A0A077Z5A0_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z5A0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 524 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
1K54.8Low89.3Confident113 Ų11362.7 Ų62.749%0.49133%0.328SS..  0133.40-107.9-167178.3-152.80108.5N340 A341 T342K1-N340 HydrophobicContact CD-CB 3.5Å; K1-N340 VanDerWaalsContact CD-CB 3.5Å; K1-N340 VanDerWaalsContact CE-OD1 3.3Å; K1-N340 WeakPolarHBondContact CE-OD1 3.3Å; K1-N340 HydrophobicContact CG-CB 4.5Å; K1-N340 PolarHBondContact NZ-OD1 2.68Å; K1-A341 WeakPolarHBondContact CE-O 3.45Å; K1-T342 VanDerWaalsContact CG-OG1 3.27Å; K1-T342 WeakPolarHBondContact CG-OG1 3.31Å
2I80Confident89.6Confident66 Ų6665.7 Ų65.734%0.33834%0.339SS..  trans-100.2117.1174.8-46.4173.2000106.6P4 I7I2-P4 WeakPolarHBondContact O-CD 3.27Å; I2-I7 HydrophobicContact CB-CD1 4.18Å; I2-I7 HydrophobicContact CG2-CD1 3.22Å; I2-I7 HydrophobicContact CG2-CG1 3.69Å
3D89.3Confident89.9Confident79 Ų7968.5 Ų68.542%0.42234%0.343SS..  trans-67.9118.1173.7-174.1-7.8000108.3E5 G6 K75D3-E5 PolarHBondContact O-N 3.22Å; D3-E5 PolarHBondContact OD1-N 2.98Å; D3-E5 VanDerWaalsContact OD1-N 3.07Å; D3-G6 PolarHBondContact O-N 3.4Å; D3-K75 VanDerWaalsContact CG-NZ 3.35Å; D3-K75 WeakPolarHBondContact OD1-CD 3.45Å; D3-K75 IonicContact OD1-NZ 3.27Å; D3-K75 PolarHBondContact OD1-NZ 3.44Å; D3-K75 IonicContact OD2-NZ 3.89Å; D3-K75 PolarHBondContact OD2-NZ 2.83Å
4P93.4Very high90Very high1 Ų168.6 Ų68.61%0.00634%0.344CS..Hα-helixtrans-59.2-30.517922.7-32.4000112.6I2 G6 I7 F8 Y73 K75 W80I2-P4 WeakPolarHBondContact O-CD 3.27Å; P4-G6 PolarHBondContact O-N 3.25Å; P4-I7 CarbonylContact O-C 3.44Å; P4-I7 PolarHBondContact O-N 3.4Å; P4-F8 HydrophobicContact CB-CD2 4.48Å; P4-F8 PolarHBondContact O-N 3.01Å; P4-Y73 HydrophobicContact CB-CG 4.09Å; P4-K75 HydrophobicContact CG-CB 3.87Å; P4-K75 HydrophobicContact CG-CD 4.21Å; P4-W80 HydrophobicContact CB-CD2 3.9Å; P4-W80 HydrophobicContact CB-CE3 3.68Å; P4-W80 HydrophobicContact CB-CG 4.31Å; P4-W80 HydrophobicContact CB-CZ3 4.13Å; P4-W80 HydrophobicContact CG-CD2 3.93Å; P4-W80 HydrophobicContact CG-CE3 4.2Å; P4-W80 HydrophobicContact CG-CG 4.17Å
5E93.4Very high89.6Confident97 Ų9765.7 Ų65.745%0.45334%0.339SS..Hα-helixtrans-69.9-20.8177.4-75175.3-166.100112.9D3 I7 K75 W80D3-E5 PolarHBondContact O-N 3.22Å; D3-E5 PolarHBondContact OD1-N 2.98Å; D3-E5 VanDerWaalsContact OD1-N 3.07Å; E5-I7 VanDerWaalsContact C-N 3.33Å; E5-K75 HydrophobicContact CG-CD 4.38Å; E5-K75 IonicContact OE1-NZ 2.87Å; E5-K75 PolarHBondContact OE1-NZ 3.1Å; E5-K75 IonicContact OE2-NZ 2.91Å; E5-K75 PolarHBondContact OE2-NZ 3.45Å; E5-W80 HydrophobicContact CG-CH2 3.77Å; E5-W80 HydrophobicContact CG-CZ2 4.09Å
6G92.5Very high89.1Confident60 Ų6070.9 Ų70.962%0.61935%0.352SS*.Hα-helixtrans-75-22.7170.100000113.3D3 P4D3-G6 PolarHBondContact O-N 3.4Å; P4-G6 PolarHBondContact O-N 3.25Å
7I95.4Very high88Confident15 Ų1567.8 Ų67.88%0.07734%0.343CS..Hα-helixtrans-100.7-36.3179.7-54.4167.6000111.9I2 P4 E5 N28 R29 Y73I2-I7 HydrophobicContact CB-CD1 4.18Å; I2-I7 HydrophobicContact CG2-CD1 3.22Å; I2-I7 HydrophobicContact CG2-CG1 3.69Å; P4-I7 CarbonylContact O-C 3.44Å; P4-I7 PolarHBondContact O-N 3.4Å; E5-I7 VanDerWaalsContact C-N 3.33Å; I7-N28 WeakPolarHBondContact O-CB 3.31Å; I7-N28 VanDerWaalsContact O-CG 3.26Å; I7-N28 PolarHBondContact O-N 3Å; I7-N28 PolarHBondContact O-ND2 3.41Å; I7-R29 HydrophobicContact CG2-CG 4.2Å; I7-R29 VanDerWaalsContact CG2-NE 3.32Å; I7-Y73 HydrophobicContact CD1-CD1 4.12Å; I7-Y73 HydrophobicContact CD1-CE1 3.39Å
8F97.3Very high86.8Confident4 Ų469.1 Ų69.12%0.01836%0.359CS..EExtended strand (participates in β ladder)trans-124.2133.7-171.1-58.6-81000110.7P4 I26 D27 V34 I36 Y73 W80 I82P4-F8 HydrophobicContact CB-CD2 4.48Å; P4-F8 PolarHBondContact O-N 3.01Å; F8-I26 CarbonylContact C-O 3.6Å; F8-I26 WeakPolarHBondContact CA-O 3.39Å; F8-D27 HydrophobicContact CD1-CB 3.89Å; F8-D27 HydrophobicContact CE1-CB 3.67Å; F8-V34 HydrophobicContact CD1-CG2 3.94Å; F8-V34 HydrophobicContact CE1-CG2 4.29Å; F8-I36 HydrophobicContact CB-CD1 4.04Å; F8-Y73 HydrophobicContact CE2-CD2 4.07Å; F8-Y73 AromaticContact CE2-CE2 3.53Å; F8-Y73 HydrophobicContact CE2-CE2 3.53Å; F8-Y73 AromaticContact CE2-CZ 3.84Å; F8-Y73 HydrophobicContact CZ-CE2 4.08Å; F8-W80 HydrophobicContact CB-CZ3 4.43Å; F8-I82 HydrophobicContact CD1-CG2 4.33Å; F8-I82 HydrophobicContact CD2-CD1 4.02Å; F8-I82 HydrophobicContact CD2-CG1 4.33Å; F8-I82 HydrophobicContact CE1-CG1 4.4Å; F8-I82 HydrophobicContact CE1-CG2 3.67Å; F8-I82 HydrophobicContact CE2-CD1 4.01Å; F8-I82 HydrophobicContact CE2-CG1 3.8Å; F8-I82 HydrophobicContact CG-CD1 4.34Å; F8-I82 HydrophobicContact CZ-CB 4.33Å; F8-I82 HydrophobicContact CZ-CD1 4.3Å; F8-I82 HydrophobicContact CZ-CG1 3.84Å; F8-I82 HydrophobicContact CZ-CG2 3.81Å
9T96.9Very high86.1Confident69 Ų6966.5 Ų66.542%0.42335%0.345SS..EExtended strand (participates in β ladder)trans-92.3109168.4-59.30000108.8G25 I26 N28T9-G25 CarbonylContact O-C 3.59Å; T9-G25 WeakPolarHBondContact O-CA 3.1Å; T9-I26 PolarHBondContact N-O 3.46Å; T9-I26 PolarHBondContact O-N 3.07Å; T9-N28 PolarHBondContact N-OD1 3.15Å; T9-N28 PolarHBondContact OG1-ND2 3.5Å; T9-N28 PolarHBondContact OG1-OD1 3.1Å
10R94.3Very high85.9Confident116 Ų11664 Ų6444%0.43834%0.335SS..EExtended strand (participates in β ladder)trans-72133.5174-172.7177.966167.2-2.9110.2F23 W80R10-F23 HydrophobicContact CG-CB 3.7Å; R10-F23 HydrophobicContact CG-CD1 4Å; R10-F23 HydrophobicContact CG-CD2 4.48Å; R10-F23 HydrophobicContact CG-CG 3.81Å; R10-W80 HydrophobicContact CB-CH2 4.02Å; R10-W80 HydrophobicContact CB-CZ3 4.42Å
11Q95.2Very high86.1Confident70 Ų7064.8 Ų64.833%0.32734%0.338SS..EExtended strand (participates in β ladder)trans-114.7-148.4-179.7-54.2-172.7-37.300110.4K24Q11-K24 WeakPolarHBondContact CA-O 3.47Å; Q11-K24 HydrophobicContact CB-CB 4.33Å; Q11-K24 WeakPolarHBondContact CB-O 3.44Å; Q11-K24 PolarHBondContact N-O 3.35Å; Q11-K24 VanDerWaalsContact OE1-CD 3.29Å
12E93.4Very high88Confident98 Ų9860.5 Ų60.546%0.45832%0.321SS..EExtended strand (participates in β ladder)trans-59.3149.9-179.567.6-84-166.600113.6I14 F23 K24E12-I14 HydrophobicContact CG-CG2 4.16Å; E12-F23 WeakPolarHBondContact O-CA 3.28Å; E12-K24 PolarHBondContact O-N 2.62Å; E12-K24 WeakPolarHBondContact OE1-CD 3.45Å; E12-K24 IonicContact OE1-NZ 2.71Å; E12-K24 PolarHBondContact OE1-NZ 3.23Å
13R93.5Very high88.7Confident102 Ų10258.2 Ų58.239%0.38531%0.308SS..EExtended strand (participates in β ladder)trans-69.4128.8168-170.1-178.671115.43.6108.4E21 F23 D288R13-E21 WeakPolarHBondContact CD-OE1 3.48Å; R13-F23 HydrophobicContact CB-CD1 3.93Å; R13-F23 HydrophobicContact CB-CE1 3.79Å; R13-F23 HydrophobicContact CG-CD1 4.43Å; R13-F23 HydrophobicContact CG-CE1 4.15Å; R13-F23 HydrophobicContact CG-CZ 4.48Å; R13-D288 IonicContact CZ-OD2 2.68Å; R13-D288 VanDerWaalsContact CZ-OD2 3.29Å; R13-D288 IonicContact NH1-OD2 2.67Å; R13-D288 PolarHBondContact NH1-OD2 2.88Å; R13-D288 IonicContact NH2-OD2 3.39Å; R13-D288 PolarHBondContact NH2-OD2 2.66Å
14I90.8Very high89.1Confident71 Ų7156.6 Ų56.636%0.36430%0.298SS..EExtended strand (participates in β ladder)trans-112.2-11.6-178.259.7175000113.4E12 V22 K24 Y85E12-I14 HydrophobicContact CG-CG2 4.16Å; I14-V22 HydrophobicContact CD1-CG1 3.94Å; I14-V22 HydrophobicContact CG1-CB 4.2Å; I14-V22 HydrophobicContact CG1-CG1 3.85Å; I14-V22 WeakPolarHBondContact CG1-O 3.42Å; I14-V22 PolarHBondContact N-O 3.36Å; I14-K24 HydrophobicContact CD1-CB 4.48Å; I14-K24 HydrophobicContact CG2-CB 3.82Å; I14-Y85 HydrophobicContact CD1-CD2 4.04Å; I14-Y85 HydrophobicContact CD1-CE2 3.79Å
15G84.7Confident89.3Confident25 Ų2556.6 Ų56.626%0.25830%0.297SS..EExtended strand (participates in β ladder)trans179.8179.2174.700000112.6V22G15-V22 PolarHBondContact N-O 3.37Å; G15-V22 PolarHBondContact O-N 3.21Å
16R81Confident89.5Confident148 Ų14853.7 Ų53.756%0.55829%0.285SS*.EExtended strand (participates in β ladder)trans-129.1125.6171.9-170.7-177.5-175.6-144.33.8107.7D291R16-D291 IonicContact NH1-OD2 2.64Å; R16-D291 PolarHBondContact NH1-OD2 3.01Å
17G71.2Confident89.7Confident19 Ų1951.3 Ų51.320%0.19626%0.258CS..EExtended strand (participates in β ladder)trans-95.4-176.8171.500000111.2F19 G20G17-F19 VanDerWaalsContact C-N 3.28Å; G17-F19 PolarHBondContact O-N 3.49Å; G17-G20 PolarHBondContact N-O 3.48Å
18S65.6Low89.8Confident90 Ų9054 Ų5463%0.62927%0.272SS*.THydrogen-bonded Turntrans-57.1-39.1178.650.90000113.6
19F72.9Confident89.7Confident21 Ų2161 Ų619%0.09230%0.299CS..THydrogen-bonded Turntrans-103.4-4.7-171.3-54.9-62.5000113.9G17 I39 E47 D50 I51 E54 V149G17-F19 VanDerWaalsContact C-N 3.28Å; G17-F19 PolarHBondContact O-N 3.49Å; F19-I39 HydrophobicContact CB-CD1 3.67Å; F19-I39 HydrophobicContact CB-CG1 3.82Å; F19-I39 HydrophobicContact CB-CG2 4.15Å; F19-I39 HydrophobicContact CG-CD1 4.46Å; F19-I39 WeakPolarHBondContact O-CG2 3.45Å; F19-E47 HydrophobicContact CD1-CB 4.19Å; F19-E47 VanDerWaalsContact CD1-OE2 3.23Å; F19-E47 WeakPolarHBondContact CD1-OE2 3.4Å; F19-E47 HydrophobicContact CE1-CB 3.93Å; F19-E47 HydrophobicContact CE1-CG 4.2Å; F19-D50 HydrophobicContact CZ-CB 4.27Å; F19-I51 HydrophobicContact CB-CD1 4.43Å; F19-I51 HydrophobicContact CB-CG1 4.37Å; F19-I51 HydrophobicContact CD1-CD1 4.21Å; F19-I51 HydrophobicContact CD1-CG1 3.98Å; F19-I51 HydrophobicContact CD2-CG1 4.11Å; F19-I51 HydrophobicContact CE1-CG1 4.3Å; F19-I51 HydrophobicContact CE2-CG1 4.43Å; F19-I51 HydrophobicContact CG-CD1 4.31Å; F19-I51 HydrophobicContact CG-CG1 3.89Å; F19-E54 VanDerWaalsContact CE2-OE2 3.28Å; F19-E54 WeakPolarHBondContact CE2-OE2 3.48Å; F19-V149 HydrophobicContact CE2-CG2 4.28Å; F19-V149 HydrophobicContact CZ-CG2 4.31Å
20G82.7Confident89.7Confident15 Ų1561.8 Ų61.816%0.15530%0.303CS..EExtended strand (participates in β ladder)trans165.3-168.2-173.400000115.2G17 V38G17-G20 PolarHBondContact N-O 3.48Å; G20-V38 WeakPolarHBondContact CA-O 3.2Å
21E91Very high89.7Confident82 Ų8260.8 Ų60.838%0.38331%0.314SS..EExtended strand (participates in β ladder)trans-96.3144.4-174.7-62.8-176.3110.900111.4R13 F23 K37 V38R13-E21 WeakPolarHBondContact CD-OE1 3.48Å; E21-F23 HydrophobicContact CB-CD2 4.34Å; E21-F23 HydrophobicContact CB-CE2 3.51Å; E21-F23 HydrophobicContact CB-CZ 3.85Å; E21-K37 CarbonylContact O-C 3.46Å; E21-K37 WeakPolarHBondContact O-CA 3.4Å; E21-V38 PolarHBondContact N-O 3.25Å; E21-V38 VanDerWaalsContact N-O 3.12Å; E21-V38 PolarHBondContact O-N 3.33Å
22V93.6Very high89.7Confident22 Ų2261.7 Ų61.713%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-109.5127.1175.9-170.10000109I14 G15 A35 I36 K37I14-V22 HydrophobicContact CD1-CG1 3.94Å; I14-V22 HydrophobicContact CG1-CB 4.2Å; I14-V22 HydrophobicContact CG1-CG1 3.85Å; I14-V22 WeakPolarHBondContact CG1-O 3.42Å; I14-V22 PolarHBondContact N-O 3.36Å; G15-V22 PolarHBondContact N-O 3.37Å; G15-V22 PolarHBondContact O-N 3.21Å; V22-A35 HydrophobicContact CG1-CB 4.34Å; V22-I36 WeakPolarHBondContact CA-O 3.2Å; V22-K37 HydrophobicContact CG2-CB 4.24Å; V22-K37 HydrophobicContact CG2-CG 4.19Å
23F95.8Very high89.9Confident18 Ų1859.3 Ų59.38%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-115.3149.4178.2-60.4-94.2000110.4R10 E12 R13 E21 A35 I36 V38R10-F23 HydrophobicContact CG-CB 3.7Å; R10-F23 HydrophobicContact CG-CD1 4Å; R10-F23 HydrophobicContact CG-CD2 4.48Å; R10-F23 HydrophobicContact CG-CG 3.81Å; E12-F23 WeakPolarHBondContact O-CA 3.28Å; R13-F23 HydrophobicContact CB-CD1 3.93Å; R13-F23 HydrophobicContact CB-CE1 3.79Å; R13-F23 HydrophobicContact CG-CD1 4.43Å; R13-F23 HydrophobicContact CG-CE1 4.15Å; R13-F23 HydrophobicContact CG-CZ 4.48Å; E21-F23 HydrophobicContact CB-CD2 4.34Å; E21-F23 HydrophobicContact CB-CE2 3.51Å; E21-F23 HydrophobicContact CB-CZ 3.85Å; F23-A35 CarbonylContact O-C 3.58Å; F23-A35 WeakPolarHBondContact O-CA 3.39Å; F23-I36 HydrophobicContact CB-CB 4.45Å; F23-I36 PolarHBondContact N-O 2.75Å; F23-I36 PolarHBondContact O-N 2.77Å; F23-V38 HydrophobicContact CD2-CB 4.47Å; F23-V38 HydrophobicContact CD2-CG2 3.87Å; F23-V38 HydrophobicContact CE2-CB 4.23Å; F23-V38 HydrophobicContact CE2-CG2 4.03Å
24K96.6Very high90.1Very high46 Ų4654.5 Ų54.520%0.229%0.292CS..EExtended strand (participates in β ladder)trans-73147.2160-172.6-176.1177.5-171.90108.8Q11 E12 I14 T33 Y85Q11-K24 WeakPolarHBondContact CA-O 3.47Å; Q11-K24 HydrophobicContact CB-CB 4.33Å; Q11-K24 WeakPolarHBondContact CB-O 3.44Å; Q11-K24 PolarHBondContact N-O 3.35Å; Q11-K24 VanDerWaalsContact OE1-CD 3.29Å; E12-K24 PolarHBondContact O-N 2.62Å; E12-K24 WeakPolarHBondContact OE1-CD 3.45Å; E12-K24 IonicContact OE1-NZ 2.71Å; E12-K24 PolarHBondContact OE1-NZ 3.23Å; I14-K24 HydrophobicContact CD1-CB 4.48Å; I14-K24 HydrophobicContact CG2-CB 3.82Å; K24-T33 HydrophobicContact CD-CG2 4.33Å; K24-T33 HydrophobicContact CG-CG2 3.81Å; K24-Y85 HydrophobicContact CB-CE2 4.37Å; K24-Y85 HydrophobicContact CD-CE2 4.32Å; K24-Y85 HydrophobicContact CG-CD2 4.3Å; K24-Y85 HydrophobicContact CG-CE2 4.01Å
25G97.4Very high90.4Very high0 Ų051.5 Ų51.50%028%0.278CS..EExtended strand (participates in β ladder)trans-149170.3174.600000112.7T9 T33 V34T9-G25 CarbonylContact O-C 3.59Å; T9-G25 WeakPolarHBondContact O-CA 3.1Å; G25-T33 CarbonylContact O-C 3.38Å; G25-T33 WeakPolarHBondContact O-CA 3.25Å; G25-V34 PolarHBondContact N-O 2.99Å; G25-V34 PolarHBondContact O-N 2.91Å
26I98Very high90.9Very high36 Ų3650.3 Ų50.319%0.18527%0.266CS..EExtended strand (participates in β ladder)trans-120.2128.7173.6-56.7-62.6000108.2F8 T9 N28 Q32 T33F8-I26 CarbonylContact C-O 3.6Å; F8-I26 WeakPolarHBondContact CA-O 3.39Å; T9-I26 PolarHBondContact N-O 3.46Å; T9-I26 PolarHBondContact O-N 3.07Å; I26-N28 PolarHBondContact O-N 3.35Å; I26-N28 PolarHBondContact O-OD1 3.04Å; I26-Q32 WeakPolarHBondContact CA-O 3.44Å; I26-T33 HydrophobicContact CD1-CG2 4.31Å
27D97.5Very high91.5Very high10 Ų1043.3 Ų43.35%0.05324%0.24CC..EExtended strand (participates in β ladder)trans-72.5110.4165.1-172.7-30.2000108.7F8 R29 T30 S31 Q32 V34F8-D27 HydrophobicContact CD1-CB 3.89Å; F8-D27 HydrophobicContact CE1-CB 3.67Å; D27-R29 PolarHBondContact O-N 3.37Å; D27-R29 VanDerWaalsContact O-N 3.1Å; D27-R29 VanDerWaalsContact OD1-CB 3.28Å; D27-R29 WeakPolarHBondContact OD1-CB 3.45Å; D27-R29 WeakPolarHBondContact OD1-CG 3.47Å; D27-R29 IonicContact OD1-CZ 3.48Å; D27-R29 PolarHBondContact OD1-N 3.42Å; D27-R29 IonicContact OD1-NE 3.45Å; D27-R29 PolarHBondContact OD1-NE 2.95Å; D27-R29 IonicContact OD1-NH2 2.69Å; D27-R29 IonicContact OD2-CZ 3.04Å; D27-R29 IonicContact OD2-NE 3.67Å; D27-R29 PolarHBondContact OD2-NE 3.19Å; D27-R29 IonicContact OD2-NH2 3.72Å; D27-R29 PolarHBondContact OD2-NH2 3.33Å; D27-T30 WeakPolarHBondContact CB-OG1 3.32Å; D27-T30 PolarHBondContact O-N 3.16Å; D27-S31 WeakPolarHBondContact O-CA 3.3Å; D27-S31 PolarHBondContact O-N 3.25Å; D27-Q32 PolarHBondContact N-O 3.45Å; D27-V34 HydrophobicContact CB-CG1 4.44Å
28N96.3Very high92.5Very high71 Ų7142.9 Ų42.938%0.3823%0.233SC..THydrogen-bonded Turntrans-65.5-15.7-174.6-60.7-26.3000112.6I7 T9 I26I7-N28 WeakPolarHBondContact O-CB 3.31Å; I7-N28 VanDerWaalsContact O-CG 3.26Å; I7-N28 PolarHBondContact O-N 3Å; I7-N28 PolarHBondContact O-ND2 3.41Å; T9-N28 PolarHBondContact N-OD1 3.15Å; T9-N28 PolarHBondContact OG1-ND2 3.5Å; T9-N28 PolarHBondContact OG1-OD1 3.1Å; I26-N28 PolarHBondContact O-N 3.35Å; I26-N28 PolarHBondContact O-OD1 3.04Å
29R95.7Very high93.8Very high153 Ų15338.6 Ų38.658%0.57720%0.203SC*.THydrogen-bonded Turntrans-83.9-37179.8-53.1168.2-64.3173.21.7111.9I7 D27I7-R29 HydrophobicContact CG2-CG 4.2Å; I7-R29 VanDerWaalsContact CG2-NE 3.32Å; D27-R29 PolarHBondContact O-N 3.37Å; D27-R29 VanDerWaalsContact O-N 3.1Å; D27-R29 VanDerWaalsContact OD1-CB 3.28Å; D27-R29 WeakPolarHBondContact OD1-CB 3.45Å; D27-R29 WeakPolarHBondContact OD1-CG 3.47Å; D27-R29 IonicContact OD1-CZ 3.48Å; D27-R29 PolarHBondContact OD1-N 3.42Å; D27-R29 IonicContact OD1-NE 3.45Å; D27-R29 PolarHBondContact OD1-NE 2.95Å; D27-R29 IonicContact OD1-NH2 2.69Å; D27-R29 IonicContact OD2-CZ 3.04Å; D27-R29 IonicContact OD2-NE 3.67Å; D27-R29 PolarHBondContact OD2-NE 3.19Å; D27-R29 IonicContact OD2-NH2 3.72Å; D27-R29 PolarHBondContact OD2-NH2 3.33Å
30T95.6Very high94.7Very high84 Ų8438.8 Ų38.852%0.51521%0.205SC..THydrogen-bonded Turntrans-112.4-9.3-17461.50000113.1D27 Q32D27-T30 WeakPolarHBondContact CB-OG1 3.32Å; D27-T30 PolarHBondContact O-N 3.16Å; T30-Q32 PolarHBondContact O-N 2.69Å; T30-Q32 VanDerWaalsContact OG1-CB 3.26Å; T30-Q32 WeakPolarHBondContact OG1-CB 3.47Å; T30-Q32 PolarHBondContact OG1-N 3.49Å
31S95.2Very high95Very high96 Ų9640.2 Ų40.267%0.67121%0.209SC*.THydrogen-bonded Turntrans56.518-167.9-58.60000114.2D27D27-S31 WeakPolarHBondContact O-CA 3.3Å; D27-S31 PolarHBondContact O-N 3.25Å
32Q96.2Very high94.9Very high88 Ų8843.6 Ų43.641%0.41123%0.225SC..EExtended strand (participates in β ladder)trans-77.7136.8178.5-172.3-17914.100110.7I26 D27 T30 Y70I26-Q32 WeakPolarHBondContact CA-O 3.44Å; D27-Q32 PolarHBondContact N-O 3.45Å; T30-Q32 PolarHBondContact O-N 2.69Å; T30-Q32 VanDerWaalsContact OG1-CB 3.26Å; T30-Q32 WeakPolarHBondContact OG1-CB 3.47Å; T30-Q32 PolarHBondContact OG1-N 3.49Å; Q32-Y70 PolarHBondContact NE2-OH 3.16Å
33T97.4Very high94.6Very high49 Ų4950.8 Ų50.830%0.30126%0.257SS..EExtended strand (participates in β ladder)trans-73132.8170-49.90000111K24 G25 I26 Y85K24-T33 HydrophobicContact CD-CG2 4.33Å; K24-T33 HydrophobicContact CG-CG2 3.81Å; G25-T33 CarbonylContact O-C 3.38Å; G25-T33 WeakPolarHBondContact O-CA 3.25Å; I26-T33 HydrophobicContact CD1-CG2 4.31Å; T33-Y85 HydrophobicContact CG2-CD1 3.54Å; T33-Y85 HydrophobicContact CG2-CD2 4.37Å; T33-Y85 HydrophobicContact CG2-CE1 4.07Å; T33-Y85 HydrophobicContact CG2-CG 3.71Å
34V97.4Very high93.9Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-131.3157.7-178-62.80000110.7F8 G25 D27 I36 Y70 I82F8-V34 HydrophobicContact CD1-CG2 3.94Å; F8-V34 HydrophobicContact CE1-CG2 4.29Å; G25-V34 PolarHBondContact N-O 2.99Å; G25-V34 PolarHBondContact O-N 2.91Å; D27-V34 HydrophobicContact CB-CG1 4.44Å; V34-I36 HydrophobicContact CG2-CD1 4.35Å; V34-I36 HydrophobicContact CG2-CG1 4.04Å; V34-Y70 HydrophobicContact CG1-CD2 3.97Å; V34-Y70 HydrophobicContact CG1-CE2 3.95Å; V34-I82 HydrophobicContact CB-CG2 3.96Å; V34-I82 HydrophobicContact CG1-CG2 4.16Å; V34-I82 HydrophobicContact CG2-CG2 4.03Å
35A96.4Very high93.2Very high8 Ų854.5 Ų54.57%0.06628%0.276CS..EExtended strand (participates in β ladder)trans-95.8138.1165.900000109V22 F23 M83V22-A35 HydrophobicContact CG1-CB 4.34Å; F23-A35 CarbonylContact O-C 3.58Å; F23-A35 WeakPolarHBondContact O-CA 3.39Å; A35-M83 PolarHBondContact N-O 3.41Å; A35-M83 PolarHBondContact O-N 2.96Å
36I95.3Very high92.4Very high0 Ų057 Ų570%029%0.29CS..EExtended strand (participates in β ladder)trans-123.4102-177.4-53.8-178.3000107.9F8 V22 F23 V34 V38 W80 I82F8-I36 HydrophobicContact CB-CD1 4.04Å; V22-I36 WeakPolarHBondContact CA-O 3.2Å; F23-I36 HydrophobicContact CB-CB 4.45Å; F23-I36 PolarHBondContact N-O 2.75Å; F23-I36 PolarHBondContact O-N 2.77Å; V34-I36 HydrophobicContact CG2-CD1 4.35Å; V34-I36 HydrophobicContact CG2-CG1 4.04Å; I36-V38 HydrophobicContact CG2-CG2 3.8Å; I36-W80 HydrophobicContact CD1-CE3 4.14Å; I36-W80 HydrophobicContact CD1-CZ3 3.85Å; I36-W80 HydrophobicContact CG2-CB 4.36Å; I36-W80 HydrophobicContact CG2-CD2 3.81Å; I36-W80 HydrophobicContact CG2-CE3 3.34Å; I36-W80 HydrophobicContact CG2-CG 4.27Å; I36-W80 HydrophobicContact CG2-CZ3 3.91Å; I36-I82 HydrophobicContact CB-CD1 4.41Å; I36-I82 HydrophobicContact CD1-CD1 4.4Å; I36-I82 HydrophobicContact CG1-CD1 3.97Å; I36-I82 HydrophobicContact CG2-CD1 3.98Å
37K93.2Very high91.5Very high1 Ų158 Ų580%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-85.7117.3172.4-177.8174.1-177.4177.60108E21 V22 I39 E54 W80 I81 M83 D146E21-K37 CarbonylContact O-C 3.46Å; E21-K37 WeakPolarHBondContact O-CA 3.4Å; V22-K37 HydrophobicContact CG2-CB 4.24Å; V22-K37 HydrophobicContact CG2-CG 4.19Å; K37-I39 HydrophobicContact CG-CG1 4.38Å; K37-E54 IonicContact NZ-OE1 2.82Å; K37-E54 PolarHBondContact NZ-OE1 3.29Å; K37-E54 IonicContact NZ-OE2 2.84Å; K37-W80 CarbonylContact O-C 3.6Å; K37-W80 WeakPolarHBondContact O-CA 3.31Å; K37-I81 HydrophobicContact CB-CB 4.25Å; K37-I81 PolarHBondContact N-O 3.34Å; K37-I81 PolarHBondContact O-N 3.48Å; K37-M83 HydrophobicContact CB-CE 3.82Å; K37-M83 HydrophobicContact CD-CE 4.23Å; K37-D146 IonicContact NZ-OD1 2.64Å; K37-D146 PolarHBondContact NZ-OD1 3.04Å
38V93.6Very high90.9Very high11 Ų1160.2 Ų60.27%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-109.1117.3-177.8-175.50000108.6G20 E21 F23 I36 K78 L79 W80G20-V38 WeakPolarHBondContact CA-O 3.2Å; E21-V38 PolarHBondContact N-O 3.25Å; E21-V38 VanDerWaalsContact N-O 3.12Å; E21-V38 PolarHBondContact O-N 3.33Å; F23-V38 HydrophobicContact CD2-CB 4.47Å; F23-V38 HydrophobicContact CD2-CG2 3.87Å; F23-V38 HydrophobicContact CE2-CB 4.23Å; F23-V38 HydrophobicContact CE2-CG2 4.03Å; I36-V38 HydrophobicContact CG2-CG2 3.8Å; V38-K78 HydrophobicContact CG1-CB 3.99Å; V38-K78 HydrophobicContact CG1-CD 3.97Å; V38-K78 HydrophobicContact CG1-CG 4.39Å; V38-L79 WeakPolarHBondContact CA-O 3.38Å; V38-W80 HydrophobicContact CG2-CD2 4.25Å; V38-W80 HydrophobicContact CG2-CG 4.26Å
39I91.6Very high90.3Very high0 Ų063.9 Ų63.90%032%0.32CS..EExtended strand (participates in β ladder)trans-112.9132.7-179.1-61.1172.5000108.2F19 K37 L41 A44 I51 K78 L79 I81F19-I39 HydrophobicContact CB-CD1 3.67Å; F19-I39 HydrophobicContact CB-CG1 3.82Å; F19-I39 HydrophobicContact CB-CG2 4.15Å; F19-I39 HydrophobicContact CG-CD1 4.46Å; F19-I39 WeakPolarHBondContact O-CG2 3.45Å; K37-I39 HydrophobicContact CG-CG1 4.38Å; I39-L41 HydrophobicContact CG2-CD2 4.29Å; I39-A44 HydrophobicContact CG2-CB 4.11Å; I39-I51 HydrophobicContact CD1-CD1 4.36Å; I39-I51 HydrophobicContact CD1-CG1 4.21Å; I39-I51 HydrophobicContact CD1-CG2 3.91Å; I39-I51 HydrophobicContact CG2-CD1 3.78Å; I39-K78 CarbonylContact O-C 3.51Å; I39-K78 VanDerWaalsContact O-CA 3.3Å; I39-K78 WeakPolarHBondContact O-CA 3.46Å; I39-L79 HydrophobicContact CB-CB 4.44Å; I39-L79 PolarHBondContact N-O 2.91Å; I39-L79 PolarHBondContact O-N 3.33Å; I39-I81 HydrophobicContact CD1-CD1 3.77Å
40D91.7Very high89.5Confident25 Ų2558 Ų5813%0.13430%0.3CS..EExtended strand (participates in β ladder)trans-87111.7170.8-153-42000110E42 E43 A44 S77 K78D40-E42 PolarHBondContact O-N 3.11Å; D40-E42 PolarHBondContact OD1-N 2.78Å; D40-E43 HydrophobicContact CB-CB 4.19Å; D40-E43 HydrophobicContact CB-CG 4.06Å; D40-E43 PolarHBondContact O-N 3.03Å; D40-A44 WeakPolarHBondContact O-CB 3.34Å; D40-A44 PolarHBondContact O-N 2.83Å; D40-S77 WeakPolarHBondContact OD1-CB 3.36Å; D40-S77 PolarHBondContact OD1-OG 2.68Å; D40-K78 IonicContact OD2-NZ 3.24Å; D40-K78 PolarHBondContact OD2-NZ 3.31Å
41L89.8Confident89Confident45 Ų4554.1 Ų54.124%0.23628%0.275CS..THydrogen-bonded Turntrans-72.2-18.6-176-61.7179000112.8I39 L74 S77 L79I39-L41 HydrophobicContact CG2-CD2 4.29Å; L41-L74 HydrophobicContact CD1-CD1 3.7Å; L41-S77 VanDerWaalsContact CB-O 3.25Å; L41-S77 WeakPolarHBondContact CB-O 3.5Å; L41-S77 WeakPolarHBondContact CG-O 3.49Å; L41-S77 PolarHBondContact N-O 3.13Å; L41-L79 HydrophobicContact CD1-CB 4.15Å; L41-L79 HydrophobicContact CD2-CB 3.98Å; L41-L79 HydrophobicContact CD2-CD2 4.18Å; L41-L79 HydrophobicContact CG-CB 4.03Å
42E89.2Confident88.5Confident153 Ų15355.6 Ų55.672%0.71527%0.272SS*.THydrogen-bonded Turntrans-73.8-37.9173.1-73.5176.7-17400111.2D40D40-E42 PolarHBondContact O-N 3.11Å; D40-E42 PolarHBondContact OD1-N 2.78Å
43E85.8Confident87.8Confident172 Ų17254.8 Ų54.880%0.80427%0.268SS*.THydrogen-bonded Turntrans-75.9-30.2176.3-61.6-176.6170.500111.9D40D40-E43 HydrophobicContact CB-CB 4.19Å; D40-E43 HydrophobicContact CB-CG 4.06Å; D40-E43 PolarHBondContact O-N 3.03Å
44A82.4Confident87.1Confident4 Ų452.8 Ų52.83%0.03326%0.255CS..THydrogen-bonded Turntrans-97.824.5-175.700000114.2I39 D40 D46 E47 I48 I51I39-A44 HydrophobicContact CG2-CB 4.11Å; D40-A44 WeakPolarHBondContact O-CB 3.34Å; D40-A44 PolarHBondContact O-N 2.83Å; A44-D46 VanDerWaalsContact C-N 3.28Å; A44-D46 PolarHBondContact O-N 3.07Å; A44-D46 VanDerWaalsContact O-N 3.17Å; A44-E47 HydrophobicContact CB-CB 4.33Å; A44-E47 CarbonylContact O-C 3.52Å; A44-E47 WeakPolarHBondContact O-CA 3.32Å; A44-E47 PolarHBondContact O-N 3.21Å; A44-I48 WeakPolarHBondContact O-CG1 3.26Å; A44-I48 PolarHBondContact O-N 3.38Å; A44-I51 HydrophobicContact CB-CD1 3.78Å
45E81.8Confident86.6Confident139 Ų13954.1 Ų54.165%0.6526%0.262SS*.G310 helixtrans-52.7-42-172.7-169.8-172.6176.500113.2E47E45-E47 VanDerWaalsContact C-N 3.27Å; E45-E47 PolarHBondContact O-N 2.87Å
46D79.3Confident86.1Confident53 Ų5357.4 Ų57.428%0.28328%0.277SS..G310 helixtrans-78.2-9.2179.9-68.3-48.5000113.5A44 K159 R438 R441A44-D46 VanDerWaalsContact C-N 3.28Å; A44-D46 PolarHBondContact O-N 3.07Å; A44-D46 VanDerWaalsContact O-N 3.17Å; D46-K159 WeakPolarHBondContact O-CE 3.07Å; D46-K159 PolarHBondContact O-NZ 3.39Å; D46-R438 IonicContact OD1-NH2 2.67Å; D46-R438 PolarHBondContact OD1-NH2 2.97Å; D46-R441 IonicContact OD2-CZ 3.43Å; D46-R441 IonicContact OD2-NH1 2.67Å; D46-R441 PolarHBondContact OD2-NH1 2.67Å; D46-R441 IonicContact OD2-NH2 2.74Å; D46-R441 PolarHBondContact OD2-NH2 3.46Å
47E80.6Confident85.6Confident56 Ų5658.5 Ų58.526%0.26228%0.284SS..G310 helixtrans-111.9-1.2-173.3-65.3168.7177.100112.7F19 A44 E45 E49 D50 I51F19-E47 HydrophobicContact CD1-CB 4.19Å; F19-E47 VanDerWaalsContact CD1-OE2 3.23Å; F19-E47 WeakPolarHBondContact CD1-OE2 3.4Å; F19-E47 HydrophobicContact CE1-CB 3.93Å; F19-E47 HydrophobicContact CE1-CG 4.2Å; A44-E47 HydrophobicContact CB-CB 4.33Å; A44-E47 CarbonylContact O-C 3.52Å; A44-E47 WeakPolarHBondContact O-CA 3.32Å; A44-E47 PolarHBondContact O-N 3.21Å; E45-E47 VanDerWaalsContact C-N 3.27Å; E45-E47 PolarHBondContact O-N 2.87Å; E47-E49 VanDerWaalsContact C-N 3.26Å; E47-E49 PolarHBondContact O-N 2.93Å; E47-D50 WeakPolarHBondContact O-CA 3.45Å; E47-D50 WeakPolarHBondContact O-CB 3.32Å; E47-D50 PolarHBondContact O-N 2.97Å; E47-I51 HydrophobicContact CB-CD1 4.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.25Å; E47-I51 PolarHBondContact O-N 3.46Å
48I84.6Confident85.3Confident57 Ų5758.8 Ų58.829%0.29229%0.285SS..Hα-helixtrans-53.8-42-178.6-66.3176.9000112.1A44 D50 I51 Q52A44-I48 WeakPolarHBondContact O-CG1 3.26Å; A44-I48 PolarHBondContact O-N 3.38Å; I48-D50 VanDerWaalsContact C-N 3.33Å; I48-D50 PolarHBondContact O-N 3.48Å; I48-I51 PolarHBondContact O-N 2.82Å; I48-Q52 HydrophobicContact CG2-CG 4.35Å; I48-Q52 WeakPolarHBondContact O-CB 3.16Å; I48-Q52 VanDerWaalsContact O-CG 3.31Å; I48-Q52 WeakPolarHBondContact O-CG 3.35Å; I48-Q52 PolarHBondContact O-N 3.41Å
49E83.1Confident85.1Confident148 Ų14860 Ų6069%0.69230%0.295SS*.Hα-helixtrans-62.6-40.4178.3-68.3178.5176.700111.7E47 Q52 Q53E47-E49 VanDerWaalsContact C-N 3.26Å; E47-E49 PolarHBondContact O-N 2.93Å; E49-Q52 PolarHBondContact O-N 3.36Å; E49-Q53 WeakPolarHBondContact O-CB 3.37Å; E49-Q53 PolarHBondContact O-N 2.93Å
50D79.6Confident85Confident29 Ų2965.1 Ų65.116%0.15532%0.318CS..Hα-helixtrans-65.8-49177.4-59.1-40.6000109.4F19 E47 I48 Q52 Q53 E54 V149 K159F19-D50 HydrophobicContact CZ-CB 4.27Å; E47-D50 WeakPolarHBondContact O-CA 3.45Å; E47-D50 WeakPolarHBondContact O-CB 3.32Å; E47-D50 PolarHBondContact O-N 2.97Å; I48-D50 VanDerWaalsContact C-N 3.33Å; I48-D50 PolarHBondContact O-N 3.48Å; D50-Q52 VanDerWaalsContact C-N 3.32Å; D50-Q52 PolarHBondContact O-N 3.24Å; D50-Q53 WeakPolarHBondContact O-CB 3.28Å; D50-Q53 PolarHBondContact O-N 3.48Å; D50-Q53 VanDerWaalsContact O-N 3.13Å; D50-E54 PolarHBondContact O-N 3.36Å; D50-V149 HydrophobicContact CB-CB 4.18Å; D50-V149 HydrophobicContact CB-CG2 3.88Å; D50-V149 VanDerWaalsContact O-CG2 3.28Å; D50-V149 WeakPolarHBondContact O-CG2 3.17Å; D50-K159 IonicContact OD1-NZ 3.48Å; D50-K159 IonicContact OD2-NZ 3.48Å; D50-K159 PolarHBondContact OD2-NZ 3.1Å
51I84.2Confident84.9Confident2 Ų264.7 Ų64.71%0.0132%0.317CS..Hα-helixtrans-57.6-43.3178-65.3158.7000111.6F19 I39 A44 E47 I48 E54 I55 L79F19-I51 HydrophobicContact CB-CD1 4.43Å; F19-I51 HydrophobicContact CB-CG1 4.37Å; F19-I51 HydrophobicContact CD1-CD1 4.21Å; F19-I51 HydrophobicContact CD1-CG1 3.98Å; F19-I51 HydrophobicContact CD2-CG1 4.11Å; F19-I51 HydrophobicContact CE1-CG1 4.3Å; F19-I51 HydrophobicContact CE2-CG1 4.43Å; F19-I51 HydrophobicContact CG-CD1 4.31Å; F19-I51 HydrophobicContact CG-CG1 3.89Å; I39-I51 HydrophobicContact CD1-CD1 4.36Å; I39-I51 HydrophobicContact CD1-CG1 4.21Å; I39-I51 HydrophobicContact CD1-CG2 3.91Å; I39-I51 HydrophobicContact CG2-CD1 3.78Å; A44-I51 HydrophobicContact CB-CD1 3.78Å; E47-I51 HydrophobicContact CB-CD1 4.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.25Å; E47-I51 PolarHBondContact O-N 3.46Å; I48-I51 PolarHBondContact O-N 2.82Å; I51-E54 PolarHBondContact O-N 3.31Å; I51-I55 HydrophobicContact CG2-CD1 4.05Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 3.33Å; I51-I55 VanDerWaalsContact O-N 3.09Å; I51-L79 HydrophobicContact CG2-CD2 3.84Å
52Q85.9Confident85Confident128 Ų12868.8 Ų68.860%0.59834%0.339SS*.Hα-helixtrans-63.3-43.4177.3-77.1-179.8-3.900111.9I48 E49 D50 E54 I55 M56I48-Q52 HydrophobicContact CG2-CG 4.35Å; I48-Q52 WeakPolarHBondContact O-CB 3.16Å; I48-Q52 VanDerWaalsContact O-CG 3.31Å; I48-Q52 WeakPolarHBondContact O-CG 3.35Å; I48-Q52 PolarHBondContact O-N 3.41Å; E49-Q52 PolarHBondContact O-N 3.36Å; D50-Q52 VanDerWaalsContact C-N 3.32Å; D50-Q52 PolarHBondContact O-N 3.24Å; Q52-E54 VanDerWaalsContact C-N 3.28Å; Q52-E54 PolarHBondContact O-N 3.48Å; Q52-I55 PolarHBondContact O-N 2.89Å; Q52-M56 WeakPolarHBondContact O-CB 3.22Å; Q52-M56 PolarHBondContact O-N 3.47Å
53Q81.7Confident85.3Confident71 Ų7161.8 Ų61.833%0.33231%0.307SS..Hα-helixtrans-63.1-36.5176.9-172.771.911.900111.1E49 D50 M56 V57 V149E49-Q53 WeakPolarHBondContact O-CB 3.37Å; E49-Q53 PolarHBondContact O-N 2.93Å; D50-Q53 WeakPolarHBondContact O-CB 3.28Å; D50-Q53 PolarHBondContact O-N 3.48Å; D50-Q53 VanDerWaalsContact O-N 3.13Å; Q53-M56 VanDerWaalsContact CD-CE 3.42Å; Q53-M56 VanDerWaalsContact NE2-CE 3.33Å; Q53-M56 PolarHBondContact O-N 2.97Å; Q53-V57 WeakPolarHBondContact O-CG2 3.47Å; Q53-V57 PolarHBondContact O-N 2.78Å; Q53-V149 HydrophobicContact CB-CB 4.46Å; Q53-V149 HydrophobicContact CB-CG1 3.64Å; Q53-V149 HydrophobicContact CG-CG1 3.59Å
54E82.7Confident85.8Confident7 Ų757.5 Ų57.53%0.03329%0.294CS..Hα-helixtrans-65.6-49.8-179.8-172.1-175.5154.700109.7F19 K37 D50 I51 Q52 M56 V57 L58 F147 V149F19-E54 VanDerWaalsContact CE2-OE2 3.28Å; F19-E54 WeakPolarHBondContact CE2-OE2 3.48Å; K37-E54 IonicContact NZ-OE1 2.82Å; K37-E54 PolarHBondContact NZ-OE1 3.29Å; K37-E54 IonicContact NZ-OE2 2.84Å; D50-E54 PolarHBondContact O-N 3.36Å; I51-E54 PolarHBondContact O-N 3.31Å; Q52-E54 VanDerWaalsContact C-N 3.28Å; Q52-E54 PolarHBondContact O-N 3.48Å; E54-M56 VanDerWaalsContact C-N 3.3Å; E54-M56 PolarHBondContact O-N 3.25Å; E54-V57 PolarHBondContact O-N 2.77Å; E54-L58 VanDerWaalsContact O-CB 3.28Å; E54-L58 WeakPolarHBondContact O-CB 3.34Å; E54-L58 PolarHBondContact O-N 3.49Å; E54-F147 HydrophobicContact CG-CB 4.31Å; E54-V149 HydrophobicContact CB-CG1 3.93Å; E54-V149 HydrophobicContact CB-CG2 3.82Å; E54-V149 HydrophobicContact CG-CG2 4.43Å; E54-V149 VanDerWaalsContact N-CG1 3.33Å
55I86.4Confident86.5Confident28 Ų2860.3 Ų60.314%0.14430%0.304CS..Hα-helixtrans-61-41.9177-66.3167.9000110.4I51 Q52 L58 S59 Y69 L79 I81I51-I55 HydrophobicContact CG2-CD1 4.05Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 3.33Å; I51-I55 VanDerWaalsContact O-N 3.09Å; Q52-I55 PolarHBondContact O-N 2.89Å; I55-L58 PolarHBondContact O-N 3.28Å; I55-S59 WeakPolarHBondContact O-CB 3.39Å; I55-S59 PolarHBondContact O-N 2.9Å; I55-S59 PolarHBondContact O-OG 3.28Å; I55-Y69 HydrophobicContact CG2-CE2 4.14Å; I55-L79 HydrophobicContact CD1-CD2 3.77Å; I55-I81 HydrophobicContact CD1-CD1 3.76Å; I55-I81 HydrophobicContact CD1-CG1 4.05Å; I55-I81 HydrophobicContact CG1-CD1 3.8Å; I55-I81 HydrophobicContact CG1-CG1 4.32Å
56M86.4Confident87.2Confident77 Ų7753.8 Ų53.838%0.37927%0.274SS..Hα-helixtrans-61.3-49.8178.7-177.1-179.467.100111.3Q52 Q53 E54 S59 Q60Q52-M56 WeakPolarHBondContact O-CB 3.22Å; Q52-M56 PolarHBondContact O-N 3.47Å; Q53-M56 VanDerWaalsContact CD-CE 3.42Å; Q53-M56 VanDerWaalsContact NE2-CE 3.33Å; Q53-M56 PolarHBondContact O-N 2.97Å; E54-M56 VanDerWaalsContact C-N 3.3Å; E54-M56 PolarHBondContact O-N 3.25Å; M56-S59 PolarHBondContact O-N 3.46Å; M56-S59 PolarHBondContact O-OG 2.64Å; M56-Q60 WeakPolarHBondContact O-CG 3.39Å; M56-Q60 PolarHBondContact O-N 3.12Å
57V84.5Confident87.9Confident23 Ų2351.5 Ų51.514%0.13926%0.262CS..Hα-helixtrans-61.1-49.2178.6171.70000110.6Q53 E54 S59 Q60 C61 K124 F147Q53-V57 WeakPolarHBondContact O-CG2 3.47Å; Q53-V57 PolarHBondContact O-N 2.78Å; E54-V57 PolarHBondContact O-N 2.77Å; V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 PolarHBondContact O-N 3.32Å; V57-Q60 PolarHBondContact O-N 3.25Å; V57-Q60 VanDerWaalsContact O-N 3.15Å; V57-C61 PolarHBondContact O-N 2.99Å; V57-C61 PolarHBondContact O-SG 2.88Å; V57-K124 HydrophobicContact CG1-CD 4.25Å; V57-K124 HydrophobicContact CG1-CG 4.49Å; V57-F147 HydrophobicContact CG1-CD1 3.81Å; V57-F147 HydrophobicContact CG1-CE1 4.15Å; V57-F147 HydrophobicContact CG1-CG 4.08Å
58L86.6Confident88.6Confident6 Ų653.1 Ų53.13%0.03127%0.268CS..Hα-helixtrans-63.2-39-178.1-170.671.7000111.9E54 I55 Q60 C61 V66 T67 Y69 M83 F147E54-L58 VanDerWaalsContact O-CB 3.28Å; E54-L58 WeakPolarHBondContact O-CB 3.34Å; E54-L58 PolarHBondContact O-N 3.49Å; I55-L58 PolarHBondContact O-N 3.28Å; L58-Q60 PolarHBondContact O-N 3.48Å; L58-C61 WeakPolarHBondContact O-CB 3.48Å; L58-C61 PolarHBondContact O-N 3.3Å; L58-C61 VanDerWaalsContact O-N 3.12Å; L58-V66 HydrophobicContact CD1-CG1 4.24Å; L58-T67 WeakPolarHBondContact CD1-O 3.4Å; L58-Y69 HydrophobicContact CD2-CD2 4.03Å; L58-Y69 HydrophobicContact CD2-CG 4.3Å; L58-Y69 HydrophobicContact CG-CG 4.48Å; L58-M83 HydrophobicContact CD2-CG 4.29Å; L58-M83 HydrophobicContact CD2-SD 3.81Å; L58-F147 HydrophobicContact CB-CD2 4.39Å; L58-F147 HydrophobicContact CD1-CD2 3.72Å; L58-F147 HydrophobicContact CD1-CE2 3.37Å
59S89.3Confident89Confident38 Ų3853.1 Ų53.127%0.26627%0.265SS..Hα-helixtrans-66.4-19.6177.873.50000114.2I55 M56 V57I55-S59 WeakPolarHBondContact O-CB 3.39Å; I55-S59 PolarHBondContact O-N 2.9Å; I55-S59 PolarHBondContact O-OG 3.28Å; M56-S59 PolarHBondContact O-N 3.46Å; M56-S59 PolarHBondContact O-OG 2.64Å; V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 PolarHBondContact O-N 3.32Å
60Q88.8Confident89.5Confident106 Ų10650.1 Ų50.150%0.49525%0.248SC..THydrogen-bonded Turntrans-971.5177.1-65.6172.29.200112.7M56 V57 L58 K124M56-Q60 WeakPolarHBondContact O-CG 3.39Å; M56-Q60 PolarHBondContact O-N 3.12Å; V57-Q60 PolarHBondContact O-N 3.25Å; V57-Q60 VanDerWaalsContact O-N 3.15Å; L58-Q60 PolarHBondContact O-N 3.48Å; Q60-K124 PolarHBondContact O-NZ 2.94Å; Q60-K124 VanDerWaalsContact O-NZ 3.15Å
61C90Very high90.1Very high16 Ų1649.3 Ų49.311%0.10825%0.247CC..  trans-94.3121.9177.8-72.40000110.1V57 L58 V66 Y118V57-C61 PolarHBondContact O-N 2.99Å; V57-C61 PolarHBondContact O-SG 2.88Å; L58-C61 WeakPolarHBondContact O-CB 3.48Å; L58-C61 PolarHBondContact O-N 3.3Å; L58-C61 VanDerWaalsContact O-N 3.12Å; C61-V66 HydrophobicContact CB-CB 4.43Å; C61-V66 HydrophobicContact CB-CG1 3.82Å; C61-Y118 WeakPolarHBondContact CA-OH 3.35Å; C61-Y118 HydrophobicContact CB-CE1 4.27Å
62D92.3Very high90.6Very high132 Ų13250.4 Ų50.471%0.70626%0.255SS*.  trans-129.187.1169.9-173.721.9000108.6Y118D62-Y118 PolarHBondContact N-OH 3.12Å
63S94.9Very high91Very high6 Ų645.2 Ų45.24%0.04223%0.23CC..  trans-148.5141.2-177.4174.60000110.4Y65 V66 Y118S63-Y65 PolarHBondContact O-N 3.15Å; S63-Y65 VanDerWaalsContact O-N 3.15Å; S63-Y65 PolarHBondContact OG-N 3.15Å; S63-V66 PolarHBondContact O-N 3.26Å; S63-V66 VanDerWaalsContact O-O 3.11Å; S63-Y118 VanDerWaalsContact CB-CD1 3.45Å; S63-Y118 VanDerWaalsContact CB-CE1 3.46Å
64P97.1Very high91.6Very high81 Ų8144.1 Ų44.153%0.52623%0.226SC..THydrogen-bonded Turntrans-65.7-12.3174.228.4-35.1000113.2K143P64-K143 WeakPolarHBondContact O-CD 3.41Å; P64-K143 WeakPolarHBondContact O-CE 3.49Å; P64-K143 WeakPolarHBondContact O-CG 3.28Å
65Y97.3Very high91.9Very high63 Ų6346.8 Ų46.825%0.24724%0.237CC..THydrogen-bonded Turntrans-101.64.7-177.9-49.3-61.4000113.5S63 K114 G115 K143 L144S63-Y65 PolarHBondContact O-N 3.15Å; S63-Y65 VanDerWaalsContact O-N 3.15Å; S63-Y65 PolarHBondContact OG-N 3.15Å; Y65-K114 HydrophobicContact CD1-CB 4.02Å; Y65-K114 HydrophobicContact CD1-CD 4.28Å; Y65-K114 HydrophobicContact CD2-CB 3.62Å; Y65-K114 HydrophobicContact CE1-CB 4.08Å; Y65-K114 HydrophobicContact CE1-CD 3.57Å; Y65-K114 HydrophobicContact CE2-CB 3.66Å; Y65-K114 HydrophobicContact CE2-CD 3.91Å; Y65-K114 HydrophobicContact CE2-CG 4.36Å; Y65-K114 HydrophobicContact CG-CB 3.82Å; Y65-K114 WeakPolarHBondContact OH-CD 3.43Å; Y65-G115 VanDerWaalsContact CB-CA 3.49Å; Y65-K143 WeakPolarHBondContact O-CA 3.49Å; Y65-L144 PolarHBondContact O-N 2.84Å
66V95.4Very high92.1Very high2 Ų248.2 Ų48.21%0.01226%0.259CS..BIsolated β-bridgetrans-126.7142.3176.6175.50000108.3L58 C61 S63 K68 Y118 L119 F147L58-V66 HydrophobicContact CD1-CG1 4.24Å; C61-V66 HydrophobicContact CB-CB 4.43Å; C61-V66 HydrophobicContact CB-CG1 3.82Å; S63-V66 PolarHBondContact O-N 3.26Å; S63-V66 VanDerWaalsContact O-O 3.11Å; V66-K68 PolarHBondContact O-N 3.25Å; V66-Y118 HydrophobicContact CG2-CD1 4Å; V66-Y118 HydrophobicContact CG2-CE1 4.23Å; V66-L119 HydrophobicContact CG2-CD2 4.19Å; V66-L119 HydrophobicContact CG2-CG 4.37Å; V66-F147 HydrophobicContact CG1-CE2 3.62Å; V66-F147 HydrophobicContact CG1-CZ 3.46Å; V66-F147 VanDerWaalsContact CG1-CZ 3.46Å; V66-F147 HydrophobicContact CG2-CZ 4.29Å
67T94.6Very high92.4Very high6 Ų646.1 Ų46.14%0.03725%0.252CS..PPolyproline II helixtrans-57.7131175.7480000111.4L58 L86 L135 K143 L144 A145L58-T67 WeakPolarHBondContact CD1-O 3.4Å; T67-L86 HydrophobicContact CG2-CD1 3.68Å; T67-L135 HydrophobicContact CG2-CD1 4.26Å; T67-K143 HydrophobicContact CG2-CB 4.45Å; T67-L144 PolarHBondContact N-O 3.35Å; T67-L144 PolarHBondContact OG1-O 3.26Å; T67-A145 HydrophobicContact CG2-CB 3.72Å
68K94.4Very high92.8Very high89 Ų8949.1 Ų49.139%0.38726%0.263SS..PPolyproline II helixtrans-73.7136.7178-62.2-177.6175-173.90111.2V66 Y70 M83 E84V66-K68 PolarHBondContact O-N 3.25Å; K68-Y70 HydrophobicContact CB-CE1 3.97Å; K68-Y70 HydrophobicContact CD-CE1 4.47Å; K68-M83 CarbonylContact O-C 3.53Å; K68-M83 VanDerWaalsContact O-CA 3.27Å; K68-M83 WeakPolarHBondContact O-CA 3.38Å; K68-E84 HydrophobicContact CB-CB 4.06Å; K68-E84 PolarHBondContact N-OE2 3.31Å; K68-E84 PolarHBondContact O-N 2.92Å
69Y93.7Very high93.1Very high58 Ų5850 Ų5023%0.22727%0.268CS..EExtended strand (participates in β ladder)trans-94.7131.6168.6170.9-103.4000111I55 L58 G71 S72 I81I55-Y69 HydrophobicContact CG2-CE2 4.14Å; L58-Y69 HydrophobicContact CD2-CD2 4.03Å; L58-Y69 HydrophobicContact CD2-CG 4.3Å; L58-Y69 HydrophobicContact CG-CG 4.48Å; Y69-G71 VanDerWaalsContact CE2-C 3.45Å; Y69-G71 WeakPolarHBondContact CE2-O 3.46Å; Y69-G71 WeakPolarHBondContact OH-CA 2.98Å; Y69-S72 WeakPolarHBondContact CE2-OG 3.13Å; Y69-S72 WeakPolarHBondContact OH-CB 3.22Å; Y69-S72 PolarHBondContact OH-N 3.44Å; Y69-S72 PolarHBondContact OH-OG 3.41Å; Y69-I81 HydrophobicContact CD2-CG2 4.03Å; Y69-I81 HydrophobicContact CE2-CG2 3.89Å
70Y93.9Very high93.4Very high84 Ų8448.5 Ų48.533%0.32926%0.256SS..EExtended strand (participates in β ladder)trans-106.3-20.7179.9-61.1-41.3000113.5Q32 V34 K68 I82 E84Q32-Y70 PolarHBondContact NE2-OH 3.16Å; V34-Y70 HydrophobicContact CG1-CD2 3.97Å; V34-Y70 HydrophobicContact CG1-CE2 3.95Å; K68-Y70 HydrophobicContact CB-CE1 3.97Å; K68-Y70 HydrophobicContact CD-CE1 4.47Å; Y70-I82 HydrophobicContact CD2-CG2 4.14Å; Y70-I82 PolarHBondContact N-O 3.41Å; Y70-E84 HydrophobicContact CE2-CB 4.42Å
71G92.9Very high93.6Very high13 Ų1343.6 Ų43.613%0.13423%0.233CC..EExtended strand (participates in β ladder)trans147170.5178.700000112.8Y69 I82Y69-G71 VanDerWaalsContact CE2-C 3.45Å; Y69-G71 WeakPolarHBondContact CE2-O 3.46Å; Y69-G71 WeakPolarHBondContact OH-CA 2.98Å; G71-I82 PolarHBondContact N-O 2.81Å; G71-I82 WeakPolarHBondContact O-CB 3.35Å; G71-I82 PolarHBondContact O-N 2.84Å
72S93.4Very high93.8Very high25 Ų2542.9 Ų42.918%0.17523%0.228CC..EExtended strand (participates in β ladder)trans-125.5148.3174.9-550000111.5Y69 W80Y69-S72 WeakPolarHBondContact CE2-OG 3.13Å; Y69-S72 WeakPolarHBondContact OH-CB 3.22Å; Y69-S72 PolarHBondContact OH-N 3.44Å; Y69-S72 PolarHBondContact OH-OG 3.41Å; S72-W80 CarbonylContact C-O 3.42Å; S72-W80 WeakPolarHBondContact CA-O 3.35Å; S72-W80 WeakPolarHBondContact CB-O 3.25Å
73Y94.9Very high93.9Very high19 Ų1937.5 Ų37.58%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-136.2142.3-177.5-60.3-96.6000109.8P4 I7 F8 W80 I82P4-Y73 HydrophobicContact CB-CG 4.09Å; I7-Y73 HydrophobicContact CD1-CD1 4.12Å; I7-Y73 HydrophobicContact CD1-CE1 3.39Å; F8-Y73 HydrophobicContact CE2-CD2 4.07Å; F8-Y73 AromaticContact CE2-CE2 3.53Å; F8-Y73 HydrophobicContact CE2-CE2 3.53Å; F8-Y73 AromaticContact CE2-CZ 3.84Å; F8-Y73 HydrophobicContact CZ-CE2 4.08Å; Y73-W80 PolarHBondContact N-O 3.49Å; Y73-W80 PolarHBondContact O-N 2.86Å; Y73-I82 HydrophobicContact CD2-CD1 4.33Å; Y73-I82 HydrophobicContact CD2-CG1 3.69Å; Y73-I82 HydrophobicContact CE2-CG1 3.67Å
74L93.6Very high93.9Very high48 Ų4839 Ų3925%0.25121%0.205SC..EExtended strand (participates in β ladder)trans-111.4119.6-179.3-177.568.7000110.3L41L41-L74 HydrophobicContact CD1-CD1 3.7Å
75K90.3Very high93.9Very high63 Ų6338.2 Ų38.227%0.27419%0.193SC..EExtended strand (participates in β ladder)trans-125.8108.7176.3-177.6171.1-172.1141.80110D3 P4 E5 S77 K78D3-K75 VanDerWaalsContact CG-NZ 3.35Å; D3-K75 WeakPolarHBondContact OD1-CD 3.45Å; D3-K75 IonicContact OD1-NZ 3.27Å; D3-K75 PolarHBondContact OD1-NZ 3.44Å; D3-K75 IonicContact OD2-NZ 3.89Å; D3-K75 PolarHBondContact OD2-NZ 2.83Å; P4-K75 HydrophobicContact CG-CB 3.87Å; P4-K75 HydrophobicContact CG-CD 4.21Å; E5-K75 HydrophobicContact CG-CD 4.38Å; E5-K75 IonicContact OE1-NZ 2.87Å; E5-K75 PolarHBondContact OE1-NZ 3.1Å; E5-K75 IonicContact OE2-NZ 2.91Å; E5-K75 PolarHBondContact OE2-NZ 3.45Å; K75-S77 PolarHBondContact O-N 2.98Å; K75-K78 PolarHBondContact N-O 2.77Å; K75-K78 WeakPolarHBondContact O-CB 3.22Å; K75-K78 PolarHBondContact O-N 3.4Å
76G90.7Very high93.9Very high58 Ų5836 Ų3660%0.59819%0.185SC*.THydrogen-bonded Turntrans59.1-132.7-169.900000110.7K78G76-K78 VanDerWaalsContact C-N 3.27Å
77S91Very high93.9Very high32 Ų3236.6 Ų36.622%0.22419%0.192CC..THydrogen-bonded Turntrans-76.4-8.9171.165.20000113.8D40 L41 K75D40-S77 WeakPolarHBondContact OD1-CB 3.36Å; D40-S77 PolarHBondContact OD1-OG 2.68Å; L41-S77 VanDerWaalsContact CB-O 3.25Å; L41-S77 WeakPolarHBondContact CB-O 3.5Å; L41-S77 WeakPolarHBondContact CG-O 3.49Å; L41-S77 PolarHBondContact N-O 3.13Å; K75-S77 PolarHBondContact O-N 2.98Å
78K92.9Very high93.9Very high87 Ų8736.4 Ų36.438%0.37819%0.191SC..EExtended strand (participates in β ladder)trans-94123.3-170.8-59.4-170.9-175.3-65.40112.4V38 I39 D40 K75 G76V38-K78 HydrophobicContact CG1-CB 3.99Å; V38-K78 HydrophobicContact CG1-CD 3.97Å; V38-K78 HydrophobicContact CG1-CG 4.39Å; I39-K78 CarbonylContact O-C 3.51Å; I39-K78 VanDerWaalsContact O-CA 3.3Å; I39-K78 WeakPolarHBondContact O-CA 3.46Å; D40-K78 IonicContact OD2-NZ 3.24Å; D40-K78 PolarHBondContact OD2-NZ 3.31Å; K75-K78 PolarHBondContact N-O 2.77Å; K75-K78 WeakPolarHBondContact O-CB 3.22Å; K75-K78 PolarHBondContact O-N 3.4Å; G76-K78 VanDerWaalsContact C-N 3.27Å
79L93.5Very high93.9Very high25 Ų2533 Ų3313%0.13118%0.181CC..EExtended strand (participates in β ladder)trans-90.7120.5170.9-178.863.6000110V38 I39 L41 I51 I55 I81V38-L79 WeakPolarHBondContact CA-O 3.38Å; I39-L79 HydrophobicContact CB-CB 4.44Å; I39-L79 PolarHBondContact N-O 2.91Å; I39-L79 PolarHBondContact O-N 3.33Å; L41-L79 HydrophobicContact CD1-CB 4.15Å; L41-L79 HydrophobicContact CD2-CB 3.98Å; L41-L79 HydrophobicContact CD2-CD2 4.18Å; L41-L79 HydrophobicContact CG-CB 4.03Å; I51-L79 HydrophobicContact CG2-CD2 3.84Å; I55-L79 HydrophobicContact CD1-CD2 3.77Å; L79-I81 HydrophobicContact CD2-CG1 4.43Å; L79-I81 HydrophobicContact CG-CG1 4.26Å
80W94.7Very high94.1Very high5 Ų530.7 Ų30.72%0.01917%0.173CC..EExtended strand (participates in β ladder)trans-97.9123.4173.2-7141.3000108.8P4 E5 F8 R10 I36 K37 V38 S72 Y73 I82P4-W80 HydrophobicContact CB-CD2 3.9Å; P4-W80 HydrophobicContact CB-CE3 3.68Å; P4-W80 HydrophobicContact CB-CG 4.31Å; P4-W80 HydrophobicContact CB-CZ3 4.13Å; P4-W80 HydrophobicContact CG-CD2 3.93Å; P4-W80 HydrophobicContact CG-CE3 4.2Å; P4-W80 HydrophobicContact CG-CG 4.17Å; E5-W80 HydrophobicContact CG-CH2 3.77Å; E5-W80 HydrophobicContact CG-CZ2 4.09Å; F8-W80 HydrophobicContact CB-CZ3 4.43Å; R10-W80 HydrophobicContact CB-CH2 4.02Å; R10-W80 HydrophobicContact CB-CZ3 4.42Å; I36-W80 HydrophobicContact CD1-CE3 4.14Å; I36-W80 HydrophobicContact CD1-CZ3 3.85Å; I36-W80 HydrophobicContact CG2-CB 4.36Å; I36-W80 HydrophobicContact CG2-CD2 3.81Å; I36-W80 HydrophobicContact CG2-CE3 3.34Å; I36-W80 HydrophobicContact CG2-CG 4.27Å; I36-W80 HydrophobicContact CG2-CZ3 3.91Å; K37-W80 CarbonylContact O-C 3.6Å; K37-W80 WeakPolarHBondContact O-CA 3.31Å; V38-W80 HydrophobicContact CG2-CD2 4.25Å; V38-W80 HydrophobicContact CG2-CG 4.26Å; S72-W80 CarbonylContact C-O 3.42Å; S72-W80 WeakPolarHBondContact CA-O 3.35Å; S72-W80 WeakPolarHBondContact CB-O 3.25Å; Y73-W80 PolarHBondContact N-O 3.49Å; Y73-W80 PolarHBondContact O-N 2.86Å; W80-I82 HydrophobicContact CB-CD1 4.31Å; W80-I82 HydrophobicContact CE3-CD1 4.27Å
81I93Very high94.3Very high3 Ų326.7 Ų26.72%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-109.3115.6173.4-54.6174.3000107K37 I39 I55 Y69 L79 M83K37-I81 HydrophobicContact CB-CB 4.25Å; K37-I81 PolarHBondContact N-O 3.34Å; K37-I81 PolarHBondContact O-N 3.48Å; I39-I81 HydrophobicContact CD1-CD1 3.77Å; I55-I81 HydrophobicContact CD1-CD1 3.76Å; I55-I81 HydrophobicContact CD1-CG1 4.05Å; I55-I81 HydrophobicContact CG1-CD1 3.8Å; I55-I81 HydrophobicContact CG1-CG1 4.32Å; Y69-I81 HydrophobicContact CD2-CG2 4.03Å; Y69-I81 HydrophobicContact CE2-CG2 3.89Å; L79-I81 HydrophobicContact CD2-CG1 4.43Å; L79-I81 HydrophobicContact CG-CG1 4.26Å; I81-M83 HydrophobicContact CG2-CG 3.86Å; I81-M83 HydrophobicContact CG2-SD 3.97Å
82I95.4Very high94.4Very high1 Ų128.7 Ų28.71%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-95.9124.4-177.2-45-58.3000109F8 V34 I36 Y70 G71 Y73 W80F8-I82 HydrophobicContact CD1-CG2 4.33Å; F8-I82 HydrophobicContact CD2-CD1 4.02Å; F8-I82 HydrophobicContact CD2-CG1 4.33Å; F8-I82 HydrophobicContact CE1-CG1 4.4Å; F8-I82 HydrophobicContact CE1-CG2 3.67Å; F8-I82 HydrophobicContact CE2-CD1 4.01Å; F8-I82 HydrophobicContact CE2-CG1 3.8Å; F8-I82 HydrophobicContact CG-CD1 4.34Å; F8-I82 HydrophobicContact CZ-CB 4.33Å; F8-I82 HydrophobicContact CZ-CD1 4.3Å; F8-I82 HydrophobicContact CZ-CG1 3.84Å; F8-I82 HydrophobicContact CZ-CG2 3.81Å; V34-I82 HydrophobicContact CB-CG2 3.96Å; V34-I82 HydrophobicContact CG1-CG2 4.16Å; V34-I82 HydrophobicContact CG2-CG2 4.03Å; I36-I82 HydrophobicContact CB-CD1 4.41Å; I36-I82 HydrophobicContact CD1-CD1 4.4Å; I36-I82 HydrophobicContact CG1-CD1 3.97Å; I36-I82 HydrophobicContact CG2-CD1 3.98Å; Y70-I82 HydrophobicContact CD2-CG2 4.14Å; Y70-I82 PolarHBondContact N-O 3.41Å; G71-I82 PolarHBondContact N-O 2.81Å; G71-I82 WeakPolarHBondContact O-CB 3.35Å; G71-I82 PolarHBondContact O-N 2.84Å; Y73-I82 HydrophobicContact CD2-CD1 4.33Å; Y73-I82 HydrophobicContact CD2-CG1 3.69Å; Y73-I82 HydrophobicContact CE2-CG1 3.67Å; W80-I82 HydrophobicContact CB-CD1 4.31Å; W80-I82 HydrophobicContact CE3-CD1 4.27Å
83M94.4Very high94.5Very high19 Ų1929 Ų299%0.09416%0.164CC..EExtended strand (participates in β ladder)trans-137.3167.7-172.9-54.9-178.8-64.500111.4A35 K37 L58 K68 I81 Y85A35-M83 PolarHBondContact N-O 3.41Å; A35-M83 PolarHBondContact O-N 2.96Å; K37-M83 HydrophobicContact CB-CE 3.82Å; K37-M83 HydrophobicContact CD-CE 4.23Å; L58-M83 HydrophobicContact CD2-CG 4.29Å; L58-M83 HydrophobicContact CD2-SD 3.81Å; K68-M83 CarbonylContact O-C 3.53Å; K68-M83 VanDerWaalsContact O-CA 3.27Å; K68-M83 WeakPolarHBondContact O-CA 3.38Å; I81-M83 HydrophobicContact CG2-CG 3.86Å; I81-M83 HydrophobicContact CG2-SD 3.97Å; M83-Y85 PolarHBondContact O-N 3.36Å
84E95.5Very high94.6Very high37 Ų3728.2 Ų28.217%0.17316%0.162CC..EExtended strand (participates in β ladder)trans-57.9132.5170.5-174.2174.2-160.400111.7K68 Y70 L86 K143K68-E84 HydrophobicContact CB-CB 4.06Å; K68-E84 PolarHBondContact N-OE2 3.31Å; K68-E84 PolarHBondContact O-N 2.92Å; Y70-E84 HydrophobicContact CE2-CB 4.42Å; E84-L86 HydrophobicContact CG-CD2 4.48Å; E84-K143 IonicContact OE1-NZ 3.12Å; E84-K143 PolarHBondContact OE1-NZ 3.17Å; E84-K143 IonicContact OE2-NZ 3.25Å; E84-K143 PolarHBondContact OE2-NZ 2.95Å
85Y96.7Very high94.7Very high66 Ų6626.8 Ų26.826%0.25915%0.154SC..  trans-86.6126.7172.2179-106000110.8I14 K24 T33 M83 G87I14-Y85 HydrophobicContact CD1-CD2 4.04Å; I14-Y85 HydrophobicContact CD1-CE2 3.79Å; K24-Y85 HydrophobicContact CB-CE2 4.37Å; K24-Y85 HydrophobicContact CD-CE2 4.32Å; K24-Y85 HydrophobicContact CG-CD2 4.3Å; K24-Y85 HydrophobicContact CG-CE2 4.01Å; T33-Y85 HydrophobicContact CG2-CD1 3.54Å; T33-Y85 HydrophobicContact CG2-CD2 4.37Å; T33-Y85 HydrophobicContact CG2-CE1 4.07Å; T33-Y85 HydrophobicContact CG2-CG 3.71Å; M83-Y85 PolarHBondContact O-N 3.36Å; Y85-G87 VanDerWaalsContact CE1-CA 3.41Å
86L96.6Very high94.9Very high15 Ų1527.8 Ų27.88%0.07916%0.158CC..  trans-115.989.9178.4-71.1172.2000109.4T67 E84 G88 G89 L135 L136 K143T67-L86 HydrophobicContact CG2-CD1 3.68Å; E84-L86 HydrophobicContact CG-CD2 4.48Å; L86-G88 PolarHBondContact O-N 3.32Å; L86-G89 PolarHBondContact O-N 2.82Å; L86-L135 HydrophobicContact CB-CB 3.97Å; L86-L135 HydrophobicContact CD1-CB 3.36Å; L86-L135 HydrophobicContact CD1-CD1 4.12Å; L86-L135 HydrophobicContact CD1-CG 4.38Å; L86-L135 HydrophobicContact CG-CB 4.32Å; L86-L136 CarbonylContact C-O 3.32Å; L86-L136 WeakPolarHBondContact CB-O 3.45Å; L86-K143 HydrophobicContact CD1-CB 3.86Å; L86-K143 HydrophobicContact CD1-CD 4.12Å; L86-K143 HydrophobicContact CD1-CG 4.11Å; L86-K143 HydrophobicContact CD2-CD 4.16Å; L86-K143 HydrophobicContact CD2-CG 4.42Å
87G95.1Very high95.1Very high16 Ų1626.2 Ų26.217%0.16514%0.138CC..THydrogen-bonded Turntrans-73.8-0.2-169.400000116.6Y85 G89Y85-G87 VanDerWaalsContact CE1-CA 3.41Å; G87-G89 VanDerWaalsContact C-N 3.32Å
88G95.6Very high95.2Very high1 Ų125.9 Ų25.91%0.0114%0.139CC..THydrogen-bonded Turntrans-79.6-12.5173.200000113.8L86 L136L86-G88 PolarHBondContact O-N 3.32Å; G88-L136 WeakPolarHBondContact CA-O 3.49Å; G88-L136 PolarHBondContact N-O 2.97Å
89G95.1Very high95.2Very high18 Ų1830.4 Ų30.419%0.18615%0.154CC..EExtended strand (participates in β ladder)trans83.4-173.3-174.700000112.8L86 G87 L136L86-G89 PolarHBondContact O-N 2.82Å; G87-G89 VanDerWaalsContact C-N 3.32Å; G89-L136 PolarHBondContact O-N 3.42Å
90S96.6Very high95.4Very high9 Ų929.8 Ų29.86%0.06315%0.151CC..EExtended strand (participates in β ladder)trans-82.6161.4174.468.50000111.9L92 D93 L94 A132 V134S90-L92 PolarHBondContact O-N 3.15Å; S90-L92 PolarHBondContact OG-N 3.28Å; S90-D93 WeakPolarHBondContact CB-OD2 3.4Å; S90-D93 PolarHBondContact N-OD2 2.89Å; S90-D93 WeakPolarHBondContact O-CB 3.36Å; S90-D93 PolarHBondContact O-N 3.42Å; S90-D93 PolarHBondContact OG-N 3.13Å; S90-D93 PolarHBondContact OG-OD2 3.43Å; S90-L94 PolarHBondContact O-N 3.22Å; S90-L94 VanDerWaalsContact O-N 3.15Å; S90-A132 WeakPolarHBondContact CB-O 3.35Å; S90-V134 CarbonylContact C-O 3.54Å; S90-V134 VanDerWaalsContact CA-O 3.27Å; S90-V134 WeakPolarHBondContact CA-O 3.28Å
91A97.9Very high95.5Very high0 Ų035.5 Ų35.50%018%0.177CC..THydrogen-bonded Turntrans-62.9-26.6171.800000111.6L94 I108 A131 V134 L136 L196A91-L94 PolarHBondContact O-N 3.46Å; A91-I108 HydrophobicContact CB-CG2 4.48Å; A91-A131 HydrophobicContact CB-CB 4.18Å; A91-A131 PolarHBondContact N-O 2.92Å; A91-V134 HydrophobicContact CB-CB 4.04Å; A91-V134 HydrophobicContact CB-CG1 4.1Å; A91-V134 PolarHBondContact N-O 2.93Å; A91-L136 HydrophobicContact CB-CD1 4.27Å; A91-L196 HydrophobicContact CB-CD2 3.87Å
92L96.2Very high95.7Very high56 Ų5637.5 Ų37.529%0.29319%0.187SC..THydrogen-bonded Turntrans-63-45.1169.2-179.462.4000111.6S90 L94 M95 A131 A132S90-L92 PolarHBondContact O-N 3.15Å; S90-L92 PolarHBondContact OG-N 3.28Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.33Å; L92-M95 HydrophobicContact CB-CE 4.44Å; L92-M95 HydrophobicContact CD1-CE 3.72Å; L92-M95 WeakPolarHBondContact O-CB 3.21Å; L92-M95 PolarHBondContact O-N 3.48Å; L92-M95 VanDerWaalsContact O-N 3.13Å; L92-A131 HydrophobicContact CB-CB 4.07Å; L92-A131 PolarHBondContact N-O 3.46Å; L92-A132 HydrophobicContact CB-CB 4.43Å; L92-A132 HydrophobicContact CD2-CB 3.92Å
93D95.6Very high95.8Very high30 Ų3039.8 Ų39.816%0.1620%0.198CC..G310 helixtrans-60.4-40.1176.8-66.4-55.5000112.4S90 M95 K96 Y274S90-D93 WeakPolarHBondContact CB-OD2 3.4Å; S90-D93 PolarHBondContact N-OD2 2.89Å; S90-D93 WeakPolarHBondContact O-CB 3.36Å; S90-D93 PolarHBondContact O-N 3.42Å; S90-D93 PolarHBondContact OG-N 3.13Å; S90-D93 PolarHBondContact OG-OD2 3.43Å; D93-M95 PolarHBondContact O-N 2.91Å; D93-M95 VanDerWaalsContact O-N 3.15Å; D93-K96 VanDerWaalsContact O-CB 3.32Å; D93-K96 WeakPolarHBondContact O-CB 3.47Å; D93-K96 PolarHBondContact O-N 2.82Å; D93-K96 WeakPolarHBondContact OD1-CE 3.46Å; D93-K96 IonicContact OD1-NZ 3.47Å; D93-K96 PolarHBondContact OD1-NZ 3.03Å; D93-Y274 HydrophobicContact CB-CD1 4.49Å; D93-Y274 HydrophobicContact CB-CD2 4.38Å; D93-Y274 HydrophobicContact CB-CE1 4.03Å; D93-Y274 HydrophobicContact CB-CE2 3.91Å; D93-Y274 VanDerWaalsContact O-CD2 3.29Å; D93-Y274 WeakPolarHBondContact O-CD2 3.48Å
94L96.5Very high95.9Very high3 Ų339.1 Ų39.12%0.01620%0.195CC..G310 helixtrans-65-16.7179.4-61.7-169.9000113.8S90 A91 L92 P97 L136 L270 I271 Y274S90-L94 PolarHBondContact O-N 3.22Å; S90-L94 VanDerWaalsContact O-N 3.15Å; A91-L94 PolarHBondContact O-N 3.46Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.33Å; L94-P97 WeakPolarHBondContact O-CD 3.42Å; L94-L136 HydrophobicContact CD1-CD1 3.67Å; L94-L136 HydrophobicContact CD1-CD2 3.63Å; L94-L136 HydrophobicContact CD1-CG 4.22Å; L94-L136 HydrophobicContact CG-CD1 4.3Å; L94-L270 HydrophobicContact CD1-CB 4.23Å; L94-I271 HydrophobicContact CD1-CG1 4.36Å; L94-I271 HydrophobicContact CD2-CG1 4.16Å; L94-Y274 HydrophobicContact CD2-CD1 4.3Å; L94-Y274 HydrophobicContact CD2-CG 4.22Å
95M96.3Very high96.1Very high19 Ų1937.3 Ų37.39%0.09419%0.186CC..G310 helixtrans-85-19.2174.1-65.2-171.4-7400113.4L92 D93 P97 G98 L100 A131 E195 L196L92-M95 HydrophobicContact CB-CE 4.44Å; L92-M95 HydrophobicContact CD1-CE 3.72Å; L92-M95 WeakPolarHBondContact O-CB 3.21Å; L92-M95 PolarHBondContact O-N 3.48Å; L92-M95 VanDerWaalsContact O-N 3.13Å; D93-M95 PolarHBondContact O-N 2.91Å; D93-M95 VanDerWaalsContact O-N 3.15Å; M95-P97 VanDerWaalsContact C-CD 3.49Å; M95-G98 CarbonylContact O-C 3.48Å; M95-G98 PolarHBondContact O-N 3.09Å; M95-G98 VanDerWaalsContact O-O 3.11Å; M95-L100 HydrophobicContact CG-CD1 3.92Å; M95-L100 HydrophobicContact CG-CD2 4.46Å; M95-L100 HydrophobicContact CG-CG 3.94Å; M95-A131 HydrophobicContact CE-CB 3.9Å; M95-E195 HydrophobicContact CE-CG 4.16Å; M95-E195 VanDerWaalsContact SD-O 3.42Å; M95-L196 HydrophobicContact CE-CD2 4.38Å; M95-L196 VanDerWaalsContact SD-CA 3.58Å; M95-L196 HydrophobicContact SD-CD2 4.26Å
96K94.5Very high96.2Very high84 Ų8434.4 Ų34.437%0.36518%0.176SC..THydrogen-bonded Turntrans-54-42.5-179.9-68.3172.4170.4166.50113.1D93 G98 Y274 W277 D286D93-K96 VanDerWaalsContact O-CB 3.32Å; D93-K96 WeakPolarHBondContact O-CB 3.47Å; D93-K96 PolarHBondContact O-N 2.82Å; D93-K96 WeakPolarHBondContact OD1-CE 3.46Å; D93-K96 IonicContact OD1-NZ 3.47Å; D93-K96 PolarHBondContact OD1-NZ 3.03Å; K96-G98 PolarHBondContact O-N 2.98Å; K96-Y274 HydrophobicContact CD-CE2 3.98Å; K96-W277 HydrophobicContact CB-CD2 4.48Å; K96-W277 HydrophobicContact CB-CE3 4.29Å; K96-W277 HydrophobicContact CB-CH2 3.96Å; K96-W277 HydrophobicContact CB-CZ2 4.1Å; K96-W277 HydrophobicContact CB-CZ3 4.05Å; K96-W277 HydrophobicContact CD-CH2 4Å; K96-W277 HydrophobicContact CD-CZ3 3.89Å; K96-W277 HydrophobicContact CG-CH2 4.39Å; K96-D286 IonicContact NZ-OD1 2.88Å; K96-D286 PolarHBondContact NZ-OD1 2.95Å
97P93.4Very high96.2Very high25 Ų2533.7 Ų33.716%0.16217%0.172CC..THydrogen-bonded Turntrans-72.9-11.7178-18.433.8000114.5L94 M95 R273 Y274 W277L94-P97 WeakPolarHBondContact O-CD 3.42Å; M95-P97 VanDerWaalsContact C-CD 3.49Å; P97-R273 HydrophobicContact CB-CG 3.81Å; P97-R273 HydrophobicContact CG-CG 4.31Å; P97-R273 PolarHBondContact O-NH2 3.46Å; P97-Y274 HydrophobicContact CG-CD2 4.15Å; P97-W277 HydrophobicContact CB-CB 4Å; P97-W277 HydrophobicContact CB-CG 4.04Å; P97-W277 HydrophobicContact CG-CB 3.76Å; P97-W277 HydrophobicContact CG-CD2 4.38Å; P97-W277 HydrophobicContact CG-CG 3.91Å
98G93.7Very high96.4Very high25 Ų2533 Ų3326%0.25816%0.164SC..SBendtrans143.1177.3179.100000113.6M95 K96M95-G98 CarbonylContact O-C 3.48Å; M95-G98 PolarHBondContact O-N 3.09Å; M95-G98 VanDerWaalsContact O-O 3.11Å; K96-G98 PolarHBondContact O-N 2.98Å
99R94.1Very high96.6Very high182 Ų18232.9 Ų32.969%0.68716%0.164SC*.PPolyproline II helixtrans-61.4144.4-175.4-66.8-172.3174.4173.20113
100L96.7Very high96.7Very high12 Ų1233.9 Ų33.96%0.06316%0.162CC..PPolyproline II helixtrans-83.8146.8174.6-53.7-174.8000110.7M95 I105 I108 L196 L270M95-L100 HydrophobicContact CG-CD1 3.92Å; M95-L100 HydrophobicContact CG-CD2 4.46Å; M95-L100 HydrophobicContact CG-CG 3.94Å; L100-I105 HydrophobicContact CB-CD1 4.17Å; L100-I105 HydrophobicContact CB-CG1 3.81Å; L100-I105 HydrophobicContact CD1-CG1 4.42Å; L100-I108 HydrophobicContact CD1-CD1 4.13Å; L100-L196 HydrophobicContact CD1-CD2 4.06Å; L100-L270 HydrophobicContact CD2-CD1 3.71Å; L100-L270 HydrophobicContact CD2-CD2 3.91Å; L100-L270 HydrophobicContact CD2-CG 4.42Å
101E96.4Very high96.8Very high124 Ų12433.9 Ų33.958%0.57916%0.161SC*.PPolyproline II helixtrans-80.7152.3171.2-57.4-177.2179.300110.4M103 H104 I105E101-M103 PolarHBondContact O-N 2.9Å; E101-H104 PolarHBondContact N-ND1 3.17Å; E101-H104 PolarHBondContact O-N 2.87Å; E101-I105 WeakPolarHBondContact O-CG1 3.49Å; E101-I105 PolarHBondContact O-N 3.04Å; E101-I105 VanDerWaalsContact O-N 3.1Å
102E97.5Very high96.9Very high45 Ų4534 Ų3421%0.2116%0.161CC..Hα-helixtrans-53.8-31177.9-73.6-168.7-146.700113.1I105 A106 Y227 S228 F231 F257E102-I105 PolarHBondContact O-N 3.37Å; E102-A106 VanDerWaalsContact O-CB 3.29Å; E102-A106 WeakPolarHBondContact O-CB 3.45Å; E102-A106 PolarHBondContact O-N 3.33Å; E102-Y227 HydrophobicContact CG-CD1 4.17Å; E102-Y227 WeakPolarHBondContact OE1-CA 3.49Å; E102-Y227 WeakPolarHBondContact OE1-CB 3.47Å; E102-S228 PolarHBondContact OE1-N 2.67Å; E102-S228 WeakPolarHBondContact OE2-CB 3.25Å; E102-S228 PolarHBondContact OE2-OG 2.88Å; E102-F231 HydrophobicContact CG-CD1 3.73Å; E102-F231 HydrophobicContact CG-CE1 4.17Å; E102-F257 HydrophobicContact CB-CE2 4.28Å
103M96.9Very high97Very high49 Ų4931.3 Ų31.324%0.24115%0.147CC..Hα-helixtrans-59.6-44.6175.7179.8-177.569.700112.2E101 V107 K262E101-M103 PolarHBondContact O-N 2.9Å; M103-V107 WeakPolarHBondContact O-CG2 3.47Å; M103-V107 PolarHBondContact O-N 2.84Å; M103-K262 HydrophobicContact CG-CD 3.97Å; M103-K262 HydrophobicContact CG-CG 4.22Å; M103-K262 HydrophobicContact SD-CD 3.45Å; M103-K262 WeakPolarHBondContact SD-CD 3.45Å; M103-K262 WeakPolarHBondContact SD-CE 3.45Å; M103-K262 HydrophobicContact SD-CG 4.33Å; M103-K262 PolarHBondContact SD-NZ 3.31Å
104H97.9Very high97.1Very high5 Ų532.6 Ų32.62%0.02315%0.152CC..Hα-helixtrans-71.9-43.5177.6-54.3109.9000111.1E101 A106 V107 I108 L267 E269 L270E101-H104 PolarHBondContact N-ND1 3.17Å; E101-H104 PolarHBondContact O-N 2.87Å; H104-A106 VanDerWaalsContact C-N 3.28Å; H104-A106 PolarHBondContact O-N 3.18Å; H104-V107 WeakPolarHBondContact O-CB 3.27Å; H104-V107 PolarHBondContact O-N 2.71Å; H104-I108 PolarHBondContact O-N 3.09Å; H104-L267 HydrophobicContact CB-CD2 3.92Å; H104-E269 IonicContact CD2-OE1 3.51Å; H104-E269 IonicContact CE1-OE1 3.12Å; H104-E269 PolarHBondContact CE1-OE1 2.9Å; H104-E269 IonicContact NE2-OE1 3.74Å; H104-E269 PolarHBondContact NE2-OE1 3.42Å; H104-L270 HydrophobicContact CB-CD1 3.55Å; H104-L270 VanDerWaalsContact CG-CD1 3.46Å
105I98.4Very high97.2Very high0 Ų032.4 Ų32.40%015%0.151CC..Hα-helixtrans-58-43.6178.9-60.8171.7000110.4L100 E101 E102 V107 I108 I109 L196 A197 F231 F257L100-I105 HydrophobicContact CB-CD1 4.17Å; L100-I105 HydrophobicContact CB-CG1 3.81Å; L100-I105 HydrophobicContact CD1-CG1 4.42Å; E101-I105 WeakPolarHBondContact O-CG1 3.49Å; E101-I105 PolarHBondContact O-N 3.04Å; E101-I105 VanDerWaalsContact O-N 3.1Å; E102-I105 PolarHBondContact O-N 3.37Å; I105-V107 VanDerWaalsContact C-N 3.29Å; I105-V107 PolarHBondContact O-N 3.29Å; I105-I108 PolarHBondContact O-N 2.68Å; I105-I109 HydrophobicContact CG2-CD1 3.62Å; I105-I109 HydrophobicContact CG2-CG1 4.23Å; I105-I109 WeakPolarHBondContact O-CB 3.5Å; I105-I109 WeakPolarHBondContact O-CG1 3.16Å; I105-I109 PolarHBondContact O-N 3.26Å; I105-L196 HydrophobicContact CD1-CB 4.43Å; I105-L196 HydrophobicContact CG1-CB 4.17Å; I105-L196 HydrophobicContact CG2-CB 4.11Å; I105-L196 HydrophobicContact CG2-CD1 4.29Å; I105-A197 HydrophobicContact CD1-CB 4.11Å; I105-F231 HydrophobicContact CD1-CE1 4.18Å; I105-F231 HydrophobicContact CD1-CZ 4.27Å; I105-F231 HydrophobicContact CG2-CE1 4.46Å; I105-F231 HydrophobicContact CG2-CE2 4.05Å; I105-F231 HydrophobicContact CG2-CZ 3.68Å; I105-F257 HydrophobicContact CG2-CZ 4.3Å
106A98.5Very high97.2Very high5 Ų531.5 Ų31.54%0.04115%0.146CC..Hα-helixtrans-61.4-35.9177.400000112.9E102 H104 R110 F257 A261E102-A106 VanDerWaalsContact O-CB 3.29Å; E102-A106 WeakPolarHBondContact O-CB 3.45Å; E102-A106 PolarHBondContact O-N 3.33Å; H104-A106 VanDerWaalsContact C-N 3.28Å; H104-A106 PolarHBondContact O-N 3.18Å; A106-R110 WeakPolarHBondContact O-CB 3.06Å; A106-R110 PolarHBondContact O-N 3.4Å; A106-F257 HydrophobicContact CB-CD1 4.35Å; A106-F257 HydrophobicContact CB-CE1 3.81Å; A106-F257 HydrophobicContact CB-CE2 4.12Å; A106-F257 HydrophobicContact CB-CZ 3.7Å; A106-A261 HydrophobicContact CB-CB 3.94Å
107V98.5Very high97.4Very high0 Ų030 Ų300%014%0.142CC..Hα-helixtrans-68.9-49175.7177.20000110.4M103 H104 I105 I109 R110 E111 A261 K262 V266 L267M103-V107 WeakPolarHBondContact O-CG2 3.47Å; M103-V107 PolarHBondContact O-N 2.84Å; H104-V107 WeakPolarHBondContact O-CB 3.27Å; H104-V107 PolarHBondContact O-N 2.71Å; I105-V107 VanDerWaalsContact C-N 3.29Å; I105-V107 PolarHBondContact O-N 3.29Å; V107-I109 PolarHBondContact O-N 2.76Å; V107-R110 WeakPolarHBondContact O-CB 3.33Å; V107-R110 PolarHBondContact O-N 3.18Å; V107-E111 WeakPolarHBondContact O-CG 3.47Å; V107-E111 PolarHBondContact O-N 2.79Å; V107-E111 VanDerWaalsContact O-N 3.15Å; V107-A261 HydrophobicContact CG2-CB 4.13Å; V107-K262 HydrophobicContact CG2-CB 4.4Å; V107-K262 WeakPolarHBondContact CG2-O 3.48Å; V107-V266 HydrophobicContact CG2-CG2 3.93Å; V107-L267 HydrophobicContact CB-CD1 4.38Å; V107-L267 HydrophobicContact CB-CD2 4.29Å; V107-L267 HydrophobicContact CB-CG 4.42Å; V107-L267 HydrophobicContact CG1-CD1 3.65Å; V107-L267 HydrophobicContact CG1-CD2 4.33Å; V107-L267 HydrophobicContact CG1-CG 3.93Å
108I98.7Very high97.5Very high0 Ų030.8 Ų30.80%014%0.142CC..Hα-helixtrans-58.2-49178.5-66.5169.8000110.4A91 L100 H104 I105 R110 E111 I112 V134 L196 L267A91-I108 HydrophobicContact CB-CG2 4.48Å; L100-I108 HydrophobicContact CD1-CD1 4.13Å; H104-I108 PolarHBondContact O-N 3.09Å; I105-I108 PolarHBondContact O-N 2.68Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.47Å; I108-E111 PolarHBondContact O-N 3.37Å; I108-I112 HydrophobicContact CG2-CD1 3.79Å; I108-I112 HydrophobicContact CG2-CG1 4.42Å; I108-I112 WeakPolarHBondContact O-CG1 3.46Å; I108-I112 PolarHBondContact O-N 2.8Å; I108-V134 HydrophobicContact CG2-CG1 4.05Å; I108-L196 HydrophobicContact CB-CD1 4.45Å; I108-L196 HydrophobicContact CG2-CD1 3.86Å; I108-L267 HydrophobicContact CD1-CD2 4.3Å; I108-L267 HydrophobicContact CG1-CD1 4.01Å; I108-L267 HydrophobicContact CG1-CD2 4.01Å
109I98.7Very high97.5Very high0 Ų029.6 Ų29.60%013%0.13CC..Hα-helixtrans-61.5-40.2178.7-73.7177000111.9I105 V107 E111 I112 L113 L189 A193 L196 F231 F234 F257 V258I105-I109 HydrophobicContact CG2-CD1 3.62Å; I105-I109 HydrophobicContact CG2-CG1 4.23Å; I105-I109 WeakPolarHBondContact O-CB 3.5Å; I105-I109 WeakPolarHBondContact O-CG1 3.16Å; I105-I109 PolarHBondContact O-N 3.26Å; V107-I109 PolarHBondContact O-N 2.76Å; I109-E111 VanDerWaalsContact C-N 3.32Å; I109-E111 PolarHBondContact O-N 3.47Å; I109-I112 PolarHBondContact O-N 2.86Å; I109-L113 HydrophobicContact CG2-CD1 3.91Å; I109-L113 HydrophobicContact CG2-CG 4.38Å; I109-L113 WeakPolarHBondContact O-CB 3.4Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.42Å; I109-L113 PolarHBondContact O-N 2.99Å; I109-L189 HydrophobicContact CG1-CD1 4.46Å; I109-L189 HydrophobicContact CG2-CD1 4.5Å; I109-A193 HydrophobicContact CD1-CB 3.55Å; I109-L196 HydrophobicContact CG1-CD1 4.34Å; I109-F231 HydrophobicContact CD1-CE2 4.22Å; I109-F234 HydrophobicContact CD1-CE1 4.04Å; I109-F234 HydrophobicContact CG2-CE1 3.73Å; I109-F234 HydrophobicContact CG2-CE2 4.05Å; I109-F234 HydrophobicContact CG2-CZ 3.34Å; I109-F257 HydrophobicContact CD1-CE1 4.05Å; I109-V258 HydrophobicContact CG2-CG2 4.06Å
110R98.7Very high97.5Very high39 Ų3922.7 Ų22.715%0.14711%0.105CC..Hα-helixtrans-57.9-47.3176.1-176.4-174.564.9-143.9-8.4111.3A106 V107 I108 L113 K114 L253 V258 A261 K262 N264A106-R110 WeakPolarHBondContact O-CB 3.06Å; A106-R110 PolarHBondContact O-N 3.4Å; V107-R110 WeakPolarHBondContact O-CB 3.33Å; V107-R110 PolarHBondContact O-N 3.18Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.47Å; R110-L113 WeakPolarHBondContact O-CB 3.28Å; R110-L113 PolarHBondContact O-N 3.45Å; R110-K114 WeakPolarHBondContact O-CG 3.49Å; R110-K114 PolarHBondContact O-N 3.09Å; R110-K114 VanDerWaalsContact O-N 3.08Å; R110-L253 HydrophobicContact CG-CD2 4.19Å; R110-V258 HydrophobicContact CB-CG1 3.72Å; R110-V258 HydrophobicContact CG-CG1 3.76Å; R110-A261 HydrophobicContact CB-CB 4.47Å; R110-A261 PolarHBondContact NH1-O 3.48Å; R110-A261 VanDerWaalsContact NH1-O 3.13Å; R110-K262 VanDerWaalsContact CZ-O 3.29Å; R110-K262 PolarHBondContact NH1-O 2.85Å; R110-K262 PolarHBondContact NH2-O 2.99Å; R110-N264 PolarHBondContact NH2-OD1 3.28Å
111E98.6Very high97.4Very high9 Ų925.9 Ų25.94%0.04213%0.128CC..Hα-helixtrans-71.7-37.3-176.8-58.3-56.39900111.5V107 I108 I109 L113 K114 G115 V142 N264V107-E111 WeakPolarHBondContact O-CG 3.47Å; V107-E111 PolarHBondContact O-N 2.79Å; V107-E111 VanDerWaalsContact O-N 3.15Å; I108-E111 PolarHBondContact O-N 3.37Å; I109-E111 VanDerWaalsContact C-N 3.32Å; I109-E111 PolarHBondContact O-N 3.47Å; E111-L113 VanDerWaalsContact C-N 3.32Å; E111-L113 PolarHBondContact O-N 2.58Å; E111-K114 PolarHBondContact O-N 2.65Å; E111-K114 WeakPolarHBondContact OE1-CE 3.23Å; E111-K114 IonicContact OE1-NZ 2.73Å; E111-K114 PolarHBondContact OE1-NZ 2.92Å; E111-K114 IonicContact OE2-NZ 2.65Å; E111-G115 PolarHBondContact O-N 3.5Å; E111-V142 HydrophobicContact CB-CB 3.57Å; E111-V142 HydrophobicContact CB-CG1 4.01Å; E111-V142 HydrophobicContact CB-CG2 4.23Å; E111-V142 HydrophobicContact CG-CB 3.99Å; E111-V142 HydrophobicContact CG-CG2 4.2Å; E111-N264 PolarHBondContact OE2-ND2 3Å
112I98.6Very high97.1Very high1 Ų124.7 Ų24.71%0.00512%0.123CC..Hα-helixtrans-56.2-47.5169.2-67.1165.5000110.5I108 I109 K114 G115 L116 V134 L144 L189I108-I112 HydrophobicContact CG2-CD1 3.79Å; I108-I112 HydrophobicContact CG2-CG1 4.42Å; I108-I112 WeakPolarHBondContact O-CG1 3.46Å; I108-I112 PolarHBondContact O-N 2.8Å; I109-I112 PolarHBondContact O-N 2.86Å; I112-K114 VanDerWaalsContact C-N 3.3Å; I112-K114 PolarHBondContact O-N 2.87Å; I112-G115 CarbonylContact O-C 3.41Å; I112-G115 WeakPolarHBondContact O-CA 3.41Å; I112-G115 PolarHBondContact O-N 3.16Å; I112-G115 VanDerWaalsContact O-N 3.08Å; I112-L116 HydrophobicContact CG2-CD1 3.96Å; I112-L116 HydrophobicContact CG2-CG 4.18Å; I112-L116 PolarHBondContact O-N 2.87Å; I112-V134 HydrophobicContact CD1-CB 4.49Å; I112-V134 HydrophobicContact CD1-CG1 4.05Å; I112-V134 HydrophobicContact CD1-CG2 3.67Å; I112-V134 HydrophobicContact CG1-CG1 3.95Å; I112-V134 HydrophobicContact CG1-CG2 3.87Å; I112-L144 HydrophobicContact CB-CD2 4.49Å; I112-L144 HydrophobicContact CG1-CD2 4.26Å; I112-L144 HydrophobicContact CG2-CD2 4.11Å; I112-L189 HydrophobicContact CB-CD1 4.3Å; I112-L189 HydrophobicContact CD1-CD1 4.29Å; I112-L189 HydrophobicContact CG2-CD1 3.68Å
113L98.7Very high96.6Very high0 Ų033.9 Ų33.90%016%0.156CC..Hα-helixtrans-61.4-36.4179.3-79.5168.9000112.8I109 R110 E111 L116 D117 L189 F234 A249 L252 L253 V258I109-L113 HydrophobicContact CG2-CD1 3.91Å; I109-L113 HydrophobicContact CG2-CG 4.38Å; I109-L113 WeakPolarHBondContact O-CB 3.4Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.42Å; I109-L113 PolarHBondContact O-N 2.99Å; R110-L113 WeakPolarHBondContact O-CB 3.28Å; R110-L113 PolarHBondContact O-N 3.45Å; E111-L113 VanDerWaalsContact C-N 3.32Å; E111-L113 PolarHBondContact O-N 2.58Å; L113-L116 PolarHBondContact O-N 3.31Å; L113-D117 VanDerWaalsContact O-CB 3.28Å; L113-D117 WeakPolarHBondContact O-CB 3.38Å; L113-D117 PolarHBondContact O-N 3.47Å; L113-L189 HydrophobicContact CD2-CD2 3.38Å; L113-L189 HydrophobicContact CG-CD2 3.81Å; L113-F234 HydrophobicContact CD1-CE2 4.02Å; L113-F234 HydrophobicContact CD1-CZ 4.09Å; L113-A249 HydrophobicContact CD2-CB 4.06Å; L113-L252 HydrophobicContact CD1-CB 3.81Å; L113-L252 HydrophobicContact CD2-CB 3.58Å; L113-L252 HydrophobicContact CD2-CD1 3.85Å; L113-L252 HydrophobicContact CD2-CG 4.38Å; L113-L252 HydrophobicContact CG-CB 4.37Å; L113-L253 HydrophobicContact CB-CD2 3.6Å; L113-L253 HydrophobicContact CB-CG 3.93Å; L113-L253 HydrophobicContact CD1-CD2 4.37Å; L113-V258 HydrophobicContact CD1-CG1 4.14Å; L113-V258 HydrophobicContact CD1-CG2 3.75Å
114K98.5Very high96.2Very high57 Ų5732.7 Ų32.725%0.24815%0.149CC..Hα-helixtrans-67.1-38.1173.5-66.5177.6-174.1163.90111.9Y65 R110 E111 I112 Y118 L253Y65-K114 HydrophobicContact CD1-CB 4.02Å; Y65-K114 HydrophobicContact CD1-CD 4.28Å; Y65-K114 HydrophobicContact CD2-CB 3.62Å; Y65-K114 HydrophobicContact CE1-CB 4.08Å; Y65-K114 HydrophobicContact CE1-CD 3.57Å; Y65-K114 HydrophobicContact CE2-CB 3.66Å; Y65-K114 HydrophobicContact CE2-CD 3.91Å; Y65-K114 HydrophobicContact CE2-CG 4.36Å; Y65-K114 HydrophobicContact CG-CB 3.82Å; Y65-K114 WeakPolarHBondContact OH-CD 3.43Å; R110-K114 WeakPolarHBondContact O-CG 3.49Å; R110-K114 PolarHBondContact O-N 3.09Å; R110-K114 VanDerWaalsContact O-N 3.08Å; E111-K114 PolarHBondContact O-N 2.65Å; E111-K114 WeakPolarHBondContact OE1-CE 3.23Å; E111-K114 IonicContact OE1-NZ 2.73Å; E111-K114 PolarHBondContact OE1-NZ 2.92Å; E111-K114 IonicContact OE2-NZ 2.65Å; I112-K114 VanDerWaalsContact C-N 3.3Å; I112-K114 PolarHBondContact O-N 2.87Å; K114-Y118 WeakPolarHBondContact O-CB 3.45Å; K114-Y118 PolarHBondContact O-N 3.39Å; K114-Y118 VanDerWaalsContact O-N 3.1Å; K114-L253 HydrophobicContact CG-CD1 4.37Å; K114-L253 HydrophobicContact CG-CD2 3.9Å
115G97.5Very high95.7Very high0 Ų034.4 Ų34.40%016%0.158CC..Hα-helixtrans-62.9-46.6172.400000112.4Y65 E111 I112 Y118 L119Y65-G115 VanDerWaalsContact CB-CA 3.49Å; E111-G115 PolarHBondContact O-N 3.5Å; I112-G115 CarbonylContact O-C 3.41Å; I112-G115 WeakPolarHBondContact O-CA 3.41Å; I112-G115 PolarHBondContact O-N 3.16Å; I112-G115 VanDerWaalsContact O-N 3.08Å; G115-Y118 WeakPolarHBondContact O-CB 3.18Å; G115-Y118 PolarHBondContact O-N 3.34Å; G115-L119 VanDerWaalsContact O-CG 3.31Å; G115-L119 WeakPolarHBondContact O-CG 3.33Å; G115-L119 PolarHBondContact O-N 3.13Å
116L97.3Very high95.3Very high0 Ų034.4 Ų34.40%016%0.158CC..Hα-helixtrans-65.1-42.6176.6-70.6-179.7000112.3I112 L113 Y118 L119 H120 H126 I129 L144 D185 L189 A249I112-L116 HydrophobicContact CG2-CD1 3.96Å; I112-L116 HydrophobicContact CG2-CG 4.18Å; I112-L116 PolarHBondContact O-N 2.87Å; L113-L116 PolarHBondContact O-N 3.31Å; L116-Y118 VanDerWaalsContact C-N 3.3Å; L116-Y118 PolarHBondContact O-N 3.09Å; L116-L119 PolarHBondContact O-N 3.42Å; L116-H120 VanDerWaalsContact O-CB 3.25Å; L116-H120 WeakPolarHBondContact O-CB 3.12Å; L116-H120 PolarHBondContact O-CD2 3.27Å; L116-H120 PolarHBondContact O-N 2.94Å; L116-H126 HydrophobicContact CD2-CB 4.23Å; L116-I129 HydrophobicContact CD2-CD1 3.82Å; L116-I129 HydrophobicContact CD2-CG1 4.06Å; L116-L144 HydrophobicContact CD2-CD1 4.1Å; L116-L144 HydrophobicContact CG-CD1 4.29Å; L116-D185 HydrophobicContact CD1-CB 4.27Å; L116-D185 HydrophobicContact CD2-CB 3.85Å; L116-L189 HydrophobicContact CD1-CB 4.41Å; L116-L189 HydrophobicContact CD1-CD2 4.22Å; L116-A249 HydrophobicContact CB-CB 3.9Å
117D97.8Very high94.8Very high51 Ų5138 Ų3827%0.27317%0.171SC..Hα-helixtrans-58.7-43.7176.4-170.145.8000111.3L113 S121 A249 R250 L253L113-D117 VanDerWaalsContact O-CB 3.28Å; L113-D117 WeakPolarHBondContact O-CB 3.38Å; L113-D117 PolarHBondContact O-N 3.47Å; D117-S121 VanDerWaalsContact O-CB 3.27Å; D117-S121 WeakPolarHBondContact O-CB 3.46Å; D117-S121 PolarHBondContact O-N 3.25Å; D117-S121 PolarHBondContact O-OG 3.12Å; D117-A249 HydrophobicContact CB-CB 4.03Å; D117-R250 WeakPolarHBondContact OD1-CB 3.2Å; D117-L253 HydrophobicContact CB-CD1 4.41Å
118Y96.3Very high94.4Very high43 Ų4340 Ų4017%0.16918%0.181CC..Hα-helixtrans-57.8-55.5172.3168.5-103.9000111.7C61 D62 S63 V66 K114 G115 L116 H120 S121 E122C61-Y118 WeakPolarHBondContact CA-OH 3.35Å; C61-Y118 HydrophobicContact CB-CE1 4.27Å; D62-Y118 PolarHBondContact N-OH 3.12Å; S63-Y118 VanDerWaalsContact CB-CD1 3.45Å; S63-Y118 VanDerWaalsContact CB-CE1 3.46Å; V66-Y118 HydrophobicContact CG2-CD1 4Å; V66-Y118 HydrophobicContact CG2-CE1 4.23Å; K114-Y118 WeakPolarHBondContact O-CB 3.45Å; K114-Y118 PolarHBondContact O-N 3.39Å; K114-Y118 VanDerWaalsContact O-N 3.1Å; G115-Y118 WeakPolarHBondContact O-CB 3.18Å; G115-Y118 PolarHBondContact O-N 3.34Å; L116-Y118 VanDerWaalsContact C-N 3.3Å; L116-Y118 PolarHBondContact O-N 3.09Å; Y118-H120 PolarHBondContact O-N 3.43Å; Y118-S121 PolarHBondContact O-N 2.86Å; Y118-S121 PolarHBondContact O-OG 2.85Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 HydrophobicContact CE2-CG 3.93Å; Y118-E122 WeakPolarHBondContact O-CG 3.34Å; Y118-E122 PolarHBondContact O-N 3.23Å; Y118-E122 VanDerWaalsContact O-N 3.12Å
119L93.5Very high94.2Very high0 Ų040 Ų400%018%0.182CC..Hα-helixtrans-60.1-45.3-177.6-68.7173.5000112.2V66 G115 L116 S121 E122 R123 K124 H126 L144 F147V66-L119 HydrophobicContact CG2-CD2 4.19Å; V66-L119 HydrophobicContact CG2-CG 4.37Å; G115-L119 VanDerWaalsContact O-CG 3.31Å; G115-L119 WeakPolarHBondContact O-CG 3.33Å; G115-L119 PolarHBondContact O-N 3.13Å; L116-L119 PolarHBondContact O-N 3.42Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.11Å; L119-E122 CarbonylContact O-C 3.6Å; L119-E122 WeakPolarHBondContact O-CA 3.49Å; L119-E122 PolarHBondContact O-N 3.39Å; L119-E122 VanDerWaalsContact O-N 3.13Å; L119-R123 PolarHBondContact O-N 2.89Å; L119-K124 CarbonylContact C-O 3.18Å; L119-K124 HydrophobicContact CB-CB 4.29Å; L119-K124 HydrophobicContact CD2-CB 4.23Å; L119-K124 HydrophobicContact CD2-CD 4.28Å; L119-K124 WeakPolarHBondContact O-CA 3.47Å; L119-K124 WeakPolarHBondContact O-CB 3.24Å; L119-K124 PolarHBondContact O-N 2.87Å; L119-H126 HydrophobicContact CD1-CB 4.2Å; L119-L144 HydrophobicContact CD1-CD1 3.83Å; L119-F147 HydrophobicContact CD1-CE1 3.65Å; L119-F147 HydrophobicContact CD1-CZ 4.22Å; L119-F147 HydrophobicContact CD2-CE1 3.56Å; L119-F147 HydrophobicContact CD2-CZ 3.9Å; L119-F147 HydrophobicContact CG-CE1 4.25Å
120H93.9Very high94Very high36 Ų3641.5 Ų41.517%0.16719%0.188CC..Hα-helixtrans-66.6-35.9-179.1-62.7175.2000111.4L116 Y118 E122 R123 K124 A182 D185L116-H120 VanDerWaalsContact O-CB 3.25Å; L116-H120 WeakPolarHBondContact O-CB 3.12Å; L116-H120 PolarHBondContact O-CD2 3.27Å; L116-H120 PolarHBondContact O-N 2.94Å; Y118-H120 PolarHBondContact O-N 3.43Å; H120-E122 VanDerWaalsContact C-N 3.26Å; H120-E122 PolarHBondContact O-N 3.47Å; H120-R123 PolarHBondContact O-N 2.84Å; H120-R123 VanDerWaalsContact O-N 3.11Å; H120-K124 PolarHBondContact CD2-O 3.18Å; H120-A182 HydrophobicContact CB-CB 4.15Å; H120-A182 PolarHBondContact CE1-O 2.74Å; H120-A182 PolarHBondContact NE2-O 2.93Å; H120-D185 IonicContact CD2-OD2 3.8Å; H120-D185 IonicContact CE1-OD2 3.2Å; H120-D185 IonicContact NE2-OD2 3.83Å; H120-D185 PolarHBondContact NE2-OD2 3.17Å
121S93.6Very high93.9Very high79 Ų7939.7 Ų39.755%0.55218%0.181SC*.Hα-helixtrans-64.6-31.9173.576.90000112.9D117 Y118 L119 R123D117-S121 VanDerWaalsContact O-CB 3.27Å; D117-S121 WeakPolarHBondContact O-CB 3.46Å; D117-S121 PolarHBondContact O-N 3.25Å; D117-S121 PolarHBondContact O-OG 3.12Å; Y118-S121 PolarHBondContact O-N 2.86Å; Y118-S121 PolarHBondContact O-OG 2.85Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.11Å; S121-R123 PolarHBondContact O-N 3.23Å
122E90.1Very high93.7Very high99 Ų9940.9 Ų40.946%0.46319%0.192SC..THydrogen-bonded Turntrans-85.29.3175-69-67.3124.800113.1Y118 L119 H120 K124Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 HydrophobicContact CE2-CG 3.93Å; Y118-E122 WeakPolarHBondContact O-CG 3.34Å; Y118-E122 PolarHBondContact O-N 3.23Å; Y118-E122 VanDerWaalsContact O-N 3.12Å; L119-E122 CarbonylContact O-C 3.6Å; L119-E122 WeakPolarHBondContact O-CA 3.49Å; L119-E122 PolarHBondContact O-N 3.39Å; L119-E122 VanDerWaalsContact O-N 3.13Å; H120-E122 VanDerWaalsContact C-N 3.26Å; H120-E122 PolarHBondContact O-N 3.47Å; E122-K124 HydrophobicContact CB-CD 3.97Å; E122-K124 HydrophobicContact CB-CG 4.38Å; E122-K124 PolarHBondContact O-N 2.88Å; E122-K124 IonicContact OE2-NZ 2.87Å
123R88.8Confident93.5Very high238 Ų23841.4 Ų41.490%0.89820%0.195SC*.THydrogen-bonded Turntrans57.928.2-176.9-51.5-177.2-179.4-152.5-0.1113.9L119 H120 S121L119-R123 PolarHBondContact O-N 2.89Å; H120-R123 PolarHBondContact O-N 2.84Å; H120-R123 VanDerWaalsContact O-N 3.11Å; S121-R123 PolarHBondContact O-N 3.23Å
124K87.5Confident93.4Very high24 Ų2441.4 Ų41.410%0.10420%0.195CC..  trans-101.1148.1174.4-65.8161.3-176.1146.60109.4V57 Q60 L119 H120 E122V57-K124 HydrophobicContact CG1-CD 4.25Å; V57-K124 HydrophobicContact CG1-CG 4.49Å; Q60-K124 PolarHBondContact O-NZ 2.94Å; Q60-K124 VanDerWaalsContact O-NZ 3.15Å; L119-K124 CarbonylContact C-O 3.18Å; L119-K124 HydrophobicContact CB-CB 4.29Å; L119-K124 HydrophobicContact CD2-CB 4.23Å; L119-K124 HydrophobicContact CD2-CD 4.28Å; L119-K124 WeakPolarHBondContact O-CA 3.47Å; L119-K124 WeakPolarHBondContact O-CB 3.24Å; L119-K124 PolarHBondContact O-N 2.87Å; H120-K124 PolarHBondContact CD2-O 3.18Å; E122-K124 HydrophobicContact CB-CD 3.97Å; E122-K124 HydrophobicContact CB-CG 4.38Å; E122-K124 PolarHBondContact O-N 2.88Å; E122-K124 IonicContact OE2-NZ 2.87Å
125I88.1Confident93.3Very high41 Ų4140.9 Ų40.921%0.2120%0.195CC..  trans-122.7132.6176-50.7172.2000106.8R127 Y180 D185I125-R127 HydrophobicContact CB-CG 4.04Å; I125-R127 HydrophobicContact CG2-CG 3.67Å; I125-Y180 HydrophobicContact CD1-CD2 4.33Å; I125-Y180 HydrophobicContact CD1-CE2 4.13Å; I125-Y180 HydrophobicContact CG2-CE2 4.36Å; I125-D185 WeakPolarHBondContact CG2-OD2 3.48Å
126H90Very high93.4Very high0 Ų040.9 Ų40.90%020%0.195CC..  trans-74.4-42.1-177-169.4-75.8000112.4L116 L119 D128 I129 A145 D146 F147 G148 D185L116-H126 HydrophobicContact CD2-CB 4.23Å; L119-H126 HydrophobicContact CD1-CB 4.2Å; H126-D128 PolarHBondContact CE1-O 2.94Å; H126-D128 PolarHBondContact ND1-N 2.83Å; H126-D128 PolarHBondContact ND1-O 2.81Å; H126-D128 PolarHBondContact O-N 2.83Å; H126-I129 HydrophobicContact CB-CD1 3.77Å; H126-I129 HydrophobicContact CB-CG1 3.92Å; H126-I129 WeakPolarHBondContact ND1-CD1 3.35Å; H126-A145 PolarHBondContact CE1-O 2.88Å; H126-A145 VanDerWaalsContact CE1-O 3.27Å; H126-A145 PolarHBondContact NE2-O 3.37Å; H126-D146 PolarHBondContact CE1-O 3.26Å; H126-D146 VanDerWaalsContact CE1-O 3.27Å; H126-F147 AromaticContact CD2-CE1 3.96Å; H126-G148 WeakPolarHBondContact O-CA 3.28Å; H126-G148 PolarHBondContact O-N 2.79Å; H126-D185 PolarHBondContact N-OD1 2.96Å; H126-D185 PolarHBondContact N-OD2 3.14Å
127R88.2Confident93.3Very high82 Ų8241.3 Ų41.331%0.30920%0.198SC..  trans69.6-16.7174.3-55.3165.5172.4-168.8-2.7116.9I125 G148 Y180 D185I125-R127 HydrophobicContact CB-CG 4.04Å; I125-R127 HydrophobicContact CG2-CG 3.67Å; R127-G148 WeakPolarHBondContact CB-O 3.37Å; R127-G148 WeakPolarHBondContact CD-O 3.4Å; R127-Y180 WeakPolarHBondContact CD-OH 3.36Å; R127-Y180 HydrophobicContact CG-CE2 4.12Å; R127-Y180 PolarHBondContact NE-OH 2.99Å; R127-D185 WeakPolarHBondContact CA-OD1 3.37Å; R127-D185 PolarHBondContact N-OD1 2.83Å
128D88.9Confident93.2Very high41 Ų4143.3 Ų43.322%0.21921%0.206CC..  trans-131.553.8178.1-165.427.2000112H126 K130 N133H126-D128 PolarHBondContact CE1-O 2.94Å; H126-D128 PolarHBondContact ND1-N 2.83Å; H126-D128 PolarHBondContact ND1-O 2.81Å; H126-D128 PolarHBondContact O-N 2.83Å; D128-K130 PolarHBondContact O-N 2.8Å; D128-K130 WeakPolarHBondContact OD1-CE 3.44Å; D128-K130 IonicContact OD1-NZ 3.71Å; D128-K130 PolarHBondContact OD1-NZ 2.77Å; D128-K130 WeakPolarHBondContact OD2-CE 3.25Å; D128-K130 IonicContact OD2-NZ 2.76Å; D128-K130 PolarHBondContact OD2-NZ 2.97Å; D128-N133 VanDerWaalsContact CG-ND2 3.27Å; D128-N133 PolarHBondContact O-ND2 2.84Å; D128-N133 PolarHBondContact OD2-ND2 3.12Å
129I94.9Very high93.2Very high1 Ų147 Ų471%0.00523%0.225CC..  trans-78.1117.3176.2-64.3-67.7000109.8L116 H126 L144 W169 D185 L189 T192L116-I129 HydrophobicContact CD2-CD1 3.82Å; L116-I129 HydrophobicContact CD2-CG1 4.06Å; H126-I129 HydrophobicContact CB-CD1 3.77Å; H126-I129 HydrophobicContact CB-CG1 3.92Å; H126-I129 WeakPolarHBondContact ND1-CD1 3.35Å; I129-L144 HydrophobicContact CD1-CD1 4.24Å; I129-L144 HydrophobicContact CD1-CD2 3.77Å; I129-W169 VanDerWaalsContact O-CD1 3.29Å; I129-D185 HydrophobicContact CG1-CB 4.32Å; I129-L189 HydrophobicContact CG2-CB 4.45Å; I129-T192 PolarHBondContact O-OG1 2.9Å
130K94.9Very high93.4Very high31 Ų3147 Ų4714%0.13523%0.225CC..SBendtrans-160.5161.7177.860.2-169.2179.9-148.30110D128 A132 N133 W169 T192D128-K130 PolarHBondContact O-N 2.8Å; D128-K130 WeakPolarHBondContact OD1-CE 3.44Å; D128-K130 IonicContact OD1-NZ 3.71Å; D128-K130 PolarHBondContact OD1-NZ 2.77Å; D128-K130 WeakPolarHBondContact OD2-CE 3.25Å; D128-K130 IonicContact OD2-NZ 2.76Å; D128-K130 PolarHBondContact OD2-NZ 2.97Å; K130-A132 HydrophobicContact CG-CB 4.22Å; K130-A132 PolarHBondContact O-N 3.41Å; K130-A132 VanDerWaalsContact O-N 3.16Å; K130-N133 WeakPolarHBondContact CE-ND2 3.5Å; K130-N133 HydrophobicContact CG-CB 4.24Å; K130-N133 PolarHBondContact O-N 2.87Å; K130-W169 HydrophobicContact CB-CD2 3.86Å; K130-W169 HydrophobicContact CB-CE3 4.49Å; K130-W169 HydrophobicContact CB-CG 4.05Å; K130-W169 HydrophobicContact CB-CZ2 4.05Å; K130-T192 WeakPolarHBondContact CA-OG1 3.12Å
131A96.5Very high93.5Very high0 Ų048.7 Ų48.70%024%0.235CC..G310 helixtrans-61.1-28.3-17500000113.6A91 L92 M95 N133 V134 T192 E195 L196A91-A131 HydrophobicContact CB-CB 4.18Å; A91-A131 PolarHBondContact N-O 2.92Å; L92-A131 HydrophobicContact CB-CB 4.07Å; L92-A131 PolarHBondContact N-O 3.46Å; M95-A131 HydrophobicContact CE-CB 3.9Å; A131-N133 VanDerWaalsContact C-N 3.29Å; A131-N133 PolarHBondContact O-N 3.3Å; A131-V134 PolarHBondContact O-N 2.81Å; A131-T192 HydrophobicContact CB-CG2 4.42Å; A131-E195 HydrophobicContact CB-CG 4.21Å; A131-E195 VanDerWaalsContact CB-OE1 3.24Å; A131-E195 WeakPolarHBondContact CB-OE1 3.37Å; A131-E195 WeakPolarHBondContact CB-OE2 3.42Å; A131-E195 PolarHBondContact N-OE1 2.76Å; A131-E195 PolarHBondContact N-OE2 2.84Å; A131-L196 HydrophobicContact CB-CD2 4.07Å
132A93Very high93.8Very high34 Ų3445 Ų4528%0.28121%0.209SC..G310 helixtrans-62.3-32.6174.800000113.4S90 L92 K130 V134S90-A132 WeakPolarHBondContact CB-O 3.35Å; L92-A132 HydrophobicContact CB-CB 4.43Å; L92-A132 HydrophobicContact CD2-CB 3.92Å; K130-A132 HydrophobicContact CG-CB 4.22Å; K130-A132 PolarHBondContact O-N 3.41Å; K130-A132 VanDerWaalsContact O-N 3.16Å; A132-V134 VanDerWaalsContact C-N 3.34Å
133N94.5Very high94.1Very high12 Ų1241.1 Ų41.16%0.06419%0.19CC..G310 helixtrans-94.811.5-177.2-69.40.3000112.8D128 K130 A131 A145D128-N133 VanDerWaalsContact CG-ND2 3.27Å; D128-N133 PolarHBondContact O-ND2 2.84Å; D128-N133 PolarHBondContact OD2-ND2 3.12Å; K130-N133 WeakPolarHBondContact CE-ND2 3.5Å; K130-N133 HydrophobicContact CG-CB 4.24Å; K130-N133 PolarHBondContact O-N 2.87Å; A131-N133 VanDerWaalsContact C-N 3.29Å; A131-N133 PolarHBondContact O-N 3.3Å; N133-A145 PolarHBondContact O-N 2.65Å
134V97.3Very high94.5Very high1 Ų129.8 Ų29.81%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-111.5103.6176.6178.40000107.6S90 A91 I108 I112 A131 A132 V142 L144S90-V134 CarbonylContact C-O 3.54Å; S90-V134 VanDerWaalsContact CA-O 3.27Å; S90-V134 WeakPolarHBondContact CA-O 3.28Å; A91-V134 HydrophobicContact CB-CB 4.04Å; A91-V134 HydrophobicContact CB-CG1 4.1Å; A91-V134 PolarHBondContact N-O 2.93Å; I108-V134 HydrophobicContact CG2-CG1 4.05Å; I112-V134 HydrophobicContact CD1-CB 4.49Å; I112-V134 HydrophobicContact CD1-CG1 4.05Å; I112-V134 HydrophobicContact CD1-CG2 3.67Å; I112-V134 HydrophobicContact CG1-CG1 3.95Å; I112-V134 HydrophobicContact CG1-CG2 3.87Å; A131-V134 PolarHBondContact O-N 2.81Å; A132-V134 VanDerWaalsContact C-N 3.34Å; V134-V142 HydrophobicContact CG1-CG1 3.4Å; V134-V142 VanDerWaalsContact CG1-CG1 3.4Å; V134-L144 HydrophobicContact CG2-CD2 4.27Å
135L97.3Very high94.7Very high45 Ų4528.9 Ų28.924%0.23615%0.145CC..EExtended strand (participates in β ladder)trans-101.4149.3-172.9-60.6-173000111.8T67 L86 V142 K143 A145T67-L135 HydrophobicContact CG2-CD1 4.26Å; L86-L135 HydrophobicContact CB-CB 3.97Å; L86-L135 HydrophobicContact CD1-CB 3.36Å; L86-L135 HydrophobicContact CD1-CD1 4.12Å; L86-L135 HydrophobicContact CD1-CG 4.38Å; L86-L135 HydrophobicContact CG-CB 4.32Å; L135-V142 CarbonylContact O-C 3.4Å; L135-V142 WeakPolarHBondContact O-CA 3.27Å; L135-K143 PolarHBondContact N-O 2.82Å; L135-K143 PolarHBondContact O-N 3.04Å; L135-A145 HydrophobicContact CD1-CB 3.48Å; L135-A145 VanDerWaalsContact CD1-CB 3.48Å; L135-A145 HydrophobicContact CG-CB 3.68Å
136L98.1Very high94.3Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-118.2138.3-179.2-64.794.4000112.8L86 G88 G89 A91 L94 D141 V142 L267 I271L86-L136 CarbonylContact C-O 3.32Å; L86-L136 WeakPolarHBondContact CB-O 3.45Å; G88-L136 WeakPolarHBondContact CA-O 3.49Å; G88-L136 PolarHBondContact N-O 2.97Å; G89-L136 PolarHBondContact O-N 3.42Å; A91-L136 HydrophobicContact CB-CD1 4.27Å; L94-L136 HydrophobicContact CD1-CD1 3.67Å; L94-L136 HydrophobicContact CD1-CD2 3.63Å; L94-L136 HydrophobicContact CD1-CG 4.22Å; L94-L136 HydrophobicContact CG-CD1 4.3Å; L136-D141 CarbonylContact C-O 3.49Å; L136-D141 WeakPolarHBondContact CA-O 3.31Å; L136-V142 HydrophobicContact CD2-CG2 3.88Å; L136-V142 HydrophobicContact CG-CG2 4.09Å; L136-L267 HydrophobicContact CD2-CB 4.24Å; L136-L267 HydrophobicContact CD2-CD1 3.81Å; L136-I271 HydrophobicContact CB-CD1 4.36Å; L136-I271 HydrophobicContact CD2-CD1 4.42Å
137S97Very high93.6Very high10 Ų1029.6 Ų29.67%0.0715%0.148CC..  trans-72.6165.316580.50000110.2Q139 G140 D141 I271S137-Q139 PolarHBondContact O-N 2.92Å; S137-Q139 PolarHBondContact OG-N 3.11Å; S137-G140 PolarHBondContact O-N 3.45Å; S137-G140 VanDerWaalsContact O-N 3.1Å; S137-G140 PolarHBondContact OG-N 3.43Å; S137-D141 PolarHBondContact N-O 2.64Å; S137-D141 VanDerWaalsContact OG-CB 3.28Å; S137-D141 WeakPolarHBondContact OG-CB 3.25Å; S137-D141 PolarHBondContact OG-N 2.99Å; S137-D141 PolarHBondContact OG-OD2 3.38Å; S137-I271 WeakPolarHBondContact O-CD1 3.27Å
138E95.4Very high92.4Very high93 Ų9326.3 Ų26.344%0.43514%0.14SC..THydrogen-bonded Turntrans-65.4-19.7174.5-59.5-166128.200113G140 K275E138-G140 VanDerWaalsContact C-N 3.33Å; E138-K275 IonicContact OE1-NZ 2.73Å; E138-K275 PolarHBondContact OE1-NZ 2.76Å
139Q95.9Very high90.6Very high121 Ų12124.9 Ų24.957%0.56513%0.133SC*.THydrogen-bonded Turntrans-88.9-2.2178.2-6471.13400112.4S137S137-Q139 PolarHBondContact O-N 2.92Å; S137-Q139 PolarHBondContact OG-N 3.11Å
140G96.6Very high88Confident0 Ų026.8 Ų26.80%015%0.149CC..  trans88.812.2179.800000114.6S137 E138 N264S137-G140 PolarHBondContact O-N 3.45Å; S137-G140 VanDerWaalsContact O-N 3.1Å; S137-G140 PolarHBondContact OG-N 3.43Å; E138-G140 VanDerWaalsContact C-N 3.33Å; G140-N264 WeakPolarHBondContact O-CB 3.42Å
141D97.7Very high85.2Confident71 Ų7126 Ų2638%0.3815%0.149SC..  trans-68.5135.3170.5-51.9-59.5000109.4L136 S137L136-D141 CarbonylContact C-O 3.49Å; L136-D141 WeakPolarHBondContact CA-O 3.31Å; S137-D141 PolarHBondContact N-O 2.64Å; S137-D141 VanDerWaalsContact OG-CB 3.28Å; S137-D141 WeakPolarHBondContact OG-CB 3.25Å; S137-D141 PolarHBondContact OG-N 2.99Å; S137-D141 PolarHBondContact OG-OD2 3.38Å
142V98.4Very high82.6Confident2 Ų230.4 Ų30.41%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-111.7131.5-176.9179.20000108.9E111 V134 L135 L136 L267E111-V142 HydrophobicContact CB-CB 3.57Å; E111-V142 HydrophobicContact CB-CG1 4.01Å; E111-V142 HydrophobicContact CB-CG2 4.23Å; E111-V142 HydrophobicContact CG-CB 3.99Å; E111-V142 HydrophobicContact CG-CG2 4.2Å; V134-V142 HydrophobicContact CG1-CG1 3.4Å; V134-V142 VanDerWaalsContact CG1-CG1 3.4Å; L135-V142 CarbonylContact O-C 3.4Å; L135-V142 WeakPolarHBondContact O-CA 3.27Å; L136-V142 HydrophobicContact CD2-CG2 3.88Å; L136-V142 HydrophobicContact CG-CG2 4.09Å; V142-L267 HydrophobicContact CG2-CD1 3.54Å
143K98Very high80Confident16 Ų1631.7 Ų31.77%0.0717%0.172CC..EExtended strand (participates in β ladder)trans-136.1147.5-177.9-51.5-162-176.7-166.80112P64 Y65 T67 E84 L86 L135P64-K143 WeakPolarHBondContact O-CD 3.41Å; P64-K143 WeakPolarHBondContact O-CE 3.49Å; P64-K143 WeakPolarHBondContact O-CG 3.28Å; Y65-K143 WeakPolarHBondContact O-CA 3.49Å; T67-K143 HydrophobicContact CG2-CB 4.45Å; E84-K143 IonicContact OE1-NZ 3.12Å; E84-K143 PolarHBondContact OE1-NZ 3.17Å; E84-K143 IonicContact OE2-NZ 3.25Å; E84-K143 PolarHBondContact OE2-NZ 2.95Å; L86-K143 HydrophobicContact CD1-CB 3.86Å; L86-K143 HydrophobicContact CD1-CD 4.12Å; L86-K143 HydrophobicContact CD1-CG 4.11Å; L86-K143 HydrophobicContact CD2-CD 4.16Å; L86-K143 HydrophobicContact CD2-CG 4.42Å; L135-K143 PolarHBondContact N-O 2.82Å; L135-K143 PolarHBondContact O-N 3.04Å
144L96.2Very high77.3Confident1 Ų136.3 Ų36.31%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-77.5137169.6-61179000110.3Y65 T67 I112 L116 L119 I129 V134Y65-L144 PolarHBondContact O-N 2.84Å; T67-L144 PolarHBondContact N-O 3.35Å; T67-L144 PolarHBondContact OG1-O 3.26Å; I112-L144 HydrophobicContact CB-CD2 4.49Å; I112-L144 HydrophobicContact CG1-CD2 4.26Å; I112-L144 HydrophobicContact CG2-CD2 4.11Å; L116-L144 HydrophobicContact CD2-CD1 4.1Å; L116-L144 HydrophobicContact CG-CD1 4.29Å; L119-L144 HydrophobicContact CD1-CD1 3.83Å; I129-L144 HydrophobicContact CD1-CD1 4.24Å; I129-L144 HydrophobicContact CD1-CD2 3.77Å; V134-L144 HydrophobicContact CG2-CD2 4.27Å
145A91.8Very high74.5Confident4 Ų442.8 Ų42.83%0.03324%0.235CC..  trans-131.3167.7178.300000111T67 H126 N133 L135T67-A145 HydrophobicContact CG2-CB 3.72Å; H126-A145 PolarHBondContact CE1-O 2.88Å; H126-A145 VanDerWaalsContact CE1-O 3.27Å; H126-A145 PolarHBondContact NE2-O 3.37Å; N133-A145 PolarHBondContact O-N 2.65Å; L135-A145 HydrophobicContact CD1-CB 3.48Å; L135-A145 VanDerWaalsContact CD1-CB 3.48Å; L135-A145 HydrophobicContact CG-CB 3.68Å
146D80.6Confident71.7Confident48 Ų4843 Ų4326%0.25724%0.238SC..SBendtrans49.582.2175.6-69.4-46.8000114K37 H126 G148K37-D146 IonicContact NZ-OD1 2.64Å; K37-D146 PolarHBondContact NZ-OD1 3.04Å; H126-D146 PolarHBondContact CE1-O 3.26Å; H126-D146 VanDerWaalsContact CE1-O 3.27Å; D146-G148 PolarHBondContact O-N 3.46Å
147F74.8Confident68.8Low8 Ų849.1 Ų49.14%0.03527%0.269CS..  trans-66.9120177-72.3-91000110.5E54 V57 L58 V66 L119 H126 V149E54-F147 HydrophobicContact CG-CB 4.31Å; V57-F147 HydrophobicContact CG1-CD1 3.81Å; V57-F147 HydrophobicContact CG1-CE1 4.15Å; V57-F147 HydrophobicContact CG1-CG 4.08Å; L58-F147 HydrophobicContact CB-CD2 4.39Å; L58-F147 HydrophobicContact CD1-CD2 3.72Å; L58-F147 HydrophobicContact CD1-CE2 3.37Å; V66-F147 HydrophobicContact CG1-CE2 3.62Å; V66-F147 HydrophobicContact CG1-CZ 3.46Å; V66-F147 VanDerWaalsContact CG1-CZ 3.46Å; V66-F147 HydrophobicContact CG2-CZ 4.29Å; L119-F147 HydrophobicContact CD1-CE1 3.65Å; L119-F147 HydrophobicContact CD1-CZ 4.22Å; L119-F147 HydrophobicContact CD2-CE1 3.56Å; L119-F147 HydrophobicContact CD2-CZ 3.9Å; L119-F147 HydrophobicContact CG-CE1 4.25Å; H126-F147 AromaticContact CD2-CE1 3.96Å; F147-V149 VanDerWaalsContact C-N 3.31Å; F147-V149 PolarHBondContact O-N 2.96Å
148G61.8Low66.1Low13 Ų1359.6 Ų59.613%0.13431%0.307CS..  trans-69.980.4-179.800000112.3H126 R127 D146 A150H126-G148 WeakPolarHBondContact O-CA 3.28Å; H126-G148 PolarHBondContact O-N 2.79Å; R127-G148 WeakPolarHBondContact CB-O 3.37Å; R127-G148 WeakPolarHBondContact CD-O 3.4Å; D146-G148 PolarHBondContact O-N 3.46Å; G148-A150 PolarHBondContact O-N 2.9Å
149V51.3Low63.5Low11 Ų1158.2 Ų58.27%0.06730%0.3CS..G310 helixtrans-66.9-23.4172.7-87.70000113.6F19 D50 Q53 E54 F147 G151 Q152F19-V149 HydrophobicContact CE2-CG2 4.28Å; F19-V149 HydrophobicContact CZ-CG2 4.31Å; D50-V149 HydrophobicContact CB-CB 4.18Å; D50-V149 HydrophobicContact CB-CG2 3.88Å; D50-V149 VanDerWaalsContact O-CG2 3.28Å; D50-V149 WeakPolarHBondContact O-CG2 3.17Å; Q53-V149 HydrophobicContact CB-CB 4.46Å; Q53-V149 HydrophobicContact CB-CG1 3.64Å; Q53-V149 HydrophobicContact CG-CG1 3.59Å; E54-V149 HydrophobicContact CB-CG1 3.93Å; E54-V149 HydrophobicContact CB-CG2 3.82Å; E54-V149 HydrophobicContact CG-CG2 4.43Å; E54-V149 VanDerWaalsContact N-CG1 3.33Å; F147-V149 VanDerWaalsContact C-N 3.31Å; F147-V149 PolarHBondContact O-N 2.96Å; V149-G151 PolarHBondContact O-N 3.24Å; V149-Q152 PolarHBondContact O-N 3.49Å
150A40.3Very low60.8Low42 Ų4259.1 Ų59.135%0.34730%0.298SS..G310 helixtrans-57.1-12.6178.700000114.8G148 Q152 V164G148-A150 PolarHBondContact O-N 2.9Å; A150-Q152 PolarHBondContact O-N 2.88Å; A150-V164 HydrophobicContact CB-CB 4.1Å; A150-V164 HydrophobicContact CB-CG1 3.53Å
151G37.6Very low58Low13 Ų1364.3 Ų64.313%0.13433%0.325CS..G310 helixtrans-80.5-1.7-177.600000116.6V149 L153 Y180V149-G151 PolarHBondContact O-N 3.24Å; G151-L153 PolarHBondContact O-N 3.24Å; G151-Y180 WeakPolarHBondContact O-CE1 3.37Å; G151-Y180 PolarHBondContact O-OH 3.13Å
152Q40.1Very low55.1Low93 Ų9365.4 Ų65.444%0.43534%0.335SS..  trans-73.575.2173.5-125.6178.77.800109.4V149 A150 T154 T156V149-Q152 PolarHBondContact O-N 3.49Å; A150-Q152 PolarHBondContact O-N 2.88Å; Q152-T154 PolarHBondContact O-N 2.96Å; Q152-T156 PolarHBondContact O-OG1 3.45Å
153L39.9Very low52.3Low62 Ų6270.9 Ų70.933%0.32536%0.358SS..THydrogen-bonded Turntrans-61.9-2.8175.5-102.3107.6000113.4G151 V174 Q177G151-L153 PolarHBondContact O-N 3.24Å; L153-V174 HydrophobicContact CD1-CG1 4.37Å; L153-Q177 HydrophobicContact CD2-CB 4.1Å; L153-Q177 HydrophobicContact CD2-CG 3.56Å
154T37.8Very low49.6Very low108 Ų10873.7 Ų73.766%0.66338%0.377SS*.THydrogen-bonded Turntrans-79.8-16.5-169.749.60000114.3Q152Q152-T154 PolarHBondContact O-N 2.96Å
155D38.5Very low47.5Very low138 Ų13875.4 Ų75.474%0.73840%0.395SS*.SBendtrans-123.38.9177.1-70.1-55.6000114.1I157D155-I157 PolarHBondContact O-N 2.71Å
156T38.7Very low46.2Very low48 Ų4878.2 Ų78.229%0.29441%0.411SS..THydrogen-bonded Turntrans-101.631.1-160.8-28.40000114.3Q152 R158 K159Q152-T156 PolarHBondContact O-OG1 3.45Å; T156-R158 PolarHBondContact O-N 3.33Å; T156-K159 HydrophobicContact CG2-CB 3.53Å; T156-K159 HydrophobicContact CG2-CD 4.07Å; T156-K159 HydrophobicContact CG2-CG 3.98Å
157I37.3Very low46.4Very low129 Ų12976 Ų7666%0.66240%0.399SS*.THydrogen-bonded Turntrans-65.7-21.3164.8-64.3-176.5000110.3D155D155-I157 PolarHBondContact O-N 2.71Å
158R40Very low47.3Very low230 Ų23076.6 Ų76.687%0.86840%0.402SS*.SBendtrans-96.4-19.5-176.5-67.3-178.3-174.7152.23.4116.5T156 R160T156-R158 PolarHBondContact O-N 3.33Å; R158-R160 VanDerWaalsContact C-N 3.25Å; R158-R160 PolarHBondContact O-N 3.4Å
159K39.4Very low48.9Very low64 Ų6477.2 Ų77.228%0.27840%0.401SS..SBendtrans-91.225.4172.4-54.8178.1166175.40112.9D46 D50 T156 I161D46-K159 WeakPolarHBondContact O-CE 3.07Å; D46-K159 PolarHBondContact O-NZ 3.39Å; D50-K159 IonicContact OD1-NZ 3.48Å; D50-K159 IonicContact OD2-NZ 3.48Å; D50-K159 PolarHBondContact OD2-NZ 3.1Å; T156-K159 HydrophobicContact CG2-CB 3.53Å; T156-K159 HydrophobicContact CG2-CD 4.07Å; T156-K159 HydrophobicContact CG2-CG 3.98Å; K159-I161 PolarHBondContact O-N 3.4Å
160R40.5Very low50.8Low140 Ų14078.7 Ų78.753%0.52841%0.407SS..THydrogen-bonded Turntrans-81.852.3-168.3-158.3-169.1-76.1-174.3-7112.5R158R158-R160 VanDerWaalsContact C-N 3.25Å; R158-R160 PolarHBondContact O-N 3.4Å
161I38.3Very low53.3Low109 Ų10976.8 Ų76.856%0.55939%0.391SS*.THydrogen-bonded Turntrans-149.4-28172.1-35.5166.5000112K159 I442K159-I161 PolarHBondContact O-N 3.4Å; I161-I442 HydrophobicContact CD1-CD1 3.53Å; I161-I442 HydrophobicContact CD1-CG1 3.45Å; I161-I442 VanDerWaalsContact CD1-CG1 3.45Å; I161-I442 HydrophobicContact CG1-CD1 4.37Å
162T36.7Very low55.9Low95 Ų9576.3 Ų76.358%0.58339%0.386SS*.SBendtrans-94.6102.9166.535.80000108.6V164T162-V164 VanDerWaalsContact C-N 3.3Å; T162-V164 WeakPolarHBondContact O-CG2 3.46Å; T162-V164 PolarHBondContact O-N 3.27Å
163F39.6Very low58.3Low116 Ų11672.7 Ų72.751%0.50937%0.369SS..  trans-7190.3174.8-164.1-93.1000108.4G165 P167 M170 L212F163-G165 VanDerWaalsContact CD1-O 3.25Å; F163-G165 WeakPolarHBondContact CD1-O 3.37Å; F163-G165 VanDerWaalsContact CE1-O 3.25Å; F163-G165 WeakPolarHBondContact CE1-O 3.43Å; F163-G165 PolarHBondContact O-N 3.15Å; F163-G165 VanDerWaalsContact O-N 3.15Å; F163-P167 HydrophobicContact CE1-CB 3.99Å; F163-P167 HydrophobicContact CE1-CG 4.25Å; F163-P167 HydrophobicContact CZ-CB 4.41Å; F163-M170 HydrophobicContact CE1-SD 4.43Å; F163-M170 HydrophobicContact CZ-SD 4.18Å; F163-L212 HydrophobicContact CD2-CD1 4.2Å; F163-L212 HydrophobicContact CE1-CD1 4.29Å; F163-L212 HydrophobicContact CE1-CD2 4.25Å; F163-L212 HydrophobicContact CE2-CD1 3.45Å; F163-L212 VanDerWaalsContact CE2-CD1 3.45Å; F163-L212 HydrophobicContact CE2-CD2 4.15Å; F163-L212 HydrophobicContact CE2-CG 4.4Å; F163-L212 HydrophobicContact CZ-CD1 3.54Å; F163-L212 HydrophobicContact CZ-CD2 3.49Å; F163-L212 VanDerWaalsContact CZ-CD2 3.49Å; F163-L212 HydrophobicContact CZ-CG 4.04Å
164V40.9Very low60.5Low76 Ų7670.6 Ų70.646%0.46136%0.359SS..  trans-75.9101.9-178.9-164.90000108.5A150 T162A150-V164 HydrophobicContact CB-CB 4.1Å; A150-V164 HydrophobicContact CB-CG1 3.53Å; T162-V164 VanDerWaalsContact C-N 3.3Å; T162-V164 WeakPolarHBondContact O-CG2 3.46Å; T162-V164 PolarHBondContact O-N 3.27Å
165G51.5Low62.8Low37 Ų3766.9 Ų66.938%0.38134%0.335SS..SBendtrans127.5140172.600000113.6F163 P167F163-G165 VanDerWaalsContact CD1-O 3.25Å; F163-G165 WeakPolarHBondContact CD1-O 3.37Å; F163-G165 VanDerWaalsContact CE1-O 3.25Å; F163-G165 WeakPolarHBondContact CE1-O 3.43Å; F163-G165 PolarHBondContact O-N 3.15Å; F163-G165 VanDerWaalsContact O-N 3.15Å; G165-P167 WeakPolarHBondContact O-CD 3.42Å
166T65.1Low64.8Low62 Ų6267 Ų6738%0.3833%0.328SS..  trans-79.8110.8175.2-37.40000108.5F168 W169T166-F168 HydrophobicContact CG2-CD2 3.2Å; T166-F168 HydrophobicContact CG2-CE2 3.17Å; T166-F168 HydrophobicContact CG2-CG 4.4Å; T166-F168 HydrophobicContact CG2-CZ 4.36Å; T166-F168 PolarHBondContact O-N 3.31Å; T166-W169 HydrophobicContact CG2-CZ3 3.79Å
167P84.9Confident66.3Low1 Ų171.4 Ų71.41%0.00635%0.346CS..G310 helixtrans-69.7-9.4-161.227.9-36.3000114.9F163 G165 W169 M170 P208 V211 L212 I215F163-P167 HydrophobicContact CE1-CB 3.99Å; F163-P167 HydrophobicContact CE1-CG 4.25Å; F163-P167 HydrophobicContact CZ-CB 4.41Å; G165-P167 WeakPolarHBondContact O-CD 3.42Å; P167-W169 PolarHBondContact O-N 2.73Å; P167-M170 HydrophobicContact CB-SD 3.97Å; P167-M170 WeakPolarHBondContact O-CB 3.18Å; P167-M170 PolarHBondContact O-N 2.73Å; P167-P208 HydrophobicContact CG-CB 3.67Å; P167-V211 HydrophobicContact CG-CB 4.33Å; P167-V211 HydrophobicContact CG-CG1 4.42Å; P167-L212 HydrophobicContact CB-CD2 3.6Å; P167-L212 HydrophobicContact CB-CG 4.18Å; P167-L212 HydrophobicContact CG-CD2 4.48Å; P167-I215 WeakPolarHBondContact O-CD1 3.44Å
168F93.2Very high67.5Low22 Ų2267.5 Ų67.510%0.09633%0.333CS..G310 helixtrans-61.1-29.6-172.6-47.2-66.7000113.2T166 P201 H203 L206 P208 V211T166-F168 HydrophobicContact CG2-CD2 3.2Å; T166-F168 HydrophobicContact CG2-CE2 3.17Å; T166-F168 HydrophobicContact CG2-CG 4.4Å; T166-F168 HydrophobicContact CG2-CZ 4.36Å; T166-F168 PolarHBondContact O-N 3.31Å; F168-P201 HydrophobicContact CB-CB 3.92Å; F168-P201 HydrophobicContact CB-CG 3.79Å; F168-P201 HydrophobicContact CD2-CG 4.24Å; F168-P201 HydrophobicContact CG-CG 4.17Å; F168-H203 HydrophobicContact CD1-CB 4.34Å; F168-H203 WeakPolarHBondContact CE1-O 3.45Å; F168-L206 WeakPolarHBondContact CE1-O 3.12Å; F168-P208 HydrophobicContact CZ-CG 4.3Å; F168-V211 HydrophobicContact CD1-CB 4.17Å; F168-V211 HydrophobicContact CD1-CG1 3.82Å; F168-V211 HydrophobicContact CD1-CG2 3.77Å; F168-V211 HydrophobicContact CE1-CB 4.18Å; F168-V211 HydrophobicContact CE1-CG1 4.33Å; F168-V211 HydrophobicContact CE1-CG2 3.49Å; F168-V211 VanDerWaalsContact CE1-CG2 3.49Å
169W94.8Very high68.6Low26 Ų2662.5 Ų62.510%0.09833%0.333CS..G310 helixtrans-93.3-6177.4-62.9-100.7000114I129 K130 T166 P167 S188 I191 E195 P201I129-W169 VanDerWaalsContact O-CD1 3.29Å; K130-W169 HydrophobicContact CB-CD2 3.86Å; K130-W169 HydrophobicContact CB-CE3 4.49Å; K130-W169 HydrophobicContact CB-CG 4.05Å; K130-W169 HydrophobicContact CB-CZ2 4.05Å; T166-W169 HydrophobicContact CG2-CZ3 3.79Å; P167-W169 PolarHBondContact O-N 2.73Å; W169-S188 WeakPolarHBondContact O-CA 3.46Å; W169-S188 WeakPolarHBondContact O-CB 3.33Å; W169-S188 PolarHBondContact O-OG 3.44Å; W169-I191 HydrophobicContact CB-CG2 4.4Å; W169-I191 VanDerWaalsContact CD1-CG2 3.46Å; W169-I191 HydrophobicContact CD2-CG2 4.42Å; W169-I191 HydrophobicContact CG-CB 4.34Å; W169-I191 HydrophobicContact CG-CG2 3.85Å; W169-E195 VanDerWaalsContact CZ2-CD 3.45Å; W169-E195 HydrophobicContact CZ2-CG 4.33Å; W169-E195 VanDerWaalsContact CZ2-OE1 3.32Å; W169-E195 WeakPolarHBondContact CZ2-OE1 3.38Å; W169-E195 PolarHBondContact NE1-OE2 3.39Å; W169-P201 HydrophobicContact CH2-CB 4.33Å; W169-P201 HydrophobicContact CH2-CG 3.62Å; W169-P201 HydrophobicContact CZ2-CB 3.84Å; W169-P201 HydrophobicContact CZ2-CG 3.56Å; W169-P201 HydrophobicContact CZ3-CG 4.23Å
170M91.5Very high70.2Confident42 Ų4261.6 Ų61.621%0.20733%0.328CS..  trans-71.3137.1-175-66.8177.174.200111.7F163 P167 V174 I175 W187 L212F163-M170 HydrophobicContact CE1-SD 4.43Å; F163-M170 HydrophobicContact CZ-SD 4.18Å; P167-M170 HydrophobicContact CB-SD 3.97Å; P167-M170 WeakPolarHBondContact O-CB 3.18Å; P167-M170 PolarHBondContact O-N 2.73Å; M170-V174 HydrophobicContact CE-CB 4.41Å; M170-V174 HydrophobicContact CE-CG1 3.61Å; M170-I175 HydrophobicContact CB-CD1 4.02Å; M170-I175 HydrophobicContact CB-CG1 3.84Å; M170-I175 HydrophobicContact CE-CG1 3.98Å; M170-I175 HydrophobicContact SD-CG1 4.3Å; M170-W187 PolarHBondContact O-NE1 3.23Å; M170-L212 HydrophobicContact SD-CD2 4.4Å
171A92.8Very high72Confident1 Ų158.2 Ų58.21%0.00832%0.32CS..  trans-70.9148.7173.500000111.5E173 V174 I175 A184 W187A171-E173 VanDerWaalsContact C-N 3.26Å; A171-E173 VanDerWaalsContact CB-CD 3.45Å; A171-E173 WeakPolarHBondContact CB-OE1 3.46Å; A171-E173 WeakPolarHBondContact CB-OE2 3.3Å; A171-E173 PolarHBondContact O-N 2.81Å; A171-V174 HydrophobicContact CB-CG2 3.97Å; A171-V174 WeakPolarHBondContact O-CB 3.35Å; A171-V174 PolarHBondContact O-N 2.86Å; A171-V174 VanDerWaalsContact O-N 3.08Å; A171-I175 PolarHBondContact O-N 3.38Å; A171-I175 VanDerWaalsContact O-N 3.14Å; A171-A184 HydrophobicContact CB-CB 4.25Å; A171-W187 HydrophobicContact CB-CB 3.69Å; A171-W187 HydrophobicContact CB-CD2 4.34Å; A171-W187 HydrophobicContact CB-CG 3.67Å
172P92.6Very high74.4Confident4 Ų454.2 Ų54.23%0.02630%0.304CS..Hα-helixtrans-59.7-33.9-176.924.1-34.9000113.3K176 W187 I215 K241P172-K176 WeakPolarHBondContact O-CB 3.48Å; P172-K176 VanDerWaalsContact O-CG 3.26Å; P172-K176 WeakPolarHBondContact O-CG 3.47Å; P172-K176 PolarHBondContact O-N 3.43Å; P172-W187 HydrophobicContact CG-CE3 4.37Å; P172-W187 HydrophobicContact CG-CH2 4.49Å; P172-W187 HydrophobicContact CG-CZ3 4.26Å; P172-I215 HydrophobicContact CB-CG2 4.21Å; P172-K241 HydrophobicContact CB-CD 4.19Å; P172-K241 HydrophobicContact CG-CD 3.81Å
173E90.3Very high77.2Confident17 Ų1751.1 Ų51.18%0.07928%0.282CS..Hα-helixtrans-70.2-33.6176.469.6-78.7-173.300112.8A171 K176 Q177 A178 P243 R246A171-E173 VanDerWaalsContact C-N 3.26Å; A171-E173 VanDerWaalsContact CB-CD 3.45Å; A171-E173 WeakPolarHBondContact CB-OE1 3.46Å; A171-E173 WeakPolarHBondContact CB-OE2 3.3Å; A171-E173 PolarHBondContact O-N 2.81Å; E173-K176 PolarHBondContact O-N 2.99Å; E173-Q177 PolarHBondContact O-N 3.22Å; E173-A178 HydrophobicContact CB-CB 4.25Å; E173-A178 PolarHBondContact O-N 3.27Å; E173-P243 HydrophobicContact CB-CG 4.26Å; E173-P243 HydrophobicContact CG-CG 3.86Å; E173-R246 IonicContact OE1-CZ 2.73Å; E173-R246 IonicContact OE1-NH1 2.76Å; E173-R246 PolarHBondContact OE1-NH1 2.98Å; E173-R246 IonicContact OE1-NH2 2.78Å; E173-R246 PolarHBondContact OE1-NH2 3.07Å; E173-R246 IonicContact OE2-CZ 3.07Å; E173-R246 IonicContact OE2-NH1 3.61Å; E173-R246 IonicContact OE2-NH2 3.67Å; E173-R246 PolarHBondContact OE2-NH2 3.11Å
174V87.2Confident79.8Confident18 Ų1845.8 Ų45.811%0.10926%0.26CS..Hα-helixtrans-66.2-43.7174.5-179.20000109.7L153 M170 A171 K176 Q177 Y180 A184L153-V174 HydrophobicContact CD1-CG1 4.37Å; M170-V174 HydrophobicContact CE-CB 4.41Å; M170-V174 HydrophobicContact CE-CG1 3.61Å; A171-V174 HydrophobicContact CB-CG2 3.97Å; A171-V174 WeakPolarHBondContact O-CB 3.35Å; A171-V174 PolarHBondContact O-N 2.86Å; A171-V174 VanDerWaalsContact O-N 3.08Å; V174-K176 PolarHBondContact O-N 2.88Å; V174-Q177 PolarHBondContact O-N 3.45Å; V174-Q177 VanDerWaalsContact O-N 3.14Å; V174-Y180 HydrophobicContact CG1-CD1 4.49Å; V174-Y180 HydrophobicContact CG2-CD1 4.05Å; V174-Y180 HydrophobicContact CG2-CD2 4.19Å; V174-Y180 HydrophobicContact CG2-CG 3.77Å; V174-A184 HydrophobicContact CG2-CB 3.75Å
175I85.2Confident82.4Confident30 Ų3042.1 Ų42.115%0.15424%0.238CC..Hα-helixtrans-64.7-39.6176.8-64.3170.6000111.5M170 A171 Q177 L212 I215 P216M170-I175 HydrophobicContact CB-CD1 4.02Å; M170-I175 HydrophobicContact CB-CG1 3.84Å; M170-I175 HydrophobicContact CE-CG1 3.98Å; M170-I175 HydrophobicContact SD-CG1 4.3Å; A171-I175 PolarHBondContact O-N 3.38Å; A171-I175 VanDerWaalsContact O-N 3.14Å; I175-Q177 PolarHBondContact O-N 3.07Å; I175-L212 HydrophobicContact CD1-CD2 4.24Å; I175-L212 HydrophobicContact CG1-CD2 4.11Å; I175-L212 HydrophobicContact CG2-CB 4.46Å; I175-L212 HydrophobicContact CG2-CD2 4.17Å; I175-L212 WeakPolarHBondContact CG2-O 3.36Å; I175-I215 HydrophobicContact CD1-CB 3.62Å; I175-I215 HydrophobicContact CD1-CD1 3.76Å; I175-I215 HydrophobicContact CD1-CG1 4.28Å; I175-I215 HydrophobicContact CD1-CG2 3.59Å; I175-P216 HydrophobicContact CB-CG 4.16Å; I175-P216 HydrophobicContact CD1-CG 4.48Å; I175-P216 HydrophobicContact CG2-CG 3.69Å
176K80.8Confident84.6Confident139 Ų13940.4 Ų40.460%0.60422%0.22SC*.THydrogen-bonded Turntrans-72.50.8177.1-71.7175.9-172.7-178.40113.5P172 E173 V174 A178 P216P172-K176 WeakPolarHBondContact O-CB 3.48Å; P172-K176 VanDerWaalsContact O-CG 3.26Å; P172-K176 WeakPolarHBondContact O-CG 3.47Å; P172-K176 PolarHBondContact O-N 3.43Å; E173-K176 PolarHBondContact O-N 2.99Å; V174-K176 PolarHBondContact O-N 2.88Å; K176-A178 PolarHBondContact O-N 2.93Å; K176-P216 HydrophobicContact CG-CB 4.47Å; K176-P216 HydrophobicContact CG-CG 4.5Å
177Q70Confident86.1Confident141 Ų14137.6 Ų37.666%0.65920%0.202SC*.THydrogen-bonded Turntrans5629-175.8-43.9-170-45.100112.8L153 E173 V174 I175L153-Q177 HydrophobicContact CD2-CB 4.1Å; L153-Q177 HydrophobicContact CD2-CG 3.56Å; E173-Q177 PolarHBondContact O-N 3.22Å; V174-Q177 PolarHBondContact O-N 3.45Å; V174-Q177 VanDerWaalsContact O-N 3.14Å; I175-Q177 PolarHBondContact O-N 3.07Å
178A61.8Low86.7Confident47 Ų4737.9 Ų37.939%0.38820%0.204SC..  trans-73.8156.6168.900000108.9E173 K176 Y180E173-A178 HydrophobicContact CB-CB 4.25Å; E173-A178 PolarHBondContact O-N 3.27Å; K176-A178 PolarHBondContact O-N 2.93Å; A178-Y180 PolarHBondContact O-N 3.43Å; A178-Y180 VanDerWaalsContact O-N 3.13Å
179S64.2Low87Confident125 Ų12536.8 Ų36.887%0.87420%0.199SC*.  trans-54.3122.4164.954.50000108.3
180Y71.5Confident87.1Confident46 Ų4635.6 Ų35.618%0.1820%0.195CC..  trans-115.6154.2177.869.6-93.2000109.5I125 R127 G151 V174 A178 A184I125-Y180 HydrophobicContact CD1-CD2 4.33Å; I125-Y180 HydrophobicContact CD1-CE2 4.13Å; I125-Y180 HydrophobicContact CG2-CE2 4.36Å; R127-Y180 WeakPolarHBondContact CD-OH 3.36Å; R127-Y180 HydrophobicContact CG-CE2 4.12Å; R127-Y180 PolarHBondContact NE-OH 2.99Å; G151-Y180 WeakPolarHBondContact O-CE1 3.37Å; G151-Y180 PolarHBondContact O-OH 3.13Å; V174-Y180 HydrophobicContact CG1-CD1 4.49Å; V174-Y180 HydrophobicContact CG2-CD1 4.05Å; V174-Y180 HydrophobicContact CG2-CD2 4.19Å; V174-Y180 HydrophobicContact CG2-CG 3.77Å; A178-Y180 PolarHBondContact O-N 3.43Å; A178-Y180 VanDerWaalsContact O-N 3.13Å; Y180-A184 HydrophobicContact CD2-CB 3.92Å; Y180-A184 HydrophobicContact CG-CB 4.48Å
181D79.4Confident87.5Confident68 Ų6833.7 Ų33.736%0.36419%0.186SC..  trans-124.6-164.4-178.970.7-6.6000110.2K183 A184D181-K183 PolarHBondContact O-N 2.56Å; D181-K183 WeakPolarHBondContact OD1-CB 3.43Å; D181-K183 WeakPolarHBondContact OD1-CG 3.47Å; D181-K183 PolarHBondContact OD1-N 3.43Å; D181-A184 WeakPolarHBondContact O-CB 3.45Å; D181-A184 PolarHBondContact O-N 3.01Å; D181-A184 VanDerWaalsContact O-N 3.11Å
182A89Confident87.7Confident26 Ų2633.7 Ų33.722%0.21519%0.185CC..THydrogen-bonded Turntrans-54.6-20.8175.900000114.5H120 A184 D185H120-A182 HydrophobicContact CB-CB 4.15Å; H120-A182 PolarHBondContact CE1-O 2.74Å; H120-A182 PolarHBondContact NE2-O 2.93Å; A182-A184 PolarHBondContact O-N 3.25Å; A182-D185 PolarHBondContact O-N 3.27Å
183K95Very high88Confident29 Ų2933.5 Ų33.513%0.12618%0.184CC..Hα-helixtrans-71.7-16.7178.8-56.4-64.8-16969.40112.8D181 D185 V186 W187 P243 R246D181-K183 PolarHBondContact O-N 2.56Å; D181-K183 WeakPolarHBondContact OD1-CB 3.43Å; D181-K183 WeakPolarHBondContact OD1-CG 3.47Å; D181-K183 PolarHBondContact OD1-N 3.43Å; K183-D185 VanDerWaalsContact C-N 3.32Å; K183-V186 WeakPolarHBondContact O-CB 3.28Å; K183-V186 PolarHBondContact O-N 3.48Å; K183-W187 PolarHBondContact O-N 3.43Å; K183-P243 HydrophobicContact CB-CB 4.02Å; K183-P243 HydrophobicContact CG-CB 4.49Å; K183-P243 PolarHBondContact NZ-O 3.22Å; K183-P243 VanDerWaalsContact NZ-O 3.11Å; K183-R246 HydrophobicContact CD-CB 4.27Å; K183-R246 WeakPolarHBondContact CE-O 3.16Å; K183-R246 PolarHBondContact NZ-O 3.27Å; K183-R246 PolarHBondContact O-NH1 3.47Å
184A93.6Very high88.4Confident4 Ų432.8 Ų32.83%0.03318%0.181CC..Hα-helixtrans-60.8-43.3170.800000111A171 V174 Y180 D181 A182 V186 W187 S188A171-A184 HydrophobicContact CB-CB 4.25Å; V174-A184 HydrophobicContact CG2-CB 3.75Å; Y180-A184 HydrophobicContact CD2-CB 3.92Å; Y180-A184 HydrophobicContact CG-CB 4.48Å; D181-A184 WeakPolarHBondContact O-CB 3.45Å; D181-A184 PolarHBondContact O-N 3.01Å; D181-A184 VanDerWaalsContact O-N 3.11Å; A182-A184 PolarHBondContact O-N 3.25Å; A184-V186 PolarHBondContact O-N 3.15Å; A184-W187 WeakPolarHBondContact O-CB 3.33Å; A184-W187 PolarHBondContact O-N 2.81Å; A184-W187 VanDerWaalsContact O-N 3.15Å; A184-S188 PolarHBondContact O-N 2.94Å; A184-S188 PolarHBondContact O-OG 3Å
185D95.3Very high88.9Confident0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-62.7-31.2176.4-68.6-24.8000112L116 H120 I125 H126 R127 I129 A182 K183 S188 L189L116-D185 HydrophobicContact CD1-CB 4.27Å; L116-D185 HydrophobicContact CD2-CB 3.85Å; H120-D185 IonicContact CD2-OD2 3.8Å; H120-D185 IonicContact CE1-OD2 3.2Å; H120-D185 IonicContact NE2-OD2 3.83Å; H120-D185 PolarHBondContact NE2-OD2 3.17Å; I125-D185 WeakPolarHBondContact CG2-OD2 3.48Å; H126-D185 PolarHBondContact N-OD1 2.96Å; H126-D185 PolarHBondContact N-OD2 3.14Å; R127-D185 WeakPolarHBondContact CA-OD1 3.37Å; R127-D185 PolarHBondContact N-OD1 2.83Å; I129-D185 HydrophobicContact CG1-CB 4.32Å; A182-D185 PolarHBondContact O-N 3.27Å; K183-D185 VanDerWaalsContact C-N 3.32Å; D185-S188 PolarHBondContact O-N 3.19Å; D185-L189 WeakPolarHBondContact O-CB 3.45Å; D185-L189 PolarHBondContact O-N 2.79Å
186V98Very high89.5Confident1 Ų130.8 Ų30.81%0.00617%0.17CC..Hα-helixtrans-67.9-38.8177178.10000111.2K183 A184 L189 G190 C238 R246 L252K183-V186 WeakPolarHBondContact O-CB 3.28Å; K183-V186 PolarHBondContact O-N 3.48Å; A184-V186 PolarHBondContact O-N 3.15Å; V186-L189 PolarHBondContact O-N 2.9Å; V186-G190 PolarHBondContact O-N 2.79Å; V186-G190 VanDerWaalsContact O-N 3.07Å; V186-C238 HydrophobicContact CG1-CB 4.21Å; V186-R246 HydrophobicContact CG1-CB 4.18Å; V186-L252 HydrophobicContact CG1-CD1 3.79Å
187W97.8Very high90.3Very high2 Ų224.3 Ų24.31%0.00814%0.142CC..Hα-helixtrans-63-49.6171.6173.7-79000110.7M170 A171 P172 K183 A184 L189 G190 I191 I215 P220 L239 K241M170-W187 PolarHBondContact O-NE1 3.23Å; A171-W187 HydrophobicContact CB-CB 3.69Å; A171-W187 HydrophobicContact CB-CD2 4.34Å; A171-W187 HydrophobicContact CB-CG 3.67Å; P172-W187 HydrophobicContact CG-CE3 4.37Å; P172-W187 HydrophobicContact CG-CH2 4.49Å; P172-W187 HydrophobicContact CG-CZ3 4.26Å; K183-W187 PolarHBondContact O-N 3.43Å; A184-W187 WeakPolarHBondContact O-CB 3.33Å; A184-W187 PolarHBondContact O-N 2.81Å; A184-W187 VanDerWaalsContact O-N 3.15Å; W187-L189 VanDerWaalsContact C-N 3.27Å; W187-L189 PolarHBondContact O-N 2.9Å; W187-G190 WeakPolarHBondContact O-CA 3.25Å; W187-G190 PolarHBondContact O-N 2.95Å; W187-I191 PolarHBondContact O-N 2.87Å; W187-I215 HydrophobicContact CZ2-CG2 4.15Å; W187-P220 HydrophobicContact CH2-CB 4.19Å; W187-P220 HydrophobicContact CZ3-CB 4.39Å; W187-L239 HydrophobicContact CD2-CD2 3.87Å; W187-L239 HydrophobicContact CE3-CD2 4.04Å; W187-L239 HydrophobicContact CG-CD2 4.24Å; W187-L239 HydrophobicContact CH2-CD2 4.47Å; W187-L239 HydrophobicContact CZ2-CD2 4.38Å; W187-L239 HydrophobicContact CZ3-CB 4.28Å; W187-L239 HydrophobicContact CZ3-CD2 4.34Å; W187-L239 WeakPolarHBondContact O-CD2 3.47Å; W187-K241 HydrophobicContact CH2-CD 4.03Å; W187-K241 HydrophobicContact CZ3-CD 4.07Å
188S96.9Very high91.6Very high7 Ų721.1 Ų21.15%0.04913%0.126CC..Hα-helixtrans-58.2-40.6179-57.80000111.5W169 A184 D185 G190 I191 T192W169-S188 WeakPolarHBondContact O-CA 3.46Å; W169-S188 WeakPolarHBondContact O-CB 3.33Å; W169-S188 PolarHBondContact O-OG 3.44Å; A184-S188 PolarHBondContact O-N 2.94Å; A184-S188 PolarHBondContact O-OG 3Å; D185-S188 PolarHBondContact O-N 3.19Å; S188-G190 VanDerWaalsContact C-N 3.34Å; S188-G190 PolarHBondContact O-N 3.48Å; S188-I191 WeakPolarHBondContact O-CB 3.28Å; S188-I191 PolarHBondContact O-N 3.47Å; S188-I191 VanDerWaalsContact O-N 3.12Å; S188-T192 PolarHBondContact O-N 2.93Å; S188-T192 PolarHBondContact O-OG1 3.49Å
189L98.4Very high93.2Very high0 Ų020.6 Ų20.60%013%0.125CC..Hα-helixtrans-58.3-42171.2174.162.8000112.7I109 I112 L113 L116 I129 D185 V186 W187 I191 T192 A193 F234 L252I109-L189 HydrophobicContact CG1-CD1 4.46Å; I109-L189 HydrophobicContact CG2-CD1 4.5Å; I112-L189 HydrophobicContact CB-CD1 4.3Å; I112-L189 HydrophobicContact CD1-CD1 4.29Å; I112-L189 HydrophobicContact CG2-CD1 3.68Å; L113-L189 HydrophobicContact CD2-CD2 3.38Å; L113-L189 HydrophobicContact CG-CD2 3.81Å; L116-L189 HydrophobicContact CD1-CB 4.41Å; L116-L189 HydrophobicContact CD1-CD2 4.22Å; I129-L189 HydrophobicContact CG2-CB 4.45Å; D185-L189 WeakPolarHBondContact O-CB 3.45Å; D185-L189 PolarHBondContact O-N 2.79Å; V186-L189 PolarHBondContact O-N 2.9Å; W187-L189 VanDerWaalsContact C-N 3.27Å; W187-L189 PolarHBondContact O-N 2.9Å; L189-I191 VanDerWaalsContact C-N 3.29Å; L189-I191 PolarHBondContact O-N 3.46Å; L189-T192 PolarHBondContact O-N 3.23Å; L189-A193 WeakPolarHBondContact O-CB 3.28Å; L189-A193 PolarHBondContact O-N 3.38Å; L189-F234 HydrophobicContact CD2-CZ 4.19Å; L189-L252 HydrophobicContact CD2-CD1 4.39Å
190G98.6Very high94.6Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-61.5-38.1175.200000112.6V186 W187 S188 A193 I194V186-G190 PolarHBondContact O-N 2.79Å; V186-G190 VanDerWaalsContact O-N 3.07Å; W187-G190 WeakPolarHBondContact O-CA 3.25Å; W187-G190 PolarHBondContact O-N 2.95Å; S188-G190 VanDerWaalsContact C-N 3.34Å; S188-G190 PolarHBondContact O-N 3.48Å; G190-A193 PolarHBondContact O-N 3.33Å; G190-I194 PolarHBondContact O-N 3.36Å
191I98.4Very high95.8Very high3 Ų318.4 Ų18.42%0.01510%0.104CC..Hα-helixtrans-69-44.9173.4-59.4-59.3000110.9W169 W187 S188 L189 A193 I194 E195 P201 P202 P221 L239W169-I191 HydrophobicContact CB-CG2 4.4Å; W169-I191 VanDerWaalsContact CD1-CG2 3.46Å; W169-I191 HydrophobicContact CD2-CG2 4.42Å; W169-I191 HydrophobicContact CG-CB 4.34Å; W169-I191 HydrophobicContact CG-CG2 3.85Å; W187-I191 PolarHBondContact O-N 2.87Å; S188-I191 WeakPolarHBondContact O-CB 3.28Å; S188-I191 PolarHBondContact O-N 3.47Å; S188-I191 VanDerWaalsContact O-N 3.12Å; L189-I191 VanDerWaalsContact C-N 3.29Å; L189-I191 PolarHBondContact O-N 3.46Å; I191-A193 PolarHBondContact O-N 3.33Å; I191-I194 WeakPolarHBondContact O-CB 3.36Å; I191-I194 PolarHBondContact O-N 3.2Å; I191-E195 PolarHBondContact O-N 3.42Å; I191-P201 HydrophobicContact CG2-CB 3.74Å; I191-P202 HydrophobicContact CD1-CG 4.18Å; I191-P221 HydrophobicContact CD1-CG 4.21Å; I191-L239 HydrophobicContact CD1-CD1 4.12Å; I191-L239 HydrophobicContact CD1-CD2 3.77Å; I191-L239 HydrophobicContact CG1-CD2 4.02Å
192T98.3Very high96.5Very high0 Ų016.4 Ų16.40%010%0.095CC..Hα-helixtrans-58.9-34.7174.3-53.40000111.9I129 K130 A131 S188 L189 E195 L196I129-T192 PolarHBondContact O-OG1 2.9Å; K130-T192 WeakPolarHBondContact CA-OG1 3.12Å; A131-T192 HydrophobicContact CB-CG2 4.42Å; S188-T192 PolarHBondContact O-N 2.93Å; S188-T192 PolarHBondContact O-OG1 3.49Å; L189-T192 PolarHBondContact O-N 3.23Å; T192-E195 WeakPolarHBondContact O-CB 3.4Å; T192-E195 PolarHBondContact O-N 3Å; T192-L196 HydrophobicContact CG2-CD1 4.19Å; T192-L196 HydrophobicContact CG2-CG 4.3Å; T192-L196 WeakPolarHBondContact O-CB 3.17Å; T192-L196 VanDerWaalsContact O-CG 3.23Å; T192-L196 WeakPolarHBondContact O-CG 3.32Å; T192-L196 PolarHBondContact O-N 2.9Å
193A98.7Very high96.7Very high0 Ų017.7 Ų17.70%010%0.096CC..Hα-helixtrans-65.7-37.3174.900000112.4I109 L189 G190 I191 A197 F231 F234 I235I109-A193 HydrophobicContact CD1-CB 3.55Å; L189-A193 WeakPolarHBondContact O-CB 3.28Å; L189-A193 PolarHBondContact O-N 3.38Å; G190-A193 PolarHBondContact O-N 3.33Å; I191-A193 PolarHBondContact O-N 3.33Å; A193-A197 PolarHBondContact O-N 3.23Å; A193-F231 HydrophobicContact CB-CE2 4.22Å; A193-F234 HydrophobicContact CB-CE1 4.41Å; A193-I235 HydrophobicContact CB-CD1 4.08Å; A193-I235 HydrophobicContact CB-CG1 3.82Å
194I98.3Very high96.5Very high2 Ų218 Ų181%0.0110%0.104CC..Hα-helixtrans-68.5-44.3172.3-65.6173.8000110.5G190 I191 A197 K198 P202 P221 I235 L239G190-I194 PolarHBondContact O-N 3.36Å; I191-I194 WeakPolarHBondContact O-CB 3.36Å; I191-I194 PolarHBondContact O-N 3.2Å; I194-A197 PolarHBondContact O-N 3.37Å; I194-A197 VanDerWaalsContact O-N 3.13Å; I194-K198 HydrophobicContact CG2-CD 3.93Å; I194-K198 HydrophobicContact CG2-CG 4.35Å; I194-K198 WeakPolarHBondContact O-CB 3.33Å; I194-K198 PolarHBondContact O-N 2.96Å; I194-P202 HydrophobicContact CD1-CG 3.91Å; I194-P202 HydrophobicContact CG2-CG 4.05Å; I194-P221 HydrophobicContact CD1-CB 3.95Å; I194-I235 HydrophobicContact CD1-CG2 3.94Å; I194-I235 HydrophobicContact CG1-CD1 3.95Å; I194-I235 HydrophobicContact CG1-CG2 3.93Å; I194-L239 HydrophobicContact CD1-CD1 3.7Å
195E98.1Very high96.3Very high6 Ų624.2 Ų24.23%0.02814%0.137CC..Hα-helixtrans-54.9-51.4176.4179.4-168.5-169.200110.9M95 A131 W169 I191 T192 A197 K198 G199 E200M95-E195 HydrophobicContact CE-CG 4.16Å; M95-E195 VanDerWaalsContact SD-O 3.42Å; A131-E195 HydrophobicContact CB-CG 4.21Å; A131-E195 VanDerWaalsContact CB-OE1 3.24Å; A131-E195 WeakPolarHBondContact CB-OE1 3.37Å; A131-E195 WeakPolarHBondContact CB-OE2 3.42Å; A131-E195 PolarHBondContact N-OE1 2.76Å; A131-E195 PolarHBondContact N-OE2 2.84Å; W169-E195 VanDerWaalsContact CZ2-CD 3.45Å; W169-E195 HydrophobicContact CZ2-CG 4.33Å; W169-E195 VanDerWaalsContact CZ2-OE1 3.32Å; W169-E195 WeakPolarHBondContact CZ2-OE1 3.38Å; W169-E195 PolarHBondContact NE1-OE2 3.39Å; I191-E195 PolarHBondContact O-N 3.42Å; T192-E195 WeakPolarHBondContact O-CB 3.4Å; T192-E195 PolarHBondContact O-N 3Å; E195-A197 PolarHBondContact O-N 3.29Å; E195-K198 PolarHBondContact O-N 3.37Å; E195-G199 CarbonylContact O-C 3.57Å; E195-G199 VanDerWaalsContact O-CA 3.29Å; E195-G199 WeakPolarHBondContact O-CA 3.43Å; E195-G199 PolarHBondContact O-N 3.35Å; E195-E200 WeakPolarHBondContact CA-O 3.46Å
196L98.2Very high96Very high1 Ų125.8 Ų25.81%0.00515%0.145CC..Hα-helixtrans-60.3-29.7177.5-70171.7000113.7A91 M95 L100 I105 I108 I109 A131 T192A91-L196 HydrophobicContact CB-CD2 3.87Å; M95-L196 HydrophobicContact CE-CD2 4.38Å; M95-L196 VanDerWaalsContact SD-CA 3.58Å; M95-L196 HydrophobicContact SD-CD2 4.26Å; L100-L196 HydrophobicContact CD1-CD2 4.06Å; I105-L196 HydrophobicContact CD1-CB 4.43Å; I105-L196 HydrophobicContact CG1-CB 4.17Å; I105-L196 HydrophobicContact CG2-CB 4.11Å; I105-L196 HydrophobicContact CG2-CD1 4.29Å; I108-L196 HydrophobicContact CB-CD1 4.45Å; I108-L196 HydrophobicContact CG2-CD1 3.86Å; I109-L196 HydrophobicContact CG1-CD1 4.34Å; A131-L196 HydrophobicContact CB-CD2 4.07Å; T192-L196 HydrophobicContact CG2-CD1 4.19Å; T192-L196 HydrophobicContact CG2-CG 4.3Å; T192-L196 WeakPolarHBondContact O-CB 3.17Å; T192-L196 VanDerWaalsContact O-CG 3.23Å; T192-L196 WeakPolarHBondContact O-CG 3.32Å; T192-L196 PolarHBondContact O-N 2.9Å
197A97.8Very high95.3Very high2 Ų231.1 Ų31.12%0.01717%0.17CC..Hα-helixtrans-82.5-39.1179.300000112.8I105 A193 I194 E195 L223 Y227 F231I105-A197 HydrophobicContact CD1-CB 4.11Å; A193-A197 PolarHBondContact O-N 3.23Å; I194-A197 PolarHBondContact O-N 3.37Å; I194-A197 VanDerWaalsContact O-N 3.13Å; E195-A197 PolarHBondContact O-N 3.29Å; A197-L223 HydrophobicContact CB-CD1 3.86Å; A197-Y227 HydrophobicContact CB-CE1 3.98Å; A197-Y227 PolarHBondContact O-OH 2.78Å; A197-Y227 VanDerWaalsContact O-OH 3.06Å; A197-F231 HydrophobicContact CB-CE1 3.82Å; A197-F231 HydrophobicContact CB-CZ 4.01Å
198K96.1Very high94.6Very high74 Ų7433.3 Ų33.332%0.32218%0.184SC..Hα-helixtrans-102.4-21-171.1-69.4-171.1174.3179.10114.2I194 E195 L223I194-K198 HydrophobicContact CG2-CD 3.93Å; I194-K198 HydrophobicContact CG2-CG 4.35Å; I194-K198 WeakPolarHBondContact O-CB 3.33Å; I194-K198 PolarHBondContact O-N 2.96Å; E195-K198 PolarHBondContact O-N 3.37Å; K198-L223 HydrophobicContact CG-CD1 4.46Å
199G95.1Very high93.8Very high37 Ų3739.3 Ų39.338%0.38121%0.213SC..SBendtrans98.8-18.3-171.400000113.6E195E195-G199 CarbonylContact O-C 3.57Å; E195-G199 VanDerWaalsContact O-CA 3.29Å; E195-G199 WeakPolarHBondContact O-CA 3.43Å; E195-G199 PolarHBondContact O-N 3.35Å
200E94.6Very high93.3Very high113 Ų11346.4 Ų46.453%0.52824%0.24SC..SBendtrans-148.4151.4-173.665.4-172.3175.600111.2E195 A204E195-E200 WeakPolarHBondContact CA-O 3.46Å; E200-A204 HydrophobicContact CB-CB 3.96Å; E200-A204 HydrophobicContact CG-CB 4.3Å
201P95.9Very high92.8Very high12 Ų1246.4 Ų46.48%0.07824%0.24CC..  trans-70.7162.4174.633.7-39.2000111.4F168 W169 I191 H203 A204F168-P201 HydrophobicContact CB-CB 3.92Å; F168-P201 HydrophobicContact CB-CG 3.79Å; F168-P201 HydrophobicContact CD2-CG 4.24Å; F168-P201 HydrophobicContact CG-CG 4.17Å; W169-P201 HydrophobicContact CH2-CB 4.33Å; W169-P201 HydrophobicContact CH2-CG 3.62Å; W169-P201 HydrophobicContact CZ2-CB 3.84Å; W169-P201 HydrophobicContact CZ2-CG 3.56Å; W169-P201 HydrophobicContact CZ3-CG 4.23Å; I191-P201 HydrophobicContact CG2-CB 3.74Å; P201-H203 PolarHBondContact O-N 3.06Å; P201-A204 HydrophobicContact CG-CB 4.09Å; P201-A204 WeakPolarHBondContact O-CB 3.15Å; P201-A204 PolarHBondContact O-N 3.39Å
202P95.5Very high92.2Very high26 Ų2648.1 Ų48.117%0.16925%0.249CC..THydrogen-bonded Turntrans-55.3138.9169.2-21.533.9000111.3I191 I194 A204 P221I191-P202 HydrophobicContact CD1-CG 4.18Å; I194-P202 HydrophobicContact CD1-CG 3.91Å; I194-P202 HydrophobicContact CG2-CG 4.05Å; P202-A204 VanDerWaalsContact C-N 3.28Å; P202-A204 PolarHBondContact O-N 3.3Å; P202-P221 HydrophobicContact CB-CB 3.99Å; P202-P221 HydrophobicContact CB-CG 3.93Å; P202-P221 HydrophobicContact CG-CB 3.63Å; P202-P221 HydrophobicContact CG-CG 3.85Å
203H92.6Very high91.6Very high53 Ų5353.8 Ų53.825%0.24527%0.274CS..THydrogen-bonded Turntrans68.217.3178.7-50.1-52.8000115.5F168 P201 D205 L206 V211F168-H203 HydrophobicContact CD1-CB 4.34Å; F168-H203 WeakPolarHBondContact CE1-O 3.45Å; P201-H203 PolarHBondContact O-N 3.06Å; H203-D205 PolarHBondContact O-N 3.27Å; H203-D205 VanDerWaalsContact O-N 3.15Å; H203-L206 HydrophobicContact CB-CB 4.32Å; H203-L206 HydrophobicContact CB-CD1 3.96Å; H203-L206 HydrophobicContact CB-CG 4.21Å; H203-L206 WeakPolarHBondContact O-CB 3.5Å; H203-L206 PolarHBondContact O-N 3.01Å; H203-V211 HydrophobicContact CB-CG1 4.48Å; H203-V211 HydrophobicContact CB-CG2 3.68Å
204A90.7Very high91.2Very high36 Ų3654.9 Ų54.930%0.29828%0.28SS..THydrogen-bonded Turntrans-55.6-28.1175.700000113.4E200 P201 P202 L206E200-A204 HydrophobicContact CB-CB 3.96Å; E200-A204 HydrophobicContact CG-CB 4.3Å; P201-A204 HydrophobicContact CG-CB 4.09Å; P201-A204 WeakPolarHBondContact O-CB 3.15Å; P201-A204 PolarHBondContact O-N 3.39Å; P202-A204 VanDerWaalsContact C-N 3.28Å; P202-A204 PolarHBondContact O-N 3.3Å; A204-L206 VanDerWaalsContact C-N 3.28Å; A204-L206 PolarHBondContact O-N 3.44Å
205D89.4Confident90.9Very high133 Ų13355.3 Ų55.371%0.71128%0.282SS*.THydrogen-bonded Turntrans-77.8-7.4176.764.9-50.5000114.2H203H203-D205 PolarHBondContact O-N 3.27Å; H203-D205 VanDerWaalsContact O-N 3.15Å
206L88.7Confident90.6Very high33 Ų3356.7 Ų56.717%0.17329%0.291CS..SBendtrans-103.5144.3-176.9-58.3-174.2000111.6F168 H203 A204 V211 L214F168-L206 WeakPolarHBondContact CE1-O 3.12Å; H203-L206 HydrophobicContact CB-CB 4.32Å; H203-L206 HydrophobicContact CB-CD1 3.96Å; H203-L206 HydrophobicContact CB-CG 4.21Å; H203-L206 WeakPolarHBondContact O-CB 3.5Å; H203-L206 PolarHBondContact O-N 3.01Å; A204-L206 VanDerWaalsContact C-N 3.28Å; A204-L206 PolarHBondContact O-N 3.44Å; L206-V211 HydrophobicContact CB-CG2 3.83Å; L206-L214 HydrophobicContact CD1-CD1 3.42Å; L206-L214 VanDerWaalsContact CD1-CD1 3.42Å
207H83.1Confident90.3Very high113 Ų11363.4 Ų63.452%0.52332%0.32SS..  trans-54.4132.9173.6-171.2-74.4000111.4M209 R210 V211H207-M209 VanDerWaalsContact C-N 3.32Å; H207-M209 WeakPolarHBondContact CE1-CE 3.39Å; H207-M209 PolarHBondContact ND1-N 3.44Å; H207-M209 VanDerWaalsContact ND1-N 3.18Å; H207-M209 PolarHBondContact O-N 3.06Å; H207-M209 VanDerWaalsContact O-N 3.14Å; H207-R210 WeakPolarHBondContact O-CA 3.18Å; H207-R210 VanDerWaalsContact O-CB 3.31Å; H207-R210 WeakPolarHBondContact O-CB 3.5Å; H207-R210 PolarHBondContact O-N 3.03Å; H207-V211 PolarHBondContact O-N 3.45Å
208P83.1Confident90.1Very high49 Ų4966.1 Ų66.132%0.31833%0.334SS..Hα-helixtrans-47.5-46-177-34.437.6000114.8P167 F168 R210 V211 L212P167-P208 HydrophobicContact CG-CB 3.67Å; F168-P208 HydrophobicContact CZ-CG 4.3Å; P208-R210 VanDerWaalsContact C-N 3.29Å; P208-R210 PolarHBondContact O-N 3.3Å; P208-V211 WeakPolarHBondContact O-CB 3.43Å; P208-V211 PolarHBondContact O-N 2.84Å; P208-L212 PolarHBondContact O-N 3.23Å
209M80.6Confident90.1Very high132 Ų13267.7 Ų67.765%0.6535%0.352SS*.Hα-helixtrans-57-37176-70.3-168.6-78.800114H207 V211 L212H207-M209 VanDerWaalsContact C-N 3.32Å; H207-M209 WeakPolarHBondContact CE1-CE 3.39Å; H207-M209 PolarHBondContact ND1-N 3.44Å; H207-M209 VanDerWaalsContact ND1-N 3.18Å; H207-M209 PolarHBondContact O-N 3.06Å; H207-M209 VanDerWaalsContact O-N 3.14Å; M209-V211 VanDerWaalsContact C-N 3.32Å; M209-L212 PolarHBondContact O-N 2.97Å
210R86.8Confident90.2Very high149 Ų14968 Ų6856%0.56235%0.347SS*.Hα-helixtrans-67.7-37.5177.4-176.3175.8179172-1.3110.6H207 P208 L212 F213 L214H207-R210 WeakPolarHBondContact O-CA 3.18Å; H207-R210 VanDerWaalsContact O-CB 3.31Å; H207-R210 WeakPolarHBondContact O-CB 3.5Å; H207-R210 PolarHBondContact O-N 3.03Å; P208-R210 VanDerWaalsContact C-N 3.29Å; P208-R210 PolarHBondContact O-N 3.3Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 3.17Å; R210-F213 WeakPolarHBondContact O-CB 3.46Å; R210-F213 PolarHBondContact O-N 2.82Å; R210-F213 VanDerWaalsContact O-N 3.14Å; R210-L214 HydrophobicContact CG-CD1 4.04Å; R210-L214 HydrophobicContact CG-CG 4.33Å; R210-L214 WeakPolarHBondContact O-CG 3.47Å; R210-L214 PolarHBondContact O-N 3.08Å; R210-L214 VanDerWaalsContact O-N 3.13Å
211V88Confident90.3Very high0 Ų064 Ų640%033%0.331CS..Hα-helixtrans-65-35.7-179.8176.10000112.1P167 F168 H203 L206 H207 P208 M209 F213 L214 I215P167-V211 HydrophobicContact CG-CB 4.33Å; P167-V211 HydrophobicContact CG-CG1 4.42Å; F168-V211 HydrophobicContact CD1-CB 4.17Å; F168-V211 HydrophobicContact CD1-CG1 3.82Å; F168-V211 HydrophobicContact CD1-CG2 3.77Å; F168-V211 HydrophobicContact CE1-CB 4.18Å; F168-V211 HydrophobicContact CE1-CG1 4.33Å; F168-V211 HydrophobicContact CE1-CG2 3.49Å; F168-V211 VanDerWaalsContact CE1-CG2 3.49Å; H203-V211 HydrophobicContact CB-CG1 4.48Å; H203-V211 HydrophobicContact CB-CG2 3.68Å; L206-V211 HydrophobicContact CB-CG2 3.83Å; H207-V211 PolarHBondContact O-N 3.45Å; P208-V211 WeakPolarHBondContact O-CB 3.43Å; P208-V211 PolarHBondContact O-N 2.84Å; M209-V211 VanDerWaalsContact C-N 3.32Å; V211-F213 PolarHBondContact O-N 3.48Å; V211-F213 VanDerWaalsContact O-N 3.16Å; V211-L214 PolarHBondContact O-N 2.79Å; V211-I215 HydrophobicContact CG1-CD1 3.42Å; V211-I215 VanDerWaalsContact CG1-CD1 3.42Å; V211-I215 HydrophobicContact CG1-CG1 3.74Å; V211-I215 PolarHBondContact O-N 3.37Å
212L86.1Confident90.4Very high40 Ų4069.6 Ų69.621%0.20936%0.356CS..Hα-helixtrans-57.6-29.4173.5-64.4173.7000113.6F163 P167 M170 I175 P208 M209 R210 P216F163-L212 HydrophobicContact CD2-CD1 4.2Å; F163-L212 HydrophobicContact CE1-CD1 4.29Å; F163-L212 HydrophobicContact CE1-CD2 4.25Å; F163-L212 HydrophobicContact CE2-CD1 3.45Å; F163-L212 VanDerWaalsContact CE2-CD1 3.45Å; F163-L212 HydrophobicContact CE2-CD2 4.15Å; F163-L212 HydrophobicContact CE2-CG 4.4Å; F163-L212 HydrophobicContact CZ-CD1 3.54Å; F163-L212 HydrophobicContact CZ-CD2 3.49Å; F163-L212 VanDerWaalsContact CZ-CD2 3.49Å; F163-L212 HydrophobicContact CZ-CG 4.04Å; P167-L212 HydrophobicContact CB-CD2 3.6Å; P167-L212 HydrophobicContact CB-CG 4.18Å; P167-L212 HydrophobicContact CG-CD2 4.48Å; M170-L212 HydrophobicContact SD-CD2 4.4Å; I175-L212 HydrophobicContact CD1-CD2 4.24Å; I175-L212 HydrophobicContact CG1-CD2 4.11Å; I175-L212 HydrophobicContact CG2-CB 4.46Å; I175-L212 HydrophobicContact CG2-CD2 4.17Å; I175-L212 WeakPolarHBondContact CG2-O 3.36Å; P208-L212 PolarHBondContact O-N 3.23Å; M209-L212 PolarHBondContact O-N 2.97Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 3.17Å; L212-P216 WeakPolarHBondContact O-CD 3.38Å; L212-P216 WeakPolarHBondContact O-CG 3.41Å
213F85.6Confident90.4Very high118 Ų11868.7 Ų68.752%0.51835%0.35SS..Hα-helixtrans-83.6-38.5174.3-178.2-102000112.3R210 V211 K217R210-F213 WeakPolarHBondContact O-CB 3.46Å; R210-F213 PolarHBondContact O-N 2.82Å; R210-F213 VanDerWaalsContact O-N 3.14Å; V211-F213 PolarHBondContact O-N 3.48Å; V211-F213 VanDerWaalsContact O-N 3.16Å; F213-K217 HydrophobicContact CD1-CD 4.18Å; F213-K217 HydrophobicContact CE1-CD 3.38Å; F213-K217 HydrophobicContact CZ-CD 3.61Å; F213-K217 VanDerWaalsContact O-CB 3.27Å; F213-K217 WeakPolarHBondContact O-CB 3.36Å
214L91.3Very high90.4Very high24 Ų2472.3 Ų72.313%0.12637%0.369CS..Hα-helixtrans-72.6-40.7-175.6-66.6179000112.7L206 R210 V211 K217 N218L206-L214 HydrophobicContact CD1-CD1 3.42Å; L206-L214 VanDerWaalsContact CD1-CD1 3.42Å; R210-L214 HydrophobicContact CG-CD1 4.04Å; R210-L214 HydrophobicContact CG-CG 4.33Å; R210-L214 WeakPolarHBondContact O-CG 3.47Å; R210-L214 PolarHBondContact O-N 3.08Å; R210-L214 VanDerWaalsContact O-N 3.13Å; V211-L214 PolarHBondContact O-N 2.79Å; L214-K217 PolarHBondContact O-N 3.03Å; L214-N218 WeakPolarHBondContact O-CB 3.26Å; L214-N218 PolarHBondContact O-N 2.87Å
215I92.2Very high90.4Very high10 Ų1072.8 Ų72.85%0.05138%0.377CS..Hα-helixtrans-59.2-52-177.3-69.6171.8000110.6P167 P172 I175 W187 V211 K217 K241P167-I215 WeakPolarHBondContact O-CD1 3.44Å; P172-I215 HydrophobicContact CB-CG2 4.21Å; I175-I215 HydrophobicContact CD1-CB 3.62Å; I175-I215 HydrophobicContact CD1-CD1 3.76Å; I175-I215 HydrophobicContact CD1-CG1 4.28Å; I175-I215 HydrophobicContact CD1-CG2 3.59Å; W187-I215 HydrophobicContact CZ2-CG2 4.15Å; V211-I215 HydrophobicContact CG1-CD1 3.42Å; V211-I215 VanDerWaalsContact CG1-CD1 3.42Å; V211-I215 HydrophobicContact CG1-CG1 3.74Å; V211-I215 PolarHBondContact O-N 3.37Å; I215-K217 VanDerWaalsContact C-N 3.29Å; I215-K217 PolarHBondContact O-N 3.43Å; I215-K241 PolarHBondContact O-NZ 3.39Å
216P91.3Very high90.6Very high35 Ų3573.6 Ų73.623%0.22739%0.387CS..Hα-helixtrans-63.7-30177.1-29.139.9000115I175 K176 L212I175-P216 HydrophobicContact CB-CG 4.16Å; I175-P216 HydrophobicContact CD1-CG 4.48Å; I175-P216 HydrophobicContact CG2-CG 3.69Å; K176-P216 HydrophobicContact CG-CB 4.47Å; K176-P216 HydrophobicContact CG-CG 4.5Å; L212-P216 WeakPolarHBondContact O-CD 3.38Å; L212-P216 WeakPolarHBondContact O-CG 3.41Å
217K92.1Very high91Very high143 Ų14374.2 Ų74.262%0.62239%0.387SS*.Hα-helixtrans-89.9-43-169.3-178.2178.7178-1790113.9F213 L214 I215F213-K217 HydrophobicContact CD1-CD 4.18Å; F213-K217 HydrophobicContact CE1-CD 3.38Å; F213-K217 HydrophobicContact CZ-CD 3.61Å; F213-K217 VanDerWaalsContact O-CB 3.27Å; F213-K217 WeakPolarHBondContact O-CB 3.36Å; L214-K217 PolarHBondContact O-N 3.03Å; I215-K217 VanDerWaalsContact C-N 3.29Å; I215-K217 PolarHBondContact O-N 3.43Å
218N93.8Very high91.7Very high58 Ų5870.9 Ų70.931%0.3138%0.377SS..SBendtrans-81.1156.6-174-72.6-3.6000111.3L214 K241L214-N218 WeakPolarHBondContact O-CB 3.26Å; L214-N218 PolarHBondContact O-N 2.87Å; N218-K241 WeakPolarHBondContact O-CE 3.43Å; N218-K241 PolarHBondContact O-NZ 3.29Å
219P96.1Very high92.4Very high108 Ų10877 Ų7770%0.70140%0.398SS*.PPolyproline II helixtrans-51.7153.4163.6-2433.8000111.5
220P97.1Very high93.2Very high42 Ų4272.5 Ų72.527%0.27338%0.379SS..PPolyproline II helixtrans-55.3143174.8-22.632.3000112.6W187 L239 K241W187-P220 HydrophobicContact CH2-CB 4.19Å; W187-P220 HydrophobicContact CZ3-CB 4.39Å; P220-L239 HydrophobicContact CB-CB 4Å; P220-L239 WeakPolarHBondContact CB-O 3.45Å; P220-L239 WeakPolarHBondContact CG-O 3.42Å; P220-K241 HydrophobicContact CG-CD 4.23Å; P220-K241 HydrophobicContact CG-CG 3.93Å
221P97Very high93.8Very high30 Ų3065.4 Ų65.420%0.19535%0.353CS..PPolyproline II helixtrans-57.7148.8173-23.433.6000112I191 I194 P202 L239I191-P221 HydrophobicContact CD1-CG 4.21Å; I194-P221 HydrophobicContact CD1-CB 3.95Å; P202-P221 HydrophobicContact CB-CB 3.99Å; P202-P221 HydrophobicContact CB-CG 3.93Å; P202-P221 HydrophobicContact CG-CB 3.63Å; P202-P221 HydrophobicContact CG-CG 3.85Å; P221-L239 HydrophobicContact CB-CD1 4.27Å; P221-L239 WeakPolarHBondContact O-CD1 3.27Å
222Q96.6Very high94.3Very high129 Ų12969.1 Ų69.160%0.60337%0.369SS*.  trans-122.8148.5176.2-66.4-177.3-9.400111M224Q222-M224 PolarHBondContact O-N 2.83Å; Q222-M224 VanDerWaalsContact O-N 3.08Å
223L96.4Very high94.8Very high8 Ų870.9 Ų70.94%0.04238%0.378CS..  trans-77.695.2174.3-175.567.8000111A197 K198 Y227 F231 K232 I235A197-L223 HydrophobicContact CB-CD1 3.86Å; K198-L223 HydrophobicContact CG-CD1 4.46Å; L223-Y227 HydrophobicContact CD1-CD2 3.86Å; L223-Y227 HydrophobicContact CD1-CE2 3.66Å; L223-Y227 HydrophobicContact CD2-CD1 4.09Å; L223-Y227 HydrophobicContact CD2-CD2 3.61Å; L223-Y227 HydrophobicContact CD2-CE2 4.2Å; L223-Y227 HydrophobicContact CD2-CG 3.54Å; L223-Y227 HydrophobicContact CG-CD2 3.5Å; L223-Y227 HydrophobicContact CG-CE2 3.87Å; L223-Y227 HydrophobicContact CG-CG 4.01Å; L223-F231 HydrophobicContact CD2-CD1 3.43Å; L223-F231 VanDerWaalsContact CD2-CD1 3.43Å; L223-F231 HydrophobicContact CD2-CD2 4.48Å; L223-F231 HydrophobicContact CD2-CE1 3.49Å; L223-F231 VanDerWaalsContact CD2-CE1 3.49Å; L223-F231 HydrophobicContact CD2-CG 3.95Å; L223-F231 HydrophobicContact CD2-CZ 4.05Å; L223-K232 HydrophobicContact CB-CG 4.35Å; L223-K232 HydrophobicContact CD2-CG 4.37Å; L223-K232 WeakPolarHBondContact O-CE 3.25Å; L223-I235 HydrophobicContact CB-CD1 3.64Å; L223-I235 HydrophobicContact CD1-CD1 4.31Å; L223-I235 HydrophobicContact CD2-CD1 3.57Å; L223-I235 HydrophobicContact CG-CD1 4.02Å
224M92Very high95.5Very high129 Ų12965.3 Ų65.364%0.63535%0.354SS*.  trans-80.3142.8174.2-57.9-60.1-78.800111.6Q222 Y227Q222-M224 PolarHBondContact O-N 2.83Å; Q222-M224 VanDerWaalsContact O-N 3.08Å; M224-Y227 VanDerWaalsContact O-CE2 3.32Å; M224-Y227 WeakPolarHBondContact O-CE2 3.45Å
225G91.7Very high95.8Very high46 Ų4664.2 Ų64.247%0.47435%0.348SS..SBendtrans123.4-173.6177.300000114.1Y227 K232G225-Y227 PolarHBondContact O-N 2.81Å; G225-K232 WeakPolarHBondContact O-CE 3.48Å; G225-K232 PolarHBondContact O-NZ 3.34Å
226T93.9Very high96.1Very high150 Ų15069.9 Ų69.992%0.9238%0.375SS*.SBendtrans-82.461.1179.853.30000111.5
227Y96.8Very high96.4Very high45 Ų4569.8 Ų69.818%0.17638%0.376CS..  trans-106.1155.3174.8-59.8-79.1000111.8E102 A197 L223 M224 G225 F231 K232E102-Y227 HydrophobicContact CG-CD1 4.17Å; E102-Y227 WeakPolarHBondContact OE1-CA 3.49Å; E102-Y227 WeakPolarHBondContact OE1-CB 3.47Å; A197-Y227 HydrophobicContact CB-CE1 3.98Å; A197-Y227 PolarHBondContact O-OH 2.78Å; A197-Y227 VanDerWaalsContact O-OH 3.06Å; L223-Y227 HydrophobicContact CD1-CD2 3.86Å; L223-Y227 HydrophobicContact CD1-CE2 3.66Å; L223-Y227 HydrophobicContact CD2-CD1 4.09Å; L223-Y227 HydrophobicContact CD2-CD2 3.61Å; L223-Y227 HydrophobicContact CD2-CE2 4.2Å; L223-Y227 HydrophobicContact CD2-CG 3.54Å; L223-Y227 HydrophobicContact CG-CD2 3.5Å; L223-Y227 HydrophobicContact CG-CE2 3.87Å; L223-Y227 HydrophobicContact CG-CG 4.01Å; M224-Y227 VanDerWaalsContact O-CE2 3.32Å; M224-Y227 WeakPolarHBondContact O-CE2 3.45Å; G225-Y227 PolarHBondContact O-N 2.81Å; Y227-F231 AromaticContact CD1-CD1 3.98Å; Y227-F231 HydrophobicContact CD1-CD1 3.98Å; Y227-F231 HydrophobicContact CD1-CE1 4.1Å; Y227-F231 HydrophobicContact CE1-CE1 4.49Å; Y227-F231 HydrophobicContact CG-CD1 4.31Å; Y227-K232 WeakPolarHBondContact O-CE 3.38Å
228S97.7Very high96.7Very high43 Ų4363 Ų6330%0.30135%0.347SS..  trans-62.4147-179.579.30000111.7E102 F231 K232E102-S228 PolarHBondContact OE1-N 2.67Å; E102-S228 WeakPolarHBondContact OE2-CB 3.25Å; E102-S228 PolarHBondContact OE2-OG 2.88Å; S228-F231 PolarHBondContact O-N 2.86Å; S228-F231 VanDerWaalsContact O-N 3.09Å; S228-F231 WeakPolarHBondContact OG-CB 3.41Å; S228-F231 PolarHBondContact OG-N 3.48Å; S228-K232 PolarHBondContact O-N 3.11Å; S228-K232 VanDerWaalsContact O-N 3.16Å
229K97.5Very high97Very high177 Ų17760.4 Ų60.477%0.7733%0.333SS*.Hα-helixtrans-55.3-44.9176.2-175.4179.6-179.8-178.80112.1F231 K232 D233K229-F231 VanDerWaalsContact C-N 3.26Å; K229-F231 PolarHBondContact O-N 3.23Å; K229-K232 PolarHBondContact O-N 3.29Å; K229-D233 VanDerWaalsContact O-CB 3.25Å; K229-D233 WeakPolarHBondContact O-CB 3.14Å; K229-D233 PolarHBondContact O-N 3.24Å
230P98Very high97Very high39 Ų3958 Ų5825%0.25331%0.314SS..Hα-helixtrans-59.3-33.2175.8-2636.2000114.1F234 H255 P256 F257P230-F234 WeakPolarHBondContact O-CB 3.28Å; P230-F234 PolarHBondContact O-N 2.78Å; P230-H255 PolarHBondContact O-CE1 2.82Å; P230-H255 VanDerWaalsContact O-CE1 3.28Å; P230-P256 HydrophobicContact CB-CB 4.46Å; P230-F257 HydrophobicContact CB-CB 4.11Å
231F98.4Very high96.9Very high0 Ų058.8 Ų58.80%031%0.313CS..Hα-helixtrans-72.6-43179.6-170.9-159.4000111.9E102 I105 I109 A193 A197 L223 Y227 S228 K229 D233 F234 I235 F257E102-F231 HydrophobicContact CG-CD1 3.73Å; E102-F231 HydrophobicContact CG-CE1 4.17Å; I105-F231 HydrophobicContact CD1-CE1 4.18Å; I105-F231 HydrophobicContact CD1-CZ 4.27Å; I105-F231 HydrophobicContact CG2-CE1 4.46Å; I105-F231 HydrophobicContact CG2-CE2 4.05Å; I105-F231 HydrophobicContact CG2-CZ 3.68Å; I109-F231 HydrophobicContact CD1-CE2 4.22Å; A193-F231 HydrophobicContact CB-CE2 4.22Å; A197-F231 HydrophobicContact CB-CE1 3.82Å; A197-F231 HydrophobicContact CB-CZ 4.01Å; L223-F231 HydrophobicContact CD2-CD1 3.43Å; L223-F231 VanDerWaalsContact CD2-CD1 3.43Å; L223-F231 HydrophobicContact CD2-CD2 4.48Å; L223-F231 HydrophobicContact CD2-CE1 3.49Å; L223-F231 VanDerWaalsContact CD2-CE1 3.49Å; L223-F231 HydrophobicContact CD2-CG 3.95Å; L223-F231 HydrophobicContact CD2-CZ 4.05Å; Y227-F231 AromaticContact CD1-CD1 3.98Å; Y227-F231 HydrophobicContact CD1-CD1 3.98Å; Y227-F231 HydrophobicContact CD1-CE1 4.1Å; Y227-F231 HydrophobicContact CE1-CE1 4.49Å; Y227-F231 HydrophobicContact CG-CD1 4.31Å; S228-F231 PolarHBondContact O-N 2.86Å; S228-F231 VanDerWaalsContact O-N 3.09Å; S228-F231 WeakPolarHBondContact OG-CB 3.41Å; S228-F231 PolarHBondContact OG-N 3.48Å; K229-F231 VanDerWaalsContact C-N 3.26Å; K229-F231 PolarHBondContact O-N 3.23Å; F231-D233 VanDerWaalsContact C-N 3.34Å; F231-D233 PolarHBondContact O-N 3.27Å; F231-F234 WeakPolarHBondContact O-CB 3.43Å; F231-F234 PolarHBondContact O-N 2.85Å; F231-I235 HydrophobicContact CD2-CD1 4.06Å; F231-I235 HydrophobicContact CD2-CG1 4.37Å; F231-I235 HydrophobicContact CE2-CD1 3.69Å; F231-I235 HydrophobicContact CE2-CG1 4.15Å; F231-I235 HydrophobicContact CZ-CD1 4Å; F231-I235 PolarHBondContact O-N 3.27Å; F231-F257 HydrophobicContact CB-CD2 3.6Å; F231-F257 HydrophobicContact CB-CE2 3.47Å; F231-F257 VanDerWaalsContact CB-CE2 3.47Å; F231-F257 HydrophobicContact CB-CG 4.34Å; F231-F257 HydrophobicContact CB-CZ 4.12Å; F231-F257 HydrophobicContact CD1-CE2 4.16Å; F231-F257 HydrophobicContact CD1-CZ 4.19Å; F231-F257 AromaticContact CD2-CD1 3.95Å; F231-F257 HydrophobicContact CD2-CD1 3.95Å; F231-F257 HydrophobicContact CD2-CD2 4.05Å; F231-F257 AromaticContact CD2-CE1 3.48Å; F231-F257 HydrophobicContact CD2-CE1 3.48Å; F231-F257 VanDerWaalsContact CD2-CE1 3.48Å; F231-F257 AromaticContact CD2-CE2 3.59Å; F231-F257 HydrophobicContact CD2-CE2 3.59Å; F231-F257 HydrophobicContact CD2-CG 4.22Å; F231-F257 AromaticContact CD2-CZ 3.27Å; F231-F257 HydrophobicContact CD2-CZ 3.27Å; F231-F257 HydrophobicContact CE1-CZ 4.48Å; F231-F257 AromaticContact CE2-CE1 3.73Å; F231-F257 HydrophobicContact CE2-CE1 3.73Å; F231-F257 HydrophobicContact CE2-CE2 4.36Å; F231-F257 AromaticContact CE2-CZ 3.63Å; F231-F257 HydrophobicContact CE2-CZ 3.63Å; F231-F257 HydrophobicContact CG-CD2 4.03Å; F231-F257 HydrophobicContact CG-CE1 4.25Å; F231-F257 AromaticContact CG-CE2 3.48Å; F231-F257 HydrophobicContact CG-CE2 3.48Å; F231-F257 VanDerWaalsContact CG-CE2 3.48Å; F231-F257 AromaticContact CG-CZ 3.61Å; F231-F257 HydrophobicContact CG-CZ 3.61Å; F231-F257 HydrophobicContact CZ-CZ 4.24Å
232K98.4Very high96.7Very high78 Ų7860.9 Ų60.934%0.33932%0.323SS..Hα-helixtrans-61-44.4174.2-65.5-179.4179.6179.30111.8L223 G225 Y227 S228 K229 F234 I235 E236L223-K232 HydrophobicContact CB-CG 4.35Å; L223-K232 HydrophobicContact CD2-CG 4.37Å; L223-K232 WeakPolarHBondContact O-CE 3.25Å; G225-K232 WeakPolarHBondContact O-CE 3.48Å; G225-K232 PolarHBondContact O-NZ 3.34Å; Y227-K232 WeakPolarHBondContact O-CE 3.38Å; S228-K232 PolarHBondContact O-N 3.11Å; S228-K232 VanDerWaalsContact O-N 3.16Å; K229-K232 PolarHBondContact O-N 3.29Å; K232-F234 PolarHBondContact O-N 3.35Å; K232-I235 PolarHBondContact O-N 2.78Å; K232-E236 PolarHBondContact O-N 3.07Å
233D98Very high96.6Very high77 Ų7756 Ų5641%0.41230%0.303SS..Hα-helixtrans-60.6-41.2176.8-172.863.7000112K229 F231 I235 E236 A237 H255K229-D233 VanDerWaalsContact O-CB 3.25Å; K229-D233 WeakPolarHBondContact O-CB 3.14Å; K229-D233 PolarHBondContact O-N 3.24Å; F231-D233 VanDerWaalsContact C-N 3.34Å; F231-D233 PolarHBondContact O-N 3.27Å; D233-I235 PolarHBondContact O-N 3.43Å; D233-E236 PolarHBondContact O-N 3.28Å; D233-A237 WeakPolarHBondContact O-CB 3.43Å; D233-A237 PolarHBondContact O-N 3.44Å; D233-H255 IonicContact OD2-CE1 3.29Å; D233-H255 IonicContact OD2-NE2 2.79Å; D233-H255 PolarHBondContact OD2-NE2 3.5Å; D233-H255 VanDerWaalsContact OD2-NE2 3.12Å
234F98.6Very high96.5Very high0 Ų062.4 Ų62.40%033%0.332CS..Hα-helixtrans-59.5-46.5174.6178-91.9000112.3I109 L113 L189 A193 P230 F231 K232 A237 C238 L252 H255 F257 V258I109-F234 HydrophobicContact CD1-CE1 4.04Å; I109-F234 HydrophobicContact CG2-CE1 3.73Å; I109-F234 HydrophobicContact CG2-CE2 4.05Å; I109-F234 HydrophobicContact CG2-CZ 3.34Å; L113-F234 HydrophobicContact CD1-CE2 4.02Å; L113-F234 HydrophobicContact CD1-CZ 4.09Å; L189-F234 HydrophobicContact CD2-CZ 4.19Å; A193-F234 HydrophobicContact CB-CE1 4.41Å; P230-F234 WeakPolarHBondContact O-CB 3.28Å; P230-F234 PolarHBondContact O-N 2.78Å; F231-F234 WeakPolarHBondContact O-CB 3.43Å; F231-F234 PolarHBondContact O-N 2.85Å; K232-F234 PolarHBondContact O-N 3.35Å; F234-A237 PolarHBondContact O-N 3.41Å; F234-C238 PolarHBondContact O-N 2.8Å; F234-C238 PolarHBondContact O-SG 3.08Å; F234-L252 HydrophobicContact CD2-CD2 4.03Å; F234-L252 HydrophobicContact CE2-CB 4.11Å; F234-L252 HydrophobicContact CE2-CD2 3.72Å; F234-L252 HydrophobicContact CE2-CG 4.34Å; F234-L252 HydrophobicContact CZ-CD2 4.41Å; F234-H255 VanDerWaalsContact CA-CE1 3.48Å; F234-H255 WeakPolarHBondContact CA-CE1 3.34Å; F234-H255 HydrophobicContact CD2-CB 4.04Å; F234-H255 AromaticContact CD2-CG 3.78Å; F234-H255 AromaticContact CD2-ND1 3.68Å; F234-H255 PolarHBondContact N-CE1 3.07Å; F234-F257 HydrophobicContact CB-CB 4.16Å; F234-F257 HydrophobicContact CB-CD1 4.31Å; F234-F257 HydrophobicContact CB-CG 4.44Å; F234-F257 HydrophobicContact CD1-CD1 4.45Å; F234-F257 HydrophobicContact CD2-CD1 4.47Å; F234-F257 HydrophobicContact CG-CD1 4.15Å; F234-V258 HydrophobicContact CD2-CG2 3.94Å; F234-V258 HydrophobicContact CE2-CG2 3.54Å; F234-V258 HydrophobicContact CZ-CG2 4.32Å
235I98.6Very high96.8Very high2 Ų261.1 Ų61.11%0.0133%0.328CS..Hα-helixtrans-67-41.7-179.7-71.1170.1000110.7A193 I194 L223 F231 K232 D233 A237 C238 L239A193-I235 HydrophobicContact CB-CD1 4.08Å; A193-I235 HydrophobicContact CB-CG1 3.82Å; I194-I235 HydrophobicContact CD1-CG2 3.94Å; I194-I235 HydrophobicContact CG1-CD1 3.95Å; I194-I235 HydrophobicContact CG1-CG2 3.93Å; L223-I235 HydrophobicContact CB-CD1 3.64Å; L223-I235 HydrophobicContact CD1-CD1 4.31Å; L223-I235 HydrophobicContact CD2-CD1 3.57Å; L223-I235 HydrophobicContact CG-CD1 4.02Å; F231-I235 HydrophobicContact CD2-CD1 4.06Å; F231-I235 HydrophobicContact CD2-CG1 4.37Å; F231-I235 HydrophobicContact CE2-CD1 3.69Å; F231-I235 HydrophobicContact CE2-CG1 4.15Å; F231-I235 HydrophobicContact CZ-CD1 4Å; F231-I235 PolarHBondContact O-N 3.27Å; K232-I235 PolarHBondContact O-N 2.78Å; D233-I235 PolarHBondContact O-N 3.43Å; I235-A237 VanDerWaalsContact C-N 3.33Å; I235-A237 PolarHBondContact O-N 2.67Å; I235-C238 PolarHBondContact O-N 2.85Å; I235-L239 HydrophobicContact CG2-CD1 3.59Å; I235-L239 HydrophobicContact CG2-CG 4.14Å; I235-L239 WeakPolarHBondContact O-CB 3.28Å; I235-L239 WeakPolarHBondContact O-CG 3.46Å; I235-L239 PolarHBondContact O-N 3.15Å
236E98.2Very high97Very high129 Ų12959 Ų5960%0.60331%0.306SS*.Hα-helixtrans-61.2-41.1176.5-174.9172.4-174.700112K232 D233 C238 L239K232-E236 PolarHBondContact O-N 3.07Å; D233-E236 PolarHBondContact O-N 3.28Å; E236-C238 VanDerWaalsContact C-N 3.33Å; E236-C238 PolarHBondContact O-N 3.41Å; E236-L239 PolarHBondContact O-N 2.72Å
237A98.3Very high97.2Very high32 Ų3253.1 Ų53.126%0.26427%0.27SS..Hα-helixtrans-62.2-39175.100000112.5D233 F234 I235 P247D233-A237 WeakPolarHBondContact O-CB 3.43Å; D233-A237 PolarHBondContact O-N 3.44Å; F234-A237 PolarHBondContact O-N 3.41Å; I235-A237 VanDerWaalsContact C-N 3.33Å; I235-A237 PolarHBondContact O-N 2.67Å; A237-P247 HydrophobicContact CB-CG 4.28Å; A237-P247 WeakPolarHBondContact O-CD 3.35Å
238C98.5Very high97.3Very high0 Ų053.2 Ų53.20%028%0.275CS..Hα-helixtrans-72.1-42177.5-630000112.2V186 F234 I235 E236 N240 R246V186-C238 HydrophobicContact CG1-CB 4.21Å; F234-C238 PolarHBondContact O-N 2.8Å; F234-C238 PolarHBondContact O-SG 3.08Å; I235-C238 PolarHBondContact O-N 2.85Å; E236-C238 VanDerWaalsContact C-N 3.33Å; E236-C238 PolarHBondContact O-N 3.41Å; C238-N240 VanDerWaalsContact C-N 3.3Å; C238-N240 PolarHBondContact O-N 3.01Å; C238-N240 VanDerWaalsContact O-N 3.11Å; C238-R246 WeakPolarHBondContact O-CD 3.39Å
239L98.4Very high97.3Very high4 Ų451.2 Ų51.22%0.02126%0.261CS..  trans-90.455.5-172.2-61.1-175.8000112.3W187 I191 I194 P220 P221 I235 E236W187-L239 HydrophobicContact CD2-CD2 3.87Å; W187-L239 HydrophobicContact CE3-CD2 4.04Å; W187-L239 HydrophobicContact CG-CD2 4.24Å; W187-L239 HydrophobicContact CH2-CD2 4.47Å; W187-L239 HydrophobicContact CZ2-CD2 4.38Å; W187-L239 HydrophobicContact CZ3-CB 4.28Å; W187-L239 HydrophobicContact CZ3-CD2 4.34Å; W187-L239 WeakPolarHBondContact O-CD2 3.47Å; I191-L239 HydrophobicContact CD1-CD1 4.12Å; I191-L239 HydrophobicContact CD1-CD2 3.77Å; I191-L239 HydrophobicContact CG1-CD2 4.02Å; I194-L239 HydrophobicContact CD1-CD1 3.7Å; P220-L239 HydrophobicContact CB-CB 4Å; P220-L239 WeakPolarHBondContact CB-O 3.45Å; P220-L239 WeakPolarHBondContact CG-O 3.42Å; P221-L239 HydrophobicContact CB-CD1 4.27Å; P221-L239 WeakPolarHBondContact O-CD1 3.27Å; I235-L239 HydrophobicContact CG2-CD1 3.59Å; I235-L239 HydrophobicContact CG2-CG 4.14Å; I235-L239 WeakPolarHBondContact O-CB 3.28Å; I235-L239 WeakPolarHBondContact O-CG 3.46Å; I235-L239 PolarHBondContact O-N 3.15Å; E236-L239 PolarHBondContact O-N 2.72Å
240N97.2Very high97.4Very high57 Ų5750.5 Ų50.531%0.30525%0.254SS..  trans-93.4135.2169.6-158.9-49.9000110.7C238 D242 N245 R246C238-N240 VanDerWaalsContact C-N 3.3Å; C238-N240 PolarHBondContact O-N 3.01Å; C238-N240 VanDerWaalsContact O-N 3.11Å; N240-D242 PolarHBondContact O-N 3.24Å; N240-D242 PolarHBondContact OD1-N 3.04Å; N240-N245 HydrophobicContact CB-CB 4.34Å; N240-N245 WeakPolarHBondContact ND2-CB 3.45Å; N240-R246 HydrophobicContact CB-CG 3.9Å; N240-R246 VanDerWaalsContact O-CZ 3.31Å; N240-R246 PolarHBondContact O-NE 3.44Å; N240-R246 PolarHBondContact O-NH2 3.47Å
241K94.5Very high97.4Very high59 Ų5953.6 Ų53.626%0.25727%0.265SS..SBendtrans-65.5-30.5177.5-70.4-57.1-176-170.10112.7P172 W187 I215 N218 P220 P243P172-K241 HydrophobicContact CB-CD 4.19Å; P172-K241 HydrophobicContact CG-CD 3.81Å; W187-K241 HydrophobicContact CH2-CD 4.03Å; W187-K241 HydrophobicContact CZ3-CD 4.07Å; I215-K241 PolarHBondContact O-NZ 3.39Å; N218-K241 WeakPolarHBondContact O-CE 3.43Å; N218-K241 PolarHBondContact O-NZ 3.29Å; P220-K241 HydrophobicContact CG-CD 4.23Å; P220-K241 HydrophobicContact CG-CG 3.93Å; K241-P243 WeakPolarHBondContact O-CD 3.49Å
242D94.1Very high97.4Very high74 Ų7453.8 Ų53.840%0.39627%0.266SS..SBendtrans-89.2114.5176.5-173.4-6.2000109.3N240 E244 N245N240-D242 PolarHBondContact O-N 3.24Å; N240-D242 PolarHBondContact OD1-N 3.04Å; D242-E244 PolarHBondContact O-N 3.14Å; D242-E244 PolarHBondContact OD1-N 2.74Å; D242-N245 HydrophobicContact CB-CB 4.41Å; D242-N245 WeakPolarHBondContact CB-ND2 3.42Å; D242-N245 PolarHBondContact O-N 2.98Å; D242-N245 VanDerWaalsContact O-N 3.16Å; D242-N245 PolarHBondContact OD2-ND2 2.82Å
243P94.4Very high97.4Very high28 Ų2852.1 Ų52.118%0.18226%0.26CS..G310 helixtrans-59.3-29.4-179.4-23.134.7000113.7E173 K183 K241 N245 R246E173-P243 HydrophobicContact CB-CG 4.26Å; E173-P243 HydrophobicContact CG-CG 3.86Å; K183-P243 HydrophobicContact CB-CB 4.02Å; K183-P243 HydrophobicContact CG-CB 4.49Å; K183-P243 PolarHBondContact NZ-O 3.22Å; K183-P243 VanDerWaalsContact NZ-O 3.11Å; K241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-N245 VanDerWaalsContact C-N 3.26Å; P243-N245 PolarHBondContact O-N 2.84Å; P243-R246 WeakPolarHBondContact O-CB 3.31Å; P243-R246 PolarHBondContact O-N 3.5Å; P243-R246 VanDerWaalsContact O-N 3.16Å
244E94.3Very high97.4Very high142 Ų14255.6 Ų55.666%0.66427%0.272SS*.G310 helixtrans-64.5-34.2179-67.2-58134.400111.6D242 R246D242-E244 PolarHBondContact O-N 3.14Å; D242-E244 PolarHBondContact OD1-N 2.74Å; E244-R246 VanDerWaalsContact C-N 3.29Å; E244-R246 PolarHBondContact O-N 2.87Å
245N96.7Very high97.4Very high101 Ų10156.8 Ų56.854%0.5428%0.277SS..G310 helixtrans-82.6-5179.2-65.8-43.2000113.5N240 D242 P243N240-N245 HydrophobicContact CB-CB 4.34Å; N240-N245 WeakPolarHBondContact ND2-CB 3.45Å; D242-N245 HydrophobicContact CB-CB 4.41Å; D242-N245 WeakPolarHBondContact CB-ND2 3.42Å; D242-N245 PolarHBondContact O-N 2.98Å; D242-N245 VanDerWaalsContact O-N 3.16Å; D242-N245 PolarHBondContact OD2-ND2 2.82Å; P243-N245 VanDerWaalsContact C-N 3.26Å; P243-N245 PolarHBondContact O-N 2.84Å
246R97.6Very high97.4Very high3 Ų359.3 Ų59.31%0.01129%0.294CS..SBendtrans-79.9131.4173.3-61.8-177.6-157.714111.8109.7E173 K183 V186 C238 N240 P243 E244E173-R246 IonicContact OE1-CZ 2.73Å; E173-R246 IonicContact OE1-NH1 2.76Å; E173-R246 PolarHBondContact OE1-NH1 2.98Å; E173-R246 IonicContact OE1-NH2 2.78Å; E173-R246 PolarHBondContact OE1-NH2 3.07Å; E173-R246 IonicContact OE2-CZ 3.07Å; E173-R246 IonicContact OE2-NH1 3.61Å; E173-R246 IonicContact OE2-NH2 3.67Å; E173-R246 PolarHBondContact OE2-NH2 3.11Å; K183-R246 HydrophobicContact CD-CB 4.27Å; K183-R246 WeakPolarHBondContact CE-O 3.16Å; K183-R246 PolarHBondContact NZ-O 3.27Å; K183-R246 PolarHBondContact O-NH1 3.47Å; V186-R246 HydrophobicContact CG1-CB 4.18Å; C238-R246 WeakPolarHBondContact O-CD 3.39Å; N240-R246 HydrophobicContact CB-CG 3.9Å; N240-R246 VanDerWaalsContact O-CZ 3.31Å; N240-R246 PolarHBondContact O-NE 3.44Å; N240-R246 PolarHBondContact O-NH2 3.47Å; P243-R246 WeakPolarHBondContact O-CB 3.31Å; P243-R246 PolarHBondContact O-N 3.5Å; P243-R246 VanDerWaalsContact O-N 3.16Å; E244-R246 VanDerWaalsContact C-N 3.29Å; E244-R246 PolarHBondContact O-N 2.87Å
247P98.1Very high97.4Very high25 Ų2553.8 Ų53.816%0.16227%0.268CS..PPolyproline II helixtrans-65.3157.1173.929.2-35000111.2A237 E251 L252A237-P247 HydrophobicContact CB-CG 4.28Å; A237-P247 WeakPolarHBondContact O-CD 3.35Å; P247-E251 VanDerWaalsContact CA-OE2 3.27Å; P247-E251 WeakPolarHBondContact CA-OE2 3.18Å; P247-E251 HydrophobicContact CB-CB 3.95Å; P247-L252 HydrophobicContact CB-CD2 4.26Å; P247-L252 HydrophobicContact CB-CG 4.05Å; P247-L252 HydrophobicContact CG-CD1 4.03Å; P247-L252 HydrophobicContact CG-CD2 3.43Å; P247-L252 VanDerWaalsContact CG-CD2 3.43Å; P247-L252 HydrophobicContact CG-CG 3.56Å
248T98.1Very high97.4Very high48 Ų4852.4 Ų52.429%0.29426%0.256SS..PPolyproline II helixtrans-74.616317277.40000111.1R250 E251 L252T248-R250 VanDerWaalsContact C-N 3.25Å; T248-R250 PolarHBondContact O-N 3.04Å; T248-R250 PolarHBondContact OG1-N 2.77Å; T248-E251 PolarHBondContact N-OE2 2.86Å; T248-E251 PolarHBondContact O-N 3.34Å; T248-E251 PolarHBondContact OG1-N 3.28Å; T248-L252 PolarHBondContact O-N 2.97Å
249A98.1Very high97.3Very high1 Ų161.4 Ų61.41%0.00829%0.29CS..Hα-helixtrans-53.5-43.9173.200000112.1L113 L116 D117 E251 L252 L253L113-A249 HydrophobicContact CD2-CB 4.06Å; L116-A249 HydrophobicContact CB-CB 3.9Å; D117-A249 HydrophobicContact CB-CB 4.03Å; A249-E251 VanDerWaalsContact C-N 3.3Å; A249-E251 PolarHBondContact O-N 3.11Å; A249-L252 PolarHBondContact O-N 3.36Å; A249-L253 PolarHBondContact O-N 3.29Å
250R98Very high97Very high162 Ų16268.6 Ų68.661%0.61132%0.321SS*.Hα-helixtrans-55.1-37.8173.1-161.8166.562.8174.5-3.1114.9D117 T248D117-R250 WeakPolarHBondContact OD1-CB 3.2Å; T248-R250 VanDerWaalsContact C-N 3.25Å; T248-R250 PolarHBondContact O-N 3.04Å; T248-R250 PolarHBondContact OG1-N 2.77Å
251E98.4Very high97Very high104 Ų10466.7 Ų66.749%0.48631%0.313SS..Hα-helixtrans-76.1-42179.4-70170.5152.900110.7P247 T248 A249 L253 K254P247-E251 VanDerWaalsContact CA-OE2 3.27Å; P247-E251 WeakPolarHBondContact CA-OE2 3.18Å; P247-E251 HydrophobicContact CB-CB 3.95Å; T248-E251 PolarHBondContact N-OE2 2.86Å; T248-E251 PolarHBondContact O-N 3.34Å; T248-E251 PolarHBondContact OG1-N 3.28Å; A249-E251 VanDerWaalsContact C-N 3.3Å; A249-E251 PolarHBondContact O-N 3.11Å; E251-L253 VanDerWaalsContact C-N 3.27Å; E251-L253 PolarHBondContact O-N 3.47Å; E251-K254 WeakPolarHBondContact O-CB 3.32Å; E251-K254 PolarHBondContact O-N 3.47Å
252L98.6Very high97.1Very high3 Ų369.4 Ų69.42%0.01633%0.325CS..Hα-helixtrans-62.7-29.7175.9-74.3172.8000113.3L113 V186 L189 F234 P247 T248 A249 K254 H255L113-L252 HydrophobicContact CD1-CB 3.81Å; L113-L252 HydrophobicContact CD2-CB 3.58Å; L113-L252 HydrophobicContact CD2-CD1 3.85Å; L113-L252 HydrophobicContact CD2-CG 4.38Å; L113-L252 HydrophobicContact CG-CB 4.37Å; V186-L252 HydrophobicContact CG1-CD1 3.79Å; L189-L252 HydrophobicContact CD2-CD1 4.39Å; F234-L252 HydrophobicContact CD2-CD2 4.03Å; F234-L252 HydrophobicContact CE2-CB 4.11Å; F234-L252 HydrophobicContact CE2-CD2 3.72Å; F234-L252 HydrophobicContact CE2-CG 4.34Å; F234-L252 HydrophobicContact CZ-CD2 4.41Å; P247-L252 HydrophobicContact CB-CD2 4.26Å; P247-L252 HydrophobicContact CB-CG 4.05Å; P247-L252 HydrophobicContact CG-CD1 4.03Å; P247-L252 HydrophobicContact CG-CD2 3.43Å; P247-L252 VanDerWaalsContact CG-CD2 3.43Å; P247-L252 HydrophobicContact CG-CG 3.56Å; T248-L252 PolarHBondContact O-N 2.97Å; A249-L252 PolarHBondContact O-N 3.36Å; L252-K254 PolarHBondContact O-N 2.81Å; L252-K254 VanDerWaalsContact O-N 3.14Å; L252-H255 WeakPolarHBondContact O-CB 3.49Å; L252-H255 PolarHBondContact O-N 3.3Å
253L98.4Very high97.3Very high43 Ų4373.8 Ų73.823%0.22534%0.341CS..THydrogen-bonded Turntrans-58.4-24.4171.5-77.3171.7000113.2R110 L113 K114 D117 A249 E251 V258R110-L253 HydrophobicContact CG-CD2 4.19Å; L113-L253 HydrophobicContact CB-CD2 3.6Å; L113-L253 HydrophobicContact CB-CG 3.93Å; L113-L253 HydrophobicContact CD1-CD2 4.37Å; K114-L253 HydrophobicContact CG-CD1 4.37Å; K114-L253 HydrophobicContact CG-CD2 3.9Å; D117-L253 HydrophobicContact CB-CD1 4.41Å; A249-L253 PolarHBondContact O-N 3.29Å; E251-L253 VanDerWaalsContact C-N 3.27Å; E251-L253 PolarHBondContact O-N 3.47Å; L253-V258 HydrophobicContact CD2-CG1 4.34Å
254K98.2Very high97.4Very high151 Ų15173.8 Ų73.866%0.65734%0.339SS*.THydrogen-bonded Turntrans-89.6-7.7177.8-57.1174-174.7172.90112.8E251 L252E251-K254 WeakPolarHBondContact O-CB 3.32Å; E251-K254 PolarHBondContact O-N 3.47Å; L252-K254 PolarHBondContact O-N 2.81Å; L252-K254 VanDerWaalsContact O-N 3.14Å
255H98.5Very high97.4Very high24 Ų2471.7 Ų71.711%0.11133%0.333CS..SBendtrans-60.5141-176.1-165.7-92.5000111.5P230 D233 F234 L252 F257 V258 R259P230-H255 PolarHBondContact O-CE1 2.82Å; P230-H255 VanDerWaalsContact O-CE1 3.28Å; D233-H255 IonicContact OD2-CE1 3.29Å; D233-H255 IonicContact OD2-NE2 2.79Å; D233-H255 PolarHBondContact OD2-NE2 3.5Å; D233-H255 VanDerWaalsContact OD2-NE2 3.12Å; F234-H255 VanDerWaalsContact CA-CE1 3.48Å; F234-H255 WeakPolarHBondContact CA-CE1 3.34Å; F234-H255 HydrophobicContact CD2-CB 4.04Å; F234-H255 AromaticContact CD2-CG 3.78Å; F234-H255 AromaticContact CD2-ND1 3.68Å; F234-H255 PolarHBondContact N-CE1 3.07Å; L252-H255 WeakPolarHBondContact O-CB 3.49Å; L252-H255 PolarHBondContact O-N 3.3Å; H255-F257 PolarHBondContact ND1-N 2.73Å; H255-F257 PolarHBondContact O-N 3.42Å; H255-F257 VanDerWaalsContact O-N 3.09Å; H255-V258 HydrophobicContact CB-CG2 4.41Å; H255-V258 PolarHBondContact O-N 2.82Å; H255-R259 WeakPolarHBondContact O-CB 3.27Å; H255-R259 PolarHBondContact O-N 3.33Å
256P98Very high97.4Very high56 Ų5668.1 Ų68.136%0.36431%0.314SS..Hα-helixtrans-55-31.9-177.1-29.336000115.4P230 K260P230-P256 HydrophobicContact CB-CB 4.46Å; P256-K260 WeakPolarHBondContact O-CG 3.37Å
257F98.3Very high97.4Very high13 Ų1368 Ų686%0.05731%0.314CS..Hα-helixtrans-65.5-46.5175.2-177.7-109.6000112.1E102 I105 A106 I109 P230 F231 F234 H255E102-F257 HydrophobicContact CB-CE2 4.28Å; I105-F257 HydrophobicContact CG2-CZ 4.3Å; A106-F257 HydrophobicContact CB-CD1 4.35Å; A106-F257 HydrophobicContact CB-CE1 3.81Å; A106-F257 HydrophobicContact CB-CE2 4.12Å; A106-F257 HydrophobicContact CB-CZ 3.7Å; I109-F257 HydrophobicContact CD1-CE1 4.05Å; P230-F257 HydrophobicContact CB-CB 4.11Å; F231-F257 HydrophobicContact CB-CD2 3.6Å; F231-F257 HydrophobicContact CB-CE2 3.47Å; F231-F257 VanDerWaalsContact CB-CE2 3.47Å; F231-F257 HydrophobicContact CB-CG 4.34Å; F231-F257 HydrophobicContact CB-CZ 4.12Å; F231-F257 HydrophobicContact CD1-CE2 4.16Å; F231-F257 HydrophobicContact CD1-CZ 4.19Å; F231-F257 AromaticContact CD2-CD1 3.95Å; F231-F257 HydrophobicContact CD2-CD1 3.95Å; F231-F257 HydrophobicContact CD2-CD2 4.05Å; F231-F257 AromaticContact CD2-CE1 3.48Å; F231-F257 HydrophobicContact CD2-CE1 3.48Å; F231-F257 VanDerWaalsContact CD2-CE1 3.48Å; F231-F257 AromaticContact CD2-CE2 3.59Å; F231-F257 HydrophobicContact CD2-CE2 3.59Å; F231-F257 HydrophobicContact CD2-CG 4.22Å; F231-F257 AromaticContact CD2-CZ 3.27Å; F231-F257 HydrophobicContact CD2-CZ 3.27Å; F231-F257 HydrophobicContact CE1-CZ 4.48Å; F231-F257 AromaticContact CE2-CE1 3.73Å; F231-F257 HydrophobicContact CE2-CE1 3.73Å; F231-F257 HydrophobicContact CE2-CE2 4.36Å; F231-F257 AromaticContact CE2-CZ 3.63Å; F231-F257 HydrophobicContact CE2-CZ 3.63Å; F231-F257 HydrophobicContact CG-CD2 4.03Å; F231-F257 HydrophobicContact CG-CE1 4.25Å; F231-F257 AromaticContact CG-CE2 3.48Å; F231-F257 HydrophobicContact CG-CE2 3.48Å; F231-F257 VanDerWaalsContact CG-CE2 3.48Å; F231-F257 AromaticContact CG-CZ 3.61Å; F231-F257 HydrophobicContact CG-CZ 3.61Å; F231-F257 HydrophobicContact CZ-CZ 4.24Å; F234-F257 HydrophobicContact CB-CB 4.16Å; F234-F257 HydrophobicContact CB-CD1 4.31Å; F234-F257 HydrophobicContact CB-CG 4.44Å; F234-F257 HydrophobicContact CD1-CD1 4.45Å; F234-F257 HydrophobicContact CD2-CD1 4.47Å; F234-F257 HydrophobicContact CG-CD1 4.15Å; H255-F257 PolarHBondContact ND1-N 2.73Å; H255-F257 PolarHBondContact O-N 3.42Å; H255-F257 VanDerWaalsContact O-N 3.09Å
258V98.2Very high97.3Very high3 Ų369.6 Ų69.62%0.01832%0.323CS..Hα-helixtrans-76.8-41.4-177.3-179.80000111.6I109 R110 L113 F234 L253 H255 K260 A261I109-V258 HydrophobicContact CG2-CG2 4.06Å; R110-V258 HydrophobicContact CB-CG1 3.72Å; R110-V258 HydrophobicContact CG-CG1 3.76Å; L113-V258 HydrophobicContact CD1-CG1 4.14Å; L113-V258 HydrophobicContact CD1-CG2 3.75Å; F234-V258 HydrophobicContact CD2-CG2 3.94Å; F234-V258 HydrophobicContact CE2-CG2 3.54Å; F234-V258 HydrophobicContact CZ-CG2 4.32Å; L253-V258 HydrophobicContact CD2-CG1 4.34Å; H255-V258 HydrophobicContact CB-CG2 4.41Å; H255-V258 PolarHBondContact O-N 2.82Å; V258-K260 PolarHBondContact O-N 3.25Å; V258-K260 VanDerWaalsContact O-N 3.14Å; V258-A261 WeakPolarHBondContact O-CB 3.45Å; V258-A261 PolarHBondContact O-N 3Å
259R96.7Very high97.2Very high188 Ų18872.2 Ų72.271%0.70933%0.332SS*.Hα-helixtrans-60.8-26.3-178.7-167.3178.671.1164.40.5113H255H255-R259 WeakPolarHBondContact O-CB 3.27Å; H255-R259 PolarHBondContact O-N 3.33Å
260K93.2Very high97.1Very high156 Ų15672.5 Ų72.568%0.67833%0.334SS*.THydrogen-bonded Turntrans-90.1-0.6178.6-69.3-179.9-179.2-177.70113.8P256 V258P256-K260 WeakPolarHBondContact O-CG 3.37Å; V258-K260 PolarHBondContact O-N 3.25Å; V258-K260 VanDerWaalsContact O-N 3.14Å
261A96.8Very high97Very high16 Ų1665 Ų6513%0.13231%0.306CS..  trans-62.2138.3-178.700000112A106 V107 R110 V258A106-A261 HydrophobicContact CB-CB 3.94Å; V107-A261 HydrophobicContact CG2-CB 4.13Å; R110-A261 HydrophobicContact CB-CB 4.47Å; R110-A261 PolarHBondContact NH1-O 3.48Å; R110-A261 VanDerWaalsContact NH1-O 3.13Å; V258-A261 WeakPolarHBondContact O-CB 3.45Å; V258-A261 PolarHBondContact O-N 3Å
262K96.6Very high96.9Very high116 Ų11664.4 Ų64.450%0.50430%0.303SS..  trans-71.9179.6177.3-66.7-168-176.41720111.9M103 V107 R110 V266M103-K262 HydrophobicContact CG-CD 3.97Å; M103-K262 HydrophobicContact CG-CG 4.22Å; M103-K262 HydrophobicContact SD-CD 3.45Å; M103-K262 WeakPolarHBondContact SD-CD 3.45Å; M103-K262 WeakPolarHBondContact SD-CE 3.45Å; M103-K262 HydrophobicContact SD-CG 4.33Å; M103-K262 PolarHBondContact SD-NZ 3.31Å; V107-K262 HydrophobicContact CG2-CB 4.4Å; V107-K262 WeakPolarHBondContact CG2-O 3.48Å; R110-K262 VanDerWaalsContact CZ-O 3.29Å; R110-K262 PolarHBondContact NH1-O 2.85Å; R110-K262 PolarHBondContact NH2-O 2.99Å; K262-V266 HydrophobicContact CB-CG1 3.9Å; K262-V266 HydrophobicContact CB-CG2 4.33Å; K262-V266 HydrophobicContact CD-CG1 3.98Å
263K97.2Very high96.8Very high166 Ų16669.4 Ų69.472%0.72232%0.321SS*.  trans-69156.6173.8-69.8-176.7179.7-176.50110.9N265 V266K263-N265 WeakPolarHBondContact CB-OD1 3.5Å; K263-N265 PolarHBondContact O-N 3.08Å; K263-N265 VanDerWaalsContact O-N 3.17Å; K263-N265 PolarHBondContact O-OD1 3.36Å; K263-V266 WeakPolarHBondContact O-CG2 3.42Å; K263-V266 PolarHBondContact O-N 3.21Å
264N96.5Very high96.6Very high28 Ų2868.1 Ų68.115%0.1531%0.314CS..G310 helixtrans-58.9-27.8-176.3-71.711.3000113.7R110 E111 G140 V266 L267R110-N264 PolarHBondContact NH2-OD1 3.28Å; E111-N264 PolarHBondContact OE2-ND2 3Å; G140-N264 WeakPolarHBondContact O-CB 3.42Å; N264-V266 PolarHBondContact O-N 3.43Å; N264-L267 WeakPolarHBondContact O-CB 3.42Å; N264-L267 WeakPolarHBondContact O-CG 3.24Å; N264-L267 PolarHBondContact O-N 3.21Å
265N95.3Very high96.4Very high99 Ų9964.3 Ų64.353%0.52930%0.297SS..G310 helixtrans-58.4-18.2179.670.1-37000114.5K263 L267 T268K263-N265 WeakPolarHBondContact CB-OD1 3.5Å; K263-N265 PolarHBondContact O-N 3.08Å; K263-N265 VanDerWaalsContact O-N 3.17Å; K263-N265 PolarHBondContact O-OD1 3.36Å; N265-L267 PolarHBondContact O-N 3.15Å; N265-T268 PolarHBondContact O-N 2.95Å; N265-T268 PolarHBondContact O-OG1 3.21Å
266V96.5Very high96.2Very high25 Ų2567.8 Ų67.815%0.15231%0.313CS..G310 helixtrans-68.7-19.2173.1-540000112.4V107 K262 K263 N264 T268 E269V107-V266 HydrophobicContact CG2-CG2 3.93Å; K262-V266 HydrophobicContact CB-CG1 3.9Å; K262-V266 HydrophobicContact CB-CG2 4.33Å; K262-V266 HydrophobicContact CD-CG1 3.98Å; K263-V266 WeakPolarHBondContact O-CG2 3.42Å; K263-V266 PolarHBondContact O-N 3.21Å; N264-V266 PolarHBondContact O-N 3.43Å; V266-T268 VanDerWaalsContact C-N 3.3Å; V266-E269 WeakPolarHBondContact O-CG 3.42Å
267L97.6Very high95.9Very high0 Ų068 Ų680%031%0.307CS..G310 helixtrans-76.7-17.3178.2-59.4178.9000112.6H104 V107 I108 L136 V142 N264 N265 E269 L270 I271H104-L267 HydrophobicContact CB-CD2 3.92Å; V107-L267 HydrophobicContact CB-CD1 4.38Å; V107-L267 HydrophobicContact CB-CD2 4.29Å; V107-L267 HydrophobicContact CB-CG 4.42Å; V107-L267 HydrophobicContact CG1-CD1 3.65Å; V107-L267 HydrophobicContact CG1-CD2 4.33Å; V107-L267 HydrophobicContact CG1-CG 3.93Å; I108-L267 HydrophobicContact CD1-CD2 4.3Å; I108-L267 HydrophobicContact CG1-CD1 4.01Å; I108-L267 HydrophobicContact CG1-CD2 4.01Å; L136-L267 HydrophobicContact CD2-CB 4.24Å; L136-L267 HydrophobicContact CD2-CD1 3.81Å; V142-L267 HydrophobicContact CG2-CD1 3.54Å; N264-L267 WeakPolarHBondContact O-CB 3.42Å; N264-L267 WeakPolarHBondContact O-CG 3.24Å; N264-L267 PolarHBondContact O-N 3.21Å; N265-L267 PolarHBondContact O-N 3.15Å; L267-E269 PolarHBondContact O-N 3.34Å; L267-L270 HydrophobicContact CD2-CD1 4.11Å; L267-L270 WeakPolarHBondContact O-CB 3.42Å; L267-L270 PolarHBondContact O-N 2.73Å; L267-L270 VanDerWaalsContact O-N 3.08Å; L267-I271 WeakPolarHBondContact O-CG1 3.18Å; L267-I271 PolarHBondContact O-N 2.86Å; L267-I271 VanDerWaalsContact O-N 3.07Å
268T96.8Very high95.5Very high60 Ų6071.5 Ų71.537%0.36832%0.322SS..Hα-helixtrans-62.6-28.9178.762.70000112N265 V266 I271 E272N265-T268 PolarHBondContact O-N 2.95Å; N265-T268 PolarHBondContact O-OG1 3.21Å; V266-T268 VanDerWaalsContact C-N 3.3Å; T268-I271 PolarHBondContact O-N 3.18Å; T268-E272 WeakPolarHBondContact O-CB 3.02Å; T268-E272 PolarHBondContact O-N 3.1Å
269E95.1Very high95Very high103 Ų10378.9 Ų78.948%0.48136%0.358SS..Hα-helixtrans-68.4-35.1175.882.4-167.3151.600112.4H104 V266 L267 R273H104-E269 IonicContact CD2-OE1 3.51Å; H104-E269 IonicContact CE1-OE1 3.12Å; H104-E269 PolarHBondContact CE1-OE1 2.9Å; H104-E269 IonicContact NE2-OE1 3.74Å; H104-E269 PolarHBondContact NE2-OE1 3.42Å; V266-E269 WeakPolarHBondContact O-CG 3.42Å; L267-E269 PolarHBondContact O-N 3.34Å; E269-R273 VanDerWaalsContact O-CB 3.32Å; E269-R273 WeakPolarHBondContact O-CB 3.02Å; E269-R273 PolarHBondContact O-N 2.81Å
270L96.4Very high94.6Very high7 Ų777.8 Ų77.84%0.03736%0.361CS..Hα-helixtrans-70.2-41.7174-65.8-179.9000111.3L94 L100 H104 L267 E272 R273 Y274L94-L270 HydrophobicContact CD1-CB 4.23Å; L100-L270 HydrophobicContact CD2-CD1 3.71Å; L100-L270 HydrophobicContact CD2-CD2 3.91Å; L100-L270 HydrophobicContact CD2-CG 4.42Å; H104-L270 HydrophobicContact CB-CD1 3.55Å; H104-L270 VanDerWaalsContact CG-CD1 3.46Å; L267-L270 HydrophobicContact CD2-CD1 4.11Å; L267-L270 WeakPolarHBondContact O-CB 3.42Å; L267-L270 PolarHBondContact O-N 2.73Å; L267-L270 VanDerWaalsContact O-N 3.08Å; L270-E272 VanDerWaalsContact C-N 3.33Å; L270-E272 PolarHBondContact O-N 2.78Å; L270-R273 WeakPolarHBondContact O-CB 3.42Å; L270-R273 PolarHBondContact O-N 2.96Å; L270-Y274 PolarHBondContact O-N 3.4Å
271I96.7Very high93.8Very high4 Ų475.5 Ų75.52%0.02135%0.354CS..Hα-helixtrans-60.2-46.2176.5-66.9161000110L94 L136 S137 L267 T268 Y274 K275L94-I271 HydrophobicContact CD1-CG1 4.36Å; L94-I271 HydrophobicContact CD2-CG1 4.16Å; L136-I271 HydrophobicContact CB-CD1 4.36Å; L136-I271 HydrophobicContact CD2-CD1 4.42Å; S137-I271 WeakPolarHBondContact O-CD1 3.27Å; L267-I271 WeakPolarHBondContact O-CG1 3.18Å; L267-I271 PolarHBondContact O-N 2.86Å; L267-I271 VanDerWaalsContact O-N 3.07Å; T268-I271 PolarHBondContact O-N 3.18Å; I271-Y274 PolarHBondContact O-N 3.21Å; I271-K275 HydrophobicContact CG2-CD 4.35Å; I271-K275 WeakPolarHBondContact O-CG 3.31Å; I271-K275 PolarHBondContact O-N 3.07Å
272E96Very high92.1Very high91 Ų9176 Ų7643%0.42536%0.361SS..Hα-helixtrans-65.1-42177.8-176.654.3-150.400111.8T268 L270 Y274 K275 Q276T268-E272 WeakPolarHBondContact O-CB 3.02Å; T268-E272 PolarHBondContact O-N 3.1Å; L270-E272 VanDerWaalsContact C-N 3.33Å; L270-E272 PolarHBondContact O-N 2.78Å; E272-Y274 VanDerWaalsContact C-N 3.3Å; E272-Y274 PolarHBondContact O-N 3.26Å; E272-K275 PolarHBondContact O-N 3.49Å; E272-Q276 WeakPolarHBondContact O-CG 3.49Å; E272-Q276 PolarHBondContact O-N 3.27Å; E272-Q276 PolarHBondContact OE1-NE2 3.16Å
273R95.3Very high90.2Very high109 Ų10977.7 Ų77.741%0.41138%0.384SS..Hα-helixtrans-57.9-42.5173.2-180-177.5174.8176.7-3.2112P97 E269 L270 W277P97-R273 HydrophobicContact CB-CG 3.81Å; P97-R273 HydrophobicContact CG-CG 4.31Å; P97-R273 PolarHBondContact O-NH2 3.46Å; E269-R273 VanDerWaalsContact O-CB 3.32Å; E269-R273 WeakPolarHBondContact O-CB 3.02Å; E269-R273 PolarHBondContact O-N 2.81Å; L270-R273 WeakPolarHBondContact O-CB 3.42Å; L270-R273 PolarHBondContact O-N 2.96Å; R273-W277 WeakPolarHBondContact O-CB 3.42Å; R273-W277 PolarHBondContact O-N 3.38Å
274Y95.5Very high88Confident15 Ų1572.3 Ų72.36%0.05938%0.375CS..Hα-helixtrans-66.9-43.9176.1171.9-113.2000112.2D93 L94 K96 P97 L270 I271 E272 Q276 W277 K278D93-Y274 HydrophobicContact CB-CD1 4.49Å; D93-Y274 HydrophobicContact CB-CD2 4.38Å; D93-Y274 HydrophobicContact CB-CE1 4.03Å; D93-Y274 HydrophobicContact CB-CE2 3.91Å; D93-Y274 VanDerWaalsContact O-CD2 3.29Å; D93-Y274 WeakPolarHBondContact O-CD2 3.48Å; L94-Y274 HydrophobicContact CD2-CD1 4.3Å; L94-Y274 HydrophobicContact CD2-CG 4.22Å; K96-Y274 HydrophobicContact CD-CE2 3.98Å; P97-Y274 HydrophobicContact CG-CD2 4.15Å; L270-Y274 PolarHBondContact O-N 3.4Å; I271-Y274 PolarHBondContact O-N 3.21Å; E272-Y274 VanDerWaalsContact C-N 3.3Å; E272-Y274 PolarHBondContact O-N 3.26Å; Y274-Q276 VanDerWaalsContact C-N 3.32Å; Y274-Q276 PolarHBondContact O-N 3.15Å; Y274-W277 HydrophobicContact CD2-CE3 4.1Å; Y274-W277 AromaticContact CE2-CE3 3.98Å; Y274-W277 HydrophobicContact CE2-CE3 3.98Å; Y274-W277 HydrophobicContact CE2-CZ3 4.13Å; Y274-W277 PolarHBondContact O-N 3.16Å; Y274-K278 HydrophobicContact CE1-CD 4.47Å; Y274-K278 WeakPolarHBondContact O-CB 3.43Å; Y274-K278 PolarHBondContact O-N 2.88Å
275K93.5Very high85.8Confident72 Ų7273 Ų7331%0.31338%0.382SS..Hα-helixtrans-55.8-47174.1-74.9179.4174.7-172.10111.3E138 I271 E272 K278 M279E138-K275 IonicContact OE1-NZ 2.73Å; E138-K275 PolarHBondContact OE1-NZ 2.76Å; I271-K275 HydrophobicContact CG2-CD 4.35Å; I271-K275 WeakPolarHBondContact O-CG 3.31Å; I271-K275 PolarHBondContact O-N 3.07Å; E272-K275 PolarHBondContact O-N 3.49Å; K275-K278 PolarHBondContact O-N 2.82Å; K275-M279 WeakPolarHBondContact O-CG 3.41Å; K275-M279 PolarHBondContact O-N 3.38Å; K275-M279 VanDerWaalsContact O-N 3.08Å
276Q93.4Very high83.6Confident96 Ų9671 Ų7145%0.44937%0.372SS..Hα-helixtrans-62.9-46.6176.8-70.1174.315.600111.8E272 Y274 K278 M279 H280E272-Q276 WeakPolarHBondContact O-CG 3.49Å; E272-Q276 PolarHBondContact O-N 3.27Å; E272-Q276 PolarHBondContact OE1-NE2 3.16Å; Y274-Q276 VanDerWaalsContact C-N 3.32Å; Y274-Q276 PolarHBondContact O-N 3.15Å; Q276-K278 VanDerWaalsContact C-N 3.32Å; Q276-K278 PolarHBondContact O-N 3.04Å; Q276-M279 PolarHBondContact O-N 2.77Å; Q276-H280 PolarHBondContact O-N 2.82Å; Q276-H280 PolarHBondContact O-ND1 3.12Å
277W93.2Very high80.8Confident61 Ų6173 Ų7323%0.23139%0.386CS..Hα-helixtrans-57-45.1176.817890.5000111.9K96 P97 R273 Y274 M279 H280 M281K96-W277 HydrophobicContact CB-CD2 4.48Å; K96-W277 HydrophobicContact CB-CE3 4.29Å; K96-W277 HydrophobicContact CB-CH2 3.96Å; K96-W277 HydrophobicContact CB-CZ2 4.1Å; K96-W277 HydrophobicContact CB-CZ3 4.05Å; K96-W277 HydrophobicContact CD-CH2 4Å; K96-W277 HydrophobicContact CD-CZ3 3.89Å; K96-W277 HydrophobicContact CG-CH2 4.39Å; P97-W277 HydrophobicContact CB-CB 4Å; P97-W277 HydrophobicContact CB-CG 4.04Å; P97-W277 HydrophobicContact CG-CB 3.76Å; P97-W277 HydrophobicContact CG-CD2 4.38Å; P97-W277 HydrophobicContact CG-CG 3.91Å; R273-W277 WeakPolarHBondContact O-CB 3.42Å; R273-W277 PolarHBondContact O-N 3.38Å; Y274-W277 HydrophobicContact CD2-CE3 4.1Å; Y274-W277 AromaticContact CE2-CE3 3.98Å; Y274-W277 HydrophobicContact CE2-CE3 3.98Å; Y274-W277 HydrophobicContact CE2-CZ3 4.13Å; Y274-W277 PolarHBondContact O-N 3.16Å; W277-M279 VanDerWaalsContact C-N 3.35Å; W277-M279 PolarHBondContact O-N 3.33Å; W277-H280 PolarHBondContact O-N 3.04Å; W277-M281 HydrophobicContact CD2-CG 4.06Å; W277-M281 HydrophobicContact CE3-CG 4.47Å; W277-M281 HydrophobicContact CH2-CG 4.21Å; W277-M281 HydrophobicContact CZ2-CE 3.97Å; W277-M281 HydrophobicContact CZ2-CG 3.8Å; W277-M281 WeakPolarHBondContact O-CG 3.49Å; W277-M281 PolarHBondContact O-N 3.28Å; W277-M281 VanDerWaalsContact O-N 3.08Å
278K89.2Confident78.2Confident86 Ų8676.1 Ų76.137%0.37440%0.403SS..Hα-helixtrans-62.7-39178.9-170.3173.6-172.2156.50112.5Y274 K275 Q276 H280 D286Y274-K278 HydrophobicContact CE1-CD 4.47Å; Y274-K278 WeakPolarHBondContact O-CB 3.43Å; Y274-K278 PolarHBondContact O-N 2.88Å; K275-K278 PolarHBondContact O-N 2.82Å; Q276-K278 VanDerWaalsContact C-N 3.32Å; Q276-K278 PolarHBondContact O-N 3.04Å; K278-H280 VanDerWaalsContact C-N 3.33Å; K278-H280 PolarHBondContact O-N 3.38Å; K278-D286 WeakPolarHBondContact CE-OD2 3.47Å; K278-D286 IonicContact NZ-OD2 3.79Å; K278-D286 PolarHBondContact NZ-OD2 3.01Å
279M88.6Confident75.1Confident158 Ų15879.9 Ų79.978%0.77842%0.417SS*.Hα-helixtrans-64.4-35.6175.5-71.1179.37100112.8K275 Q276 W277K275-M279 WeakPolarHBondContact O-CG 3.41Å; K275-M279 PolarHBondContact O-N 3.38Å; K275-M279 VanDerWaalsContact O-N 3.08Å; Q276-M279 PolarHBondContact O-N 2.77Å; W277-M279 VanDerWaalsContact C-N 3.35Å; W277-M279 PolarHBondContact O-N 3.33Å
280H86.7Confident72.5Confident166 Ų16683.3 Ų83.377%0.76943%0.433SS*.Hα-helixtrans-78.4-32.5-179.6-71.283.9000113.2Q276 W277 K278 G282Q276-H280 PolarHBondContact O-N 2.82Å; Q276-H280 PolarHBondContact O-ND1 3.12Å; W277-H280 PolarHBondContact O-N 3.04Å; K278-H280 VanDerWaalsContact C-N 3.33Å; K278-H280 PolarHBondContact O-N 3.38Å; H280-G282 PolarHBondContact O-N 2.98Å
281M78.1Confident69.6Low108 Ų10887.4 Ų87.453%0.53245%0.454SS..Hα-helixtrans-78.4-5.9-179.3-68.9-63.6-167.100114W277W277-M281 HydrophobicContact CD2-CG 4.06Å; W277-M281 HydrophobicContact CE3-CG 4.47Å; W277-M281 HydrophobicContact CH2-CG 4.21Å; W277-M281 HydrophobicContact CZ2-CE 3.97Å; W277-M281 HydrophobicContact CZ2-CG 3.8Å; W277-M281 WeakPolarHBondContact O-CG 3.49Å; W277-M281 PolarHBondContact O-N 3.28Å; W277-M281 VanDerWaalsContact O-N 3.08Å
282G60.8Low66.4Low26 Ų2692.2 Ų92.227%0.26848%0.48SS..  trans73.3165-179.800000113.9H280 G284 S285H280-G282 PolarHBondContact O-N 2.98Å; G282-G284 PolarHBondContact O-N 3.04Å; G282-S285 PolarHBondContact O-N 3.36Å; G282-S285 PolarHBondContact O-OG 3.16Å
283P55.5Low63.3Low152 Ų15294.8 Ų94.899%0.98749%0.492SS*.THydrogen-bonded Turntrans-68.314.7-174.526.2-34.1000115.8
284G51.8Low60.2Low53 Ų5393.8 Ų93.855%0.54651%0.507SS..THydrogen-bonded Turntrans-116.3-1.6178.200000115.2G282 D286 S287G282-G284 PolarHBondContact O-N 3.04Å; G284-D286 VanDerWaalsContact C-N 3.32Å; G284-D286 PolarHBondContact O-N 3.25Å; G284-S287 PolarHBondContact O-N 3.44Å
285S49.1Very low57.2Low41 Ų41100.6 Ų100.629%0.28754%0.54SS..THydrogen-bonded Turntrans-77.1-15.4-177.962.90000114.8G282 S287G282-S285 PolarHBondContact O-N 3.36Å; G282-S285 PolarHBondContact O-OG 3.16Å; S285-S287 PolarHBondContact O-N 2.99Å
286D50.1Low54.1Low59 Ų59105 Ų10532%0.31656%0.561SS.*THydrogen-bonded Turntrans-86.421.7172.8-83-20.8000112.5K96 K278 G284 D288K96-D286 IonicContact NZ-OD1 2.88Å; K96-D286 PolarHBondContact NZ-OD1 2.95Å; K278-D286 WeakPolarHBondContact CE-OD2 3.47Å; K278-D286 IonicContact NZ-OD2 3.79Å; K278-D286 PolarHBondContact NZ-OD2 3.01Å; G284-D286 VanDerWaalsContact C-N 3.32Å; G284-D286 PolarHBondContact O-N 3.25Å; D286-D288 PolarHBondContact O-N 3.05Å
287S37.4Very low51.2Low66 Ų66106.6 Ų106.646%0.46257%0.573SS.*  trans-69.8118.417165.70000109G284 S285 Q289G284-S287 PolarHBondContact O-N 3.44Å; S285-S287 PolarHBondContact O-N 2.99Å; S287-Q289 PolarHBondContact O-N 2.76Å
288D42.5Very low48.3Very low66 Ų66110 Ų11035%0.35359%0.591SS.*  trans-51.763.2173.5-54.9-63.1000112.6R13 D286 E290R13-D288 IonicContact CZ-OD2 2.68Å; R13-D288 VanDerWaalsContact CZ-OD2 3.29Å; R13-D288 IonicContact NH1-OD2 2.67Å; R13-D288 PolarHBondContact NH1-OD2 2.88Å; R13-D288 IonicContact NH2-OD2 3.39Å; R13-D288 PolarHBondContact NH2-OD2 2.66Å; D286-D288 PolarHBondContact O-N 3.05Å; D288-E290 PolarHBondContact O-N 3.46Å
289Q33.1Very low45.5Very low139 Ų139115.3 Ų115.365%0.6562%0.617SS**THydrogen-bonded Turntrans-72.8-6.6-179.5-84.5-171.7-19.700113.1S287 D291S287-Q289 PolarHBondContact O-N 2.76Å; Q289-D291 VanDerWaalsContact C-N 3.35Å; Q289-D291 PolarHBondContact O-N 2.64Å
290E39.3Very low42.7Very low175 Ų175110.7 Ų110.782%0.81861%0.61SS**THydrogen-bonded Turntrans-79.6-12177.9-66.9-173.1-178.600114D288D288-E290 PolarHBondContact O-N 3.46Å
291D34.9Very low40Very low93 Ų93113.1 Ų113.150%0.49762%0.619SS.*SBendtrans-105.9-12.4178.4-74.7-17.5000114.5R16 Q289R16-D291 IonicContact NH1-OD2 2.64Å; R16-D291 PolarHBondContact NH1-OD2 3.01Å; Q289-D291 VanDerWaalsContact C-N 3.35Å; Q289-D291 PolarHBondContact O-N 2.64Å
292N29.6Very low37.7Very low104 Ų104111 Ų11156%0.55662%0.624SS**SBendtrans-93.1-5.8179.9-74.1-58.3000114.2A294N292-A294 VanDerWaalsContact C-N 3.29Å
293E30.7Very low36.2Very low145 Ų145116.7 Ų116.768%0.67864%0.644SS**SBendtrans-83.1-5.9173.3-65.3-165.9169.800113.1N297E293-N297 PolarHBondContact O-ND2 3.04Å
294A31.7Very low35.4Very low88 Ų88119 Ų11973%0.72763%0.633SS**SBendtrans-83.9-20.4171.600000113.5N292N292-A294 VanDerWaalsContact C-N 3.29Å
295E31.5Very low34.3Very low159 Ų159124.1 Ų124.174%0.74364%0.643SS**SBendtrans-108.6-0.9-177.2-71.9-167.7161.300114.6
296H29.4Very low33.5Very low164 Ų164129.5 Ų129.576%0.75966%0.658SS**SBendtrans-110.912176.8-93.6-53.2000115.9
297N31.2Very low32.5Very low130 Ų130132.7 Ų132.770%0.69568%0.682SS**  trans-94.726.2173.7-74-34000114.2E293 E299E293-N297 PolarHBondContact O-ND2 3.04Å; N297-E299 PolarHBondContact O-N 3.21Å
298E33.1Very low32.1Very low132 Ų132135.1 Ų135.162%0.61769%0.694SS**SBendtrans-77.5-1.1172.3-78-154.4154.600114.2
299E29.7Very low31.6Very low198 Ų198139.6 Ų139.693%0.92572%0.716SS**SBendtrans-124.566.2175.4-67.8-173.4172.500110.8N297N297-E299 PolarHBondContact O-N 3.21Å
300G30.1Very low31.6Very low61 Ų61144.3 Ų144.363%0.62973%0.728SS**  trans-174.536.6-176.900000116.1G302G300-G302 PolarHBondContact O-N 3.39Å
301F30.7Very low31.1Very low217 Ų217147.5 Ų147.595%0.95273%0.733SS**  trans-71.553.8164.9-112.7-93000110.3E303F301-E303 PolarHBondContact O-N 3.48Å
302G28.5Very low30.9Very low63 Ų63148.4 Ų148.465%0.64974%0.743SS**  trans-87.6100.1177.500000110.6G300G300-G302 PolarHBondContact O-N 3.39Å
303E30Very low30.8Very low145 Ų145149.4 Ų149.468%0.67876%0.759SS**  trans39.987.6144.5-148.5164.1-155.200118.2F301 E305F301-E303 PolarHBondContact O-N 3.48Å; E303-E305 HydrophobicContact CG-CG 4.23Å; E303-E305 PolarHBondContact O-N 3.06Å
304W38.7Very low30.8Very low200 Ų200145.8 Ų145.876%0.75876%0.76SS**  trans-63.198.4163.7-64.577.2000110.8R518W304-R518 VanDerWaalsContact CB-NH2 3.31Å; W304-R518 VanDerWaalsContact N-NH2 3.15Å; W304-R518 PolarHBondContact O-NH1 2.89Å; W304-R518 PolarHBondContact O-NH2 3.3Å
305E28.8Very low30.7Very low162 Ų162149.5 Ų149.576%0.75777%0.766SS**  trans-95.7119.7168.3-73.9-164.7145.800111.1E303E303-E305 HydrophobicContact CG-CG 4.23Å; E303-E305 PolarHBondContact O-N 3.06Å
306Y32.9Very low30.5Very low154 Ų154148.5 Ų148.560%0.60477%0.766SS**  trans-77.1135.1166.1-87.6-97.2000109T308Y306-T308 PolarHBondContact O-N 3.16Å
307P29.5Very low30.4Very low126 Ų126148.7 Ų148.782%0.81877%0.772SS**  trans-74.898.6-177.929.4-31.4000109.8
308T29.2Very low30.2Very low116 Ų116150 Ų15071%0.71278%0.776SS**  trans-141.1102.2163.2-55.20000109.5Y306Y306-T308 PolarHBondContact O-N 3.16Å
309I31.8Very low29.9Very low160 Ų160150.5 Ų150.582%0.82178%0.782SS**SBendtrans76.8104.1157.1-51.7167.7000119.1
310R32.2Very low29.8Very low239 Ų239148.1 Ų148.190%0.90278%0.776SS**  trans8.9111.9152.5-58.8-179.4178.8-172.1-0.9122.1
311R28.4Very low29.6Very low242 Ų242147.9 Ų147.991%0.91377%0.774SS**  29.4161.2126.6-66.8-167.9-169.7-1793.4121.6
312P30.9Very low29.3Very low111 Ų111144 Ų14472%0.72177%0.768SS**  cis-147.3157.72231.9-6.5000121
313S28.8Very low29.1Very low125 Ų125146.1 Ų146.187%0.87477%0.768SS**  trans67.6127140.6-50.60000124.2
314G29.1Very low28.8Very low69 Ų69148.1 Ų148.171%0.71178%0.775SS**  trans160.597.8143.400000120
315I29.7Very low28.2Very low167 Ų167147.1 Ų147.186%0.85678%0.781SS**  trans89.2130136.4-55.8166.5000121
316D27Very low27.8Very low137 Ų137149.4 Ų149.473%0.73379%0.788SS**  trans-64.9163.1-176.6-55.1-68.6000117.3
317L28.8Very low27.5Very low169 Ų169152.1 Ų152.189%0.88580%0.803SS**  -179.1155114.3-92.2151.4000113.7
318M26.4Very low27.2Very low158 Ų158154.9 Ų154.978%0.77880%0.802SS**  trans-100.6168.5-152.2-60.4165.4121.200116.6
319N27.3Very low27Very low141 Ų141156.7 Ų156.775%0.75481%0.806SS**  trans68.7147.5147-80.310.1000118.7
320D27.6Very low26.6Very low148 Ų148154.6 Ų154.679%0.79180%0.801SS**  cis-166.9153.524.9-150-15.2000111.3
321G25.3Very low26.3Very low57 Ų57150.7 Ų150.759%0.58880%0.796SS**  84.6108.2129.300000125
322T25.3Very low26.3Very low134 Ų134144.3 Ų144.382%0.82279%0.788SS**  96.892.7116.3-38.70000123.2
323V24.4Very low26Very low109 Ų109148.2 Ų148.266%0.66180%0.797SS**  63.1130.6109.6-179.70000124.7
324K23.9Very low26Very low186 Ų186147.1 Ų147.181%0.80979%0.789SS**  trans76.3146149.1-81.2164.1-158.5176.60119.2
325M24.8Very low25.8Very low180 Ų180150.8 Ų150.889%0.88779%0.793SS**  cis-153.9159.228.9-88.1-157.9-17100113.9
326K21.8Very low25.8Very low210 Ų210151.2 Ų151.291%0.91380%0.796SS**  trans-58.4150.7167-103.1170.9171.91690115.8
327K25.4Very low25.8Very low210 Ų210151.8 Ų151.891%0.91380%0.799SS**  trans-153.1131.1138.3-145.2173.5-174.7177.40113.2
328K22.7Very low25.8Very low184 Ų184150.8 Ų150.880%0.880%0.795SS**  trans-94.9141.9-178.5-175.3179.1-177.6178.50109.7
329I25.3Very low26Very low155 Ų155150.9 Ų150.980%0.79580%0.797SS**  trans-128.5130.7166.2-65.1176.3000108I331I329-I331 HydrophobicContact CG2-CG1 4.46Å
330T22.9Very low25.9Very low116 Ų116149.9 Ų149.971%0.71279%0.791SS**  trans-102.1138.9176.5-53.90000108.4
331I27.5Very low25.9Very low156 Ų156146.1 Ų146.180%0.878%0.781SS**  trans-133140.7163.8-61.2-179.2000109.1I329I329-I331 HydrophobicContact CG2-CG1 4.46Å
332S27.3Very low25.9Very low108 Ų108146.3 Ų146.376%0.75577%0.77SS**  trans-76.3151.5-168.546.90000116.2
333E25.3Very low25.8Very low194 Ų194144.3 Ų144.391%0.90776%0.758SS**  trans-72.8146.3171.2-66.9169.7154.700113.7
334S27.5Very low25.9Very low101 Ų101147 Ų14771%0.70676%0.756SS**  trans-163.1133.3148.660.70000111.8
335N25.5Very low26Very low146 Ų146144.5 Ų144.578%0.78175%0.75SS**  trans85.2104.9159.5-53.6-24.5000117.8
336L29.5Very low26.1Very low177 Ų177144.2 Ų144.293%0.92774%0.744SS**  trans-166.795.5133.1-101.4138.5000109.7
337D26.9Very low26.3Very low148 Ų148139.4 Ų139.479%0.79173%0.734SS**  trans-74.6158.5160.5-73.7-47.4000109.8
338D28.5Very low26.3Very low149 Ų149137 Ų13780%0.79773%0.73SS**  trans83.3102.5171.3-59.1-31.3000118
339I31.3Very low26.5Very low160 Ų160134.2 Ų134.282%0.82173%0.733SS**  171.3118.2115.1-79.7150000108.9
340N25Very low26.6Very low119 Ų119134 Ų13464%0.63673%0.732SS**  trans-130.8107.4-171.5-93.5-7.9000111.6K1K1-N340 HydrophobicContact CD-CB 3.5Å; K1-N340 VanDerWaalsContact CD-CB 3.5Å; K1-N340 VanDerWaalsContact CE-OD1 3.3Å; K1-N340 WeakPolarHBondContact CE-OD1 3.3Å; K1-N340 HydrophobicContact CG-CB 4.5Å; K1-N340 PolarHBondContact NZ-OD1 2.68Å
341A27.1Very low26.8Very low70 Ų70136.7 Ų136.758%0.57974%0.736SS**  trans-128.3151.8164.300000112.2K1K1-A341 WeakPolarHBondContact CE-O 3.45Å
342T26.6Very low26.9Very low60 Ų60136 Ų13637%0.36873%0.734SS.*  trans-127.3132.3175.8-56.90000108.5K1K1-T342 VanDerWaalsContact CG-OG1 3.27Å; K1-T342 WeakPolarHBondContact CG-OG1 3.31Å
343V23.6Very low27.1Very low93 Ų93137.9 Ų137.956%0.56474%0.736SS**  trans-116.9123.5172.5179.50000108.4I345V343-I345 HydrophobicContact CG1-CG1 4.13Å
344R26.1Very low27.3Very low166 Ų166137.9 Ų137.963%0.62674%0.736SS**  trans-103.5126.4165.8-86.2-177.5176.8172.2-3.1107.8
345I26.1Very low27.2Very low133 Ų133140.8 Ų140.868%0.68274%0.742SS**  trans-104.9113.6167.3-55.6-178.5000106.6V343V343-I345 HydrophobicContact CG1-CG1 4.13Å
346K25.2Very low27.3Very low174 Ų174139.8 Ų139.876%0.75774%0.743SS**  trans-91.7134.4169.2-81.6-176.41751800108.6L348K346-L348 PolarHBondContact O-N 3.21Å
347P27.4Very low27.1Very low108 Ų108135.3 Ų135.370%0.70173%0.732SS**  trans-68.5129.6164.8-4.720.4000108.7C349P347-C349 PolarHBondContact O-N 3.38Å
348L25Very low27.1Very low159 Ų159136.7 Ų136.783%0.83274%0.737SS**  trans-72.7106.7165.5-100.4102.7000108.4K346 I350K346-L348 PolarHBondContact O-N 3.21Å; L348-I350 PolarHBondContact O-N 3.47Å
349C27.4Very low27Very low126 Ų126133.1 Ų133.185%0.85174%0.735SS**  trans-77.8112.1156.6-86.70000108.3P347P347-C349 PolarHBondContact O-N 3.38Å
350I27.6Very low26.6Very low151 Ų151132.1 Ų132.177%0.77474%0.737SS**  trans-88.7104.7165.7-58.9174.7000106.9L348L348-I350 PolarHBondContact O-N 3.47Å
351Q25.5Very low26.5Very low173 Ų173135.1 Ų135.181%0.80875%0.752SS**  trans-111.5113.4157.8-80.3-175.9-1600107.4
352N31Very low26.4Very low142 Ų142136.1 Ų136.176%0.75976%0.755SS**  trans169.8113.5134.3-88.8-9.7000110.5
353D30.1Very low26.4Very low146 Ų146141.8 Ų141.878%0.78178%0.782SS**  28.7132.5129.6-72-22.7000121.1
354Q30.5Very low26.3Very low194 Ų194145 Ų14591%0.90780%0.796SS**  trans96.6102.1157.8-59.7-17812.700119.2
355I25.7Very low26.6Very low162 Ų162142.3 Ų142.383%0.83181%0.809SS**  trans-60.5144.7160-64.4169.6000108.8
356P27.1Very low26.7Very low126 Ų126139.3 Ų139.382%0.81881%0.811SS**  -151.416969.436.2-11.6000120.6
357A25.4Very low26.9Very low82 Ų82137.5 Ų137.568%0.67882%0.815SS**  trans-46.6156.6-177.600000118
358I27.3Very low26.9Very low177 Ų177137.3 Ų137.391%0.90882%0.816SS**  157.3134121.8-77.5155.2000109.2
359G25.6Very low27.1Very low74 Ų74135.1 Ų135.176%0.76381%0.813SS**  trans149.577.415900000116.3
360T22.9Very low27.2Very low139 Ų139137.7 Ų137.785%0.85382%0.816SS**  trans-80.2141.4168.3-41.80000110.8
361L23.9Very low27.3Very low182 Ų182134.1 Ų134.195%0.95382%0.817SS**  trans-125.8122.4161.2-90.3162000109.1
362S23.5Very low27.5Very low91 Ų91134.6 Ų134.664%0.63682%0.819SS**  trans-112.4146.7176172.60000109.1
363L27.1Very low27.6Very low180 Ų180134.3 Ų134.394%0.94282%0.817SS**  trans-117.6123.3167.2-79165.7000109.4
364N22.6Very low27.6Very low160 Ų160135.1 Ų135.186%0.85682%0.822SS**  trans-91142.8178.6-84.6-24.5000112.3
365A31Very low27.7Very low110 Ų110129.5 Ų129.591%0.90982%0.816SS**  trans-167.7135.1142.700000106.1
366G30Very low27.8Very low69 Ų69130.6 Ų130.671%0.71182%0.821SS**  cis159.2101.97.100000106.7
367T28.1Very low28.2Very low137 Ų137129 Ų12984%0.8482%0.819SS**  trans44.6117.1151.438.50000123.4
368S28.5Very low28.3Very low104 Ų104133 Ų13373%0.72783%0.829SS**  107.1139.2113.878.80000122
369C29.3Very low28.2Very low113 Ų113133.6 Ų133.676%0.76483%0.828SS**  trans93.292.7150.3-47.10000121.6
370I27.6Very low28.4Very low180 Ų180135.3 Ų135.392%0.92383%0.828SS**  22.9128.9127.1-52.5170.8000119.6
371G31.8Very low28.7Very low76 Ų76138.5 Ų138.578%0.78483%0.83SS**  trans168.6127.615500000114.4
372Q29.7Very low28.8Very low182 Ų182137.7 Ų137.785%0.8583%0.826SS**  trans-82.4167.1-170.5-67.2169.9-33.200115.2
373N32.8Very low29Very low136 Ų136138.6 Ų138.673%0.72783%0.832SS**  trans100.2110150.5-73.2-15.4000120.9
374N29.9Very low29.1Very low164 Ų164136.9 Ų136.988%0.87782%0.823SS**  trans43.9112.5132.7-67.5-7.1000119.9
375G31.4Very low29.4Very low76 Ų76136.5 Ų136.578%0.78482%0.821SS**  trans-172.6113.3159.800000110.7
376I29Very low29.4Very low184 Ų184138.2 Ų138.294%0.94482%0.815SS**  trans-66.3122.7177.2-65.9161.6000109.5
377A34.1Very low29.3Very low94 Ų94137.8 Ų137.878%0.77781%0.811SS**  trans-164135.3155.900000110.8
378D27.6Very low29.3Very low166 Ų166137.9 Ų137.989%0.88881%0.811SS**  trans-49.1122.5175.5-98.9-41.6000114.3
379E26.6Very low29.2Very low189 Ų189135.2 Ų135.288%0.88380%0.8SS**  trans-155.8113.8152.7-85.1-162156.200109.6
380S28.3Very low29.1Very low110 Ų110136.2 Ų136.277%0.76981%0.805SS**  trans175.193.4138.760.10000111.4
381K29.6Very low29Very low206 Ų206133.4 Ų133.490%0.89680%0.796SS**  trans-126.488.7146.9-98.5-170.9176.5-176.90107.8S383K381-S383 PolarHBondContact O-N 3.48Å; K381-S383 VanDerWaalsContact O-N 3.15Å
382L27.3Very low28.6Very low165 Ų165138.7 Ų138.786%0.86480%0.797SS**  trans-63.4101158.7-81.2148.6000107.5L384L382-L384 PolarHBondContact O-N 3.14Å
383S27.9Very low28.4Very low109 Ų109136.6 Ų136.676%0.76279%0.791SS**  trans-77.8106.8163.152.80000108K381 D385K381-S383 PolarHBondContact O-N 3.48Å; K381-S383 VanDerWaalsContact O-N 3.15Å; S383-D385 PolarHBondContact O-N 3.23Å; S383-D385 VanDerWaalsContact O-N 3.13Å
384L28.6Very low27.9Very low144 Ų144138 Ų13875%0.75479%0.793SS**  trans-65.3107.2162.6-97.389.9000108L382 N386L382-L384 PolarHBondContact O-N 3.14Å; L384-N386 PolarHBondContact O-N 3.44Å
385D29.5Very low27.6Very low153 Ų153134.8 Ų134.882%0.81878%0.779SS**  trans-75.494.9169-163.214.3000108.2S383 G387S383-D385 PolarHBondContact O-N 3.23Å; S383-D385 VanDerWaalsContact O-N 3.13Å; D385-G387 PolarHBondContact O-N 3.06Å; D385-G387 VanDerWaalsContact O-N 3.11Å
386N30.1Very low27.3Very low145 Ų145136.8 Ų136.878%0.77578%0.776SS**  trans-83.266.1171-80.8-18.9000109.3L384L384-N386 PolarHBondContact O-N 3.44Å
387G26.8Very low27Very low60 Ų60136.6 Ų136.662%0.61977%0.773SS**  trans-88.4102.516800000110.4D385 G389D385-G387 PolarHBondContact O-N 3.06Å; D385-G387 VanDerWaalsContact O-N 3.11Å; G387-G389 PolarHBondContact O-N 3.33Å; G387-G389 VanDerWaalsContact O-N 3.15Å
388V30Very low26.6Very low140 Ų140140.4 Ų140.485%0.84877%0.774SS**  trans-74.8101.3166.4179.80000107.3
389G25.6Very low26.6Very low47 Ų47137.2 Ų137.249%0.48577%0.771SS.*  trans-63.9155.1173.400000112.1G387 T391G387-G389 PolarHBondContact O-N 3.33Å; G387-G389 VanDerWaalsContact O-N 3.15Å; G389-T391 PolarHBondContact O-N 3.27Å; G389-T391 VanDerWaalsContact O-N 3.1Å
390P26.5Very low26.6Very low135 Ų135135.8 Ų135.888%0.87777%0.769SS**  trans-62.8116.3-178.725.3-32.4000110.1K392P390-K392 PolarHBondContact O-N 2.85Å
391T25.1Very low26.7Very low121 Ų121136.3 Ų136.374%0.74277%0.77SS**  trans-77.7114.7175.4-56.10000108.6G389 I393G389-T391 PolarHBondContact O-N 3.27Å; G389-T391 VanDerWaalsContact O-N 3.1Å; T391-I393 PolarHBondContact O-N 3.18Å
392K24Very low26.9Very low186 Ų186132.2 Ų132.281%0.80977%0.767SS**  trans-66.7111.2171-76.3180176.7176.80109.4P390 H394P390-K392 PolarHBondContact O-N 2.85Å; K392-H394 PolarHBondContact O-N 3.14Å
393I25Very low27.1Very low138 Ų138132.1 Ų132.171%0.70877%0.767SS**  trans-77.4111.7171.1-60.3176.1000108.4T391T391-I393 PolarHBondContact O-N 3.18Å
394H23.5Very low27.4Very low166 Ų166136.4 Ų136.477%0.76978%0.775SS**  trans-81.7119.5168-97.2-86000109.7K392 V396K392-H394 PolarHBondContact O-N 3.14Å; H394-V396 PolarHBondContact O-N 3.04Å
395V24.2Very low27.4Very low96 Ų96138.9 Ų138.958%0.58279%0.785SS**  trans-81.7111.5170.6-179.60000108.3M397V395-M397 HydrophobicContact CG1-CG 4.46Å
396V24Very low27.5Very low119 Ų119135.7 Ų135.772%0.72178%0.78SS**  trans-93.3115169.4-177.70000108H394 E398H394-V396 PolarHBondContact O-N 3.04Å; V396-E398 HydrophobicContact CG1-CG 4.29Å
397M23.3Very low27.6Very low179 Ų179136.3 Ų136.388%0.88278%0.783SS**  trans-89.7105.2168.7-73-173-74.700108.6V395V395-M397 HydrophobicContact CG1-CG 4.46Å
398E25.2Very low27.8Very low174 Ų174141.6 Ų141.681%0.81380%0.796SS**PPolyproline II helixtrans-96.3118.1164-83.9-177.8162.500109.6V396V396-E398 HydrophobicContact CG1-CG 4.29Å
399A27.3Very low27.7Very low100 Ų100146.4 Ų146.483%0.82680%0.799SS**PPolyproline II helixtrans-81.8120.4167.900000108.7
400L27.4Very low28.1Very low159 Ų159149.6 Ų149.683%0.83281%0.811SS**PPolyproline II helixtrans-88.2145.7165.5-76.2169.8000109.7
401P30.2Very low28.4Very low121 Ų121150.1 Ų150.179%0.78681%0.806SS**PPolyproline II helixtrans-78.3136.4-159.8-624000111.6
402S33.8Very low28.9Very low119 Ų119151.1 Ų151.183%0.83281%0.807SS**  trans-102.399.2169.3500000109.6
403D32.3Very low29.3Very low164 Ų164147 Ų14788%0.87780%0.802SS**  trans-84.3100.9159.1-84.4-27.9000108.2
404E33.2Very low29.7Very low199 Ų199144.6 Ų144.693%0.9380%0.803SS**  trans-172.490.4141-109.5-178.2164.500107.8
405M28.8Very low30.2Very low195 Ų195144.6 Ų144.696%0.96181%0.808SS**  trans-101.8125.5172.6-122.5-144.1-85.100109
406A31.5Very low30.6Very low86 Ų86148.6 Ų148.671%0.71182%0.821SS**  trans167.3112.9139.900000107.3
407L31.4Very low31Very low158 Ų158152 Ų15283%0.82783%0.828SS**  160.7115.493.7-78176.8000102.5
408L31Very low31.2Very low172 Ų172149.4 Ų149.490%0.90183%0.828SS**  -175.5145.770-89.5139.7000108.4
409R28.8Very low31.6Very low241 Ų241145 Ų14591%0.90982%0.821SS**  trans-85168.5-173.8-93.9-171.2-176.7-168.42.5114
410P33.9Very low31.5Very low113 Ų113146.1 Ų146.173%0.73482%0.821SS**  trans-103.5175.7-154.341.1-34.1000114.1
411N32.8Very low31.6Very low146 Ų146147.4 Ų147.478%0.78182%0.821SS**  trans-146.1133.5163.4-96.1-19.8000113.3
412N34.9Very low31.6Very low142 Ų142145.7 Ų145.776%0.75981%0.812SS**  trans72.7145.4147.3-61.3-9.6000119.1
413S33.6Very low31.5Very low100 Ų100149.9 Ų149.970%0.69982%0.815SS**  cis175.6135.4-26.647.20000104.3
414A33.5Very low31.4Very low88 Ų88150.3 Ų150.373%0.72781%0.812SS**  trans51.4116.8155.800000119.3
415D32.3Very low31.2Very low166 Ų166145.9 Ų145.989%0.88880%0.802SS**  -159.1133.8108.7-98.3-26.8000112.1
416Q33.2Very low31.4Very low180 Ų180143.8 Ų143.884%0.84180%0.795SS**  trans-83.6126178.8-66.6172-1.500109.1
417H33.5Very low31.6Very low189 Ų189142.6 Ų142.688%0.87578%0.781SS**  trans-145.5101.3148.3-96.9-73.9000109.3A419H417-A419 PolarHBondContact O-N 3.05Å
418S27.2Very low31.8Very low125 Ų125142 Ų14287%0.87477%0.774SS**  trans-72.1113162.965.50000108.7
419A32Very low32.2Very low81 Ų81137.7 Ų137.767%0.66976%0.755SS**  trans-133.6116.316000000108.4H417 F421H417-A419 PolarHBondContact O-N 3.05Å; A419-F421 PolarHBondContact O-N 2.96Å
420C25.5Very low32.6Very low124 Ų124130.9 Ų130.984%0.83874%0.737SS**  trans-51.3110.5176.5-178.40000111.6
421F29.7Very low32.7Very low186 Ų186135.2 Ų135.282%0.81674%0.738SS**  trans-106.896.7161.8-92.3-84.5000109.3A419 K423A419-F421 PolarHBondContact O-N 2.96Å; F421-K423 PolarHBondContact O-N 3.11Å
422S30.2Very low33.1Very low85 Ų85135.8 Ų135.859%0.59473%0.73SS**  trans-51.2129.4157.949.40000109.4Q424S422-Q424 PolarHBondContact O-N 3.1Å
423K31.6Very low33.6Very low208 Ų208133.4 Ų133.490%0.90472%0.717SS**  trans-51.497.4167-73.8177.5175.31780109.1F421 S425F421-K423 PolarHBondContact O-N 3.11Å; K423-S425 PolarHBondContact O-N 3.42Å
424Q30.3Very low34.3Very low173 Ų173134.7 Ų134.781%0.80872%0.716SS**  trans-67.7116.5165.8-85.8179.1-20.300107.3S422 L426S422-Q424 PolarHBondContact O-N 3.1Å; Q424-L426 PolarHBondContact O-N 2.98Å
425S29.5Very low35.3Very low105 Ų105134 Ų13473%0.73470%0.702SS**  trans-50.6126.5165.852.10000110K423 S427K423-S425 PolarHBondContact O-N 3.42Å; S425-S427 PolarHBondContact O-N 3.4Å
426L33.5Very low36.3Very low152 Ų152132.1 Ų132.180%0.79669%0.686SS**  trans-44.8115160.9-90.5127.6000108.4Q424Q424-L426 PolarHBondContact O-N 2.98Å
427S34.6Very low37.4Very low61 Ų61130.2 Ų130.243%0.42768%0.677SS.*  trans-64.6145.7-172.152.20000110.1S425 T429 D430S425-S427 PolarHBondContact O-N 3.4Å; S427-T429 PolarHBondContact O-N 3.17Å; S427-T429 PolarHBondContact OG-OG1 3.06Å; S427-D430 PolarHBondContact O-N 3.39Å
428Q36.9Very low38.7Very low144 Ų144129.3 Ų129.367%0.67367%0.666SS**Hα-helixtrans-58-7179.6-72-179.8-8.300114.4R432Q428-R432 VanDerWaalsContact O-CG 3.31Å; Q428-R432 WeakPolarHBondContact O-CG 3.49Å; Q428-R432 PolarHBondContact O-N 3.46Å
429T38.3Very low40.5Very low82 Ų82129 Ų12950%0.50365%0.646SS.*Hα-helixtrans-75-44.8179.835.80000112.9S427 R431 R432 D433S427-T429 PolarHBondContact O-N 3.17Å; S427-T429 PolarHBondContact OG-OG1 3.06Å; T429-R431 VanDerWaalsContact C-N 3.32Å; T429-R431 PolarHBondContact O-N 3.27Å; T429-R432 WeakPolarHBondContact O-CB 3.38Å; T429-R432 PolarHBondContact O-N 3.06Å; T429-D433 PolarHBondContact O-N 2.91Å
430D37.7Very low42.5Very low99 Ų99127.9 Ų127.953%0.52962%0.624SS.*Hα-helixtrans-66.6-34179.6-79.8-28.1000112.7S427 R432 N434S427-D430 PolarHBondContact O-N 3.39Å; D430-R432 VanDerWaalsContact C-N 3.28Å; D430-R432 PolarHBondContact O-N 3.47Å; D430-N434 PolarHBondContact O-N 3.04Å
431R35.6Very low44.8Very low204 Ų204127.8 Ų127.877%0.7761%0.606SS**Hα-helixtrans-68.1-26.7173.1-76.9-175.3176176.7-0.8112.9T429 V435T429-R431 VanDerWaalsContact C-N 3.32Å; T429-R431 PolarHBondContact O-N 3.27Å; R431-V435 WeakPolarHBondContact O-CG2 3.09Å
432R40.7Very low46.9Very low158 Ų158119.8 Ų119.860%0.59657%0.572SS**Hα-helixtrans-78.3-35.1179.2-78.8176-173.2-173.24.8111.7Q428 T429 D430 V435 K436Q428-R432 VanDerWaalsContact O-CG 3.31Å; Q428-R432 WeakPolarHBondContact O-CG 3.49Å; Q428-R432 PolarHBondContact O-N 3.46Å; T429-R432 WeakPolarHBondContact O-CB 3.38Å; T429-R432 PolarHBondContact O-N 3.06Å; D430-R432 VanDerWaalsContact C-N 3.28Å; D430-R432 PolarHBondContact O-N 3.47Å; R432-V435 PolarHBondContact O-N 3.02Å; R432-K436 WeakPolarHBondContact O-CG 3.4Å; R432-K436 PolarHBondContact O-N 3.13Å; R432-K436 VanDerWaalsContact O-N 3.07Å
433D47.1Very low49.3Very low91 Ų91115.8 Ų115.849%0.48754%0.543SS..Hα-helixtrans-74.6-39-178.7-70.6-26.5000112.3T429 V435 K436 H437T429-D433 PolarHBondContact O-N 2.91Å; D433-V435 VanDerWaalsContact C-N 3.29Å; D433-V435 PolarHBondContact O-N 3.46Å; D433-K436 PolarHBondContact O-N 2.73Å; D433-H437 PolarHBondContact O-N 2.95Å
434N47.7Very low51.7Low128 Ų128108.2 Ų108.268%0.68451%0.513SS*.Hα-helixtrans-61.6-34.8171.8-95-9.3000113.2D430 R438D430-N434 PolarHBondContact O-N 3.04Å; N434-R438 PolarHBondContact O-N 3.18Å; N434-R438 VanDerWaalsContact O-N 3.16Å
435V53.3Low53.9Low73 Ų73105.1 Ų105.144%0.44250%0.502SS..Hα-helixtrans-74-35.1177174.60000111.6R431 R432 D433 R439R431-V435 WeakPolarHBondContact O-CG2 3.09Å; R432-V435 PolarHBondContact O-N 3.02Å; D433-V435 VanDerWaalsContact C-N 3.29Å; D433-V435 PolarHBondContact O-N 3.46Å; V435-R439 WeakPolarHBondContact O-CG 3.2Å; V435-R439 PolarHBondContact O-N 3.13Å
436K54.1Low56.2Low127 Ų127104.1 Ų104.155%0.55249%0.491SS*.Hα-helixtrans-66.9-45.8174.6-78.8179.1177.8179.80111.8R432 D433 R438 R439 R440R432-K436 WeakPolarHBondContact O-CG 3.4Å; R432-K436 PolarHBondContact O-N 3.13Å; R432-K436 VanDerWaalsContact O-N 3.07Å; D433-K436 PolarHBondContact O-N 2.73Å; K436-R438 VanDerWaalsContact C-N 3.34Å; K436-R438 PolarHBondContact O-N 3.34Å; K436-R439 PolarHBondContact O-N 3.14Å; K436-R440 PolarHBondContact O-N 3Å
437H57.3Low58.5Low139 Ų13997.7 Ų97.764%0.64446%0.459SS*.Hα-helixtrans-62-40.4177.6-110.139.4000112.1D433 R439 R440D433-H437 PolarHBondContact O-N 2.95Å; H437-R439 VanDerWaalsContact C-N 3.33Å; H437-R439 PolarHBondContact O-N 2.99Å; H437-R440 PolarHBondContact O-N 3.03Å
438R59.9Low61.1Low171 Ų17195.7 Ų95.765%0.64544%0.443SS*.Hα-helixtrans-58.9-41.6176.4-110.4-177.2178.1-171.7-2.3113.5D46 N434 K436 R440D46-R438 IonicContact OD1-NH2 2.67Å; D46-R438 PolarHBondContact OD1-NH2 2.97Å; N434-R438 PolarHBondContact O-N 3.18Å; N434-R438 VanDerWaalsContact O-N 3.16Å; K436-R438 VanDerWaalsContact C-N 3.34Å; K436-R438 PolarHBondContact O-N 3.34Å; R438-R440 VanDerWaalsContact C-N 3.31Å; R438-R440 PolarHBondContact O-N 3.23Å
439R65.3Low63.4Low118 Ų11891.7 Ų91.745%0.44543%0.429SS..Hα-helixtrans-75.9-18.9-176.6-69.4-179.3-176.3-164.61.9113.8V435 K436 H437V435-R439 WeakPolarHBondContact O-CG 3.2Å; V435-R439 PolarHBondContact O-N 3.13Å; K436-R439 PolarHBondContact O-N 3.14Å; H437-R439 VanDerWaalsContact C-N 3.33Å; H437-R439 PolarHBondContact O-N 2.99Å
440R74.3Confident65.7Low57 Ų5793 Ų9322%0.21543%0.429CS..THydrogen-bonded Turntrans-92.4-2.5-178.3-113.3-179.5179.3166.9-1.3114.7K436 H437 R438 I442 L443 D444 L476 E479 D480K436-R440 PolarHBondContact O-N 3Å; H437-R440 PolarHBondContact O-N 3.03Å; R438-R440 VanDerWaalsContact C-N 3.31Å; R438-R440 PolarHBondContact O-N 3.23Å; R440-I442 PolarHBondContact O-N 3.29Å; R440-L443 HydrophobicContact CG-CD2 4.4Å; R440-L443 WeakPolarHBondContact O-CA 3.43Å; R440-L443 WeakPolarHBondContact O-CB 3.47Å; R440-L443 PolarHBondContact O-N 2.85Å; R440-D444 WeakPolarHBondContact CB-OD2 3.17Å; R440-D444 PolarHBondContact O-N 2.88Å; R440-L476 PolarHBondContact NH2-O 2.58Å; R440-E479 HydrophobicContact CG-CG 3.4Å; R440-E479 VanDerWaalsContact CG-CG 3.4Å; R440-E479 VanDerWaalsContact NE-CG 3.3Å; R440-D480 IonicContact CZ-OD1 3.61Å; R440-D480 VanDerWaalsContact CZ-OD1 3.24Å; R440-D480 IonicContact NH1-OD1 3.55Å; R440-D480 PolarHBondContact NH1-OD1 3.43Å; R440-D480 VanDerWaalsContact NH1-OD1 3.12Å; R440-D480 IonicContact NH2-OD1 2.78Å; R440-D480 PolarHBondContact NH2-OD1 2.93Å; R440-D480 IonicContact NH2-OD2 3.46Å; R440-D480 PolarHBondContact NH2-OD2 3.45Å
441R72.6Confident68Low123 Ų12388.6 Ų88.646%0.46441%0.405SS..Hα-helixtrans-55.2-45.9-167.8-156.7-177.8-144.3176.78.9114.6D46 L443 D444 N445D46-R441 IonicContact OD2-CZ 3.43Å; D46-R441 IonicContact OD2-NH1 2.67Å; D46-R441 PolarHBondContact OD2-NH1 2.67Å; D46-R441 IonicContact OD2-NH2 2.74Å; D46-R441 PolarHBondContact OD2-NH2 3.46Å; R441-L443 VanDerWaalsContact C-N 3.32Å; R441-L443 PolarHBondContact O-N 2.89Å; R441-D444 PolarHBondContact O-N 3.36Å; R441-N445 WeakPolarHBondContact CG-ND2 3.46Å; R441-N445 WeakPolarHBondContact O-CB 3.37Å; R441-N445 PolarHBondContact O-N 3Å
442I74Confident70.6Confident18 Ų1882.6 Ų82.69%0.09239%0.385CS..Hα-helixtrans-64.1-40.5177.8-73.6162.6000111I161 R440 T446 V447 E487 F490I161-I442 HydrophobicContact CD1-CD1 3.53Å; I161-I442 HydrophobicContact CD1-CG1 3.45Å; I161-I442 VanDerWaalsContact CD1-CG1 3.45Å; I161-I442 HydrophobicContact CG1-CD1 4.37Å; R440-I442 PolarHBondContact O-N 3.29Å; I442-T446 WeakPolarHBondContact O-CB 3.49Å; I442-T446 PolarHBondContact O-N 3.17Å; I442-V447 HydrophobicContact CG2-CG2 3.97Å; I442-V447 WeakPolarHBondContact O-CG2 3.46Å; I442-V447 PolarHBondContact O-N 3.3Å; I442-E487 HydrophobicContact CD1-CB 4.08Å; I442-E487 HydrophobicContact CD1-CG 4.01Å; I442-F490 HydrophobicContact CG2-CB 4.24Å; I442-F490 HydrophobicContact CG2-CD2 3.86Å; I442-F490 HydrophobicContact CG2-CG 4.29Å
443L81.2Confident72.7Confident0 Ų076.4 Ų76.40%037%0.366CS..Iπ-helixtrans-64.3-52.4178-174.963000109.9R440 R441 V447 L448 L475 L476 E479R440-L443 HydrophobicContact CG-CD2 4.4Å; R440-L443 WeakPolarHBondContact O-CA 3.43Å; R440-L443 WeakPolarHBondContact O-CB 3.47Å; R440-L443 PolarHBondContact O-N 2.85Å; R441-L443 VanDerWaalsContact C-N 3.32Å; R441-L443 PolarHBondContact O-N 2.89Å; L443-V447 HydrophobicContact CD1-CB 4.14Å; L443-V447 HydrophobicContact CD1-CG1 4.12Å; L443-V447 PolarHBondContact O-N 3.35Å; L443-L448 HydrophobicContact CD1-CD2 4.12Å; L443-L448 HydrophobicContact CD1-CG 3.97Å; L443-L448 HydrophobicContact CG-CD1 4.01Å; L443-L448 HydrophobicContact CG-CD2 4.44Å; L443-L448 HydrophobicContact CG-CG 3.92Å; L443-L448 WeakPolarHBondContact O-CB 3.48Å; L443-L448 VanDerWaalsContact O-CG 3.24Å; L443-L448 WeakPolarHBondContact O-CG 3.33Å; L443-L448 PolarHBondContact O-N 3.37Å; L443-L475 HydrophobicContact CD1-CB 3.92Å; L443-L476 HydrophobicContact CD2-CD2 4.17Å; L443-E479 HydrophobicContact CD2-CB 3.56Å; L443-E479 HydrophobicContact CD2-CG 3.61Å
444D81.8Confident74.6Confident50 Ų5073.6 Ų73.627%0.26735%0.35SS..Iπ-helixtrans-73.3-37.5-172.1-68.1-8.4000113.2R440 R441 P449R440-D444 WeakPolarHBondContact CB-OD2 3.17Å; R440-D444 PolarHBondContact O-N 2.88Å; R441-D444 PolarHBondContact O-N 3.36Å; D444-P449 WeakPolarHBondContact O-CD 3.18Å; D444-P449 WeakPolarHBondContact O-CG 3.35Å
445N76.8Confident76.5Confident107 Ų10768.5 Ų68.557%0.57232%0.323SS*.Iπ-helixtrans-98.7-15.3-172.6-62.2-7.9000114R441R441-N445 WeakPolarHBondContact CG-ND2 3.46Å; R441-N445 WeakPolarHBondContact O-CB 3.37Å; R441-N445 PolarHBondContact O-N 3Å
446T77.3Confident78.2Confident84 Ų8473.4 Ų73.452%0.51534%0.338SS..Iπ-helixtrans-126.6-57.2-175.9-48.90000111.8I442 F450I442-T446 WeakPolarHBondContact O-CB 3.49Å; I442-T446 PolarHBondContact O-N 3.17Å; T446-F450 WeakPolarHBondContact O-CB 3.43Å; T446-F450 PolarHBondContact O-N 3.07Å
447V82.6Confident79.7Confident18 Ų1873 Ų7311%0.10934%0.337CS..Iπ-helixtrans-75.5-45.4-169.3179.60000111.9I442 L443 L451 L475 F490I442-V447 HydrophobicContact CG2-CG2 3.97Å; I442-V447 WeakPolarHBondContact O-CG2 3.46Å; I442-V447 PolarHBondContact O-N 3.3Å; L443-V447 HydrophobicContact CD1-CB 4.14Å; L443-V447 HydrophobicContact CD1-CG1 4.12Å; L443-V447 PolarHBondContact O-N 3.35Å; V447-L451 HydrophobicContact CG1-CD1 3.93Å; V447-L451 HydrophobicContact CG1-CG 4.43Å; V447-L451 WeakPolarHBondContact O-CB 3.38Å; V447-L451 VanDerWaalsContact O-CG 3.28Å; V447-L451 WeakPolarHBondContact O-CG 3.38Å; V447-L451 PolarHBondContact O-N 3Å; V447-L475 HydrophobicContact CG1-CD1 3.71Å; V447-F490 HydrophobicContact CB-CE2 4.4Å; V447-F490 HydrophobicContact CB-CZ 4.47Å; V447-F490 HydrophobicContact CG1-CE2 4.2Å; V447-F490 HydrophobicContact CG1-CZ 3.93Å; V447-F490 HydrophobicContact CG2-CD2 3.89Å; V447-F490 HydrophobicContact CG2-CE1 4.24Å; V447-F490 HydrophobicContact CG2-CE2 3.47Å; V447-F490 VanDerWaalsContact CG2-CE2 3.47Å; V447-F490 HydrophobicContact CG2-CG 4.49Å; V447-F490 HydrophobicContact CG2-CZ 3.65Å
448L88.2Confident81Confident19 Ų1971 Ų7110%0.09932%0.323CS..Hα-helixtrans-66.8-45.9178.8-66.7177.5000112.3L443 F450 L451 E452 K472 L476L443-L448 HydrophobicContact CD1-CD2 4.12Å; L443-L448 HydrophobicContact CD1-CG 3.97Å; L443-L448 HydrophobicContact CG-CD1 4.01Å; L443-L448 HydrophobicContact CG-CD2 4.44Å; L443-L448 HydrophobicContact CG-CG 3.92Å; L443-L448 WeakPolarHBondContact O-CB 3.48Å; L443-L448 VanDerWaalsContact O-CG 3.24Å; L443-L448 WeakPolarHBondContact O-CG 3.33Å; L443-L448 PolarHBondContact O-N 3.37Å; L448-F450 VanDerWaalsContact C-N 3.31Å; L448-F450 PolarHBondContact O-N 2.93Å; L448-L451 PolarHBondContact O-N 3.06Å; L448-E452 WeakPolarHBondContact O-CB 3.38Å; L448-E452 VanDerWaalsContact O-CG 3.25Å; L448-E452 WeakPolarHBondContact O-CG 3.47Å; L448-E452 PolarHBondContact O-N 3.35Å; L448-K472 HydrophobicContact CD2-CD 4.46Å; L448-K472 HydrophobicContact CD2-CG 3.83Å; L448-L476 HydrophobicContact CD1-CD2 3.8Å; L448-L476 HydrophobicContact CD2-CD1 4.39Å; L448-L476 HydrophobicContact CD2-CD2 4.19Å; L448-L476 HydrophobicContact CD2-CG 4.11Å
449P85.5Confident81.9Confident59 Ų5965.7 Ų65.738%0.38331%0.313SS..Hα-helixtrans-57.3-42.8174.7-2837000112.7D444 E452 S453D444-P449 WeakPolarHBondContact O-CD 3.18Å; D444-P449 WeakPolarHBondContact O-CG 3.35Å; P449-E452 PolarHBondContact O-N 3.24Å; P449-S453 PolarHBondContact O-N 3.42Å
450F86Confident82.6Confident111 Ų11166.5 Ų66.549%0.48732%0.323SS..Hα-helixtrans-61.9-50.2175.4173.4-98.5000112.1T446 L448 E452 S453 E454T446-F450 WeakPolarHBondContact O-CB 3.43Å; T446-F450 PolarHBondContact O-N 3.07Å; L448-F450 VanDerWaalsContact C-N 3.31Å; L448-F450 PolarHBondContact O-N 2.93Å; F450-E452 VanDerWaalsContact C-N 3.25Å; F450-E452 PolarHBondContact O-N 3.49Å; F450-S453 WeakPolarHBondContact O-CB 3.36Å; F450-S453 PolarHBondContact O-N 3.08Å; F450-E454 HydrophobicContact CE1-CG 4.09Å; F450-E454 HydrophobicContact CE2-CG 4.16Å; F450-E454 HydrophobicContact CZ-CG 3.83Å; F450-E454 PolarHBondContact O-N 3.44Å
451L87.5Confident82.7Confident5 Ų571.2 Ų71.23%0.02635%0.348CS..Hα-helixtrans-61.5-35.8178.2-73173.7000111.9V447 L448 E454 L455 L468 L471 K472 L475V447-L451 HydrophobicContact CG1-CD1 3.93Å; V447-L451 HydrophobicContact CG1-CG 4.43Å; V447-L451 WeakPolarHBondContact O-CB 3.38Å; V447-L451 VanDerWaalsContact O-CG 3.28Å; V447-L451 WeakPolarHBondContact O-CG 3.38Å; V447-L451 PolarHBondContact O-N 3Å; L448-L451 PolarHBondContact O-N 3.06Å; L451-E454 PolarHBondContact O-N 3.46Å; L451-L455 WeakPolarHBondContact O-CB 3.37Å; L451-L455 WeakPolarHBondContact O-CD1 3.34Å; L451-L455 WeakPolarHBondContact O-CG 3.39Å; L451-L455 PolarHBondContact O-N 3.42Å; L451-L468 HydrophobicContact CD2-CD2 3.91Å; L451-L471 HydrophobicContact CD2-CD2 4.01Å; L451-K472 HydrophobicContact CD1-CB 4.12Å; L451-K472 HydrophobicContact CD1-CG 4.5Å; L451-L475 HydrophobicContact CD1-CD1 3.8Å
452E89Confident83.1Confident78 Ų7869.4 Ų69.436%0.36435%0.347SS..Hα-helixtrans-68.8-40.5175.6-75.1179.6178.400112.7L448 P449 F450 L455 K456 K472L448-E452 WeakPolarHBondContact O-CB 3.38Å; L448-E452 VanDerWaalsContact O-CG 3.25Å; L448-E452 WeakPolarHBondContact O-CG 3.47Å; L448-E452 PolarHBondContact O-N 3.35Å; P449-E452 PolarHBondContact O-N 3.24Å; F450-E452 VanDerWaalsContact C-N 3.25Å; F450-E452 PolarHBondContact O-N 3.49Å; E452-L455 PolarHBondContact O-N 2.93Å; E452-K456 VanDerWaalsContact O-CG 3.28Å; E452-K456 WeakPolarHBondContact O-CG 3.38Å; E452-K456 PolarHBondContact O-N 3.06Å; E452-K472 VanDerWaalsContact CG-NZ 3.28Å; E452-K472 IonicContact OE1-NZ 2.82Å; E452-K472 PolarHBondContact OE1-NZ 3.22Å
453S85.9Confident83.5Confident28 Ų2876.6 Ų76.620%0.19638%0.377CS..Hα-helixtrans-58.2-48.3171.3-174.70000110.6P449 F450 L455 K456 K457P449-S453 PolarHBondContact O-N 3.42Å; F450-S453 WeakPolarHBondContact O-CB 3.36Å; F450-S453 PolarHBondContact O-N 3.08Å; S453-L455 PolarHBondContact O-N 3.11Å; S453-K456 PolarHBondContact O-N 3.21Å; S453-K457 WeakPolarHBondContact O-CG 3.41Å; S453-K457 PolarHBondContact O-N 3.17Å
454E86.8Confident83.6Confident33 Ų3379 Ų7915%0.15439%0.393CS..Hα-helixtrans-66.3-33.9178.5-77.8-58.311600113.9F450 L451 K457 R458 L468F450-E454 HydrophobicContact CE1-CG 4.09Å; F450-E454 HydrophobicContact CE2-CG 4.16Å; F450-E454 HydrophobicContact CZ-CG 3.83Å; F450-E454 PolarHBondContact O-N 3.44Å; L451-E454 PolarHBondContact O-N 3.46Å; E454-K457 PolarHBondContact O-N 2.88Å; E454-K457 WeakPolarHBondContact OE1-CD 3.5Å; E454-K457 IonicContact OE1-NZ 2.65Å; E454-K457 PolarHBondContact OE1-NZ 3.42Å; E454-R458 WeakPolarHBondContact O-CD 3.43Å; E454-R458 WeakPolarHBondContact O-CG 3.23Å; E454-R458 IonicContact OE2-CZ 3.65Å; E454-R458 IonicContact OE2-NE 2.8Å; E454-R458 IonicContact OE2-NH2 2.83Å; E454-R458 PolarHBondContact OE2-NH2 2.82Å; E454-L468 HydrophobicContact CB-CD1 4Å
455L88.3Confident84Confident20 Ų2079 Ų7911%0.10539%0.39CS..Hα-helixtrans-68.6-37.7174.4-77.3165.8000111.8L451 E452 S453 K457 R458 Y465 L468 A469 K472L451-L455 WeakPolarHBondContact O-CB 3.37Å; L451-L455 WeakPolarHBondContact O-CD1 3.34Å; L451-L455 WeakPolarHBondContact O-CG 3.39Å; L451-L455 PolarHBondContact O-N 3.42Å; E452-L455 PolarHBondContact O-N 2.93Å; S453-L455 PolarHBondContact O-N 3.11Å; L455-K457 VanDerWaalsContact C-N 3.25Å; L455-K457 PolarHBondContact O-N 2.96Å; L455-R458 PolarHBondContact O-N 3.29Å; L455-Y465 HydrophobicContact CB-CE2 4.21Å; L455-Y465 HydrophobicContact CD2-CD2 3.59Å; L455-Y465 HydrophobicContact CD2-CE2 3.59Å; L455-Y465 HydrophobicContact CD2-CG 4.13Å; L455-L468 HydrophobicContact CD2-CB 3.76Å; L455-L468 HydrophobicContact CG-CB 4.22Å; L455-A469 HydrophobicContact CD2-CB 4.13Å; L455-K472 HydrophobicContact CD1-CD 4.02Å
456K87.1Confident84.4Confident176 Ų17681.9 Ų81.977%0.76539%0.392SS*.Hα-helixtrans-64.8-28.2177.4-75.1169.4-175.4171.80112.8E452 S453 R458E452-K456 VanDerWaalsContact O-CG 3.28Å; E452-K456 WeakPolarHBondContact O-CG 3.38Å; E452-K456 PolarHBondContact O-N 3.06Å; S453-K456 PolarHBondContact O-N 3.21Å; K456-R458 VanDerWaalsContact C-N 3.28Å; K456-R458 PolarHBondContact O-N 3.45Å
457K85.8Confident84.9Confident120 Ų12080.5 Ų80.552%0.52239%0.39SS..THydrogen-bonded Turntrans-76.4-8.3179.3-65.4172.6-167172.10113.9S453 E454 L455S453-K457 WeakPolarHBondContact O-CG 3.41Å; S453-K457 PolarHBondContact O-N 3.17Å; E454-K457 PolarHBondContact O-N 2.88Å; E454-K457 WeakPolarHBondContact OE1-CD 3.5Å; E454-K457 IonicContact OE1-NZ 2.65Å; E454-K457 PolarHBondContact OE1-NZ 3.42Å; L455-K457 VanDerWaalsContact C-N 3.25Å; L455-K457 PolarHBondContact O-N 2.96Å
458R84.4Confident85.2Confident96 Ų9681 Ų8136%0.36239%0.392SS..SBendtrans-124.6140.2-167.4-62.5172.2-170.8-100.22.8111.8E454 L455 K456 P464 Y465E454-R458 WeakPolarHBondContact O-CD 3.43Å; E454-R458 WeakPolarHBondContact O-CG 3.23Å; E454-R458 IonicContact OE2-CZ 3.65Å; E454-R458 IonicContact OE2-NE 2.8Å; E454-R458 IonicContact OE2-NH2 2.83Å; E454-R458 PolarHBondContact OE2-NH2 2.82Å; L455-R458 PolarHBondContact O-N 3.29Å; K456-R458 VanDerWaalsContact C-N 3.28Å; K456-R458 PolarHBondContact O-N 3.45Å; R458-P464 VanDerWaalsContact NH1-CB 3.27Å; R458-Y465 HydrophobicContact CB-CD2 4.34Å
459S79.8Confident85.2Confident60 Ų6080.9 Ų80.942%0.4239%0.393SS..  trans-63.6137.3171.2176.10000110.8E461 N462 Y465S459-E461 PolarHBondContact O-N 2.89Å; S459-E461 PolarHBondContact OG-N 2.92Å; S459-N462 WeakPolarHBondContact O-CB 3.37Å; S459-N462 PolarHBondContact O-N 3.31Å; S459-Y465 VanDerWaalsContact O-CB 3.25Å; S459-Y465 WeakPolarHBondContact O-CB 3.07Å
460M79.3Confident85.4Confident135 Ų13584.9 Ų84.967%0.66541%0.407SS*.THydrogen-bonded Turntrans-58.4-22.1178.7-68.8-156.8-177.300113.5N462 Y465M460-N462 VanDerWaalsContact C-N 3.34Å; M460-Y465 HydrophobicContact CB-CD1 4.25Å; M460-Y465 HydrophobicContact CB-CE1 4.04Å; M460-Y465 HydrophobicContact CG-CD1 4.46Å; M460-Y465 HydrophobicContact CG-CE1 3.88Å; M460-Y465 HydrophobicContact CG-CE2 3.99Å; M460-Y465 HydrophobicContact SD-CE1 4.48Å
461E77.2Confident85.7Confident156 Ų15683.5 Ų83.573%0.72940%0.404SS*.THydrogen-bonded Turntrans-80.4-16.8-178.7-62.4-177.9174.300112.7S459S459-E461 PolarHBondContact O-N 2.89Å; S459-E461 PolarHBondContact OG-N 2.92Å
462N80.7Confident85.9Confident84 Ų8485.5 Ų85.545%0.44941%0.412SS..SBendtrans-81.8140.5-173.3-68.9-11.3000112.2S459 M460 P464 Y465 R466S459-N462 WeakPolarHBondContact O-CB 3.37Å; S459-N462 PolarHBondContact O-N 3.31Å; M460-N462 VanDerWaalsContact C-N 3.34Å; N462-P464 VanDerWaalsContact C-CD 3.45Å; N462-P464 VanDerWaalsContact C-N 3.33Å; N462-Y465 WeakPolarHBondContact O-CB 2.96Å; N462-Y465 PolarHBondContact O-N 3.39Å; N462-R466 PolarHBondContact O-N 2.9Å
463K82.2Confident85.9Confident169 Ų16990.7 Ų90.774%0.73543%0.429SS*.Hα-helixtrans-51.7-41.4176.9-175.2-176.5179.3-172.90113.5Y465 R466 A467K463-Y465 PolarHBondContact O-N 3.25Å; K463-R466 PolarHBondContact O-N 3.38Å; K463-A467 PolarHBondContact O-N 3.27Å
464P82.5Confident86.1Confident50 Ų5091.6 Ų91.633%0.32544%0.438SS..Hα-helixtrans-62.2-35.7175.1-25.336.4000114.3R458 N462 A467 L468R458-P464 VanDerWaalsContact NH1-CB 3.27Å; N462-P464 VanDerWaalsContact C-CD 3.45Å; N462-P464 VanDerWaalsContact C-N 3.33Å; P464-A467 PolarHBondContact O-N 3.08Å; P464-L468 WeakPolarHBondContact O-CG 3.33Å; P464-L468 PolarHBondContact O-N 3.3Å
465Y90.9Very high86.3Confident52 Ų5290.7 Ų90.720%0.20443%0.434CS..Hα-helixtrans-62.3-46.5175.1177-86.1000110.6L455 R458 S459 M460 N462 K463 A467 L468 A469L455-Y465 HydrophobicContact CB-CE2 4.21Å; L455-Y465 HydrophobicContact CD2-CD2 3.59Å; L455-Y465 HydrophobicContact CD2-CE2 3.59Å; L455-Y465 HydrophobicContact CD2-CG 4.13Å; R458-Y465 HydrophobicContact CB-CD2 4.34Å; S459-Y465 VanDerWaalsContact O-CB 3.25Å; S459-Y465 WeakPolarHBondContact O-CB 3.07Å; M460-Y465 HydrophobicContact CB-CD1 4.25Å; M460-Y465 HydrophobicContact CB-CE1 4.04Å; M460-Y465 HydrophobicContact CG-CD1 4.46Å; M460-Y465 HydrophobicContact CG-CE1 3.88Å; M460-Y465 HydrophobicContact CG-CE2 3.99Å; M460-Y465 HydrophobicContact SD-CE1 4.48Å; N462-Y465 WeakPolarHBondContact O-CB 2.96Å; N462-Y465 PolarHBondContact O-N 3.39Å; K463-Y465 PolarHBondContact O-N 3.25Å; Y465-A467 VanDerWaalsContact C-N 3.31Å; Y465-A467 PolarHBondContact O-N 3.38Å; Y465-L468 PolarHBondContact O-N 3.46Å; Y465-A469 HydrophobicContact CE1-CB 4.46Å; Y465-A469 VanDerWaalsContact O-CB 3.28Å; Y465-A469 WeakPolarHBondContact O-CB 3.42Å; Y465-A469 PolarHBondContact O-N 3.33Å
466R85.9Confident86.3Confident166 Ų16692.2 Ų92.263%0.62644%0.442SS*.Hα-helixtrans-60.7-40.3177.5-63-176.1-173172.23.1112N462 K463 Q470N462-R466 PolarHBondContact O-N 2.9Å; K463-R466 PolarHBondContact O-N 3.38Å; R466-Q470 WeakPolarHBondContact O-CB 3.47Å; R466-Q470 PolarHBondContact O-N 3.3Å
467A87.1Confident86.4Confident55 Ų5586.6 Ų86.646%0.45543%0.428SS..Hα-helixtrans-65.7-47.2177.800000112.4K463 P464 Y465 A469 Q470 L471K463-A467 PolarHBondContact O-N 3.27Å; P464-A467 PolarHBondContact O-N 3.08Å; Y465-A467 VanDerWaalsContact C-N 3.31Å; Y465-A467 PolarHBondContact O-N 3.38Å; A467-A469 PolarHBondContact O-N 2.88Å; A467-Q470 WeakPolarHBondContact O-CB 3.46Å; A467-Q470 PolarHBondContact O-N 3.04Å; A467-L471 PolarHBondContact O-N 3.04Å
468L88.7Confident86.5Confident30 Ų3083.3 Ų83.316%0.15742%0.418CS..Hα-helixtrans-64.4-39.7176.7-74.7168.8000112L451 E454 L455 P464 Y465 Q470 L471 K472L451-L468 HydrophobicContact CD2-CD2 3.91Å; E454-L468 HydrophobicContact CB-CD1 4Å; L455-L468 HydrophobicContact CD2-CB 3.76Å; L455-L468 HydrophobicContact CG-CB 4.22Å; P464-L468 WeakPolarHBondContact O-CG 3.33Å; P464-L468 PolarHBondContact O-N 3.3Å; Y465-L468 PolarHBondContact O-N 3.46Å; L468-Q470 VanDerWaalsContact C-N 3.31Å; L468-Q470 PolarHBondContact O-N 2.84Å; L468-L471 PolarHBondContact O-N 2.85Å; L468-K472 PolarHBondContact O-N 3.13Å
469A87.9Confident86.6Confident16 Ų1678.8 Ų78.813%0.13240%0.401CS..Hα-helixtrans-64.5-37.8175.700000111.5L455 Y465 A467 R473L455-A469 HydrophobicContact CD2-CB 4.13Å; Y465-A469 HydrophobicContact CE1-CB 4.46Å; Y465-A469 VanDerWaalsContact O-CB 3.28Å; Y465-A469 WeakPolarHBondContact O-CB 3.42Å; Y465-A469 PolarHBondContact O-N 3.33Å; A467-A469 PolarHBondContact O-N 2.88Å; A469-R473 WeakPolarHBondContact O-CG 3.32Å; A469-R473 PolarHBondContact O-N 3.15Å; A469-R473 VanDerWaalsContact O-N 3.09Å
470Q90.7Very high86.9Confident142 Ų14281 Ų8166%0.66441%0.408SS*.Hα-helixtrans-66.6-41.5173.7-172.9175.47.100111.8R466 A467 L468 R473 A474R466-Q470 WeakPolarHBondContact O-CB 3.47Å; R466-Q470 PolarHBondContact O-N 3.3Å; A467-Q470 WeakPolarHBondContact O-CB 3.46Å; A467-Q470 PolarHBondContact O-N 3.04Å; L468-Q470 VanDerWaalsContact C-N 3.31Å; L468-Q470 PolarHBondContact O-N 2.84Å; Q470-R473 PolarHBondContact O-N 3.37Å; Q470-A474 WeakPolarHBondContact O-CB 3.48Å; Q470-A474 PolarHBondContact O-N 2.88Å
471L91.3Very high87.2Confident82 Ų8278.7 Ų78.743%0.42941%0.411SS..Hα-helixtrans-61.3-46.8174.8178.361.3000111.6L451 A467 L468 R473 A474 L475L451-L471 HydrophobicContact CD2-CD2 4.01Å; A467-L471 PolarHBondContact O-N 3.04Å; L468-L471 PolarHBondContact O-N 2.85Å; L471-R473 VanDerWaalsContact C-N 3.32Å; L471-R473 PolarHBondContact O-N 3.48Å; L471-A474 PolarHBondContact O-N 3.39Å; L471-A474 VanDerWaalsContact O-N 3.16Å; L471-L475 HydrophobicContact CD1-CD1 4.11Å; L471-L475 HydrophobicContact CD1-CG 4.23Å; L471-L475 HydrophobicContact CG-CD1 4.08Å; L471-L475 WeakPolarHBondContact O-CG 3.29Å; L471-L475 PolarHBondContact O-N 3.22Å
472K91.4Very high87.5Confident47 Ų4774.6 Ų74.620%0.20440%0.399CS..Hα-helixtrans-55-47.8175-175.6-179.5-178.21770111.3L448 L451 E452 L455 L468 L475 L476L448-K472 HydrophobicContact CD2-CD 4.46Å; L448-K472 HydrophobicContact CD2-CG 3.83Å; L451-K472 HydrophobicContact CD1-CB 4.12Å; L451-K472 HydrophobicContact CD1-CG 4.5Å; E452-K472 VanDerWaalsContact CG-NZ 3.28Å; E452-K472 IonicContact OE1-NZ 2.82Å; E452-K472 PolarHBondContact OE1-NZ 3.22Å; L455-K472 HydrophobicContact CD1-CD 4.02Å; L468-K472 PolarHBondContact O-N 3.13Å; K472-L475 PolarHBondContact O-N 3.25Å; K472-L476 HydrophobicContact CG-CD1 4.19Å; K472-L476 WeakPolarHBondContact O-CG 3.32Å; K472-L476 PolarHBondContact O-N 3.18Å; K472-L476 VanDerWaalsContact O-N 3.09Å
473R90.3Very high87.6Confident188 Ų18873.4 Ų73.471%0.70940%0.396SS*.Hα-helixtrans-63.8-41.1177.1-72.1177.3-167.9165.73.7112.4A469 Q470 L471 A477A469-R473 WeakPolarHBondContact O-CG 3.32Å; A469-R473 PolarHBondContact O-N 3.15Å; A469-R473 VanDerWaalsContact O-N 3.09Å; Q470-R473 PolarHBondContact O-N 3.37Å; L471-R473 VanDerWaalsContact C-N 3.32Å; L471-R473 PolarHBondContact O-N 3.48Å; R473-A477 VanDerWaalsContact O-CB 3.25Å; R473-A477 WeakPolarHBondContact O-CB 3.41Å; R473-A477 PolarHBondContact O-N 3.43Å
474A90.7Very high87.3Confident47 Ų4766.1 Ų66.139%0.38837%0.368SS..Hα-helixtrans-64.3-44179.600000111.6Q470 L471 A477 T478Q470-A474 WeakPolarHBondContact O-CB 3.48Å; Q470-A474 PolarHBondContact O-N 2.88Å; L471-A474 PolarHBondContact O-N 3.39Å; L471-A474 VanDerWaalsContact O-N 3.16Å; A474-A477 PolarHBondContact O-N 3.49Å; A474-T478 VanDerWaalsContact O-CB 3.31Å; A474-T478 WeakPolarHBondContact O-CB 2.94Å; A474-T478 PolarHBondContact O-N 2.86Å; A474-T478 PolarHBondContact O-OG1 3.37Å
475L89.1Confident87.5Confident14 Ų1466.6 Ų66.67%0.07337%0.365CS..Hα-helixtrans-64-47.2177.1-73166.9000111.7L443 V447 L451 L471 K472 A477 T478 E479 F485 F490L443-L475 HydrophobicContact CD1-CB 3.92Å; V447-L475 HydrophobicContact CG1-CD1 3.71Å; L451-L475 HydrophobicContact CD1-CD1 3.8Å; L471-L475 HydrophobicContact CD1-CD1 4.11Å; L471-L475 HydrophobicContact CD1-CG 4.23Å; L471-L475 HydrophobicContact CG-CD1 4.08Å; L471-L475 WeakPolarHBondContact O-CG 3.29Å; L471-L475 PolarHBondContact O-N 3.22Å; K472-L475 PolarHBondContact O-N 3.25Å; L475-A477 PolarHBondContact O-N 3.43Å; L475-T478 PolarHBondContact O-N 3.47Å; L475-E479 WeakPolarHBondContact O-CB 3.43Å; L475-E479 PolarHBondContact O-N 3.38Å; L475-F485 HydrophobicContact CD2-CE1 4.4Å; L475-F490 HydrophobicContact CD2-CE2 4.34Å; L475-F490 HydrophobicContact CD2-CZ 4.32Å
476L89.3Confident86.9Confident52 Ų5264.1 Ų64.127%0.27236%0.355SS..Hα-helixtrans-57.6-49.3175.6-76.1168.6000111.9R440 L443 L448 K472 T478 E479 D480R440-L476 PolarHBondContact NH2-O 2.58Å; L443-L476 HydrophobicContact CD2-CD2 4.17Å; L448-L476 HydrophobicContact CD1-CD2 3.8Å; L448-L476 HydrophobicContact CD2-CD1 4.39Å; L448-L476 HydrophobicContact CD2-CD2 4.19Å; L448-L476 HydrophobicContact CD2-CG 4.11Å; K472-L476 HydrophobicContact CG-CD1 4.19Å; K472-L476 WeakPolarHBondContact O-CG 3.32Å; K472-L476 PolarHBondContact O-N 3.18Å; K472-L476 VanDerWaalsContact O-N 3.09Å; L476-T478 VanDerWaalsContact C-N 3.34Å; L476-T478 PolarHBondContact O-N 3.32Å; L476-E479 PolarHBondContact O-N 2.84Å; L476-D480 PolarHBondContact O-N 3.32Å
477A88.9Confident86.3Confident57 Ų5760 Ų6047%0.47134%0.344SS..Hα-helixtrans-64.9-37179.700000112.6R473 A474 L475 D480 A481R473-A477 VanDerWaalsContact O-CB 3.25Å; R473-A477 WeakPolarHBondContact O-CB 3.41Å; R473-A477 PolarHBondContact O-N 3.43Å; A474-A477 PolarHBondContact O-N 3.49Å; L475-A477 PolarHBondContact O-N 3.43Å; A477-D480 PolarHBondContact O-N 3.17Å; A477-A481 VanDerWaalsContact O-CB 3.32Å; A477-A481 WeakPolarHBondContact O-CB 3.35Å; A477-A481 PolarHBondContact O-N 3.15Å
478T87.4Confident85.7Confident51 Ų5163.8 Ų63.831%0.31335%0.351SS..Hα-helixtrans-68.5-39.9176.8-52.90000110.6A474 L475 L476 A481 C482 F485A474-T478 VanDerWaalsContact O-CB 3.31Å; A474-T478 WeakPolarHBondContact O-CB 2.94Å; A474-T478 PolarHBondContact O-N 2.86Å; A474-T478 PolarHBondContact O-OG1 3.37Å; L475-T478 PolarHBondContact O-N 3.47Å; L476-T478 VanDerWaalsContact C-N 3.34Å; L476-T478 PolarHBondContact O-N 3.32Å; T478-A481 PolarHBondContact O-N 3.13Å; T478-C482 WeakPolarHBondContact O-CA 3.08Å; T478-C482 WeakPolarHBondContact O-CB 3.44Å; T478-C482 PolarHBondContact O-N 3.46Å; T478-F485 HydrophobicContact CG2-CB 4.16Å; T478-F485 HydrophobicContact CG2-CD1 3.41Å; T478-F485 VanDerWaalsContact CG2-CD1 3.41Å; T478-F485 HydrophobicContact CG2-CD2 3.79Å; T478-F485 HydrophobicContact CG2-CE1 3.67Å; T478-F485 HydrophobicContact CG2-CE2 4.02Å; T478-F485 HydrophobicContact CG2-CG 3.48Å; T478-F485 VanDerWaalsContact CG2-CG 3.48Å; T478-F485 HydrophobicContact CG2-CZ 3.96Å
479E87.2Confident85.2Confident2 Ų266.6 Ų66.61%0.00936%0.363CS..Hα-helixtrans-68.5-37176.5-167.865.3-147.400112.5R440 L443 L475 L476 A481 C482 P483 G484 S486R440-E479 HydrophobicContact CG-CG 3.4Å; R440-E479 VanDerWaalsContact CG-CG 3.4Å; R440-E479 VanDerWaalsContact NE-CG 3.3Å; L443-E479 HydrophobicContact CD2-CB 3.56Å; L443-E479 HydrophobicContact CD2-CG 3.61Å; L475-E479 WeakPolarHBondContact O-CB 3.43Å; L475-E479 PolarHBondContact O-N 3.38Å; L476-E479 PolarHBondContact O-N 2.84Å; E479-A481 VanDerWaalsContact C-N 3.35Å; E479-C482 CarbonylContact O-C 3.59Å; E479-P483 WeakPolarHBondContact O-CA 3.41Å; E479-G484 PolarHBondContact OE1-N 2.95Å; E479-S486 WeakPolarHBondContact OE2-CB 3.44Å; E479-S486 PolarHBondContact OE2-N 3.45Å; E479-S486 PolarHBondContact OE2-OG 2.8Å
480D85.4Confident84.8Confident106 Ų10667.9 Ų67.957%0.56737%0.365SS*.Hα-helixtrans-64.5-39.5172.2-79.3-40.6000111.6R440 L476 A477R440-D480 IonicContact CZ-OD1 3.61Å; R440-D480 VanDerWaalsContact CZ-OD1 3.24Å; R440-D480 IonicContact NH1-OD1 3.55Å; R440-D480 PolarHBondContact NH1-OD1 3.43Å; R440-D480 VanDerWaalsContact NH1-OD1 3.12Å; R440-D480 IonicContact NH2-OD1 2.78Å; R440-D480 PolarHBondContact NH2-OD1 2.93Å; R440-D480 IonicContact NH2-OD2 3.46Å; R440-D480 PolarHBondContact NH2-OD2 3.45Å; L476-D480 PolarHBondContact O-N 3.32Å; A477-D480 PolarHBondContact O-N 3.17Å
481A85.6Confident83.5Confident86 Ų8663.2 Ų63.271%0.71135%0.347SS*.Hα-helixtrans-76.1-33.5179.200000113.1A477 T478 E479A477-A481 VanDerWaalsContact O-CB 3.32Å; A477-A481 WeakPolarHBondContact O-CB 3.35Å; A477-A481 PolarHBondContact O-N 3.15Å; T478-A481 PolarHBondContact O-N 3.13Å; E479-A481 VanDerWaalsContact C-N 3.35Å
482C84.9Confident82.5Confident71 Ų7162.6 Ų62.648%0.4834%0.341SS..SBendtrans-138.383.6-176.8-169.90000110.3T478 E479 G484 F485T478-C482 WeakPolarHBondContact O-CA 3.08Å; T478-C482 WeakPolarHBondContact O-CB 3.44Å; T478-C482 PolarHBondContact O-N 3.46Å; E479-C482 CarbonylContact O-C 3.59Å; C482-G484 PolarHBondContact O-N 3.12Å; C482-F485 HydrophobicContact CB-CB 4.14Å; C482-F485 WeakPolarHBondContact O-CB 3.5Å; C482-F485 PolarHBondContact O-N 2.73Å
483P81.7Confident81.5Confident59 Ų5964.3 Ų64.338%0.38335%0.352SS..THydrogen-bonded Turntrans-61.5122-179.9-24.934.6000112.5E479E479-P483 WeakPolarHBondContact O-CA 3.41Å
484G76.3Confident80.1Confident15 Ų1560.7 Ų60.716%0.15535%0.347CS..THydrogen-bonded Turntrans99.80.6-172.100000113.9E479 C482 E487 H488E479-G484 PolarHBondContact OE1-N 2.95Å; C482-G484 PolarHBondContact O-N 3.12Å; G484-E487 PolarHBondContact O-N 3.48Å; G484-H488 PolarHBondContact O-N 3.35Å; G484-H488 VanDerWaalsContact O-N 3.09Å
485F86.3Confident78.6Confident60 Ų6063.8 Ų63.826%0.26335%0.348SS..Hα-helixtrans-58.5-50176.4167.8-95.7000111.6L475 T478 C482 E487 H488 F489L475-F485 HydrophobicContact CD2-CE1 4.4Å; T478-F485 HydrophobicContact CG2-CB 4.16Å; T478-F485 HydrophobicContact CG2-CD1 3.41Å; T478-F485 VanDerWaalsContact CG2-CD1 3.41Å; T478-F485 HydrophobicContact CG2-CD2 3.79Å; T478-F485 HydrophobicContact CG2-CE1 3.67Å; T478-F485 HydrophobicContact CG2-CE2 4.02Å; T478-F485 HydrophobicContact CG2-CG 3.48Å; T478-F485 VanDerWaalsContact CG2-CG 3.48Å; T478-F485 HydrophobicContact CG2-CZ 3.96Å; C482-F485 HydrophobicContact CB-CB 4.14Å; C482-F485 WeakPolarHBondContact O-CB 3.5Å; C482-F485 PolarHBondContact O-N 2.73Å; F485-E487 VanDerWaalsContact C-N 3.28Å; F485-E487 PolarHBondContact O-N 2.98Å; F485-H488 PolarHBondContact O-N 3.05Å; F485-F489 HydrophobicContact CD1-CB 4.44Å; F485-F489 HydrophobicContact CE1-CB 3.99Å; F485-F489 HydrophobicContact CE1-CG 4.15Å; F485-F489 HydrophobicContact CE2-CB 4.15Å; F485-F489 HydrophobicContact CE2-CD2 4.39Å; F485-F489 HydrophobicContact CZ-CB 3.83Å; F485-F489 AromaticContact CZ-CD2 3.87Å; F485-F489 HydrophobicContact CZ-CD2 3.87Å; F485-F489 AromaticContact CZ-CG 3.85Å; F485-F489 HydrophobicContact CZ-CG 3.85Å; F485-F489 VanDerWaalsContact O-CB 3.25Å; F485-F489 WeakPolarHBondContact O-CB 3.3Å; F485-F489 PolarHBondContact O-N 2.74Å
486S78.8Confident77.2Confident0 Ų066.1 Ų66.10%036%0.36CS..Hα-helixtrans-61-42.8-176.6-57.10000110.4E479 H488 F489 F490E479-S486 WeakPolarHBondContact OE2-CB 3.44Å; E479-S486 PolarHBondContact OE2-N 3.45Å; E479-S486 PolarHBondContact OE2-OG 2.8Å; S486-H488 PolarHBondContact O-N 2.89Å; S486-F489 PolarHBondContact O-N 2.9Å; S486-F490 WeakPolarHBondContact O-CB 3.45Å; S486-F490 WeakPolarHBondContact O-CD2 3.47Å; S486-F490 PolarHBondContact O-N 3.19Å
487E72.5Confident75.9Confident81 Ų8167.7 Ų67.738%0.37937%0.372SS..Hα-helixtrans-57.1-50.2175-179.4176.2-172.100111.9I442 G484 F485 T491I442-E487 HydrophobicContact CD1-CB 4.08Å; I442-E487 HydrophobicContact CD1-CG 4.01Å; G484-E487 PolarHBondContact O-N 3.48Å; F485-E487 VanDerWaalsContact C-N 3.28Å; F485-E487 PolarHBondContact O-N 2.98Å; E487-T491 WeakPolarHBondContact O-CB 3.09Å; E487-T491 PolarHBondContact O-N 3.45Å; E487-T491 VanDerWaalsContact O-N 3.11Å; E487-T491 PolarHBondContact O-OG1 3.11Å
488H74.8Confident74.2Confident134 Ų13468 Ų6862%0.6238%0.375SS*.Hα-helixtrans-65.5-47.5179.1-174.563.2000112.7G484 F485 S486 T491 E492G484-H488 PolarHBondContact O-N 3.35Å; G484-H488 VanDerWaalsContact O-N 3.09Å; F485-H488 PolarHBondContact O-N 3.05Å; S486-H488 PolarHBondContact O-N 2.89Å; H488-T491 PolarHBondContact O-N 3.27Å; H488-E492 WeakPolarHBondContact O-CB 3.41Å; H488-E492 PolarHBondContact O-N 2.67Å
489F78.5Confident72.5Confident89 Ų8971.4 Ų71.439%0.3939%0.385SS..Hα-helixtrans-60.8-51-176.5176.4-100.2000111.9F485 S486 E492 L493F485-F489 HydrophobicContact CD1-CB 4.44Å; F485-F489 HydrophobicContact CE1-CB 3.99Å; F485-F489 HydrophobicContact CE1-CG 4.15Å; F485-F489 HydrophobicContact CE2-CB 4.15Å; F485-F489 HydrophobicContact CE2-CD2 4.39Å; F485-F489 HydrophobicContact CZ-CB 3.83Å; F485-F489 AromaticContact CZ-CD2 3.87Å; F485-F489 HydrophobicContact CZ-CD2 3.87Å; F485-F489 AromaticContact CZ-CG 3.85Å; F485-F489 HydrophobicContact CZ-CG 3.85Å; F485-F489 VanDerWaalsContact O-CB 3.25Å; F485-F489 WeakPolarHBondContact O-CB 3.3Å; F485-F489 PolarHBondContact O-N 2.74Å; S486-F489 PolarHBondContact O-N 2.9Å; F489-E492 PolarHBondContact O-N 3.04Å; F489-L493 WeakPolarHBondContact O-CB 3.36Å; F489-L493 PolarHBondContact O-N 3.27Å
490F79Confident71Confident42 Ų4272.1 Ų72.118%0.18439%0.39CS..Hα-helixtrans-72.5-32.9-178.6-70.9-68.6000112.2I442 V447 L475 S486 L493 L494I442-F490 HydrophobicContact CG2-CB 4.24Å; I442-F490 HydrophobicContact CG2-CD2 3.86Å; I442-F490 HydrophobicContact CG2-CG 4.29Å; V447-F490 HydrophobicContact CB-CE2 4.4Å; V447-F490 HydrophobicContact CB-CZ 4.47Å; V447-F490 HydrophobicContact CG1-CE2 4.2Å; V447-F490 HydrophobicContact CG1-CZ 3.93Å; V447-F490 HydrophobicContact CG2-CD2 3.89Å; V447-F490 HydrophobicContact CG2-CE1 4.24Å; V447-F490 HydrophobicContact CG2-CE2 3.47Å; V447-F490 VanDerWaalsContact CG2-CE2 3.47Å; V447-F490 HydrophobicContact CG2-CG 4.49Å; V447-F490 HydrophobicContact CG2-CZ 3.65Å; L475-F490 HydrophobicContact CD2-CE2 4.34Å; L475-F490 HydrophobicContact CD2-CZ 4.32Å; S486-F490 WeakPolarHBondContact O-CB 3.45Å; S486-F490 WeakPolarHBondContact O-CD2 3.47Å; S486-F490 PolarHBondContact O-N 3.19Å; F490-L493 HydrophobicContact CD1-CD2 4.23Å; F490-L493 PolarHBondContact O-N 2.9Å; F490-L494 WeakPolarHBondContact O-CB 3.48Å; F490-L494 WeakPolarHBondContact O-CG 3.47Å; F490-L494 PolarHBondContact O-N 3.43Å
491T64.3Low69.3Low45 Ų4571.8 Ų71.828%0.27640%0.396SS..Hα-helixtrans-62.3-45172.8-60.70000111.5E487 H488 L494 R495E487-T491 WeakPolarHBondContact O-CB 3.09Å; E487-T491 PolarHBondContact O-N 3.45Å; E487-T491 VanDerWaalsContact O-N 3.11Å; E487-T491 PolarHBondContact O-OG1 3.11Å; H488-T491 PolarHBondContact O-N 3.27Å; T491-L494 PolarHBondContact O-N 3.27Å; T491-R495 WeakPolarHBondContact O-CB 3.42Å; T491-R495 PolarHBondContact O-N 3.14Å
492E69.2Low67.8Low69 Ų6970.6 Ų70.632%0.32238%0.383SS..Hα-helixtrans-71.4-37.4179.2-168.559.1-15900111.7H488 F489 L494 R495 L496H488-E492 WeakPolarHBondContact O-CB 3.41Å; H488-E492 PolarHBondContact O-N 2.67Å; F489-E492 PolarHBondContact O-N 3.04Å; E492-L494 VanDerWaalsContact C-N 3.35Å; E492-L494 PolarHBondContact O-N 3.36Å; E492-R495 WeakPolarHBondContact O-CB 3.46Å; E492-R495 PolarHBondContact O-N 3.02Å; E492-R495 WeakPolarHBondContact OE2-CD 3.32Å; E492-L496 HydrophobicContact CG-CD1 4.31Å; E492-L496 WeakPolarHBondContact O-CB 3.4Å; E492-L496 VanDerWaalsContact O-CG 3.3Å; E492-L496 WeakPolarHBondContact O-CG 3.45Å; E492-L496 PolarHBondContact O-N 3.3Å
493L71.3Confident66.1Low83 Ų8370.6 Ų70.644%0.43538%0.378SS..Hα-helixtrans-58.1-47.8172.4-169.379.1000111F489 F490 R495 L496 V497F489-L493 WeakPolarHBondContact O-CB 3.36Å; F489-L493 PolarHBondContact O-N 3.27Å; F490-L493 HydrophobicContact CD1-CD2 4.23Å; F490-L493 PolarHBondContact O-N 2.9Å; L493-R495 PolarHBondContact O-N 2.86Å; L493-L496 PolarHBondContact O-N 3.09Å; L493-V497 VanDerWaalsContact O-CG2 3.28Å; L493-V497 WeakPolarHBondContact O-CG2 3.29Å; L493-V497 PolarHBondContact O-N 3.48Å
494L60.8Low64.9Low112 Ų11271 Ų7159%0.58639%0.393SS*.Hα-helixtrans-61.3-42.6175.7-81.1162.9000111.6F490 T491 E492 L496 V497 A498F490-L494 WeakPolarHBondContact O-CB 3.48Å; F490-L494 WeakPolarHBondContact O-CG 3.47Å; F490-L494 PolarHBondContact O-N 3.43Å; T491-L494 PolarHBondContact O-N 3.27Å; E492-L494 VanDerWaalsContact C-N 3.35Å; E492-L494 PolarHBondContact O-N 3.36Å; L494-L496 VanDerWaalsContact C-N 3.35Å; L494-L496 PolarHBondContact O-N 3.36Å; L494-V497 PolarHBondContact O-N 2.65Å; L494-A498 WeakPolarHBondContact O-CB 3.44Å; L494-A498 PolarHBondContact O-N 3.47Å
495R58.2Low63.9Low111 Ų11173.1 Ų73.142%0.41940%0.4SS..Hα-helixtrans-59.9-44.8175.7-176.7-168.9159.699.73.3111.5T491 E492 L493 A498 F499T491-R495 WeakPolarHBondContact O-CB 3.42Å; T491-R495 PolarHBondContact O-N 3.14Å; E492-R495 WeakPolarHBondContact O-CB 3.46Å; E492-R495 PolarHBondContact O-N 3.02Å; E492-R495 WeakPolarHBondContact OE2-CD 3.32Å; L493-R495 PolarHBondContact O-N 2.86Å; R495-A498 PolarHBondContact O-N 3.02Å; R495-F499 WeakPolarHBondContact O-CB 3.32Å; R495-F499 PolarHBondContact O-N 3.12Å
496L60.4Low62.7Low63 Ų6372.6 Ų72.633%0.3340%0.404SS..Hα-helixtrans-65.6-39.3179.4-74.1167.6000112.3E492 L493 L494 N503E492-L496 HydrophobicContact CG-CD1 4.31Å; E492-L496 WeakPolarHBondContact O-CB 3.4Å; E492-L496 VanDerWaalsContact O-CG 3.3Å; E492-L496 WeakPolarHBondContact O-CG 3.45Å; E492-L496 PolarHBondContact O-N 3.3Å; L493-L496 PolarHBondContact O-N 3.09Å; L494-L496 VanDerWaalsContact C-N 3.35Å; L494-L496 PolarHBondContact O-N 3.36Å; L496-N503 WeakPolarHBondContact CD2-ND2 3.47Å
497V61.4Low61.8Low86 Ų8678.5 Ų78.552%0.52143%0.431SS..Hα-helixtrans-73-39177.6173.50000111.5L493 L494 F510L493-V497 VanDerWaalsContact O-CG2 3.28Å; L493-V497 WeakPolarHBondContact O-CG2 3.29Å; L493-V497 PolarHBondContact O-N 3.48Å; L494-V497 PolarHBondContact O-N 2.65Å; V497-F510 HydrophobicContact CG1-CZ 4.27Å
498A54Low61.5Low64 Ų6478.4 Ų78.453%0.52944%0.44SS..Hα-helixtrans-79.3-28.9-178.500000113.5L494 R495L494-A498 WeakPolarHBondContact O-CB 3.44Å; L494-A498 PolarHBondContact O-N 3.47Å; R495-A498 PolarHBondContact O-N 3.02Å
499F52.9Low61.1Low121 Ų12177.7 Ų77.753%0.53144%0.437SS..  trans-135.759.7-174.2-57.5-82.3000113.6R495 S501 S502R495-F499 WeakPolarHBondContact O-CB 3.32Å; R495-F499 PolarHBondContact O-N 3.12Å; F499-S501 PolarHBondContact O-N 3.37Å; F499-S501 VanDerWaalsContact O-N 3.11Å; F499-S502 WeakPolarHBondContact CB-OG 3.45Å; F499-S502 PolarHBondContact O-N 3.32Å; F499-S502 PolarHBondContact O-OG 2.88Å
500P53.7Low60.4Low18 Ų1876.2 Ų76.212%0.11743%0.43CS..G310 helixtrans-56.1-34.7179.519.4-29.9000112.4S502 N503 I505 F510P500-S502 VanDerWaalsContact C-N 3.28Å; P500-S502 PolarHBondContact O-N 3.01Å; P500-N503 PolarHBondContact O-N 3.44Å; P500-I505 CarbonylContact C-O 3.59Å; P500-I505 WeakPolarHBondContact O-CB 3.39Å; P500-I505 PolarHBondContact O-N 3.28Å; P500-I505 VanDerWaalsContact O-O 3.08Å; P500-F510 HydrophobicContact CB-CB 3.88Å; P500-F510 HydrophobicContact CB-CD2 3.89Å; P500-F510 HydrophobicContact CB-CG 3.9Å; P500-F510 HydrophobicContact CG-CB 4.37Å; P500-F510 HydrophobicContact CG-CD1 4.42Å; P500-F510 HydrophobicContact CG-CD2 4.35Å; P500-F510 HydrophobicContact CG-CG 4.12Å
501S51.4Low59.5Low98 Ų9877.6 Ų77.669%0.68544%0.437SS*.G310 helixtrans-66.2-24-179.5-33.90000114.4F499 N503F499-S501 PolarHBondContact O-N 3.37Å; F499-S501 VanDerWaalsContact O-N 3.11Å; S501-N503 VanDerWaalsContact C-N 3.29Å; S501-N503 PolarHBondContact O-N 3.49Å
502S53.7Low59.8Low62 Ų6278 Ų7843%0.43444%0.442SS..G310 helixtrans-76.1-17.2-17567.50000113.6F499 P500F499-S502 WeakPolarHBondContact CB-OG 3.45Å; F499-S502 PolarHBondContact O-N 3.32Å; F499-S502 PolarHBondContact O-OG 2.88Å; P500-S502 VanDerWaalsContact C-N 3.28Å; P500-S502 PolarHBondContact O-N 3.01Å
503N49.9Very low59.7Low71 Ų7176.3 Ų76.338%0.3844%0.443SS..G310 helixtrans-114.720.7-177-70.2-7.3000112.4L496 P500 S501 I505L496-N503 WeakPolarHBondContact CD2-ND2 3.47Å; P500-N503 PolarHBondContact O-N 3.44Å; S501-N503 VanDerWaalsContact C-N 3.29Å; S501-N503 PolarHBondContact O-N 3.49Å; N503-I505 PolarHBondContact O-N 3.1Å
504G55Low59.3Low68 Ų6875.1 Ų75.170%0.70144%0.439SS*.THydrogen-bonded Turntrans73.98.5179.300000114.9
505I56.5Low59.5Low59 Ų5976.1 Ų76.130%0.30344%0.441SS..  trans-84117.2174.1-57175.1000107.5P500 N503 Q509 F510P500-I505 CarbonylContact C-O 3.59Å; P500-I505 WeakPolarHBondContact O-CB 3.39Å; P500-I505 PolarHBondContact O-N 3.28Å; P500-I505 VanDerWaalsContact O-O 3.08Å; N503-I505 PolarHBondContact O-N 3.1Å; I505-Q509 HydrophobicContact CG2-CB 3.69Å; I505-F510 HydrophobicContact CG2-CB 4.2Å
506S60.9Low59.8Low49 Ų4977.1 Ų77.134%0.34345%0.448SS..  trans-64.5151.1174.869.80000110S508 Q509 F510S506-S508 PolarHBondContact O-N 2.93Å; S506-S508 VanDerWaalsContact O-N 3.1Å; S506-S508 PolarHBondContact OG-OG 3.49Å; S506-Q509 WeakPolarHBondContact O-CB 3.25Å; S506-Q509 PolarHBondContact O-N 3.02Å; S506-Q509 VanDerWaalsContact OG-CG 3.3Å; S506-Q509 WeakPolarHBondContact OG-CG 3.29Å; S506-Q509 PolarHBondContact OG-N 2.97Å; S506-Q509 VanDerWaalsContact OG-N 3.12Å; S506-F510 PolarHBondContact O-N 3.26Å
507Q58.8Low59.3Low123 Ų12380.1 Ų80.158%0.57546%0.464SS*.Hα-helixtrans-54.4-33175.2-168.9174.43.600111.9Q511Q507-Q511 WeakPolarHBondContact O-CB 3.47Å; Q507-Q511 WeakPolarHBondContact O-CG 3.35Å; Q507-Q511 PolarHBondContact O-N 3.41Å
508S67.6Low58.9Low79 Ų7981 Ų8155%0.55246%0.458SS*.Hα-helixtrans-67.7-38.9174.456.50000113.8S506 Q511 S512S506-S508 PolarHBondContact O-N 2.93Å; S506-S508 VanDerWaalsContact O-N 3.1Å; S506-S508 PolarHBondContact OG-OG 3.49Å; S508-Q511 PolarHBondContact O-N 2.98Å; S508-S512 WeakPolarHBondContact O-CB 3.29Å; S508-S512 PolarHBondContact O-N 3.38Å
509Q66.5Low58.9Low119 Ų11981 Ų8156%0.55645%0.454SS*.Hα-helixtrans-67.4-40.3175.7-77.9173.9-23.200111.3I505 S506 S512 G513I505-Q509 HydrophobicContact CG2-CB 3.69Å; S506-Q509 WeakPolarHBondContact O-CB 3.25Å; S506-Q509 PolarHBondContact O-N 3.02Å; S506-Q509 VanDerWaalsContact OG-CG 3.3Å; S506-Q509 WeakPolarHBondContact OG-CG 3.29Å; S506-Q509 PolarHBondContact OG-N 2.97Å; S506-Q509 VanDerWaalsContact OG-N 3.12Å; Q509-S512 PolarHBondContact O-N 2.96Å; Q509-G513 PolarHBondContact O-N 3.46Å
510F62.3Low58.5Low59 Ų5982.5 Ų82.526%0.25946%0.457SS..Hα-helixtrans-62.5-48.1174.5-176.9-99.1000111.4V497 P500 I505 S506 S512 G513 V514V497-F510 HydrophobicContact CG1-CZ 4.27Å; P500-F510 HydrophobicContact CB-CB 3.88Å; P500-F510 HydrophobicContact CB-CD2 3.89Å; P500-F510 HydrophobicContact CB-CG 3.9Å; P500-F510 HydrophobicContact CG-CB 4.37Å; P500-F510 HydrophobicContact CG-CD1 4.42Å; P500-F510 HydrophobicContact CG-CD2 4.35Å; P500-F510 HydrophobicContact CG-CG 4.12Å; I505-F510 HydrophobicContact CG2-CB 4.2Å; S506-F510 PolarHBondContact O-N 3.26Å; F510-S512 PolarHBondContact O-N 3.18Å; F510-G513 PolarHBondContact O-N 3.49Å; F510-G513 VanDerWaalsContact O-N 3.11Å; F510-V514 HydrophobicContact CD1-CG2 4.15Å; F510-V514 HydrophobicContact CE1-CG2 3.76Å; F510-V514 HydrophobicContact CZ-CG2 4Å; F510-V514 WeakPolarHBondContact O-CG2 3.48Å; F510-V514 PolarHBondContact O-N 3.32Å
511Q61Low58Low70 Ų7085.8 Ų85.833%0.32748%0.48SS..Hα-helixtrans-58.5-44.2176.4-79.6176.8-2700112.5Q507 S508 G513 V514 E515Q507-Q511 WeakPolarHBondContact O-CB 3.47Å; Q507-Q511 WeakPolarHBondContact O-CG 3.35Å; Q507-Q511 PolarHBondContact O-N 3.41Å; S508-Q511 PolarHBondContact O-N 2.98Å; Q511-G513 VanDerWaalsContact C-N 3.28Å; Q511-G513 PolarHBondContact O-N 3.28Å; Q511-V514 PolarHBondContact O-N 2.75Å; Q511-E515 PolarHBondContact O-N 2.95Å
512S70.4Confident57.7Low54 Ų5487 Ų8738%0.37848%0.484SS..Hα-helixtrans-61.4-36175.8-1760000112.6S508 Q509 F510 K516S508-S512 WeakPolarHBondContact O-CB 3.29Å; S508-S512 PolarHBondContact O-N 3.38Å; Q509-S512 PolarHBondContact O-N 2.96Å; F510-S512 PolarHBondContact O-N 3.18Å; S512-K516 WeakPolarHBondContact O-CG 3.14Å; S512-K516 PolarHBondContact O-N 2.87Å
513G67.5Low57.1Low33 Ų3388.4 Ų88.434%0.3449%0.493SS..Hα-helixtrans-65.4-44173.400000112.8Q509 F510 Q511 K516 L517Q509-G513 PolarHBondContact O-N 3.46Å; F510-G513 PolarHBondContact O-N 3.49Å; F510-G513 VanDerWaalsContact O-N 3.11Å; Q511-G513 VanDerWaalsContact C-N 3.28Å; Q511-G513 PolarHBondContact O-N 3.28Å; G513-K516 PolarHBondContact O-N 3.13Å; G513-L517 WeakPolarHBondContact O-CG 3.38Å; G513-L517 PolarHBondContact O-N 3.2Å
514V63Low56.3Low59 Ų5993.2 Ų93.236%0.35852%0.519SS..Hα-helixtrans-63.8-41.9176.4174.90000111.4F510 Q511 L517 R518F510-V514 HydrophobicContact CD1-CG2 4.15Å; F510-V514 HydrophobicContact CE1-CG2 3.76Å; F510-V514 HydrophobicContact CZ-CG2 4Å; F510-V514 WeakPolarHBondContact O-CG2 3.48Å; F510-V514 PolarHBondContact O-N 3.32Å; Q511-V514 PolarHBondContact O-N 2.75Å; V514-L517 PolarHBondContact O-N 2.96Å; V514-R518 PolarHBondContact O-N 3.31Å
515E64Low56.4Low133 Ų13394.5 Ų94.562%0.62151%0.509SS*.Hα-helixtrans-63.8-41.8175.9-77.8176.2173.700112.4Q511 L517 R518 S519Q511-E515 PolarHBondContact O-N 2.95Å; E515-L517 VanDerWaalsContact C-N 3.34Å; E515-L517 PolarHBondContact O-N 2.74Å; E515-R518 WeakPolarHBondContact O-CB 3.32Å; E515-R518 PolarHBondContact O-N 3.04Å; E515-S519 PolarHBondContact O-N 3.32Å
516K65.9Low56.3Low131 Ų13196.4 Ų96.457%0.5752%0.52SS*.Hα-helixtrans-59-46.4172.7-80.2179.3180178.20111.1S512 G513 R518 S519 Y520S512-K516 WeakPolarHBondContact O-CG 3.14Å; S512-K516 PolarHBondContact O-N 2.87Å; G513-K516 PolarHBondContact O-N 3.13Å; K516-R518 VanDerWaalsContact C-N 3.34Å; K516-R518 PolarHBondContact O-N 3.05Å; K516-S519 PolarHBondContact O-N 3.09Å; K516-S519 PolarHBondContact O-OG 3.08Å; K516-Y520 WeakPolarHBondContact O-CD2 3.13Å; K516-Y520 PolarHBondContact O-N 3.17Å; K516-Y520 VanDerWaalsContact O-N 3.11Å
517L49.9Very low56.1Low126 Ų12699 Ų9966%0.6653%0.53SS*.Hα-helixtrans-61.6-40.4177-74.3168.4000112.4G513 V514 E515 Y520 S521G513-L517 WeakPolarHBondContact O-CG 3.38Å; G513-L517 PolarHBondContact O-N 3.2Å; V514-L517 PolarHBondContact O-N 2.96Å; E515-L517 VanDerWaalsContact C-N 3.34Å; E515-L517 PolarHBondContact O-N 2.74Å; L517-Y520 PolarHBondContact O-N 3.2Å; L517-S521 PolarHBondContact O-N 2.99Å
518R52.2Low55.9Low106 Ų10697.6 Ų97.640%0.453%0.528SS..Hα-helixtrans-59.6-45.3172-99.3-172.5-171.2170.96.1112.6W304 V514 E515 K516 Y520 S521 T522W304-R518 VanDerWaalsContact CB-NH2 3.31Å; W304-R518 VanDerWaalsContact N-NH2 3.15Å; W304-R518 PolarHBondContact O-NH1 2.89Å; W304-R518 PolarHBondContact O-NH2 3.3Å; V514-R518 PolarHBondContact O-N 3.31Å; E515-R518 WeakPolarHBondContact O-CB 3.32Å; E515-R518 PolarHBondContact O-N 3.04Å; K516-R518 VanDerWaalsContact C-N 3.34Å; K516-R518 PolarHBondContact O-N 3.05Å; R518-Y520 PolarHBondContact O-N 2.97Å; R518-S521 WeakPolarHBondContact O-CA 3.45Å; R518-S521 WeakPolarHBondContact O-CB 3.37Å; R518-S521 PolarHBondContact O-N 3.08Å; R518-T522 PolarHBondContact O-N 3.33Å; R518-T522 PolarHBondContact O-OG1 3.06Å
519S54.1Low55.2Low63 Ų6398.8 Ų98.844%0.44153%0.526SS..Hα-helixtrans-62-31.817975.10000112.4E515 K516 T522 S523E515-S519 PolarHBondContact O-N 3.32Å; K516-S519 PolarHBondContact O-N 3.09Å; K516-S519 PolarHBondContact O-OG 3.08Å; S519-T522 PolarHBondContact O-OG1 2.76Å; S519-S523 WeakPolarHBondContact O-CB 3.35Å; S519-S523 PolarHBondContact O-N 2.95Å; S519-S523 PolarHBondContact O-OG 2.82Å
520Y45.2Very low54.5Low152 Ų15297.4 Ų97.460%0.59652%0.524SS*.Hα-helixtrans-70.5-39.7171.8-75.3-67.6000112K516 L517 R518 T522 S523 L524K516-Y520 WeakPolarHBondContact O-CD2 3.13Å; K516-Y520 PolarHBondContact O-N 3.17Å; K516-Y520 VanDerWaalsContact O-N 3.11Å; L517-Y520 PolarHBondContact O-N 3.2Å; R518-Y520 PolarHBondContact O-N 2.97Å; Y520-T522 VanDerWaalsContact C-N 3.34Å; Y520-T522 PolarHBondContact O-N 2.57Å; Y520-S523 PolarHBondContact O-N 3.16Å; Y520-S523 PolarHBondContact O-OG 2.74Å; Y520-L524 PolarHBondContact O-N 3.02Å; Y520-L524 VanDerWaalsContact O-N 3.13Å
521S41.5Very low53.9Low87 Ų87100.1 Ų100.161%0.60854%0.543SS*.Hα-helixtrans-66.6-27.7177.3-173.80000114.4L517 R518L517-S521 PolarHBondContact O-N 2.99Å; R518-S521 WeakPolarHBondContact O-CA 3.45Å; R518-S521 WeakPolarHBondContact O-CB 3.37Å; R518-S521 PolarHBondContact O-N 3.08Å
522T46.7Very low53.3Low125 Ų125102.5 Ų102.577%0.76756%0.559SS**Hα-helixtrans-87.1-13.317334.70000113.1R518 S519 Y520R518-T522 PolarHBondContact O-N 3.33Å; R518-T522 PolarHBondContact O-OG1 3.06Å; S519-T522 PolarHBondContact O-OG1 2.76Å; Y520-T522 VanDerWaalsContact C-N 3.34Å; Y520-T522 PolarHBondContact O-N 2.57Å
523S40.7Very low51.9Low90 Ų90106.5 Ų106.563%0.62958%0.575SS**Hα-helixtrans-94.9-13.9176.977.70000114.6S519 Y520S519-S523 WeakPolarHBondContact O-CB 3.35Å; S519-S523 PolarHBondContact O-N 2.95Å; S519-S523 PolarHBondContact O-OG 2.82Å; Y520-S523 PolarHBondContact O-N 3.16Å; Y520-S523 PolarHBondContact O-OG 2.74Å
524L32.6Very low50.5Low173 Ų173113.2 Ų113.291%0.90660%0.596SS**  trans-100.50177.4-90.8160000110.8Y520Y520-L524 PolarHBondContact O-N 3.02Å; Y520-L524 VanDerWaalsContact O-N 3.13Å

Retrieved 524 of 524 residues in 321.2 ms (Link to these results)

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