerWaalsContact O-NE1 3.17Å; P281-W284 PolarHBondContact O-N 3.24Å; Q282-W284 PolarHBondContact O-N 3.14Å; Q282-W284 VanDerWaalsContact O-N 3.09Å; W284-S288 WeakPolarHBondContact O-CB 3.43Å; W284-S288 PolarHBondContact O-N 2.84Å; W284-S288 PolarHBondContact O-OG 3.35Å
285I88.4Confident87.7Confident114 Ų11464.5 Ų64.559%0.58534%0.337SS*.Hα-helixtrans-68-41.5178.2-56.1173.2000110.3F280 Q282 T283F280-I285 HydrophobicContact CE1-CD1 4.16Å; F280-I285 HydrophobicContact CE1-CG1 4.39Å; Q282-I285 WeakPolarHBondContact O-CB 3.44Å; Q282-I285 PolarHBondContact O-N 3.24Å; T283-I285 VanDerWaalsContact C-N 3.27Å; T283-I285 PolarHBondContact O-N 2.88Å
286W89.9Confident88.2Confident92 Ų9261.9 Ų61.935%0.34834%0.336SS..Hα-helixtrans-67.2-38.6179.8-68.192000113N65 L66 S69 Q282 T283 P290N65-W286 HydrophobicContact CB-CB 4.35Å; N65-W286 HydrophobicContact CB-CD2 4.46Å; N65-W286 HydrophobicContact CB-CG 4.1Å; L66-W286 HydrophobicContact CB-CZ3 4.5Å; L66-W286 HydrophobicContact CD1-CZ3 4.04Å; S69-W286 VanDerWaalsContact CB-O 3.27Å; S69-W286 WeakPolarHBondContact CB-O 3.49Å; S69-W286 PolarHBondContact OG-O 2.91Å; Q282-W286 PolarHBondContact O-N 3.45Å; T283-W286 PolarHBondContact O-N 3.47Å; W286-P290 WeakPolarHBondContact O-CD 3.23Å
287I90.4Very high88.4Confident0 Ų061.2 Ų61.20%033%0.334CS..Hα-helixtrans-93.9-36.9-168.5-64.5179.6000112.5Y201 L204 T283 G289 P290 L291Y201-I287 HydrophobicContact CD1-CD1 4.36Å; Y201-I287 HydrophobicContact CD1-CG2 3.65Å; Y201-I287 HydrophobicContact CE1-CD1 4.33Å; Y201-I287 HydrophobicContact CE1-CG2 3.76Å; L204-I287 HydrophobicContact CD2-CD1 3.32Å; L204-I287 HydrophobicContact CG-CD1 3.83Å; T283-I287 HydrophobicContact CG2-CD1 3.42Å; T283-I287 VanDerWaalsContact CG2-CD1 3.42Å; T283-I287 HydrophobicContact CG2-CG1 4.17Å; T283-I287 WeakPolarHBondContact O-CG1 3.27Å; T283-I287 PolarHBondContact O-N 2.87Å; T283-I287 VanDerWaalsContact O-N 3.09Å; I287-G289 PolarHBondContact O-N 3.44Å; I287-P290 WeakPolarHBondContact O-CD 3.17Å; I287-L291 HydrophobicContact CG2-CB 4.2Å; I287-L291 HydrophobicContact CG2-CD2 4.24Å; I287-L291 WeakPolarHBondContact O-CB 3.35Å; I287-L291 PolarHBondContact O-N 3.28Å
288S88.9Confident88.6Confident57 Ų5760.7 Ų60.740%0.39933%0.327SS..Hα-helixtrans-56.1-47.2-172.353.90000113.1W284 L291 C292W284-S288 WeakPolarHBondContact O-CB 3.43Å; W284-S288 PolarHBondContact O-N 2.84Å; W284-S288 PolarHBondContact O-OG 3.35Å; S288-L291 PolarHBondContact O-N 3.49Å; S288-C292 VanDerWaalsContact O-CB 3.28Å; S288-C292 WeakPolarHBondContact O-CB 3.34Å; S288-C292 PolarHBondContact O-N 2.87Å; S288-C292 PolarHBondContact O-SG 3.04Å
289G91.4Very high88.9Confident43 Ų4364 Ų6444%0.44334%0.339SS..Hα-helixtrans-57.5-60.9179.800000113.6I287 L291 C292 L293I287-G289 PolarHBondContact O-N 3.44Å; G289-L291 VanDerWaalsContact C-N 3.32Å; G289-L291 PolarHBondContact O-N 2.84Å; G289-C292 PolarHBondContact O-N 2.91Å; G289-L293 WeakPolarHBondContact O-CB 3.28Å; G289-L293 PolarHBondContact O-N 3.45Å
290P92.1Very high89.4Confident19 Ų1967.7 Ų67.712%0.12335%0.352CS..Hα-helixtrans-61.8-35.7177.9-26.536000114.1S69 L73 W286 I287 L293 Y294S69-P290 VanDerWaalsContact O-CB 3.31Å; S69-P290 WeakPolarHBondContact O-CB 3.48Å; S69-P290 WeakPolarHBondContact OG-CG 3.27Å; L73-P290 HydrophobicContact CD2-CB 3.94Å; L73-P290 HydrophobicContact CG-CB 4.34Å; W286-P290 WeakPolarHBondContact O-CD 3.23Å; I287-P290 WeakPolarHBondContact O-CD 3.17Å; P290-L293 PolarHBondContact O-N 3.45Å; P290-Y294 WeakPolarHBondContact O-CB 3.24Å; P290-Y294 PolarHBondContact O-N 3.45Å
291L91.6Very high89.6Confident31 Ų3162.3 Ų62.316%0.16233%0.327CS..Hα-helixtrans-65.7-46.5177.4-176.462.7000111.1L72 I287 S288 G289 L293 Y294 C295L72-L291 HydrophobicContact CD1-CB 4.33Å; L72-L291 HydrophobicContact CD1-CD1 3.89Å; I287-L291 HydrophobicContact CG2-CB 4.2Å; I287-L291 HydrophobicContact CG2-CD2 4.24Å; I287-L291 WeakPolarHBondContact O-CB 3.35Å; I287-L291 PolarHBondContact O-N 3.28Å; S288-L291 PolarHBondContact O-N 3.49Å; G289-L291 VanDerWaalsContact C-N 3.32Å; G289-L291 PolarHBondContact O-N 2.84Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.25Å; L291-Y294 PolarHBondContact O-N 2.92Å; L291-C295 WeakPolarHBondContact O-CB 3.24Å; L291-C295 PolarHBondContact O-N 3.25Å; L291-C295 PolarHBondContact O-SG 3Å
292C92.6Very high89.8Confident85 Ų8564.4 Ų64.457%0.57434%0.342SS*.Hα-helixtrans-59.8-43.8174.6-73.80000111.6S288 G289 C295 A296S288-C292 VanDerWaalsContact O-CB 3.28Å; S288-C292 WeakPolarHBondContact O-CB 3.34Å; S288-C292 PolarHBondContact O-N 2.87Å; S288-C292 PolarHBondContact O-SG 3.04Å; G289-C292 PolarHBondContact O-N 2.91Å; C292-C295 PolarHBondContact O-N 2.82Å; C292-A296 WeakPolarHBondContact O-CB 3.4Å; C292-A296 PolarHBondContact O-N 2.63Å
293L93.3Very high90Very high74 Ų7464.3 Ų64.339%0.38734%0.344SS..Hα-helixtrans-61.9-43.7176.7179.560.9000112L73 L79 G289 P290 L291 A296 E297L73-L293 HydrophobicContact CD2-CD2 3.83Å; L79-L293 HydrophobicContact CD2-CD1 4.23Å; L79-L293 HydrophobicContact CD2-CD2 3.85Å; L79-L293 HydrophobicContact CD2-CG 4.29Å; G289-L293 WeakPolarHBondContact O-CB 3.28Å; G289-L293 PolarHBondContact O-N 3.45Å; P290-L293 PolarHBondContact O-N 3.45Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.25Å; L293-A296 PolarHBondContact O-N 3.17Å; L293-E297 WeakPolarHBondContact O-CB 3.31Å; L293-E297 PolarHBondContact O-N 3.47Å
294Y92.9Very high90Very high22 Ų2266.7 Ų66.79%0.08635%0.352CS..Hα-helixtrans-62.4-46.8175.8174.7-92.9000111.6L72 M75 F197 F198 P290 L291 A296 E297 R298L72-Y294 HydrophobicContact CB-CD2 4.34Å; L72-Y294 HydrophobicContact CB-CG 4.42Å; M75-Y294 HydrophobicContact CB-CE2 4.26Å; F197-Y294 AromaticContact CE2-CE1 3.95Å; F197-Y294 HydrophobicContact CE2-CE1 3.95Å; F197-Y294 AromaticContact CZ-CE1 3.78Å; F197-Y294 HydrophobicContact CZ-CE1 3.78Å; F197-Y294 AromaticContact CZ-CZ 3.84Å; F197-Y294 WeakPolarHBondContact CZ-OH 3.37Å; F198-Y294 HydrophobicContact CE1-CE1 4.36Å; F198-Y294 HydrophobicContact CZ-CE1 4.4Å; P290-Y294 WeakPolarHBondContact O-CB 3.24Å; P290-Y294 PolarHBondContact O-N 3.45Å; L291-Y294 PolarHBondContact O-N 2.92Å; Y294-A296 PolarHBondContact O-N 3.5Å; Y294-E297 PolarHBondContact O-N 2.88Å; Y294-R298 WeakPolarHBondContact O-CB 3.25Å; Y294-R298 PolarHBondContact O-N 2.96Å
295C91.8Very high89.8Confident60 Ų6062.3 Ų62.341%0.40534%0.34SS..Hα-helixtrans-61.9-42.4177.8-70.60000112L291 C292 R298 L299L291-C295 WeakPolarHBondContact O-CB 3.24Å; L291-C295 PolarHBondContact O-N 3.25Å; L291-C295 PolarHBondContact O-SG 3Å; C292-C295 PolarHBondContact O-N 2.82Å; C295-R298 PolarHBondContact O-N 2.99Å; C295-L299 WeakPolarHBondContact O-CB 3.37Å; C295-L299 PolarHBondContact O-N 3.5Å
296A92.9Very high89.6Confident59 Ų5962.5 Ų62.549%0.48834%0.342SS..Hα-helixtrans-63.3-43.417600000112C292 L293 Y294 L299 Y300C292-A296 WeakPolarHBondContact O-CB 3.4Å; C292-A296 PolarHBondContact O-N 2.63Å; L293-A296 PolarHBondContact O-N 3.17Å; Y294-A296 PolarHBondContact O-N 3.5Å; A296-L299 PolarHBondContact O-N 3.33Å; A296-Y300 WeakPolarHBondContact O-CB 3.31Å; A296-Y300 PolarHBondContact O-N 3.1Å
297E92.3Very high89.4Confident13 Ų1363.6 Ų63.66%0.06135%0.349CS..Hα-helixtrans-63.2-41.9175.8-166.8-84.2169.800111.8C76 R77 T78 L293 Y294 Y300 R301C76-E297 HydrophobicContact CB-CB 4.46Å; C76-E297 HydrophobicContact CB-CG 4.07Å; R77-E297 PolarHBondContact N-OE1 2.73Å; T78-E297 WeakPolarHBondContact CB-OE1 3.43Å; T78-E297 PolarHBondContact N-OE1 3.49Å; T78-E297 PolarHBondContact OG1-OE1 3.12Å; L293-E297 WeakPolarHBondContact O-CB 3.31Å; L293-E297 PolarHBondContact O-N 3.47Å; Y294-E297 PolarHBondContact O-N 2.88Å; E297-Y300 PolarHBondContact O-N 2.88Å; E297-R301 VanDerWaalsContact CD-CD 3.44Å; E297-R301 WeakPolarHBondContact O-CG 3.28Å; E297-R301 PolarHBondContact O-N 3.01Å; E297-R301 WeakPolarHBondContact OE1-CD 3.48Å; E297-R301 WeakPolarHBondContact OE2-CD 3.4Å; E297-R301 IonicContact OE2-NH1 3.19Å
298R89Confident89.4Confident96 Ų9667 Ų6736%0.36237%0.372SS..Hα-helixtrans-64.9-43.1178.2-171.566.1171.4176.2-2.2111.6Y294 C295 R301 C302Y294-R298 WeakPolarHBondContact O-CB 3.25Å; Y294-R298 PolarHBondContact O-N 2.96Å; C295-R298 PolarHBondContact O-N 2.99Å; R298-R301 PolarHBondContact O-N 3.11Å; R298-C302 PolarHBondContact O-N 3.14Å
299L90.4Very high89.5Confident109 Ų10964.7 Ų64.757%0.57136%0.355SS*.Hα-helixtrans-63.1-46.7175.5-179.860.7000110.9C295 A296 R301 C302 I303C295-L299 WeakPolarHBondContact O-CB 3.37Å; C295-L299 PolarHBondContact O-N 3.5Å; A296-L299 PolarHBondContact O-N 3.33Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 3.05Å; L299-C302 WeakPolarHBondContact O-CB 3.33Å; L299-C302 PolarHBondContact O-N 2.93Å; L299-I303 HydrophobicContact CD1-CD1 4.14Å; L299-I303 HydrophobicContact CD1-CG1 4.4Å; L299-I303 HydrophobicContact CG-CD1 3.96Å; L299-I303 WeakPolarHBondContact O-CG1 3.45Å; L299-I303 PolarHBondContact O-N 3.35Å
300Y90.3Very high89.5Confident126 Ų12667 Ų6749%0.49436%0.36SS..Hα-helixtrans-56.7-45.1175.8175.5-96000112.1T78 A296 E297 I303 R304T78-Y300 HydrophobicContact CG2-CD1 3.96Å; T78-Y300 HydrophobicContact CG2-CE1 3.7Å; A296-Y300 WeakPolarHBondContact O-CB 3.31Å; A296-Y300 PolarHBondContact O-N 3.1Å; E297-Y300 PolarHBondContact O-N 2.88Å; Y300-I303 PolarHBondContact O-N 3.46Å; Y300-R304 WeakPolarHBondContact O-CB 3.41Å; Y300-R304 PolarHBondContact O-N 3Å
301R87.5Confident89.4Confident29 Ų2966.8 Ų66.811%0.10936%0.358CS..Hα-helixtrans-61.2-45.1176-79.6177.856.2-152.52112.3T78 E297 R298 L299 I303 R304 S305 D410T78-R301 WeakPolarHBondContact OG1-CD 3.39Å; T78-R301 VanDerWaalsContact OG1-CG 3.28Å; T78-R301 WeakPolarHBondContact OG1-CG 3.46Å; E297-R301 VanDerWaalsContact CD-CD 3.44Å; E297-R301 WeakPolarHBondContact O-CG 3.28Å; E297-R301 PolarHBondContact O-N 3.01Å; E297-R301 WeakPolarHBondContact OE1-CD 3.48Å; E297-R301 WeakPolarHBondContact OE2-CD 3.4Å; E297-R301 IonicContact OE2-NH1 3.19Å; R298-R301 PolarHBondContact O-N 3.11Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 3.05Å; R301-I303 VanDerWaalsContact C-N 3.33Å; R301-I303 PolarHBondContact O-N 3.34Å; R301-R304 PolarHBondContact O-N 3.46Å; R301-S305 WeakPolarHBondContact O-CB 3.27Å; R301-S305 PolarHBondContact O-N 3.3Å; R301-S305 PolarHBondContact O-OG 3.2Å; R301-D410 IonicContact CZ-OD2 3.85Å; R301-D410 IonicContact NE-OD1 3.69Å; R301-D410 IonicContact NE-OD2 2.78Å; R301-D410 PolarHBondContact NE-OD2 2.87Å; R301-D410 IonicContact NH2-OD2 2.72Å; R301-D410 PolarHBondContact NH2-OD2 3.45Å
302C85.8Confident89.3Confident79 Ų7969.3 Ų69.353%0.53437%0.371SS..Hα-helixtrans-59.6-44.6178.6-166.10000111.4R298 L299 R304 S305 N306R298-C302 PolarHBondContact O-N 3.14Å; L299-C302 WeakPolarHBondContact O-CB 3.33Å; L299-C302 PolarHBondContact O-N 2.93Å; C302-R304 PolarHBondContact O-N 2.92Å; C302-S305 PolarHBondContact O-N 3.49Å; C302-S305 PolarHBondContact O-OG 2.94Å; C302-N306 WeakPolarHBondContact O-CB 3.45Å; C302-N306 PolarHBondContact O-N 3.3Å; C302-N306 VanDerWaalsContact O-N 3.13Å
303I87.1Confident89.2Confident115 Ų11566.6 Ų66.659%0.5935%0.353SS*.Hα-helixtrans-62.4-44.1176.9-65.5165.6000110.6L299 Y300 R301L299-I303 HydrophobicContact CD1-CD1 4.14Å; L299-I303 HydrophobicContact CD1-CG1 4.4Å; L299-I303 HydrophobicContact CG-CD1 3.96Å; L299-I303 WeakPolarHBondContact O-CG1 3.45Å; L299-I303 PolarHBondContact O-N 3.35Å; Y300-I303 PolarHBondContact O-N 3.46Å; R301-I303 VanDerWaalsContact C-N 3.33Å; R301-I303 PolarHBondContact O-N 3.34Å
304R84.9Confident89Confident58 Ų5863.8 Ų63.822%0.21934%0.339CS..Hα-helixtrans-68.9-34.8-179.6-175-179.367.8165.8-1113.5Y300 R301 C302 K328 D410 G411Y300-R304 WeakPolarHBondContact O-CB 3.41Å; Y300-R304 PolarHBondContact O-N 3Å; R301-R304 PolarHBondContact O-N 3.46Å; C302-R304 PolarHBondContact O-N 2.92Å; R304-K328 PolarHBondContact O-NZ 2.94Å; R304-K328 VanDerWaalsContact O-NZ 3.12Å; R304-D410 IonicContact CZ-OD1 2.73Å; R304-D410 IonicContact NE-OD1 2.9Å; R304-D410 IonicContact NH2-OD1 3.71Å; R304-D410 PolarHBondContact NH2-OD1 3.41Å; R304-G411 PolarHBondContact NH1-O 2.85Å
305S83.4Confident88.8Confident28 Ų2865.5 Ų65.520%0.19635%0.349CS..Hα-helixtrans-84.9-13-178.7650000113.3R301 C302 K307 Y408R301-S305 WeakPolarHBondContact O-CB 3.27Å; R301-S305 PolarHBondContact O-N 3.3Å; R301-S305 PolarHBondContact O-OG 3.2Å; C302-S305 PolarHBondContact O-N 3.49Å; C302-S305 PolarHBondContact O-OG 2.94Å; S305-K307 PolarHBondContact O-N 2.97Å; S305-Y408 WeakPolarHBondContact O-CD1 3.43Å
306N83.1Confident88.7Confident118 Ų11867.3 Ų67.363%0.63136%0.355SS*.  trans-68.1-18.3-174.7-161.319.1000114.4C302 Y408C302-N306 WeakPolarHBondContact O-CB 3.45Å; C302-N306 PolarHBondContact O-N 3.3Å; C302-N306 VanDerWaalsContact O-N 3.13Å; N306-Y408 WeakPolarHBondContact O-CE1 3.42Å
307K86.3Confident88.4Confident115 Ų11566.1 Ų66.150%0.534%0.339SS..SBendtrans-80.7124.1174.5-72.9-169.4169.4-166.80110.5S305 E329S305-K307 PolarHBondContact O-N 2.97Å; K307-E329 IonicContact NZ-OE2 3.83Å; K307-E329 PolarHBondContact NZ-OE2 2.83Å
308P89.9Confident88Confident72 Ų7268 Ų6847%0.46835%0.352SS..EExtended strand (participates in β ladder)trans-67.9158.117630.7-35000111L407 Y408P308-L407 CarbonylContact C-O 3.53Å; P308-L407 VanDerWaalsContact CA-O 3.3Å; P308-L407 WeakPolarHBondContact CA-O 3.14Å; P308-Y408 HydrophobicContact CB-CD1 4.43Å; P308-Y408 HydrophobicContact CB-CE1 4.02Å
309V91.6Very high87.7Confident8 Ų864.1 Ų64.15%0.04834%0.34CS..EExtended strand (participates in β ladder)trans-107.3139.3-180-179.70000109.6M326 V327 K328 F367 L407 I409V309-M326 HydrophobicContact CG1-CB 3.62Å; V309-M326 HydrophobicContact CG1-CG 3.98Å; V309-M326 HydrophobicContact CG1-SD 4.07Å; V309-V327 WeakPolarHBondContact CG1-O 3.32Å; V309-K328 HydrophobicContact CG1-CB 4.38Å; V309-K328 HydrophobicContact CG2-CB 4.14Å; V309-K328 HydrophobicContact CG2-CD 3.83Å; V309-K328 HydrophobicContact CG2-CG 4.13Å; V309-F367 HydrophobicContact CG1-CZ 3.93Å; V309-L407 PolarHBondContact N-O 3.38Å; V309-I409 HydrophobicContact CB-CD1 4.01Å; V309-I409 HydrophobicContact CB-CG1 4.34Å; V309-I409 HydrophobicContact CG1-CD1 3.84Å; V309-I409 HydrophobicContact CG2-CB 3.94Å; V309-I409 HydrophobicContact CG2-CD1 3.64Å; V309-I409 HydrophobicContact CG2-CG1 3.68Å
310T90.7Very high87.5Confident91 Ų9163.4 Ų63.456%0.55834%0.336SS*.EExtended strand (participates in β ladder)trans-89.4123.2179.5-530000109.7M326 V327T310-M326 WeakPolarHBondContact O-CA 2.96Å; T310-V327 PolarHBondContact N-O 3.16Å; T310-V327 VanDerWaalsContact N-O 3.16Å; T310-V327 PolarHBondContact O-N 2.91Å
311I91.2Very high87.5Confident15 Ų1557.6 Ų57.68%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-79.8126.1173.1-56.1-177.4000108.6V314 L324 L385 Y404 L407I311-V314 HydrophobicContact CG2-CG2 3.88Å; I311-L324 HydrophobicContact CB-CD1 4.43Å; I311-L324 HydrophobicContact CD1-CD1 3.96Å; I311-L324 HydrophobicContact CG1-CD1 4.12Å; I311-L324 HydrophobicContact CG2-CD1 3.56Å; I311-L385 HydrophobicContact CD1-CD2 3.79Å; I311-Y404 HydrophobicContact CB-CD1 4.5Å; I311-Y404 HydrophobicContact CB-CD2 3.74Å; I311-Y404 HydrophobicContact CB-CE2 4.36Å; I311-Y404 HydrophobicContact CB-CG 3.82Å; I311-Y404 HydrophobicContact CD1-CD1 4.25Å; I311-Y404 HydrophobicContact CD1-CG 4.02Å; I311-Y404 HydrophobicContact CG1-CG 4.43Å; I311-Y404 HydrophobicContact CG2-CD1 4.17Å; I311-Y404 HydrophobicContact CG2-CD2 3.82Å; I311-Y404 HydrophobicContact CG2-CE1 4.32Å; I311-Y404 HydrophobicContact CG2-CE2 3.97Å; I311-Y404 HydrophobicContact CG2-CG 3.93Å; I311-L407 HydrophobicContact CD1-CD1 3.34Å; I311-L407 HydrophobicContact CD1-CG 3.99Å; I311-L407 HydrophobicContact CG1-CD1 3.77Å; I311-L407 HydrophobicContact CG1-CG 4.47Å
312I89.1Confident87.6Confident83 Ų8356.2 Ų56.243%0.42631%0.309SS..EExtended strand (participates in β ladder)trans-93.1-50.4178-63.7170.6000109.8R325 V327 T366I312-R325 HydrophobicContact CB-CB 4.5Å; I312-R325 PolarHBondContact N-O 3.31Å; I312-V327 HydrophobicContact CD1-CB 3.86Å; I312-V327 HydrophobicContact CD1-CG1 3.95Å; I312-V327 HydrophobicContact CG1-CG1 4.17Å; I312-T366 HydrophobicContact CD1-CG2 3.38Å
313S89Confident87.9Confident29 Ų2953 Ų5320%0.20329%0.286CS..EExtended strand (participates in β ladder)trans-151.9149.5-178.671.10000111.8R325S313-R325 PolarHBondContact N-O 3.22Å; S313-R325 PolarHBondContact O-N 3.46Å; S313-R325 WeakPolarHBondContact OG-CD 3.31Å
314V90Very high88.2Confident15 Ų1547.5 Ų47.59%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-123127.8172.5-177.20000107.4I311 M322 E323 L324 L385 L386 Y404I311-V314 HydrophobicContact CG2-CG2 3.88Å; V314-M322 HydrophobicContact CG1-CE 3.35Å; V314-E323 WeakPolarHBondContact CA-O 3.39Å; V314-L324 HydrophobicContact CG2-CD1 3.83Å; V314-L385 HydrophobicContact CG1-CB 4.13Å; V314-L385 HydrophobicContact CG1-CD1 4.25Å; V314-L385 HydrophobicContact CG2-CB 4.35Å; V314-L385 HydrophobicContact CG2-CD1 4.44Å; V314-L385 HydrophobicContact CG2-CD2 4.13Å; V314-L386 HydrophobicContact CG1-CD1 4.48Å; V314-L386 HydrophobicContact CG1-CD2 4.37Å; V314-L386 HydrophobicContact CG1-CG 4.22Å; V314-Y404 HydrophobicContact CB-CE1 4.47Å; V314-Y404 HydrophobicContact CG2-CD1 4.28Å; V314-Y404 HydrophobicContact CG2-CE1 3.62Å
315I89.2Confident88.6Confident58 Ų5848.9 Ų48.930%0.29726%0.263SS..EExtended strand (participates in β ladder)trans-124.5128.4-179.8-57.1166.2000107.8E323I315-E323 HydrophobicContact CB-CB 4.17Å; I315-E323 PolarHBondContact N-O 2.91Å; I315-E323 PolarHBondContact O-N 2.88Å
316N88.7Confident89.1Confident98 Ų9847.5 Ų47.552%0.52425%0.254SS..EExtended strand (participates in β ladder)trans-91127.2172.8-170.721.1000109.4M322 L386N316-M322 HydrophobicContact CB-SD 3.95Å; N316-L386 HydrophobicContact CB-CD1 3.83Å
317H87.4Confident89.5Confident33 Ų3344 Ų4415%0.15324%0.236CC..EExtended strand (participates in β ladder)trans-110.4156.7178.9-71.2-74000110.9V321 E323 H370 W471H317-V321 WeakPolarHBondContact CA-O 3.47Å; H317-V321 HydrophobicContact CB-CB 4.07Å; H317-V321 HydrophobicContact CB-CG1 4.47Å; H317-V321 VanDerWaalsContact CB-O 3.29Å; H317-V321 WeakPolarHBondContact CB-O 3.26Å; H317-V321 PolarHBondContact N-O 3.44Å; H317-V321 PolarHBondContact O-N 3.31Å; H317-E323 IonicContact CD2-OE2 2.79Å; H317-E323 IonicContact CE1-OE2 3.28Å; H317-E323 IonicContact NE2-OE2 2.63Å; H317-E323 PolarHBondContact NE2-OE2 2.9Å; H317-H370 AromaticContact NE2-NE2 3.99Å; H317-W471 HydrophobicContact CB-CB 3.73Å; H317-W471 HydrophobicContact CB-CG 4.33Å; H317-W471 VanDerWaalsContact CG-CB 3.49Å; H317-W471 VanDerWaalsContact ND1-CB 3.29Å; H317-W471 WeakPolarHBondContact ND1-CB 3.4Å
318P83.8Confident89.6Confident52 Ų5239.8 Ų39.834%0.33822%0.218SC..THydrogen-bonded Turntrans-54.9152.6173.8-25.335.5000112.8R467 Q470P318-R467 HydrophobicContact CB-CB 4.25Å; P318-Q470 VanDerWaalsContact CB-OE1 3.32Å; P318-Q470 HydrophobicContact CG-CB 4.39Å
319S81.8Confident89.4Confident16 Ų1642.9 Ų42.911%0.11223%0.226CC..THydrogen-bonded Turntrans68.931.9-176.3-42.40000115.1V321 K372 S468S319-V321 VanDerWaalsContact C-N 3.31Å; S319-V321 PolarHBondContact O-N 3.35Å; S319-K372 WeakPolarHBondContact O-CE 3.28Å; S319-S468 PolarHBondContact OG-N 3.5Å; S319-S468 PolarHBondContact OG-OG 3.13Å; S319-S468 VanDerWaalsContact OG-OG 3.11Å
320D87.1Confident89.1Confident93 Ų9350.1 Ų50.150%0.49727%0.265SS..THydrogen-bonded Turntrans56.941.8177.6-52.4-52.3000113.1K372 V373D320-K372 CarbonylContact O-C 3.58Å; D320-K372 WeakPolarHBondContact O-CA 3.29Å; D320-K372 WeakPolarHBondContact O-CG 3.06Å; D320-V373 HydrophobicContact CB-CB 4.15Å; D320-V373 PolarHBondContact O-N 2.85Å
321V89.6Confident88.9Confident4 Ų446.8 Ų46.82%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-104128.2176.7178.70000108.5H317 S319 H370 F371 K372 I433H317-V321 WeakPolarHBondContact CA-O 3.47Å; H317-V321 HydrophobicContact CB-CB 4.07Å; H317-V321 HydrophobicContact CB-CG1 4.47Å; H317-V321 VanDerWaalsContact CB-O 3.29Å; H317-V321 WeakPolarHBondContact CB-O 3.26Å; H317-V321 PolarHBondContact N-O 3.44Å; H317-V321 PolarHBondContact O-N 3.31Å; S319-V321 VanDerWaalsContact C-N 3.31Å; S319-V321 PolarHBondContact O-N 3.35Å; V321-H370 HydrophobicContact CG1-CB 4.32Å; V321-F371 WeakPolarHBondContact CA-O 3.31Å; V321-K372 HydrophobicContact CG2-CB 4.46Å; V321-K372 HydrophobicContact CG2-CG 4.28Å; V321-I433 HydrophobicContact CG1-CD1 4.06Å; V321-I433 HydrophobicContact CG2-CD1 4.02Å
322M90.8Very high88.7Confident0 Ų054.9 Ų54.90%028%0.277CS..EExtended strand (participates in β ladder)trans-108.8130.7178.6-69.1-69.1-72.900109.4V314 N316 H370 F371 V373 R382 L385 L386V314-M322 HydrophobicContact CG1-CE 3.35Å; N316-M322 HydrophobicContact CB-SD 3.95Å; M322-H370 VanDerWaalsContact O-CA 3.27Å; M322-H370 WeakPolarHBondContact O-CA 3.31Å; M322-F371 HydrophobicContact CB-CD1 4.03Å; M322-F371 HydrophobicContact CB-CD2 4.25Å; M322-F371 HydrophobicContact CB-CE1 3.53Å; M322-F371 HydrophobicContact CB-CE2 3.78Å; M322-F371 HydrophobicContact CB-CG 4.37Å; M322-F371 HydrophobicContact CB-CZ 3.39Å; M322-F371 HydrophobicContact CG-CE1 4.5Å; M322-F371 HydrophobicContact CG-CE2 4Å; M322-F371 HydrophobicContact CG-CZ 3.88Å; M322-F371 PolarHBondContact N-O 3.22Å; M322-F371 PolarHBondContact O-N 3.3Å; M322-V373 HydrophobicContact CG-CG2 3.95Å; M322-R382 HydrophobicContact CE-CG 4.35Å; M322-R382 HydrophobicContact SD-CG 4.3Å; M322-L385 HydrophobicContact CE-CB 4.37Å; M322-L385 HydrophobicContact CE-CD1 4.36Å; M322-L386 HydrophobicContact CE-CD1 3.49Å; M322-L386 VanDerWaalsContact CE-CD1 3.49Å; M322-L386 HydrophobicContact CE-CG 3.87Å; M322-L386 HydrophobicContact SD-CD1 3.91Å
323E91.8Very high88.7Confident11 Ų1151.7 Ų51.75%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-102.7125.9170.6173.8-178.2176.800109.5V314 I315 H317 R325 H370V314-E323 WeakPolarHBondContact CA-O 3.39Å; I315-E323 HydrophobicContact CB-CB 4.17Å; I315-E323 PolarHBondContact N-O 2.91Å; I315-E323 PolarHBondContact O-N 2.88Å; H317-E323 IonicContact CD2-OE2 2.79Å; H317-E323 IonicContact CE1-OE2 3.28Å; H317-E323 IonicContact NE2-OE2 2.63Å; H317-E323 PolarHBondContact NE2-OE2 2.9Å; E323-R325 HydrophobicContact CG-CG 4.42Å; E323-R325 IonicContact OE1-CZ 2.78Å; E323-R325 IonicContact OE1-NE 3.71Å; E323-R325 PolarHBondContact OE1-NE 3Å; E323-R325 IonicContact OE1-NH2 3.85Å; E323-R325 PolarHBondContact OE1-NH2 3.46Å; E323-R325 IonicContact OE2-NH2 3.44Å; E323-H370 VanDerWaalsContact CG-CE1 3.46Å; E323-H370 WeakPolarHBondContact CG-CE1 3.16Å; E323-H370 IonicContact OE2-NE2 3.92Å
324L92.8Very high88.6Confident0 Ų055.9 Ų55.90%027%0.274CS..EExtended strand (participates in β ladder)trans-119.1117.6179.4177.765.7000109.6I311 V314 M326 L341 G368 V369 F381 L407I311-L324 HydrophobicContact CB-CD1 4.43Å; I311-L324 HydrophobicContact CD1-CD1 3.96Å; I311-L324 HydrophobicContact CG1-CD1 4.12Å; I311-L324 HydrophobicContact CG2-CD1 3.56Å; V314-L324 HydrophobicContact CG2-CD1 3.83Å; L324-M326 HydrophobicContact CD1-CG 4.37Å; L324-M326 HydrophobicContact CD2-CE 3.78Å; L324-M326 HydrophobicContact CD2-CG 4.28Å; L324-M326 HydrophobicContact CD2-SD 3.56Å; L324-M326 VanDerWaalsContact CD2-SD 3.56Å; L324-M326 HydrophobicContact CG-CE 3.93Å; L324-M326 HydrophobicContact CG-CG 3.92Å; L324-M326 HydrophobicContact CG-SD 3.85Å; L324-L341 HydrophobicContact CD2-CD1 3.97Å; L324-G368 CarbonylContact O-C 3.57Å; L324-G368 WeakPolarHBondContact O-CA 3.26Å; L324-V369 HydrophobicContact CB-CG2 3.88Å; L324-V369 HydrophobicContact CD2-CG2 4.13Å; L324-V369 HydrophobicContact CG-CG2 4.41Å; L324-V369 PolarHBondContact N-O 2.97Å; L324-V369 PolarHBondContact O-N 3.26Å; L324-F381 HydrophobicContact CD2-CE1 4.35Å; L324-F381 HydrophobicContact CD2-CZ 4.08Å; L324-L407 HydrophobicContact CD2-CD1 3.86Å
325R92.7Very high88.5Confident87 Ų8756.2 Ų56.233%0.32828%0.277SS..EExtended strand (participates in β ladder)trans-104.2132.8176-60.5-169.6-174.5163.82.9111I312 S313 E323I312-R325 HydrophobicContact CB-CB 4.5Å; I312-R325 PolarHBondContact N-O 3.31Å; S313-R325 PolarHBondContact N-O 3.22Å; S313-R325 PolarHBondContact O-N 3.46Å; S313-R325 WeakPolarHBondContact OG-CD 3.31Å; E323-R325 HydrophobicContact CG-CG 4.42Å; E323-R325 IonicContact OE1-CZ 2.78Å; E323-R325 IonicContact OE1-NE 3.71Å; E323-R325 PolarHBondContact OE1-NE 3Å; E323-R325 IonicContact OE1-NH2 3.85Å; E323-R325 PolarHBondContact OE1-NH2 3.46Å; E323-R325 IonicContact OE2-NH2 3.44Å
326M93.6Very high88.4Confident0 Ų053.4 Ų53.40%026%0.263CS..EExtended strand (participates in β ladder)trans-140.4157.1-167.2-71.9175.4-6900111.7V309 T310 L324 I339 T366 F367 V369 L407 I409V309-M326 HydrophobicContact CG1-CB 3.62Å; V309-M326 HydrophobicContact CG1-CG 3.98Å; V309-M326 HydrophobicContact CG1-SD 4.07Å; T310-M326 WeakPolarHBondContact O-CA 2.96Å; L324-M326 HydrophobicContact CD1-CG 4.37Å; L324-M326 HydrophobicContact CD2-CE 3.78Å; L324-M326 HydrophobicContact CD2-CG 4.28Å; L324-M326 HydrophobicContact CD2-SD 3.56Å; L324-M326 VanDerWaalsContact CD2-SD 3.56Å; L324-M326 HydrophobicContact CG-CE 3.93Å; L324-M326 HydrophobicContact CG-CG 3.92Å; L324-M326 HydrophobicContact CG-SD 3.85Å; M326-I339 HydrophobicContact CE-CD1 4.36Å; M326-T366 WeakPolarHBondContact O-CA 3.24Å; M326-F367 HydrophobicContact CB-CD2 4.29Å; M326-F367 HydrophobicContact CB-CE1 4.23Å; M326-F367 HydrophobicContact CB-CE2 3.79Å; M326-F367 HydrophobicContact CB-CZ 3.76Å; M326-F367 HydrophobicContact CE-CD2 4.21Å; M326-F367 HydrophobicContact CE-CE2 3.76Å; M326-F367 PolarHBondContact N-O 3.37Å; M326-F367 WeakPolarHBondContact O-CD1 3.43Å; M326-F367 PolarHBondContact O-N 3.21Å; M326-F367 HydrophobicContact SD-CE2 4.37Å; M326-V369 HydrophobicContact CE-CG1 4.23Å; M326-V369 HydrophobicContact CE-CG2 3.82Å; M326-L407 HydrophobicContact SD-CD1 4.27Å; M326-I409 HydrophobicContact CE-CD1 3.96Å; M326-I409 HydrophobicContact SD-CD1 3.57Å; M326-I409 VanDerWaalsContact SD-CD1 3.57Å
327V92.3Very high88.5Confident44 Ų4449.3 Ų49.327%0.26724%0.24SC..EExtended strand (participates in β ladder)trans-133.8139.1170.466.10000111V309 T310 I312 A365V309-V327 WeakPolarHBondContact CG1-O 3.32Å; T310-V327 PolarHBondContact N-O 3.16Å; T310-V327 VanDerWaalsContact N-O 3.16Å; T310-V327 PolarHBondContact O-N 2.91Å; I312-V327 HydrophobicContact CD1-CB 3.86Å; I312-V327 HydrophobicContact CD1-CG1 3.95Å; I312-V327 HydrophobicContact CG1-CG1 4.17Å; V327-A365 HydrophobicContact CG2-CB 3.99Å
328K89.4Confident88.6Confident27 Ų2749.4 Ų49.412%0.11724%0.239CC..  trans-141.2133.7178.9-175179-173.8172.40109R304 V309 F331 F367 I409R304-K328 PolarHBondContact O-NZ 2.94Å; R304-K328 VanDerWaalsContact O-NZ 3.12Å; V309-K328 HydrophobicContact CG1-CB 4.38Å; V309-K328 HydrophobicContact CG2-CB 4.14Å; V309-K328 HydrophobicContact CG2-CD 3.83Å; V309-K328 HydrophobicContact CG2-CG 4.13Å; K328-F331 HydrophobicContact CB-CB 3.87Å; K328-F331 HydrophobicContact CB-CG 4.41Å; K328-F331 HydrophobicContact CD-CB 4.39Å; K328-F331 HydrophobicContact CD-CD2 4.21Å; K328-F331 HydrophobicContact CG-CB 4.23Å; K328-F331 WeakPolarHBondContact O-CB 3.33Å; K328-F331 PolarHBondContact O-N 3.38Å; K328-F367 HydrophobicContact CB-CE1 3.79Å; K328-F367 HydrophobicContact CB-CZ 4.13Å; K328-I409 PolarHBondContact NZ-O 3.38Å
329E85.9Confident89Confident136 Ų13646.9 Ų46.964%0.63622%0.223SC*.THydrogen-bonded Turntrans-57.9138176-63.6179.3163.100111.5K307 F331K307-E329 IonicContact NZ-OE2 3.83Å; K307-E329 PolarHBondContact NZ-OE2 2.83Å; E329-F331 PolarHBondContact O-N 2.61Å
330N83.5Confident89.4Confident161 Ų16146.6 Ų46.686%0.86122%0.22SC*.THydrogen-bonded Turntrans54.823.5176.6-62-34.1000114.9K332N330-K332 PolarHBondContact O-N 2.85Å
331F87.1Confident89.6Confident21 Ų2142.2 Ų42.29%0.09220%0.197CC..  trans-86.5111.7177.4-172.4-104.8000110.6K328 E329 A333 I339 L356 P360 F367 P412K328-F331 HydrophobicContact CB-CB 3.87Å; K328-F331 HydrophobicContact CB-CG 4.41Å; K328-F331 HydrophobicContact CD-CB 4.39Å; K328-F331 HydrophobicContact CD-CD2 4.21Å; K328-F331 HydrophobicContact CG-CB 4.23Å; K328-F331 WeakPolarHBondContact O-CB 3.33Å; K328-F331 PolarHBondContact O-N 3.38Å; E329-F331 PolarHBondContact O-N 2.61Å; F331-A333 HydrophobicContact CE1-CB 3.75Å; F331-A333 HydrophobicContact CZ-CB 4.05Å; F331-I339 HydrophobicContact CE2-CG2 4.38Å; F331-I339 HydrophobicContact CZ-CG2 3.78Å; F331-L356 HydrophobicContact CE1-CD1 4.43Å; F331-L356 HydrophobicContact CZ-CD1 4.39Å; F331-P360 HydrophobicContact CD1-CG 4.11Å; F331-P360 VanDerWaalsContact O-CG 3.31Å; F331-P360 WeakPolarHBondContact O-CG 3.14Å; F331-F367 AromaticContact CD1-CD1 3.5Å; F331-F367 HydrophobicContact CD1-CD1 3.5Å; F331-F367 HydrophobicContact CD1-CD2 4.46Å; F331-F367 AromaticContact CD1-CE1 3.6Å; F331-F367 HydrophobicContact CD1-CE1 3.6Å; F331-F367 AromaticContact CD1-CG 3.96Å; F331-F367 HydrophobicContact CD1-CG 3.96Å; F331-F367 HydrophobicContact CD1-CZ 4.13Å; F331-F367 HydrophobicContact CE1-CB 4.4Å; F331-F367 AromaticContact CE1-CD1 3.85Å; F331-F367 HydrophobicContact CE1-CD1 3.85Å; F331-F367 AromaticContact CE1-CD2 3.99Å; F331-F367 HydrophobicContact CE1-CD2 3.99Å; F331-F367 HydrophobicContact CE1-CE1 4.05Å; F331-F367 HydrophobicContact CE1-CE2 4.18Å; F331-F367 AromaticContact CE1-CG 3.82Å; F331-F367 HydrophobicContact CE1-CG 3.82Å; F331-F367 HydrophobicContact CE1-CZ 4.21Å; F331-F367 HydrophobicContact CG-CD1 4.45Å; F331-F367 HydrophobicContact CG-CE1 4.15Å; F331-P412 HydrophobicContact CZ-CB 4.3Å
332K87.6Confident89.6Confident185 Ų18543.7 Ų43.780%0.80420%0.203SC*.  trans-112127.7174-63.4-175.7179.7-174.80108.7N330 P412N330-K332 PolarHBondContact O-N 2.85Å; K332-P412 VanDerWaalsContact O-CG 3.32Å; K332-P412 WeakPolarHBondContact O-CG 3.3Å
333A88Confident89.6Confident15 Ų1543.7 Ų43.712%0.12420%0.203CC..  trans-137.2153.9178.200000111.5F331 L356 P360 P412F331-A333 HydrophobicContact CE1-CB 3.75Å; F331-A333 HydrophobicContact CZ-CB 4.05Å; A333-L356 HydrophobicContact CB-CD1 3.42Å; A333-L356 VanDerWaalsContact CB-CD1 3.42Å; A333-P360 HydrophobicContact CB-CG 4.48Å; A333-P412 HydrophobicContact CB-CB 4.08Å; A333-P412 HydrophobicContact CB-CG 4.21Å
334R88Confident89.4Confident117 Ų11745.9 Ų45.944%0.44222%0.218SC..  trans-108.9156.3177.7-65-169.8-65-109.6-1.6111.6Q337 C359 E418R334-Q337 HydrophobicContact CB-CG 4.15Å; R334-Q337 VanDerWaalsContact O-CB 3.26Å; R334-Q337 WeakPolarHBondContact O-CB 3.31Å; R334-Q337 VanDerWaalsContact O-CG 3.28Å; R334-Q337 WeakPolarHBondContact O-CG 3.4Å; R334-Q337 PolarHBondContact O-N 2.67Å; R334-C359 VanDerWaalsContact C-SG 3.52Å; R334-C359 PolarHBondContact O-SG 3.28Å; R334-E418 IonicContact CZ-OE2 2.72Å; R334-E418 VanDerWaalsContact CZ-OE2 3.24Å; R334-E418 IonicContact NE-OE2 3.62Å; R334-E418 PolarHBondContact NE-OE2 3.32Å; R334-E418 IonicContact NH2-OE1 3.95Å; R334-E418 IonicContact NH2-OE2 3.78Å; R334-E418 PolarHBondContact NH2-OE2 3.13Å
335P88.4Confident89.2Confident22 Ų2249.4 Ų49.414%0.14324%0.243CC..THydrogen-bonded Turntrans-60140.4177.4-2335.5000112Q337 E418 I441 T444P335-Q337 VanDerWaalsContact C-N 3.28Å; P335-Q337 PolarHBondContact O-N 2.72Å; P335-E418 WeakPolarHBondContact O-CG 3.21Å; P335-I441 HydrophobicContact CB-CG1 4.4Å; P335-T444 HydrophobicContact CG-CG2 3.97Å; P335-T444 WeakPolarHBondContact CG-OG1 3.41Å
336G86.5Confident88.8Confident0 Ų046 Ų460%023%0.232CC..THydrogen-bonded Turntrans83.1-8.6-175.200000114.7S415 S440G336-S415 WeakPolarHBondContact O-CB 3.32Å; G336-S415 PolarHBondContact O-OG 2.88Å; G336-S440 PolarHBondContact N-OG 3.07Å
337Q89.9Confident88.3Confident11 Ų1147 Ų475%0.05124%0.239CC..  trans-73.2158.6176.3-65.7-169.3-39.100112.5R334 P335 T355 L356 P412 F413 E418R334-Q337 HydrophobicContact CB-CG 4.15Å; R334-Q337 VanDerWaalsContact O-CB 3.26Å; R334-Q337 WeakPolarHBondContact O-CB 3.31Å; R334-Q337 VanDerWaalsContact O-CG 3.28Å; R334-Q337 WeakPolarHBondContact O-CG 3.4Å; R334-Q337 PolarHBondContact O-N 2.67Å; P335-Q337 VanDerWaalsContact C-N 3.28Å; P335-Q337 PolarHBondContact O-N 2.72Å; Q337-T355 WeakPolarHBondContact O-CG2 2.92Å; Q337-L356 HydrophobicContact CB-CD1 4.27Å; Q337-L356 WeakPolarHBondContact O-CB 3.23Å; Q337-L356 PolarHBondContact O-N 3.39Å; Q337-P412 HydrophobicContact CB-CB 4.17Å; Q337-P412 VanDerWaalsContact OE1-CB 3.29Å; Q337-F413 WeakPolarHBondContact CA-O 3.14Å; Q337-F413 WeakPolarHBondContact CB-O 3.36Å; Q337-E418 HydrophobicContact CG-CG 3.75Å; Q337-E418 WeakPolarHBondContact CG-OE1 3.23Å; Q337-E418 VanDerWaalsContact NE2-CD 3.33Å; Q337-E418 PolarHBondContact NE2-OE1 2.91Å; Q337-E418 PolarHBondContact NE2-OE2 2.73Å
338Y91.1Very high87.7Confident35 Ų3548.2 Ų48.214%0.13725%0.253CS..EExtended strand (participates in β ladder)trans-124.4162.6175.472.6-86.6000111.1P353 F354 F413 F577Y338-P353 HydrophobicContact CD2-CB 4.12Å; Y338-P353 HydrophobicContact CE2-CB 4.33Å; Y338-F354 CarbonylContact C-O 3.56Å; Y338-F354 WeakPolarHBondContact CA-O 3.16Å; Y338-F354 WeakPolarHBondContact CB-O 3.27Å; Y338-F413 HydrophobicContact CD1-CB 4.11Å; Y338-F413 HydrophobicContact CD2-CB 4.24Å; Y338-F413 HydrophobicContact CD2-CD2 4.37Å; Y338-F413 HydrophobicContact CE1-CB 3.61Å; Y338-F413 HydrophobicContact CE2-CB 3.76Å; Y338-F413 AromaticContact CE2-CD2 3.89Å; Y338-F413 HydrophobicContact CE2-CD2 3.89Å; Y338-F413 HydrophobicContact CE2-CG 4.17Å; Y338-F413 HydrophobicContact CG-CB 4.4Å; Y338-F413 VanDerWaalsContact CZ-CB 3.41Å; Y338-F413 PolarHBondContact N-O 3.03Å; Y338-F413 PolarHBondContact O-N 3.12Å; Y338-F577 AromaticContact CD1-CE1 3.87Å; Y338-F577 HydrophobicContact CD1-CE1 3.87Å; Y338-F577 AromaticContact CD1-CZ 3.75Å; Y338-F577 HydrophobicContact CD1-CZ 3.75Å; Y338-F577 AromaticContact CD2-CE1 3.73Å; Y338-F577 HydrophobicContact CD2-CE1 3.73Å; Y338-F577 HydrophobicContact CD2-CZ 4.21Å; Y338-F577 HydrophobicContact CE1-CE1 4.24Å; Y338-F577 HydrophobicContact CE1-CZ 4.45Å; Y338-F577 HydrophobicContact CE2-CE1 4.1Å; Y338-F577 AromaticContact CG-CE1 3.6Å; Y338-F577 HydrophobicContact CG-CE1 3.6Å; Y338-F577 AromaticContact CG-CZ 3.61Å; Y338-F577 HydrophobicContact CG-CZ 3.61Å
339I91.9Very high86.8Confident0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-124.3160.8176.456.7162.2000109.8M326 F331 P353 F354 L356 F367 V369 I409M326-I339 HydrophobicContact CE-CD1 4.36Å; F331-I339 HydrophobicContact CE2-CG2 4.38Å; F331-I339 HydrophobicContact CZ-CG2 3.78Å; I339-P353 CarbonylContact O-C 3.4Å; I339-P353 VanDerWaalsContact O-CA 3.3Å; I339-P353 WeakPolarHBondContact O-CA 3.46Å; I339-F354 WeakPolarHBondContact CG1-O 3.41Å; I339-F354 PolarHBondContact N-O 3.25Å; I339-F354 PolarHBondContact O-N 2.97Å; I339-L356 HydrophobicContact CD1-CD2 4.14Å; I339-L356 HydrophobicContact CG1-CD2 4.08Å; I339-L356 HydrophobicContact CG2-CD1 4.16Å; I339-L356 HydrophobicContact CG2-CD2 3.91Å; I339-L356 HydrophobicContact CG2-CG 4.12Å; I339-F367 HydrophobicContact CD1-CE2 4.32Å; I339-V369 HydrophobicContact CD1-CG1 3.77Å; I339-V369 HydrophobicContact CG1-CG1 4.04Å; I339-I409 HydrophobicContact CB-CG2 3.71Å; I339-I409 HydrophobicContact CD1-CD1 3.78Å; I339-I409 HydrophobicContact CD1-CG1 4.27Å; I339-I409 HydrophobicContact CD1-CG2 3.64Å; I339-I409 HydrophobicContact CG1-CG2 4.27Å; I339-I409 HydrophobicContact CG2-CG2 3.92Å
340I90.6Very high86.6Confident10 Ų1045 Ų455%0.05124%0.241CC..EExtended strand (participates in β ladder)trans-106.7124.7169.1-60.9174000107.1N351 H352 I409 D410 F413I340-N351 HydrophobicContact CG2-CB 3.59Å; I340-H352 WeakPolarHBondContact CA-O 3.45Å; I340-I409 WeakPolarHBondContact O-CA 3.47Å; I340-D410 HydrophobicContact CB-CB 4.32Å; I340-D410 PolarHBondContact N-O 3.43Å; I340-D410 PolarHBondContact O-N 3.46Å; I340-F413 HydrophobicContact CB-CE2 4.39Å; I340-F413 HydrophobicContact CD1-CD2 4.12Å; I340-F413 HydrophobicContact CD1-CE2 3.52Å; I340-F413 HydrophobicContact CD1-CZ 4.23Å; I340-F413 HydrophobicContact CG1-CD2 4.07Å; I340-F413 HydrophobicContact CG1-CE2 3.74Å
341L90.7Very high86.6Confident0 Ų040.4 Ų40.40%022%0.216CC..EExtended strand (participates in β ladder)trans-106134.8-177.9-169.8152.6000109.6L324 C343 H352 F354 W377 F381 L407L324-L341 HydrophobicContact CD2-CD1 3.97Å; L341-C343 HydrophobicContact CD2-CB 4.42Å; L341-H352 PolarHBondContact N-O 2.94Å; L341-H352 PolarHBondContact O-N 3.36Å; L341-F354 HydrophobicContact CB-CD2 3.85Å; L341-F354 HydrophobicContact CB-CE2 4.13Å; L341-F354 HydrophobicContact CD1-CD2 4.39Å; L341-W377 HydrophobicContact CD2-CH2 3.76Å; L341-W377 HydrophobicContact CD2-CZ2 4.09Å; L341-F381 HydrophobicContact CD2-CE1 4.38Å; L341-F381 HydrophobicContact CD2-CZ 4.1Å; L341-L407 HydrophobicContact CD1-CD1 4.45Å; L341-L407 HydrophobicContact CD2-CD2 3.9Å
342H90Very high86.6Confident36 Ų3641.4 Ų41.417%0.16722%0.221CC..EExtended strand (participates in β ladder)trans-126.1125.7178175.8-118.5000109.2A348 E350 Y408H342-A348 PolarHBondContact NE2-O 3.21Å; H342-E350 PolarHBondContact CD2-O 2.68Å; H342-E350 VanDerWaalsContact CD2-O 3.3Å; H342-Y408 PolarHBondContact N-O 3.2Å; H342-Y408 AromaticContact ND1-CD2 3.88Å; H342-Y408 PolarHBondContact O-N 3.21Å
343C89.9Confident86.7Confident0 Ų034.8 Ų34.80%020%0.197CC..  trans-125.997.2177.4-173.10000109.2L341 S345 V346 S347 W377 F381 L407L341-C343 HydrophobicContact CD2-CB 4.42Å; C343-S345 PolarHBondContact O-N 3.48Å; C343-S345 VanDerWaalsContact O-N 3.11Å; C343-V346 HydrophobicContact CB-CB 4.4Å; C343-V346 HydrophobicContact CB-CG2 4.08Å; C343-V346 PolarHBondContact O-N 3.32Å; C343-S347 PolarHBondContact O-N 2.95Å; C343-S347 VanDerWaalsContact O-N 3.12Å; C343-S347 VanDerWaalsContact O-O 3.05Å; C343-W377 HydrophobicContact CB-CZ2 4.13Å; C343-F381 HydrophobicContact CB-CD2 4.32Å; C343-F381 HydrophobicContact CB-CE2 4.22Å; C343-L407 HydrophobicContact CB-CD2 3.45Å; C343-L407 VanDerWaalsContact CB-CD2 3.45Å; C343-L407 VanDerWaalsContact SG-CD2 3.59Å
344P88Confident86.9Confident56 Ų5635.3 Ų35.336%0.36420%0.197SC..THydrogen-bonded Turntrans-57.3-27.3-178.9-23.130.1000114V346 S347 Y408P344-V346 VanDerWaalsContact C-N 3.31Å; P344-S347 WeakPolarHBondContact CA-O 3.35Å; P344-Y408 HydrophobicContact CG-CD2 3.93Å; P344-Y408 HydrophobicContact CG-CE2 3.79Å
345S87.2Confident87Confident75 Ų7529.9 Ų29.952%0.52418%0.177SC..THydrogen-bonded Turntrans-69.9-25177.8-56.90000113.4C343C343-S345 PolarHBondContact O-N 3.48Å; C343-S345 VanDerWaalsContact O-N 3.11Å
346V84.8Confident87.2Confident16 Ų1628.9 Ų28.910%0.09717%0.17CC..THydrogen-bonded Turntrans-88.2-50.6173.3-179.70000110.2C343 P344 W377 R380 F381 L384C343-V346 HydrophobicContact CB-CB 4.4Å; C343-V346 HydrophobicContact CB-CG2 4.08Å; C343-V346 PolarHBondContact O-N 3.32Å; P344-V346 VanDerWaalsContact C-N 3.31Å; V346-W377 HydrophobicContact CG1-CD2 4.26Å; V346-W377 HydrophobicContact CG1-CG 3.89Å; V346-R380 HydrophobicContact CG1-CB 3.79Å; V346-F381 HydrophobicContact CG2-CB 3.91Å; V346-F381 HydrophobicContact CG2-CD2 3.84Å; V346-F381 HydrophobicContact CG2-CG 4.32Å; V346-L384 HydrophobicContact CB-CD1 4.45Å; V346-L384 HydrophobicContact CG2-CD1 3.45Å; V346-L384 VanDerWaalsContact CG2-CD1 3.45Å
347S83.2Confident87.4Confident20 Ų2028.9 Ų28.914%0.1417%0.17CC..  trans-155.8130-177176.80000109C343 P344 L349 E350C343-S347 PolarHBondContact O-N 2.95Å; C343-S347 VanDerWaalsContact O-N 3.12Å; C343-S347 VanDerWaalsContact O-O 3.05Å; P344-S347 WeakPolarHBondContact CA-O 3.35Å; S347-L349 PolarHBondContact O-N 3.22Å; S347-E350 WeakPolarHBondContact CB-OE1 3.42Å; S347-E350 WeakPolarHBondContact OG-CB 3.37Å; S347-E350 VanDerWaalsContact OG-CG 3.31Å; S347-E350 WeakPolarHBondContact OG-CG 3.28Å; S347-E350 PolarHBondContact OG-N 3.43Å; S347-E350 PolarHBondContact OG-OE1 2.97Å
348A79.5Confident87.4Confident69 Ų6930.6 Ų30.657%0.5718%0.179SC*.SBendtrans-64.4-25-174.800000112.9H342H342-A348 PolarHBondContact NE2-O 3.21Å
349L72.1Confident87.3Confident72 Ų7230 Ų3038%0.37718%0.179SC..SBendtrans-127.2-16.5-167-64.6175000114.5W191 Y192 S347 N351W191-L349 HydrophobicContact CH2-CB 4.36Å; W191-L349 HydrophobicContact CH2-CD2 4.36Å; W191-L349 HydrophobicContact CZ3-CB 4.3Å; W191-L349 HydrophobicContact CZ3-CD1 4.22Å; Y192-L349 HydrophobicContact CE1-CD1 3.53Å; Y192-L349 VanDerWaalsContact OH-CD1 3.26Å; Y192-L349 WeakPolarHBondContact OH-CD1 3.31Å; S347-L349 PolarHBondContact O-N 3.22Å; L349-N351 PolarHBondContact O-ND2 2.96Å
350E80.8Confident87Confident25 Ų2531.1 Ų31.112%0.11719%0.187CC..  trans-74.9135.4-177.8-76.8173-108.300113.8D188 H342 S347 H352D188-E350 VanDerWaalsContact OD1-CG 3.26Å; D188-E350 WeakPolarHBondContact OD1-CG 3.35Å; H342-E350 PolarHBondContact CD2-O 2.68Å; H342-E350 VanDerWaalsContact CD2-O 3.3Å; S347-E350 WeakPolarHBondContact CB-OE1 3.42Å; S347-E350 WeakPolarHBondContact OG-CB 3.37Å; S347-E350 VanDerWaalsContact OG-CG 3.31Å; S347-E350 WeakPolarHBondContact OG-CG 3.28Å; S347-E350 PolarHBondContact OG-N 3.43Å; S347-E350 PolarHBondContact OG-OE1 2.97Å; E350-H352 IonicContact OE2-CD2 3.63Å; E350-H352 IonicContact OE2-CE1 2.82Å; E350-H352 IonicContact OE2-NE2 3.62Å; E350-H352 PolarHBondContact OE2-NE2 3.24Å
351N84.6Confident86.6Confident63 Ų6333.2 Ų33.234%0.33720%0.2SC..EExtended strand (participates in β ladder)trans-127.9114.6-175.2-79.9-81.4000109.1I340 L349I340-N351 HydrophobicContact CG2-CB 3.59Å; L349-N351 PolarHBondContact O-ND2 2.96Å
352H85.9Confident85.8Confident42 Ų4243.1 Ų43.119%0.19425%0.246CC..EExtended strand (participates in β ladder)trans-111.5127.5-171.3-71.7-82.9000111.9I340 L341 E350 F354 W377I340-H352 WeakPolarHBondContact CA-O 3.45Å; L341-H352 PolarHBondContact N-O 2.94Å; L341-H352 PolarHBondContact O-N 3.36Å; E350-H352 IonicContact OE2-CD2 3.63Å; E350-H352 IonicContact OE2-CE1 2.82Å; E350-H352 IonicContact OE2-NE2 3.62Å; E350-H352 PolarHBondContact OE2-NE2 3.24Å; H352-F354 HydrophobicContact CB-CD2 4.45Å; H352-F354 HydrophobicContact CB-CE2 3.61Å; H352-F354 HydrophobicContact CB-CZ 3.85Å; H352-W377 HydrophobicContact CB-CZ3 4.41Å; H352-W377 AromaticContact CD2-CD1 3.66Å; H352-W377 AromaticContact CD2-CD2 3.25Å; H352-W377 AromaticContact CD2-CE2 3.29Å; H352-W377 AromaticContact CD2-CE3 3.74Å; H352-W377 AromaticContact CD2-CG 3.54Å; H352-W377 AromaticContact CD2-CZ2 3.87Å; H352-W377 AromaticContact CD2-NE1 3.48Å; H352-W377 PolarHBondContact CD2-NE1 3.05Å; H352-W377 AromaticContact CE1-CG 3.92Å; H352-W377 AromaticContact CG-CD2 3.96Å; H352-W377 AromaticContact CG-CE3 4Å; H352-W377 AromaticContact NE2-CD1 3.29Å; H352-W377 VanDerWaalsContact NE2-CD1 3.29Å; H352-W377 AromaticContact NE2-CD2 3.4Å; H352-W377 AromaticContact NE2-CE2 3.77Å; H352-W377 AromaticContact NE2-CG 3.13Å; H352-W377 AromaticContact NE2-NE1 3.64Å
353P89.4Confident85Confident47 Ų4747.5 Ų47.531%0.30528%0.275SS..EExtended strand (participates in β ladder)trans-81.9129.6179.632.4-33000111.8Y338 I339 F577Y338-P353 HydrophobicContact CD2-CB 4.12Å; Y338-P353 HydrophobicContact CE2-CB 4.33Å; I339-P353 CarbonylContact O-C 3.4Å; I339-P353 VanDerWaalsContact O-CA 3.3Å; I339-P353 WeakPolarHBondContact O-CA 3.46Å; P353-F577 HydrophobicContact CB-CD1 3.73Å; P353-F577 HydrophobicContact CB-CE1 4.13Å; P353-F577 HydrophobicContact CG-CB 4.43Å; P353-F577 HydrophobicContact CG-CD1 3.86Å
354F91.6Very high84.5Confident26 Ų2653.2 Ų53.211%0.11430%0.3CS..EExtended strand (participates in β ladder)trans-131134.9175.4-63.3-68.2000111.4Y338 I339 L341 H352 V369 F371 W377Y338-F354 CarbonylContact C-O 3.56Å; Y338-F354 WeakPolarHBondContact CA-O 3.16Å; Y338-F354 WeakPolarHBondContact CB-O 3.27Å; I339-F354 WeakPolarHBondContact CG1-O 3.41Å; I339-F354 PolarHBondContact N-O 3.25Å; I339-F354 PolarHBondContact O-N 2.97Å; L341-F354 HydrophobicContact CB-CD2 3.85Å; L341-F354 HydrophobicContact CB-CE2 4.13Å; L341-F354 HydrophobicContact CD1-CD2 4.39Å; H352-F354 HydrophobicContact CB-CD2 4.45Å; H352-F354 HydrophobicContact CB-CE2 3.61Å; H352-F354 HydrophobicContact CB-CZ 3.85Å; F354-V369 HydrophobicContact CB-CB 4.14Å; F354-V369 HydrophobicContact CB-CG1 4.05Å; F354-F371 HydrophobicContact CD1-CB 3.67Å; F354-F371 HydrophobicContact CE1-CB 3.38Å; F354-F371 HydrophobicContact CE1-CG 4.17Å; F354-F371 HydrophobicContact CZ-CB 4.14Å; F354-F371 HydrophobicContact CZ-CG 4.48Å; F354-W377 HydrophobicContact CE2-CH2 4.16Å; F354-W377 AromaticContact CE2-CZ3 3.97Å; F354-W377 HydrophobicContact CE2-CZ3 3.97Å; F354-W377 HydrophobicContact CZ-CH2 4.44Å; F354-W377 AromaticContact CZ-CZ3 3.79Å; F354-W377 HydrophobicContact CZ-CZ3 3.79Å
355T91.6Very high84.4Confident3 Ų353.6 Ų53.62%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-72140175.1-43.90000111.1Q337 T357 P437 F577Q337-T355 WeakPolarHBondContact O-CG2 2.92Å; T355-T357 PolarHBondContact O-N 2.88Å; T355-P437 HydrophobicContact CG2-CB 3.82Å; T355-P437 HydrophobicContact CG2-CG 3.93Å; T355-F577 WeakPolarHBondContact OG1-CE2 3.25Å
356L92.3Very high84.5Confident0 Ų052.1 Ų52.10%030%0.296CS..EExtended strand (participates in β ladder)trans-70.9125.1172.2-64.6171.2000109.1F331 A333 Q337 I339 F367 V369 S440F331-L356 HydrophobicContact CE1-CD1 4.43Å; F331-L356 HydrophobicContact CZ-CD1 4.39Å; A333-L356 HydrophobicContact CB-CD1 3.42Å; A333-L356 VanDerWaalsContact CB-CD1 3.42Å; Q337-L356 HydrophobicContact CB-CD1 4.27Å; Q337-L356 WeakPolarHBondContact O-CB 3.23Å; Q337-L356 PolarHBondContact O-N 3.39Å; I339-L356 HydrophobicContact CD1-CD2 4.14Å; I339-L356 HydrophobicContact CG1-CD2 4.08Å; I339-L356 HydrophobicContact CG2-CD1 4.16Å; I339-L356 HydrophobicContact CG2-CD2 3.91Å; I339-L356 HydrophobicContact CG2-CG 4.12Å; L356-F367 HydrophobicContact CD2-CD2 3.86Å; L356-V369 HydrophobicContact CD2-CG1 4.11Å; L356-S440 VanDerWaalsContact O-CB 3.22Å; L356-S440 WeakPolarHBondContact O-CB 3.4Å; L356-S440 PolarHBondContact O-OG 3.28Å
357T91.5Very high84.9Confident1 Ų151.4 Ų51.41%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-96.1-23.9173.855.40000111.8T355 G368 H370 T436 A439 S440 N443T355-T357 PolarHBondContact O-N 2.88Å; T357-G368 PolarHBondContact N-O 3.3Å; T357-G368 PolarHBondContact OG1-O 3.45Å; T357-G368 VanDerWaalsContact OG1-O 3.07Å; T357-H370 WeakPolarHBondContact CB-ND1 3.47Å; T357-H370 HydrophobicContact CG2-CB 3.87Å; T357-H370 VanDerWaalsContact CG2-ND1 3.33Å; T357-H370 WeakPolarHBondContact CG2-ND1 3.32Å; T357-H370 PolarHBondContact OG1-CE1 3.2Å; T357-H370 PolarHBondContact OG1-ND1 3.42Å; T357-T436 HydrophobicContact CG2-CG2 4.04Å; T357-A439 HydrophobicContact CG2-CB 3.9Å; T357-A439 CarbonylContact O-C 3.4Å; T357-S440 VanDerWaalsContact O-CA 3.24Å; T357-S440 WeakPolarHBondContact O-CA 3.24Å; T357-S440 PolarHBondContact O-N 3.06Å; T357-N443 PolarHBondContact O-ND2 3.25Å
358M89.1Confident85.3Confident47 Ų4750.4 Ų50.423%0.23229%0.285CS..EExtended strand (participates in β ladder)trans-132.1130.2173.7-62.8171.770.400108.5F367 G368M358-F367 WeakPolarHBondContact O-CA 3.26Å; M358-F367 VanDerWaalsContact O-CB 3.32Å; M358-F367 WeakPolarHBondContact O-CB 3.36Å; M358-G368 PolarHBondContact N-O 2.91Å; M358-G368 PolarHBondContact O-N 3.44Å; M358-G368 VanDerWaalsContact O-N 3.12Å
359C88.5Confident86Confident23 Ų2347.1 Ų47.116%0.15526%0.258CS..  trans-102.5146.9177.1-63.20000109.7R334R334-C359 VanDerWaalsContact C-SG 3.52Å; R334-C359 PolarHBondContact O-SG 3.28Å
360P86.4Confident87Confident23 Ų2344.4 Ų44.415%0.14924%0.243CC..  trans-70.4135.917631.2-30.9000109.5F331 A333 K364F331-P360 HydrophobicContact CD1-CG 4.11Å; F331-P360 VanDerWaalsContact O-CG 3.31Å; F331-P360 WeakPolarHBondContact O-CG 3.14Å; A333-P360 HydrophobicContact CB-CG 4.48Å; P360-K364 CarbonylContact C-O 3.52Å; P360-K364 VanDerWaalsContact CA-O 3.31Å; P360-K364 WeakPolarHBondContact CA-O 3.05Å
361T81.3Confident87.4Confident54 Ų5443.4 Ų43.433%0.33124%0.238SC..  trans-111.4170.9173.461.20000109.8T363 K364T361-T363 PolarHBondContact O-N 3.21Å; T361-T363 VanDerWaalsContact O-N 3.17Å; T361-T363 PolarHBondContact OG1-OG1 3.06Å; T361-K364 PolarHBondContact N-O 2.81Å; T361-K364 CarbonylContact O-C 3.42Å; T361-K364 PolarHBondContact O-N 2.98Å; T361-K364 VanDerWaalsContact O-O 3.13Å; T361-K364 PolarHBondContact OG1-N 2.86Å; T361-K364 VanDerWaalsContact OG1-N 3.14Å
362E73.8Confident87.7Confident207 Ų20744.3 Ų44.397%0.96724%0.239SC*.SBendtrans-57.7-29.5176.7-65.2-176.8170.900112.5
363T73.4Confident87.8Confident128 Ų12843 Ų4379%0.78523%0.234SC*.SBendtrans-93.8-23.7-179.655.80000113.7T361T361-T363 PolarHBondContact O-N 3.21Å; T361-T363 VanDerWaalsContact O-N 3.17Å; T361-T363 PolarHBondContact OG1-OG1 3.06Å
364K80.1Confident87.4Confident120 Ų12045.7 Ų45.752%0.52225%0.25SC..  trans-129.3104.6-178.4-63.8176.5-176.1168.30110.3P360 T361 T366P360-K364 CarbonylContact C-O 3.52Å; P360-K364 VanDerWaalsContact CA-O 3.31Å; P360-K364 WeakPolarHBondContact CA-O 3.05Å; T361-K364 PolarHBondContact N-O 2.81Å; T361-K364 CarbonylContact O-C 3.42Å; T361-K364 PolarHBondContact O-N 2.98Å; T361-K364 VanDerWaalsContact O-O 3.13Å; T361-K364 PolarHBondContact OG1-N 2.86Å; T361-K364 VanDerWaalsContact OG1-N 3.14Å; K364-T366 PolarHBondContact O-N 3.44Å
365A85.5Confident87Confident64 Ų6446 Ų4653%0.52926%0.259SS..  trans-71.2-6.3177.600000114.2V327V327-A365 HydrophobicContact CG2-CB 3.99Å
366T89.9Confident86.6Confident44 Ų4450.8 Ų50.827%0.2729%0.285SS..EExtended strand (participates in β ladder)trans-81134.2-175.861.50000111.7I312 M326 K364I312-T366 HydrophobicContact CD1-CG2 3.38Å; M326-T366 WeakPolarHBondContact O-CA 3.24Å; K364-T366 PolarHBondContact O-N 3.44Å
367F93.1Very high86.3Confident1 Ų151 Ų510%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-122.9160.7168.563.9-87.2000109.9V309 M326 K328 F331 I339 L356 M358 I409V309-F367 HydrophobicContact CG1-CZ 3.93Å; M326-F367 HydrophobicContact CB-CD2 4.29Å; M326-F367 HydrophobicContact CB-CE1 4.23Å; M326-F367 HydrophobicContact CB-CE2 3.79Å; M326-F367 HydrophobicContact CB-CZ 3.76Å; M326-F367 HydrophobicContact CE-CD2 4.21Å; M326-F367 HydrophobicContact CE-CE2 3.76Å; M326-F367 PolarHBondContact N-O 3.37Å; M326-F367 WeakPolarHBondContact O-CD1 3.43Å; M326-F367 PolarHBondContact O-N 3.21Å; M326-F367 HydrophobicContact SD-CE2 4.37Å; K328-F367 HydrophobicContact CB-CE1 3.79Å; K328-F367 HydrophobicContact CB-CZ 4.13Å; F331-F367 AromaticContact CD1-CD1 3.5Å; F331-F367 HydrophobicContact CD1-CD1 3.5Å; F331-F367 HydrophobicContact CD1-CD2 4.46Å; F331-F367 AromaticContact CD1-CE1 3.6Å; F331-F367 HydrophobicContact CD1-CE1 3.6Å; F331-F367 AromaticContact CD1-CG 3.96Å; F331-F367 HydrophobicContact CD1-CG 3.96Å; F331-F367 HydrophobicContact CD1-CZ 4.13Å; F331-F367 HydrophobicContact CE1-CB 4.4Å; F331-F367 AromaticContact CE1-CD1 3.85Å; F331-F367 HydrophobicContact CE1-CD1 3.85Å; F331-F367 AromaticContact CE1-CD2 3.99Å; F331-F367 HydrophobicContact CE1-CD2 3.99Å; F331-F367 HydrophobicContact CE1-CE1 4.05Å; F331-F367 HydrophobicContact CE1-CE2 4.18Å; F331-F367 AromaticContact CE1-CG 3.82Å; F331-F367 HydrophobicContact CE1-CG 3.82Å; F331-F367 HydrophobicContact CE1-CZ 4.21Å; F331-F367 HydrophobicContact CG-CD1 4.45Å; F331-F367 HydrophobicContact CG-CE1 4.15Å; I339-F367 HydrophobicContact CD1-CE2 4.32Å; L356-F367 HydrophobicContact CD2-CD2 3.86Å; M358-F367 WeakPolarHBondContact O-CA 3.26Å; M358-F367 VanDerWaalsContact O-CB 3.32Å; M358-F367 WeakPolarHBondContact O-CB 3.36Å; F367-I409 HydrophobicContact CE2-CD1 3.65Å; F367-I409 HydrophobicContact CZ-CD1 3.77Å
368G91.9Very high86.2Confident0 Ų051.7 Ų51.70%029%0.29CS..EExtended strand (participates in β ladder)trans-144.7152.7-172.900000113.3L324 T357 M358L324-G368 CarbonylContact O-C 3.57Å; L324-G368 WeakPolarHBondContact O-CA 3.26Å; T357-G368 PolarHBondContact N-O 3.3Å; T357-G368 PolarHBondContact OG1-O 3.45Å; T357-G368 VanDerWaalsContact OG1-O 3.07Å; M358-G368 PolarHBondContact N-O 2.91Å; M358-G368 PolarHBondContact O-N 3.44Å; M358-G368 VanDerWaalsContact O-N 3.12Å
369V93.9Very high86.2Confident0 Ų053.8 Ų53.80%030%0.299CS..EExtended strand (participates in β ladder)trans-126.4147.5172.3-62.20000109.7L324 M326 I339 F354 L356L324-V369 HydrophobicContact CB-CG2 3.88Å; L324-V369 HydrophobicContact CD2-CG2 4.13Å; L324-V369 HydrophobicContact CG-CG2 4.41Å; L324-V369 PolarHBondContact N-O 2.97Å; L324-V369 PolarHBondContact O-N 3.26Å; M326-V369 HydrophobicContact CE-CG1 4.23Å; M326-V369 HydrophobicContact CE-CG2 3.82Å; I339-V369 HydrophobicContact CD1-CG1 3.77Å; I339-V369 HydrophobicContact CG1-CG1 4.04Å; F354-V369 HydrophobicContact CB-CB 4.14Å; F354-V369 HydrophobicContact CB-CG1 4.05Å; L356-V369 HydrophobicContact CD2-CG1 4.11Å
370H91.8Very high86.1Confident15 Ų1559.6 Ų59.67%0.06932%0.318CS..EExtended strand (participates in β ladder)trans-115.9131.8167.5-68.761.1000108.5H317 V321 M322 E323 T357 T436 W471H317-H370 AromaticContact NE2-NE2 3.99Å; V321-H370 HydrophobicContact CG1-CB 4.32Å; M322-H370 VanDerWaalsContact O-CA 3.27Å; M322-H370 WeakPolarHBondContact O-CA 3.31Å; E323-H370 VanDerWaalsContact CG-CE1 3.46Å; E323-H370 WeakPolarHBondContact CG-CE1 3.16Å; E323-H370 IonicContact OE2-NE2 3.92Å; T357-H370 WeakPolarHBondContact CB-ND1 3.47Å; T357-H370 HydrophobicContact CG2-CB 3.87Å; T357-H370 VanDerWaalsContact CG2-ND1 3.33Å; T357-H370 WeakPolarHBondContact CG2-ND1 3.32Å; T357-H370 PolarHBondContact OG1-CE1 3.2Å; T357-H370 PolarHBondContact OG1-ND1 3.42Å; H370-T436 HydrophobicContact CB-CG2 3.82Å; H370-W471 HydrophobicContact CB-CH2 4.46Å; H370-W471 HydrophobicContact CB-CZ3 4.47Å; H370-W471 AromaticContact CD2-CE3 3.46Å; H370-W471 VanDerWaalsContact CD2-CE3 3.46Å; H370-W471 AromaticContact CD2-CZ3 3.37Å; H370-W471 WeakPolarHBondContact CD2-CZ3 3.44Å; H370-W471 AromaticContact CG-CZ3 3.88Å; H370-W471 AromaticContact NE2-CE3 3.62Å; H370-W471 AromaticContact NE2-CZ3 3.64Å
371F90.7Very high86.3Confident4 Ų458.5 Ų58.52%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-131.8146175.166.3-86.4000109.9V321 M322 F354 V373 T378 F381 L385V321-F371 WeakPolarHBondContact CA-O 3.31Å; M322-F371 HydrophobicContact CB-CD1 4.03Å; M322-F371 HydrophobicContact CB-CD2 4.25Å; M322-F371 HydrophobicContact CB-CE1 3.53Å; M322-F371 HydrophobicContact CB-CE2 3.78Å; M322-F371 HydrophobicContact CB-CG 4.37Å; M322-F371 HydrophobicContact CB-CZ 3.39Å; M322-F371 HydrophobicContact CG-CE1 4.5Å; M322-F371 HydrophobicContact CG-CE2 4Å; M322-F371 HydrophobicContact CG-CZ 3.88Å; M322-F371 PolarHBondContact N-O 3.22Å; M322-F371 PolarHBondContact O-N 3.3Å; F354-F371 HydrophobicContact CD1-CB 3.67Å; F354-F371 HydrophobicContact CE1-CB 3.38Å; F354-F371 HydrophobicContact CE1-CG 4.17Å; F354-F371 HydrophobicContact CZ-CB 4.14Å; F354-F371 HydrophobicContact CZ-CG 4.48Å; F371-V373 HydrophobicContact CE2-CG2 4.29Å; F371-T378 HydrophobicContact CD2-CG2 4.29Å; F371-F381 AromaticContact CE1-CD1 3.94Å; F371-F381 HydrophobicContact CE1-CD1 3.94Å; F371-F381 AromaticContact CE1-CE1 3.68Å; F371-F381 HydrophobicContact CE1-CE1 3.68Å; F371-F381 AromaticContact CE2-CD1 3.87Å; F371-F381 HydrophobicContact CE2-CD1 3.87Å; F371-F381 HydrophobicContact CE2-CE1 4.45Å; F371-F381 AromaticContact CZ-CD1 3.41Å; F371-F381 HydrophobicContact CZ-CD1 3.41Å; F371-F381 VanDerWaalsContact CZ-CD1 3.41Å; F371-F381 AromaticContact CZ-CE1 3.63Å; F371-F381 HydrophobicContact CZ-CE1 3.63Å; F371-L385 HydrophobicContact CE1-CD1 4.43Å; F371-L385 HydrophobicContact CZ-CD1 4.14Å
372K89.7Confident86.8Confident82 Ų8259.1 Ų59.136%0.35731%0.307SS..EExtended strand (participates in β ladder)trans-92.7138.3172.6-167.4179.8174.7170.70108.6S319 D320 V321 V374 I433S319-K372 WeakPolarHBondContact O-CE 3.28Å; D320-K372 CarbonylContact O-C 3.58Å; D320-K372 WeakPolarHBondContact O-CA 3.29Å; D320-K372 WeakPolarHBondContact O-CG 3.06Å; V321-K372 HydrophobicContact CG2-CB 4.46Å; V321-K372 HydrophobicContact CG2-CG 4.28Å; K372-V374 HydrophobicContact CB-CG2 4.01Å; K372-V374 HydrophobicContact CD-CG2 3.68Å; K372-V374 HydrophobicContact CG-CG2 3.63Å; K372-V374 PolarHBondContact O-N 3.44Å; K372-V374 VanDerWaalsContact O-N 3.11Å; K372-I433 HydrophobicContact CB-CB 4.17Å; K372-I433 HydrophobicContact CB-CD1 4.13Å; K372-I433 HydrophobicContact CB-CG1 3.87Å; K372-I433 HydrophobicContact CB-CG2 4.49Å
373V88.3Confident87.5Confident13 Ų1352.7 Ų52.78%0.07928%0.28CS..  trans-76.598.6175.8-173.20000108.4D320 M322 F371 E379 R382D320-V373 HydrophobicContact CB-CB 4.15Å; D320-V373 PolarHBondContact O-N 2.85Å; M322-V373 HydrophobicContact CG-CG2 3.95Å; F371-V373 HydrophobicContact CE2-CG2 4.29Å; V373-E379 HydrophobicContact CG1-CB 4.21Å; V373-E379 HydrophobicContact CG1-CG 3.48Å; V373-E379 VanDerWaalsContact CG1-CG 3.48Å; V373-R382 HydrophobicContact CG2-CB 4.05Å; V373-R382 HydrophobicContact CG2-CG 4.37Å
374V81.6Confident88.1Confident105 Ų10550.2 Ų50.264%0.63626%0.261SS*.  trans-14586.2-177.8-171.80000107.3K372 T378K372-V374 HydrophobicContact CB-CG2 4.01Å; K372-V374 HydrophobicContact CD-CG2 3.68Å; K372-V374 HydrophobicContact CG-CG2 3.63Å; K372-V374 PolarHBondContact O-N 3.44Å; K372-V374 VanDerWaalsContact O-N 3.11Å; V374-T378 VanDerWaalsContact C-OG1 3.28Å; V374-T378 PolarHBondContact N-OG1 2.68Å
375G82.3Confident88.5Confident31 Ų3144.7 Ų44.732%0.3224%0.237SC..SBendtrans124.5164.4178.800000113.8W377 T378 E379G375-W377 PolarHBondContact O-N 3.3Å; G375-T378 PolarHBondContact N-OG1 3.46Å; G375-T378 PolarHBondContact O-N 3.18Å; G375-T378 PolarHBondContact O-OG1 3.29Å; G375-E379 WeakPolarHBondContact O-CB 3.42Å; G375-E379 VanDerWaalsContact O-CG 3.3Å; G375-E379 WeakPolarHBondContact O-CG 3.49Å; G375-E379 PolarHBondContact O-N 2.96Å
376D83Confident88.5Confident105 Ų10543.8 Ų43.856%0.56122%0.223SC*.Hα-helixtrans-54.8-47.6-175.158.6-18.3000113.7E379 R380D376-E379 PolarHBondContact O-N 3.4Å; D376-R380 WeakPolarHBondContact O-CG 3.26Å; D376-R380 PolarHBondContact O-N 3.31Å
377W86.5Confident87.7Confident5 Ų546 Ų462%0.01924%0.239CC..Hα-helixtrans-64-45.9179.1-174.194.8000111.4L341 C343 V346 H352 F354 G375 E379 F381L341-W377 HydrophobicContact CD2-CH2 3.76Å; L341-W377 HydrophobicContact CD2-CZ2 4.09Å; C343-W377 HydrophobicContact CB-CZ2 4.13Å; V346-W377 HydrophobicContact CG1-CD2 4.26Å; V346-W377 HydrophobicContact CG1-CG 3.89Å; H352-W377 HydrophobicContact CB-CZ3 4.41Å; H352-W377 AromaticContact CD2-CD1 3.66Å; H352-W377 AromaticContact CD2-CD2 3.25Å; H352-W377 AromaticContact CD2-CE2 3.29Å; H352-W377 AromaticContact CD2-CE3 3.74Å; H352-W377 AromaticContact CD2-CG 3.54Å; H352-W377 AromaticContact CD2-CZ2 3.87Å; H352-W377 AromaticContact CD2-NE1 3.48Å; H352-W377 PolarHBondContact CD2-NE1 3.05Å; H352-W377 AromaticContact CE1-CG 3.92Å; H352-W377 AromaticContact CG-CD2 3.96Å; H352-W377 AromaticContact CG-CE3 4Å; H352-W377 AromaticContact NE2-CD1 3.29Å; H352-W377 VanDerWaalsContact NE2-CD1 3.29Å; H352-W377 AromaticContact NE2-CD2 3.4Å; H352-W377 AromaticContact NE2-CE2 3.77Å; H352-W377 AromaticContact NE2-CG 3.13Å; H352-W377 AromaticContact NE2-NE1 3.64Å; F354-W377 HydrophobicContact CE2-CH2 4.16Å; F354-W377 AromaticContact CE2-CZ3 3.97Å; F354-W377 HydrophobicContact CE2-CZ3 3.97Å; F354-W377 HydrophobicContact CZ-CH2 4.44Å; F354-W377 AromaticContact CZ-CZ3 3.79Å; F354-W377 HydrophobicContact CZ-CZ3 3.79Å; G375-W377 PolarHBondContact O-N 3.3Å; W377-E379 VanDerWaalsContact C-N 3.34Å; W377-E379 PolarHBondContact O-N 3.49Å; W377-F381 HydrophobicContact CE3-CB 4.17Å; W377-F381 HydrophobicContact CH2-CB 4Å; W377-F381 AromaticContact CH2-CD1 3.51Å; W377-F381 HydrophobicContact CH2-CD1 3.51Å; W377-F381 HydrophobicContact CH2-CD2 4.19Å; W377-F381 AromaticContact CH2-CE1 3.97Å; W377-F381 HydrophobicContact CH2-CE1 3.97Å; W377-F381 AromaticContact CH2-CG 3.63Å; W377-F381 HydrophobicContact CH2-CG 3.63Å; W377-F381 HydrophobicContact CH2-CZ 4.5Å; W377-F381 HydrophobicContact CZ2-CB 4.47Å; W377-F381 HydrophobicContact CZ2-CG 4.29Å; W377-F381 HydrophobicContact CZ3-CB 3.87Å; W377-F381 AromaticContact CZ3-CD1 3.58Å; W377-F381 HydrophobicContact CZ3-CD1 3.58Å; W377-F381 HydrophobicContact CZ3-CE1 4.34Å; W377-F381 AromaticContact CZ3-CG 3.86Å; W377-F381 HydrophobicContact CZ3-CG 3.86Å; W377-F381 VanDerWaalsContact O-CB 3.24Å; W377-F381 WeakPolarHBondContact O-CB 3.13Å; W377-F381 PolarHBondContact O-N 3.46Å
378T88.8Confident86.3Confident15 Ų1551.3 Ų51.39%0.09227%0.273CS..Hα-helixtrans-70-30.6-178.555.50000113.1F371 V374 G375 R382F371-T378 HydrophobicContact CD2-CG2 4.29Å; V374-T378 VanDerWaalsContact C-OG1 3.28Å; V374-T378 PolarHBondContact N-OG1 2.68Å; G375-T378 PolarHBondContact N-OG1 3.46Å; G375-T378 PolarHBondContact O-N 3.18Å; G375-T378 PolarHBondContact O-OG1 3.29Å; T378-R382 WeakPolarHBondContact O-CB 3.29Å; T378-R382 PolarHBondContact O-N 3.05Å
379E88.8Confident84.6Confident90 Ų9056.3 Ų56.342%0.42131%0.308SS..Hα-helixtrans-68-51.8174.9-76.4171.1-164.900110.7V373 G375 D376 W377 F381 R382 D383V373-E379 HydrophobicContact CG1-CB 4.21Å; V373-E379 HydrophobicContact CG1-CG 3.48Å; V373-E379 VanDerWaalsContact CG1-CG 3.48Å; G375-E379 WeakPolarHBondContact O-CB 3.42Å; G375-E379 VanDerWaalsContact O-CG 3.3Å; G375-E379 WeakPolarHBondContact O-CG 3.49Å; G375-E379 PolarHBondContact O-N 2.96Å; D376-E379 PolarHBondContact O-N 3.4Å; W377-E379 VanDerWaalsContact C-N 3.34Å; W377-E379 PolarHBondContact O-N 3.49Å; E379-F381 PolarHBondContact O-N 3.3Å; E379-R382 WeakPolarHBondContact O-CB 3.37Å; E379-R382 PolarHBondContact O-N 3.06Å; E379-D383 PolarHBondContact O-N 3.29Å
380R87.8Confident82.4Confident145 Ų14560.7 Ų60.755%0.54734%0.339SS..Hα-helixtrans-58.6-39.8174.1-70.1177.3-176.8-175.64.2111.8V346 D376 D383 L384V346-R380 HydrophobicContact CG1-CB 3.79Å; D376-R380 WeakPolarHBondContact O-CG 3.26Å; D376-R380 PolarHBondContact O-N 3.31Å; R380-D383 PolarHBondContact O-N 3.15Å; R380-L384 WeakPolarHBondContact O-CG 3.29Å; R380-L384 PolarHBondContact O-N 3.29Å
381F90.6Very high80.1Confident0 Ų069.2 Ų69.20%038%0.378CS..Hα-helixtrans-65.3-42.7178-172.5-133.6000112.1L324 L341 C343 V346 F371 W377 E379 L384 L385 L407L324-F381 HydrophobicContact CD2-CE1 4.35Å; L324-F381 HydrophobicContact CD2-CZ 4.08Å; L341-F381 HydrophobicContact CD2-CE1 4.38Å; L341-F381 HydrophobicContact CD2-CZ 4.1Å; C343-F381 HydrophobicContact CB-CD2 4.32Å; C343-F381 HydrophobicContact CB-CE2 4.22Å; V346-F381 HydrophobicContact CG2-CB 3.91Å; V346-F381 HydrophobicContact CG2-CD2 3.84Å; V346-F381 HydrophobicContact CG2-CG 4.32Å; F371-F381 AromaticContact CE1-CD1 3.94Å; F371-F381 HydrophobicContact CE1-CD1 3.94Å; F371-F381 AromaticContact CE1-CE1 3.68Å; F371-F381 HydrophobicContact CE1-CE1 3.68Å; F371-F381 AromaticContact CE2-CD1 3.87Å; F371-F381 HydrophobicContact CE2-CD1 3.87Å; F371-F381 HydrophobicContact CE2-CE1 4.45Å; F371-F381 AromaticContact CZ-CD1 3.41Å; F371-F381 HydrophobicContact CZ-CD1 3.41Å; F371-F381 VanDerWaalsContact CZ-CD1 3.41Å; F371-F381 AromaticContact CZ-CE1 3.63Å; F371-F381 HydrophobicContact CZ-CE1 3.63Å; W377-F381 HydrophobicContact CE3-CB 4.17Å; W377-F381 HydrophobicContact CH2-CB 4Å; W377-F381 AromaticContact CH2-CD1 3.51Å; W377-F381 HydrophobicContact CH2-CD1 3.51Å; W377-F381 HydrophobicContact CH2-CD2 4.19Å; W377-F381 AromaticContact CH2-CE1 3.97Å; W377-F381 HydrophobicContact CH2-CE1 3.97Å; W377-F381 AromaticContact CH2-CG 3.63Å; W377-F381 HydrophobicContact CH2-CG 3.63Å; W377-F381 HydrophobicContact CH2-CZ 4.5Å; W377-F381 HydrophobicContact CZ2-CB 4.47Å; W377-F381 HydrophobicContact CZ2-CG 4.29Å; W377-F381 HydrophobicContact CZ3-CB 3.87Å; W377-F381 AromaticContact CZ3-CD1 3.58Å; W377-F381 HydrophobicContact CZ3-CD1 3.58Å; W377-F381 HydrophobicContact CZ3-CE1 4.34Å; W377-F381 AromaticContact CZ3-CG 3.86Å; W377-F381 HydrophobicContact CZ3-CG 3.86Å; W377-F381 VanDerWaalsContact O-CB 3.24Å; W377-F381 WeakPolarHBondContact O-CB 3.13Å; W377-F381 PolarHBondContact O-N 3.46Å; E379-F381 PolarHBondContact O-N 3.3Å; F381-L384 PolarHBondContact O-N 2.99Å; F381-L385 HydrophobicContact CD1-CD1 4.13Å; F381-L385 HydrophobicContact CD2-CD1 4.37Å; F381-L385 HydrophobicContact CD2-CG 4.28Å; F381-L385 HydrophobicContact CE1-CD1 3.74Å; F381-L385 HydrophobicContact CE2-CD1 3.97Å; F381-L385 HydrophobicContact CE2-CD2 4.05Å; F381-L385 HydrophobicContact CE2-CG 3.95Å; F381-L385 HydrophobicContact CG-CD1 4.44Å; F381-L385 HydrophobicContact CZ-CD1 3.65Å; F381-L385 HydrophobicContact CZ-CD2 4.23Å; F381-L385 HydrophobicContact CZ-CG 4.14Å; F381-L385 VanDerWaalsContact O-CG 3.31Å; F381-L385 WeakPolarHBondContact O-CG 3.41Å; F381-L385 PolarHBondContact O-N 3Å; F381-L385 VanDerWaalsContact O-N 3.1Å; F381-L407 HydrophobicContact CE2-CD1 4.41Å; F381-L407 HydrophobicContact CE2-CD2 3.83Å; F381-L407 HydrophobicContact CZ-CD1 4.05Å; F381-L407 HydrophobicContact CZ-CD2 4.08Å
382R90.9Very high77.8Confident68 Ų6876.3 Ų76.326%0.25742%0.416SS..Hα-helixtrans-57.5-48.8171.9171.5-156.157.7-144.8-11.8110.6M322 V373 T378 E379 L384 L385 L386M322-R382 HydrophobicContact CE-CG 4.35Å; M322-R382 HydrophobicContact SD-CG 4.3Å; V373-R382 HydrophobicContact CG2-CB 4.05Å; V373-R382 HydrophobicContact CG2-CG 4.37Å; T378-R382 WeakPolarHBondContact O-CB 3.29Å; T378-R382 PolarHBondContact O-N 3.05Å; E379-R382 WeakPolarHBondContact O-CB 3.37Å; E379-R382 PolarHBondContact O-N 3.06Å; R382-L384 VanDerWaalsContact C-N 3.26Å; R382-L384 PolarHBondContact O-N 3.11Å; R382-L385 PolarHBondContact O-N 3.17Å; R382-L386 PolarHBondContact O-N 3Å
383D88.8Confident75.4Confident72 Ų7276.9 Ų76.939%0.38543%0.431SS..Hα-helixtrans-65-31.1-175-59.2-14.5000111.9E379 R380 L386 P387E379-D383 PolarHBondContact O-N 3.29Å; R380-D383 PolarHBondContact O-N 3.15Å; D383-L386 CarbonylContact O-C 3.51Å; D383-P387 VanDerWaalsContact O-CA 3.24Å; D383-P387 WeakPolarHBondContact O-CA 3.36Å; D383-P387 VanDerWaalsContact O-N 3.17Å
384L87.3Confident73.4Confident76 Ų7685.6 Ų85.640%0.39847%0.471SS..Hα-helixtrans-72.8-34.2171.5-71.3-179.4000113.6V346 R380 F381 R382V346-L384 HydrophobicContact CB-CD1 4.45Å; V346-L384 HydrophobicContact CG2-CD1 3.45Å; V346-L384 VanDerWaalsContact CG2-CD1 3.45Å; R380-L384 WeakPolarHBondContact O-CG 3.29Å; R380-L384 PolarHBondContact O-N 3.29Å; F381-L384 PolarHBondContact O-N 2.99Å; R382-L384 VanDerWaalsContact C-N 3.26Å; R382-L384 PolarHBondContact O-N 3.11Å
385L87.1Confident71.7Confident3 Ų387.9 Ų87.92%0.01648%0.478CS..Hα-helixtrans-79.2-35.1179.5-68.7178.3000112.4I311 V314 M322 F371 F381 R382 Y404 P405I311-L385 HydrophobicContact CD1-CD2 3.79Å; V314-L385 HydrophobicContact CG1-CB 4.13Å; V314-L385 HydrophobicContact CG1-CD1 4.25Å; V314-L385 HydrophobicContact CG2-CB 4.35Å; V314-L385 HydrophobicContact CG2-CD1 4.44Å; V314-L385 HydrophobicContact CG2-CD2 4.13Å; M322-L385 HydrophobicContact CE-CB 4.37Å; M322-L385 HydrophobicContact CE-CD1 4.36Å; F371-L385 HydrophobicContact CE1-CD1 4.43Å; F371-L385 HydrophobicContact CZ-CD1 4.14Å; F381-L385 HydrophobicContact CD1-CD1 4.13Å; F381-L385 HydrophobicContact CD2-CD1 4.37Å; F381-L385 HydrophobicContact CD2-CG 4.28Å; F381-L385 HydrophobicContact CE1-CD1 3.74Å; F381-L385 HydrophobicContact CE2-CD1 3.97Å; F381-L385 HydrophobicContact CE2-CD2 4.05Å; F381-L385 HydrophobicContact CE2-CG 3.95Å; F381-L385 HydrophobicContact CG-CD1 4.44Å; F381-L385 HydrophobicContact CZ-CD1 3.65Å; F381-L385 HydrophobicContact CZ-CD2 4.23Å; F381-L385 HydrophobicContact CZ-CG 4.14Å; F381-L385 VanDerWaalsContact O-CG 3.31Å; F381-L385 WeakPolarHBondContact O-CG 3.41Å; F381-L385 PolarHBondContact O-N 3Å; F381-L385 VanDerWaalsContact O-N 3.1Å; R382-L385 PolarHBondContact O-N 3.17Å; L385-Y404 HydrophobicContact CD2-CD1 4.33Å; L385-P405 HydrophobicContact CD2-CG 4.25Å
386L84.9Confident69.6Low46 Ų4693.5 Ų93.524%0.24150%0.499CS..SBendtrans-132.779.1179.8-65.1179.8000108.8V314 N316 M322 R382 D383V314-L386 HydrophobicContact CG1-CD1 4.48Å; V314-L386 HydrophobicContact CG1-CD2 4.37Å; V314-L386 HydrophobicContact CG1-CG 4.22Å; N316-L386 HydrophobicContact CB-CD1 3.83Å; M322-L386 HydrophobicContact CE-CD1 3.49Å; M322-L386 VanDerWaalsContact CE-CD1 3.49Å; M322-L386 HydrophobicContact CE-CG 3.87Å; M322-L386 HydrophobicContact SD-CD1 3.91Å; R382-L386 PolarHBondContact O-N 3Å; D383-L386 CarbonylContact O-C 3.51Å
387P74Confident67.6Low91 Ų9194.4 Ų94.459%0.59151%0.511SS*.  trans-58138174.921.8-30.7000109.4D383 S389D383-P387 VanDerWaalsContact O-CA 3.24Å; D383-P387 WeakPolarHBondContact O-CA 3.36Å; D383-P387 VanDerWaalsContact O-N 3.17Å; P387-S389 PolarHBondContact O-N 2.86Å
388P63.5Low65.3Low112 Ų112102.8 Ų102.873%0.72755%0.548SS*.  trans-56.8128.6176.321.7-29.9000108.5S390P388-S390 PolarHBondContact O-N 2.71Å
389S57.6Low63.1Low105 Ų105109.3 Ų109.373%0.73458%0.581SS**  trans-57.5112.7172.350.10000107.7P387 Q391P387-S389 PolarHBondContact O-N 2.86Å; S389-Q391 PolarHBondContact O-N 3.19Å; S389-Q391 VanDerWaalsContact O-N 3.16Å
390S46.8Very low61Low92 Ų92113.6 Ų113.664%0.64360%0.601SS**  trans-52.7122.3167.546.10000107.8P388 D392P388-S390 PolarHBondContact O-N 2.71Å; S390-D392 PolarHBondContact O-N 3.39Å
391Q43.8Very low59.2Low194 Ų194111.1 Ų111.191%0.90761%0.606SS**SBendtrans-65.48.8-175.5-84.7-175.7-27.900114.8S389S389-Q391 PolarHBondContact O-N 3.19Å; S389-Q391 VanDerWaalsContact O-N 3.16Å
392D41.6Very low57.9Low152 Ų152118.4 Ų118.481%0.81363%0.633SS**  trans-117.737.5-174.2-65.8-31.8000114.2S390S390-D392 PolarHBondContact O-N 3.39Å
393S40.2Very low57.1Low94 Ų94122.4 Ų122.466%0.65766%0.66SS**  trans-14673172.5-59.20000112.3I395S393-I395 PolarHBondContact O-N 3.03Å
394E46.7Very low56.9Low196 Ų196122 Ų12292%0.91665%0.653SS**  trans-63.988.1148.5-72.7-170.1161.100108.5
395I44.5Very low57Low153 Ų153119.4 Ų119.479%0.78564%0.641SS**SBendtrans-161111.8150.2-80.5126.2000108S393S393-I395 PolarHBondContact O-N 3.03Å
396L39.1Very low57.1Low149 Ų149126.2 Ų126.278%0.7867%0.67SS**  trans50.4134.4155.8-68.9166.5000122.4F398L396-F398 PolarHBondContact O-N 2.91Å
397P41.1Very low57.4Low124 Ų124124 Ų12481%0.80566%0.659SS**  trans-83.678173.236-31.1000110.2
398F38.6Very low58.3Low181 Ų181122.4 Ų122.479%0.79464%0.641SS**  trans-121.9104.9170.9-123.5-90.6000110.2L396 Q400L396-F398 PolarHBondContact O-N 2.91Å; F398-Q400 PolarHBondContact O-N 2.85Å
399I41.8Very low59.6Low152 Ų152117.1 Ų117.178%0.77961%0.607SS**  trans22.969.4157.4-42.9175.1000114.8S401I399-S401 PolarHBondContact O-N 2.97Å
400Q44.9Very low61.1Low180 Ų180112.6 Ų112.684%0.84157%0.574SS**  trans-68.3115.1151-88.6179-14.900106.4F398 R402F398-Q400 PolarHBondContact O-N 2.85Å; Q400-R402 VanDerWaalsContact C-N 3.3Å; Q400-R402 PolarHBondContact O-N 3.44Å
401S49.5Very low63Low93 Ų93108.3 Ų108.365%0.6555%0.545SS*.  trans-59.598.9168.766.60000107.4I399 N403I399-S401 PolarHBondContact O-N 2.97Å; S401-N403 PolarHBondContact O-N 2.98Å
402R63.7Low65.1Low154 Ų154100.3 Ų100.358%0.58151%0.51SS*.  trans-62.1108.8176.8-77.5-177.4176170.9-1.6108Q400 Y404Q400-R402 VanDerWaalsContact C-N 3.3Å; Q400-R402 PolarHBondContact O-N 3.44Å; R402-Y404 HydrophobicContact CB-CE1 4.41Å; R402-Y404 HydrophobicContact CB-CE2 4.35Å; R402-Y404 PolarHBondContact O-N 3.21Å; R402-Y404 VanDerWaalsContact O-N 3.14Å
403N73.8Confident67.2Low151 Ų15193.2 Ų93.281%0.80747%0.472SS*.  trans-78.896.2172.5-79.4-13.5000108.5S401S401-N403 PolarHBondContact O-N 2.98Å
404Y85.1Confident69.2Low64 Ų6489.5 Ų89.525%0.25145%0.448SS..PPolyproline II helixtrans-68.9148.2174.5-69.2-60.5000111.8I311 V314 L385 R402I311-Y404 HydrophobicContact CB-CD1 4.5Å; I311-Y404 HydrophobicContact CB-CD2 3.74Å; I311-Y404 HydrophobicContact CB-CE2 4.36Å; I311-Y404 HydrophobicContact CB-CG 3.82Å; I311-Y404 HydrophobicContact CD1-CD1 4.25Å; I311-Y404 HydrophobicContact CD1-CG 4.02Å; I311-Y404 HydrophobicContact CG1-CG 4.43Å; I311-Y404 HydrophobicContact CG2-CD1 4.17Å; I311-Y404 HydrophobicContact CG2-CD2 3.82Å; I311-Y404 HydrophobicContact CG2-CE1 4.32Å; I311-Y404 HydrophobicContact CG2-CE2 3.97Å; I311-Y404 HydrophobicContact CG2-CG 3.93Å; V314-Y404 HydrophobicContact CB-CE1 4.47Å; V314-Y404 HydrophobicContact CG2-CD1 4.28Å; V314-Y404 HydrophobicContact CG2-CE1 3.62Å; L385-Y404 HydrophobicContact CD2-CD1 4.33Å; R402-Y404 HydrophobicContact CB-CE1 4.41Å; R402-Y404 HydrophobicContact CB-CE2 4.35Å; R402-Y404 PolarHBondContact O-N 3.21Å; R402-Y404 VanDerWaalsContact O-N 3.14Å
405P88.1Confident71Confident21 Ų2180.2 Ų80.214%0.13641%0.405CS..PPolyproline II helixtrans-65.5154.9176.728.5-35.2000111.4L385 L407L385-P405 HydrophobicContact CD2-CG 4.25Å; P405-L407 PolarHBondContact O-N 3.12Å
406K89.7Confident72.9Confident146 Ų14674 Ų7464%0.63538%0.375SS*.PPolyproline II helixtrans-66.4124.9173.2-68.1-177.9-177.9176.70109.4Y408K406-Y408 HydrophobicContact CB-CE2 4.28Å
407L91.4Very high75.2Confident0 Ų066.9 Ų66.90%034%0.337CS..EExtended strand (participates in β ladder)trans-115.2137.5176.1-70.5-175.4000111.1P308 V309 I311 L324 M326 L341 C343 F381 P405P308-L407 CarbonylContact C-O 3.53Å; P308-L407 VanDerWaalsContact CA-O 3.3Å; P308-L407 WeakPolarHBondContact CA-O 3.14Å; V309-L407 PolarHBondContact N-O 3.38Å; I311-L407 HydrophobicContact CD1-CD1 3.34Å; I311-L407 HydrophobicContact CD1-CG 3.99Å; I311-L407 HydrophobicContact CG1-CD1 3.77Å; I311-L407 HydrophobicContact CG1-CG 4.47Å; L324-L407 HydrophobicContact CD2-CD1 3.86Å; M326-L407 HydrophobicContact SD-CD1 4.27Å; L341-L407 HydrophobicContact CD1-CD1 4.45Å; L341-L407 HydrophobicContact CD2-CD2 3.9Å; C343-L407 HydrophobicContact CB-CD2 3.45Å; C343-L407 VanDerWaalsContact CB-CD2 3.45Å; C343-L407 VanDerWaalsContact SG-CD2 3.59Å; F381-L407 HydrophobicContact CE2-CD1 4.41Å; F381-L407 HydrophobicContact CE2-CD2 3.83Å; F381-L407 HydrophobicContact CZ-CD1 4.05Å; F381-L407 HydrophobicContact CZ-CD2 4.08Å; P405-L407 PolarHBondContact O-N 3.12Å
408Y92.1Very high77.3Confident57 Ų5762.3 Ų62.322%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-115.8140.3173.7-60.5-87.1000109.4S305 N306 P308 H342 P344 K406S305-Y408 WeakPolarHBondContact O-CD1 3.43Å; N306-Y408 WeakPolarHBondContact O-CE1 3.42Å; P308-Y408 HydrophobicContact CB-CD1 4.43Å; P308-Y408 HydrophobicContact CB-CE1 4.02Å; H342-Y408 PolarHBondContact N-O 3.2Å; H342-Y408 AromaticContact ND1-CD2 3.88Å; H342-Y408 PolarHBondContact O-N 3.21Å; P344-Y408 HydrophobicContact CG-CD2 3.93Å; P344-Y408 HydrophobicContact CG-CE2 3.79Å; K406-Y408 HydrophobicContact CB-CE2 4.28Å
409I91.1Very high79.5Confident1 Ų154.2 Ų54.21%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-129.4129.3-177-61180000109.7V309 M326 K328 I339 I340 F367V309-I409 HydrophobicContact CB-CD1 4.01Å; V309-I409 HydrophobicContact CB-CG1 4.34Å; V309-I409 HydrophobicContact CG1-CD1 3.84Å; V309-I409 HydrophobicContact CG2-CB 3.94Å; V309-I409 HydrophobicContact CG2-CD1 3.64Å; V309-I409 HydrophobicContact CG2-CG1 3.68Å; M326-I409 HydrophobicContact CE-CD1 3.96Å; M326-I409 HydrophobicContact SD-CD1 3.57Å; M326-I409 VanDerWaalsContact SD-CD1 3.57Å; K328-I409 PolarHBondContact NZ-O 3.38Å; I339-I409 HydrophobicContact CB-CG2 3.71Å; I339-I409 HydrophobicContact CD1-CD1 3.78Å; I339-I409 HydrophobicContact CD1-CG1 4.27Å; I339-I409 HydrophobicContact CD1-CG2 3.64Å; I339-I409 HydrophobicContact CG1-CG2 4.27Å; I339-I409 HydrophobicContact CG2-CG2 3.92Å; I340-I409 WeakPolarHBondContact O-CA 3.47Å; F367-I409 HydrophobicContact CE2-CD1 3.65Å; F367-I409 HydrophobicContact CZ-CD1 3.77Å
410D89.3Confident81.8Confident10 Ų1047 Ų475%0.05323%0.233CC..EExtended strand (participates in β ladder)trans-111127.5171.1-177.424.8000110.2R301 R304 I340 F413R301-D410 IonicContact CZ-OD2 3.85Å; R301-D410 IonicContact NE-OD1 3.69Å; R301-D410 IonicContact NE-OD2 2.78Å; R301-D410 PolarHBondContact NE-OD2 2.87Å; R301-D410 IonicContact NH2-OD2 2.72Å; R301-D410 PolarHBondContact NH2-OD2 3.45Å; R304-D410 IonicContact CZ-OD1 2.73Å; R304-D410 IonicContact NE-OD1 2.9Å; R304-D410 IonicContact NH2-OD1 3.71Å; R304-D410 PolarHBondContact NH2-OD1 3.41Å; I340-D410 HydrophobicContact CB-CB 4.32Å; I340-D410 PolarHBondContact N-O 3.43Å; I340-D410 PolarHBondContact O-N 3.46Å; D410-F413 HydrophobicContact CB-CE2 4.44Å; D410-F413 VanDerWaalsContact O-CE2 3.28Å; D410-F413 WeakPolarHBondContact O-CE2 3.46Å; D410-F413 WeakPolarHBondContact OD2-CZ 3.35Å
411G86.7Confident83.9Confident3 Ų338.8 Ų38.83%0.03120%0.195CC..EExtended strand (participates in β ladder)trans141.8-170.2-173.900000112.8R304R304-G411 PolarHBondContact NH1-O 2.85Å
412P88.7Confident85.7Confident26 Ų2637 Ų3717%0.16918%0.178CC..EExtended strand (participates in β ladder)cis-76154.1534.1-38.5000113F331 K332 A333 Q337F331-P412 HydrophobicContact CZ-CB 4.3Å; K332-P412 VanDerWaalsContact O-CG 3.32Å; K332-P412 WeakPolarHBondContact O-CG 3.3Å; A333-P412 HydrophobicContact CB-CB 4.08Å; A333-P412 HydrophobicContact CB-CG 4.21Å; Q337-P412 HydrophobicContact CB-CB 4.17Å; Q337-P412 VanDerWaalsContact OE1-CB 3.29Å
413F86.1Confident87Confident3 Ų329.8 Ų29.81%0.01315%0.151CC..EExtended strand (participates in β ladder)trans-114142.2172.5-62.8-67.5000110.4R77 Q337 Y338 I340 D410R77-F413 HydrophobicContact CB-CD1 3.79Å; R77-F413 HydrophobicContact CB-CE1 3.6Å; R77-F413 HydrophobicContact CB-CZ 4.48Å; Q337-F413 WeakPolarHBondContact CA-O 3.14Å; Q337-F413 WeakPolarHBondContact CB-O 3.36Å; Y338-F413 HydrophobicContact CD1-CB 4.11Å; Y338-F413 HydrophobicContact CD2-CB 4.24Å; Y338-F413 HydrophobicContact CD2-CD2 4.37Å; Y338-F413 HydrophobicContact CE1-CB 3.61Å; Y338-F413 HydrophobicContact CE2-CB 3.76Å; Y338-F413 AromaticContact CE2-CD2 3.89Å; Y338-F413 HydrophobicContact CE2-CD2 3.89Å; Y338-F413 HydrophobicContact CE2-CG 4.17Å; Y338-F413 HydrophobicContact CG-CB 4.4Å; Y338-F413 VanDerWaalsContact CZ-CB 3.41Å; Y338-F413 PolarHBondContact N-O 3.03Å; Y338-F413 PolarHBondContact O-N 3.12Å; I340-F413 HydrophobicContact CB-CE2 4.39Å; I340-F413 HydrophobicContact CD1-CD2 4.12Å; I340-F413 HydrophobicContact CD1-CE2 3.52Å; I340-F413 HydrophobicContact CD1-CZ 4.23Å; I340-F413 HydrophobicContact CG1-CD2 4.07Å; I340-F413 HydrophobicContact CG1-CE2 3.74Å; D410-F413 HydrophobicContact CB-CE2 4.44Å; D410-F413 VanDerWaalsContact O-CE2 3.28Å; D410-F413 WeakPolarHBondContact O-CE2 3.46Å; D410-F413 WeakPolarHBondContact OD2-CZ 3.35Å
414G81.4Confident87.8Confident15 Ų1526.7 Ų26.716%0.15513%0.131CC..  trans-79.1148.3-176.600000114.2R84 E418R84-G414 PolarHBondContact NH1-O 3.05Å; G414-E418 WeakPolarHBondContact CA-OE1 3.31Å
415S84Confident88.3Confident2 Ų223.7 Ų23.71%0.01412%0.12CC..  trans-129.2160173.786.50000112.1R84 G336 F417 E418 E575R84-S415 VanDerWaalsContact NH1-CA 3.32Å; R84-S415 VanDerWaalsContact NH1-N 3.12Å; R84-S415 PolarHBondContact NH1-O 3.37Å; R84-S415 PolarHBondContact NH2-O 3.06Å; G336-S415 WeakPolarHBondContact O-CB 3.32Å; G336-S415 PolarHBondContact O-OG 2.88Å; S415-F417 PolarHBondContact O-N 3.32Å; S415-F417 WeakPolarHBondContact OG-CB 3.43Å; S415-F417 PolarHBondContact OG-N 2.82Å; S415-F417 VanDerWaalsContact OG-N 3.09Å; S415-E418 PolarHBondContact N-OE1 2.88Å; S415-E418 WeakPolarHBondContact O-CB 2.99Å; S415-E418 PolarHBondContact O-N 3.33Å; S415-E418 VanDerWaalsContact O-N 3.12Å; S415-E575 WeakPolarHBondContact CB-OE1 3.46Å; S415-E575 PolarHBondContact OG-OE1 3.18Å
416P83.8Confident88.7Confident22 Ų2222.7 Ų22.714%0.14311%0.114CC..G310 helixtrans-51.1-25173-24.933000113.7D99 E418 E419 F545 N573D99-P416 HydrophobicContact CB-CG 4.16Å; D99-P416 WeakPolarHBondContact OD2-CG 3.49Å; P416-E418 VanDerWaalsContact C-N 3.27Å; P416-E418 PolarHBondContact O-N 3.2Å; P416-E419 PolarHBondContact O-N 3.36Å; P416-F545 WeakPolarHBondContact O-CE1 3.28Å; P416-N573 HydrophobicContact CB-CB 4.05Å
417F87.6Confident89Confident0 Ų015.8 Ų15.80%08%0.084CC..G310 helixtrans-74.3-17.4-174.6-74.3-127.5000112.7S415 E419 S420 P437 F438 I441 F545 C547 E575S415-F417 PolarHBondContact O-N 3.32Å; S415-F417 WeakPolarHBondContact OG-CB 3.43Å; S415-F417 PolarHBondContact OG-N 2.82Å; S415-F417 VanDerWaalsContact OG-N 3.09Å; F417-E419 PolarHBondContact O-N 3.36Å; F417-E419 VanDerWaalsContact O-N 3.17Å; F417-S420 VanDerWaalsContact O-CB 3.24Å; F417-S420 WeakPolarHBondContact O-CB 3.28Å; F417-S420 PolarHBondContact O-N 3.14Å; F417-S420 PolarHBondContact O-OG 3.21Å; F417-P437 HydrophobicContact CD1-CB 3.5Å; F417-P437 VanDerWaalsContact CD1-CB 3.5Å; F417-P437 HydrophobicContact CD1-CG 4.32Å; F417-P437 HydrophobicContact CE1-CB 3.84Å; F417-P437 HydrophobicContact CE1-CG 4.21Å; F417-P437 HydrophobicContact CG-CB 4.17Å; F417-F438 HydrophobicContact CD1-CD1 4.18Å; F417-F438 AromaticContact CD1-CE1 3.68Å; F417-F438 HydrophobicContact CD1-CE1 3.68Å; F417-F438 HydrophobicContact CD1-CZ 4.05Å; F417-F438 HydrophobicContact CE1-CD1 4.17Å; F417-F438 AromaticContact CE1-CE1 3.39Å; F417-F438 HydrophobicContact CE1-CE1 3.39Å; F417-F438 AromaticContact CE1-CE2 3.87Å; F417-F438 HydrophobicContact CE1-CE2 3.87Å; F417-F438 AromaticContact CE1-CZ 3.27Å; F417-F438 HydrophobicContact CE1-CZ 3.27Å; F417-F438 HydrophobicContact CZ-CE1 4.45Å; F417-F438 HydrophobicContact CZ-CZ 4.07Å; F417-I441 HydrophobicContact CB-CD1 4.33Å; F417-I441 HydrophobicContact CD1-CD1 4.35Å; F417-F545 HydrophobicContact CD1-CB 4.35Å; F417-F545 HydrophobicContact CD2-CD1 4.26Å; F417-F545 HydrophobicContact CE1-CB 4.07Å; F417-F545 HydrophobicContact CE2-CB 4.38Å; F417-F545 HydrophobicContact CE2-CD1 4.48Å; F417-F545 HydrophobicContact CG-CD1 4.35Å; F417-F545 HydrophobicContact CZ-CB 4.05Å; F417-C547 HydrophobicContact CE1-CB 4.05Å; F417-C547 HydrophobicContact CZ-CB 3.78Å; F417-E575 HydrophobicContact CD2-CB 3.65Å; F417-E575 HydrophobicContact CD2-CG 4.49Å; F417-E575 VanDerWaalsContact CD2-OE2 3.29Å; F417-E575 WeakPolarHBondContact CD2-OE2 3.17Å; F417-E575 HydrophobicContact CE2-CB 3.16Å; F417-E575 HydrophobicContact CE2-CG 4.36Å; F417-E575 WeakPolarHBondContact CG-OE2 3.29Å; F417-E575 HydrophobicContact CZ-CB 3.77Å
418E86.3Confident89.2Confident28 Ų2815.9 Ų15.913%0.1318%0.084CC..G310 helixtrans-56-28.5169.1-73-171.8-123.200112.4R84 R334 P335 Q337 G414 S415 P416 S420R84-E418 IonicContact NE-OE1 2.67Å; R334-E418 IonicContact CZ-OE2 2.72Å; R334-E418 VanDerWaalsContact CZ-OE2 3.24Å; R334-E418 IonicContact NE-OE2 3.62Å; R334-E418 PolarHBondContact NE-OE2 3.32Å; R334-E418 IonicContact NH2-OE1 3.95Å; R334-E418 IonicContact NH2-OE2 3.78Å; R334-E418 PolarHBondContact NH2-OE2 3.13Å; P335-E418 WeakPolarHBondContact O-CG 3.21Å; Q337-E418 HydrophobicContact CG-CG 3.75Å; Q337-E418 WeakPolarHBondContact CG-OE1 3.23Å; Q337-E418 VanDerWaalsContact NE2-CD 3.33Å; Q337-E418 PolarHBondContact NE2-OE1 2.91Å; Q337-E418 PolarHBondContact NE2-OE2 2.73Å; G414-E418 WeakPolarHBondContact CA-OE1 3.31Å; S415-E418 PolarHBondContact N-OE1 2.88Å; S415-E418 WeakPolarHBondContact O-CB 2.99Å; S415-E418 PolarHBondContact O-N 3.33Å; S415-E418 VanDerWaalsContact O-N 3.12Å; P416-E418 VanDerWaalsContact C-N 3.27Å; P416-E418 PolarHBondContact O-N 3.2Å; E418-S420 VanDerWaalsContact C-N 3.33Å
419E85.6Confident89.3Confident10 Ų1013.2 Ų13.25%0.0477%0.074CC..G310 helixtrans-83-8.5-180-68.6-123150.700113.5R92 R95 P416 F417 L421 N422 Y423R92-E419 WeakPolarHBondContact CD-OE2 3.47Å; R92-E419 VanDerWaalsContact CG-OE2 3.31Å; R92-E419 WeakPolarHBondContact CG-OE2 3.28Å; R95-E419 WeakPolarHBondContact CD-OE1 3.47Å; R95-E419 IonicContact CZ-OE1 3.62Å; R95-E419 IonicContact NE-OE1 3.12Å; R95-E419 IonicContact NH1-OE1 4Å; R95-E419 PolarHBondContact NH1-OE1 3.3Å; P416-E419 PolarHBondContact O-N 3.36Å; F417-E419 PolarHBondContact O-N 3.36Å; F417-E419 VanDerWaalsContact O-N 3.17Å; E419-L421 PolarHBondContact O-N 3.38Å; E419-L421 VanDerWaalsContact O-N 3.14Å; E419-N422 WeakPolarHBondContact O-CB 3.05Å; E419-N422 PolarHBondContact O-N 2.99Å; E419-Y423 HydrophobicContact CB-CE2 4.04Å; E419-Y423 VanDerWaalsContact O-CD2 3.24Å; E419-Y423 WeakPolarHBondContact O-CD2 3.5Å
420S88.4Confident89.5Confident2 Ų213.2 Ų13.21%0.0147%0.074CC..G310 helixtrans-56.7-33.3-174.261.40000114.2F417 E418 N422 S426 I441 F545F417-S420 VanDerWaalsContact O-CB 3.24Å; F417-S420 WeakPolarHBondContact O-CB 3.28Å; F417-S420 PolarHBondContact O-N 3.14Å; F417-S420 PolarHBondContact O-OG 3.21Å; E418-S420 VanDerWaalsContact C-N 3.33Å; S420-N422 VanDerWaalsContact C-N 3.35Å; S420-S426 PolarHBondContact O-OG 3Å; S420-I441 WeakPolarHBondContact OG-CD1 3.47Å; S420-F545 VanDerWaalsContact CA-CZ 3.42Å
421L88.9Confident89.6Confident6 Ų613.1 Ų13.13%0.0318%0.075CC..G310 helixtrans-82.4-12177.8-62.4177.1000113.4E419 I441 T444 L445 Y452 K453 L454E419-L421 PolarHBondContact O-N 3.38Å; E419-L421 VanDerWaalsContact O-N 3.14Å; L421-I441 HydrophobicContact CD2-CG2 3.65Å; L421-I441 HydrophobicContact CG-CG2 4.1Å; L421-T444 HydrophobicContact CD1-CG2 4.06Å; L421-L445 HydrophobicContact CD2-CD1 4.17Å; L421-L445 HydrophobicContact CD2-CD2 3.72Å; L421-L445 HydrophobicContact CD2-CG 3.93Å; L421-Y452 HydrophobicContact CB-CD1 3.45Å; L421-Y452 VanDerWaalsContact CB-CD1 3.45Å; L421-Y452 HydrophobicContact CB-CE1 3.98Å; L421-Y452 HydrophobicContact CB-CG 3.82Å; L421-Y452 HydrophobicContact CD1-CD1 3.86Å; L421-Y452 HydrophobicContact CD1-CD2 4.19Å; L421-Y452 HydrophobicContact CD1-CE1 3.59Å; L421-Y452 HydrophobicContact CD1-CE2 3.96Å; L421-Y452 HydrophobicContact CD1-CG 4.15Å; L421-Y452 HydrophobicContact CG-CD1 4.25Å; L421-Y452 HydrophobicContact CG-CE1 4.42Å; L421-Y452 HydrophobicContact CG-CG 4.43Å; L421-K453 PolarHBondContact O-N 3.43Å; L421-L454 HydrophobicContact CD2-CD2 3.84Å; L421-L454 PolarHBondContact O-N 2.91Å
422N88.8Confident89.7Confident57 Ų5714.4 Ų14.431%0.3059%0.088SC..G310 helixtrans-92.9-8.8-177.2-69.7-30.8000113.8R92 E419 S420R92-N422 PolarHBondContact NH2-O 2.91Å; E419-N422 WeakPolarHBondContact O-CB 3.05Å; E419-N422 PolarHBondContact O-N 2.99Å; S420-N422 VanDerWaalsContact C-N 3.35Å
423Y90.3Very high89.7Confident2 Ų216 Ų161%0.00810%0.095CC..SBendtrans-83.1148.5169.5-71.7-102.6000109.9E419 V425 L454 T541 F545 E571E419-Y423 HydrophobicContact CB-CE2 4.04Å; E419-Y423 VanDerWaalsContact O-CD2 3.24Å; E419-Y423 WeakPolarHBondContact O-CD2 3.5Å; Y423-V425 VanDerWaalsContact C-N 3.26Å; Y423-V425 WeakPolarHBondContact CB-O 3.44Å; Y423-V425 PolarHBondContact O-N 3.24Å; Y423-L454 WeakPolarHBondContact O-CA 3.35Å; Y423-L454 WeakPolarHBondContact O-CD1 3.38Å; Y423-L454 PolarHBondContact O-N 2.94Å; Y423-T541 HydrophobicContact CE1-CG2 4.31Å; Y423-F545 HydrophobicContact CD2-CE2 4.15Å; Y423-F545 AromaticContact CD2-CZ 3.84Å; Y423-F545 HydrophobicContact CD2-CZ 3.84Å; Y423-F545 HydrophobicContact CE2-CE2 4.34Å; Y423-F545 AromaticContact CE2-CZ 3.66Å; Y423-F545 HydrophobicContact CE2-CZ 3.66Å; Y423-E571 HydrophobicContact CE1-CB 4.36Å; Y423-E571 PolarHBondContact OH-OE2 3.34Å
424E91.6Very high89.8Confident85 Ų8516.3 Ų16.340%0.39710%0.099SC..SBendtrans-66.3-34.1170.9-65.6-173.7179.700111.7R455 R456E424-R455 PolarHBondContact O-N 2.99Å; E424-R456 PolarHBondContact O-N 3.19Å
425V94.9Very high90.2Very high2 Ų215.6 Ų15.61%0.0129%0.091CC..EExtended strand (participates in β ladder)trans-133.8125.4179-173.40000108.9Y423 R456 Y458 N537 K540 V542 G543Y423-V425 VanDerWaalsContact C-N 3.26Å; Y423-V425 WeakPolarHBondContact CB-O 3.44Å; Y423-V425 PolarHBondContact O-N 3.24Å; V425-R456 WeakPolarHBondContact CA-O 3.3Å; V425-R456 HydrophobicContact CG1-CB 4.48Å; V425-Y458 HydrophobicContact CG1-CD2 4Å; V425-Y458 HydrophobicContact CG1-CE2 3.67Å; V425-N537 WeakPolarHBondContact CG2-OD1 3.25Å; V425-K540 HydrophobicContact CG2-CD 4.26Å; V425-V542 HydrophobicContact CB-CG2 4.12Å; V425-V542 HydrophobicContact CG1-CG1 4.14Å; V425-V542 HydrophobicContact CG1-CG2 3.97Å; V425-V542 WeakPolarHBondContact O-CA 3.37Å; V425-G543 PolarHBondContact O-N 2.63Å
426S95.8Very high90.6Very high0 Ų016 Ų160%09%0.094CC..EExtended strand (participates in β ladder)trans-122.8135.5178.8-72.10000111S420 R456 Y458 G543S420-S426 PolarHBondContact O-OG 3Å; S426-R456 PolarHBondContact N-O 2.83Å; S426-R456 VanDerWaalsContact N-O 3.07Å; S426-Y458 PolarHBondContact O-N 3.45Å; S426-G543 CarbonylContact C-O 3.59Å; S426-G543 WeakPolarHBondContact CA-O 3.32Å
427L96.2Very high90.9Very high1 Ų115 Ų151%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-110.1107.2171.5171.959.7000108.5V429 Y458 I460 F530 I533 V542 G543 V544 F545L427-V429 HydrophobicContact CD1-CG2 4.05Å; L427-V429 HydrophobicContact CD2-CG2 4.48Å; L427-V429 HydrophobicContact CG-CG2 4Å; L427-Y458 CarbonylContact C-O 3.58Å; L427-Y458 WeakPolarHBondContact CA-O 3.49Å; L427-I460 HydrophobicContact CD1-CD1 3.79Å; L427-I460 HydrophobicContact CD1-CG1 4.15Å; L427-F530 HydrophobicContact CD2-CD2 4.41Å; L427-F530 HydrophobicContact CD2-CE2 3.69Å; L427-F530 HydrophobicContact CD2-CZ 3.86Å; L427-I533 HydrophobicContact CD1-CD1 3.91Å; L427-I533 HydrophobicContact CD2-CD1 3.96Å; L427-I533 HydrophobicContact CG-CD1 4.44Å; L427-V542 HydrophobicContact CB-CG1 4.05Å; L427-G543 PolarHBondContact N-O 3.24Å; L427-V544 HydrophobicContact CB-CG2 4.38Å; L427-V544 HydrophobicContact CD2-CG1 4.15Å; L427-V544 HydrophobicContact CD2-CG2 4.19Å; L427-V544 HydrophobicContact CG-CG1 4.41Å; L427-V544 CarbonylContact O-C 3.54Å; L427-V544 WeakPolarHBondContact O-CA 3.28Å; L427-F545 PolarHBondContact O-N 3.01Å
428C95.6Very high91.1Very high1 Ų115 Ų151%0.0079%0.087CC..EExtended strand (participates in β ladder)trans-101.8113.5-179.1-70.20000109.5F438 L457 Y458 F459 I460C428-F438 HydrophobicContact CB-CD1 3.53Å; C428-F438 HydrophobicContact CB-CE1 3.23Å; C428-F438 HydrophobicContact CB-CE2 4.47Å; C428-F438 HydrophobicContact CB-CG 4.27Å; C428-F438 HydrophobicContact CB-CZ 3.72Å; C428-F438 VanDerWaalsContact SG-CD1 3.57Å; C428-F438 WeakPolarHBondContact SG-CE1 3.5Å; C428-L457 HydrophobicContact CB-CD1 4.38Å; C428-L457 VanDerWaalsContact SG-CD1 3.56Å; C428-Y458 PolarHBondContact N-O 3.41Å; C428-F459 HydrophobicContact CB-CD2 3.99Å; C428-F459 WeakPolarHBondContact O-CA 3.41Å; C428-I460 PolarHBondContact O-N 2.88Å
429V95.6Very high91.3Very high1 Ų113.8 Ų13.81%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-115.1115.6179.8-173.40000110.5L427 I460 W526 F545 C546 C547 I552 L556L427-V429 HydrophobicContact CD1-CG2 4.05Å; L427-V429 HydrophobicContact CD2-CG2 4.48Å; L427-V429 HydrophobicContact CG-CG2 4Å; V429-I460 CarbonylContact C-O 3.59Å; V429-I460 WeakPolarHBondContact CA-O 3.39Å; V429-I460 HydrophobicContact CG2-CB 4.4Å; V429-W526 HydrophobicContact CG1-CH2 3.42Å; V429-W526 VanDerWaalsContact CG1-CH2 3.42Å; V429-W526 HydrophobicContact CG1-CZ2 4.36Å; V429-W526 HydrophobicContact CG1-CZ3 3.83Å; V429-W526 HydrophobicContact CG2-CZ3 4.16Å; V429-F545 PolarHBondContact N-O 3.09Å; V429-C546 WeakPolarHBondContact O-CA 3.35Å; V429-C547 PolarHBondContact O-N 3.38Å; V429-I552 HydrophobicContact CG1-CG2 4.18Å; V429-L556 HydrophobicContact CB-CD1 3.87Å; V429-L556 HydrophobicContact CG1-CD1 3.9Å; V429-L556 HydrophobicContact CG2-CD1 3.92Å
430A93.7Very high91.6Very high1 Ų113.4 Ų13.41%0.0088%0.08CC..EExtended strand (participates in β ladder)trans-108.3142.6177.700000111.7V435 F438 I460 W461 V462 C547A430-V435 HydrophobicContact CB-CB 3.87Å; A430-V435 HydrophobicContact CB-CG2 4.23Å; A430-F438 HydrophobicContact CB-CD2 3.84Å; A430-F438 HydrophobicContact CB-CE2 3.8Å; A430-I460 PolarHBondContact N-O 2.88Å; A430-W461 HydrophobicContact CB-CB 4.34Å; A430-W461 VanDerWaalsContact CB-CD1 3.47Å; A430-W461 HydrophobicContact CB-CG 4.03Å; A430-V462 PolarHBondContact O-N 3.47Å; A430-C547 CarbonylContact C-O 3.53Å; A430-C547 WeakPolarHBondContact CA-O 3.24Å
431G91.8Very high91.7Very high8 Ų813.4 Ų13.48%0.0828%0.08CC..EExtended strand (participates in β ladder)trans-125.5118.3169.800000112I433 G434 V462 C547G431-I433 PolarHBondContact O-N 2.81Å; G431-G434 PolarHBondContact O-N 2.86Å; G431-V462 WeakPolarHBondContact CA-O 3.14Å; G431-C547 PolarHBondContact N-O 2.84Å
432G88.8Confident91.9Very high30 Ų3013.2 Ų13.231%0.3098%0.079SC..G310 helixtrans58.2-130-178.400000112.5G434 W461 V462G432-G434 PolarHBondContact O-N 2.87Å; G432-W461 PolarHBondContact O-NE1 3.36Å; G432-V462 PolarHBondContact N-O 2.88Å
433I87.9Confident92Very high61 Ų6112.4 Ų12.431%0.3138%0.075SC..G310 helixtrans-64.8-13.5176.5-165.461.2000113.2V321 K372 G431 V435 T436 W471V321-I433 HydrophobicContact CG1-CD1 4.06Å; V321-I433 HydrophobicContact CG2-CD1 4.02Å; K372-I433 HydrophobicContact CB-CB 4.17Å; K372-I433 HydrophobicContact CB-CD1 4.13Å; K372-I433 HydrophobicContact CB-CG1 3.87Å; K372-I433 HydrophobicContact CB-CG2 4.49Å; G431-I433 PolarHBondContact O-N 2.81Å; I433-V435 PolarHBondContact O-N 3.08Å; I433-T436 HydrophobicContact CD1-CG2 3.88Å; I433-T436 HydrophobicContact CG1-CG2 4.16Å; I433-T436 WeakPolarHBondContact O-CG2 3.27Å; I433-T436 PolarHBondContact O-N 3.39Å; I433-T436 PolarHBondContact O-OG1 2.93Å; I433-W471 HydrophobicContact CD1-CZ2 4.3Å
434G88.7Confident92Very high8 Ų813.3 Ų13.38%0.0828%0.081CC..G310 helixtrans-62.73.8175.400000115.1G431 G432 T436 P437 C547G431-G434 PolarHBondContact O-N 2.86Å; G432-G434 PolarHBondContact O-N 2.87Å; G434-T436 VanDerWaalsContact C-N 3.31Å; G434-P437 VanDerWaalsContact O-CD 3.31Å; G434-P437 WeakPolarHBondContact O-CD 3.26Å; G434-C547 WeakPolarHBondContact CA-SG 3.23Å; G434-C547 VanDerWaalsContact O-CB 3.24Å; G434-C547 WeakPolarHBondContact O-CB 3.45Å; G434-C547 PolarHBondContact O-SG 3.2Å
435V90.8Very high91.9Very high0 Ų09.3 Ų9.30%06%0.062CC..G310 helixtrans-73.3-20.7170.767.40000113.4A430 I433 P437 F438 A439 F459 W461 W471 F472A430-V435 HydrophobicContact CB-CB 3.87Å; A430-V435 HydrophobicContact CB-CG2 4.23Å; I433-V435 PolarHBondContact O-N 3.08Å; V435-P437 VanDerWaalsContact C-CD 3.4Å; V435-F438 WeakPolarHBondContact O-CA 3.43Å; V435-F438 WeakPolarHBondContact O-CB 3.5Å; V435-F438 PolarHBondContact O-N 3.44Å; V435-A439 PolarHBondContact O-N 2.92Å; V435-F459 HydrophobicContact CG2-CE2 4.23Å; V435-F459 HydrophobicContact CG2-CZ 3.71Å; V435-W461 HydrophobicContact CB-CD2 4.19Å; V435-W461 HydrophobicContact CB-CZ2 3.95Å; V435-W461 HydrophobicContact CG1-CH2 4.14Å; V435-W461 HydrophobicContact CG1-CZ2 3.51Å; V435-W461 HydrophobicContact CG2-CD2 4Å; V435-W461 HydrophobicContact CG2-CE3 4.3Å; V435-W461 HydrophobicContact CG2-CG 4.43Å; V435-W461 HydrophobicContact CG2-CZ2 4.26Å; V435-W471 HydrophobicContact CG1-CH2 3.58Å; V435-W471 HydrophobicContact CG1-CZ2 3.28Å; V435-F472 HydrophobicContact CG2-CD1 3.77Å; V435-F472 HydrophobicContact CG2-CE1 3.56Å; V435-F472 HydrophobicContact CG2-CG 4.33Å; V435-F472 HydrophobicContact CG2-CZ 3.97Å
436T91.1Very high91.7Very high12 Ų1211 Ų117%0.0747%0.071CC..Hα-helixtrans-54.8-37.8-172.652.10000115.5T357 H370 I433 G434 F438 A439 W471T357-T436 HydrophobicContact CG2-CG2 4.04Å; H370-T436 HydrophobicContact CB-CG2 3.82Å; I433-T436 HydrophobicContact CD1-CG2 3.88Å; I433-T436 HydrophobicContact CG1-CG2 4.16Å; I433-T436 WeakPolarHBondContact O-CG2 3.27Å; I433-T436 PolarHBondContact O-N 3.39Å; I433-T436 PolarHBondContact O-OG1 2.93Å; G434-T436 VanDerWaalsContact C-N 3.31Å; T436-F438 VanDerWaalsContact C-N 3.26Å; T436-F438 PolarHBondContact O-N 3.25Å; T436-A439 VanDerWaalsContact O-CB 3.24Å; T436-A439 WeakPolarHBondContact O-CB 3.22Å; T436-A439 PolarHBondContact O-N 3.27Å; T436-W471 HydrophobicContact CG2-CH2 4.12Å
437P90.5Very high91.3Very high0 Ų015.5 Ų15.50%010%0.095CC..Hα-helixtrans-64.4-33.4175.1-18.432.7000112.7T355 F417 G434 V435 A439 S440 C547 E575T355-P437 HydrophobicContact CG2-CB 3.82Å; T355-P437 HydrophobicContact CG2-CG 3.93Å; F417-P437 HydrophobicContact CD1-CB 3.5Å; F417-P437 VanDerWaalsContact CD1-CB 3.5Å; F417-P437 HydrophobicContact CD1-CG 4.32Å; F417-P437 HydrophobicContact CE1-CB 3.84Å; F417-P437 HydrophobicContact CE1-CG 4.21Å; F417-P437 HydrophobicContact CG-CB 4.17Å; G434-P437 VanDerWaalsContact O-CD 3.31Å; G434-P437 WeakPolarHBondContact O-CD 3.26Å; V435-P437 VanDerWaalsContact C-CD 3.4Å; P437-A439 VanDerWaalsContact C-N 3.31Å; P437-S440 PolarHBondContact O-OG 3.03Å; P437-C547 HydrophobicContact CG-CB 4.27Å; P437-E575 WeakPolarHBondContact CG-OE2 3.4Å
438F92.1Very high90.9Very high1 Ų119 Ų190%0.00411%0.113CC..Hα-helixtrans-74.2-23.7178.1-55.1-64.9000112.3F417 C428 A430 V435 T436 S440 I441 L442 F459 F545 C547F417-F438 HydrophobicContact CD1-CD1 4.18Å; F417-F438 AromaticContact CD1-CE1 3.68Å; F417-F438 HydrophobicContact CD1-CE1 3.68Å; F417-F438 HydrophobicContact CD1-CZ 4.05Å; F417-F438 HydrophobicContact CE1-CD1 4.17Å; F417-F438 AromaticContact CE1-CE1 3.39Å; F417-F438 HydrophobicContact CE1-CE1 3.39Å; F417-F438 AromaticContact CE1-CE2 3.87Å; F417-F438 HydrophobicContact CE1-CE2 3.87Å; F417-F438 AromaticContact CE1-CZ 3.27Å; F417-F438 HydrophobicContact CE1-CZ 3.27Å; F417-F438 HydrophobicContact CZ-CE1 4.45Å; F417-F438 HydrophobicContact CZ-CZ 4.07Å; C428-F438 HydrophobicContact CB-CD1 3.53Å; C428-F438 HydrophobicContact CB-CE1 3.23Å; C428-F438 HydrophobicContact CB-CE2 4.47Å; C428-F438 HydrophobicContact CB-CG 4.27Å; C428-F438 HydrophobicContact CB-CZ 3.72Å; C428-F438 VanDerWaalsContact SG-CD1 3.57Å; C428-F438 WeakPolarHBondContact SG-CE1 3.5Å; A430-F438 HydrophobicContact CB-CD2 3.84Å; A430-F438 HydrophobicContact CB-CE2 3.8Å; V435-F438 WeakPolarHBondContact O-CA 3.43Å; V435-F438 WeakPolarHBondContact O-CB 3.5Å; V435-F438 PolarHBondContact O-N 3.44Å; T436-F438 VanDerWaalsContact C-N 3.26Å; T436-F438 PolarHBondContact O-N 3.25Å; F438-S440 VanDerWaalsContact C-N 3.34Å; F438-S440 PolarHBondContact O-N 3.27Å; F438-I441 HydrophobicContact CD1-CD1 3.9Å; F438-I441 PolarHBondContact O-N 2.59Å; F438-L442 WeakPolarHBondContact O-CB 3.49Å; F438-L442 VanDerWaalsContact O-CG 3.29Å; F438-L442 WeakPolarHBondContact O-CG 3.38Å; F438-L442 PolarHBondContact O-N 3.29Å; F438-F459 HydrophobicContact CB-CD2 4.43Å; F438-F459 HydrophobicContact CB-CE2 3.79Å; F438-F459 HydrophobicContact CD2-CE2 4.07Å; F438-F459 HydrophobicContact CG-CD2 4.48Å; F438-F459 AromaticContact CG-CE2 4Å; F438-F459 HydrophobicContact CG-CE2 4Å; F438-F545 HydrophobicContact CE1-CB 3.91Å; F438-F545 HydrophobicContact CZ-CB 4.13Å; F438-C547 HydrophobicContact CE2-CB 4.46Å
439A91.5Very high90.4Very high2 Ų220.2 Ų20.22%0.01712%0.118CC..Hα-helixtrans-54.6-49173.800000112.4T357 V435 T436 P437 I441 L442 N443 F472T357-A439 HydrophobicContact CG2-CB 3.9Å; T357-A439 CarbonylContact O-C 3.4Å; V435-A439 PolarHBondContact O-N 2.92Å; T436-A439 VanDerWaalsContact O-CB 3.24Å; T436-A439 WeakPolarHBondContact O-CB 3.22Å; T436-A439 PolarHBondContact O-N 3.27Å; P437-A439 VanDerWaalsContact C-N 3.31Å; A439-I441 VanDerWaalsContact C-N 3.34Å; A439-I441 PolarHBondContact O-N 3.39Å; A439-L442 PolarHBondContact O-N 3.17Å; A439-N443 WeakPolarHBondContact O-CB 3.18Å; A439-N443 PolarHBondContact O-N 2.94Å; A439-N443 PolarHBondContact O-ND2 3.36Å; A439-F472 VanDerWaalsContact CA-CE2 3.49Å; A439-F472 HydrophobicContact CB-CD2 4.37Å; A439-F472 HydrophobicContact CB-CE2 3.38Å; A439-F472 HydrophobicContact CB-CZ 3.96Å
440S90.6Very high89.9Confident1 Ų127.5 Ų27.51%0.00715%0.149CC..Hα-helixtrans-64.8-39.8177.858.90000112.3G336 L356 T357 P437 F438 N443 T444G336-S440 PolarHBondContact N-OG 3.07Å; L356-S440 VanDerWaalsContact O-CB 3.22Å; L356-S440 WeakPolarHBondContact O-CB 3.4Å; L356-S440 PolarHBondContact O-OG 3.28Å; T357-S440 VanDerWaalsContact O-CA 3.24Å; T357-S440 WeakPolarHBondContact O-CA 3.24Å; T357-S440 PolarHBondContact O-N 3.06Å; P437-S440 PolarHBondContact O-OG 3.03Å; F438-S440 VanDerWaalsContact C-N 3.34Å; F438-S440 PolarHBondContact O-N 3.27Å; S440-N443 PolarHBondContact O-N 3.45Å; S440-T444 WeakPolarHBondContact O-CB 3.31Å; S440-T444 PolarHBondContact O-N 3.26Å; S440-T444 PolarHBondContact O-OG1 3.31Å
441I91.4Very high89.7Confident2 Ų231.8 Ų31.81%0.0118%0.177CC..Hα-helixtrans-61.7-47.8177.8-64.1163.4000110.7P335 F417 S420 L421 F438 A439 T444 L445P335-I441 HydrophobicContact CB-CG1 4.4Å; F417-I441 HydrophobicContact CB-CD1 4.33Å; F417-I441 HydrophobicContact CD1-CD1 4.35Å; S420-I441 WeakPolarHBondContact OG-CD1 3.47Å; L421-I441 HydrophobicContact CD2-CG2 3.65Å; L421-I441 HydrophobicContact CG-CG2 4.1Å; F438-I441 HydrophobicContact CD1-CD1 3.9Å; F438-I441 PolarHBondContact O-N 2.59Å; A439-I441 VanDerWaalsContact C-N 3.34Å; A439-I441 PolarHBondContact O-N 3.39Å; I441-T444 PolarHBondContact O-N 2.99Å; I441-L445 WeakPolarHBondContact O-CG 3.43Å; I441-L445 PolarHBondContact O-N 3.03Å; I441-L445 VanDerWaalsContact O-N 3.08Å
442L92.5Very high89.5Confident2 Ų234.7 Ų34.71%0.0119%0.186CC..Hα-helixtrans-69-39.5-179.6-63.8-169.3000112F438 A439 T444 L445 L446 L457 F472 L475 L476 L479F438-L442 WeakPolarHBondContact O-CB 3.49Å; F438-L442 VanDerWaalsContact O-CG 3.29Å; F438-L442 WeakPolarHBondContact O-CG 3.38Å; F438-L442 PolarHBondContact O-N 3.29Å; A439-L442 PolarHBondContact O-N 3.17Å; L442-T444 VanDerWaalsContact C-N 3.3Å; L442-T444 PolarHBondContact O-N 3.21Å; L442-L445 HydrophobicContact CD2-CD1 4.33Å; L442-L445 PolarHBondContact O-N 3.49Å; L442-L446 PolarHBondContact O-N 2.73Å; L442-L457 HydrophobicContact CD2-CD2 3.6Å; L442-F472 HydrophobicContact CD1-CE1 3.69Å; L442-F472 HydrophobicContact CD1-CZ 3.73Å; L442-F472 HydrophobicContact CG-CZ 4.48Å; L442-L475 HydrophobicContact CB-CD2 4.03Å; L442-L475 HydrophobicContact CB-CG 4.44Å; L442-L476 HydrophobicContact CD1-CD2 3.52Å; L442-L479 HydrophobicContact CB-CD2 4.17Å; L442-L479 HydrophobicContact CD1-CD2 4.33Å; L442-L479 HydrophobicContact CD2-CD2 3.72Å; L442-L479 HydrophobicContact CG-CD2 4.27Å
443N90.8Very high89.6Confident41 Ų4139.9 Ų39.922%0.21920%0.2CC..Hα-helixtrans-58.8-42.7172.4-83.3-39.4000111.4T357 A439 S440 L445 L446 D447 L475T357-N443 PolarHBondContact O-ND2 3.25Å; A439-N443 WeakPolarHBondContact O-CB 3.18Å; A439-N443 PolarHBondContact O-N 2.94Å; A439-N443 PolarHBondContact O-ND2 3.36Å; S440-N443 PolarHBondContact O-N 3.45Å; N443-L445 PolarHBondContact O-N 2.99Å; N443-L446 WeakPolarHBondContact O-CB 3.45Å; N443-L446 PolarHBondContact O-N 2.94Å; N443-L446 VanDerWaalsContact O-N 3.14Å; N443-D447 PolarHBondContact O-N 2.85Å; N443-L475 WeakPolarHBondContact OD1-CD1 3.4Å; N443-L475 WeakPolarHBondContact OD1-CD2 3.42Å
444T90Very high89.8Confident21 Ų2137.2 Ų37.213%0.12919%0.186CC..Hα-helixtrans-64.3-38.9176.4-620000112.9P335 L421 S440 I441 L442 L446 D447 D448 Y452P335-T444 HydrophobicContact CG-CG2 3.97Å; P335-T444 WeakPolarHBondContact CG-OG1 3.41Å; L421-T444 HydrophobicContact CD1-CG2 4.06Å; S440-T444 WeakPolarHBondContact O-CB 3.31Å; S440-T444 PolarHBondContact O-N 3.26Å; S440-T444 PolarHBondContact O-OG1 3.31Å; I441-T444 PolarHBondContact O-N 2.99Å; L442-T444 VanDerWaalsContact C-N 3.3Å; L442-T444 PolarHBondContact O-N 3.21Å; T444-L446 VanDerWaalsContact C-N 3.28Å; T444-L446 PolarHBondContact O-N 3.18Å; T444-D447 PolarHBondContact O-N 3.13Å; T444-D448 CarbonylContact O-C 3.56Å; T444-D448 PolarHBondContact O-N 3.45Å; T444-D448 VanDerWaalsContact O-O 3.11Å; T444-Y452 HydrophobicContact CG2-CE2 3.59Å; T444-Y452 WeakPolarHBondContact CG2-OH 3.33Å
445L90.8Very high89.9Confident0 Ų044.8 Ų44.80%021%0.212CC..Hα-helixtrans-66.7-32.5173.5-68175.1000112.2L421 I441 L442 N443 D447 W449 L454 L457 L479 K482 Y491L421-L445 HydrophobicContact CD2-CD1 4.17Å; L421-L445 HydrophobicContact CD2-CD2 3.72Å; L421-L445 HydrophobicContact CD2-CG 3.93Å; I441-L445 WeakPolarHBondContact O-CG 3.43Å; I441-L445 PolarHBondContact O-N 3.03Å; I441-L445 VanDerWaalsContact O-N 3.08Å; L442-L445 HydrophobicContact CD2-CD1 4.33Å; L442-L445 PolarHBondContact O-N 3.49Å; N443-L445 PolarHBondContact O-N 2.99Å; L445-D447 VanDerWaalsContact C-N 3.32Å; L445-W449 HydrophobicContact CD2-CB 3.75Å; L445-L454 HydrophobicContact CD1-CD2 4.14Å; L445-L454 HydrophobicContact CD2-CD2 4.31Å; L445-L457 HydrophobicContact CD1-CD2 3.76Å; L445-L479 HydrophobicContact CB-CD1 3.98Å; L445-K482 PolarHBondContact O-NZ 2.9Å; L445-Y491 HydrophobicContact CD2-CE1 4.21Å
446L90.1Very high90Very high39 Ų3948.2 Ų48.220%0.20423%0.225CC..Hα-helixtrans-67.8-32.2173.9-17170.5000111.9L442 N443 T444 L475 M478 L479 K482L442-L446 PolarHBondContact O-N 2.73Å; N443-L446 WeakPolarHBondContact O-CB 3.45Å; N443-L446 PolarHBondContact O-N 2.94Å; N443-L446 VanDerWaalsContact O-N 3.14Å; T444-L446 VanDerWaalsContact C-N 3.28Å; T444-L446 PolarHBondContact O-N 3.18Å; L446-L475 HydrophobicContact CD2-CD1 3.83Å; L446-M478 HydrophobicContact CD1-CB 4.08Å; L446-M478 HydrophobicContact CD2-CB 4.25Å; L446-M478 HydrophobicContact CD2-CE 4.28Å; L446-L479 HydrophobicContact CB-CD1 4.07Å; L446-L479 HydrophobicContact CD1-CD1 4.27Å; L446-K482 VanDerWaalsContact C-NZ 3.31Å; L446-K482 HydrophobicContact CD1-CB 4.31Å; L446-K482 HydrophobicContact CD1-CD 3.99Å; L446-K482 PolarHBondContact O-NZ 3.43Å
447D87.9Confident90.2Very high93 Ų9347.7 Ų47.750%0.49722%0.222SC..Hα-helixtrans-76.8-71.1173.6-68.5-27.4000110.5N443 T444 L445 K482N443-D447 PolarHBondContact O-N 2.85Å; T444-D447 PolarHBondContact O-N 3.13Å; L445-D447 VanDerWaalsContact C-N 3.32Å; D447-K482 PolarHBondContact O-NZ 3.5Å; D447-K482 VanDerWaalsContact O-NZ 3.14Å
448D86.4Confident90.5Very high74 Ų7448.7 Ų48.740%0.39623%0.226SC..  trans-145.5120.9178.7-171.412000111.9T444 K450 P451 Y452T444-D448 CarbonylContact O-C 3.56Å; T444-D448 PolarHBondContact O-N 3.45Å; T444-D448 VanDerWaalsContact O-O 3.11Å; D448-K450 PolarHBondContact OD1-N 3.21Å; D448-K450 VanDerWaalsContact OD1-N 3.08Å; D448-P451 VanDerWaalsContact CG-CD 3.41Å; D448-P451 WeakPolarHBondContact OD1-CD 3.4Å; D448-P451 VanDerWaalsContact OD2-CD 3.24Å; D448-P451 WeakPolarHBondContact OD2-CD 3.48Å; D448-P451 VanDerWaalsContact OD2-CG 3.3Å; D448-P451 WeakPolarHBondContact OD2-CG 3.24Å; D448-Y452 VanDerWaalsContact O-CE2 3.29Å; D448-Y452 WeakPolarHBondContact O-CE2 3.31Å
449W85.9Confident90.6Very high28 Ų2848.7 Ų48.711%0.10623%0.226CC..  trans-100.6-16.6-179.963.6-95.6000113.1L445 P451 Y452 F483 E486 Y491L445-W449 HydrophobicContact CD2-CB 3.75Å; W449-P451 VanDerWaalsContact C-CD 3.45Å; W449-Y452 PolarHBondContact O-N 2.8Å; W449-F483 HydrophobicContact CB-CE1 4.48Å; W449-F483 HydrophobicContact CB-CZ 4.21Å; W449-F483 AromaticContact CD1-CE1 3.62Å; W449-F483 AromaticContact CD1-CZ 3.93Å; W449-F483 HydrophobicContact CD2-CE1 4.13Å; W449-F483 AromaticContact CG-CE1 3.84Å; W449-F483 HydrophobicContact CG-CE1 3.84Å; W449-F483 HydrophobicContact CG-CZ 4.03Å; W449-F483 AromaticContact NE1-CE1 3.79Å; W449-E486 WeakPolarHBondContact CZ2-OE2 3.39Å; W449-E486 PolarHBondContact NE1-OE2 3.26Å; W449-Y491 HydrophobicContact CB-CE1 4.45Å; W449-Y491 HydrophobicContact CE3-CE2 4Å; W449-Y491 HydrophobicContact CZ3-CE2 4.37Å
450K85.8Confident90.8Very high154 Ų15448.8 Ų48.867%0.6723%0.226SC*.THydrogen-bonded Turntrans-64.2-34.9-172.9-63.6175.9-177.9173.80115D448 Y452D448-K450 PolarHBondContact OD1-N 3.21Å; D448-K450 VanDerWaalsContact OD1-N 3.08Å; K450-Y452 PolarHBondContact O-N 3.02Å
451P87.7Confident91Very high90 Ų9048.8 Ų48.858%0.58423%0.226SC*.THydrogen-bonded Turntrans-66.9-16.4-179.6-23.535000113.8D448 W449D448-P451 VanDerWaalsContact CG-CD 3.41Å; D448-P451 WeakPolarHBondContact OD1-CD 3.4Å; D448-P451 VanDerWaalsContact OD2-CD 3.24Å; D448-P451 WeakPolarHBondContact OD2-CD 3.48Å; D448-P451 VanDerWaalsContact OD2-CG 3.3Å; D448-P451 WeakPolarHBondContact OD2-CG 3.24Å; W449-P451 VanDerWaalsContact C-CD 3.45Å
452Y88.6Confident91.1Very high70 Ų7049.4 Ų49.428%0.27523%0.23SC..SBendtrans-94.6151-170.9-60-69.6000112.4L421 T444 D448 W449 K450 L454L421-Y452 HydrophobicContact CB-CD1 3.45Å; L421-Y452 VanDerWaalsContact CB-CD1 3.45Å; L421-Y452 HydrophobicContact CB-CE1 3.98Å; L421-Y452 HydrophobicContact CB-CG 3.82Å; L421-Y452 HydrophobicContact CD1-CD1 3.86Å; L421-Y452 HydrophobicContact CD1-CD2 4.19Å; L421-Y452 HydrophobicContact CD1-CE1 3.59Å; L421-Y452 HydrophobicContact CD1-CE2 3.96Å; L421-Y452 HydrophobicContact CD1-CG 4.15Å; L421-Y452 HydrophobicContact CG-CD1 4.25Å; L421-Y452 HydrophobicContact CG-CE1 4.42Å; L421-Y452 HydrophobicContact CG-CG 4.43Å; T444-Y452 HydrophobicContact CG2-CE2 3.59Å; T444-Y452 WeakPolarHBondContact CG2-OH 3.33Å; D448-Y452 VanDerWaalsContact O-CE2 3.29Å; D448-Y452 WeakPolarHBondContact O-CE2 3.31Å; W449-Y452 PolarHBondContact O-N 2.8Å; K450-Y452 PolarHBondContact O-N 3.02Å; Y452-L454 PolarHBondContact O-N 3.5Å
453K90.1Very high90.9Very high138 Ų13849.4 Ų49.460%0.623%0.23SC*.  trans-75.7-11.9177.9-68.6-174.7178.9-172.70113.1L421 R455L421-K453 PolarHBondContact O-N 3.43Å; K453-R455 PolarHBondContact O-N 3.49Å
454L92.3Very high90.7Very high5 Ų556.1 Ų56.13%0.02625%0.252CS..  trans-60.1125.9-178.1-171.166000111.2L421 Y423 L445 Y452 R456 L457 Y491L421-L454 HydrophobicContact CD2-CD2 3.84Å; L421-L454 PolarHBondContact O-N 2.91Å; Y423-L454 WeakPolarHBondContact O-CA 3.35Å; Y423-L454 WeakPolarHBondContact O-CD1 3.38Å; Y423-L454 PolarHBondContact O-N 2.94Å; L445-L454 HydrophobicContact CD1-CD2 4.14Å; L445-L454 HydrophobicContact CD2-CD2 4.31Å; Y452-L454 PolarHBondContact O-N 3.5Å; L454-R456 WeakPolarHBondContact CD1-O 3.17Å; L454-L457 HydrophobicContact CD2-CB 4.17Å; L454-L457 HydrophobicContact CD2-CD1 4.35Å; L454-Y491 WeakPolarHBondContact O-CE2 3.08Å; L454-Y491 VanDerWaalsContact O-CZ 3.31Å; L454-Y491 PolarHBondContact O-OH 2.85Å
455R91.1Very high90.3Very high167 Ų16757.3 Ų57.363%0.6326%0.258SS*.  trans-112.7-26.5176.2-62-172.6179.8-167.22.5112.4E424 K453 Y491E424-R455 PolarHBondContact O-N 2.99Å; K453-R455 PolarHBondContact O-N 3.49Å; R455-Y491 WeakPolarHBondContact O-CD2 3.35Å
456R93.6Very high89.8Confident72 Ų7258.3 Ų58.327%0.27226%0.263SS..EExtended strand (participates in β ladder)trans-150129.2178.8-173.2169.6-75.6168.7-9.3111.7E424 V425 S426 L454 Y458 Y491E424-R456 PolarHBondContact O-N 3.19Å; V425-R456 WeakPolarHBondContact CA-O 3.3Å; V425-R456 HydrophobicContact CG1-CB 4.48Å; S426-R456 PolarHBondContact N-O 2.83Å; S426-R456 VanDerWaalsContact N-O 3.07Å; L454-R456 WeakPolarHBondContact CD1-O 3.17Å; R456-Y458 VanDerWaalsContact CD-CZ 3.49Å; R456-Y458 VanDerWaalsContact CD-OH 3.23Å; R456-Y458 WeakPolarHBondContact CD-OH 3.4Å; R456-Y458 HydrophobicContact CG-CD2 4.38Å; R456-Y458 HydrophobicContact CG-CE2 3.85Å; R456-Y491 WeakPolarHBondContact CA-O 3.39Å
457L95.3Very high89.4Confident1 Ų162.5 Ų62.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-116.2120.4177.6-17563.1000110C428 L442 L445 L454 Y491 V492 N493C428-L457 HydrophobicContact CB-CD1 4.38Å; C428-L457 VanDerWaalsContact SG-CD1 3.56Å; L442-L457 HydrophobicContact CD2-CD2 3.6Å; L445-L457 HydrophobicContact CD1-CD2 3.76Å; L454-L457 HydrophobicContact CD2-CB 4.17Å; L454-L457 HydrophobicContact CD2-CD1 4.35Å; L457-Y491 PolarHBondContact N-O 3.32Å; L457-V492 HydrophobicContact CB-CG1 4.48Å; L457-V492 HydrophobicContact CB-CG2 4.48Å; L457-V492 HydrophobicContact CD2-CG1 4.2Å; L457-V492 WeakPolarHBondContact O-CA 3.21Å; L457-N493 PolarHBondContact O-N 3.31Å
458Y95.8Very high89.2Confident21 Ų2158.9 Ų58.98%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-97.1115.1167.6-62.1-87.1000108V425 S426 L427 C428 R456 N493 I533 N537V425-Y458 HydrophobicContact CG1-CD2 4Å; V425-Y458 HydrophobicContact CG1-CE2 3.67Å; S426-Y458 PolarHBondContact O-N 3.45Å; L427-Y458 CarbonylContact C-O 3.58Å; L427-Y458 WeakPolarHBondContact CA-O 3.49Å; C428-Y458 PolarHBondContact N-O 3.41Å; R456-Y458 VanDerWaalsContact CD-CZ 3.49Å; R456-Y458 VanDerWaalsContact CD-OH 3.23Å; R456-Y458 WeakPolarHBondContact CD-OH 3.4Å; R456-Y458 HydrophobicContact CG-CD2 4.38Å; R456-Y458 HydrophobicContact CG-CE2 3.85Å; Y458-N493 HydrophobicContact CD1-CB 4.02Å; Y458-N493 HydrophobicContact CE1-CB 4.45Å; Y458-I533 HydrophobicContact CD1-CD1 4.27Å; Y458-I533 HydrophobicContact CD1-CG1 4.12Å; Y458-I533 HydrophobicContact CD2-CD1 4.4Å; Y458-I533 HydrophobicContact CD2-CG1 4.37Å; Y458-I533 HydrophobicContact CD2-CG2 4.34Å; Y458-I533 HydrophobicContact CE1-CG1 4.02Å; Y458-I533 HydrophobicContact CE2-CG1 4.28Å; Y458-I533 HydrophobicContact CE2-CG2 4Å; Y458-I533 HydrophobicContact CG-CD1 4.12Å; Y458-I533 HydrophobicContact CG-CG1 4.28Å; Y458-N537 PolarHBondContact OH-ND2 2.97Å; Y458-N537 VanDerWaalsContact OH-ND2 3.1Å
459F95.5Very high89.2Confident1 Ų155.7 Ų55.70%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-112.5113.6179.3179-105.1000109.7C428 V435 F438 W461 F472 L476 N493 I494 Q495C428-F459 HydrophobicContact CB-CD2 3.99Å; C428-F459 WeakPolarHBondContact O-CA 3.41Å; V435-F459 HydrophobicContact CG2-CE2 4.23Å; V435-F459 HydrophobicContact CG2-CZ 3.71Å; F438-F459 HydrophobicContact CB-CD2 4.43Å; F438-F459 HydrophobicContact CB-CE2 3.79Å; F438-F459 HydrophobicContact CD2-CE2 4.07Å; F438-F459 HydrophobicContact CG-CD2 4.48Å; F438-F459 AromaticContact CG-CE2 4Å; F438-F459 HydrophobicContact CG-CE2 4Å; F459-W461 HydrophobicContact CE1-CB 3.88Å; F459-W461 HydrophobicContact CE1-CE3 4.42Å; F459-W461 HydrophobicContact CZ-CB 3.93Å; F459-W461 HydrophobicContact CZ-CE3 4.48Å; F459-W461 HydrophobicContact CZ-CG 4.35Å; F459-F472 HydrophobicContact CE1-CE1 4.34Å; F459-F472 AromaticContact CZ-CE1 3.9Å; F459-F472 HydrophobicContact CZ-CE1 3.9Å; F459-L476 HydrophobicContact CD1-CD2 4.06Å; F459-L476 HydrophobicContact CE1-CD1 4.24Å; F459-L476 HydrophobicContact CE1-CD2 3.81Å; F459-N493 PolarHBondContact N-O 3.43Å; F459-I494 HydrophobicContact CD1-CG1 4.43Å; F459-I494 HydrophobicContact CD1-CG2 4.18Å; F459-I494 WeakPolarHBondContact O-CA 3.32Å; F459-Q495 PolarHBondContact O-N 3.36Å
460I95.2Very high89Confident5 Ų557.6 Ų57.63%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-116.9119.3-179.5-56.2-177.8000108.3L427 C428 V429 A430 V462 Q495 Y497 W526 L529L427-I460 HydrophobicContact CD1-CD1 3.79Å; L427-I460 HydrophobicContact CD1-CG1 4.15Å; C428-I460 PolarHBondContact O-N 2.88Å; V429-I460 CarbonylContact C-O 3.59Å; V429-I460 WeakPolarHBondContact CA-O 3.39Å; V429-I460 HydrophobicContact CG2-CB 4.4Å; A430-I460 PolarHBondContact N-O 2.88Å; I460-V462 HydrophobicContact CG2-CG2 4.34Å; I460-Q495 WeakPolarHBondContact CA-O 3.37Å; I460-Q495 HydrophobicContact CG1-CB 4.5Å; I460-Y497 HydrophobicContact CG2-CD2 3.76Å; I460-Y497 HydrophobicContact CG2-CE2 3.74Å; I460-W526 HydrophobicContact CD1-CZ3 4.18Å; I460-W526 HydrophobicContact CG2-CH2 4.06Å; I460-W526 HydrophobicContact CG2-CZ3 4.05Å; I460-L529 HydrophobicContact CD1-CD1 4.08Å
461W94Very high88.8Confident1 Ų151.5 Ų51.50%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-122.3121.6178.5-171.418000111.4A430 G432 V435 F459 C463 S468 F469 F472 L476 Q495 L496 Y497A430-W461 HydrophobicContact CB-CB 4.34Å; A430-W461 VanDerWaalsContact CB-CD1 3.47Å; A430-W461 HydrophobicContact CB-CG 4.03Å; G432-W461 PolarHBondContact O-NE1 3.36Å; V435-W461 HydrophobicContact CB-CD2 4.19Å; V435-W461 HydrophobicContact CB-CZ2 3.95Å; V435-W461 HydrophobicContact CG1-CH2 4.14Å; V435-W461 HydrophobicContact CG1-CZ2 3.51Å; V435-W461 HydrophobicContact CG2-CD2 4Å; V435-W461 HydrophobicContact CG2-CE3 4.3Å; V435-W461 HydrophobicContact CG2-CG 4.43Å; V435-W461 HydrophobicContact CG2-CZ2 4.26Å; F459-W461 HydrophobicContact CE1-CB 3.88Å; F459-W461 HydrophobicContact CE1-CE3 4.42Å; F459-W461 HydrophobicContact CZ-CB 3.93Å; F459-W461 HydrophobicContact CZ-CE3 4.48Å; F459-W461 HydrophobicContact CZ-CG 4.35Å; W461-C463 PolarHBondContact NE1-SG 3.3Å; W461-S468 WeakPolarHBondContact CH2-O 3.43Å; W461-F469 HydrophobicContact CB-CE1 4.36Å; W461-F469 AromaticContact CD2-CD1 3.85Å; W461-F469 HydrophobicContact CD2-CD1 3.85Å; W461-F469 AromaticContact CD2-CE1 3.7Å; W461-F469 HydrophobicContact CD2-CE1 3.7Å; W461-F469 AromaticContact CE3-CD1 3.36Å; W461-F469 HydrophobicContact CE3-CD1 3.36Å; W461-F469 AromaticContact CE3-CE1 3.65Å; W461-F469 HydrophobicContact CE3-CE1 3.65Å; W461-F469 HydrophobicContact CG-CE1 4.04Å; W461-F469 AromaticContact CH2-CD1 3.96Å; W461-F469 HydrophobicContact CH2-CD1 3.96Å; W461-F469 HydrophobicContact CZ2-CD1 4.38Å; W461-F469 HydrophobicContact CZ3-CB 4.36Å; W461-F469 AromaticContact CZ3-CD1 3.41Å; W461-F469 HydrophobicContact CZ3-CD1 3.41Å; W461-F469 VanDerWaalsContact CZ3-CD1 3.41Å; W461-F469 HydrophobicContact CZ3-CE1 4.15Å; W461-F469 HydrophobicContact CZ3-CG 4.32Å; W461-F472 HydrophobicContact CE3-CD1 4.12Å; W461-F472 HydrophobicContact CH2-CB 3.58Å; W461-F472 HydrophobicContact CH2-CD1 4.29Å; W461-F472 HydrophobicContact CH2-CG 4.25Å; W461-F472 HydrophobicContact CZ3-CB 3.57Å; W461-F472 AromaticContact CZ3-CD1 3.72Å; W461-F472 HydrophobicContact CZ3-CD1 3.72Å; W461-F472 HydrophobicContact CZ3-CG 4.05Å; W461-L476 HydrophobicContact CE3-CD1 4.43Å; W461-Q495 PolarHBondContact N-O 3.01Å; W461-L496 HydrophobicContact CB-CD2 4Å; W461-L496 HydrophobicContact CE3-CD2 4.05Å; W461-Y497 PolarHBondContact O-N 2.85Å
462V92.9Very high88.7Confident14 Ų1447.5 Ų47.59%0.08520%0.197CC..EExtended strand (participates in β ladder)trans-109120-177.7-168.70000109.9A430 G431 G432 I460 Y497 P524 W526A430-V462 PolarHBondContact O-N 3.47Å; G431-V462 WeakPolarHBondContact CA-O 3.14Å; G432-V462 PolarHBondContact N-O 2.88Å; I460-V462 HydrophobicContact CG2-CG2 4.34Å; V462-Y497 WeakPolarHBondContact CA-O 3.27Å; V462-P524 HydrophobicContact CG2-CG 3.62Å; V462-W526 HydrophobicContact CG2-CH2 3.99Å; V462-W526 HydrophobicContact CG2-CZ2 4.19Å
463C89.1Confident88.6Confident3 Ų344.2 Ų44.22%0.0219%0.185CC..EExtended strand (participates in β ladder)trans-124.2160.5176.7-72.60000111.7W461 D465 F469 Y497 S499W461-C463 PolarHBondContact NE1-SG 3.3Å; C463-D465 WeakPolarHBondContact CB-O 3.39Å; C463-F469 HydrophobicContact CB-CE1 4.06Å; C463-F469 HydrophobicContact CB-CE2 3.81Å; C463-F469 HydrophobicContact CB-CZ 3.54Å; C463-Y497 PolarHBondContact N-O 3.47Å; C463-S499 PolarHBondContact O-N 3.28Å; C463-S499 PolarHBondContact O-OG 2.76Å
464R86.1Confident88.4Confident181 Ų18141 Ų4168%0.68317%0.174SC*.SBendtrans-89.3-45.9170.9-71.8-175.2-177.7175.1-0.4111L498 S499R464-L498 VanDerWaalsContact O-CD1 3.25Å; R464-L498 WeakPolarHBondContact O-CD1 3.46Å; R464-S499 WeakPolarHBondContact CA-OG 3.18Å
465D82.5Confident88.3Confident46 Ų4641.4 Ų41.425%0.24618%0.176CC..SBendtrans-102.6139.3178.4-171.3-12.1000109.9C463 R467 S468C463-D465 WeakPolarHBondContact CB-O 3.39Å; D465-R467 VanDerWaalsContact C-N 3.35Å; D465-R467 PolarHBondContact OD1-N 3.36Å; D465-R467 IonicContact OD1-NE 3.59Å; D465-R467 IonicContact OD2-CZ 3.24Å; D465-R467 VanDerWaalsContact OD2-CZ 3.24Å; D465-R467 IonicContact OD2-NE 2.83Å; D465-R467 PolarHBondContact OD2-NE 3.43Å; D465-R467 IonicContact OD2-NH2 2.77Å; D465-R467 PolarHBondContact OD2-NH2 2.93Å; D465-S468 WeakPolarHBondContact O-CB 3.25Å; D465-S468 PolarHBondContact O-N 3.27Å
466I80.5Confident88.3Confident22 Ų2233.5 Ų33.511%0.11315%0.147CC..SBendtrans-73.2-27.3177.5-168.9160.1000112.1S468 F469 L498 I507 L519I466-S468 PolarHBondContact O-N 3.39Å; I466-F469 HydrophobicContact CG1-CD2 4.18Å; I466-F469 WeakPolarHBondContact O-CB 3.35Å; I466-F469 WeakPolarHBondContact O-CD2 3.34Å; I466-F469 PolarHBondContact O-N 2.94Å; I466-F469 VanDerWaalsContact O-N 3.07Å; I466-L498 HydrophobicContact CB-CD1 3.99Å; I466-L498 HydrophobicContact CB-CD2 4.31Å; I466-L498 HydrophobicContact CD1-CD2 4.36Å; I466-I507 HydrophobicContact CB-CB 4.17Å; I466-I507 HydrophobicContact CB-CG2 4.4Å; I466-I507 HydrophobicContact CD1-CB 3.68Å; I466-I507 HydrophobicContact CD1-CG2 4.38Å; I466-I507 VanDerWaalsContact CD1-O 3.31Å; I466-I507 WeakPolarHBondContact CD1-O 3.29Å; I466-I507 HydrophobicContact CG1-CB 3.65Å; I466-I507 HydrophobicContact CG1-CG2 3.85Å; I466-I507 HydrophobicContact CG2-CB 3.49Å; I466-I507 VanDerWaalsContact CG2-CB 3.49Å; I466-I507 HydrophobicContact CG2-CD1 3.2Å; I466-I507 HydrophobicContact CG2-CG1 3.76Å; I466-I507 HydrophobicContact CG2-CG2 3.9Å; I466-L519 HydrophobicContact CD1-CD2 3.86Å
467R81.9Confident88.1Confident126 Ų12630.8 Ų30.848%0.47514%0.138SC..G310 helixtrans-60.7-27.7173.2-64.6-179.2-62.9175.92.6112.2P318 D465 F469 Q470 I507P318-R467 HydrophobicContact CB-CB 4.25Å; D465-R467 VanDerWaalsContact C-N 3.35Å; D465-R467 PolarHBondContact OD1-N 3.36Å; D465-R467 IonicContact OD1-NE 3.59Å; D465-R467 IonicContact OD2-CZ 3.24Å; D465-R467 VanDerWaalsContact OD2-CZ 3.24Å; D465-R467 IonicContact OD2-NE 2.83Å; D465-R467 PolarHBondContact OD2-NE 3.43Å; D465-R467 IonicContact OD2-NH2 2.77Å; D465-R467 PolarHBondContact OD2-NH2 2.93Å; R467-F469 PolarHBondContact O-N 2.96Å; R467-Q470 WeakPolarHBondContact O-CB 3.47Å; R467-Q470 WeakPolarHBondContact O-CG 3.22Å; R467-Q470 PolarHBondContact O-N 2.98Å; R467-Q470 VanDerWaalsContact O-N 3.1Å; R467-I507 HydrophobicContact CG-CD1 4.2Å
468S83.7Confident87.8Confident18 Ų1835.3 Ų35.313%0.12616%0.161CC..G310 helixtrans-64.1-20.3177.3-61.50000113.2S319 W461 D465 I466 W471S319-S468 PolarHBondContact OG-N 3.5Å; S319-S468 PolarHBondContact OG-OG 3.13Å; S319-S468 VanDerWaalsContact OG-OG 3.11Å; W461-S468 WeakPolarHBondContact CH2-O 3.43Å; D465-S468 WeakPolarHBondContact O-CB 3.25Å; D465-S468 PolarHBondContact O-N 3.27Å; I466-S468 PolarHBondContact O-N 3.39Å; S468-W471 PolarHBondContact O-NE1 3.37Å; S468-W471 VanDerWaalsContact O-NE1 3.08Å
469F85.4Confident87.6Confident6 Ų634.3 Ų34.33%0.02616%0.157CC..G310 helixtrans-76.5-23175.5-65.5-67000113.1W461 C463 I466 R467 W471 F472 A473 L496 L498 L519W461-F469 HydrophobicContact CB-CE1 4.36Å; W461-F469 AromaticContact CD2-CD1 3.85Å; W461-F469 HydrophobicContact CD2-CD1 3.85Å; W461-F469 AromaticContact CD2-CE1 3.7Å; W461-F469 HydrophobicContact CD2-CE1 3.7Å; W461-F469 AromaticContact CE3-CD1 3.36Å; W461-F469 HydrophobicContact CE3-CD1 3.36Å; W461-F469 AromaticContact CE3-CE1 3.65Å; W461-F469 HydrophobicContact CE3-CE1 3.65Å; W461-F469 HydrophobicContact CG-CE1 4.04Å; W461-F469 AromaticContact CH2-CD1 3.96Å; W461-F469 HydrophobicContact CH2-CD1 3.96Å; W461-F469 HydrophobicContact CZ2-CD1 4.38Å; W461-F469 HydrophobicContact CZ3-CB 4.36Å; W461-F469 AromaticContact CZ3-CD1 3.41Å; W461-F469 HydrophobicContact CZ3-CD1 3.41Å; W461-F469 VanDerWaalsContact CZ3-CD1 3.41Å; W461-F469 HydrophobicContact CZ3-CE1 4.15Å; W461-F469 HydrophobicContact CZ3-CG 4.32Å; C463-F469 HydrophobicContact CB-CE1 4.06Å; C463-F469 HydrophobicContact CB-CE2 3.81Å; C463-F469 HydrophobicContact CB-CZ 3.54Å; I466-F469 HydrophobicContact CG1-CD2 4.18Å; I466-F469 WeakPolarHBondContact O-CB 3.35Å; I466-F469 WeakPolarHBondContact O-CD2 3.34Å; I466-F469 PolarHBondContact O-N 2.94Å; I466-F469 VanDerWaalsContact O-N 3.07Å; R467-F469 PolarHBondContact O-N 2.96Å; F469-W471 PolarHBondContact O-N 3.34Å; F469-F472 PolarHBondContact O-N 2.92Å; F469-A473 WeakPolarHBondContact O-CB 3.39Å; F469-A473 PolarHBondContact O-N 3.21Å; F469-L496 HydrophobicContact CD1-CD1 4.18Å; F469-L496 HydrophobicContact CD1-CD2 4.07Å; F469-L496 HydrophobicContact CD1-CG 4.5Å; F469-L496 HydrophobicContact CE1-CB 4Å; F469-L496 HydrophobicContact CE1-CD1 4.44Å; F469-L496 HydrophobicContact CE1-CD2 3.88Å; F469-L496 HydrophobicContact CE1-CG 4.32Å; F469-L496 HydrophobicContact CZ-CB 4.13Å; F469-L498 HydrophobicContact CE2-CD1 4.36Å; F469-L519 HydrophobicContact CE2-CD1 4.11Å; F469-L519 HydrophobicContact CZ-CD1 4.47Å
470Q82.6Confident87.4Confident69 Ų6935.3 Ų35.332%0.32216%0.161SC..Hα-helixtrans-61-46.8-166.8-69.5174.4-32.200113.3P318 R467 F472 A473P318-Q470 VanDerWaalsContact CB-OE1 3.32Å; P318-Q470 HydrophobicContact CG-CB 4.39Å; R467-Q470 WeakPolarHBondContact O-CB 3.47Å; R467-Q470 WeakPolarHBondContact O-CG 3.22Å; R467-Q470 PolarHBondContact O-N 2.98Å; R467-Q470 VanDerWaalsContact O-N 3.1Å; Q470-F472 PolarHBondContact O-N 3.31Å; Q470-A473 PolarHBondContact O-N 3.49Å
471W80.9Confident87.1Confident26 Ų2638.7 Ų38.710%0.09818%0.18CC..Hα-helixtrans-67.4-21.6-176.269.4-92.4000114H317 H370 I433 V435 T436 S468 F469H317-W471 HydrophobicContact CB-CB 3.73Å; H317-W471 HydrophobicContact CB-CG 4.33Å; H317-W471 VanDerWaalsContact CG-CB 3.49Å; H317-W471 VanDerWaalsContact ND1-CB 3.29Å; H317-W471 WeakPolarHBondContact ND1-CB 3.4Å; H370-W471 HydrophobicContact CB-CH2 4.46Å; H370-W471 HydrophobicContact CB-CZ3 4.47Å; H370-W471 AromaticContact CD2-CE3 3.46Å; H370-W471 VanDerWaalsContact CD2-CE3 3.46Å; H370-W471 AromaticContact CD2-CZ3 3.37Å; H370-W471 WeakPolarHBondContact CD2-CZ3 3.44Å; H370-W471 AromaticContact CG-CZ3 3.88Å; H370-W471 AromaticContact NE2-CE3 3.62Å; H370-W471 AromaticContact NE2-CZ3 3.64Å; I433-W471 HydrophobicContact CD1-CZ2 4.3Å; V435-W471 HydrophobicContact CG1-CH2 3.58Å; V435-W471 HydrophobicContact CG1-CZ2 3.28Å; T436-W471 HydrophobicContact CG2-CH2 4.12Å; S468-W471 PolarHBondContact O-NE1 3.37Å; S468-W471 VanDerWaalsContact O-NE1 3.08Å; F469-W471 PolarHBondContact O-N 3.34Å
472F85.4Confident87Confident5 Ų540.4 Ų40.42%0.02219%0.187CC..Hα-helixtrans-105.9-11.6-178.8-156.9-116.2000112.9V435 A439 L442 F459 W461 F469 Q470 D474 L475 L476V435-F472 HydrophobicContact CG2-CD1 3.77Å; V435-F472 HydrophobicContact CG2-CE1 3.56Å; V435-F472 HydrophobicContact CG2-CG 4.33Å; V435-F472 HydrophobicContact CG2-CZ 3.97Å; A439-F472 VanDerWaalsContact CA-CE2 3.49Å; A439-F472 HydrophobicContact CB-CD2 4.37Å; A439-F472 HydrophobicContact CB-CE2 3.38Å; A439-F472 HydrophobicContact CB-CZ 3.96Å; L442-F472 HydrophobicContact CD1-CE1 3.69Å; L442-F472 HydrophobicContact CD1-CZ 3.73Å; L442-F472 HydrophobicContact CG-CZ 4.48Å; F459-F472 HydrophobicContact CE1-CE1 4.34Å; F459-F472 AromaticContact CZ-CE1 3.9Å; F459-F472 HydrophobicContact CZ-CE1 3.9Å; W461-F472 HydrophobicContact CE3-CD1 4.12Å; W461-F472 HydrophobicContact CH2-CB 3.58Å; W461-F472 HydrophobicContact CH2-CD1 4.29Å; W461-F472 HydrophobicContact CH2-CG 4.25Å; W461-F472 HydrophobicContact CZ3-CB 3.57Å; W461-F472 AromaticContact CZ3-CD1 3.72Å; W461-F472 HydrophobicContact CZ3-CD1 3.72Å; W461-F472 HydrophobicContact CZ3-CG 4.05Å; F469-F472 PolarHBondContact O-N 2.92Å; Q470-F472 PolarHBondContact O-N 3.31Å; F472-D474 PolarHBondContact O-N 3.33Å; F472-L475 HydrophobicContact CD2-CD2 4.3Å; F472-L475 HydrophobicContact CE2-CD2 3.55Å; F472-L475 HydrophobicContact CZ-CD2 3.84Å; F472-L475 PolarHBondContact O-N 3.37Å; F472-L476 HydrophobicContact CD1-CD1 3.92Å; F472-L476 HydrophobicContact CD1-CD2 4.07Å; F472-L476 HydrophobicContact CD1-CG 3.8Å; F472-L476 HydrophobicContact CE1-CD1 4.46Å; F472-L476 HydrophobicContact CE1-CD2 3.81Å; F472-L476 HydrophobicContact CE1-CG 4.05Å; F472-L476 WeakPolarHBondContact O-CG 3.42Å; F472-L476 PolarHBondContact O-N 3.27Å
473A86Confident87Confident2 Ų239.9 Ų39.92%0.01718%0.183CC..Hα-helixtrans-62.3-40.1-176.700000112.5F469 Q470 L475 L476 C477 Y512 L515F469-A473 WeakPolarHBondContact O-CB 3.39Å; F469-A473 PolarHBondContact O-N 3.21Å; Q470-A473 PolarHBondContact O-N 3.49Å; A473-L475 VanDerWaalsContact C-N 3.34Å; A473-L475 PolarHBondContact O-N 3Å; A473-L476 PolarHBondContact O-N 2.89Å; A473-C477 PolarHBondContact O-N 2.86Å; A473-Y512 HydrophobicContact CB-CD1 3.64Å; A473-Y512 HydrophobicContact CB-CE1 3.55Å; A473-Y512 HydrophobicContact CB-CG 4.22Å; A473-L515 HydrophobicContact CB-CD1 3.78Å
474D87.5Confident87Confident69 Ų6947.4 Ų47.437%0.36921%0.212SC..Hα-helixtrans-58.8-45.2178.2-74-26.2000111.2F472 C477 M478 K511 Y512F472-D474 PolarHBondContact O-N 3.33Å; D474-C477 PolarHBondContact O-N 2.87Å; D474-M478 WeakPolarHBondContact O-CG 3.17Å; D474-M478 PolarHBondContact O-N 3.11Å; D474-K511 IonicContact OD1-NZ 3.02Å; D474-K511 PolarHBondContact OD1-NZ 3.09Å; D474-K511 IonicContact OD2-NZ 2.85Å; D474-Y512 WeakPolarHBondContact OD1-CE1 3.36Å; D474-Y512 VanDerWaalsContact OD1-CZ 3.3Å; D474-Y512 PolarHBondContact OD1-OH 3.28Å
475L89.1Confident87.3Confident15 Ų1546.7 Ų46.78%0.07922%0.216CC..Hα-helixtrans-63.1-44.5177.4179.558.6000112.1L442 N443 L446 F472 A473 C477 M478 L479L442-L475 HydrophobicContact CB-CD2 4.03Å; L442-L475 HydrophobicContact CB-CG 4.44Å; N443-L475 WeakPolarHBondContact OD1-CD1 3.4Å; N443-L475 WeakPolarHBondContact OD1-CD2 3.42Å; L446-L475 HydrophobicContact CD2-CD1 3.83Å; F472-L475 HydrophobicContact CD2-CD2 4.3Å; F472-L475 HydrophobicContact CE2-CD2 3.55Å; F472-L475 HydrophobicContact CZ-CD2 3.84Å; F472-L475 PolarHBondContact O-N 3.37Å; A473-L475 VanDerWaalsContact C-N 3.34Å; A473-L475 PolarHBondContact O-N 3Å; L475-C477 VanDerWaalsContact C-N 3.34Å; L475-C477 PolarHBondContact O-N 3.06Å; L475-M478 HydrophobicContact CD1-CE 4.29Å; L475-M478 PolarHBondContact O-N 3.22Å; L475-L479 WeakPolarHBondContact O-CB 3.5Å; L475-L479 PolarHBondContact O-N 3.1Å
476L90.8Very high87.7Confident1 Ų148.3 Ų48.31%0.00522%0.222CC..Hα-helixtrans-62-41.7178.5-67.5177.9000111.9L442 F459 W461 F472 A473 H480 I494 L496 L515L442-L476 HydrophobicContact CD1-CD2 3.52Å; F459-L476 HydrophobicContact CD1-CD2 4.06Å; F459-L476 HydrophobicContact CE1-CD1 4.24Å; F459-L476 HydrophobicContact CE1-CD2 3.81Å; W461-L476 HydrophobicContact CE3-CD1 4.43Å; F472-L476 HydrophobicContact CD1-CD1 3.92Å; F472-L476 HydrophobicContact CD1-CD2 4.07Å; F472-L476 HydrophobicContact CD1-CG 3.8Å; F472-L476 HydrophobicContact CE1-CD1 4.46Å; F472-L476 HydrophobicContact CE1-CD2 3.81Å; F472-L476 HydrophobicContact CE1-CG 4.05Å; F472-L476 WeakPolarHBondContact O-CG 3.42Å; F472-L476 PolarHBondContact O-N 3.27Å; A473-L476 PolarHBondContact O-N 2.89Å; L476-H480 WeakPolarHBondContact O-CB 3.15Å; L476-H480 PolarHBondContact O-N 3.17Å; L476-I494 HydrophobicContact CB-CD1 4.22Å; L476-I494 HydrophobicContact CD1-CG2 4.47Å; L476-I494 HydrophobicContact CD2-CD1 4Å; L476-I494 HydrophobicContact CD2-CG1 4.49Å; L476-L496 HydrophobicContact CD1-CD2 4.2Å; L476-L515 HydrophobicContact CB-CD1 4.06Å; L476-L515 HydrophobicContact CB-CD2 3.92Å; L476-L515 HydrophobicContact CD1-CD1 4.46Å; L476-L515 HydrophobicContact CD1-CD2 4.42Å
477C89.2Confident88.1Confident14 Ų1454 Ų5410%0.09525%0.253CS..Hα-helixtrans-65.5-46.2175.9-79.60000112.2A473 D474 L475 L479 H480 N481A473-C477 PolarHBondContact O-N 2.86Å; D474-C477 PolarHBondContact O-N 2.87Å; L475-C477 VanDerWaalsContact C-N 3.34Å; L475-C477 PolarHBondContact O-N 3.06Å; C477-L479 VanDerWaalsContact C-N 3.31Å; C477-L479 PolarHBondContact O-N 2.98Å; C477-H480 PolarHBondContact O-N 3.09Å; C477-N481 WeakPolarHBondContact O-CB 3.45Å; C477-N481 VanDerWaalsContact O-CG 3.23Å; C477-N481 PolarHBondContact O-N 2.99Å; C477-N481 PolarHBondContact O-ND2 3.47Å
478M90.7Very high88.5Confident97 Ų9754 Ų5448%0.47825%0.253SS..Hα-helixtrans-58.5-44.9177.1-73.7-173.4-65.600111.4L446 D474 L475 N481 K482L446-M478 HydrophobicContact CD1-CB 4.08Å; L446-M478 HydrophobicContact CD2-CB 4.25Å; L446-M478 HydrophobicContact CD2-CE 4.28Å; D474-M478 WeakPolarHBondContact O-CG 3.17Å; D474-M478 PolarHBondContact O-N 3.11Å; L475-M478 HydrophobicContact CD1-CE 4.29Å; L475-M478 PolarHBondContact O-N 3.22Å; M478-N481 PolarHBondContact O-N 3.31Å; M478-K482 WeakPolarHBondContact O-CB 3.49Å; M478-K482 PolarHBondContact O-N 3.37Å
479L91.1Very high88.6Confident0 Ų055.2 Ų55.20%026%0.26CS..Hα-helixtrans-64.2-44.6178.6-16972.3000111.9L442 L445 L446 L475 C477 K482 F483 V492L442-L479 HydrophobicContact CB-CD2 4.17Å; L442-L479 HydrophobicContact CD1-CD2 4.33Å; L442-L479 HydrophobicContact CD2-CD2 3.72Å; L442-L479 HydrophobicContact CG-CD2 4.27Å; L445-L479 HydrophobicContact CB-CD1 3.98Å; L446-L479 HydrophobicContact CB-CD1 4.07Å; L446-L479 HydrophobicContact CD1-CD1 4.27Å; L475-L479 WeakPolarHBondContact O-CB 3.5Å; L475-L479 PolarHBondContact O-N 3.1Å; C477-L479 VanDerWaalsContact C-N 3.31Å; C477-L479 PolarHBondContact O-N 2.98Å; L479-K482 PolarHBondContact O-N 3.09Å; L479-F483 HydrophobicContact CD1-CD2 4.16Å; L479-F483 HydrophobicContact CD1-CE2 3.58Å; L479-F483 HydrophobicContact CG-CD2 4.02Å; L479-F483 HydrophobicContact CG-CE2 3.84Å; L479-F483 VanDerWaalsContact O-CD2 3.27Å; L479-F483 WeakPolarHBondContact O-CD2 3.4Å; L479-F483 PolarHBondContact O-N 3.26Å; L479-V492 HydrophobicContact CD2-CG1 4.16Å; L479-V492 HydrophobicContact CD2-CG2 4.07Å; L479-V492 HydrophobicContact CG-CG2 4.44Å
480H90Very high88.7Confident21 Ų2160.2 Ų60.210%0.09729%0.287CS..Hα-helixtrans-60.6-47.6177.6-176.167.1000111.5L476 C477 K482 F483 W484L476-H480 WeakPolarHBondContact O-CB 3.15Å; L476-H480 PolarHBondContact O-N 3.17Å; C477-H480 PolarHBondContact O-N 3.09Å; H480-K482 PolarHBondContact O-N 3.39Å; H480-F483 PolarHBondContact O-N 3.36Å; H480-W484 WeakPolarHBondContact O-CB 3.38Å; H480-W484 PolarHBondContact O-N 3.42Å
481N90.3Very high89.1Confident77 Ų7757.3 Ų57.341%0.41227%0.273SS..Hα-helixtrans-63.6-40.5179.7-69.6-11.9000111.9C477 M478 W484 Q485C477-N481 WeakPolarHBondContact O-CB 3.45Å; C477-N481 VanDerWaalsContact O-CG 3.23Å; C477-N481 PolarHBondContact O-N 2.99Å; C477-N481 PolarHBondContact O-ND2 3.47Å; M478-N481 PolarHBondContact O-N 3.31Å; N481-W484 PolarHBondContact O-N 3.2Å; N481-Q485 VanDerWaalsContact O-CG 3.31Å; N481-Q485 WeakPolarHBondContact O-CG 3.48Å; N481-Q485 PolarHBondContact O-N 2.88Å
482K91.9Very high89.6Confident36 Ų3656.3 Ų56.316%0.15727%0.27CS..Hα-helixtrans-57-52.6175.3-179.8-179.6178.2-178.10111.5L445 L446 D447 M478 L479 H480 W484 Q485 E486L445-K482 PolarHBondContact O-NZ 2.9Å; L446-K482 VanDerWaalsContact C-NZ 3.31Å; L446-K482 HydrophobicContact CD1-CB 4.31Å; L446-K482 HydrophobicContact CD1-CD 3.99Å; L446-K482 PolarHBondContact O-NZ 3.43Å; D447-K482 PolarHBondContact O-NZ 3.5Å; D447-K482 VanDerWaalsContact O-NZ 3.14Å; M478-K482 WeakPolarHBondContact O-CB 3.49Å; M478-K482 PolarHBondContact O-N 3.37Å; L479-K482 PolarHBondContact O-N 3.09Å; H480-K482 PolarHBondContact O-N 3.39Å; K482-W484 VanDerWaalsContact C-N 3.29Å; K482-W484 PolarHBondContact O-N 3.02Å; K482-Q485 PolarHBondContact O-N 3.38Å; K482-E486 WeakPolarHBondContact CE-OE1 3.45Å; K482-E486 WeakPolarHBondContact O-CG 3.26Å; K482-E486 PolarHBondContact O-N 3.31Å
483F91.6Very high89.9Confident3 Ų358.6 Ų58.61%0.01328%0.282CS..Hα-helixtrans-70-27.2-179.2-75.7-61.9000113.5W449 L479 H480 N487 R488 Y491 V492W449-F483 HydrophobicContact CB-CE1 4.48Å; W449-F483 HydrophobicContact CB-CZ 4.21Å; W449-F483 AromaticContact CD1-CE1 3.62Å; W449-F483 AromaticContact CD1-CZ 3.93Å; W449-F483 HydrophobicContact CD2-CE1 4.13Å; W449-F483 AromaticContact CG-CE1 3.84Å; W449-F483 HydrophobicContact CG-CE1 3.84Å; W449-F483 HydrophobicContact CG-CZ 4.03Å; W449-F483 AromaticContact NE1-CE1 3.79Å; L479-F483 HydrophobicContact CD1-CD2 4.16Å; L479-F483 HydrophobicContact CD1-CE2 3.58Å; L479-F483 HydrophobicContact CG-CD2 4.02Å; L479-F483 HydrophobicContact CG-CE2 3.84Å; L479-F483 VanDerWaalsContact O-CD2 3.27Å; L479-F483 WeakPolarHBondContact O-CD2 3.4Å; L479-F483 PolarHBondContact O-N 3.26Å; H480-F483 PolarHBondContact O-N 3.36Å; F483-N487 PolarHBondContact O-N 3.03Å; F483-R488 HydrophobicContact CD1-CB 4.48Å; F483-R488 CarbonylContact O-C 3.33Å; F483-R488 WeakPolarHBondContact O-CA 3.47Å; F483-R488 PolarHBondContact O-N 3.24Å; F483-Y491 AromaticContact CD1-CD1 3.98Å; F483-Y491 HydrophobicContact CD1-CD1 3.98Å; F483-Y491 HydrophobicContact CD1-CG 4.04Å; F483-Y491 HydrophobicContact CD2-CD1 4.29Å; F483-Y491 AromaticContact CE1-CD1 3.37Å; F483-Y491 HydrophobicContact CE1-CD1 3.37Å; F483-Y491 HydrophobicContact CE1-CD2 4.5Å; F483-Y491 AromaticContact CE1-CE1 3.84Å; F483-Y491 HydrophobicContact CE1-CE1 3.84Å; F483-Y491 AromaticContact CE1-CG 3.76Å; F483-Y491 HydrophobicContact CE1-CG 3.76Å; F483-Y491 AromaticContact CE2-CD1 3.72Å; F483-Y491 HydrophobicContact CE2-CD1 3.72Å; F483-Y491 HydrophobicContact CE2-CE1 4.24Å; F483-Y491 HydrophobicContact CG-CD1 4.41Å; F483-Y491 AromaticContact CZ-CD1 3.23Å; F483-Y491 HydrophobicContact CZ-CD1 3.23Å; F483-Y491 AromaticContact CZ-CE1 3.5Å; F483-Y491 HydrophobicContact CZ-CE1 3.5Å; F483-Y491 VanDerWaalsContact CZ-CE1 3.5Å; F483-Y491 HydrophobicContact CZ-CG 4.09Å; F483-V492 HydrophobicContact CD2-CB 4.49Å; F483-V492 HydrophobicContact CD2-CG2 3.63Å; F483-V492 HydrophobicContact CE2-CG2 3.47Å; F483-V492 VanDerWaalsContact CE2-CG2 3.47Å; F483-V492 HydrophobicContact CZ-CG2 4.35Å
484W89.8Confident90.2Very high161 Ų16158.5 Ų58.561%0.6128%0.282SS*.Hα-helixtrans-65.1-46.9170.6-164.8-85.8000111.3H480 N481 K482 E486 N487 P489H480-W484 WeakPolarHBondContact O-CB 3.38Å; H480-W484 PolarHBondContact O-N 3.42Å; N481-W484 PolarHBondContact O-N 3.2Å; K482-W484 VanDerWaalsContact C-N 3.29Å; K482-W484 PolarHBondContact O-N 3.02Å; W484-E486 VanDerWaalsContact C-N 3.33Å; W484-E486 PolarHBondContact O-N 2.89Å; W484-N487 PolarHBondContact O-N 2.96Å; W484-N487 VanDerWaalsContact O-N 3.1Å; W484-P489 HydrophobicContact CE3-CB 3.65Å; W484-P489 HydrophobicContact CZ3-CB 3.75Å
485Q91.8Very high90.5Very high166 Ų16657 Ų5778%0.77627%0.273SS*.Hα-helixtrans-63.6-36.4177.1-72.2174.1-200112.6N481 K482 N487N481-Q485 VanDerWaalsContact O-CG 3.31Å; N481-Q485 WeakPolarHBondContact O-CG 3.48Å; N481-Q485 PolarHBondContact O-N 2.88Å; K482-Q485 PolarHBondContact O-N 3.38Å; Q485-N487 PolarHBondContact O-N 3.42Å
486E91Very high90.6Very high80 Ų8056.4 Ų56.437%0.37427%0.269SS..THydrogen-bonded Turntrans-79.69.5175.4-67.1-175.7-157.600113.8W449 K482 W484 R488W449-E486 WeakPolarHBondContact CZ2-OE2 3.39Å; W449-E486 PolarHBondContact NE1-OE2 3.26Å; K482-E486 WeakPolarHBondContact CE-OE1 3.45Å; K482-E486 WeakPolarHBondContact O-CG 3.26Å; K482-E486 PolarHBondContact O-N 3.31Å; W484-E486 VanDerWaalsContact C-N 3.33Å; W484-E486 PolarHBondContact O-N 2.89Å; E486-R488 VanDerWaalsContact C-N 3.28Å; E486-R488 PolarHBondContact O-N 2.92Å
487N89.8Confident90.6Very high141 Ų14157 Ų5775%0.75427%0.272SS*.THydrogen-bonded Turntrans56.337.1179.7-158.218.2000113.9F483 W484 Q485 P489F483-N487 PolarHBondContact O-N 3.03Å; W484-N487 PolarHBondContact O-N 2.96Å; W484-N487 VanDerWaalsContact O-N 3.1Å; Q485-N487 PolarHBondContact O-N 3.42Å; N487-P489 VanDerWaalsContact C-CD 3.45Å
488R89.3Confident90.6Very high127 Ų12757.5 Ų57.548%0.47927%0.273SS..  trans-131.356.2176.3-65.2-167.9178.6-157.30.3112.4F483 E486 D490 Y491F483-R488 HydrophobicContact CD1-CB 4.48Å; F483-R488 CarbonylContact O-C 3.33Å; F483-R488 WeakPolarHBondContact O-CA 3.47Å; F483-R488 PolarHBondContact O-N 3.24Å; E486-R488 VanDerWaalsContact C-N 3.28Å; E486-R488 PolarHBondContact O-N 2.92Å; R488-D490 PolarHBondContact O-N 3.44Å; R488-D490 VanDerWaalsContact O-N 3.1Å; R488-Y491 WeakPolarHBondContact O-CB 3.3Å; R488-Y491 PolarHBondContact O-N 2.86Å
489P86.6Confident90.2Very high43 Ų4354.6 Ų54.628%0.27926%0.262SS..G310 helixtrans-60.7-25.5-177.227.2-36.2000113.4W484 N487 Y491W484-P489 HydrophobicContact CE3-CB 3.65Å; W484-P489 HydrophobicContact CZ3-CB 3.75Å; N487-P489 VanDerWaalsContact C-CD 3.45Å; P489-Y491 VanDerWaalsContact C-N 3.29Å; P489-Y491 PolarHBondContact O-N 3.11Å
490D86.6Confident89.5Confident111 Ų11159.3 Ų59.359%0.59428%0.284SS*.G310 helixtrans-80.4-3.6179.8-70-21.7000114.6R488R488-D490 PolarHBondContact O-N 3.44Å; R488-D490 VanDerWaalsContact O-N 3.1Å
491Y91.1Very high88.2Confident8 Ų862.9 Ų62.93%0.03131%0.308CS..G310 helixtrans-68.3-40.4-177.8-167.3-92.5000111.5L445 W449 L454 R455 R456 L457 F483 R488 P489L445-Y491 HydrophobicContact CD2-CE1 4.21Å; W449-Y491 HydrophobicContact CB-CE1 4.45Å; W449-Y491 HydrophobicContact CE3-CE2 4Å; W449-Y491 HydrophobicContact CZ3-CE2 4.37Å; L454-Y491 WeakPolarHBondContact O-CE2 3.08Å; L454-Y491 VanDerWaalsContact O-CZ 3.31Å; L454-Y491 PolarHBondContact O-OH 2.85Å; R455-Y491 WeakPolarHBondContact O-CD2 3.35Å; R456-Y491 WeakPolarHBondContact CA-O 3.39Å; L457-Y491 PolarHBondContact N-O 3.32Å; F483-Y491 AromaticContact CD1-CD1 3.98Å; F483-Y491 HydrophobicContact CD1-CD1 3.98Å; F483-Y491 HydrophobicContact CD1-CG 4.04Å; F483-Y491 HydrophobicContact CD2-CD1 4.29Å; F483-Y491 AromaticContact CE1-CD1 3.37Å; F483-Y491 HydrophobicContact CE1-CD1 3.37Å; F483-Y491 HydrophobicContact CE1-CD2 4.5Å; F483-Y491 AromaticContact CE1-CE1 3.84Å; F483-Y491 HydrophobicContact CE1-CE1 3.84Å; F483-Y491 AromaticContact CE1-CG 3.76Å; F483-Y491 HydrophobicContact CE1-CG 3.76Å; F483-Y491 AromaticContact CE2-CD1 3.72Å; F483-Y491 HydrophobicContact CE2-CD1 3.72Å; F483-Y491 HydrophobicContact CE2-CE1 4.24Å; F483-Y491 HydrophobicContact CG-CD1 4.41Å; F483-Y491 AromaticContact CZ-CD1 3.23Å; F483-Y491 HydrophobicContact CZ-CD1 3.23Å; F483-Y491 AromaticContact CZ-CE1 3.5Å; F483-Y491 HydrophobicContact CZ-CE1 3.5Å; F483-Y491 VanDerWaalsContact CZ-CE1 3.5Å; F483-Y491 HydrophobicContact CZ-CG 4.09Å; R488-Y491 WeakPolarHBondContact O-CB 3.3Å; R488-Y491 PolarHBondContact O-N 2.86Å; P489-Y491 VanDerWaalsContact C-N 3.29Å; P489-Y491 PolarHBondContact O-N 3.11Å
492V92.1Very high86.5Confident5 Ų566.2 Ų66.23%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-124.3112.9176.3-169.90000110.3L457 L479 F483 I494L457-V492 HydrophobicContact CB-CG1 4.48Å; L457-V492 HydrophobicContact CB-CG2 4.48Å; L457-V492 HydrophobicContact CD2-CG1 4.2Å; L457-V492 WeakPolarHBondContact O-CA 3.21Å; L479-V492 HydrophobicContact CD2-CG1 4.16Å; L479-V492 HydrophobicContact CD2-CG2 4.07Å; L479-V492 HydrophobicContact CG-CG2 4.44Å; F483-V492 HydrophobicContact CD2-CB 4.49Å; F483-V492 HydrophobicContact CD2-CG2 3.63Å; F483-V492 HydrophobicContact CE2-CG2 3.47Å; F483-V492 VanDerWaalsContact CE2-CG2 3.47Å; F483-V492 HydrophobicContact CZ-CG2 4.35Å; V492-I494 HydrophobicContact CG1-CD1 4.3Å; V492-I494 HydrophobicContact CG1-CG1 3.84Å
493N92.4Very high84.6Confident53 Ų5367.6 Ų67.628%0.28335%0.35SS..EExtended strand (participates in β ladder)trans-99.3107.6172.9-169.4-19.8000110L457 Y458 F459 R518L457-N493 PolarHBondContact O-N 3.31Å; Y458-N493 HydrophobicContact CD1-CB 4.02Å; Y458-N493 HydrophobicContact CE1-CB 4.45Å; F459-N493 PolarHBondContact N-O 3.43Å; N493-R518 PolarHBondContact OD1-NH1 3.09Å
494I92.4Very high82.9Confident1 Ų174.8 Ų74.81%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-96.4128.6-179.5-60.2167000109.1F459 L476 V492 L496 L515 R518F459-I494 HydrophobicContact CD1-CG1 4.43Å; F459-I494 HydrophobicContact CD1-CG2 4.18Å; F459-I494 WeakPolarHBondContact O-CA 3.32Å; L476-I494 HydrophobicContact CB-CD1 4.22Å; L476-I494 HydrophobicContact CD1-CG2 4.47Å; L476-I494 HydrophobicContact CD2-CD1 4Å; L476-I494 HydrophobicContact CD2-CG1 4.49Å; V492-I494 HydrophobicContact CG1-CD1 4.3Å; V492-I494 HydrophobicContact CG1-CG1 3.84Å; I494-L496 HydrophobicContact CG2-CD2 4.03Å; I494-L496 HydrophobicContact CG2-CG 4.22Å; I494-L515 HydrophobicContact CG2-CD2 4.29Å; I494-R518 WeakPolarHBondContact O-CD 3.37Å; I494-R518 PolarHBondContact O-NH1 3.49Å
495Q92.4Very high81.1Confident38 Ų3874.4 Ų74.418%0.17839%0.392CS..EExtended strand (participates in β ladder)trans-130.5125.4169.3-63-175.5-400110.1F459 I460 W461 Y497F459-Q495 PolarHBondContact O-N 3.36Å; I460-Q495 WeakPolarHBondContact CA-O 3.37Å; I460-Q495 HydrophobicContact CG1-CB 4.5Å; W461-Q495 PolarHBondContact N-O 3.01Å; Q495-Y497 HydrophobicContact CB-CD2 4.41Å; Q495-Y497 HydrophobicContact CB-CE2 3.75Å; Q495-Y497 PolarHBondContact OE1-OH 3.31Å
496L91.7Very high79.3Confident1 Ų176.2 Ų76.21%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-108.3133.9178.9-54.9-179.9000108.8W461 F469 L476 I494 L515 R518 L519 I520W461-L496 HydrophobicContact CB-CD2 4Å; W461-L496 HydrophobicContact CE3-CD2 4.05Å; F469-L496 HydrophobicContact CD1-CD1 4.18Å; F469-L496 HydrophobicContact CD1-CD2 4.07Å; F469-L496 HydrophobicContact CD1-CG 4.5Å; F469-L496 HydrophobicContact CE1-CB 4Å; F469-L496 HydrophobicContact CE1-CD1 4.44Å; F469-L496 HydrophobicContact CE1-CD2 3.88Å; F469-L496 HydrophobicContact CE1-CG 4.32Å; F469-L496 HydrophobicContact CZ-CB 4.13Å; L476-L496 HydrophobicContact CD1-CD2 4.2Å; I494-L496 HydrophobicContact CG2-CD2 4.03Å; I494-L496 HydrophobicContact CG2-CG 4.22Å; L496-L515 HydrophobicContact CD1-CB 4.16Å; L496-R518 PolarHBondContact N-O 2.91Å; L496-R518 VanDerWaalsContact N-O 3.07Å; L496-L519 HydrophobicContact CB-CD1 3.73Å; L496-L519 CarbonylContact O-C 3.6Å; L496-L519 WeakPolarHBondContact O-CA 3.47Å; L496-I520 PolarHBondContact O-N 3.42Å
497Y91.1Very high77.2Confident15 Ų1574.3 Ų74.36%0.05939%0.389CS..EExtended strand (participates in β ladder)trans-122.1123.5180-72.3-97.3000111.2I460 W461 V462 C463 Q495 I520 P524I460-Y497 HydrophobicContact CG2-CD2 3.76Å; I460-Y497 HydrophobicContact CG2-CE2 3.74Å; W461-Y497 PolarHBondContact O-N 2.85Å; V462-Y497 WeakPolarHBondContact CA-O 3.27Å; C463-Y497 PolarHBondContact N-O 3.47Å; Q495-Y497 HydrophobicContact CB-CD2 4.41Å; Q495-Y497 HydrophobicContact CB-CE2 3.75Å; Q495-Y497 PolarHBondContact OE1-OH 3.31Å; Y497-I520 VanDerWaalsContact CA-O 3.31Å; Y497-I520 WeakPolarHBondContact CA-O 3.45Å; Y497-I520 HydrophobicContact CD1-CB 3.86Å; Y497-I520 HydrophobicContact CD1-CG2 3.92Å; Y497-I520 HydrophobicContact CE1-CB 3.81Å; Y497-I520 HydrophobicContact CE1-CD1 3.92Å; Y497-I520 HydrophobicContact CE1-CG1 4.47Å; Y497-I520 HydrophobicContact CE1-CG2 3.68Å; Y497-I520 HydrophobicContact CE2-CD1 4.35Å; Y497-I520 HydrophobicContact CG-CB 4.48Å; Y497-P524 HydrophobicContact CD1-CB 4.11Å; Y497-P524 HydrophobicContact CD1-CG 3.68Å; Y497-P524 HydrophobicContact CD2-CB 4.39Å; Y497-P524 HydrophobicContact CD2-CG 3.77Å; Y497-P524 HydrophobicContact CE1-CB 3.89Å; Y497-P524 HydrophobicContact CE1-CG 3.97Å; Y497-P524 HydrophobicContact CE2-CB 4.18Å; Y497-P524 HydrophobicContact CE2-CG 4.07Å; Y497-P524 HydrophobicContact CG-CB 4.35Å; Y497-P524 HydrophobicContact CG-CG 3.56Å
498L88.5Confident75.6Confident24 Ų2468.7 Ų68.713%0.12636%0.359CS..EExtended strand (participates in β ladder)trans-99.8110.8173.9-173.268.5000109.6R464 I466 F469 Q500 L519 I520 G522R464-L498 VanDerWaalsContact O-CD1 3.25Å; R464-L498 WeakPolarHBondContact O-CD1 3.46Å; I466-L498 HydrophobicContact CB-CD1 3.99Å; I466-L498 HydrophobicContact CB-CD2 4.31Å; I466-L498 HydrophobicContact CD1-CD2 4.36Å; F469-L498 HydrophobicContact CE2-CD1 4.36Å; L498-Q500 WeakPolarHBondContact CG-O 3.44Å; L498-L519 HydrophobicContact CB-CD1 4.32Å; L498-I520 PolarHBondContact N-O 3.07Å; L498-G522 PolarHBondContact O-N 2.75Å
499S83.5Confident74.1Confident35 Ų3565.2 Ų65.225%0.24536%0.363CS..  trans-84.9-19.8-170.459.50000115.4C463 R464C463-S499 PolarHBondContact O-N 3.28Å; C463-S499 PolarHBondContact O-OG 2.76Å; R464-S499 WeakPolarHBondContact CA-OG 3.18Å
500Q76.6Confident72.8Confident100 Ų10072.2 Ų72.247%0.46739%0.392SS..  trans-108143.1173.3-75.4179.3-37.400110.1L498L498-Q500 WeakPolarHBondContact CG-O 3.44Å
501T62.8Low71.9Confident96 Ų9673.9 Ų73.959%0.58939%0.394SS*.  trans-104.8-0.8-173.4460000113.6G503 I521T501-G503 PolarHBondContact O-N 3.42Å; T501-G503 VanDerWaalsContact O-N 3.1Å; T501-I521 HydrophobicContact CG2-CG2 3.79Å
502D54.5Low71Confident147 Ų14775.1 Ų75.179%0.78640%0.399SS*.SBendtrans-73108.8-171.5-63.8-21.8000110.3
503G51.4Low70Confident65 Ų6581.4 Ų81.467%0.6743%0.428SS*.  trans81.189.8179.500000112.8T501 Q505T501-G503 PolarHBondContact O-N 3.42Å; T501-G503 VanDerWaalsContact O-N 3.1Å; G503-Q505 PolarHBondContact O-N 2.97Å
504I54.9Low69.2Low154 Ų15481.1 Ų81.179%0.7943%0.428SS*.  trans-67.578.8161.8-56.9172000107.4
505Q52.6Low68.5Low153 Ų15381.2 Ų81.272%0.71543%0.428SS*.  trans-97.5122.8155.2-79.6174.3-5.200106G503 I507G503-Q505 PolarHBondContact O-N 2.97Å; Q505-I507 VanDerWaalsContact C-N 3.26Å; Q505-I507 PolarHBondContact O-N 3.21Å
506K53.1Low67.7Low204 Ų20482 Ų8289%0.88743%0.434SS*.  trans-52.290.8169.6-72.2175.6176.7176.40108.5I508K506-I508 PolarHBondContact O-N 3.38Å
507I48.7Very low67.1Low39 Ų3986.4 Ų86.420%0.247%0.465CS..  trans-96.292.8170.6-68.3174.9000106.4I466 R467 Q505I466-I507 HydrophobicContact CB-CB 4.17Å; I466-I507 HydrophobicContact CB-CG2 4.4Å; I466-I507 HydrophobicContact CD1-CB 3.68Å; I466-I507 HydrophobicContact CD1-CG2 4.38Å; I466-I507 VanDerWaalsContact CD1-O 3.31Å; I466-I507 WeakPolarHBondContact CD1-O 3.29Å; I466-I507 HydrophobicContact CG1-CB 3.65Å; I466-I507 HydrophobicContact CG1-CG2 3.85Å; I466-I507 HydrophobicContact CG2-CB 3.49Å; I466-I507 VanDerWaalsContact CG2-CB 3.49Å; I466-I507 HydrophobicContact CG2-CD1 3.2Å; I466-I507 HydrophobicContact CG2-CG1 3.76Å; I466-I507 HydrophobicContact CG2-CG2 3.9Å; R467-I507 HydrophobicContact CG-CD1 4.2Å; Q505-I507 VanDerWaalsContact C-N 3.26Å; Q505-I507 PolarHBondContact O-N 3.21Å
508I56.1Low66.7Low23 Ų2389.1 Ų89.112%0.11848%0.475CS..SBendtrans173112.8148.5-91.4154.5000102.5K506 Y512 N516K506-I508 PolarHBondContact O-N 3.38Å; I508-Y512 HydrophobicContact CB-CD2 4.37Å; I508-Y512 HydrophobicContact CG1-CD2 4.02Å; I508-Y512 HydrophobicContact CG1-CG 4.34Å; I508-Y512 VanDerWaalsContact CG2-C 3.42Å; I508-Y512 VanDerWaalsContact CG2-CA 3.49Å; I508-Y512 HydrophobicContact CG2-CD2 3.86Å; I508-Y512 HydrophobicContact CG2-CG 4.02Å; I508-Y512 WeakPolarHBondContact CG2-O 3.46Å; I508-N516 WeakPolarHBondContact CB-OD1 3.24Å; I508-N516 WeakPolarHBondContact CD1-OD1 3.15Å; I508-N516 VanDerWaalsContact CG2-CG 3.43Å; I508-N516 WeakPolarHBondContact CG2-ND2 3.47Å; I508-N516 WeakPolarHBondContact CG2-OD1 3.27Å
509G56.7Low66.7Low55 Ų5590 Ų9057%0.56748%0.479SS*.  trans-58.4172.5168.300000111K511 Y512G509-K511 PolarHBondContact O-N 3.39Å; G509-Y512 PolarHBondContact O-N 3.41Å; G509-Y512 VanDerWaalsContact O-N 3.1Å
510E59.6Low66.9Low189 Ų18991.6 Ų91.688%0.88348%0.484SS*.G310 helixtrans-46.6-28.9-177.2-66.2-176.1156.300114.1Y512 H513E510-Y512 VanDerWaalsContact C-N 3.29Å; E510-Y512 PolarHBondContact O-N 2.99Å; E510-Y512 VanDerWaalsContact O-N 3.16Å; E510-H513 PolarHBondContact O-N 3.45Å
511K66.8Low67.4Low146 Ų14691.9 Ų91.964%0.63549%0.488SS*.G310 helixtrans-50.7-34176.7-166.6-176.8179.3-156.30115.5D474 G509D474-K511 IonicContact OD1-NZ 3.02Å; D474-K511 PolarHBondContact OD1-NZ 3.09Å; D474-K511 IonicContact OD2-NZ 2.85Å; G509-K511 PolarHBondContact O-N 3.39Å
512Y72.8Confident68.6Low34 Ų3488.3 Ų88.313%0.13347%0.471CS..G310 helixtrans-116.331.5-178.6-35-93.1000114.6A473 D474 I508 G509 E510 T514 L515 N516A473-Y512 HydrophobicContact CB-CD1 3.64Å; A473-Y512 HydrophobicContact CB-CE1 3.55Å; A473-Y512 HydrophobicContact CB-CG 4.22Å; D474-Y512 WeakPolarHBondContact OD1-CE1 3.36Å; D474-Y512 VanDerWaalsContact OD1-CZ 3.3Å; D474-Y512 PolarHBondContact OD1-OH 3.28Å; I508-Y512 HydrophobicContact CB-CD2 4.37Å; I508-Y512 HydrophobicContact CG1-CD2 4.02Å; I508-Y512 HydrophobicContact CG1-CG 4.34Å; I508-Y512 VanDerWaalsContact CG2-C 3.42Å; I508-Y512 VanDerWaalsContact CG2-CA 3.49Å; I508-Y512 HydrophobicContact CG2-CD2 3.86Å; I508-Y512 HydrophobicContact CG2-CG 4.02Å; I508-Y512 WeakPolarHBondContact CG2-O 3.46Å; G509-Y512 PolarHBondContact O-N 3.41Å; G509-Y512 VanDerWaalsContact O-N 3.1Å; E510-Y512 VanDerWaalsContact C-N 3.29Å; E510-Y512 PolarHBondContact O-N 2.99Å; E510-Y512 VanDerWaalsContact O-N 3.16Å; Y512-T514 PolarHBondContact O-N 2.89Å; Y512-T514 VanDerWaalsContact O-N 3.09Å; Y512-L515 HydrophobicContact CD1-CD1 4.36Å; Y512-L515 PolarHBondContact O-N 3.48Å; Y512-N516 PolarHBondContact O-N 3.32Å; Y512-N516 VanDerWaalsContact O-N 3.09Å
513H71.9Confident70.2Confident138 Ų13891.4 Ų91.464%0.63947%0.471SS*.Hα-helixtrans-50.1-36.3178.1-174.5-85.3000113.9E510 L515 N516 S517E510-H513 PolarHBondContact O-N 3.45Å; H513-L515 PolarHBondContact O-N 2.89Å; H513-N516 WeakPolarHBondContact O-CB 3.47Å; H513-N516 PolarHBondContact O-N 3.49Å; H513-S517 PolarHBondContact O-N 3.35Å
514T74.7Confident72.1Confident47 Ų4788.8 Ų88.829%0.28844%0.442SS..Hα-helixtrans-61.4-41.3176.850.20000112.7Y512 S517Y512-T514 PolarHBondContact O-N 2.89Å; Y512-T514 VanDerWaalsContact O-N 3.09Å; T514-S517 PolarHBondContact O-OG 3.35Å
515L78.3Confident73.9Confident2 Ų290.5 Ų90.51%0.0144%0.439CS..Hα-helixtrans-74.9-32.5177.2-63.1178000112A473 L476 I494 L496 Y512 H513 S517 R518 L519A473-L515 HydrophobicContact CB-CD1 3.78Å; L476-L515 HydrophobicContact CB-CD1 4.06Å; L476-L515 HydrophobicContact CB-CD2 3.92Å; L476-L515 HydrophobicContact CD1-CD1 4.46Å; L476-L515 HydrophobicContact CD1-CD2 4.42Å; I494-L515 HydrophobicContact CG2-CD2 4.29Å; L496-L515 HydrophobicContact CD1-CB 4.16Å; Y512-L515 HydrophobicContact CD1-CD1 4.36Å; Y512-L515 PolarHBondContact O-N 3.48Å; H513-L515 PolarHBondContact O-N 2.89Å; L515-S517 VanDerWaalsContact C-N 3.31Å; L515-S517 PolarHBondContact O-N 2.79Å; L515-R518 CarbonylContact O-C 3.47Å; L515-R518 WeakPolarHBondContact O-CA 3.4Å; L515-R518 PolarHBondContact O-N 3.49Å; L515-L519 PolarHBondContact O-N 3.22Å; L515-L519 VanDerWaalsContact O-N 3.14Å
516N76.5Confident75.9Confident56 Ų5684.6 Ų84.630%0.29941%0.41SS..Hα-helixtrans-58.1-42.6175.5-78.6-13.4000112.6I508 Y512 H513 R518 L519I508-N516 WeakPolarHBondContact CB-OD1 3.24Å; I508-N516 WeakPolarHBondContact CD1-OD1 3.15Å; I508-N516 VanDerWaalsContact CG2-CG 3.43Å; I508-N516 WeakPolarHBondContact CG2-ND2 3.47Å; I508-N516 WeakPolarHBondContact CG2-OD1 3.27Å; Y512-N516 PolarHBondContact O-N 3.32Å; Y512-N516 VanDerWaalsContact O-N 3.09Å; H513-N516 WeakPolarHBondContact O-CB 3.47Å; H513-N516 PolarHBondContact O-N 3.49Å; N516-R518 PolarHBondContact O-N 3.33Å; N516-R518 VanDerWaalsContact O-N 3.08Å; N516-L519 WeakPolarHBondContact O-CB 3.5Å; N516-L519 PolarHBondContact O-N 2.82Å; N516-L519 VanDerWaalsContact O-N 3.14Å
517S77.6Confident77.7Confident93 Ų9380 Ų8065%0.6539%0.39SS*.THydrogen-bonded Turntrans-61.9-17.5177.271.70000113.7H513 T514 L515H513-S517 PolarHBondContact O-N 3.35Å; T514-S517 PolarHBondContact O-OG 3.35Å; L515-S517 VanDerWaalsContact C-N 3.31Å; L515-S517 PolarHBondContact O-N 2.79Å
518R84Confident79.9Confident72 Ų7282.3 Ų82.327%0.27240%0.402SS..THydrogen-bonded Turntrans-110.54.7-177.4-65.4172.2175.4-85.8-2.2112.8N493 I494 L496 L515 N516N493-R518 PolarHBondContact OD1-NH1 3.09Å; I494-R518 WeakPolarHBondContact O-CD 3.37Å; I494-R518 PolarHBondContact O-NH1 3.49Å; L496-R518 PolarHBondContact N-O 2.91Å; L496-R518 VanDerWaalsContact N-O 3.07Å; L515-R518 CarbonylContact O-C 3.47Å; L515-R518 WeakPolarHBondContact O-CA 3.4Å; L515-R518 PolarHBondContact O-N 3.49Å; N516-R518 PolarHBondContact O-N 3.33Å; N516-R518 VanDerWaalsContact O-N 3.08Å
519L86.7Confident81.6Confident41 Ų4181.9 Ų81.922%0.21540%0.4CS..EExtended strand (participates in β ladder)trans-85.4123175.2-177.767.1000109.6I466 F469 L496 L498 L515 N516I466-L519 HydrophobicContact CD1-CD2 3.86Å; F469-L519 HydrophobicContact CE2-CD1 4.11Å; F469-L519 HydrophobicContact CZ-CD1 4.47Å; L496-L519 HydrophobicContact CB-CD1 3.73Å; L496-L519 CarbonylContact O-C 3.6Å; L496-L519 WeakPolarHBondContact O-CA 3.47Å; L498-L519 HydrophobicContact CB-CD1 4.32Å; L515-L519 PolarHBondContact O-N 3.22Å; L515-L519 VanDerWaalsContact O-N 3.14Å; N516-L519 WeakPolarHBondContact O-CB 3.5Å; N516-L519 PolarHBondContact O-N 2.82Å; N516-L519 VanDerWaalsContact O-N 3.14Å
520I89Confident83.4Confident70 Ų7079.6 Ų79.636%0.35938%0.375SS..EExtended strand (participates in β ladder)trans-115.1129.4-179.4-59.1169.2000108.3L496 Y497 L498L496-I520 PolarHBondContact O-N 3.42Å; Y497-I520 VanDerWaalsContact CA-O 3.31Å; Y497-I520 WeakPolarHBondContact CA-O 3.45Å; Y497-I520 HydrophobicContact CD1-CB 3.86Å; Y497-I520 HydrophobicContact CD1-CG2 3.92Å; Y497-I520 HydrophobicContact CE1-CB 3.81Å; Y497-I520 HydrophobicContact CE1-CD1 3.92Å; Y497-I520 HydrophobicContact CE1-CG1 4.47Å; Y497-I520 HydrophobicContact CE1-CG2 3.68Å; Y497-I520 HydrophobicContact CE2-CD1 4.35Å; Y497-I520 HydrophobicContact CG-CB 4.48Å; L498-I520 PolarHBondContact N-O 3.07Å
521I86.8Confident85Confident105 Ų10573.7 Ų73.754%0.53835%0.349SS..EExtended strand (participates in β ladder)trans-85.3132.4176.6-59.3173.3000109T501T501-I521 HydrophobicContact CG2-CG2 3.79Å
522G87.4Confident86.3Confident22 Ų2272.1 Ų72.123%0.22734%0.344CS..SBendtrans106.6-173.2-179.800000113.6L498L498-G522 PolarHBondContact O-N 2.75Å
523R88.4Confident87.2Confident212 Ų21270.8 Ų70.880%0.834%0.339SS*.  trans-86.9141.4-178-63.7-175.1-176.2-168.23.4110.9R525R523-R525 PolarHBondContact O-N 3.01Å
524P91.8Very high88.2Confident10 Ų1064.3 Ų64.37%0.06531%0.309CS..  trans-59131.7175.2-18.426.9000111.6V462 Y497 W526 L529V462-P524 HydrophobicContact CG2-CG 3.62Å; Y497-P524 HydrophobicContact CD1-CB 4.11Å; Y497-P524 HydrophobicContact CD1-CG 3.68Å; Y497-P524 HydrophobicContact CD2-CB 4.39Å; Y497-P524 HydrophobicContact CD2-CG 3.77Å; Y497-P524 HydrophobicContact CE1-CB 3.89Å; Y497-P524 HydrophobicContact CE1-CG 3.97Å; Y497-P524 HydrophobicContact CE2-CB 4.18Å; Y497-P524 HydrophobicContact CE2-CG 4.07Å; Y497-P524 HydrophobicContact CG-CB 4.35Å; Y497-P524 HydrophobicContact CG-CG 3.56Å; P524-W526 VanDerWaalsContact C-N 3.27Å; P524-W526 HydrophobicContact CB-CD2 3.94Å; P524-W526 HydrophobicContact CB-CE3 3.96Å; P524-W526 HydrophobicContact CB-CH2 3.81Å; P524-W526 HydrophobicContact CB-CZ2 3.79Å; P524-W526 HydrophobicContact CB-CZ3 3.91Å; P524-W526 HydrophobicContact CG-CH2 3.63Å; P524-W526 HydrophobicContact CG-CZ2 3.56Å; P524-W526 HydrophobicContact CG-CZ3 4.21Å; P524-W526 PolarHBondContact O-N 3.17Å; P524-L529 HydrophobicContact CB-CD1 3.81Å
525R93.1Very high89.1Confident190 Ų19067.7 Ų67.772%0.71732%0.32SS*.  trans-79.978.6170.5-66.2-176.3179.9-1760.6109.1R523 K527 L528 L529R523-R525 PolarHBondContact O-N 3.01Å; R525-K527 VanDerWaalsContact C-N 3.26Å; R525-K527 PolarHBondContact O-N 3.2Å; R525-K527 VanDerWaalsContact O-N 3.11Å; R525-L528 HydrophobicContact CB-CB 4.29Å; R525-L528 HydrophobicContact CB-CD1 3.96Å; R525-L528 HydrophobicContact CB-CG 4.28Å; R525-L528 HydrophobicContact CG-CD1 4.43Å; R525-L528 PolarHBondContact O-N 2.88Å; R525-L528 VanDerWaalsContact O-N 3.08Å; R525-L529 PolarHBondContact O-N 3.25Å; R525-L529 VanDerWaalsContact O-N 3.11Å
526W93.4Very high89.7Confident29 Ų2971.3 Ų71.311%0.1135%0.345CS..Hα-helixtrans-51.5-39.2-171.4-60.2115.6000114.6V429 I460 V462 P524 L529 F530 I552 T555 L556 L559V429-W526 HydrophobicContact CG1-CH2 3.42Å; V429-W526 VanDerWaalsContact CG1-CH2 3.42Å; V429-W526 HydrophobicContact CG1-CZ2 4.36Å; V429-W526 HydrophobicContact CG1-CZ3 3.83Å; V429-W526 HydrophobicContact CG2-CZ3 4.16Å; I460-W526 HydrophobicContact CD1-CZ3 4.18Å; I460-W526 HydrophobicContact CG2-CH2 4.06Å; I460-W526 HydrophobicContact CG2-CZ3 4.05Å; V462-W526 HydrophobicContact CG2-CH2 3.99Å; V462-W526 HydrophobicContact CG2-CZ2 4.19Å; P524-W526 VanDerWaalsContact C-N 3.27Å; P524-W526 HydrophobicContact CB-CD2 3.94Å; P524-W526 HydrophobicContact CB-CE3 3.96Å; P524-W526 HydrophobicContact CB-CH2 3.81Å; P524-W526 HydrophobicContact CB-CZ2 3.79Å; P524-W526 HydrophobicContact CB-CZ3 3.91Å; P524-W526 HydrophobicContact CG-CH2 3.63Å; P524-W526 HydrophobicContact CG-CZ2 3.56Å; P524-W526 HydrophobicContact CG-CZ3 4.21Å; P524-W526 PolarHBondContact O-N 3.17Å; W526-L529 HydrophobicContact CE3-CD1 4.23Å; W526-L529 PolarHBondContact O-N 2.9Å; W526-F530 WeakPolarHBondContact O-CB 3.36Å; W526-F530 VanDerWaalsContact O-CD2 3.25Å; W526-F530 WeakPolarHBondContact O-CD2 3.35Å; W526-F530 PolarHBondContact O-N 2.59Å; W526-I552 HydrophobicContact CH2-CG2 4.24Å; W526-I552 HydrophobicContact CZ2-CD1 4.46Å; W526-I552 HydrophobicContact CZ2-CG1 4.46Å; W526-I552 HydrophobicContact CZ2-CG2 3.71Å; W526-T555 HydrophobicContact CB-CG2 4.41Å; W526-T555 HydrophobicContact CG-CG2 4.3Å; W526-L556 HydrophobicContact CD2-CD2 3.95Å; W526-L556 HydrophobicContact CE3-CD2 3.65Å; W526-L556 HydrophobicContact CG-CD2 4.42Å; W526-L556 HydrophobicContact CZ3-CD2 4.11Å; W526-L559 HydrophobicContact CB-CD1 3.39Å; W526-L559 HydrophobicContact CG-CD1 4.49Å
527K92.4Very high90.4Very high107 Ų10768.9 Ų68.947%0.46533%0.332SS..Hα-helixtrans-62.4-48.9179.2-173.1175.4178.51800111.8R525 L529 F530 D531 L559R525-K527 VanDerWaalsContact C-N 3.26Å; R525-K527 PolarHBondContact O-N 3.2Å; R525-K527 VanDerWaalsContact O-N 3.11Å; K527-L529 VanDerWaalsContact C-N 3.34Å; K527-L529 PolarHBondContact O-N 2.96Å; K527-F530 PolarHBondContact O-N 3.44Å; K527-D531 VanDerWaalsContact O-CG 3.27Å; K527-D531 PolarHBondContact O-N 3.09Å; K527-L559 HydrophobicContact CB-CD2 4.35Å; K527-L559 HydrophobicContact CG-CD2 4.49Å
528L93.2Very high91.1Very high88 Ų8872.3 Ų72.346%0.46133%0.331SS..Hα-helixtrans-62.4-43.1178.3-63.6177.7000111.3R525 F530 D531 E532R525-L528 HydrophobicContact CB-CB 4.29Å; R525-L528 HydrophobicContact CB-CD1 3.96Å; R525-L528 HydrophobicContact CB-CG 4.28Å; R525-L528 HydrophobicContact CG-CD1 4.43Å; R525-L528 PolarHBondContact O-N 2.88Å; R525-L528 VanDerWaalsContact O-N 3.08Å; L528-F530 PolarHBondContact O-N 3.19Å; L528-D531 PolarHBondContact O-N 3.29Å; L528-E532 WeakPolarHBondContact O-CB 3.34Å; L528-E532 WeakPolarHBondContact O-CG 3.4Å; L528-E532 PolarHBondContact O-N 3.36Å
529L93.2Very high91.2Very high13 Ų1371.9 Ų71.97%0.06835%0.349CS..Hα-helixtrans-61.5-42.4176.8-71165.6000112.1I460 P524 R525 W526 K527 E532 I533I460-L529 HydrophobicContact CD1-CD1 4.08Å; P524-L529 HydrophobicContact CB-CD1 3.81Å; R525-L529 PolarHBondContact O-N 3.25Å; R525-L529 VanDerWaalsContact O-N 3.11Å; W526-L529 HydrophobicContact CE3-CD1 4.23Å; W526-L529 PolarHBondContact O-N 2.9Å; K527-L529 VanDerWaalsContact C-N 3.34Å; K527-L529 PolarHBondContact O-N 2.96Å; L529-E532 PolarHBondContact O-N 3.03Å; L529-I533 WeakPolarHBondContact O-CB 3.21Å; L529-I533 WeakPolarHBondContact O-CD1 3.13Å; L529-I533 WeakPolarHBondContact O-CG1 3.32Å; L529-I533 PolarHBondContact O-N 3.46Å
530F94.2Very high91.4Very high7 Ų773.6 Ų73.63%0.03135%0.354CS..Hα-helixtrans-64.8-41.2175.6-92.3-115.7000111.8L427 W526 K527 L528 I533 A534 V544 L556 L559 F570L427-F530 HydrophobicContact CD2-CD2 4.41Å; L427-F530 HydrophobicContact CD2-CE2 3.69Å; L427-F530 HydrophobicContact CD2-CZ 3.86Å; W526-F530 WeakPolarHBondContact O-CB 3.36Å; W526-F530 VanDerWaalsContact O-CD2 3.25Å; W526-F530 WeakPolarHBondContact O-CD2 3.35Å; W526-F530 PolarHBondContact O-N 2.59Å; K527-F530 PolarHBondContact O-N 3.44Å; L528-F530 PolarHBondContact O-N 3.19Å; F530-I533 PolarHBondContact O-N 2.88Å; F530-A534 WeakPolarHBondContact O-CB 3.28Å; F530-A534 PolarHBondContact O-N 3.32Å; F530-V544 HydrophobicContact CE1-CG2 4.32Å; F530-V544 HydrophobicContact CZ-CG1 4.2Å; F530-V544 HydrophobicContact CZ-CG2 4.22Å; F530-L556 HydrophobicContact CE2-CD2 3.44Å; F530-L556 VanDerWaalsContact CE2-CD2 3.44Å; F530-L556 HydrophobicContact CZ-CD2 3.82Å; F530-L559 HydrophobicContact CD1-CB 4.01Å; F530-L559 HydrophobicContact CD2-CD1 4.31Å; F530-L559 HydrophobicContact CE1-CB 4.05Å; F530-L559 HydrophobicContact CG-CB 4.29Å; F530-L559 HydrophobicContact CZ-CB 4.39Å; F530-F570 HydrophobicContact CD1-CD1 4.09Å; F530-F570 HydrophobicContact CD1-CD2 4Å; F530-F570 HydrophobicContact CD1-CE1 4.03Å; F530-F570 AromaticContact CD1-CE2 3.94Å; F530-F570 HydrophobicContact CD1-CE2 3.94Å; F530-F570 HydrophobicContact CD1-CG 4.08Å; F530-F570 AromaticContact CD1-CZ 3.95Å; F530-F570 HydrophobicContact CD1-CZ 3.95Å; F530-F570 HydrophobicContact CE1-CB 4.36Å; F530-F570 AromaticContact CE1-CD1 3.89Å; F530-F570 HydrophobicContact CE1-CD1 3.89Å; F530-F570 HydrophobicContact CE1-CD2 4.3Å; F530-F570 HydrophobicContact CE1-CE1 4.22Å; F530-F570 AromaticContact CE1-CG 3.93Å; F530-F570 HydrophobicContact CE1-CG 3.93Å
531D92.8Very high91.5Very high66 Ų6672.8 Ų72.835%0.35335%0.352SS..Hα-helixtrans-65.3-42177.9-69.3-27.6000111.4K527 L528 A534 K535K527-D531 VanDerWaalsContact O-CG 3.27Å; K527-D531 PolarHBondContact O-N 3.09Å; L528-D531 PolarHBondContact O-N 3.29Å; D531-A534 PolarHBondContact O-N 3.47Å; D531-K535 WeakPolarHBondContact O-CB 3.42Å; D531-K535 PolarHBondContact O-N 3.1Å
532E93.3Very high91.8Very high112 Ų11267.8 Ų67.852%0.52333%0.327SS..Hα-helixtrans-63.4-46.9174.2-75.9175.9-174.500112.1L528 L529 A534 K535 C536L528-E532 WeakPolarHBondContact O-CB 3.34Å; L528-E532 WeakPolarHBondContact O-CG 3.4Å; L528-E532 PolarHBondContact O-N 3.36Å; L529-E532 PolarHBondContact O-N 3.03Å; E532-A534 VanDerWaalsContact C-N 3.31Å; E532-A534 PolarHBondContact O-N 2.89Å; E532-K535 PolarHBondContact O-N 2.61Å; E532-C536 WeakPolarHBondContact O-CB 3.32Å; E532-C536 PolarHBondContact O-N 3.38Å; E532-C536 PolarHBondContact O-SG 2.92Å; E532-C536 VanDerWaalsContact O-SG 3.37Å
533I93.3Very high92.1Very high7 Ų766.7 Ų66.74%0.03632%0.316CS..Hα-helixtrans-63.6-40.3177.2-68.3167.6000110.2L427 Y458 L529 F530 C536 N537 V542 F570L427-I533 HydrophobicContact CD1-CD1 3.91Å; L427-I533 HydrophobicContact CD2-CD1 3.96Å; L427-I533 HydrophobicContact CG-CD1 4.44Å; Y458-I533 HydrophobicContact CD1-CD1 4.27Å; Y458-I533 HydrophobicContact CD1-CG1 4.12Å; Y458-I533 HydrophobicContact CD2-CD1 4.4Å; Y458-I533 HydrophobicContact CD2-CG1 4.37Å; Y458-I533 HydrophobicContact CD2-CG2 4.34Å; Y458-I533 HydrophobicContact CE1-CG1 4.02Å; Y458-I533 HydrophobicContact CE2-CG1 4.28Å; Y458-I533 HydrophobicContact CE2-CG2 4Å; Y458-I533 HydrophobicContact CG-CD1 4.12Å; Y458-I533 HydrophobicContact CG-CG1 4.28Å; L529-I533 WeakPolarHBondContact O-CB 3.21Å; L529-I533 WeakPolarHBondContact O-CD1 3.13Å; L529-I533 WeakPolarHBondContact O-CG1 3.32Å; L529-I533 PolarHBondContact O-N 3.46Å; F530-I533 PolarHBondContact O-N 2.88Å; I533-C536 PolarHBondContact O-N 2.69Å; I533-N537 WeakPolarHBondContact O-CB 3.47Å; I533-N537 PolarHBondContact O-N 3.01Å; I533-N537 PolarHBondContact O-ND2 3.21Å; I533-V542 HydrophobicContact CG2-CG1 4.42Å; I533-V542 HydrophobicContact CG2-CG2 4.3Å; I533-F570 HydrophobicContact CG2-CE1 3.95Å; I533-F570 HydrophobicContact CG2-CZ 4.27Å
534A93Very high92.4Very high1 Ų156.6 Ų56.61%0.00828%0.278CS..Hα-helixtrans-64-44.8175.900000111.5F530 D531 E532 C536 N537 R538 N564 Y566 T568 F570F530-A534 WeakPolarHBondContact O-CB 3.28Å; F530-A534 PolarHBondContact O-N 3.32Å; D531-A534 PolarHBondContact O-N 3.47Å; E532-A534 VanDerWaalsContact C-N 3.31Å; E532-A534 PolarHBondContact O-N 2.89Å; A534-C536 VanDerWaalsContact C-N 3.3Å; A534-C536 PolarHBondContact O-N 3.4Å; A534-N537 CarbonylContact O-C 3.35Å; A534-N537 PolarHBondContact O-N 3.05Å; A534-N537 VanDerWaalsContact O-N 3.14Å; A534-R538 PolarHBondContact O-N 3.36Å; A534-N564 HydrophobicContact CB-CB 4.34Å; A534-Y566 HydrophobicContact CB-CD2 3.75Å; A534-Y566 HydrophobicContact CB-CG 4.46Å; A534-T568 WeakPolarHBondContact CA-OG1 3.13Å; A534-T568 HydrophobicContact CB-CG2 4.44Å; A534-T568 PolarHBondContact O-OG1 3.3Å; A534-F570 HydrophobicContact CB-CE2 4.07Å; A534-F570 HydrophobicContact CB-CZ 3.99Å
535K93.3Very high92.6Very high118 Ų11856.1 Ų56.151%0.51328%0.275SS..Hα-helixtrans-59.2-41.1177.4-172.7-177179.2-175.80112.1D531 E532 R538 Y566D531-K535 WeakPolarHBondContact O-CB 3.42Å; D531-K535 PolarHBondContact O-N 3.1Å; E532-K535 PolarHBondContact O-N 2.61Å; K535-R538 VanDerWaalsContact O-CG 3.32Å; K535-R538 WeakPolarHBondContact O-CG 3.47Å; K535-Y566 HydrophobicContact CB-CD2 4.22Å; K535-Y566 HydrophobicContact CB-CE1 4.23Å; K535-Y566 HydrophobicContact CB-CE2 3.83Å; K535-Y566 HydrophobicContact CG-CE1 4.04Å; K535-Y566 HydrophobicContact CG-CE2 4.44Å
536C91Very high92.6Very high79 Ų7947.1 Ų47.153%0.53424%0.241SC..Hα-helixtrans-75-21.2178.8-72.50000113.8E532 I533 A534E532-C536 WeakPolarHBondContact O-CB 3.32Å; E532-C536 PolarHBondContact O-N 3.38Å; E532-C536 PolarHBondContact O-SG 2.92Å; E532-C536 VanDerWaalsContact O-SG 3.37Å; I533-C536 PolarHBondContact O-N 2.69Å; A534-C536 VanDerWaalsContact C-N 3.3Å; A534-C536 PolarHBondContact O-N 3.4Å
537N91.4Very high92.6Very high4 Ų446.2 Ų46.22%0.02124%0.239CC..THydrogen-bonded Turntrans-127.251.9-173-58.3-75.4000111.2V425 Y458 I533 A534 G539 K540 V542 T568V425-N537 WeakPolarHBondContact CG2-OD1 3.25Å; Y458-N537 PolarHBondContact OH-ND2 2.97Å; Y458-N537 VanDerWaalsContact OH-ND2 3.1Å; I533-N537 WeakPolarHBondContact O-CB 3.47Å; I533-N537 PolarHBondContact O-N 3.01Å; I533-N537 PolarHBondContact O-ND2 3.21Å; A534-N537 CarbonylContact O-C 3.35Å; A534-N537 PolarHBondContact O-N 3.05Å; A534-N537 VanDerWaalsContact O-N 3.14Å; N537-G539 PolarHBondContact O-N 3.23Å; N537-K540 HydrophobicContact CB-CB 4.31Å; N537-K540 PolarHBondContact O-N 3.4Å; N537-V542 HydrophobicContact CB-CG2 4.31Å; N537-T568 WeakPolarHBondContact O-CG2 3.01Å; N537-T568 PolarHBondContact O-OG1 2.73Å
538R90.4Very high92.5Very high166 Ų16642.2 Ų42.263%0.62623%0.228SC*.THydrogen-bonded Turntrans-57.9132.1-178.1-57.5-171.6179.6-179.8-2.4111.5A534 K535 K540A534-R538 PolarHBondContact O-N 3.36Å; K535-R538 VanDerWaalsContact O-CG 3.32Å; K535-R538 WeakPolarHBondContact O-CG 3.47Å; R538-K540 PolarHBondContact O-N 3.21Å; R538-K540 VanDerWaalsContact O-N 3.08Å
539G86.8Confident92.2Very high63 Ų6341.1 Ų41.165%0.64923%0.226SC*.THydrogen-bonded Turntrans65.83.7179.300000116N537 Y566N537-G539 PolarHBondContact O-N 3.23Å; G539-Y566 PolarHBondContact N-O 3.25Å
540K90.3Very high91.9Very high77 Ų7744.1 Ų44.134%0.33525%0.248SC..  trans-93.4162178.8-65.7-172.3178.5-178.40112.1V425 N537 R538 T568 K569V425-K540 HydrophobicContact CG2-CD 4.26Å; N537-K540 HydrophobicContact CB-CB 4.31Å; N537-K540 PolarHBondContact O-N 3.4Å; R538-K540 PolarHBondContact O-N 3.21Å; R538-K540 VanDerWaalsContact O-N 3.08Å; K540-T568 WeakPolarHBondContact O-CA 3.37Å; K540-T568 WeakPolarHBondContact O-CG2 3.13Å; K540-K569 PolarHBondContact O-N 3.08Å
541T91.5Very high91.6Very high52 Ų5247.4 Ų47.432%0.31927%0.272SS..EExtended strand (participates in β ladder)trans-99.6122.4170.7-57.30000109.8Y423 K569 E571Y423-T541 HydrophobicContact CE1-CG2 4.31Å; T541-K569 CarbonylContact C-O 3.58Å; T541-K569 WeakPolarHBondContact CA-O 3.27Å; T541-K569 HydrophobicContact CG2-CB 4.38Å; T541-K569 HydrophobicContact CG2-CD 4.31Å; T541-E571 HydrophobicContact CG2-CG 3.81Å
542V94Very high91.5Very high0 Ų045.5 Ų45.50%026%0.261CS..EExtended strand (participates in β ladder)trans-104.8122.6178.6-179.10000109.2V425 L427 I533 N537 T568 K569 F570 E571V425-V542 HydrophobicContact CB-CG2 4.12Å; V425-V542 HydrophobicContact CG1-CG1 4.14Å; V425-V542 HydrophobicContact CG1-CG2 3.97Å; V425-V542 WeakPolarHBondContact O-CA 3.37Å; L427-V542 HydrophobicContact CB-CG1 4.05Å; I533-V542 HydrophobicContact CG2-CG1 4.42Å; I533-V542 HydrophobicContact CG2-CG2 4.3Å; N537-V542 HydrophobicContact CB-CG2 4.31Å; V542-T568 HydrophobicContact CG2-CG2 3.76Å; V542-K569 PolarHBondContact N-O 3.43Å; V542-F570 HydrophobicContact CB-CD1 3.72Å; V542-F570 HydrophobicContact CB-CE1 3.85Å; V542-F570 HydrophobicContact CG1-CD1 3.99Å; V542-F570 HydrophobicContact CG1-CE1 4Å; V542-F570 HydrophobicContact CG2-CD1 4.38Å; V542-F570 HydrophobicContact CG2-CE1 4.07Å; V542-F570 WeakPolarHBondContact O-CA 3.42Å; V542-E571 PolarHBondContact O-N 3.3Å
543G93.8Very high91.4Very high0 Ų040.6 Ų40.60%024%0.239CC..EExtended strand (participates in β ladder)trans-80.4117.5172.600000110.2V425 S426 L427 F545V425-G543 PolarHBondContact O-N 2.63Å; S426-G543 CarbonylContact C-O 3.59Å; S426-G543 WeakPolarHBondContact CA-O 3.32Å; L427-G543 PolarHBondContact N-O 3.24Å; G543-F545 WeakPolarHBondContact O-CD2 3.26Å; G543-F545 WeakPolarHBondContact O-CE2 3.46Å
544V95.1Very high91.3Very high0 Ų047 Ų470%027%0.267CS..EExtended strand (participates in β ladder)trans-99.9113.7178.5-176.30000108.9L427 F530 F570 E571 Y572 N573L427-V544 HydrophobicContact CB-CG2 4.38Å; L427-V544 HydrophobicContact CD2-CG1 4.15Å; L427-V544 HydrophobicContact CD2-CG2 4.19Å; L427-V544 HydrophobicContact CG-CG1 4.41Å; L427-V544 CarbonylContact O-C 3.54Å; L427-V544 WeakPolarHBondContact O-CA 3.28Å; F530-V544 HydrophobicContact CE1-CG2 4.32Å; F530-V544 HydrophobicContact CZ-CG1 4.2Å; F530-V544 HydrophobicContact CZ-CG2 4.22Å; V544-F570 HydrophobicContact CG2-CB 4.06Å; V544-F570 HydrophobicContact CG2-CD1 3.73Å; V544-F570 HydrophobicContact CG2-CG 4.35Å; V544-E571 PolarHBondContact N-O 3.01Å; V544-Y572 HydrophobicContact CB-CD2 4.28Å; V544-Y572 HydrophobicContact CG1-CD2 3.92Å; V544-Y572 HydrophobicContact CG1-CE2 4.39Å; V544-N573 PolarHBondContact O-N 2.84Å
545F94.7Very high91.3Very high0 Ų049.6 Ų49.60%028%0.283CS..EExtended strand (participates in β ladder)trans-110.9122-179.5-59.9-86.2000109.3P416 F417 S420 Y423 L427 V429 F438 G543 N573P416-F545 WeakPolarHBondContact O-CE1 3.28Å; F417-F545 HydrophobicContact CD1-CB 4.35Å; F417-F545 HydrophobicContact CD2-CD1 4.26Å; F417-F545 HydrophobicContact CE1-CB 4.07Å; F417-F545 HydrophobicContact CE2-CB 4.38Å; F417-F545 HydrophobicContact CE2-CD1 4.48Å; F417-F545 HydrophobicContact CG-CD1 4.35Å; F417-F545 HydrophobicContact CZ-CB 4.05Å; S420-F545 VanDerWaalsContact CA-CZ 3.42Å; Y423-F545 HydrophobicContact CD2-CE2 4.15Å; Y423-F545 AromaticContact CD2-CZ 3.84Å; Y423-F545 HydrophobicContact CD2-CZ 3.84Å; Y423-F545 HydrophobicContact CE2-CE2 4.34Å; Y423-F545 AromaticContact CE2-CZ 3.66Å; Y423-F545 HydrophobicContact CE2-CZ 3.66Å; L427-F545 PolarHBondContact O-N 3.01Å; V429-F545 PolarHBondContact N-O 3.09Å; F438-F545 HydrophobicContact CE1-CB 3.91Å; F438-F545 HydrophobicContact CZ-CB 4.13Å; G543-F545 WeakPolarHBondContact O-CD2 3.26Å; G543-F545 WeakPolarHBondContact O-CE2 3.46Å; F545-N573 WeakPolarHBondContact CA-O 3.37Å; F545-N573 HydrophobicContact CD1-CB 3.73Å; F545-N573 HydrophobicContact CE1-CB 3.9Å
546C94.4Very high91.3Very high1 Ų144 Ų441%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-126.5123.5-177.2178.90000111.3V429 L556 Y572 N573 K574 E575V429-C546 WeakPolarHBondContact O-CA 3.35Å; C546-L556 HydrophobicContact CB-CD1 3.89Å; C546-Y572 HydrophobicContact CB-CE2 3.77Å; C546-Y572 WeakPolarHBondContact CB-OH 3.28Å; C546-N573 PolarHBondContact N-O 3.35Å; C546-K574 WeakPolarHBondContact O-CA 3.37Å; C546-E575 PolarHBondContact O-N 3.27Å; C546-E575 VanDerWaalsContact O-N 3.11Å
547C92.3Very high91.3Very high10 Ų1042.5 Ų42.57%0.06824%0.244CC..EExtended strand (participates in β ladder)trans-129.6111.2169.4-175.60000108.9F417 V429 A430 G431 G434 P437 F438F417-C547 HydrophobicContact CE1-CB 4.05Å; F417-C547 HydrophobicContact CZ-CB 3.78Å; V429-C547 PolarHBondContact O-N 3.38Å; A430-C547 CarbonylContact C-O 3.53Å; A430-C547 WeakPolarHBondContact CA-O 3.24Å; G431-C547 PolarHBondContact N-O 2.84Å; G434-C547 WeakPolarHBondContact CA-SG 3.23Å; G434-C547 VanDerWaalsContact O-CB 3.24Å; G434-C547 WeakPolarHBondContact O-CB 3.45Å; G434-C547 PolarHBondContact O-SG 3.2Å; P437-C547 HydrophobicContact CG-CB 4.27Å; F438-C547 HydrophobicContact CE2-CB 4.46Å
548G89.5Confident91.3Very high23 Ų2346.9 Ų46.924%0.23727%0.267CS..SBendtrans164.1-167.7-174.300000113.8
549P87.8Confident91.4Very high65 Ų6540 Ų4042%0.42224%0.242SC..  trans-54147.4-176.9-27.334000114.3S551 I552 S553P549-S551 PolarHBondContact O-N 3.19Å; P549-S551 VanDerWaalsContact O-N 3.16Å; P549-I552 HydrophobicContact CG-CD1 4.49Å; P549-I552 PolarHBondContact O-N 3.44Å; P549-S553 PolarHBondContact O-N 3.24Å; P549-S553 VanDerWaalsContact O-N 3.1Å
550S86.4Confident91.5Very high76 Ų7637 Ų3753%0.53121%0.212SC..Hα-helixtrans-59.3-29.9-177.464.60000113.5K554S550-K554 WeakPolarHBondContact O-CB 3.47Å; S550-K554 VanDerWaalsContact O-CG 3.22Å; S550-K554 WeakPolarHBondContact O-CG 3.37Å; S550-K554 PolarHBondContact O-N 3.37Å
551S89Confident91.5Very high75 Ų7533.9 Ų33.952%0.52420%0.199SC..Hα-helixtrans-65.1-46.6176.454.60000112.9P549 T555P549-S551 PolarHBondContact O-N 3.19Å; P549-S551 VanDerWaalsContact O-N 3.16Å; S551-T555 PolarHBondContact O-N 3.36Å; S551-T555 VanDerWaalsContact O-N 3.14Å; S551-T555 PolarHBondContact O-OG1 2.93Å
552I90.8Very high91.3Very high26 Ų2633.9 Ų33.913%0.13320%0.195CC..Hα-helixtrans-63.9-47.9175.6-62.6179.6000109.1V429 W526 P549 K554 T555 L556V429-I552 HydrophobicContact CG1-CG2 4.18Å; W526-I552 HydrophobicContact CH2-CG2 4.24Å; W526-I552 HydrophobicContact CZ2-CD1 4.46Å; W526-I552 HydrophobicContact CZ2-CG1 4.46Å; W526-I552 HydrophobicContact CZ2-CG2 3.71Å; P549-I552 HydrophobicContact CG-CD1 4.49Å; P549-I552 PolarHBondContact O-N 3.44Å; I552-K554 PolarHBondContact O-N 3.26Å; I552-T555 PolarHBondContact O-N 3.37Å; I552-L556 HydrophobicContact CG2-CD1 3.77Å; I552-L556 HydrophobicContact CG2-CG 4.22Å; I552-L556 WeakPolarHBondContact O-CG 3.38Å; I552-L556 PolarHBondContact O-N 3.35Å
553S91.1Very high90.6Very high9 Ų937.5 Ų37.56%0.06322%0.22CC..Hα-helixtrans-56.5-47.5179.3170.30000112.7P549 T555 L556 H557 Y572 K574P549-S553 PolarHBondContact O-N 3.24Å; P549-S553 VanDerWaalsContact O-N 3.1Å; S553-T555 PolarHBondContact O-N 3.36Å; S553-L556 PolarHBondContact O-N 3.48Å; S553-H557 WeakPolarHBondContact O-CB 3.46Å; S553-H557 PolarHBondContact O-N 3.3Å; S553-Y572 VanDerWaalsContact CA-OH 3.3Å; S553-Y572 WeakPolarHBondContact CA-OH 3.4Å; S553-Y572 WeakPolarHBondContact CB-OH 3.29Å; S553-Y572 PolarHBondContact O-OH 2.91Å; S553-Y572 PolarHBondContact OG-OH 3.18Å; S553-K574 VanDerWaalsContact OG-CD 3.32Å; S553-K574 WeakPolarHBondContact OG-CD 3.29Å; S553-K574 WeakPolarHBondContact OG-CE 3.36Å
554K90.6Very high90.2Very high141 Ų14139.1 Ų39.161%0.61323%0.229SC*.Hα-helixtrans-60.8-43.2176.5-76.1174.2-178.2-175.90112.1S550 I552 H557 N558S550-K554 WeakPolarHBondContact O-CB 3.47Å; S550-K554 VanDerWaalsContact O-CG 3.22Å; S550-K554 WeakPolarHBondContact O-CG 3.37Å; S550-K554 PolarHBondContact O-N 3.37Å; I552-K554 PolarHBondContact O-N 3.26Å; K554-H557 PolarHBondContact O-N 3.17Å; K554-N558 WeakPolarHBondContact O-CB 3.02Å; K554-N558 VanDerWaalsContact O-CG 3.28Å; K554-N558 PolarHBondContact O-N 2.95Å
555T92.8Very high89.7Confident57 Ų5744.1 Ų44.135%0.3526%0.264SS..Hα-helixtrans-63.7-47-179.4-54.20000111.3W526 S551 I552 S553 N558 L559W526-T555 HydrophobicContact CB-CG2 4.41Å; W526-T555 HydrophobicContact CG-CG2 4.3Å; S551-T555 PolarHBondContact O-N 3.36Å; S551-T555 VanDerWaalsContact O-N 3.14Å; S551-T555 PolarHBondContact O-OG1 2.93Å; I552-T555 PolarHBondContact O-N 3.37Å; S553-T555 PolarHBondContact O-N 3.36Å; T555-N558 PolarHBondContact O-N 3.14Å; T555-L559 HydrophobicContact CG2-CD1 4.12Å; T555-L559 WeakPolarHBondContact O-CG 3.39Å; T555-L559 PolarHBondContact O-N 3.4Å
556L93.3Very high89.3Confident0 Ų047.6 Ų47.60%028%0.278CS..Hα-helixtrans-66.2-37.9179-67.2175.4000112.9V429 W526 F530 C546 I552 S553 L559 S560 Y572V429-L556 HydrophobicContact CB-CD1 3.87Å; V429-L556 HydrophobicContact CG1-CD1 3.9Å; V429-L556 HydrophobicContact CG2-CD1 3.92Å; W526-L556 HydrophobicContact CD2-CD2 3.95Å; W526-L556 HydrophobicContact CE3-CD2 3.65Å; W526-L556 HydrophobicContact CG-CD2 4.42Å; W526-L556 HydrophobicContact CZ3-CD2 4.11Å; F530-L556 HydrophobicContact CE2-CD2 3.44Å; F530-L556 VanDerWaalsContact CE2-CD2 3.44Å; F530-L556 HydrophobicContact CZ-CD2 3.82Å; C546-L556 HydrophobicContact CB-CD1 3.89Å; I552-L556 HydrophobicContact CG2-CD1 3.77Å; I552-L556 HydrophobicContact CG2-CG 4.22Å; I552-L556 WeakPolarHBondContact O-CG 3.38Å; I552-L556 PolarHBondContact O-N 3.35Å; S553-L556 PolarHBondContact O-N 3.48Å; L556-L559 PolarHBondContact O-N 3.28Å; L556-S560 VanDerWaalsContact O-CB 3.27Å; L556-S560 WeakPolarHBondContact O-CB 3.16Å; L556-S560 PolarHBondContact O-N 2.95Å; L556-S560 PolarHBondContact O-OG 3.43Å; L556-Y572 HydrophobicContact CB-CD2 4.22Å; L556-Y572 HydrophobicContact CB-CE2 3.67Å
557H91.9Very high88.9Confident48 Ų4850.2 Ų50.222%0.22231%0.305CS..Hα-helixtrans-62.1-46.6174.5178.1-101.1000111.2E12 S553 K554 L559 S560 N561 Y572E12-H557 IonicContact OE1-CD2 3.52Å; E12-H557 IonicContact OE1-CE1 3.72Å; E12-H557 IonicContact OE1-NE2 3.86Å; E12-H557 PolarHBondContact OE1-NE2 3.1Å; S553-H557 WeakPolarHBondContact O-CB 3.46Å; S553-H557 PolarHBondContact O-N 3.3Å; K554-H557 PolarHBondContact O-N 3.17Å; H557-L559 PolarHBondContact O-N 3.41Å; H557-S560 PolarHBondContact O-N 3.28Å; H557-N561 PolarHBondContact CE1-ND2 3.23Å; H557-N561 PolarHBondContact O-N 3.39Å; H557-N561 PolarHBondContact O-ND2 2.03Å; H557-N561 VanDerWaalsContact O-ND2 3.13Å; H557-Y572 HydrophobicContact CB-CD1 3.95Å; H557-Y572 HydrophobicContact CB-CD2 4.5Å; H557-Y572 HydrophobicContact CB-CE1 3.83Å; H557-Y572 HydrophobicContact CB-CE2 4.45Å; H557-Y572 HydrophobicContact CB-CG 4.26Å; H557-Y572 AromaticContact CD2-CD1 3.51Å
558N90.8Very high88.8Confident96 Ų9650 Ų5051%0.51330%0.303SS..Hα-helixtrans-60.1-47.2176.3-72.7-13.5000111.7K554 T555 S560 N561 Q562K554-N558 WeakPolarHBondContact O-CB 3.02Å; K554-N558 VanDerWaalsContact O-CG 3.28Å; K554-N558 PolarHBondContact O-N 2.95Å; T555-N558 PolarHBondContact O-N 3.14Å; N558-S560 VanDerWaalsContact C-N 3.33Å; N558-S560 PolarHBondContact O-N 2.78Å; N558-N561 PolarHBondContact O-N 3.5Å; N558-Q562 WeakPolarHBondContact O-CG 3.49Å; N558-Q562 PolarHBondContact O-N 2.94Å
559L91.8Very high88.8Confident20 Ų2051.2 Ų51.211%0.10530%0.302CS..Hα-helixtrans-64.5-36.5179.3-70.8171.9000112.5W526 K527 F530 T555 L556 H557 N561 Q562W526-L559 HydrophobicContact CB-CD1 3.39Å; W526-L559 HydrophobicContact CG-CD1 4.49Å; K527-L559 HydrophobicContact CB-CD2 4.35Å; K527-L559 HydrophobicContact CG-CD2 4.49Å; F530-L559 HydrophobicContact CD1-CB 4.01Å; F530-L559 HydrophobicContact CD2-CD1 4.31Å; F530-L559 HydrophobicContact CE1-CB 4.05Å; F530-L559 HydrophobicContact CG-CB 4.29Å; F530-L559 HydrophobicContact CZ-CB 4.39Å; T555-L559 HydrophobicContact CG2-CD1 4.12Å; T555-L559 WeakPolarHBondContact O-CG 3.39Å; T555-L559 PolarHBondContact O-N 3.4Å; L556-L559 PolarHBondContact O-N 3.28Å; H557-L559 PolarHBondContact O-N 3.41Å; L559-N561 PolarHBondContact O-N 3.29Å; L559-Q562 WeakPolarHBondContact O-CB 3.13Å; L559-Q562 PolarHBondContact O-N 3.36Å; L559-Q562 VanDerWaalsContact O-N 3.14Å
560S90.9Very high89Confident0 Ų048.4 Ų48.40%028%0.283CS..Hα-helixtrans-67.1-23.2178.6-61.20000112.8L556 H557 N558L556-S560 VanDerWaalsContact O-CB 3.27Å; L556-S560 WeakPolarHBondContact O-CB 3.16Å; L556-S560 PolarHBondContact O-N 2.95Å; L556-S560 PolarHBondContact O-OG 3.43Å; H557-S560 PolarHBondContact O-N 3.28Å; N558-S560 VanDerWaalsContact C-N 3.33Å; N558-S560 PolarHBondContact O-N 2.78Å
561N88.6Confident89.2Confident12 Ų1245.7 Ų45.76%0.06426%0.262CS..THydrogen-bonded Turntrans-92.2-6.5176.4-67.6-37000113.5S4 N11 H557 N558 L559S4-N561 PolarHBondContact N-O 3.48Å; N11-N561 WeakPolarHBondContact CB-OD1 3.45Å; N11-N561 PolarHBondContact ND2-OD1 2.79Å; H557-N561 PolarHBondContact CE1-ND2 3.23Å; H557-N561 PolarHBondContact O-N 3.39Å; H557-N561 PolarHBondContact O-ND2 2.03Å; H557-N561 VanDerWaalsContact O-ND2 3.13Å; N558-N561 PolarHBondContact O-N 3.5Å; L559-N561 PolarHBondContact O-N 3.29Å
562Q87.4Confident89.3Confident53 Ų5343 Ų4325%0.24824%0.241CC..BIsolated β-bridgetrans-76.8149.3176.3-72.6173.815.300111.3N558 L559N558-Q562 WeakPolarHBondContact O-CG 3.49Å; N558-Q562 PolarHBondContact O-N 2.94Å; L559-Q562 WeakPolarHBondContact O-CB 3.13Å; L559-Q562 PolarHBondContact O-N 3.36Å; L559-Q562 VanDerWaalsContact O-N 3.14Å
563S80.6Confident89.3Confident75 Ų7542.3 Ų42.352%0.52424%0.237SC..  trans-73.5139.3169.256.30000110.5
564N85.3Confident89Confident34 Ų3445.6 Ų45.618%0.18225%0.251CS..  trans-117.4155.316758.872000110.1A534 Y566 G567 T568A534-N564 HydrophobicContact CB-CB 4.34Å; N564-Y566 PolarHBondContact O-N 3.33Å; N564-Y566 PolarHBondContact OD1-N 3.17Å; N564-G567 PolarHBondContact OD1-N 2.76Å; N564-T568 PolarHBondContact ND2-O 3.43Å; N564-T568 PolarHBondContact OD1-N 2.97Å
565S84.1Confident88.4Confident106 Ų10639.4 Ų39.474%0.74122%0.224SC*.THydrogen-bonded Turntrans-71.2-10.1179.551.60000114
566Y86.9Confident87.2Confident72 Ų7239.8 Ų39.828%0.28223%0.229SC..THydrogen-bonded Turntrans-99.1-0.9-172.1-56.9-64.5000113.9A534 K535 G539 N564 T568A534-Y566 HydrophobicContact CB-CD2 3.75Å; A534-Y566 HydrophobicContact CB-CG 4.46Å; K535-Y566 HydrophobicContact CB-CD2 4.22Å; K535-Y566 HydrophobicContact CB-CE1 4.23Å; K535-Y566 HydrophobicContact CB-CE2 3.83Å; K535-Y566 HydrophobicContact CG-CE1 4.04Å; K535-Y566 HydrophobicContact CG-CE2 4.44Å; G539-Y566 PolarHBondContact N-O 3.25Å; N564-Y566 PolarHBondContact O-N 3.33Å; N564-Y566 PolarHBondContact OD1-N 3.17Å; Y566-T568 PolarHBondContact O-N 3.23Å
567G84.7Confident85.7Confident57 Ų5743.4 Ų43.459%0.58824%0.244SC*.  trans68.312-178.900000114.4N564N564-G567 PolarHBondContact OD1-N 2.76Å
568T89.7Confident83.1Confident4 Ų448.2 Ų48.23%0.02528%0.284CS..  trans-74137.3178.3-53.70000109.8A534 N537 K540 V542 N564 Y566 F570A534-T568 WeakPolarHBondContact CA-OG1 3.13Å; A534-T568 HydrophobicContact CB-CG2 4.44Å; A534-T568 PolarHBondContact O-OG1 3.3Å; N537-T568 WeakPolarHBondContact O-CG2 3.01Å; N537-T568 PolarHBondContact O-OG1 2.73Å; K540-T568 WeakPolarHBondContact O-CA 3.37Å; K540-T568 WeakPolarHBondContact O-CG2 3.13Å; V542-T568 HydrophobicContact CG2-CG2 3.76Å; N564-T568 PolarHBondContact ND2-O 3.43Å; N564-T568 PolarHBondContact OD1-N 2.97Å; Y566-T568 PolarHBondContact O-N 3.23Å; T568-F570 HydrophobicContact CG2-CE1 4.42Å; T568-F570 HydrophobicContact CG2-CE2 4.16Å; T568-F570 HydrophobicContact CG2-CZ 4.02Å
569K89.9Confident82.7Confident50 Ų5045.8 Ų45.822%0.21727%0.272CS..EExtended strand (participates in β ladder)trans-106.7124.4179.7-171.1-171.4-179.6-157.90110.5K540 T541 V542 E571K540-K569 PolarHBondContact O-N 3.08Å; T541-K569 CarbonylContact C-O 3.58Å; T541-K569 WeakPolarHBondContact CA-O 3.27Å; T541-K569 HydrophobicContact CG2-CB 4.38Å; T541-K569 HydrophobicContact CG2-CD 4.31Å; V542-K569 PolarHBondContact N-O 3.43Å; K569-E571 WeakPolarHBondContact CE-OE1 3.46Å; K569-E571 IonicContact NZ-OE1 3.71Å; K569-E571 PolarHBondContact NZ-OE1 3.42Å
570F92.7Very high82.2Confident5 Ų547.2 Ų47.22%0.02228%0.281CS..EExtended strand (participates in β ladder)trans-101.2119.2176.3-66.5-77.9000110.8N11 F530 I533 A534 V542 V544 T568N11-F570 PolarHBondContact ND2-O 3.49Å; N11-F570 VanDerWaalsContact ND2-O 3.12Å; F530-F570 HydrophobicContact CD1-CD1 4.09Å; F530-F570 HydrophobicContact CD1-CD2 4Å; F530-F570 HydrophobicContact CD1-CE1 4.03Å; F530-F570 AromaticContact CD1-CE2 3.94Å; F530-F570 HydrophobicContact CD1-CE2 3.94Å; F530-F570 HydrophobicContact CD1-CG 4.08Å; F530-F570 AromaticContact CD1-CZ 3.95Å; F530-F570 HydrophobicContact CD1-CZ 3.95Å; F530-F570 HydrophobicContact CE1-CB 4.36Å; F530-F570 AromaticContact CE1-CD1 3.89Å; F530-F570 HydrophobicContact CE1-CD1 3.89Å; F530-F570 HydrophobicContact CE1-CD2 4.3Å; F530-F570 HydrophobicContact CE1-CE1 4.22Å; F530-F570 AromaticContact CE1-CG 3.93Å; F530-F570 HydrophobicContact CE1-CG 3.93Å; I533-F570 HydrophobicContact CG2-CE1 3.95Å; I533-F570 HydrophobicContact CG2-CZ 4.27Å; A534-F570 HydrophobicContact CB-CE2 4.07Å; A534-F570 HydrophobicContact CB-CZ 3.99Å; V542-F570 HydrophobicContact CB-CD1 3.72Å; V542-F570 HydrophobicContact CB-CE1 3.85Å; V542-F570 HydrophobicContact CG1-CD1 3.99Å; V542-F570 HydrophobicContact CG1-CE1 4Å; V542-F570 HydrophobicContact CG2-CD1 4.38Å; V542-F570 HydrophobicContact CG2-CE1 4.07Å; V542-F570 WeakPolarHBondContact O-CA 3.42Å; V544-F570 HydrophobicContact CG2-CB 4.06Å; V544-F570 HydrophobicContact CG2-CD1 3.73Å; V544-F570 HydrophobicContact CG2-CG 4.35Å; T568-F570 HydrophobicContact CG2-CE1 4.42Å; T568-F570 HydrophobicContact CG2-CE2 4.16Å; T568-F570 HydrophobicContact CG2-CZ 4.02Å
571E91.3Very high81.7Confident20 Ų2049.8 Ų49.89%0.09330%0.296CS..EExtended strand (participates in β ladder)trans-103.5108.9177.3-67.2-167.3171.400110.3N11 R96 Y423 T541 V542 V544 K569 N573N11-E571 WeakPolarHBondContact OD1-CA 3.47Å; R96-E571 IonicContact NH1-OE2 2.75Å; Y423-E571 HydrophobicContact CE1-CB 4.36Å; Y423-E571 PolarHBondContact OH-OE2 3.34Å; T541-E571 HydrophobicContact CG2-CG 3.81Å; V542-E571 PolarHBondContact O-N 3.3Å; V544-E571 PolarHBondContact N-O 3.01Å; K569-E571 WeakPolarHBondContact CE-OE1 3.46Å; K569-E571 IonicContact NZ-OE1 3.71Å; K569-E571 PolarHBondContact NZ-OE1 3.42Å; E571-N573 PolarHBondContact O-ND2 2.82Å
572Y91Very high81.3Confident19 Ų1952 Ų528%0.07531%0.31CS..EExtended strand (participates in β ladder)trans-86.2130.4-173-176.4-99.2000112.8N11 R96 V544 C546 S553 L556 H557 K574N11-Y572 PolarHBondContact OD1-N 2.87Å; R96-Y572 PolarHBondContact NH2-O 3.48Å; V544-Y572 HydrophobicContact CB-CD2 4.28Å; V544-Y572 HydrophobicContact CG1-CD2 3.92Å; V544-Y572 HydrophobicContact CG1-CE2 4.39Å; C546-Y572 HydrophobicContact CB-CE2 3.77Å; C546-Y572 WeakPolarHBondContact CB-OH 3.28Å; S553-Y572 VanDerWaalsContact CA-OH 3.3Å; S553-Y572 WeakPolarHBondContact CA-OH 3.4Å; S553-Y572 WeakPolarHBondContact CB-OH 3.29Å; S553-Y572 PolarHBondContact O-OH 2.91Å; S553-Y572 PolarHBondContact OG-OH 3.18Å; L556-Y572 HydrophobicContact CB-CD2 4.22Å; L556-Y572 HydrophobicContact CB-CE2 3.67Å; H557-Y572 HydrophobicContact CB-CD1 3.95Å; H557-Y572 HydrophobicContact CB-CD2 4.5Å; H557-Y572 HydrophobicContact CB-CE1 3.83Å; H557-Y572 HydrophobicContact CB-CE2 4.45Å; H557-Y572 HydrophobicContact CB-CG 4.26Å; H557-Y572 AromaticContact CD2-CD1 3.51Å; Y572-K574 HydrophobicContact CE1-CB 3.78Å
573N89.6Confident81Confident11 Ų1151.9 Ų51.96%0.05931%0.314CS..EExtended strand (participates in β ladder)trans-131.7129.9177.9-59.3-66000109.1R96 P416 V544 F545 C546 E571R96-N573 PolarHBondContact NE-OD1 3.38Å; R96-N573 VanDerWaalsContact NE-OD1 3.15Å; P416-N573 HydrophobicContact CB-CB 4.05Å; V544-N573 PolarHBondContact O-N 2.84Å; F545-N573 WeakPolarHBondContact CA-O 3.37Å; F545-N573 HydrophobicContact CD1-CB 3.73Å; F545-N573 HydrophobicContact CE1-CB 3.9Å; C546-N573 PolarHBondContact N-O 3.35Å; E571-N573 PolarHBondContact O-ND2 2.82Å
574K85.8Confident81Confident78 Ų7850.4 Ų50.434%0.33930%0.3SS..EExtended strand (participates in β ladder)trans-119.8138.1-179.3-177.4-167.9178.5-177.50109.7C546 S553 Y572C546-K574 WeakPolarHBondContact O-CA 3.37Å; S553-K574 VanDerWaalsContact OG-CD 3.32Å; S553-K574 WeakPolarHBondContact OG-CD 3.29Å; S553-K574 WeakPolarHBondContact OG-CE 3.36Å; Y572-K574 HydrophobicContact CE1-CB 3.78Å
575E77.7Confident80.7Confident11 Ų1151.6 Ų51.65%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-123.1138.6162.6-174.7166.8-140.200108.7S415 F417 P437 C546 F577S415-E575 WeakPolarHBondContact CB-OE1 3.46Å; S415-E575 PolarHBondContact OG-OE1 3.18Å; F417-E575 HydrophobicContact CD2-CB 3.65Å; F417-E575 HydrophobicContact CD2-CG 4.49Å; F417-E575 VanDerWaalsContact CD2-OE2 3.29Å; F417-E575 WeakPolarHBondContact CD2-OE2 3.17Å; F417-E575 HydrophobicContact CE2-CB 3.16Å; F417-E575 HydrophobicContact CE2-CG 4.36Å; F417-E575 WeakPolarHBondContact CG-OE2 3.29Å; F417-E575 HydrophobicContact CZ-CB 3.77Å; P437-E575 WeakPolarHBondContact CG-OE2 3.4Å; C546-E575 PolarHBondContact O-N 3.27Å; C546-E575 VanDerWaalsContact O-N 3.11Å; E575-F577 HydrophobicContact CG-CD2 4.37Å; E575-F577 HydrophobicContact CG-CE2 3.62Å; E575-F577 HydrophobicContact CG-CZ 3.92Å; E575-F577 WeakPolarHBondContact OE1-CE2 3.34Å; E575-F577 WeakPolarHBondContact OE1-CZ 3.49Å
576S67.6Low80.4Confident65 Ų6547.4 Ų47.446%0.45528%0.275SS..  trans-154.1115.4172.759.30000108.8
577F60.8Low79.9Confident75 Ų7545.3 Ų45.333%0.32928%0.275SS..  trans-84110.5162.3-55.2-75.5000105.5Y338 P353 T355 E575Y338-F577 AromaticContact CD1-CE1 3.87Å; Y338-F577 HydrophobicContact CD1-CE1 3.87Å; Y338-F577 AromaticContact CD1-CZ 3.75Å; Y338-F577 HydrophobicContact CD1-CZ 3.75Å; Y338-F577 AromaticContact CD2-CE1 3.73Å; Y338-F577 HydrophobicContact CD2-CE1 3.73Å; Y338-F577 HydrophobicContact CD2-CZ 4.21Å; Y338-F577 HydrophobicContact CE1-CE1 4.24Å; Y338-F577 HydrophobicContact CE1-CZ 4.45Å; Y338-F577 HydrophobicContact CE2-CE1 4.1Å; Y338-F577 AromaticContact CG-CE1 3.6Å; Y338-F577 HydrophobicContact CG-CE1 3.6Å; Y338-F577 AromaticContact CG-CZ 3.61Å; Y338-F577 HydrophobicContact CG-CZ 3.61Å; P353-F577 HydrophobicContact CB-CD1 3.73Å; P353-F577 HydrophobicContact CB-CE1 4.13Å; P353-F577 HydrophobicContact CG-CB 4.43Å; P353-F577 HydrophobicContact CG-CD1 3.86Å; T355-F577 WeakPolarHBondContact OG1-CE2 3.25Å; E575-F577 HydrophobicContact CG-CD2 4.37Å; E575-F577 HydrophobicContact CG-CE2 3.62Å; E575-F577 HydrophobicContact CG-CZ 3.92Å; E575-F577 WeakPolarHBondContact OE1-CE2 3.34Å; E575-F577 WeakPolarHBondContact OE1-CZ 3.49Å
578S37.8Very low79.4Confident149 Ų14944.3 Ų44.3100%1.04225%0.246SC*.  trans-92.90-176.958.50000110.6

Retrieved 578 of 578 residues in 180 ms (Link to these results)

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