A0A087Y7G6_POEFO Loading...

phosphoinositide 5-phosphatase

AlphaFold DB , UniProt , Accession A0A087Y7G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 993 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
1M44.5Very low75.1Confident187 Ų18749.9 Ų49.992%0.92126%0.255SS*.  0157.20-141174.1-76.200107.4Q3 M60 I62M1-Q3 PolarHBondContact O-N 2.8Å; M1-M60 HydrophobicContact CE-CE 3.73Å; M1-M60 HydrophobicContact SD-CE 4.25Å; M1-I62 HydrophobicContact SD-CD1 4.04Å; M1-I62 HydrophobicContact SD-CG1 4.23Å
2D61.8Low75.5Confident31 Ų3147.4 Ų47.417%0.16625%0.251CS..  trans-90.793.8-166.4-169.5-7.9000113.3S4 V5 K23D2-S4 PolarHBondContact O-N 3.11Å; D2-S4 WeakPolarHBondContact OD1-CB 3.5Å; D2-S4 PolarHBondContact OD1-N 2.91Å; D2-S4 PolarHBondContact OD1-OG 3.35Å; D2-V5 HydrophobicContact CB-CG2 4.26Å; D2-V5 PolarHBondContact O-N 2.68Å; D2-K23 HydrophobicContact CB-CD 4.22Å; D2-K23 WeakPolarHBondContact OD2-CD 3.18Å; D2-K23 WeakPolarHBondContact OD2-CE 3.34Å; D2-K23 VanDerWaalsContact OD2-CG 3.25Å; D2-K23 WeakPolarHBondContact OD2-CG 3.32Å; D2-K23 IonicContact OD2-NZ 3.14Å; D2-K23 PolarHBondContact OD2-NZ 3.05Å
3Q71Confident75.3Confident36 Ų3660.8 Ų60.817%0.16831%0.305CS..Hα-helixtrans-74.3-8.7180-66.8175.6-28.800113.5M1 V5 A6 I7 A25 L40 A61M1-Q3 PolarHBondContact O-N 2.8Å; Q3-V5 VanDerWaalsContact C-N 3.26Å; Q3-V5 PolarHBondContact O-N 3.01Å; Q3-A6 PolarHBondContact O-N 3.44Å; Q3-I7 PolarHBondContact O-N 3.19Å; Q3-A25 HydrophobicContact CB-CB 4.07Å; Q3-L40 HydrophobicContact CB-CD1 4.08Å; Q3-L40 HydrophobicContact CB-CD2 3.94Å; Q3-A61 HydrophobicContact CG-CB 4.44Å
4S72.3Confident75.5Confident2 Ų267.9 Ų67.91%0.01434%0.337CS..Hα-helixtrans-71-23.2175.2730000112.8D2 I7 Q8D2-S4 PolarHBondContact O-N 3.11Å; D2-S4 WeakPolarHBondContact OD1-CB 3.5Å; D2-S4 PolarHBondContact OD1-N 2.91Å; D2-S4 PolarHBondContact OD1-OG 3.35Å; S4-I7 PolarHBondContact O-N 3.03Å; S4-Q8 WeakPolarHBondContact O-CB 3.37Å; S4-Q8 PolarHBondContact O-N 2.68Å
5V76.7Confident76.1Confident66 Ų6664.2 Ų64.240%0.432%0.318SS..Hα-helixtrans-64.1-49.4173.8-177.70000110.7D2 Q3 I7 Q8 E9D2-V5 HydrophobicContact CB-CG2 4.26Å; D2-V5 PolarHBondContact O-N 2.68Å; Q3-V5 VanDerWaalsContact C-N 3.26Å; Q3-V5 PolarHBondContact O-N 3.01Å; V5-I7 VanDerWaalsContact C-N 3.25Å; V5-I7 PolarHBondContact O-N 3.44Å; V5-Q8 PolarHBondContact O-N 3.18Å; V5-E9 WeakPolarHBondContact O-CG 3.43Å; V5-E9 PolarHBondContact O-N 3.31Å
6A80.7Confident76.3Confident0 Ų065.7 Ų65.70%033%0.328CS..Hα-helixtrans-56.9-37.9176.600000112.6Q3 A61 T63 V67Q3-A6 PolarHBondContact O-N 3.44Å; A6-A61 HydrophobicContact CB-CB 4.44Å; A6-T63 WeakPolarHBondContact CB-O 2.94Å; A6-V67 HydrophobicContact CB-CG1 4.06Å
7I83.4Confident76.2Confident0 Ų062 Ų620%031%0.31CS..Hα-helixtrans-66.7-50.7172.5-66.7-172.6000110.8Q3 S4 V5 E9 T10 C17 A25 L40 Y55Q3-I7 PolarHBondContact O-N 3.19Å; S4-I7 PolarHBondContact O-N 3.03Å; V5-I7 VanDerWaalsContact C-N 3.25Å; V5-I7 PolarHBondContact O-N 3.44Å; I7-E9 VanDerWaalsContact C-N 3.26Å; I7-E9 PolarHBondContact O-N 2.64Å; I7-T10 WeakPolarHBondContact O-CB 3.44Å; I7-T10 PolarHBondContact O-N 2.88Å; I7-T10 PolarHBondContact O-OG1 2.65Å; I7-C17 HydrophobicContact CG2-CB 4.16Å; I7-A25 HydrophobicContact CD1-CB 3.67Å; I7-A25 HydrophobicContact CG1-CB 4.48Å; I7-L40 HydrophobicContact CD1-CD2 3.92Å; I7-L40 HydrophobicContact CD1-CG 4.08Å; I7-L40 HydrophobicContact CG1-CD2 4.02Å; I7-Y55 HydrophobicContact CB-CE2 4.37Å; I7-Y55 HydrophobicContact CD1-CD2 3.91Å; I7-Y55 HydrophobicContact CD1-CE2 3.85Å; I7-Y55 HydrophobicContact CG1-CD2 4.07Å; I7-Y55 HydrophobicContact CG1-CE2 3.84Å; I7-Y55 HydrophobicContact CG2-CE2 3.86Å
8Q83.9Confident75.6Confident59 Ų5960.1 Ų60.128%0.27630%0.301SS..Hα-helixtrans-61.5-31.4-175.8-175.659.467.700113.2S4 V5 T10 L11 E15S4-Q8 WeakPolarHBondContact O-CB 3.37Å; S4-Q8 PolarHBondContact O-N 2.68Å; V5-Q8 PolarHBondContact O-N 3.18Å; Q8-T10 PolarHBondContact O-N 3.42Å; Q8-L11 PolarHBondContact O-N 3.21Å; Q8-E15 PolarHBondContact NE2-O 2.83Å
9E84.2Confident74.6Confident106 Ų10660.3 Ų60.350%0.49531%0.305SS..THydrogen-bonded Turntrans-65.5-20.4173.1-71.8-179.9171.900113.4V5 I7 T63 A64V5-E9 WeakPolarHBondContact O-CG 3.43Å; V5-E9 PolarHBondContact O-N 3.31Å; I7-E9 VanDerWaalsContact C-N 3.26Å; I7-E9 PolarHBondContact O-N 2.64Å; E9-T63 VanDerWaalsContact OE2-CA 3.23Å; E9-T63 WeakPolarHBondContact OE2-CA 3.4Å; E9-T63 WeakPolarHBondContact OE2-CB 3.32Å; E9-A64 HydrophobicContact CB-CB 3.73Å; E9-A64 PolarHBondContact OE2-N 2.84Å
10T82.6Confident72.7Confident39 Ų3964.3 Ų64.324%0.23933%0.326CS..THydrogen-bonded Turntrans-86.5-4.2174.571.20000114.1I7 Q8 Y55 A64 V67 Y148I7-T10 WeakPolarHBondContact O-CB 3.44Å; I7-T10 PolarHBondContact O-N 2.88Å; I7-T10 PolarHBondContact O-OG1 2.65Å; Q8-T10 PolarHBondContact O-N 3.42Å; T10-Y55 HydrophobicContact CG2-CE1 4.23Å; T10-Y55 PolarHBondContact OG1-OH 3.37Å; T10-A64 HydrophobicContact CG2-CB 3.84Å; T10-V67 HydrophobicContact CG2-CG2 3.9Å; T10-Y148 PolarHBondContact O-OH 2.89Å
11L84.5Confident71.2Confident23 Ų2367 Ų6712%0.1234%0.342CS..SBendtrans-95.8156.7-173.1-61.1-177.8000113.4Q8 E15 C17 V44 F53 Y148Q8-L11 PolarHBondContact O-N 3.21Å; L11-E15 HydrophobicContact CB-CB 4.06Å; L11-E15 WeakPolarHBondContact CB-O 3.05Å; L11-C17 HydrophobicContact CD1-CB 4.01Å; L11-C17 VanDerWaalsContact CD1-N 3.25Å; L11-V44 HydrophobicContact CD1-CG1 3.8Å; L11-V44 HydrophobicContact CD1-CG2 4.05Å; L11-V44 HydrophobicContact CD2-CG1 4.1Å; L11-V44 HydrophobicContact CD2-CG2 4.26Å; L11-F53 HydrophobicContact CD2-CD2 4.42Å; L11-F53 HydrophobicContact CD2-CE2 4.04Å; L11-Y148 WeakPolarHBondContact CA-OH 3.31Å
12G80.4Confident71.2Confident20 Ų2060 Ų6021%0.20631%0.31CS..  trans-73.8163.8172.700000113E14 E15 Y148G12-E14 PolarHBondContact O-N 2.92Å; G12-E15 WeakPolarHBondContact CA-OE2 3.2Å; G12-E15 PolarHBondContact N-OE2 2.88Å; G12-E15 PolarHBondContact O-N 3.2Å; G12-Y148 PolarHBondContact N-OH 2.89Å
13K72.8Confident70.8Confident221 Ų22164.5 Ų64.596%0.96133%0.329SS*.THydrogen-bonded Turntrans-59.6-14.3-176.3-72.8-170173.7-173.80116.4
14E78.6Confident70.2Confident161 Ų16163.8 Ų63.875%0.75233%0.325SS*.THydrogen-bonded Turntrans-115.74.2179.6-62.2-179.9-178.900112.2G12G12-E14 PolarHBondContact O-N 2.92Å
15E83.8Confident69.5Low12 Ų1264 Ų646%0.05633%0.328CS..  trans-110.4118.3-177.1-70.7152.8-168.600109.2Q8 L11 G12 V44 C46 W144 K147 Y148Q8-E15 PolarHBondContact NE2-O 2.83Å; L11-E15 HydrophobicContact CB-CB 4.06Å; L11-E15 WeakPolarHBondContact CB-O 3.05Å; G12-E15 WeakPolarHBondContact CA-OE2 3.2Å; G12-E15 PolarHBondContact N-OE2 2.88Å; G12-E15 PolarHBondContact O-N 3.2Å; E15-V44 HydrophobicContact CB-CG1 4.48Å; E15-C46 HydrophobicContact CB-CB 4.44Å; E15-C46 HydrophobicContact CG-CB 3.69Å; E15-W144 HydrophobicContact CG-CD2 4.45Å; E15-W144 HydrophobicContact CG-CE3 3.72Å; E15-W144 HydrophobicContact CG-CZ3 4.07Å; E15-K147 WeakPolarHBondContact OE1-CE 3.44Å; E15-K147 IonicContact OE1-NZ 3.86Å; E15-K147 PolarHBondContact OE1-NZ 2.74Å; E15-K147 WeakPolarHBondContact OE2-CE 3.07Å; E15-K147 IonicContact OE2-NZ 3.66Å; E15-K147 PolarHBondContact OE2-NZ 3.32Å; E15-Y148 PolarHBondContact OE2-OH 3.16Å
16N79Confident69.2Low88 Ų8861 Ų6147%0.47131%0.309SS..EExtended strand (participates in β ladder)trans-111.4124.9-177.3-58.4-84.7000108.7V44 E45N16-V44 CarbonylContact O-C 3.53Å; N16-V44 WeakPolarHBondContact O-CA 3.46Å; N16-E45 PolarHBondContact N-O 2.7Å; N16-E45 PolarHBondContact O-N 2.91Å
17C74.8Confident69.1Low3 Ų364.6 Ų64.62%0.0233%0.326CS..EExtended strand (participates in β ladder)trans-58.6137.2150.9-168.40000106.2I7 L11 V19 L43I7-C17 HydrophobicContact CG2-CB 4.16Å; L11-C17 HydrophobicContact CD1-CB 4.01Å; L11-C17 VanDerWaalsContact CD1-N 3.25Å; C17-V19 HydrophobicContact CB-CG2 4.07Å; C17-V19 PolarHBondContact O-N 2.94Å; C17-L43 CarbonylContact C-O 3.52Å; C17-L43 WeakPolarHBondContact CA-O 3.5Å
18I66.3Low68.9Low28 Ų2864.6 Ų64.614%0.14433%0.326CS..  trans-74.877.5-173.3-54.1-173.9000110.1L20 L43 E45I18-L20 PolarHBondContact O-N 3.26Å; I18-L43 HydrophobicContact CD1-CD2 3.77Å; I18-L43 HydrophobicContact CD1-CG 3.75Å; I18-L43 HydrophobicContact CG1-CG 4.2Å; I18-L43 PolarHBondContact N-O 3.03Å; I18-E45 HydrophobicContact CD1-CB 4.08Å; I18-E45 HydrophobicContact CG1-CB 3.97Å
19V56.7Low68.7Low63 Ų6363.6 Ų63.638%0.38232%0.323SS..  trans-101.260.4179.2-168.80000109C17C17-V19 HydrophobicContact CB-CG2 4.07Å; C17-V19 PolarHBondContact O-N 2.94Å
20L36.9Very low68.4Low141 Ų14158.8 Ų58.874%0.73830%0.3SS*.SBendtrans-116.8108.9173.3-80.7170.7000111I18I18-L20 PolarHBondContact O-N 3.26Å
21N41.1Very low67.8Low121 Ų12158.2 Ų58.265%0.64730%0.296SS*.SBendtrans81.2-19.1176.1-55.9-49.8000119
22C43.7Very low66.8Low39 Ų3961.4 Ų61.426%0.26431%0.312SS..SBendtrans-150.9162164.5-89.10000111.5H24C22-H24 WeakPolarHBondContact CB-CE1 3.46Å; C22-H24 WeakPolarHBondContact CB-NE2 3.3Å; C22-H24 PolarHBondContact O-N 3.08Å
23K53.3Low65.2Low126 Ų12668 Ų6855%0.54834%0.343SS..  trans-97.788.8-160.1-68.4172.3163.3-105.70112.5D2D2-K23 HydrophobicContact CB-CD 4.22Å; D2-K23 WeakPolarHBondContact OD2-CD 3.18Å; D2-K23 WeakPolarHBondContact OD2-CE 3.34Å; D2-K23 VanDerWaalsContact OD2-CG 3.25Å; D2-K23 WeakPolarHBondContact OD2-CG 3.32Å; D2-K23 IonicContact OD2-NZ 3.14Å; D2-K23 PolarHBondContact OD2-NZ 3.05Å
24H57.9Low64Low21 Ų2165.9 Ų65.910%0.09734%0.342CS..  trans-123.989.2-168.7-50.9131.4000114.3C22 L120C22-H24 WeakPolarHBondContact CB-CE1 3.46Å; C22-H24 WeakPolarHBondContact CB-NE2 3.3Å; C22-H24 PolarHBondContact O-N 3.08Å; H24-L120 WeakPolarHBondContact CE1-CB 3.27Å; H24-L120 WeakPolarHBondContact NE2-CD1 3.41Å
25A59.1Low62.7Low8 Ų862.1 Ų62.17%0.06633%0.333CS..EExtended strand (participates in β ladder)trans-92.1134.8133.900000106.8Q3 I7 L40 L41Q3-A25 HydrophobicContact CB-CB 4.07Å; I7-A25 HydrophobicContact CD1-CB 3.67Å; I7-A25 HydrophobicContact CG1-CB 4.48Å; A25-L40 HydrophobicContact CB-CD1 3.64Å; A25-L40 HydrophobicContact CB-CD2 4.09Å; A25-L40 HydrophobicContact CB-CG 3.89Å; A25-L41 CarbonylContact C-O 3.59Å; A25-L41 VanDerWaalsContact CA-O 3.29Å; A25-L41 WeakPolarHBondContact CA-O 3.3Å
26A69.8Low62.1Low1 Ų164.9 Ų64.91%0.00835%0.353CS..EExtended strand (participates in β ladder)trans-102.5116.9-17900000110.1L41 L112 F121A26-L41 HydrophobicContact CB-CB 4.43Å; A26-L41 PolarHBondContact N-O 3.33Å; A26-L41 WeakPolarHBondContact O-CB 3.45Å; A26-L41 PolarHBondContact O-N 2.81Å; A26-L112 HydrophobicContact CB-CD2 4.02Å; A26-F121 HydrophobicContact CB-CB 3.78Å; A26-F121 HydrophobicContact CB-CD1 3.72Å; A26-F121 HydrophobicContact CB-CD2 3.87Å; A26-F121 HydrophobicContact CB-CE1 4.26Å; A26-F121 HydrophobicContact CB-CE2 4.39Å; A26-F121 HydrophobicContact CB-CG 3.51Å
27Q78.1Confident62Low76 Ų7665.1 Ų65.136%0.35535%0.351SS..EExtended strand (participates in β ladder)trans-70.9143.7170.2-163.4174.97.900109.4N38 R39 L40 P113Q27-N38 WeakPolarHBondContact CG-OD1 3.29Å; Q27-N38 PolarHBondContact NE2-OD1 2.9Å; Q27-R39 CarbonylContact C-O 3.51Å; Q27-R39 WeakPolarHBondContact CA-O 3.38Å; Q27-L40 HydrophobicContact CB-CD1 4.46Å; Q27-P113 WeakPolarHBondContact O-CD 3.43Å
28C79.7Confident62.3Low0 Ų067.7 Ų67.70%037%0.365CS..EExtended strand (participates in β ladder)trans-151.4160.4176.266.60000111.4N38 R39 L41 R111 L112C28-N38 CarbonylContact O-C 3.57Å; C28-N38 WeakPolarHBondContact O-CA 3.12Å; C28-N38 PolarHBondContact O-ND2 3.43Å; C28-R39 PolarHBondContact N-O 2.91Å; C28-R39 PolarHBondContact O-N 2.79Å; C28-L41 HydrophobicContact CB-CD1 4.34Å; C28-R111 CarbonylContact C-O 3.55Å; C28-R111 VanDerWaalsContact CA-O 3.32Å; C28-R111 WeakPolarHBondContact CA-O 3.33Å; C28-L112 HydrophobicContact CB-CD2 3.84Å; C28-L112 HydrophobicContact CB-CG 4.25Å
29D79.1Confident63.3Low38 Ų3867.1 Ų67.120%0.20336%0.361CS..EExtended strand (participates in β ladder)trans-99.5125.7160.4-54.3-55.4000109.5L31 E37 N38 L110 R111D29-L31 HydrophobicContact CB-CD2 4.44Å; D29-E37 CarbonylContact C-O 3.58Å; D29-E37 WeakPolarHBondContact CA-O 3.32Å; D29-N38 WeakPolarHBondContact OD1-CA 3.18Å; D29-N38 WeakPolarHBondContact OD1-CB 3.3Å; D29-N38 PolarHBondContact OD1-ND2 3.12Å; D29-L110 CarbonylContact O-C 3.54Å; D29-R111 HydrophobicContact CB-CB 4.26Å; D29-R111 PolarHBondContact N-O 2.84Å; D29-R111 PolarHBondContact O-N 2.81Å
30I78Confident64.7Low5 Ų564.1 Ų64.13%0.02634%0.343CS..EExtended strand (participates in β ladder)trans-72.9132.6164.9-61.1-178.4000107.5L32 S36 E37 R39 I54 L108 L110I30-L32 HydrophobicContact CG2-CD2 4.18Å; I30-L32 HydrophobicContact CG2-CG 4.15Å; I30-S36 WeakPolarHBondContact O-CA 3.5Å; I30-E37 PolarHBondContact N-O 3.34Å; I30-E37 PolarHBondContact O-N 3.19Å; I30-R39 HydrophobicContact CD1-CG 3.63Å; I30-R39 HydrophobicContact CG1-CB 4.49Å; I30-R39 HydrophobicContact CG1-CG 3.86Å; I30-I54 HydrophobicContact CD1-CG2 4.39Å; I30-L108 HydrophobicContact CD1-CD1 4.31Å; I30-L108 HydrophobicContact CD1-CD2 4.41Å; I30-L108 HydrophobicContact CG2-CD1 3.65Å; I30-L108 HydrophobicContact CG2-CG 4.44Å; I30-L110 HydrophobicContact CB-CD2 4.49Å; I30-L110 HydrophobicContact CG1-CD2 3.76Å
31L70.9Confident67Low27 Ų2757.5 Ų57.514%0.14131%0.308CS..EExtended strand (participates in β ladder)trans-98.8114.9176.7-54-172.3000109.7D29 R98 E109 R111D29-L31 HydrophobicContact CB-CD2 4.44Å; L31-R98 HydrophobicContact CD1-CG 4.41Å; L31-E109 HydrophobicContact CD1-CG 4.44Å; L31-E109 PolarHBondContact N-O 2.83Å; L31-R111 HydrophobicContact CD1-CB 4.31Å; L31-R111 HydrophobicContact CD2-CB 4.12Å; L31-R111 VanDerWaalsContact CD2-NH2 3.34Å; L31-R111 HydrophobicContact CG-CB 4.31Å
32L62.7Low69.1Low91 Ų9151.7 Ų51.748%0.47628%0.277SS..EExtended strand (participates in β ladder)trans-114.8161.1171.3-59.5173.9000107.9I30 D34 C35I30-L32 HydrophobicContact CG2-CD2 4.18Å; I30-L32 HydrophobicContact CG2-CG 4.15Å; L32-D34 PolarHBondContact O-N 3.07Å; L32-C35 CarbonylContact C-O 3.54Å; L32-C35 PolarHBondContact N-O 3.41Å; L32-C35 PolarHBondContact O-N 3.29Å
33D48.1Very low71.1Confident157 Ų15750.1 Ų50.184%0.8427%0.266SS*.THydrogen-bonded Turntrans-53.9113.8-176-59.4-49.9000110.9C35D33-C35 VanDerWaalsContact C-N 3.26Å; D33-C35 PolarHBondContact O-N 3.43Å
34D46.3Very low72.7Confident177 Ų17744.1 Ų44.195%0.94724%0.24SC*.THydrogen-bonded Turntrans59.16.4-173.3-60-31.5000118.8L32L32-D34 PolarHBondContact O-N 3.07Å
35C52.2Low74Confident83 Ų8346.2 Ų46.256%0.56125%0.25SC*.EExtended strand (participates in β ladder)trans-131.8140.2178-84.90000113.5L32 D33L32-C35 CarbonylContact C-O 3.54Å; L32-C35 PolarHBondContact N-O 3.41Å; L32-C35 PolarHBondContact O-N 3.29Å; D33-C35 VanDerWaalsContact C-N 3.26Å; D33-C35 PolarHBondContact O-N 3.43Å
36S70.9Confident75.1Confident69 Ų6946.4 Ų46.448%0.48325%0.251SS..EExtended strand (participates in β ladder)trans-117.1120.5173.359.20000111.3I30I30-S36 WeakPolarHBondContact O-CA 3.5Å
37E77Confident75.5Confident93 Ų9350.6 Ų50.644%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-113.7128.8177.5-62.8-163.4-172.400112.7D29 I30 R39D29-E37 CarbonylContact C-O 3.58Å; D29-E37 WeakPolarHBondContact CA-O 3.32Å; I30-E37 PolarHBondContact N-O 3.34Å; I30-E37 PolarHBondContact O-N 3.19Å; E37-R39 VanDerWaalsContact CB-NH1 3.31Å; E37-R39 IonicContact OE2-CZ 2.72Å; E37-R39 IonicContact OE2-NH1 3.51Å; E37-R39 PolarHBondContact OE2-NH1 2.64Å; E37-R39 IonicContact OE2-NH2 2.58Å; E37-R39 PolarHBondContact OE2-NH2 3Å
38N81.3Confident75.1Confident58 Ų5853.3 Ų53.331%0.3130%0.296SS..EExtended strand (participates in β ladder)trans-75.3144.4-178.6-159-100.6000112.5Q27 C28 D29 H57Q27-N38 WeakPolarHBondContact CG-OD1 3.29Å; Q27-N38 PolarHBondContact NE2-OD1 2.9Å; C28-N38 CarbonylContact O-C 3.57Å; C28-N38 WeakPolarHBondContact O-CA 3.12Å; C28-N38 PolarHBondContact O-ND2 3.43Å; D29-N38 WeakPolarHBondContact OD1-CA 3.18Å; D29-N38 WeakPolarHBondContact OD1-CB 3.3Å; D29-N38 PolarHBondContact OD1-ND2 3.12Å; N38-H57 PolarHBondContact OD1-NE2 2.84Å; N38-H57 VanDerWaalsContact OD1-NE2 3.1Å
39R86.8Confident75.2Confident16 Ų1654.9 Ų54.96%0.0630%0.303CS..EExtended strand (participates in β ladder)trans-150.2165.1-174.9-69-59.3-171.7-81-2.6111.7Q27 C28 I30 E37 I54 Y55 E70Q27-R39 CarbonylContact C-O 3.51Å; Q27-R39 WeakPolarHBondContact CA-O 3.38Å; C28-R39 PolarHBondContact N-O 2.91Å; C28-R39 PolarHBondContact O-N 2.79Å; I30-R39 HydrophobicContact CD1-CG 3.63Å; I30-R39 HydrophobicContact CG1-CB 4.49Å; I30-R39 HydrophobicContact CG1-CG 3.86Å; E37-R39 VanDerWaalsContact CB-NH1 3.31Å; E37-R39 IonicContact OE2-CZ 2.72Å; E37-R39 IonicContact OE2-NH1 3.51Å; E37-R39 PolarHBondContact OE2-NH1 2.64Å; E37-R39 IonicContact OE2-NH2 2.58Å; E37-R39 PolarHBondContact OE2-NH2 3Å; R39-I54 HydrophobicContact CB-CG2 4.37Å; R39-I54 HydrophobicContact CG-CG2 4.29Å; R39-Y55 WeakPolarHBondContact CA-O 3.22Å; R39-Y55 WeakPolarHBondContact CD-O 3.47Å; R39-E70 IonicContact CZ-OE1 3.51Å; R39-E70 IonicContact CZ-OE2 3.46Å; R39-E70 IonicContact NE-OE1 2.74Å; R39-E70 IonicContact NE-OE2 3.47Å; R39-E70 PolarHBondContact NE-OE2 3.27Å; R39-E70 IonicContact NH2-OE1 2.79Å; R39-E70 PolarHBondContact NH2-OE1 3.12Å; R39-E70 IonicContact NH2-OE2 2.74Å; R39-E70 PolarHBondContact NH2-OE2 3.36Å
40L84.9Confident75.6Confident0 Ų054.1 Ų54.10%030%0.299CS..EExtended strand (participates in β ladder)trans-120.8127.9174.2-172.370.7000110.5Q3 I7 A25 Q27 Y55 V67Q3-L40 HydrophobicContact CB-CD1 4.08Å; Q3-L40 HydrophobicContact CB-CD2 3.94Å; I7-L40 HydrophobicContact CD1-CD2 3.92Å; I7-L40 HydrophobicContact CD1-CG 4.08Å; I7-L40 HydrophobicContact CG1-CD2 4.02Å; A25-L40 HydrophobicContact CB-CD1 3.64Å; A25-L40 HydrophobicContact CB-CD2 4.09Å; A25-L40 HydrophobicContact CB-CG 3.89Å; Q27-L40 HydrophobicContact CB-CD1 4.46Å; L40-Y55 PolarHBondContact N-O 3.08Å; L40-Y55 PolarHBondContact O-N 2.65Å; L40-V67 HydrophobicContact CD2-CG1 4.2Å
41L85.8Confident76Confident1 Ų153.9 Ų53.91%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-105.5130.2-179.7-52.7177.4000110.9A25 A26 C28 I52 F53 I54 L110 L112 F121A25-L41 CarbonylContact C-O 3.59Å; A25-L41 VanDerWaalsContact CA-O 3.29Å; A25-L41 WeakPolarHBondContact CA-O 3.3Å; A26-L41 HydrophobicContact CB-CB 4.43Å; A26-L41 PolarHBondContact N-O 3.33Å; A26-L41 WeakPolarHBondContact O-CB 3.45Å; A26-L41 PolarHBondContact O-N 2.81Å; C28-L41 HydrophobicContact CB-CD1 4.34Å; L41-I52 HydrophobicContact CB-CG2 4.34Å; L41-I52 HydrophobicContact CD2-CG2 4.33Å; L41-F53 WeakPolarHBondContact CA-O 3.35Å; L41-I54 HydrophobicContact CD2-CB 4.31Å; L41-I54 HydrophobicContact CD2-CD1 4.47Å; L41-I54 HydrophobicContact CD2-CG1 3.86Å; L41-I54 HydrophobicContact CD2-CG2 4.11Å; L41-L110 HydrophobicContact CD1-CD1 4.04Å; L41-L112 HydrophobicContact CD1-CD2 4.26Å; L41-F121 HydrophobicContact CB-CE1 4.19Å; L41-F121 HydrophobicContact CB-CE2 3.99Å; L41-F121 HydrophobicContact CB-CZ 3.58Å; L41-F121 HydrophobicContact CD1-CE1 3.68Å; L41-F121 HydrophobicContact CD1-CZ 3.85Å; L41-F121 HydrophobicContact CG-CZ 4.38Å
42G85.6Confident76.8Confident0 Ų052.6 Ų52.60%029%0.291CS..EExtended strand (participates in β ladder)trans-116.1129.8168.900000111I52 F53G42-I52 CarbonylContact O-C 3.57Å; G42-I52 WeakPolarHBondContact O-CA 3.3Å; G42-F53 PolarHBondContact N-O 3.27Å; G42-F53 PolarHBondContact O-N 3.11Å
43L86Confident78Confident6 Ų648.3 Ų48.33%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-88.8117.9168.7178.160.9000108.2C17 I18 I52 I75 F121 E124 V125C17-L43 CarbonylContact C-O 3.52Å; C17-L43 WeakPolarHBondContact CA-O 3.5Å; I18-L43 HydrophobicContact CD1-CD2 3.77Å; I18-L43 HydrophobicContact CD1-CG 3.75Å; I18-L43 HydrophobicContact CG1-CG 4.2Å; I18-L43 PolarHBondContact N-O 3.03Å; L43-I52 HydrophobicContact CD1-CG1 4.13Å; L43-I75 HydrophobicContact CD1-CD1 3.76Å; L43-F121 HydrophobicContact CB-CD2 4.47Å; L43-F121 HydrophobicContact CB-CE2 3.99Å; L43-E124 HydrophobicContact CD2-CB 3.89Å; L43-V125 HydrophobicContact CD1-CG2 4.31Å; L43-V125 HydrophobicContact CD2-CG2 4Å
44V85.7Confident79.9Confident0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-114.8129.3-173.3-174.90000110.4L11 E15 N16 H50 A51 F53 W144L11-V44 HydrophobicContact CD1-CG1 3.8Å; L11-V44 HydrophobicContact CD1-CG2 4.05Å; L11-V44 HydrophobicContact CD2-CG1 4.1Å; L11-V44 HydrophobicContact CD2-CG2 4.26Å; E15-V44 HydrophobicContact CB-CG1 4.48Å; N16-V44 CarbonylContact O-C 3.53Å; N16-V44 WeakPolarHBondContact O-CA 3.46Å; V44-H50 WeakPolarHBondContact O-CA 3.41Å; V44-A51 PolarHBondContact N-O 2.9Å; V44-A51 PolarHBondContact O-N 3.21Å; V44-F53 HydrophobicContact CB-CD1 3.89Å; V44-F53 HydrophobicContact CB-CE1 3.89Å; V44-F53 HydrophobicContact CG1-CE1 4.28Å; V44-F53 HydrophobicContact CG2-CB 4.26Å; V44-F53 HydrophobicContact CG2-CD1 3.59Å; V44-F53 HydrophobicContact CG2-CD2 4.37Å; V44-F53 HydrophobicContact CG2-CE1 3.98Å; V44-F53 HydrophobicContact CG2-CG 3.83Å; V44-W144 HydrophobicContact CB-CH2 4.08Å; V44-W144 HydrophobicContact CG1-CH2 3.65Å; V44-W144 HydrophobicContact CG1-CZ3 3.75Å
45E85.3Confident81.7Confident64 Ų6432.7 Ų32.730%0.29918%0.184SC..EExtended strand (participates in β ladder)trans-105135.3170.5-174.5-175.1176.700110.6N16 I18 E49N16-E45 PolarHBondContact N-O 2.7Å; N16-E45 PolarHBondContact O-N 2.91Å; I18-E45 HydrophobicContact CD1-CB 4.08Å; I18-E45 HydrophobicContact CG1-CB 3.97Å; E45-E49 WeakPolarHBondContact CA-O 3.16Å
46C81.9Confident83.3Confident12 Ų1230.2 Ų30.28%0.08117%0.167CC..EExtended strand (participates in β ladder)trans-143127.7162.9179.20000109.3E15 K48 E49 W144E15-C46 HydrophobicContact CB-CB 4.44Å; E15-C46 HydrophobicContact CG-CB 3.69Å; C46-K48 PolarHBondContact O-N 3.28Å; C46-K48 VanDerWaalsContact O-N 3.13Å; C46-E49 PolarHBondContact N-O 3.36Å; C46-E49 WeakPolarHBondContact O-CB 3.25Å; C46-E49 PolarHBondContact O-N 3.46Å; C46-W144 HydrophobicContact CB-CD2 3.58Å; C46-W144 HydrophobicContact CB-CE3 3.94Å; C46-W144 HydrophobicContact CB-CG 3.95Å; C46-W144 HydrophobicContact CB-CH2 4.2Å; C46-W144 HydrophobicContact CB-CZ2 3.88Å; C46-W144 HydrophobicContact CB-CZ3 4.23Å
47A78.4Confident83.8Confident89 Ų8929 Ų2974%0.73615%0.153SC*.THydrogen-bonded Turntrans50.335.8179.800000114.9E49A47-E49 PolarHBondContact O-N 3.43Å
48K71Confident83.7Confident134 Ų13431.9 Ų31.958%0.58316%0.16SC*.THydrogen-bonded Turntrans69.17.4-173.5-49.7-178178.3-172.60116.2C46C46-K48 PolarHBondContact O-N 3.28Å; C46-K48 VanDerWaalsContact O-N 3.13Å
49E82.1Confident82.7Confident33 Ų3341 Ų4115%0.15419%0.19CC..EExtended strand (participates in β ladder)trans-91.4134.3169.2-51.6-172.2145.700109.6E45 C46 A47 P140 K141 F142 W144E45-E49 WeakPolarHBondContact CA-O 3.16Å; C46-E49 PolarHBondContact N-O 3.36Å; C46-E49 WeakPolarHBondContact O-CB 3.25Å; C46-E49 PolarHBondContact O-N 3.46Å; A47-E49 PolarHBondContact O-N 3.43Å; E49-P140 HydrophobicContact CB-CB 4.32Å; E49-P140 HydrophobicContact CG-CB 3.84Å; E49-P140 WeakPolarHBondContact OE1-CA 3.3Å; E49-K141 PolarHBondContact OE1-N 3.33Å; E49-F142 HydrophobicContact CB-CD1 3.98Å; E49-F142 HydrophobicContact CB-CE1 3.67Å; E49-F142 HydrophobicContact CB-CZ 4.25Å; E49-F142 PolarHBondContact OE1-N 3.27Å; E49-F142 WeakPolarHBondContact OE2-CA 3.43Å; E49-F142 PolarHBondContact OE2-N 2.86Å; E49-W144 PolarHBondContact OE2-NE1 2.75Å
50H85.8Confident81.7Confident22 Ų2245.8 Ų45.810%0.10222%0.215CC..EExtended strand (participates in β ladder)trans-116.9138.6-173.7-59.7111.2000112.4V44 I75 A128 F142V44-H50 WeakPolarHBondContact O-CA 3.41Å; H50-I75 HydrophobicContact CB-CB 4.27Å; H50-I75 HydrophobicContact CB-CD1 4Å; H50-I75 WeakPolarHBondContact O-CB 3.48Å; H50-I75 PolarHBondContact O-N 3.15Å; H50-A128 HydrophobicContact CB-CB 3.9Å; H50-F142 VanDerWaalsContact O-CE1 3.25Å; H50-F142 WeakPolarHBondContact O-CE1 3.5Å
51A87Confident81Confident0 Ų045.9 Ų45.90%022%0.216CC..EExtended strand (participates in β ladder)trans-148.2149174.300000112.2V44 F53 I72 L73 F142 W144 I145V44-A51 PolarHBondContact N-O 2.9Å; V44-A51 PolarHBondContact O-N 3.21Å; A51-F53 HydrophobicContact CB-CD1 4.36Å; A51-F53 HydrophobicContact CB-CE1 4.14Å; A51-I72 HydrophobicContact CB-CG2 3.77Å; A51-L73 CarbonylContact C-O 3.59Å; A51-L73 WeakPolarHBondContact CA-O 3.28Å; A51-F142 HydrophobicContact CB-CE1 4.46Å; A51-W144 HydrophobicContact CB-CH2 4.4Å; A51-W144 HydrophobicContact CB-CZ2 4.45Å; A51-I145 HydrophobicContact CB-CD1 3.57Å
52I87.6Confident80.6Confident0 Ų049.8 Ų49.80%024%0.236CC..EExtended strand (participates in β ladder)trans-92.5120.7172.5-58.6174.4000108.3L41 G42 L43 I72 L73 I75 F79 M101 F121 V125L41-I52 HydrophobicContact CB-CG2 4.34Å; L41-I52 HydrophobicContact CD2-CG2 4.33Å; G42-I52 CarbonylContact O-C 3.57Å; G42-I52 WeakPolarHBondContact O-CA 3.3Å; L43-I52 HydrophobicContact CD1-CG1 4.13Å; I52-I72 CarbonylContact O-C 3.53Å; I52-I72 WeakPolarHBondContact O-CA 3.11Å; I52-L73 HydrophobicContact CB-CB 4.46Å; I52-L73 PolarHBondContact N-O 3.26Å; I52-L73 PolarHBondContact O-N 3.38Å; I52-I75 HydrophobicContact CG1-CD1 4.37Å; I52-F79 HydrophobicContact CD1-CE2 4.29Å; I52-F79 HydrophobicContact CD1-CZ 3.81Å; I52-M101 HydrophobicContact CD1-CE 3.96Å; I52-M101 HydrophobicContact CD1-SD 3.63Å; I52-F121 HydrophobicContact CD1-CZ 4.37Å; I52-F121 HydrophobicContact CG2-CZ 4.17Å; I52-V125 HydrophobicContact CD1-CG1 3.98Å; I52-V125 HydrophobicContact CD1-CG2 3.86Å; I52-V125 HydrophobicContact CG1-CG2 4.29Å
53F89Confident80.3Confident0 Ų052.4 Ų52.40%025%0.252CS..EExtended strand (participates in β ladder)trans-96.3131.4174.1-78.147.9000108.6L11 L41 G42 V44 A51 Y55 L69 I72 W144 Y148L11-F53 HydrophobicContact CD2-CD2 4.42Å; L11-F53 HydrophobicContact CD2-CE2 4.04Å; L41-F53 WeakPolarHBondContact CA-O 3.35Å; G42-F53 PolarHBondContact N-O 3.27Å; G42-F53 PolarHBondContact O-N 3.11Å; V44-F53 HydrophobicContact CB-CD1 3.89Å; V44-F53 HydrophobicContact CB-CE1 3.89Å; V44-F53 HydrophobicContact CG1-CE1 4.28Å; V44-F53 HydrophobicContact CG2-CB 4.26Å; V44-F53 HydrophobicContact CG2-CD1 3.59Å; V44-F53 HydrophobicContact CG2-CD2 4.37Å; V44-F53 HydrophobicContact CG2-CE1 3.98Å; V44-F53 HydrophobicContact CG2-CG 3.83Å; A51-F53 HydrophobicContact CB-CD1 4.36Å; A51-F53 HydrophobicContact CB-CE1 4.14Å; F53-Y55 HydrophobicContact CB-CD2 4.26Å; F53-Y55 HydrophobicContact CB-CE2 3.5Å; F53-Y55 HydrophobicContact CD2-CE2 4.38Å; F53-Y55 HydrophobicContact CG-CE2 4.45Å; F53-L69 HydrophobicContact CB-CD1 3.92Å; F53-L69 HydrophobicContact CD2-CD1 3.62Å; F53-L69 HydrophobicContact CD2-CD2 4.06Å; F53-L69 HydrophobicContact CE2-CD2 4.2Å; F53-L69 HydrophobicContact CG-CD1 4.11Å; F53-I72 HydrophobicContact CD1-CB 4.39Å; F53-I72 HydrophobicContact CD1-CD1 4.32Å; F53-I72 HydrophobicContact CD1-CG1 3.98Å; F53-I72 HydrophobicContact CD1-CG2 3.63Å; F53-I72 HydrophobicContact CD2-CD1 3.98Å; F53-I72 HydrophobicContact CD2-CG1 3.94Å; F53-I72 HydrophobicContact CE1-CB 4.48Å; F53-I72 HydrophobicContact CE1-CD1 3.92Å; F53-I72 HydrophobicContact CE1-CG1 4.07Å; F53-I72 HydrophobicContact CE1-CG2 3.57Å; F53-I72 HydrophobicContact CE2-CD1 3.56Å; F53-I72 HydrophobicContact CE2-CG1 4.05Å; F53-I72 HydrophobicContact CG-CD1 4.33Å; F53-I72 HydrophobicContact CG-CG1 3.89Å; F53-I72 HydrophobicContact CG-CG2 4.36Å; F53-I72 HydrophobicContact CZ-CD1 3.52Å; F53-I72 HydrophobicContact CZ-CG1 4.1Å; F53-I72 HydrophobicContact CZ-CG2 4.29Å; F53-W144 AromaticContact CE1-CH2 3.71Å; F53-W144 HydrophobicContact CE1-CH2 3.71Å; F53-W144 AromaticContact CE1-CZ3 3.74Å; F53-W144 HydrophobicContact CE1-CZ3 3.74Å; F53-W144 HydrophobicContact CZ-CE3 4.47Å; F53-W144 HydrophobicContact CZ-CH2 4.03Å; F53-W144 AromaticContact CZ-CZ3 3.54Å; F53-W144 HydrophobicContact CZ-CZ3 3.54Å; F53-Y148 HydrophobicContact CE2-CD1 4.33Å; F53-Y148 AromaticContact CE2-CD2 3.75Å; F53-Y148 HydrophobicContact CE2-CD2 3.75Å; F53-Y148 HydrophobicContact CE2-CE1 4.49Å; F53-Y148 AromaticContact CE2-CE2 3.91Å; F53-Y148 HydrophobicContact CE2-CE2 3.91Å; F53-Y148 AromaticContact CE2-CG 4Å; F53-Y148 HydrophobicContact CE2-CG 4Å; F53-Y148 AromaticContact CZ-CD2 3.83Å; F53-Y148 HydrophobicContact CZ-CD2 3.83Å; F53-Y148 HydrophobicContact CZ-CE2 4.06Å; F53-Y148 HydrophobicContact CZ-CG 4.44Å
54I86.6Confident80Confident5 Ų553.5 Ų53.53%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-109.6121.7-177.2-52-175.7000108.8I30 R39 L41 E70 D71 L73 L108I30-I54 HydrophobicContact CD1-CG2 4.39Å; R39-I54 HydrophobicContact CB-CG2 4.37Å; R39-I54 HydrophobicContact CG-CG2 4.29Å; L41-I54 HydrophobicContact CD2-CB 4.31Å; L41-I54 HydrophobicContact CD2-CD1 4.47Å; L41-I54 HydrophobicContact CD2-CG1 3.86Å; L41-I54 HydrophobicContact CD2-CG2 4.11Å; I54-E70 PolarHBondContact O-N 2.93Å; I54-D71 PolarHBondContact N-O 2.81Å; I54-D71 PolarHBondContact O-N 3.02Å; I54-L73 HydrophobicContact CD1-CD1 4.12Å; I54-L73 HydrophobicContact CD1-CG 4.29Å; I54-L108 HydrophobicContact CD1-CD2 3.76Å
55Y85.5Confident79.8Confident1 Ų159.9 Ų59.90%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-117.6135.4-177.8-64.1-102.5000111.7I7 T10 R39 L40 F53 V67 S68 L69I7-Y55 HydrophobicContact CB-CE2 4.37Å; I7-Y55 HydrophobicContact CD1-CD2 3.91Å; I7-Y55 HydrophobicContact CD1-CE2 3.85Å; I7-Y55 HydrophobicContact CG1-CD2 4.07Å; I7-Y55 HydrophobicContact CG1-CE2 3.84Å; I7-Y55 HydrophobicContact CG2-CE2 3.86Å; T10-Y55 HydrophobicContact CG2-CE1 4.23Å; T10-Y55 PolarHBondContact OG1-OH 3.37Å; R39-Y55 WeakPolarHBondContact CA-O 3.22Å; R39-Y55 WeakPolarHBondContact CD-O 3.47Å; L40-Y55 PolarHBondContact N-O 3.08Å; L40-Y55 PolarHBondContact O-N 2.65Å; F53-Y55 HydrophobicContact CB-CD2 4.26Å; F53-Y55 HydrophobicContact CB-CE2 3.5Å; F53-Y55 HydrophobicContact CD2-CE2 4.38Å; F53-Y55 HydrophobicContact CG-CE2 4.45Å; Y55-V67 HydrophobicContact CD1-CB 3.82Å; Y55-V67 HydrophobicContact CD1-CG2 3.97Å; Y55-V67 HydrophobicContact CE1-CG2 4.19Å; Y55-V67 HydrophobicContact CG-CB 4.38Å; Y55-S68 WeakPolarHBondContact CA-O 3.45Å; Y55-L69 HydrophobicContact CD1-CB 3.96Å; Y55-L69 HydrophobicContact CD1-CD1 4.45Å; Y55-L69 HydrophobicContact CD2-CD1 4.47Å; Y55-L69 HydrophobicContact CE1-CB 3.81Å; Y55-L69 HydrophobicContact CE1-CD1 4.17Å; Y55-L69 HydrophobicContact CE2-CD1 4.18Å
56T85.8Confident79.7Confident32 Ų3258.3 Ų58.320%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-73.2149.1153.955.80000109.2V67 S68T56-V67 CarbonylContact O-C 3.23Å; T56-V67 WeakPolarHBondContact O-CA 3.23Å; T56-S68 PolarHBondContact N-O 2.94Å; T56-S68 PolarHBondContact O-N 3.21Å; T56-S68 WeakPolarHBondContact OG1-CB 3.43Å; T56-S68 PolarHBondContact OG1-O 3.1Å
57H80.6Confident79.8Confident42 Ų4258.1 Ų58.119%0.19429%0.288CS..EExtended strand (participates in β ladder)trans-150.9163.2-17869.492.9000114.1N38 A61 D66 V67N38-H57 PolarHBondContact OD1-NE2 2.84Å; N38-H57 VanDerWaalsContact OD1-NE2 3.1Å; H57-A61 HydrophobicContact CB-CB 4.16Å; H57-D66 CarbonylContact C-O 3.57Å; H57-D66 VanDerWaalsContact CA-O 3.27Å; H57-D66 WeakPolarHBondContact CA-O 3.47Å; H57-V67 HydrophobicContact CB-CG1 4.08Å
58R75.2Confident80.1Confident155 Ų15556.2 Ų56.259%0.58527%0.269SS*.  trans-81.1162168.7-64.3178.9-178.8144.11111.6M60 A61 D65 D66R58-M60 PolarHBondContact O-N 2.62Å; R58-A61 PolarHBondContact O-N 2.93Å; R58-D65 PolarHBondContact NH1-O 2.94Å; R58-D66 HydrophobicContact CB-CB 4.48Å; R58-D66 PolarHBondContact N-O 3.06Å; R58-D66 IonicContact NH1-OD1 2.78Å; R58-D66 PolarHBondContact NH1-OD1 3.39Å; R58-D66 VanDerWaalsContact NH1-OD1 3.12Å
59R59.8Low80.9Confident250 Ų25050.9 Ų50.994%0.94325%0.247SC*.SBendtrans-50.4-28.8-176.4-86.2-172.2173.4-175-2.4115
60M66.9Low81Confident115 Ų11551 Ų5157%0.56725%0.248SC*.SBendtrans-13294.9169.4-67-178.36900108.8M1 R58 I62M1-M60 HydrophobicContact CE-CE 3.73Å; M1-M60 HydrophobicContact SD-CE 4.25Å; R58-M60 PolarHBondContact O-N 2.62Å; M60-I62 HydrophobicContact CE-CD1 4.41Å; M60-I62 PolarHBondContact O-N 3.1Å
61A70.2Confident80.9Confident3 Ų352.7 Ų52.73%0.02526%0.257CS..  trans-78.1117.2171.900000110.8Q3 A6 H57 R58 D66 V67Q3-A61 HydrophobicContact CG-CB 4.44Å; A6-A61 HydrophobicContact CB-CB 4.44Å; H57-A61 HydrophobicContact CB-CB 4.16Å; R58-A61 PolarHBondContact O-N 2.93Å; A61-D66 HydrophobicContact CB-CB 4Å; A61-V67 HydrophobicContact CB-CG1 3.76Å
62I75.9Confident80.9Confident83 Ų8352.8 Ų52.843%0.42626%0.258SS..  trans-123.3-37.4-179.7-62.3167.1000110.9M1 M60 D66M1-I62 HydrophobicContact SD-CD1 4.04Å; M1-I62 HydrophobicContact SD-CG1 4.23Å; M60-I62 HydrophobicContact CE-CD1 4.41Å; M60-I62 PolarHBondContact O-N 3.1Å; I62-D66 PolarHBondContact N-OD2 2.92Å
63T79.3Confident80.7Confident54 Ų5453.5 Ų53.533%0.33126%0.261SS..SBendtrans-120.8171.4177.270.60000112.3A6 E9 D65 D66A6-T63 WeakPolarHBondContact CB-O 2.94Å; E9-T63 VanDerWaalsContact OE2-CA 3.23Å; E9-T63 WeakPolarHBondContact OE2-CA 3.4Å; E9-T63 WeakPolarHBondContact OE2-CB 3.32Å; T63-D65 PolarHBondContact O-N 3.3Å; T63-D65 VanDerWaalsContact O-N 3.13Å; T63-D65 PolarHBondContact OG1-N 3.49Å; T63-D66 PolarHBondContact N-OD2 3.28Å; T63-D66 PolarHBondContact O-N 3.23Å; T63-D66 VanDerWaalsContact O-N 3.09Å
64A79.9Confident80.4Confident29 Ų2953.7 Ų53.724%0.2426%0.263CS..G310 helixtrans-51.3-30.1173.100000114.6E9 T10 D66 V67E9-A64 HydrophobicContact CB-CB 3.73Å; E9-A64 PolarHBondContact OE2-N 2.84Å; T10-A64 HydrophobicContact CG2-CB 3.84Å; A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 PolarHBondContact O-N 3.11Å; A64-V67 WeakPolarHBondContact O-CG2 3.41Å; A64-V67 PolarHBondContact O-N 2.87Å
65D82.6Confident80.2Confident134 Ų13453.5 Ų53.572%0.71726%0.262SS*.G310 helixtrans-75.4-12.9-178.8-70.8-42.7000113.8R58 T63R58-D65 PolarHBondContact NH1-O 2.94Å; T63-D65 PolarHBondContact O-N 3.3Å; T63-D65 VanDerWaalsContact O-N 3.13Å; T63-D65 PolarHBondContact OG1-N 3.49Å
66D82.4Confident79.6Confident31 Ų3154.3 Ų54.317%0.16627%0.267CS..G310 helixtrans-91.2-10.4177.2-65.5-44.4000113.8H57 R58 A61 I62 T63 A64H57-D66 CarbonylContact C-O 3.57Å; H57-D66 VanDerWaalsContact CA-O 3.27Å; H57-D66 WeakPolarHBondContact CA-O 3.47Å; R58-D66 HydrophobicContact CB-CB 4.48Å; R58-D66 PolarHBondContact N-O 3.06Å; R58-D66 IonicContact NH1-OD1 2.78Å; R58-D66 PolarHBondContact NH1-OD1 3.39Å; R58-D66 VanDerWaalsContact NH1-OD1 3.12Å; A61-D66 HydrophobicContact CB-CB 4Å; I62-D66 PolarHBondContact N-OD2 2.92Å; T63-D66 PolarHBondContact N-OD2 3.28Å; T63-D66 PolarHBondContact O-N 3.23Å; T63-D66 VanDerWaalsContact O-N 3.09Å; A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 PolarHBondContact O-N 3.11Å
67V84.4Confident78.8Confident8 Ų857.6 Ų57.65%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-115.6153.5-178.4-630000111.2A6 T10 L40 Y55 T56 H57 A61 A64A6-V67 HydrophobicContact CB-CG1 4.06Å; T10-V67 HydrophobicContact CG2-CG2 3.9Å; L40-V67 HydrophobicContact CD2-CG1 4.2Å; Y55-V67 HydrophobicContact CD1-CB 3.82Å; Y55-V67 HydrophobicContact CD1-CG2 3.97Å; Y55-V67 HydrophobicContact CE1-CG2 4.19Å; Y55-V67 HydrophobicContact CG-CB 4.38Å; T56-V67 CarbonylContact O-C 3.23Å; T56-V67 WeakPolarHBondContact O-CA 3.23Å; H57-V67 HydrophobicContact CB-CG1 4.08Å; A61-V67 HydrophobicContact CB-CG1 3.76Å; A64-V67 WeakPolarHBondContact O-CG2 3.41Å; A64-V67 PolarHBondContact O-N 2.87Å
68S85.3Confident78.2Confident50 Ų5058.8 Ų58.835%0.3529%0.29SS..EExtended strand (participates in β ladder)trans-146.3114.9174-81.10000110.5Y55 T56 E70Y55-S68 WeakPolarHBondContact CA-O 3.45Å; T56-S68 PolarHBondContact N-O 2.94Å; T56-S68 PolarHBondContact O-N 3.21Å; T56-S68 WeakPolarHBondContact OG1-CB 3.43Å; T56-S68 PolarHBondContact OG1-O 3.1Å; S68-E70 PolarHBondContact O-N 3.33Å
69L87.4Confident78.3Confident22 Ų2251.5 Ų51.512%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-64.5116.2-176.6177.865000111.1F53 Y55 I72 Y148 I152 Q155F53-L69 HydrophobicContact CB-CD1 3.92Å; F53-L69 HydrophobicContact CD2-CD1 3.62Å; F53-L69 HydrophobicContact CD2-CD2 4.06Å; F53-L69 HydrophobicContact CE2-CD2 4.2Å; F53-L69 HydrophobicContact CG-CD1 4.11Å; Y55-L69 HydrophobicContact CD1-CB 3.96Å; Y55-L69 HydrophobicContact CD1-CD1 4.45Å; Y55-L69 HydrophobicContact CD2-CD1 4.47Å; Y55-L69 HydrophobicContact CE1-CB 3.81Å; Y55-L69 HydrophobicContact CE1-CD1 4.17Å; Y55-L69 HydrophobicContact CE2-CD1 4.18Å; L69-I72 HydrophobicContact CD1-CG1 4.01Å; L69-I72 HydrophobicContact CD2-CD1 4.12Å; L69-I72 HydrophobicContact CD2-CG1 4.39Å; L69-Y148 HydrophobicContact CD2-CD1 3.61Å; L69-Y148 HydrophobicContact CD2-CE1 4.47Å; L69-Y148 HydrophobicContact CD2-CG 4.01Å; L69-I152 HydrophobicContact CG-CD1 4.45Å; L69-I152 HydrophobicContact CG-CG1 4.46Å; L69-Q155 PolarHBondContact O-OE1 3.43Å
70E83.8Confident78.5Confident35 Ų3541.2 Ų41.216%0.16423%0.231CC..EExtended strand (participates in β ladder)trans-95.5-49.7-177.9-174178.8-138.300111.4R39 I54 S68 I152 W162R39-E70 IonicContact CZ-OE1 3.51Å; R39-E70 IonicContact CZ-OE2 3.46Å; R39-E70 IonicContact NE-OE1 2.74Å; R39-E70 IonicContact NE-OE2 3.47Å; R39-E70 PolarHBondContact NE-OE2 3.27Å; R39-E70 IonicContact NH2-OE1 2.79Å; R39-E70 PolarHBondContact NH2-OE1 3.12Å; R39-E70 IonicContact NH2-OE2 2.74Å; R39-E70 PolarHBondContact NH2-OE2 3.36Å; I54-E70 PolarHBondContact O-N 2.93Å; S68-E70 PolarHBondContact O-N 3.33Å; E70-I152 VanDerWaalsContact O-CG2 3.3Å; E70-I152 WeakPolarHBondContact O-CG2 3.14Å; E70-W162 PolarHBondContact OE1-NE1 3.46Å
71D83.7Confident78.6Confident57 Ų5737 Ų3731%0.30521%0.212SC..EExtended strand (participates in β ladder)trans-150.4167.6-179.3-161.916.3000113.3I54I54-D71 PolarHBondContact N-O 2.81Å; I54-D71 PolarHBondContact O-N 3.02Å
72I86.2Confident78Confident3 Ų341 Ų412%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-138.4120.1177.1-55.4167.7000110.9A51 I52 F53 L69 P74 I145 Y148 I152A51-I72 HydrophobicContact CB-CG2 3.77Å; I52-I72 CarbonylContact O-C 3.53Å; I52-I72 WeakPolarHBondContact O-CA 3.11Å; F53-I72 HydrophobicContact CD1-CB 4.39Å; F53-I72 HydrophobicContact CD1-CD1 4.32Å; F53-I72 HydrophobicContact CD1-CG1 3.98Å; F53-I72 HydrophobicContact CD1-CG2 3.63Å; F53-I72 HydrophobicContact CD2-CD1 3.98Å; F53-I72 HydrophobicContact CD2-CG1 3.94Å; F53-I72 HydrophobicContact CE1-CB 4.48Å; F53-I72 HydrophobicContact CE1-CD1 3.92Å; F53-I72 HydrophobicContact CE1-CG1 4.07Å; F53-I72 HydrophobicContact CE1-CG2 3.57Å; F53-I72 HydrophobicContact CE2-CD1 3.56Å; F53-I72 HydrophobicContact CE2-CG1 4.05Å; F53-I72 HydrophobicContact CG-CD1 4.33Å; F53-I72 HydrophobicContact CG-CG1 3.89Å; F53-I72 HydrophobicContact CG-CG2 4.36Å; F53-I72 HydrophobicContact CZ-CD1 3.52Å; F53-I72 HydrophobicContact CZ-CG1 4.1Å; F53-I72 HydrophobicContact CZ-CG2 4.29Å; L69-I72 HydrophobicContact CD1-CG1 4.01Å; L69-I72 HydrophobicContact CD2-CD1 4.12Å; L69-I72 HydrophobicContact CD2-CG1 4.39Å; I72-P74 WeakPolarHBondContact O-CD 3.3Å; I72-I145 HydrophobicContact CB-CG2 4.46Å; I72-I145 HydrophobicContact CD1-CG2 3.83Å; I72-I145 HydrophobicContact CG2-CD1 3.93Å; I72-I145 HydrophobicContact CG2-CG2 4.22Å; I72-Y148 HydrophobicContact CD1-CD2 4.39Å; I72-Y148 HydrophobicContact CD1-CG 4.12Å; I72-I152 HydrophobicContact CG1-CD1 4.46Å
73L83.4Confident77.3Confident14 Ų1441.5 Ų41.57%0.07324%0.237CC..EExtended strand (participates in β ladder)trans-98.7106.5174.5-58.3178.9000110.8A51 I52 I54 Y103 L108A51-L73 CarbonylContact C-O 3.59Å; A51-L73 WeakPolarHBondContact CA-O 3.28Å; I52-L73 HydrophobicContact CB-CB 4.46Å; I52-L73 PolarHBondContact N-O 3.26Å; I52-L73 PolarHBondContact O-N 3.38Å; I54-L73 HydrophobicContact CD1-CD1 4.12Å; I54-L73 HydrophobicContact CD1-CG 4.29Å; L73-Y103 HydrophobicContact CD2-CD1 4.35Å; L73-L108 HydrophobicContact CD1-CD2 4.44Å
74P84.5Confident76.3Confident5 Ų540.6 Ų40.63%0.03223%0.231CC..EExtended strand (participates in β ladder)trans-69.7145.2173.8-15.931.7000112.2I72 T76 Y103 F142I72-P74 WeakPolarHBondContact O-CD 3.3Å; P74-T76 HydrophobicContact CB-CG2 4.49Å; P74-T76 PolarHBondContact O-N 2.88Å; P74-Y103 HydrophobicContact CB-CE2 4.29Å; P74-Y103 HydrophobicContact CG-CE2 4.27Å; P74-Y103 WeakPolarHBondContact O-CD2 3.38Å; P74-F142 HydrophobicContact CB-CD1 4.23Å; P74-F142 HydrophobicContact CB-CD2 4.02Å; P74-F142 HydrophobicContact CB-CE1 3.99Å; P74-F142 HydrophobicContact CB-CE2 3.8Å; P74-F142 HydrophobicContact CB-CG 4.21Å; P74-F142 HydrophobicContact CB-CZ 3.77Å
75I80.7Confident74.9Confident0 Ų044.5 Ų44.50%026%0.257CS..  trans-92.794175.4-62.2173.9000108.2L43 H50 I52 F79 V125 A128 W129 V132L43-I75 HydrophobicContact CD1-CD1 3.76Å; H50-I75 HydrophobicContact CB-CB 4.27Å; H50-I75 HydrophobicContact CB-CD1 4Å; H50-I75 WeakPolarHBondContact O-CB 3.48Å; H50-I75 PolarHBondContact O-N 3.15Å; I52-I75 HydrophobicContact CG1-CD1 4.37Å; I75-F79 HydrophobicContact CB-CD1 4.39Å; I75-F79 HydrophobicContact CD1-CE1 4.32Å; I75-F79 HydrophobicContact CG1-CD1 4.07Å; I75-F79 HydrophobicContact CG1-CD2 4.5Å; I75-F79 HydrophobicContact CG1-CE1 3.94Å; I75-F79 HydrophobicContact CG1-CE2 4.4Å; I75-F79 HydrophobicContact CG1-CG 4.35Å; I75-F79 HydrophobicContact CG1-CZ 4.12Å; I75-F79 HydrophobicContact CG2-CD1 3.96Å; I75-F79 HydrophobicContact CG2-CE1 4.41Å; I75-F79 HydrophobicContact CG2-CG 4.49Å; I75-V125 HydrophobicContact CD1-CG1 4.49Å; I75-A128 HydrophobicContact CD1-CB 4.12Å; I75-W129 HydrophobicContact CG2-CB 4.13Å; I75-W129 HydrophobicContact CG2-CE3 3.79Å; I75-V132 HydrophobicContact CG2-CG2 4.28Å
76T74.7Confident72.9Confident18 Ų1840.1 Ų40.111%0.1124%0.236CC..  trans-123.3169.7178.743.50000111P74 D78 F79 Y103 W129 P140 F142P74-T76 HydrophobicContact CB-CG2 4.49Å; P74-T76 PolarHBondContact O-N 2.88Å; T76-D78 WeakPolarHBondContact CB-OD1 3.09Å; T76-D78 PolarHBondContact O-N 3.49Å; T76-D78 PolarHBondContact OG1-OD1 2.91Å; T76-F79 WeakPolarHBondContact O-CB 3.39Å; T76-F79 PolarHBondContact O-N 3.17Å; T76-Y103 WeakPolarHBondContact OG1-CE2 3.35Å; T76-W129 WeakPolarHBondContact O-CH2 3.36Å; T76-W129 WeakPolarHBondContact O-CZ3 3.45Å; T76-P140 HydrophobicContact CG2-CG 4.23Å; T76-F142 HydrophobicContact CG2-CD2 4.27Å; T76-F142 HydrophobicContact CG2-CE2 3.42Å; T76-F142 VanDerWaalsContact CG2-CE2 3.42Å; T76-F142 HydrophobicContact CG2-CZ 4.18Å
77L67.3Low70.7Confident101 Ų10145 Ų4553%0.52927%0.269SS..THydrogen-bonded Turntrans-57.4-5.1-172.5-71.3172.4000116.6V132 P136L77-V132 HydrophobicContact CD2-CG1 4.08Å; L77-V132 HydrophobicContact CG-CG1 4.25Å; L77-P136 HydrophobicContact CD1-CB 4.39Å
78D69.5Low68.3Low67 Ų6753.4 Ų53.436%0.35831%0.308SS..THydrogen-bonded Turntrans-111.613.1176.951.6-19.5000113.7T76 K104T76-D78 WeakPolarHBondContact CB-OD1 3.09Å; T76-D78 PolarHBondContact O-N 3.49Å; T76-D78 PolarHBondContact OG1-OD1 2.91Å; D78-K104 PolarHBondContact O-N 2.73Å; D78-K104 WeakPolarHBondContact OD2-CE 3.16Å; D78-K104 WeakPolarHBondContact OD2-CG 3.15Å
79F77.4Confident66.1Low3 Ų356 Ų561%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-93.1144.4171.6179.1-100.6000111.1I52 I75 T76 V81 S102 V125 W129I52-F79 HydrophobicContact CD1-CE2 4.29Å; I52-F79 HydrophobicContact CD1-CZ 3.81Å; I75-F79 HydrophobicContact CB-CD1 4.39Å; I75-F79 HydrophobicContact CD1-CE1 4.32Å; I75-F79 HydrophobicContact CG1-CD1 4.07Å; I75-F79 HydrophobicContact CG1-CD2 4.5Å; I75-F79 HydrophobicContact CG1-CE1 3.94Å; I75-F79 HydrophobicContact CG1-CE2 4.4Å; I75-F79 HydrophobicContact CG1-CG 4.35Å; I75-F79 HydrophobicContact CG1-CZ 4.12Å; I75-F79 HydrophobicContact CG2-CD1 3.96Å; I75-F79 HydrophobicContact CG2-CE1 4.41Å; I75-F79 HydrophobicContact CG2-CG 4.49Å; T76-F79 WeakPolarHBondContact O-CB 3.39Å; T76-F79 PolarHBondContact O-N 3.17Å; F79-V81 HydrophobicContact CD1-CG2 4.38Å; F79-V81 HydrophobicContact CE1-CG2 3.41Å; F79-V81 VanDerWaalsContact CE1-CG2 3.41Å; F79-V81 HydrophobicContact CE2-CG2 4.49Å; F79-V81 HydrophobicContact CZ-CG2 3.47Å; F79-V81 VanDerWaalsContact CZ-CG2 3.47Å; F79-S102 CarbonylContact C-O 3.53Å; F79-S102 VanDerWaalsContact CA-O 3.29Å; F79-S102 WeakPolarHBondContact CA-O 3.45Å; F79-V125 HydrophobicContact CE1-CG1 3.88Å; F79-V125 HydrophobicContact CZ-CG1 3.98Å; F79-W129 HydrophobicContact CB-CZ3 4.4Å; F79-W129 HydrophobicContact CD1-CD2 4.3Å; F79-W129 HydrophobicContact CD1-CE3 4.37Å; F79-W129 HydrophobicContact CD1-CG 4.44Å; F79-W129 VanDerWaalsContact O-CH2 3.27Å; F79-W129 WeakPolarHBondContact O-CH2 3.29Å; F79-W129 WeakPolarHBondContact O-CZ2 3.17Å
80A62.8Low63.6Low33 Ų3361.4 Ų61.427%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-153.2160.6168.600000112.5M101 S102A80-M101 WeakPolarHBondContact O-CA 3.33Å; A80-S102 WeakPolarHBondContact CB-OG 3.49Å; A80-S102 PolarHBondContact N-O 2.93Å; A80-S102 PolarHBondContact O-N 2.9Å
81V69.4Low61.5Low27 Ų2764 Ų6416%0.16436%0.361CS..EExtended strand (participates in β ladder)trans-136.8123.8-179-173.90000108.6F79 V99 R100 M101 L122 V125F79-V81 HydrophobicContact CD1-CG2 4.38Å; F79-V81 HydrophobicContact CE1-CG2 3.41Å; F79-V81 VanDerWaalsContact CE1-CG2 3.41Å; F79-V81 HydrophobicContact CE2-CG2 4.49Å; F79-V81 HydrophobicContact CZ-CG2 3.47Å; F79-V81 VanDerWaalsContact CZ-CG2 3.47Å; V81-V99 HydrophobicContact CG1-CG1 3.31Å; V81-R100 WeakPolarHBondContact CA-O 3.45Å; V81-M101 HydrophobicContact CG1-CE 4.34Å; V81-M101 HydrophobicContact CG1-CG 4.33Å; V81-M101 HydrophobicContact CG2-CG 4.22Å; V81-L122 HydrophobicContact CG1-CD2 4Å; V81-V125 HydrophobicContact CG2-CG1 3.86Å
82V58Low59.4Low87 Ų8764.1 Ų64.153%0.52736%0.364SS..EExtended strand (participates in β ladder)trans-134.3129-174.8-174.90000110.2V99 R100V82-V99 CarbonylContact O-C 3.54Å; V82-V99 WeakPolarHBondContact O-CA 3.48Å; V82-R100 PolarHBondContact N-O 3.11Å; V82-R100 PolarHBondContact O-N 3.13Å
83E61.1Low57Low94 Ų9465 Ų6544%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-75.1124.7173.9-167.3164.9168.600109.7T97 R98 R119E83-T97 HydrophobicContact CG-CG2 3.97Å; E83-R98 WeakPolarHBondContact CA-O 3.13Å; E83-R119 VanDerWaalsContact CD-NH1 3.35Å; E83-R119 IonicContact OE1-CZ 3.56Å; E83-R119 IonicContact OE1-NH1 3.1Å; E83-R119 PolarHBondContact OE1-NH1 2.82Å; E83-R119 IonicContact OE1-NH2 3.48Å; E83-R119 PolarHBondContact OE1-NH2 2.77Å; E83-R119 IonicContact OE2-CZ 3.55Å; E83-R119 IonicContact OE2-NH1 3.38Å; E83-R119 PolarHBondContact OE2-NH1 2.91Å; E83-R119 IonicContact OE2-NH2 3.95Å
84V56.9Low55.2Low35 Ų3565 Ų6521%0.21237%0.372CS..  trans-104.6108.5-170.7-178.40000110.2R98 R100V84-R98 HydrophobicContact CB-CB 4.24Å; V84-R98 PolarHBondContact N-O 3.45Å; V84-R98 WeakPolarHBondContact O-CB 3.28Å; V84-R100 HydrophobicContact CG2-CB 3.76Å
85S51.6Low53.7Low111 Ų11166.3 Ų66.378%0.77638%0.384SS*.  trans-92.9118.4174.941.90000111.8
86S40.3Very low52.8Low42 Ų4268.3 Ų68.329%0.29440%0.395SS..  trans-76.3134168.1173.20000110.4E88S86-E88 PolarHBondContact O-N 2.97Å; S86-E88 PolarHBondContact OG-N 2.79Å
87P35.4Very low52.4Low132 Ų13267.6 Ų67.686%0.85739%0.39SS*.SBendtrans-66.1-21.3172-20.833.5000114.2
88E34.1Very low52.6Low185 Ų18566 Ų6686%0.86438%0.377SS*.SBendtrans-100.5-19.3-167.8-62.8176.3172.400113S86S86-E88 PolarHBondContact O-N 2.97Å; S86-E88 PolarHBondContact OG-N 2.79Å
89Q39.2Very low52.6Low105 Ų10563 Ų6349%0.49136%0.361SS..SBendtrans-81.4123.4174.5-63.9-167-87.400110.4V91Q89-V91 PolarHBondContact O-N 3.18Å
90L36.1Very low52.4Low136 Ų13667.1 Ų67.171%0.71238%0.377SS*.  trans-57.9121.8165.8-76.4165.9000108.8V92L90-V92 PolarHBondContact O-N 3.33Å
91V38.8Very low53.1Low90 Ų9065.8 Ų65.855%0.54537%0.365SS..  trans-76.989.6179.8-170.60000109Q89 L311Q89-V91 PolarHBondContact O-N 3.18Å; V91-L311 HydrophobicContact CB-CD2 4.29Å; V91-L311 HydrophobicContact CG1-CD1 4.22Å; V91-L311 HydrophobicContact CG1-CD2 3.86Å; V91-L311 VanDerWaalsContact O-CD1 3.22Å; V91-L311 WeakPolarHBondContact O-CD1 3.47Å
92V38.9Very low53.2Low59 Ų5966 Ų6636%0.35837%0.367SS..  trans-72.3139.5173.8-174.90000109.4L90 G94 A95L90-V92 PolarHBondContact O-N 3.33Å; V92-G94 PolarHBondContact O-N 2.86Å; V92-A95 HydrophobicContact CB-CB 4.34Å; V92-A95 WeakPolarHBondContact O-CB 3.09Å; V92-A95 PolarHBondContact O-N 2.92Å
93V37.6Very low54Low20 Ų2063.1 Ų63.112%0.12135%0.347CS..THydrogen-bonded Turntrans-70.5116.9168.8-177.70000107.2V310 L311 V701V93-V310 HydrophobicContact CG2-CB 4.44Å; V93-V310 HydrophobicContact CG2-CG1 3.98Å; V93-L311 HydrophobicContact CG2-CD1 3.63Å; V93-L311 HydrophobicContact CG2-CG 4.47Å; V93-V701 HydrophobicContact CB-CG1 4.39Å; V93-V701 HydrophobicContact CG1-CG1 4.4Å
94G44.7Very low54.6Low14 Ų1464.3 Ų64.314%0.14435%0.351CS..THydrogen-bonded Turntrans102.85.4-165.200000114.8V92 F114 R769V92-G94 PolarHBondContact O-N 2.86Å; G94-F114 WeakPolarHBondContact O-CB 3.35Å; G94-R769 PolarHBondContact O-NH1 2.94Å
95A52.2Low55.2Low33 Ų3370 Ų7027%0.27338%0.38SS..  trans-73.6145.7173.800000113V92 F114V92-A95 HydrophobicContact CB-CB 4.34Å; V92-A95 WeakPolarHBondContact O-CB 3.09Å; V92-A95 PolarHBondContact O-N 2.92Å; A95-F114 WeakPolarHBondContact O-CD2 3.27Å
96D62.3Low56Low43 Ų4369.4 Ų69.423%0.2337%0.365CS..  trans-66.5146.7-179-52.1-39.5000112.2R98 R111 L112 P113 F114 R769D96-R98 PolarHBondContact O-N 3.42Å; D96-R111 HydrophobicContact CB-CG 3.44Å; D96-R111 VanDerWaalsContact CB-CG 3.44Å; D96-R111 WeakPolarHBondContact OD2-CD 3.31Å; D96-L112 CarbonylContact C-O 3.57Å; D96-L112 WeakPolarHBondContact CA-O 3.27Å; D96-L112 WeakPolarHBondContact CB-O 3.47Å; D96-P113 WeakPolarHBondContact OD1-CA 3.15Å; D96-F114 PolarHBondContact OD1-N 3.15Å; D96-R769 IonicContact OD1-CZ 3.97Å; D96-R769 IonicContact OD1-NH1 2.69Å; D96-R769 PolarHBondContact OD1-NH1 3.08Å; D96-R769 IonicContact OD1-NH2 3.97Å; D96-R769 IonicContact OD2-CZ 3.78Å; D96-R769 IonicContact OD2-NH1 3.94Å; D96-R769 PolarHBondContact OD2-NH1 3.28Å; D96-R769 IonicContact OD2-NH2 3.15Å; D96-R769 PolarHBondContact OD2-NH2 3.46Å
97T67.1Low57.6Low3 Ų372 Ų722%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-83100178.7-51.70000109.2E83 V99 L112 R119 L122E83-T97 HydrophobicContact CG-CG2 3.97Å; T97-V99 HydrophobicContact CG2-CG2 3.75Å; T97-L112 PolarHBondContact N-O 3.37Å; T97-L112 PolarHBondContact O-N 2.9Å; T97-R119 VanDerWaalsContact CG2-NH2 3.29Å; T97-R119 PolarHBondContact OG1-NE 2.81Å; T97-R119 PolarHBondContact OG1-NH2 3.18Å; T97-L122 HydrophobicContact CG2-CD1 4.08Å
98R70.8Confident59.5Low68 Ų6867.2 Ų67.226%0.25734%0.34SS..EExtended strand (participates in β ladder)trans-68.5128167.6-85.9-167-174.2-125.55.5110L31 E83 V84 D96 E109 L110L31-R98 HydrophobicContact CD1-CG 4.41Å; E83-R98 WeakPolarHBondContact CA-O 3.13Å; V84-R98 HydrophobicContact CB-CB 4.24Å; V84-R98 PolarHBondContact N-O 3.45Å; V84-R98 WeakPolarHBondContact O-CB 3.28Å; D96-R98 PolarHBondContact O-N 3.42Å; R98-E109 IonicContact CZ-OE1 3.15Å; R98-E109 IonicContact NH1-OE1 3.75Å; R98-E109 PolarHBondContact NH1-OE1 3.45Å; R98-L110 CarbonylContact C-O 3.5Å; R98-L110 VanDerWaalsContact CA-O 3.31Å; R98-L110 WeakPolarHBondContact CA-O 3.4Å
99V70.3Confident61.7Low2 Ų260 Ų601%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-137.9130.3-178.6177.90000109.7V81 V82 T97 M101 L110 L112 L122V81-V99 HydrophobicContact CG1-CG1 3.31Å; V82-V99 CarbonylContact O-C 3.54Å; V82-V99 WeakPolarHBondContact O-CA 3.48Å; T97-V99 HydrophobicContact CG2-CG2 3.75Å; V99-M101 HydrophobicContact CG1-CG 4.3Å; V99-L110 PolarHBondContact N-O 3.47Å; V99-L110 PolarHBondContact O-N 3.26Å; V99-L112 HydrophobicContact CB-CD1 4.41Å; V99-L112 HydrophobicContact CG2-CD1 3.98Å; V99-L122 HydrophobicContact CG1-CD2 4.18Å; V99-L122 HydrophobicContact CG2-CD1 3.95Å; V99-L122 HydrophobicContact CG2-CD2 4.14Å
100R73.1Confident63.5Low91 Ų9155 Ų5534%0.34328%0.282SS..EExtended strand (participates in β ladder)trans-94.2123.2165.7-163.2169.4-57.9153.76.5109.3V81 V82 V84 E107 L108 E109V81-R100 WeakPolarHBondContact CA-O 3.45Å; V82-R100 PolarHBondContact N-O 3.11Å; V82-R100 PolarHBondContact O-N 3.13Å; V84-R100 HydrophobicContact CG2-CB 3.76Å; R100-E107 HydrophobicContact CG-CB 4.36Å; R100-L108 WeakPolarHBondContact CA-O 3.38Å; R100-E109 IonicContact CZ-OE2 2.77Å; R100-E109 IonicContact NE-OE2 3.64Å; R100-E109 PolarHBondContact NE-OE2 2.94Å; R100-E109 VanDerWaalsContact NE-OE2 3.12Å; R100-E109 IonicContact NH2-OE2 3.12Å; R100-E109 PolarHBondContact NH2-OE2 2.78Å
101M76.9Confident65.5Low4 Ų451.7 Ų51.72%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-99.3130.4165.4-62.8-167.4176.300108.2I52 A80 V81 V99 E107 L108 L110 F121 L122I52-M101 HydrophobicContact CD1-CE 3.96Å; I52-M101 HydrophobicContact CD1-SD 3.63Å; A80-M101 WeakPolarHBondContact O-CA 3.33Å; V81-M101 HydrophobicContact CG1-CE 4.34Å; V81-M101 HydrophobicContact CG1-CG 4.33Å; V81-M101 HydrophobicContact CG2-CG 4.22Å; V99-M101 HydrophobicContact CG1-CG 4.3Å; M101-E107 WeakPolarHBondContact O-CA 3.48Å; M101-L108 PolarHBondContact N-O 3.01Å; M101-L108 PolarHBondContact O-N 3.43Å; M101-L110 HydrophobicContact CE-CD1 3.84Å; M101-L110 HydrophobicContact CG-CD1 3.92Å; M101-L110 HydrophobicContact SD-CD1 3.7Å; M101-F121 HydrophobicContact CE-CE1 4.08Å; M101-L122 HydrophobicContact CE-CD2 4.28Å
102S71.1Confident67.2Low31 Ų3147.4 Ų47.422%0.21724%0.235CC..EExtended strand (participates in β ladder)trans-121.7138.5176.761.30000109.9F79 A80 E106F79-S102 CarbonylContact C-O 3.53Å; F79-S102 VanDerWaalsContact CA-O 3.29Å; F79-S102 WeakPolarHBondContact CA-O 3.45Å; A80-S102 WeakPolarHBondContact CB-OG 3.49Å; A80-S102 PolarHBondContact N-O 2.93Å; A80-S102 PolarHBondContact O-N 2.9Å; S102-E106 WeakPolarHBondContact CA-O 3.45Å
103Y74.7Confident68.4Low27 Ų2746.8 Ų46.811%0.10623%0.232CC..EExtended strand (participates in β ladder)trans-145.3119.8174.8165.8-103.4000107.9L73 P74 T76 N105 E106L73-Y103 HydrophobicContact CD2-CD1 4.35Å; P74-Y103 HydrophobicContact CB-CE2 4.29Å; P74-Y103 HydrophobicContact CG-CE2 4.27Å; P74-Y103 WeakPolarHBondContact O-CD2 3.38Å; T76-Y103 WeakPolarHBondContact OG1-CE2 3.35Å; Y103-N105 PolarHBondContact O-N 3.44Å; Y103-E106 PolarHBondContact N-O 2.88Å; Y103-E106 PolarHBondContact O-N 2.78Å
104K74.6Confident69.5Low119 Ų11948.5 Ų48.552%0.51724%0.238SC..THydrogen-bonded Turntrans58.2-119.7-173.9-66.6169.1-179.7167.70111.2D78D78-K104 PolarHBondContact O-N 2.73Å; D78-K104 WeakPolarHBondContact OD2-CE 3.16Å; D78-K104 WeakPolarHBondContact OD2-CG 3.15Å
105N69.7Low70Confident155 Ų15548.3 Ų48.383%0.82924%0.236SC*.THydrogen-bonded Turntrans-1026.9178.7-63-9.2000112Y103Y103-N105 PolarHBondContact O-N 3.44Å
106E67.5Low70.2Confident99 Ų9947 Ų4746%0.46323%0.225SC..EExtended strand (participates in β ladder)trans-104.1130.6-177.5-63.6174.714500108.8S102 Y103S102-E106 WeakPolarHBondContact CA-O 3.45Å; Y103-E106 PolarHBondContact N-O 2.88Å; Y103-E106 PolarHBondContact O-N 2.78Å
107E74.1Confident70.3Confident96 Ų9649.5 Ų49.545%0.44924%0.235SC..EExtended strand (participates in β ladder)trans-123.7138.9175.7-66-170.1131.300108.8R100 M101R100-E107 HydrophobicContact CG-CB 4.36Å; M101-E107 WeakPolarHBondContact O-CA 3.48Å
108L76.4Confident70.4Confident31 Ų3149.7 Ų49.716%0.16224%0.236CC..EExtended strand (participates in β ladder)trans-129.6118.8179.4-17068.7000108.4I30 I54 L73 R100 M101 L110I30-L108 HydrophobicContact CD1-CD1 4.31Å; I30-L108 HydrophobicContact CD1-CD2 4.41Å; I30-L108 HydrophobicContact CG2-CD1 3.65Å; I30-L108 HydrophobicContact CG2-CG 4.44Å; I54-L108 HydrophobicContact CD1-CD2 3.76Å; L73-L108 HydrophobicContact CD1-CD2 4.44Å; R100-L108 WeakPolarHBondContact CA-O 3.38Å; M101-L108 PolarHBondContact N-O 3.01Å; M101-L108 PolarHBondContact O-N 3.43Å; L108-L110 HydrophobicContact CD2-CD2 3.79Å; L108-L110 HydrophobicContact CD2-CG 4.43Å; L108-L110 HydrophobicContact CG-CD2 3.88Å; L108-L110 HydrophobicContact CG-CG 4.38Å
109E79Confident70.1Confident33 Ų3351.5 Ų51.515%0.15424%0.243CC..EExtended strand (participates in β ladder)trans-95.5127.1173.7-164.6162.4128.700110.7L31 R98 R100L31-E109 HydrophobicContact CD1-CG 4.44Å; L31-E109 PolarHBondContact N-O 2.83Å; R98-E109 IonicContact CZ-OE1 3.15Å; R98-E109 IonicContact NH1-OE1 3.75Å; R98-E109 PolarHBondContact NH1-OE1 3.45Å; R100-E109 IonicContact CZ-OE2 2.77Å; R100-E109 IonicContact NE-OE2 3.64Å; R100-E109 PolarHBondContact NE-OE2 2.94Å; R100-E109 VanDerWaalsContact NE-OE2 3.12Å; R100-E109 IonicContact NH2-OE2 3.12Å; R100-E109 PolarHBondContact NH2-OE2 2.78Å
110L78Confident69.7Low0 Ų052.9 Ų52.90%025%0.25CS..EExtended strand (participates in β ladder)trans-119.2143.2-172.3-59.1176.4000109.6D29 I30 L41 R98 V99 M101 L108D29-L110 CarbonylContact O-C 3.54Å; I30-L110 HydrophobicContact CB-CD2 4.49Å; I30-L110 HydrophobicContact CG1-CD2 3.76Å; L41-L110 HydrophobicContact CD1-CD1 4.04Å; R98-L110 CarbonylContact C-O 3.5Å; R98-L110 VanDerWaalsContact CA-O 3.31Å; R98-L110 WeakPolarHBondContact CA-O 3.4Å; V99-L110 PolarHBondContact N-O 3.47Å; V99-L110 PolarHBondContact O-N 3.26Å; M101-L110 HydrophobicContact CE-CD1 3.84Å; M101-L110 HydrophobicContact CG-CD1 3.92Å; M101-L110 HydrophobicContact SD-CD1 3.7Å; L108-L110 HydrophobicContact CD2-CD2 3.79Å; L108-L110 HydrophobicContact CD2-CG 4.43Å; L108-L110 HydrophobicContact CG-CD2 3.88Å; L108-L110 HydrophobicContact CG-CG 4.38Å
111R77.9Confident69.6Low68 Ų6848.8 Ų48.826%0.25724%0.235SC..EExtended strand (participates in β ladder)trans-109.6102166.4-170.9-177.5-55.3174.89.1107.9C28 D29 L31 D96C28-R111 CarbonylContact C-O 3.55Å; C28-R111 VanDerWaalsContact CA-O 3.32Å; C28-R111 WeakPolarHBondContact CA-O 3.33Å; D29-R111 HydrophobicContact CB-CB 4.26Å; D29-R111 PolarHBondContact N-O 2.84Å; D29-R111 PolarHBondContact O-N 2.81Å; L31-R111 HydrophobicContact CD1-CB 4.31Å; L31-R111 HydrophobicContact CD2-CB 4.12Å; L31-R111 VanDerWaalsContact CD2-NH2 3.34Å; L31-R111 HydrophobicContact CG-CB 4.31Å; D96-R111 HydrophobicContact CB-CG 3.44Å; D96-R111 VanDerWaalsContact CB-CG 3.44Å; D96-R111 WeakPolarHBondContact OD2-CD 3.31Å
112L73.9Confident69.1Low0 Ų049.2 Ų49.20%024%0.237CC..EExtended strand (participates in β ladder)trans-87.2124.6175.3-75.8157.9000108.6A26 C28 L41 D96 T97 V99 L122A26-L112 HydrophobicContact CB-CD2 4.02Å; C28-L112 HydrophobicContact CB-CD2 3.84Å; C28-L112 HydrophobicContact CB-CG 4.25Å; L41-L112 HydrophobicContact CD1-CD2 4.26Å; D96-L112 CarbonylContact C-O 3.57Å; D96-L112 WeakPolarHBondContact CA-O 3.27Å; D96-L112 WeakPolarHBondContact CB-O 3.47Å; T97-L112 PolarHBondContact N-O 3.37Å; T97-L112 PolarHBondContact O-N 2.9Å; V99-L112 HydrophobicContact CB-CD1 4.41Å; V99-L112 HydrophobicContact CG2-CD1 3.98Å; L112-L122 HydrophobicContact CD1-CD1 3.78Å; L112-L122 HydrophobicContact CD1-CD2 3.74Å; L112-L122 HydrophobicContact CD1-CG 3.79Å
113P65.5Low68.6Low45 Ų4551.3 Ų51.329%0.29225%0.251SS..PPolyproline II helixtrans-51.6145.4179.1-2735.3000111.8Q27 D96 G115 S118Q27-P113 WeakPolarHBondContact O-CD 3.43Å; D96-P113 WeakPolarHBondContact OD1-CA 3.15Å; P113-G115 PolarHBondContact O-N 2.72Å; P113-G115 VanDerWaalsContact O-N 3.16Å; P113-S118 VanDerWaalsContact O-CB 3.23Å; P113-S118 WeakPolarHBondContact O-CB 3.34Å; P113-S118 PolarHBondContact O-OG 3.37Å
114F59.5Low68.2Low56 Ų5652.5 Ų52.525%0.24626%0.258CS..SBendtrans-58.2120.5169.6-175.8-97.2000109.8G94 A95 D96 Y314 E664G94-F114 WeakPolarHBondContact O-CB 3.35Å; A95-F114 WeakPolarHBondContact O-CD2 3.27Å; D96-F114 PolarHBondContact OD1-N 3.15Å; F114-Y314 HydrophobicContact CE2-CE1 4.31Å; F114-Y314 HydrophobicContact CZ-CE1 4.22Å; F114-E664 HydrophobicContact CD1-CG 4.48Å; F114-E664 HydrophobicContact CE1-CG 3.85Å
115G56.2Low67.9Low11 Ų1146.9 Ų46.911%0.11323%0.233CC..SBendtrans168157.9-178.400000114.8P113 H117 S118 R119 E664P113-G115 PolarHBondContact O-N 2.72Å; P113-G115 VanDerWaalsContact O-N 3.16Å; G115-H117 PolarHBondContact O-N 2.84Å; G115-S118 WeakPolarHBondContact O-CB 3.13Å; G115-S118 PolarHBondContact O-N 2.69Å; G115-R119 PolarHBondContact O-N 3.3Å; G115-E664 WeakPolarHBondContact CA-OE1 3.4Å; G115-E664 WeakPolarHBondContact CA-OE2 3.33Å
116S56.6Low67.5Low6 Ų642.8 Ų42.84%0.04221%0.211CC..Hα-helixtrans-57.6-40.1-179.8640000111.6S118 R119 L120 D661 E664S116-S118 PolarHBondContact O-N 2.88Å; S116-R119 PolarHBondContact O-N 2.87Å; S116-L120 VanDerWaalsContact O-CB 3.3Å; S116-L120 WeakPolarHBondContact O-CB 3.4Å; S116-L120 WeakPolarHBondContact O-CD1 3.29Å; S116-L120 WeakPolarHBondContact O-CG 3.3Å; S116-L120 PolarHBondContact O-N 3.46Å; S116-D661 WeakPolarHBondContact CB-OD1 3.44Å; S116-D661 PolarHBondContact OG-OD1 3.28Å; S116-E664 PolarHBondContact N-OE1 3Å; S116-E664 PolarHBondContact N-OE2 2.99Å
117H63.5Low67.3Low95 Ų9542.5 Ų42.544%0.4421%0.209SC..Hα-helixtrans-62.8-44.1-178.9-63.247.8000111.5G115 F121G115-H117 PolarHBondContact O-N 2.84Å; H117-F121 VanDerWaalsContact O-CB 3.27Å; H117-F121 WeakPolarHBondContact O-CB 3.2Å; H117-F121 PolarHBondContact O-N 2.7Å
118S68.4Low66.9Low6 Ų638.1 Ų38.14%0.04219%0.189CC..Hα-helixtrans-63.4-44.7176-63.30000112.3P113 G115 S116 L122P113-S118 VanDerWaalsContact O-CB 3.23Å; P113-S118 WeakPolarHBondContact O-CB 3.34Å; P113-S118 PolarHBondContact O-OG 3.37Å; G115-S118 WeakPolarHBondContact O-CB 3.13Å; G115-S118 PolarHBondContact O-N 2.69Å; S116-S118 PolarHBondContact O-N 2.88Å; S118-L122 WeakPolarHBondContact O-CG 3.39Å; S118-L122 PolarHBondContact O-N 2.81Å
119R64.9Low66.4Low107 Ų10738.9 Ų38.940%0.40419%0.19SC..Hα-helixtrans-72.3-34.8-179.1-69.8-68.3178.8173-2.4112.4E83 T97 G115 S116 C123E83-R119 VanDerWaalsContact CD-NH1 3.35Å; E83-R119 IonicContact OE1-CZ 3.56Å; E83-R119 IonicContact OE1-NH1 3.1Å; E83-R119 PolarHBondContact OE1-NH1 2.82Å; E83-R119 IonicContact OE1-NH2 3.48Å; E83-R119 PolarHBondContact OE1-NH2 2.77Å; E83-R119 IonicContact OE2-CZ 3.55Å; E83-R119 IonicContact OE2-NH1 3.38Å; E83-R119 PolarHBondContact OE2-NH1 2.91Å; E83-R119 IonicContact OE2-NH2 3.95Å; T97-R119 VanDerWaalsContact CG2-NH2 3.29Å; T97-R119 PolarHBondContact OG1-NE 2.81Å; T97-R119 PolarHBondContact OG1-NH2 3.18Å; G115-R119 PolarHBondContact O-N 3.3Å; S116-R119 PolarHBondContact O-N 2.87Å; R119-C123 WeakPolarHBondContact O-CB 3.36Å; R119-C123 PolarHBondContact O-N 2.72Å
120L61.6Low65.4Low31 Ų3138.8 Ų38.816%0.16219%0.193CC..Hα-helixtrans-72.1-39.3174.8-70.2165.1000112.1H24 S116 C123 E124 F653 V657H24-L120 WeakPolarHBondContact CE1-CB 3.27Å; H24-L120 WeakPolarHBondContact NE2-CD1 3.41Å; S116-L120 VanDerWaalsContact O-CB 3.3Å; S116-L120 WeakPolarHBondContact O-CB 3.4Å; S116-L120 WeakPolarHBondContact O-CD1 3.29Å; S116-L120 WeakPolarHBondContact O-CG 3.3Å; S116-L120 PolarHBondContact O-N 3.46Å; L120-C123 WeakPolarHBondContact O-CB 3.33Å; L120-C123 PolarHBondContact O-N 3.24Å; L120-E124 PolarHBondContact O-N 3.5Å; L120-F653 HydrophobicContact CD2-CE2 4.47Å; L120-F653 HydrophobicContact CD2-CZ 3.96Å; L120-V657 HydrophobicContact CD1-CG1 4.43Å; L120-V657 HydrophobicContact CD1-CG2 4.31Å
121F71.6Confident64.7Low4 Ų441.1 Ų41.12%0.01821%0.205CC..Hα-helixtrans-57.6-49.7170.3173.4-98.7000111.5A26 L41 L43 I52 M101 H117 C123 E124 V125A26-F121 HydrophobicContact CB-CB 3.78Å; A26-F121 HydrophobicContact CB-CD1 3.72Å; A26-F121 HydrophobicContact CB-CD2 3.87Å; A26-F121 HydrophobicContact CB-CE1 4.26Å; A26-F121 HydrophobicContact CB-CE2 4.39Å; A26-F121 HydrophobicContact CB-CG 3.51Å; L41-F121 HydrophobicContact CB-CE1 4.19Å; L41-F121 HydrophobicContact CB-CE2 3.99Å; L41-F121 HydrophobicContact CB-CZ 3.58Å; L41-F121 HydrophobicContact CD1-CE1 3.68Å; L41-F121 HydrophobicContact CD1-CZ 3.85Å; L41-F121 HydrophobicContact CG-CZ 4.38Å; L43-F121 HydrophobicContact CB-CD2 4.47Å; L43-F121 HydrophobicContact CB-CE2 3.99Å; I52-F121 HydrophobicContact CD1-CZ 4.37Å; I52-F121 HydrophobicContact CG2-CZ 4.17Å; M101-F121 HydrophobicContact CE-CE1 4.08Å; H117-F121 VanDerWaalsContact O-CB 3.27Å; H117-F121 WeakPolarHBondContact O-CB 3.2Å; H117-F121 PolarHBondContact O-N 2.7Å; F121-C123 VanDerWaalsContact C-N 3.26Å; F121-C123 PolarHBondContact O-N 3.42Å; F121-E124 PolarHBondContact O-N 3.07Å; F121-V125 HydrophobicContact CD1-CG2 4.34Å; F121-V125 HydrophobicContact CE1-CG2 3.99Å; F121-V125 HydrophobicContact CE2-CG2 4.18Å; F121-V125 HydrophobicContact CZ-CG2 3.89Å; F121-V125 WeakPolarHBondContact O-CG2 3.37Å; F121-V125 PolarHBondContact O-N 2.87Å
122L66.8Low63.8Low14 Ų1439 Ų397%0.07320%0.199CC..Hα-helixtrans-61.1-33.5175.3-71.7171.3000112.8V81 T97 V99 M101 L112 S118 N126V81-L122 HydrophobicContact CG1-CD2 4Å; T97-L122 HydrophobicContact CG2-CD1 4.08Å; V99-L122 HydrophobicContact CG1-CD2 4.18Å; V99-L122 HydrophobicContact CG2-CD1 3.95Å; V99-L122 HydrophobicContact CG2-CD2 4.14Å; M101-L122 HydrophobicContact CE-CD2 4.28Å; L112-L122 HydrophobicContact CD1-CD1 3.78Å; L112-L122 HydrophobicContact CD1-CD2 3.74Å; L112-L122 HydrophobicContact CD1-CG 3.79Å; S118-L122 WeakPolarHBondContact O-CG 3.39Å; S118-L122 PolarHBondContact O-N 2.81Å; L122-N126 WeakPolarHBondContact O-CB 3.22Å; L122-N126 PolarHBondContact O-N 3.07Å; L122-N126 PolarHBondContact O-ND2 2.85Å
123C60.5Low62.7Low75 Ų7542 Ų4251%0.50722%0.219SC..Hα-helixtrans-65.8-46.4175.7-1730000111.9R119 L120 F121 N126 K127R119-C123 WeakPolarHBondContact O-CB 3.36Å; R119-C123 PolarHBondContact O-N 2.72Å; L120-C123 WeakPolarHBondContact O-CB 3.33Å; L120-C123 PolarHBondContact O-N 3.24Å; F121-C123 VanDerWaalsContact C-N 3.26Å; F121-C123 PolarHBondContact O-N 3.42Å; C123-N126 PolarHBondContact O-N 3.08Å; C123-K127 WeakPolarHBondContact O-CB 3.47Å; C123-K127 PolarHBondContact O-N 3.39Å
124E65.6Low61.9Low52 Ų5245.7 Ų45.724%0.24323%0.228CC..Hα-helixtrans-70.2-35.7178.8-72.2-67.612700112.2L43 L120 F121 N126 K127 A128L43-E124 HydrophobicContact CD2-CB 3.89Å; L120-E124 PolarHBondContact O-N 3.5Å; F121-E124 PolarHBondContact O-N 3.07Å; E124-N126 PolarHBondContact O-N 3.38Å; E124-K127 WeakPolarHBondContact O-CB 3.35Å; E124-K127 PolarHBondContact O-N 3.43Å; E124-K127 VanDerWaalsContact OE1-CD 3.24Å; E124-K127 WeakPolarHBondContact OE1-CD 3.23Å; E124-K127 IonicContact OE1-NZ 2.73Å; E124-K127 PolarHBondContact OE1-NZ 3.4Å; E124-K127 IonicContact OE2-NZ 3.4Å; E124-K127 PolarHBondContact OE2-NZ 2.94Å; E124-A128 WeakPolarHBondContact O-CB 3.42Å; E124-A128 PolarHBondContact O-N 3.41Å
125V69.9Low61.4Low0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-60-45.3169.9171.40000111.2L43 I52 I75 F79 V81 F121 K127 W129L43-V125 HydrophobicContact CD1-CG2 4.31Å; L43-V125 HydrophobicContact CD2-CG2 4Å; I52-V125 HydrophobicContact CD1-CG1 3.98Å; I52-V125 HydrophobicContact CD1-CG2 3.86Å; I52-V125 HydrophobicContact CG1-CG2 4.29Å; I75-V125 HydrophobicContact CD1-CG1 4.49Å; F79-V125 HydrophobicContact CE1-CG1 3.88Å; F79-V125 HydrophobicContact CZ-CG1 3.98Å; V81-V125 HydrophobicContact CG2-CG1 3.86Å; F121-V125 HydrophobicContact CD1-CG2 4.34Å; F121-V125 HydrophobicContact CE1-CG2 3.99Å; F121-V125 HydrophobicContact CE2-CG2 4.18Å; F121-V125 HydrophobicContact CZ-CG2 3.89Å; F121-V125 WeakPolarHBondContact O-CG2 3.37Å; F121-V125 PolarHBondContact O-N 2.87Å; V125-K127 VanDerWaalsContact C-N 3.29Å; V125-K127 PolarHBondContact O-N 3.19Å; V125-W129 VanDerWaalsContact O-CB 3.24Å; V125-W129 WeakPolarHBondContact O-CB 3.3Å; V125-W129 PolarHBondContact O-N 2.94Å
126N61.1Low61Low69 Ų6951 Ų5137%0.36926%0.26SS..Hα-helixtrans-66.8-27.9177.3-86.3-76.6000113.5L122 C123 E124 S130L122-N126 WeakPolarHBondContact O-CB 3.22Å; L122-N126 PolarHBondContact O-N 3.07Å; L122-N126 PolarHBondContact O-ND2 2.85Å; C123-N126 PolarHBondContact O-N 3.08Å; E124-N126 PolarHBondContact O-N 3.38Å; N126-S130 VanDerWaalsContact O-CB 3.31Å; N126-S130 WeakPolarHBondContact O-CB 3.13Å; N126-S130 PolarHBondContact O-N 3.14Å; N126-S130 PolarHBondContact O-OG 2.72Å
127K62.4Low60.4Low94 Ų9457 Ų5741%0.40930%0.296SS..Hα-helixtrans-75.2-51.4175.4170.1-172.3161.6-155.10111.4C123 E124 V125 W129 S130 D131C123-K127 WeakPolarHBondContact O-CB 3.47Å; C123-K127 PolarHBondContact O-N 3.39Å; E124-K127 WeakPolarHBondContact O-CB 3.35Å; E124-K127 PolarHBondContact O-N 3.43Å; E124-K127 VanDerWaalsContact OE1-CD 3.24Å; E124-K127 WeakPolarHBondContact OE1-CD 3.23Å; E124-K127 IonicContact OE1-NZ 2.73Å; E124-K127 PolarHBondContact OE1-NZ 3.4Å; E124-K127 IonicContact OE2-NZ 3.4Å; E124-K127 PolarHBondContact OE2-NZ 2.94Å; V125-K127 VanDerWaalsContact C-N 3.29Å; V125-K127 PolarHBondContact O-N 3.19Å; K127-W129 PolarHBondContact O-N 3.09Å; K127-S130 WeakPolarHBondContact O-CB 3.38Å; K127-S130 PolarHBondContact O-N 2.63Å; K127-D131 PolarHBondContact O-N 2.72Å
128A65.3Low59.9Low4 Ų459.5 Ų59.53%0.03331%0.308CS..Hα-helixtrans-52.3-41.5171.700000111.4H50 I75 E124 V132H50-A128 HydrophobicContact CB-CB 3.9Å; I75-A128 HydrophobicContact CD1-CB 4.12Å; E124-A128 WeakPolarHBondContact O-CB 3.42Å; E124-A128 PolarHBondContact O-N 3.41Å; A128-V132 PolarHBondContact O-N 2.87Å
129W66.2Low59.2Low47 Ų4764.3 Ų64.318%0.17834%0.337CS..Hα-helixtrans-64.6-48.4173.2177.1-136.5000113.2I75 T76 F79 V125 K127 D131 V132 C133I75-W129 HydrophobicContact CG2-CB 4.13Å; I75-W129 HydrophobicContact CG2-CE3 3.79Å; T76-W129 WeakPolarHBondContact O-CH2 3.36Å; T76-W129 WeakPolarHBondContact O-CZ3 3.45Å; F79-W129 HydrophobicContact CB-CZ3 4.4Å; F79-W129 HydrophobicContact CD1-CD2 4.3Å; F79-W129 HydrophobicContact CD1-CE3 4.37Å; F79-W129 HydrophobicContact CD1-CG 4.44Å; F79-W129 VanDerWaalsContact O-CH2 3.27Å; F79-W129 WeakPolarHBondContact O-CH2 3.29Å; F79-W129 WeakPolarHBondContact O-CZ2 3.17Å; V125-W129 VanDerWaalsContact O-CB 3.24Å; V125-W129 WeakPolarHBondContact O-CB 3.3Å; V125-W129 PolarHBondContact O-N 2.94Å; K127-W129 PolarHBondContact O-N 3.09Å; W129-D131 PolarHBondContact O-N 3.33Å; W129-V132 HydrophobicContact CE3-CB 4.23Å; W129-V132 HydrophobicContact CE3-CG1 4.42Å; W129-V132 HydrophobicContact CZ3-CB 4.39Å; W129-V132 HydrophobicContact CZ3-CG1 4.1Å; W129-V132 PolarHBondContact O-N 2.91Å; W129-V132 VanDerWaalsContact O-N 3.15Å; W129-C133 PolarHBondContact O-N 3.04Å; W129-C133 VanDerWaalsContact O-N 3.15Å; W129-C133 PolarHBondContact O-SG 2.76Å
130S58.9Low59.2Low31 Ų3160.6 Ų60.622%0.21733%0.327CS..Hα-helixtrans-58.1-32.2178.7-67.60000113.5N126 K127 R134N126-S130 VanDerWaalsContact O-CB 3.31Å; N126-S130 WeakPolarHBondContact O-CB 3.13Å; N126-S130 PolarHBondContact O-N 3.14Å; N126-S130 PolarHBondContact O-OG 2.72Å; K127-S130 WeakPolarHBondContact O-CB 3.38Å; K127-S130 PolarHBondContact O-N 2.63Å; S130-R134 WeakPolarHBondContact O-CD 3.5Å; S130-R134 VanDerWaalsContact O-CG 3.23Å; S130-R134 WeakPolarHBondContact O-CG 3.17Å; S130-R134 PolarHBondContact O-N 3.12Å; S130-R134 PolarHBondContact O-NE 2.86Å
131D61.7Low59.6Low49 Ų4966.7 Ų66.726%0.26235%0.352SS..Hα-helixtrans-77.5-33.1179.1-70.9-34.2000112.3K127 W129 R134K127-D131 PolarHBondContact O-N 2.72Å; W129-D131 PolarHBondContact O-N 3.33Å; D131-R134 PolarHBondContact O-N 3.05Å; D131-R134 IonicContact OD1-CZ 3.93Å; D131-R134 IonicContact OD1-NE 2.76Å; D131-R134 IonicContact OD1-NH1 3.21Å; D131-R134 PolarHBondContact OD1-NH1 2.83Å
132V59.8Low60.1Low22 Ų2267.5 Ų67.513%0.13336%0.355CS..Hα-helixtrans-61.9-42.8169.2174.10000111.2I75 L77 A128 W129 R134 L135I75-V132 HydrophobicContact CG2-CG2 4.28Å; L77-V132 HydrophobicContact CD2-CG1 4.08Å; L77-V132 HydrophobicContact CG-CG1 4.25Å; A128-V132 PolarHBondContact O-N 2.87Å; W129-V132 HydrophobicContact CE3-CB 4.23Å; W129-V132 HydrophobicContact CE3-CG1 4.42Å; W129-V132 HydrophobicContact CZ3-CB 4.39Å; W129-V132 HydrophobicContact CZ3-CG1 4.1Å; W129-V132 PolarHBondContact O-N 2.91Å; W129-V132 VanDerWaalsContact O-N 3.15Å; V132-R134 PolarHBondContact O-N 3.26Å; V132-L135 PolarHBondContact O-N 2.97Å
133C50.7Low60.7Low63 Ų6372.1 Ų72.143%0.42638%0.377SS..THydrogen-bonded Turntrans-64.3-18.6176.5-600000114.3W129W129-C133 PolarHBondContact O-N 3.04Å; W129-C133 VanDerWaalsContact O-N 3.15Å; W129-C133 PolarHBondContact O-SG 2.76Å
134R49Very low61.7Low123 Ų12370 Ų7046%0.46436%0.358SS..THydrogen-bonded Turntrans-90.1-19.7-178-71.9165.8-170.9-164.70.5114S130 D131 V132 P136 S438S130-R134 WeakPolarHBondContact O-CD 3.5Å; S130-R134 VanDerWaalsContact O-CG 3.23Å; S130-R134 WeakPolarHBondContact O-CG 3.17Å; S130-R134 PolarHBondContact O-N 3.12Å; S130-R134 PolarHBondContact O-NE 2.86Å; D131-R134 PolarHBondContact O-N 3.05Å; D131-R134 IonicContact OD1-CZ 3.93Å; D131-R134 IonicContact OD1-NE 2.76Å; D131-R134 IonicContact OD1-NH1 3.21Å; D131-R134 PolarHBondContact OD1-NH1 2.83Å; V132-R134 PolarHBondContact O-N 3.26Å; R134-P136 VanDerWaalsContact C-CD 3.41Å; R134-S438 PolarHBondContact NH1-O 2.78Å
135L48.2Very low62.6Low102 Ų10267.7 Ų67.753%0.53435%0.348SS..  trans-128.255.4-173.9-69.9170.1000112.5V132 T137 Q138V132-L135 PolarHBondContact O-N 2.97Å; L135-T137 PolarHBondContact O-N 2.98Å; L135-Q138 PolarHBondContact O-N 3.48Å
136P48.8Very low63.2Low78 Ų7873 Ų7351%0.50637%0.371SS..THydrogen-bonded Turntrans-63.6-11.8-172.927.8-37.1000115L77 R134 Q138L77-P136 HydrophobicContact CD1-CB 4.39Å; R134-P136 VanDerWaalsContact C-CD 3.41Å; P136-Q138 VanDerWaalsContact C-N 3.33Å
137T44.6Very low64.2Low131 Ų13174.2 Ų74.280%0.80437%0.373SS*.THydrogen-bonded Turntrans-79-12.1174.248.30000113.9L135L135-T137 PolarHBondContact O-N 2.98Å
138Q52.5Low65.2Low148 Ų14871.1 Ų71.169%0.69236%0.358SS*.SBendtrans-108.977.1171.6-67.3-171-3.400109.7L135 P136 P140L135-Q138 PolarHBondContact O-N 3.48Å; P136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-P140 WeakPolarHBondContact O-CD 3.27Å; Q138-P140 VanDerWaalsContact O-N 3.16Å
139V54.5Low65.5Low107 Ų10775 Ų7565%0.64838%0.375SS*.  trans-61.9114.7172.8-179.20000108.8
140P63.3Low65.2Low29 Ų2980.5 Ų80.519%0.18840%0.4CS..  trans-70.8139.1-177.724.4-25.9000110.6E49 T76 Q138 F142E49-P140 HydrophobicContact CB-CB 4.32Å; E49-P140 HydrophobicContact CG-CB 3.84Å; E49-P140 WeakPolarHBondContact OE1-CA 3.3Å; T76-P140 HydrophobicContact CG2-CG 4.23Å; Q138-P140 WeakPolarHBondContact O-CD 3.27Å; Q138-P140 VanDerWaalsContact O-N 3.16Å; P140-F142 HydrophobicContact CB-CD2 4.23Å; P140-F142 HydrophobicContact CB-CE2 3.58Å; P140-F142 HydrophobicContact CB-CZ 3.87Å; P140-F142 HydrophobicContact CG-CE2 3.65Å; P140-F142 HydrophobicContact CG-CZ 3.97Å
141K70.6Confident65.1Low159 Ų15982.1 Ų82.169%0.69141%0.411SS*.  trans-102.3-23.9-166.4-61.8-178.1-178.6176.40113.2E49 E143E49-K141 PolarHBondContact OE1-N 3.33Å; K141-E143 HydrophobicContact CB-CG 4.22Å; K141-E143 PolarHBondContact O-N 3.05Å
142F81.1Confident65.3Low20 Ų2080.7 Ų80.79%0.08840%0.403CS..  trans54.737176-59.8-77.9000114.2E49 H50 A51 P74 T76 P140 W144 I145E49-F142 HydrophobicContact CB-CD1 3.98Å; E49-F142 HydrophobicContact CB-CE1 3.67Å; E49-F142 HydrophobicContact CB-CZ 4.25Å; E49-F142 PolarHBondContact OE1-N 3.27Å; E49-F142 WeakPolarHBondContact OE2-CA 3.43Å; E49-F142 PolarHBondContact OE2-N 2.86Å; H50-F142 VanDerWaalsContact O-CE1 3.25Å; H50-F142 WeakPolarHBondContact O-CE1 3.5Å; A51-F142 HydrophobicContact CB-CE1 4.46Å; P74-F142 HydrophobicContact CB-CD1 4.23Å; P74-F142 HydrophobicContact CB-CD2 4.02Å; P74-F142 HydrophobicContact CB-CE1 3.99Å; P74-F142 HydrophobicContact CB-CE2 3.8Å; P74-F142 HydrophobicContact CB-CG 4.21Å; P74-F142 HydrophobicContact CB-CZ 3.77Å; T76-F142 HydrophobicContact CG2-CD2 4.27Å; T76-F142 HydrophobicContact CG2-CE2 3.42Å; T76-F142 VanDerWaalsContact CG2-CE2 3.42Å; T76-F142 HydrophobicContact CG2-CZ 4.18Å; P140-F142 HydrophobicContact CB-CD2 4.23Å; P140-F142 HydrophobicContact CB-CE2 3.58Å; P140-F142 HydrophobicContact CB-CZ 3.87Å; P140-F142 HydrophobicContact CG-CE2 3.65Å; P140-F142 HydrophobicContact CG-CZ 3.97Å; F142-W144 HydrophobicContact CD1-CZ2 4.28Å; F142-W144 AromaticContact CD1-NE1 3.86Å; F142-W144 PolarHBondContact O-N 3.4Å; F142-I145 HydrophobicContact CB-CB 4.24Å; F142-I145 HydrophobicContact CB-CD1 3.92Å; F142-I145 HydrophobicContact CB-CG1 4.11Å; F142-I145 HydrophobicContact CD1-CD1 3.37Å; F142-I145 HydrophobicContact CD1-CG1 4.13Å; F142-I145 HydrophobicContact CE1-CD1 4.19Å; F142-I145 HydrophobicContact CG-CD1 3.96Å; F142-I145 PolarHBondContact O-N 2.94Å
143E79.9Confident65Low112 Ų11286.9 Ų86.952%0.52343%0.429SS..THydrogen-bonded Turntrans-58.6-38.4177.6-69.7-61.9143.200111.6K141 I145 K146K141-E143 HydrophobicContact CB-CG 4.22Å; K141-E143 PolarHBondContact O-N 3.05Å; E143-I145 VanDerWaalsContact C-N 3.35Å; E143-I145 PolarHBondContact O-N 3.15Å; E143-K146 VanDerWaalsContact O-CB 3.32Å; E143-K146 WeakPolarHBondContact O-CB 3.35Å; E143-K146 WeakPolarHBondContact O-CG 3.49Å; E143-K146 PolarHBondContact O-N 3.38Å; E143-K146 WeakPolarHBondContact OE1-CE 3.48Å; E143-K146 IonicContact OE1-NZ 2.81Å; E143-K146 PolarHBondContact OE1-NZ 3.1Å; E143-K146 WeakPolarHBondContact OE2-CD 3.39Å; E143-K146 VanDerWaalsContact OE2-CE 3.26Å; E143-K146 WeakPolarHBondContact OE2-CE 3.38Å; E143-K146 IonicContact OE2-NZ 3.08Å; E143-K146 PolarHBondContact OE2-NZ 2.83Å
144W81.9Confident64.8Low30 Ų3093.7 Ų93.711%0.11445%0.445CS..G310 helixtrans-61.2-38.1177.662.4-84.2000112.9E15 V44 C46 E49 A51 F53 F142 K146 K147E15-W144 HydrophobicContact CG-CD2 4.45Å; E15-W144 HydrophobicContact CG-CE3 3.72Å; E15-W144 HydrophobicContact CG-CZ3 4.07Å; V44-W144 HydrophobicContact CB-CH2 4.08Å; V44-W144 HydrophobicContact CG1-CH2 3.65Å; V44-W144 HydrophobicContact CG1-CZ3 3.75Å; C46-W144 HydrophobicContact CB-CD2 3.58Å; C46-W144 HydrophobicContact CB-CE3 3.94Å; C46-W144 HydrophobicContact CB-CG 3.95Å; C46-W144 HydrophobicContact CB-CH2 4.2Å; C46-W144 HydrophobicContact CB-CZ2 3.88Å; C46-W144 HydrophobicContact CB-CZ3 4.23Å; E49-W144 PolarHBondContact OE2-NE1 2.75Å; A51-W144 HydrophobicContact CB-CH2 4.4Å; A51-W144 HydrophobicContact CB-CZ2 4.45Å; F53-W144 AromaticContact CE1-CH2 3.71Å; F53-W144 HydrophobicContact CE1-CH2 3.71Å; F53-W144 AromaticContact CE1-CZ3 3.74Å; F53-W144 HydrophobicContact CE1-CZ3 3.74Å; F53-W144 HydrophobicContact CZ-CE3 4.47Å; F53-W144 HydrophobicContact CZ-CH2 4.03Å; F53-W144 AromaticContact CZ-CZ3 3.54Å; F53-W144 HydrophobicContact CZ-CZ3 3.54Å; F142-W144 HydrophobicContact CD1-CZ2 4.28Å; F142-W144 AromaticContact CD1-NE1 3.86Å; F142-W144 PolarHBondContact O-N 3.4Å; W144-K146 PolarHBondContact O-N 3.05Å; W144-K146 VanDerWaalsContact O-N 3.17Å; W144-K147 WeakPolarHBondContact O-CG 3.5Å; W144-K147 PolarHBondContact O-N 3.49Å
145I85.4Confident64.6Low4 Ų492 Ų922%0.02144%0.442CS..G310 helixtrans-62.6-24.5178.6-62.1-171000112.2A51 I72 F142 E143 K147 Y148 K149A51-I145 HydrophobicContact CB-CD1 3.57Å; I72-I145 HydrophobicContact CB-CG2 4.46Å; I72-I145 HydrophobicContact CD1-CG2 3.83Å; I72-I145 HydrophobicContact CG2-CD1 3.93Å; I72-I145 HydrophobicContact CG2-CG2 4.22Å; F142-I145 HydrophobicContact CB-CB 4.24Å; F142-I145 HydrophobicContact CB-CD1 3.92Å; F142-I145 HydrophobicContact CB-CG1 4.11Å; F142-I145 HydrophobicContact CD1-CD1 3.37Å; F142-I145 HydrophobicContact CD1-CG1 4.13Å; F142-I145 HydrophobicContact CE1-CD1 4.19Å; F142-I145 HydrophobicContact CG-CD1 3.96Å; F142-I145 PolarHBondContact O-N 2.94Å; E143-I145 VanDerWaalsContact C-N 3.35Å; E143-I145 PolarHBondContact O-N 3.15Å; I145-K147 PolarHBondContact O-N 2.76Å; I145-K147 VanDerWaalsContact O-N 3.09Å; I145-Y148 PolarHBondContact O-N 2.87Å; I145-K149 HydrophobicContact CG2-CD 4.12Å; I145-K149 HydrophobicContact CG2-CG 4.18Å; I145-K149 PolarHBondContact O-N 3.44Å
146K81.8Confident64.5Low111 Ų11192 Ų9248%0.48344%0.44SS..G310 helixtrans-61.5-22.4-177-63.1-178.5-1771730113.7E143 W144E143-K146 VanDerWaalsContact O-CB 3.32Å; E143-K146 WeakPolarHBondContact O-CB 3.35Å; E143-K146 WeakPolarHBondContact O-CG 3.49Å; E143-K146 PolarHBondContact O-N 3.38Å; E143-K146 WeakPolarHBondContact OE1-CE 3.48Å; E143-K146 IonicContact OE1-NZ 2.81Å; E143-K146 PolarHBondContact OE1-NZ 3.1Å; E143-K146 WeakPolarHBondContact OE2-CD 3.39Å; E143-K146 VanDerWaalsContact OE2-CE 3.26Å; E143-K146 WeakPolarHBondContact OE2-CE 3.38Å; E143-K146 IonicContact OE2-NZ 3.08Å; E143-K146 PolarHBondContact OE2-NZ 2.83Å; W144-K146 PolarHBondContact O-N 3.05Å; W144-K146 VanDerWaalsContact O-N 3.17Å
147K82.5Confident64.2Low95 Ų9592.3 Ų92.341%0.41345%0.449SS..G310 helixtrans-71.2-41.8174.579.2-165.6-175.8-177.10111.8E15 W144 I145 K150E15-K147 WeakPolarHBondContact OE1-CE 3.44Å; E15-K147 IonicContact OE1-NZ 3.86Å; E15-K147 PolarHBondContact OE1-NZ 2.74Å; E15-K147 WeakPolarHBondContact OE2-CE 3.07Å; E15-K147 IonicContact OE2-NZ 3.66Å; E15-K147 PolarHBondContact OE2-NZ 3.32Å; W144-K147 WeakPolarHBondContact O-CG 3.5Å; W144-K147 PolarHBondContact O-N 3.49Å; I145-K147 PolarHBondContact O-N 2.76Å; I145-K147 VanDerWaalsContact O-N 3.09Å; K147-K150 PolarHBondContact O-N 3.43Å
148Y83Confident64.1Low28 Ų2894 Ų9411%0.1145%0.45CS..Hα-helixtrans-68-36.9179-69.4-68.4000112.6T10 L11 G12 E15 F53 L69 I72 I145 K150 S151 I152T10-Y148 PolarHBondContact O-OH 2.89Å; L11-Y148 WeakPolarHBondContact CA-OH 3.31Å; G12-Y148 PolarHBondContact N-OH 2.89Å; E15-Y148 PolarHBondContact OE2-OH 3.16Å; F53-Y148 HydrophobicContact CE2-CD1 4.33Å; F53-Y148 AromaticContact CE2-CD2 3.75Å; F53-Y148 HydrophobicContact CE2-CD2 3.75Å; F53-Y148 HydrophobicContact CE2-CE1 4.49Å; F53-Y148 AromaticContact CE2-CE2 3.91Å; F53-Y148 HydrophobicContact CE2-CE2 3.91Å; F53-Y148 AromaticContact CE2-CG 4Å; F53-Y148 HydrophobicContact CE2-CG 4Å; F53-Y148 AromaticContact CZ-CD2 3.83Å; F53-Y148 HydrophobicContact CZ-CD2 3.83Å; F53-Y148 HydrophobicContact CZ-CE2 4.06Å; F53-Y148 HydrophobicContact CZ-CG 4.44Å; L69-Y148 HydrophobicContact CD2-CD1 3.61Å; L69-Y148 HydrophobicContact CD2-CE1 4.47Å; L69-Y148 HydrophobicContact CD2-CG 4.01Å; I72-Y148 HydrophobicContact CD1-CD2 4.39Å; I72-Y148 HydrophobicContact CD1-CG 4.12Å; I145-Y148 PolarHBondContact O-N 2.87Å; Y148-K150 PolarHBondContact O-N 2.71Å; Y148-K150 VanDerWaalsContact O-N 3.08Å; Y148-S151 WeakPolarHBondContact O-CA 3.33Å; Y148-S151 WeakPolarHBondContact O-CB 3.2Å; Y148-S151 PolarHBondContact O-N 2.78Å; Y148-I152 PolarHBondContact O-N 2.61Å
149K70.9Confident63.2Low86 Ų8694.4 Ų94.437%0.37445%0.449SS..Hα-helixtrans-64.8-11.2176.6-67.5-171.3171.7-173.10114.5I145I145-K149 HydrophobicContact CG2-CD 4.12Å; I145-K149 HydrophobicContact CG2-CG 4.18Å; I145-K149 PolarHBondContact O-N 3.44Å
150K60Low62.4Low162 Ų16294.7 Ų94.770%0.70445%0.453SS*.Hα-helixtrans-84.8-24.6167.1-65.2-178.5-179.7178.70113.3K147 Y148K147-K150 PolarHBondContact O-N 3.43Å; Y148-K150 PolarHBondContact O-N 2.71Å; Y148-K150 VanDerWaalsContact O-N 3.08Å
151S58Low61.1Low65 Ų6599 Ų9946%0.45548%0.483SS..Hα-helixtrans-77.3-48.4176.8-158.40000111Y148 K153 R154 Q155Y148-S151 WeakPolarHBondContact O-CA 3.33Å; Y148-S151 WeakPolarHBondContact O-CB 3.2Å; Y148-S151 PolarHBondContact O-N 2.78Å; S151-K153 VanDerWaalsContact C-N 3.31Å; S151-K153 PolarHBondContact O-N 2.87Å; S151-R154 WeakPolarHBondContact O-CA 3.43Å; S151-R154 WeakPolarHBondContact O-CB 3.46Å; S151-R154 PolarHBondContact O-N 3.15Å; S151-Q155 PolarHBondContact O-N 2.92Å
152I65.1Low59.5Low20 Ų2097 Ų9710%0.10347%0.471CS..Hα-helixtrans-53.1-48.2177.3-64.8163.6000110.6L69 E70 I72 Y148 R154 Q155 E156L69-I152 HydrophobicContact CG-CD1 4.45Å; L69-I152 HydrophobicContact CG-CG1 4.46Å; E70-I152 VanDerWaalsContact O-CG2 3.3Å; E70-I152 WeakPolarHBondContact O-CG2 3.14Å; I72-I152 HydrophobicContact CG1-CD1 4.46Å; Y148-I152 PolarHBondContact O-N 2.61Å; I152-R154 PolarHBondContact O-N 3.37Å; I152-R154 VanDerWaalsContact O-N 3.15Å; I152-Q155 WeakPolarHBondContact O-CA 3.32Å; I152-Q155 PolarHBondContact O-N 2.95Å; I152-E156 HydrophobicContact CG2-CG 4.37Å; I152-E156 PolarHBondContact O-N 2.83Å
153K53.2Low57.2Low152 Ų152100.5 Ų100.566%0.66150%0.497SS*.Hα-helixtrans-63-18.3176.4-74.8-167.7169.6-162.50115.7S151 E156S151-K153 VanDerWaalsContact C-N 3.31Å; S151-K153 PolarHBondContact O-N 2.87Å; K153-E156 WeakPolarHBondContact CG-OE2 3.5Å
154R46.4Very low54.8Low206 Ų206105.8 Ų105.878%0.77751%0.512SS*.Hα-helixtrans-82.2-27.8169.9-86.5-177.4165.6-174.8-4.7112.3S151 I152S151-R154 WeakPolarHBondContact O-CA 3.43Å; S151-R154 WeakPolarHBondContact O-CB 3.46Å; S151-R154 PolarHBondContact O-N 3.15Å; I152-R154 PolarHBondContact O-N 3.37Å; I152-R154 VanDerWaalsContact O-N 3.15Å
155Q45.8Very low52.6Low86 Ų86110.8 Ų110.840%0.40253%0.532SS..Hα-helixtrans-84.8-35.1176.9-66.6-173.4-22.100112.4L69 S151 I152 A157 M158L69-Q155 PolarHBondContact O-OE1 3.43Å; S151-Q155 PolarHBondContact O-N 2.92Å; I152-Q155 WeakPolarHBondContact O-CA 3.32Å; I152-Q155 PolarHBondContact O-N 2.95Å; Q155-A157 PolarHBondContact O-N 3.1Å; Q155-A157 VanDerWaalsContact O-N 3.13Å; Q155-M158 PolarHBondContact O-N 2.9Å
156E46.3Very low50.3Low102 Ų102116.7 Ų116.748%0.47756%0.557SS.*G310 helixtrans-53.5-30.4169.5-75.2-176.7125.700112I152 K153 M158 K166I152-E156 HydrophobicContact CG2-CG 4.37Å; I152-E156 PolarHBondContact O-N 2.83Å; K153-E156 WeakPolarHBondContact CG-OE2 3.5Å; E156-M158 PolarHBondContact O-N 2.81Å; E156-K166 IonicContact OE1-NZ 3.02Å
157A42.1Very low48Very low85 Ų85118.8 Ų118.870%0.70257%0.569SS**G310 helixtrans-74.8-3.2178.200000114.9Q155Q155-A157 PolarHBondContact O-N 3.1Å; Q155-A157 VanDerWaalsContact O-N 3.13Å
158M41.3Very low45.5Very low167 Ų167118.7 Ų118.782%0.82358%0.576SS**G310 helixtrans-128.39.7-174.6-63.5-163.673.900115Q155 E156Q155-M158 PolarHBondContact O-N 2.9Å; E156-M158 PolarHBondContact O-N 2.81Å
159K34.9Very low43Very low157 Ų157124.3 Ų124.368%0.68360%0.601SS**  trans-137.9136.8171.4-73-173.3178.4179.80112.1
160P37Very low41.1Very low112 Ų112127.7 Ų127.773%0.72762%0.624SS**  trans-72.2176.7159.433.7-34.1000110.9
161C36.6Very low39.7Very low119 Ų119127.2 Ų127.280%0.80463%0.628SS**SBendtrans74.841.5170.2-57.30000118.4
162W36Very low38.2Very low119 Ų119133.6 Ų133.645%0.45165%0.648SS.*SBendtrans-129.7-5.3154.8-102.393.2000114.3E70 W164E70-W162 PolarHBondContact OE1-NE1 3.46Å; W162-W164 PolarHBondContact O-N 3.15Å
163C33.4Very low36.4Very low92 Ų92138.6 Ų138.662%0.62268%0.681SS**THydrogen-bonded Turntrans-78.1-20.7-169-58.70000115.8
164W28.9Very low35.1Very low224 Ų224136.6 Ų136.685%0.84869%0.687SS**THydrogen-bonded Turntrans-72.1-42.1-170.5-90.755.5000113.7W162 K166 Q167W162-W164 PolarHBondContact O-N 3.15Å; W164-K166 VanDerWaalsContact C-N 3.29Å; W164-K166 PolarHBondContact O-N 2.99Å; W164-Q167 PolarHBondContact O-N 3.02Å
165Y35.3Very low34.1Very low134 Ų134133 Ų13353%0.52569%0.687SS.*THydrogen-bonded Turntrans-67.9-28.3-176.1-165.8-115.1000113.2Q167Y165-Q167 VanDerWaalsContact C-N 3.25Å; Y165-Q167 PolarHBondContact O-N 2.69Å
166K37.3Very low32.9Very low129 Ų129137.5 Ų137.556%0.56171%0.708SS**THydrogen-bonded Turntrans-74.4-5.7178.8-76.2172176.9162.90114.3E156 W164E156-K166 IonicContact OE1-NZ 3.02Å; W164-K166 VanDerWaalsContact C-N 3.29Å; W164-K166 PolarHBondContact O-N 2.99Å
167Q33.1Very low31.8Very low154 Ų154142 Ų14272%0.7273%0.727SS**THydrogen-bonded Turntrans-109.6-16.7-175.7-73.7-170.5-36.900115.8W164 Y165W164-Q167 PolarHBondContact O-N 3.02Å; Y165-Q167 VanDerWaalsContact C-N 3.25Å; Y165-Q167 PolarHBondContact O-N 2.69Å
168T30.2Very low31Very low94 Ų94144.1 Ų144.158%0.57773%0.733SS**THydrogen-bonded Turntrans-90.9-6.3-165.550.40000116.6
169K31.7Very low30.2Very low146 Ų146141 Ų14164%0.63574%0.735SS**THydrogen-bonded Turntrans-99.5-6.4-179.9-80.4-177.4177171.50116.1L171K169-L171 PolarHBondContact O-N 3.21Å
170N31.6Very low29.8Very low157 Ų157143.3 Ų143.384%0.8475%0.745SS**  trans-96.482.6178.5-82.5-12000112.1
171L29.6Very low29.2Very low151 Ų151147.1 Ų147.179%0.79175%0.752SS**  trans-127.830.1179.4-107.1170.4000114.9K169K169-L171 PolarHBondContact O-N 3.21Å
172F25.5Very low28.7Very low199 Ų199150 Ų15087%0.87376%0.759SS**SBendtrans-137.2129.3162.4-74.8-75.7000110.5
173P27.6Very low28.1Very low125 Ų125147.4 Ų147.481%0.81277%0.768SS**PPolyproline II helixtrans-80.4121.5-179.430.8-33.1000111.9
174S25.6Very low27.7Very low111 Ų111150.9 Ų150.978%0.77678%0.775SS**PPolyproline II helixtrans-79.7131.1169.452.40000111.3
175V25.3Very low27.4Very low130 Ų130148 Ų14879%0.78877%0.771SS**PPolyproline II helixtrans-78.6125.2175.9178.80000110.3
176E22.1Very low26.9Very low180 Ų180148.4 Ų148.484%0.84179%0.787SS**PPolyproline II helixtrans-81.7148.5174.6-65.5-169.8137.600112.8
177F21.9Very low26.1Very low196 Ų196151.8 Ų151.886%0.8680%0.802SS**  trans-128.5127.8159.8-90.4-86.3000109.1
178P25.9Very low26.4Very low130 Ų130149.5 Ų149.584%0.84480%0.801SS**  trans-86.2130.1-174.832.1-33.9000112.8
179A25.3Very low26Very low103 Ų103150.1 Ų150.185%0.85181%0.809SS**  trans-116.2135.8167.600000110.3
180K25.7Very low25.6Very low205 Ų205148.6 Ų148.689%0.89182%0.815SS**  trans-91.1156.9-173.8-75.4-179.3174.9178.60113.1
181H25.7Very low25.1Very low191 Ų191148.4 Ų148.488%0.88481%0.813SS**  trans-56.3144.4170.3-64.1-78.2000113.9
182L26.1Very low24.8Very low181 Ų181150.8 Ų150.895%0.94882%0.817SS**  trans-152.2164.2138.8-102.3165.6000107.3
183G21.7Very low24.7Very low63 Ų63146.3 Ų146.365%0.64982%0.817SS**  trans-170.3-159.6-174.400000115.1
184H25.2Very low24.5Very low166 Ų166144.5 Ų144.577%0.76981%0.812SS**  trans79.8111.1-175.6-76.9-99.7000118.5
185E23.3Very low24.5Very low163 Ų163145.7 Ų145.776%0.76282%0.819SS**  53.8130.5128-60.2175.3127.400122.3
186V24.1Very low24.4Very low142 Ų142143.6 Ų143.686%0.86181%0.81SS**  174.8146.7115.1152.60000111.1
187F20.8Very low24.6Very low200 Ų200140.1 Ų140.188%0.87781%0.806SS**  trans-114.6170.5172.1-94.8-83.4000109.2
188P40.2Very low24.6Very low106 Ų106136.4 Ų136.469%0.68880%0.803SS**  cis-132-169.1-14.239.5-22000113.4
189S21.6Very low24.5Very low107 Ų107139.6 Ų139.675%0.74880%0.804SS**  trans127.8118137.873.60000119.2
190C22.1Very low24.4Very low114 Ų114141.1 Ų141.177%0.7780%0.802SS**  trans51.8132.7131.7-61.60000124.8
191I22.7Very low24.2Very low153 Ų153140.2 Ų140.279%0.78580%0.799SS**  trans88.6125.7142.7-69.2162.2000119.4
192F22.4Very low24Very low202 Ų202135.8 Ų135.889%0.88679%0.789SS**  trans12.7119.6159.6-75.8-101.7000120.6
193A24.1Very low23.9Very low105 Ų105134.6 Ų134.687%0.86878%0.783SS**  trans-144.5127.1140.100000109.7
194A23.7Very low23.9Very low86 Ų86139.5 Ų139.571%0.71179%0.789SS**  trans-90.2168.6175.900000111.7S196A194-S196 PolarHBondContact O-N 3.17Å
195C24.7Very low23.9Very low137 Ų137141.3 Ų141.393%0.92680%0.798SS**  trans-82.3106.7-177.9-168.70000112.4
196S23.2Very low23.9Very low86 Ų86136.6 Ų136.660%0.60179%0.793SS**  trans-166.298.2162.849.40000108.1A194A194-S196 PolarHBondContact O-N 3.17Å
197S25.7Very low24Very low106 Ų106140 Ų14074%0.74180%0.796SS**  83.812277.668.80000113.7
198C22.9Very low24.2Very low119 Ų119134.7 Ų134.780%0.80479%0.79SS**  trans-177.9134134.9-105.60000112.4
199F24.4Very low23.6Very low197 Ų197139.3 Ų139.386%0.86480%0.799SS**  trans-78141.2151.2-106.1-98.9000108.1
200V22.3Very low23.9Very low134 Ų134140.6 Ų140.681%0.81280%0.803SS**  trans-121.5131.8165.6179.20000108.1
201F21.6Very low25.1Very low186 Ų186140.5 Ų140.582%0.81680%0.8SS**  trans-104.8155-175.7-132.2-83.9000111.3
202S21.6Very low25.5Very low98 Ų98138.9 Ų138.969%0.68580%0.8SS**  trans69.3115.5167-163.30000117.6
203L22.6Very low26Very low157 Ų157134.1 Ų134.182%0.82279%0.789SS**  -153.8163.9107.4-110.9169.2000112
204Q22.4Very low26.1Very low166 Ų166136.2 Ų136.278%0.77678%0.784SS**  trans-77.8141.3-168-58.8159.6-2300112.6
205Q25.2Very low26.1Very low203 Ų203137.5 Ų137.595%0.94978%0.783SS**  -168.2142.4119.4-106.3169.571.600110.2
206G23Very low26Very low65 Ų65136.5 Ų136.567%0.6777%0.773SS**  trans-135156178.400000112.2
207K26.8Very low26Very low212 Ų212139.7 Ų139.792%0.92278%0.783SS**  trans-167.5152.2153.8-105.6152-170.7176.20111.2
208A25.1Very low25.9Very low90 Ų90138.8 Ų138.874%0.74478%0.781SS**  trans-19.7151170.800000117.6
209K27.5Very low25.9Very low203 Ų203144.8 Ų144.888%0.88379%0.788SS**  cis-144.8167.849.9-75.1176.8-179.31770116.3
210T28.1Very low25.8Very low134 Ų134140 Ų14082%0.82279%0.785SS**  trans-78.7166.7-174.428.10000114.7
211P46.2Very low25.8Very low111 Ų111136.7 Ų136.772%0.72178%0.777SS**  trans-84.4-170.8-171.337.6-39.6000113.3
212P31.2Very low25.8Very low119 Ų119135.6 Ų135.677%0.77378%0.779SS**  -140.4-161.8109.848.6-35.5000111.6
213P34.6Very low25.9Very low102 Ų102138.2 Ų138.266%0.66278%0.778SS**  -140.8169.1-111.138.4-14.3000118.3
214I24.3Very low26Very low149 Ų149136.5 Ų136.576%0.76477%0.765SS**  42.6149.5129.8-55.9169000121.5
215T23.8Very low26.2Very low113 Ų113134.3 Ų134.369%0.69376%0.759SS**  trans80.8112.6159.530.50000121.2
216T23.4Very low26.2Very low117 Ų117130.5 Ų130.572%0.71875%0.745SS**  40.5157.9116.667.50000121.2
217L23.3Very low26.4Very low153 Ų153131.1 Ų131.180%0.80174%0.744SS**  cis-169.2163.329.5-138.5152.6000110
218A23.2Very low26.3Very low86 Ų86130.6 Ų130.671%0.71174%0.736SS**  trans62.9178.2152.900000119.1
219W22.4Very low26.3Very low246 Ų246131.5 Ų131.593%0.93273%0.725SS**  -173.9153.3-52.3-154.964000107.5
220A22.7Very low26.4Very low97 Ų97129.9 Ų129.980%0.80271%0.713SS**  trans61.8158.6-178.100000116.2
221G22.3Very low26.3Very low63 Ų63129.5 Ų129.565%0.64970%0.702SS**  cis152.2160.2-9.800000112.8
222L22.7Very low25.3Very low163 Ų163132.4 Ų132.485%0.85370%0.703SS**  trans67.9162.5176.6-53.4170.4000113.3
223K22.9Very low25.1Very low153 Ų153133.3 Ų133.367%0.66570%0.702SS**  cis-163.9175.3-6.8-117.2168.5175-143.80106.1
224H26Very low24.6Very low121 Ų121136.8 Ų136.856%0.5671%0.711SS**  cis-163.5146.11-129.4-40.6000107.7
225N25.4Very low24.6Very low120 Ų120134.9 Ų134.964%0.64271%0.711SS**  trans64.2161.3146.6-65.88.7000118.9
226N25.6Very low24.7Very low124 Ų124137.8 Ų137.866%0.66372%0.717SS**  cis-153.4149.7-8.8-111.7-2000109.9
227A27.1Very low24.7Very low77 Ų77141 Ų14164%0.63673%0.726SS**  26.8146.6123.300000119.9
228W24.1Very low24.8Very low201 Ų201138.9 Ų138.976%0.76172%0.719SS**  -148.3134.254.3-91.161.6000111
229E25.8Very low25Very low109 Ų109145.1 Ų145.151%0.50972%0.724SS.*  71.9147.2105.3-59.9-147.9152.100116.3
230R28.5Very low25.1Very low169 Ų169140.2 Ų140.264%0.63872%0.716SS**  cis-163170-12.6-103.6-175.9-150.4161.716.2104.5
231H26.3Very low25.2Very low126 Ų126141.8 Ų141.858%0.58372%0.722SS**  cis-172.9138.545.9-125.7-52.8000110.9
232K25Very low25.2Very low172 Ų172142.1 Ų142.175%0.74873%0.725SS**  trans50.6157.5143.2-75.5178.3174.8-172.60122.5
233D26.8Very low25.1Very low139 Ų139142 Ų14274%0.74372%0.722SS**  cis158.4169.2-30.3-94.2-43.9000108.2
234M24.3Very low25.1Very low175 Ų175142.6 Ų142.686%0.86273%0.725SS**  trans84.8141168.5-52.2-159.1-4400117
235S25.4Very low24.8Very low108 Ų108143.5 Ų143.576%0.75573%0.732SS**  cis-162.1163.5-14.946.20000111.8
236E26.4Very low24.7Very low175 Ų175145.4 Ų145.482%0.81874%0.741SS**  trans-66.9159.3173.9-52164.710800113.5
237M23.2Very low25Very low184 Ų184144.7 Ų144.791%0.90674%0.743SS**  trans-157.9170.6132.6-114177.170.700111.6
238T25.3Very low24.7Very low108 Ų108150.4 Ų150.466%0.66375%0.753SS**  trans-141.6172.8-152.854.10000115.1
239R26.9Very low24.6Very low217 Ų217145.4 Ų145.482%0.81976%0.755SS**  trans96.5119.9152.9-72.9-176.4163.8148.7-0.7122.7
240D24.1Very low24.5Very low143 Ų143148.3 Ų148.377%0.76577%0.773SS**  51.8116.2123.5-60.6-42.4000123.4
241S24.6Very low24.2Very low131 Ų131146.6 Ų146.692%0.91678%0.775SS**  173.8158.8125.940.90000110.5
242G22.1Very low24.1Very low70 Ų70147.1 Ų147.172%0.72279%0.787SS**  cis164.2106.7-11.700000115.1
243M21.5Very low23.9Very low161 Ų161145.1 Ų145.179%0.79378%0.784SS**  trans76.5126152.1-70.4172.562.600124.4
244K22.4Very low23.8Very low165 Ų165144.4 Ų144.472%0.71779%0.791SS**  trans80.6120.8140.7-67.2-176.7172.21740120.6
245I21.1Very low23.7Very low140 Ų140144.5 Ų144.572%0.71879%0.789SS**  91144.761.5-63.7167.9000113.7
246I22.8Very low23.6Very low159 Ų159145.8 Ų145.882%0.81578%0.783SS**  trans87.1149.5164.740.8-175.3000120.3
247P31.4Very low23.6Very low110 Ų110141.4 Ų141.471%0.71478%0.777SS**  -143.4-143-125.146.5-23.2000115.1
248K21.6Very low23.6Very low196 Ų196142.6 Ų142.685%0.85277%0.771SS**  trans86.8123.5-176.5-59.4179.5177.1-179.50112.4
249A22.2Very low23.6Very low97 Ų97145.3 Ų145.380%0.80278%0.776SS**  cis87.7121.237.700000113.7
250L22.8Very low23.4Very low169 Ų169141.7 Ų141.789%0.88577%0.773SS**  trans-149128.2164.2-123.7160.4000108
251I22.1Very low23.5Very low133 Ų133141.2 Ų141.268%0.68278%0.775SS**  trans-101137.8175-63.9160.5000106.7D253I251-D253 WeakPolarHBondContact CG2-OD2 3.25Å
252V24.2Very low23.5Very low137 Ų137144 Ų14483%0.8377%0.774SS**  trans-140.7124.2151.3-175.90000107.4
253D21.2Very low23.6Very low130 Ų130144.3 Ų144.370%0.69578%0.777SS**  trans-86156.3-179.7-50.3-83.8000112I251I251-D253 WeakPolarHBondContact CG2-OD2 3.25Å
254S24.8Very low23.7Very low125 Ų125141.8 Ų141.887%0.87478%0.782SS**  trans-152.4121.5141.945.20000111.2
255E22.3Very low23.7Very low177 Ų177140.3 Ų140.383%0.82779%0.786SS**  trans-81.1174.9170-54.3169.2115.800108.9
256E23.8Very low23.9Very low135 Ų135139.4 Ų139.463%0.63179%0.792SS**  cis-158.1-163.64.3-145.5-154.7136.900110.6R258E256-R258 IonicContact OE1-CZ 2.83Å; E256-R258 IonicContact OE1-NE 2.71Å; E256-R258 IonicContact OE1-NH1 2.91Å; E256-R258 PolarHBondContact OE1-NH1 3.22Å
257A25Very low23.9Very low83 Ų83141.3 Ų141.369%0.68680%0.795SS**  trans73.7120.3174.700000116.5
258R23.5Very low23.5Very low209 Ų209139.8 Ų139.879%0.78980%0.799SS**  cis72.4131.945.4-60.6176.1155.4143.5-9.4111.8E256E256-R258 IonicContact OE1-CZ 2.83Å; E256-R258 IonicContact OE1-NE 2.71Å; E256-R258 IonicContact OE1-NH1 2.91Å; E256-R258 PolarHBondContact OE1-NH1 3.22Å
259E24.6Very low23.5Very low164 Ų164142.2 Ų142.277%0.76680%0.803SS**  cis-135.9157.519.8-68.1-175.2111.600115.4
260N24.3Very low23.5Very low141 Ų141149.9 Ų149.975%0.75481%0.812SS**  trans16.3148.8133.9-49-33.8000120.3
261T25.4Very low23.5Very low133 Ų133145.4 Ų145.482%0.81681%0.806SS**  cis-141.1159.834.152.10000116.6
262E24Very low23.4Very low191 Ų191150.7 Ų150.789%0.89382%0.818SS**  trans-40.9165.3165.4-50.3171.1144.900115.8
263G24Very low23.4Very low75 Ų75151 Ų15177%0.77382%0.82SS**  cis175.7179.7500000109.3
264A24.8Very low23.3Very low108 Ų108153.9 Ų153.989%0.89383%0.826SS**  cis-153.6175.64.200000112.2
265V22.2Very low23.3Very low134 Ų134154 Ų15481%0.81282%0.824SS**  trans-92.9146.6-165.8171.50000114.9
266S24.1Very low23.2Very low122 Ų122156.1 Ų156.185%0.85383%0.826SS**  trans-13786.1157.858.80000115.1
267K24.1Very low23Very low198 Ų198157.6 Ų157.686%0.86184%0.838SS**  trans-0.5115.7157.3-64.9164.9177.5169.10118.1
268G22.1Very low22.9Very low79 Ų79161.8 Ų161.881%0.81485%0.848SS**  trans-75.1150.6160.100000113
269R22.4Very low22.7Very low246 Ų246163 Ų16393%0.92885%0.853SS**  trans-132.1117.6177.5-167.9-179.6-169.1-175.34.3110.3
270W21.8Very low22.5Very low259 Ų259159.7 Ų159.798%0.98185%0.854SS**  trans-74.9134.2179.9-8056.8000111.7
271G23.2Very low22.4Very low75 Ų75159.3 Ų159.377%0.77386%0.857SS**  trans-128.9129.8169.800000110.3
272R20.6Very low22.2Very low244 Ų244159.9 Ų159.992%0.92186%0.855SS**  trans-97130.3176.5-69.9178.7174.5177.5-2.7110.5
273T22.7Very low22Very low144 Ų144157.8 Ų157.888%0.88385%0.849SS**  trans-133.2150.4159.938.10000110
274K20.7Very low22Very low189 Ų189163 Ų16382%0.82285%0.854SS**PPolyproline II helixtrans-90.8152-173.9-65.7176.3178178.40111.1
275P23.3Very low21.8Very low127 Ų127169.2 Ų169.283%0.82586%0.856SS**PPolyproline II helixtrans-69.3146.916930.8-34.9000111.3
276Y20.4Very low21.8Very low222 Ų222168.4 Ų168.487%0.87185%0.851SS**PPolyproline II helixtrans-103.6136.6168.6-88.7-97.2000110.1
277N20.6Very low21.6Very low166 Ų166168.7 Ų168.789%0.88885%0.852SS**PPolyproline II helixtrans-76128.9169.1-73.8-28.1000110.1
278L21.8Very low21.5Very low172 Ų172163.3 Ų163.390%0.90184%0.835SS**  trans-128.5145.4161.4-94.5165.6000109.4
279R19.9Very low21.7Very low234 Ų234166 Ų16688%0.88383%0.83SS**  trans-80.1143.2-168-67.5172.2173.2156-4.3111.2
280A20.8Very low21.7Very low95 Ų95157.4 Ų157.479%0.78581%0.811SS**  trans-70.7138.1163.900000110.3
281T21.4Very low21.7Very low133 Ų133152.7 Ų152.782%0.81680%0.798SS**  trans-127.7132.5165.947.40000107.6
282N21.5Very low21.7Very low145 Ų145154.2 Ų154.278%0.77579%0.792SS**  trans-76.3170.6-168.4-70.2-11.6000113.8
283N20.9Very low21.8Very low146 Ų146151.2 Ų151.278%0.78179%0.786SS**  trans83.495.2168.5-54.9-6.3000116.3
284E22.1Very low21.8Very low185 Ų185155.2 Ų155.286%0.86479%0.785SS**  -168.4117.9108.8-103.3176.2-171.300110.1V286E284-V286 PolarHBondContact O-N 2.84Å
285Y21.5Very low21.9Very low238 Ų238156.5 Ų156.593%0.93378%0.784SS**  trans-91.395.2177.8-80.9-82.5000110.6
286V21.5Very low21.9Very low118 Ų118154.1 Ų154.172%0.71578%0.783SS**  trans-123.989.2167-175.90000108.6E284E284-V286 PolarHBondContact O-N 2.84Å
287C20.5Very low22Very low128 Ų128152.5 Ų152.587%0.86578%0.784SS**  trans-76.5133.6177.1-163.60000110.2
288T22.4Very low22.2Very low84 Ų84153.6 Ų153.652%0.51578%0.783SS.*  trans-144.2127.1168.6-63.20000109.2A290 L508T288-A290 PolarHBondContact O-N 3.08Å; T288-A290 VanDerWaalsContact O-N 3.11Å; T288-L508 HydrophobicContact CG2-CD2 4.31Å
289I25.4Very low22.4Very low137 Ų137155.6 Ų155.670%0.70379%0.785SS**  trans-17.9100.3179.1-53.6170000113.9F291I289-F291 HydrophobicContact CG2-CD2 4.45Å
290A22Very low22.6Very low65 Ų65149.6 Ų149.654%0.53777%0.774SS.*  trans-126.1110.9159.900000107.8T288 V292T288-A290 PolarHBondContact O-N 3.08Å; T288-A290 VanDerWaalsContact O-N 3.11Å; A290-V292 VanDerWaalsContact C-N 3.26Å; A290-V292 HydrophobicContact CB-CG2 3.82Å; A290-V292 PolarHBondContact O-N 2.81Å
291F23.5Very low22.9Very low159 Ų159149.3 Ų149.370%0.69777%0.766SS**  trans-71.590.6161-85.1-86.1000107.2I289 F293I289-F291 HydrophobicContact CG2-CD2 4.45Å; F291-F293 HydrophobicContact CB-CD2 3.98Å; F291-F293 HydrophobicContact CB-CE2 3.81Å; F291-F293 HydrophobicContact CD1-CE2 4.31Å; F291-F293 HydrophobicContact CG-CE2 4.35Å; F291-F293 PolarHBondContact O-N 2.98Å
292V21.6Very low23.3Very low107 Ų107150.7 Ų150.765%0.64877%0.769SS**  trans-75.675.8-176.8-177.60000109.6A290 R294A290-V292 VanDerWaalsContact C-N 3.26Å; A290-V292 HydrophobicContact CB-CG2 3.82Å; A290-V292 PolarHBondContact O-N 2.81Å; V292-R294 HydrophobicContact CG1-CG 3.96Å; V292-R294 PolarHBondContact O-N 3.06Å
293F23.9Very low23.9Very low182 Ų182153.5 Ų153.580%0.79877%0.774SS**  trans-70.471.7170.6-76.1-72.5000111.2F291 R295F291-F293 HydrophobicContact CB-CD2 3.98Å; F291-F293 HydrophobicContact CB-CE2 3.81Å; F291-F293 HydrophobicContact CD1-CE2 4.31Å; F291-F293 HydrophobicContact CG-CE2 4.35Å; F291-F293 PolarHBondContact O-N 2.98Å; F293-R295 PolarHBondContact O-N 3.39Å; F293-R295 VanDerWaalsContact O-N 3.14Å
294R21.3Very low24.3Very low227 Ų227152.1 Ų152.186%0.85776%0.761SS**  trans-72.398162.3-79.9-177.3-174.9-162.64.2108.9V292 G296V292-R294 HydrophobicContact CG1-CG 3.96Å; V292-R294 PolarHBondContact O-N 3.06Å; R294-G296 PolarHBondContact O-N 2.8Å
295R24.4Very low24.5Very low216 Ų216145 Ų14582%0.81574%0.737SS**  trans-65.7124.8157-81.7-176.3166.3-164.7-7.6108.6F293F293-R295 PolarHBondContact O-N 3.39Å; F293-R295 VanDerWaalsContact O-N 3.14Å
296G23Very low25Very low77 Ų77137.9 Ų137.979%0.79472%0.722SS**  trans-77131.8153.300000108.5R294R294-G296 PolarHBondContact O-N 2.8Å
297E22.4Very low25.5Very low189 Ų189134.7 Ų134.788%0.88370%0.701SS**  trans-95.8102.1175.3-67.5-167.9148.500110.3
298E23.8Very low25.9Very low188 Ų188133.9 Ų133.988%0.87968%0.684SS**  trans-129.7145162.9-71.4-161.2138.700110.7
299K26.9Very low26.2Very low214 Ų214137.5 Ų137.593%0.9369%0.693SS**  trans-94.4113.4-174-66.2-179.9177.3-178.50110.7
300V24.6Very low26.6Very low109 Ų109133.7 Ų133.766%0.66168%0.676SS**  trans-137.7128.9173.9-173.40000111.5
301S26.1Very low27Very low89 Ų89132.8 Ų132.862%0.62266%0.662SS**  trans-1.8150175610000123.3K303S301-K303 PolarHBondContact O-N 3.33Å
302D30Very low27.5Very low162 Ų162131.2 Ų131.287%0.86666%0.655SS**G310 helixtrans-61.1-11.1-166-56.5-84.9000117.7K304 G305D302-K304 PolarHBondContact O-N 3.21Å; D302-G305 PolarHBondContact O-N 2.72Å
303K34.7Very low27.9Very low203 Ų203128 Ų12888%0.88364%0.643SS**G310 helixtrans-68.3-16.8-178.2-70.3-168.3176.3-1740114S301S301-K303 PolarHBondContact O-N 3.33Å
304K29.8Very low28.6Very low118 Ų118121.1 Ų121.151%0.51361%0.612SS.*G310 helixtrans-74.8-23.9175.5-88.9-176172.4-178.50114.8D302 S306 L307 E308D302-K304 PolarHBondContact O-N 3.21Å; K304-S306 PolarHBondContact O-N 2.82Å; K304-L307 PolarHBondContact O-N 3.01Å; K304-E308 HydrophobicContact CB-CG 4.35Å; K304-E308 PolarHBondContact O-N 2.73Å; K304-E308 VanDerWaalsContact O-N 3.17Å
305G26Very low29.3Very low35 Ų35114.2 Ų114.236%0.36159%0.592SS.*THydrogen-bonded Turntrans-66.6-6.3-162.500000117.4D302 K309D302-G305 PolarHBondContact O-N 2.72Å; G305-K309 WeakPolarHBondContact O-CD 3.25Å; G305-K309 WeakPolarHBondContact O-CE 3.48Å; G305-K309 WeakPolarHBondContact O-CG 3.42Å
306S31.4Very low29.9Very low88 Ų88109.6 Ų109.662%0.61558%0.578SS**THydrogen-bonded Turntrans-95.7-50.5173.2-154.80000112.1K304 E308 K309 V310K304-S306 PolarHBondContact O-N 2.82Å; S306-E308 VanDerWaalsContact C-N 3.29Å; S306-E308 PolarHBondContact O-N 3.27Å; S306-K309 WeakPolarHBondContact O-CB 3.19Å; S306-K309 PolarHBondContact O-N 3.23Å; S306-K309 VanDerWaalsContact O-N 3.1Å; S306-V310 PolarHBondContact O-N 3.15Å
307L32.5Very low30.7Very low52 Ų52109.1 Ų109.127%0.27255%0.554SS.*Hα-helixtrans-58.3-41.8175.3-9680.9000111.6K304 K309 V310 L311 P702K304-L307 PolarHBondContact O-N 3.01Å; L307-K309 PolarHBondContact O-N 3.3Å; L307-V310 PolarHBondContact O-N 3.17Å; L307-V310 VanDerWaalsContact O-N 3.13Å; L307-L311 PolarHBondContact O-N 2.92Å; L307-P702 HydrophobicContact CD1-CG 4.24Å
308E28.8Very low31.5Very low110 Ų110102.2 Ų102.251%0.51452%0.523SS..Hα-helixtrans-60.5-31.3178.9-72.2-171.8169.100112.8K304 S306 F312K304-E308 HydrophobicContact CB-CG 4.35Å; K304-E308 PolarHBondContact O-N 2.73Å; K304-E308 VanDerWaalsContact O-N 3.17Å; S306-E308 VanDerWaalsContact C-N 3.29Å; S306-E308 PolarHBondContact O-N 3.27Å; E308-F312 WeakPolarHBondContact O-CB 3.21Å; E308-F312 PolarHBondContact O-N 3.09Å
309K28.5Very low32.3Very low160 Ų16099.4 Ų99.470%0.69651%0.51SS*.Hα-helixtrans-70.7-39.1176-71172.9-175.4170.50112.1G305 S306 L307 G313G305-K309 WeakPolarHBondContact O-CD 3.25Å; G305-K309 WeakPolarHBondContact O-CE 3.48Å; G305-K309 WeakPolarHBondContact O-CG 3.42Å; S306-K309 WeakPolarHBondContact O-CB 3.19Å; S306-K309 PolarHBondContact O-N 3.23Å; S306-K309 VanDerWaalsContact O-N 3.1Å; L307-K309 PolarHBondContact O-N 3.3Å; K309-G313 PolarHBondContact O-N 2.89Å
310V32.6Very low32.8Very low58 Ų5896.1 Ų96.135%0.35250%0.496SS..Hα-helixtrans-70.8-45.1176.5-171.30000110.5V93 S306 L307 F312 G313 Y314V93-V310 HydrophobicContact CG2-CB 4.44Å; V93-V310 HydrophobicContact CG2-CG1 3.98Å; S306-V310 PolarHBondContact O-N 3.15Å; L307-V310 PolarHBondContact O-N 3.17Å; L307-V310 VanDerWaalsContact O-N 3.13Å; V310-F312 VanDerWaalsContact C-N 3.32Å; V310-F312 PolarHBondContact O-N 2.74Å; V310-G313 WeakPolarHBondContact O-CA 3.37Å; V310-G313 PolarHBondContact O-N 3.08Å; V310-G313 VanDerWaalsContact O-N 3.14Å; V310-Y314 PolarHBondContact O-N 3.13Å
311L32.1Very low33.5Very low45 Ų4591.6 Ų91.624%0.23647%0.469CS..Hα-helixtrans-59.8-42.2174.7-120.796.5000112.1V91 V93 L307 N315V91-L311 HydrophobicContact CB-CD2 4.29Å; V91-L311 HydrophobicContact CG1-CD1 4.22Å; V91-L311 HydrophobicContact CG1-CD2 3.86Å; V91-L311 VanDerWaalsContact O-CD1 3.22Å; V91-L311 WeakPolarHBondContact O-CD1 3.47Å; V93-L311 HydrophobicContact CG2-CD1 3.63Å; V93-L311 HydrophobicContact CG2-CG 4.47Å; L307-L311 PolarHBondContact O-N 2.92Å; L311-N315 WeakPolarHBondContact O-CB 3.36Å; L311-N315 PolarHBondContact O-N 2.88Å; L311-N315 PolarHBondContact O-ND2 3.39Å
312F33.1Very low34.1Very low127 Ų12793.3 Ų93.356%0.55747%0.467SS*.Hα-helixtrans-67.5-37.9176-173.4-109.2000111.3E308 V310 K316E308-F312 WeakPolarHBondContact O-CB 3.21Å; E308-F312 PolarHBondContact O-N 3.09Å; V310-F312 VanDerWaalsContact C-N 3.32Å; V310-F312 PolarHBondContact O-N 2.74Å; F312-K316 HydrophobicContact CE1-CD 4.08Å; F312-K316 HydrophobicContact CZ-CD 4.39Å; F312-K316 WeakPolarHBondContact O-CB 3.12Å; F312-K316 PolarHBondContact O-N 2.84Å
313G31.1Very low34.5Very low39 Ų3993.2 Ų93.240%0.40245%0.454SS..Hα-helixtrans-60.1-49.6172.300000112.8K309 V310 K316 F317K309-G313 PolarHBondContact O-N 2.89Å; V310-G313 WeakPolarHBondContact O-CA 3.37Å; V310-G313 PolarHBondContact O-N 3.08Å; V310-G313 VanDerWaalsContact O-N 3.14Å; G313-K316 PolarHBondContact O-N 3.27Å; G313-F317 WeakPolarHBondContact O-CB 3.13Å; G313-F317 PolarHBondContact O-N 3.21Å
314Y37.9Very low34.6Very low37 Ų3786 Ų8615%0.14543%0.43CS..Hα-helixtrans-67.7-48-178.9-171.5-110.3000112.5F114 V310 K316 F317 L318 M663F114-Y314 HydrophobicContact CE2-CE1 4.31Å; F114-Y314 HydrophobicContact CZ-CE1 4.22Å; V310-Y314 PolarHBondContact O-N 3.13Å; Y314-K316 VanDerWaalsContact C-N 3.3Å; Y314-K316 PolarHBondContact O-N 3.16Å; Y314-F317 WeakPolarHBondContact O-CA 3.24Å; Y314-F317 WeakPolarHBondContact O-CB 3.28Å; Y314-F317 PolarHBondContact O-N 2.95Å; Y314-F317 VanDerWaalsContact O-N 3.08Å; Y314-L318 HydrophobicContact CD1-CD1 3.99Å; Y314-L318 HydrophobicContact CE1-CD1 3.59Å; Y314-L318 HydrophobicContact CE1-CG 4.22Å; Y314-L318 PolarHBondContact O-N 3.2Å; Y314-M663 HydrophobicContact CD2-CE 3.73Å; Y314-M663 HydrophobicContact CE2-CE 3.83Å
315N36.8Very low35.2Very low83 Ų8382.4 Ų82.444%0.44442%0.416SS..Hα-helixtrans-62.9-37.1176.2-74.6-58.7000111.9L311 F317 L318 E319L311-N315 WeakPolarHBondContact O-CB 3.36Å; L311-N315 PolarHBondContact O-N 2.88Å; L311-N315 PolarHBondContact O-ND2 3.39Å; N315-F317 VanDerWaalsContact C-N 3.35Å; N315-L318 PolarHBondContact O-N 3.14Å; N315-E319 WeakPolarHBondContact O-CB 2.99Å; N315-E319 WeakPolarHBondContact O-CG 3.44Å; N315-E319 PolarHBondContact O-N 2.61Å
316K35.5Very low35.9Very low119 Ų11990.2 Ų90.252%0.51743%0.434SS..Hα-helixtrans-71.8-26.9174.4-169.4173.4-175.9176.80112.7F312 G313 Y314 K320F312-K316 HydrophobicContact CE1-CD 4.08Å; F312-K316 HydrophobicContact CZ-CD 4.39Å; F312-K316 WeakPolarHBondContact O-CB 3.12Å; F312-K316 PolarHBondContact O-N 2.84Å; G313-K316 PolarHBondContact O-N 3.27Å; Y314-K316 VanDerWaalsContact C-N 3.3Å; Y314-K316 PolarHBondContact O-N 3.16Å; K316-K320 WeakPolarHBondContact O-CB 3.44Å; K316-K320 PolarHBondContact O-N 3.03Å
317F40.3Very low36.2Very low67 Ų6789.8 Ų89.829%0.29442%0.424SS..Hα-helixtrans-68.7-46.9167.5175.9-92.7000110.9G313 Y314 N315 K320 S321 M663G313-F317 WeakPolarHBondContact O-CB 3.13Å; G313-F317 PolarHBondContact O-N 3.21Å; Y314-F317 WeakPolarHBondContact O-CA 3.24Å; Y314-F317 WeakPolarHBondContact O-CB 3.28Å; Y314-F317 PolarHBondContact O-N 2.95Å; Y314-F317 VanDerWaalsContact O-N 3.08Å; N315-F317 VanDerWaalsContact C-N 3.35Å; F317-K320 CarbonylContact O-C 3.59Å; F317-K320 WeakPolarHBondContact O-CA 3.47Å; F317-K320 WeakPolarHBondContact O-CB 3.35Å; F317-K320 PolarHBondContact O-N 2.82Å; F317-K320 VanDerWaalsContact O-N 3.11Å; F317-S321 WeakPolarHBondContact CE1-OG 3.47Å; F317-S321 WeakPolarHBondContact CZ-OG 3.47Å; F317-S321 WeakPolarHBondContact O-CB 3.47Å; F317-S321 PolarHBondContact O-N 3.22Å; F317-S321 PolarHBondContact O-OG 2.83Å; F317-M663 HydrophobicContact CD1-CE 4.05Å; F317-M663 HydrophobicContact CD1-SD 3.77Å; F317-M663 HydrophobicContact CE1-CE 4.3Å; F317-M663 HydrophobicContact CE1-SD 3.4Å; F317-M663 WeakPolarHBondContact CE1-SD 3.21Å; F317-M663 HydrophobicContact CE2-SD 4.2Å; F317-M663 HydrophobicContact CG-CE 4.33Å; F317-M663 HydrophobicContact CG-SD 4.33Å; F317-M663 HydrophobicContact CZ-SD 3.64Å
318L39.2Very low36.7Very low44 Ų4488.8 Ų88.823%0.2342%0.422CS..Hα-helixtrans-60.9-46.8175.5-69.5176.3000111.8Y314 N315 K320 S321 H322Y314-L318 HydrophobicContact CD1-CD1 3.99Å; Y314-L318 HydrophobicContact CE1-CD1 3.59Å; Y314-L318 HydrophobicContact CE1-CG 4.22Å; Y314-L318 PolarHBondContact O-N 3.2Å; N315-L318 PolarHBondContact O-N 3.14Å; L318-K320 VanDerWaalsContact C-N 3.28Å; L318-K320 PolarHBondContact O-N 2.91Å; L318-S321 PolarHBondContact O-N 2.81Å; L318-H322 WeakPolarHBondContact O-CB 3.39Å; L318-H322 PolarHBondContact O-CD2 3.5Å; L318-H322 PolarHBondContact O-N 2.87Å
319E39.5Very low37.4Very low129 Ų12992.5 Ų92.560%0.60343%0.432SS*.Hα-helixtrans-54.8-44.3170.9-80.1-163.7137.500111.7N315 R323N315-E319 WeakPolarHBondContact O-CB 2.99Å; N315-E319 WeakPolarHBondContact O-CG 3.44Å; N315-E319 PolarHBondContact O-N 2.61Å; E319-R323 VanDerWaalsContact O-CB 3.23Å; E319-R323 WeakPolarHBondContact O-CB 3.48Å; E319-R323 PolarHBondContact O-N 2.85Å
320K37.6Very low38.3Very low145 Ų14589 Ų8963%0.6343%0.433SS*.Hα-helixtrans-68.1-36.8-179.9-172-179.1-179.9-169.30111.8K316 F317 L318 R323 S324K316-K320 WeakPolarHBondContact O-CB 3.44Å; K316-K320 PolarHBondContact O-N 3.03Å; F317-K320 CarbonylContact O-C 3.59Å; F317-K320 WeakPolarHBondContact O-CA 3.47Å; F317-K320 WeakPolarHBondContact O-CB 3.35Å; F317-K320 PolarHBondContact O-N 2.82Å; F317-K320 VanDerWaalsContact O-N 3.11Å; L318-K320 VanDerWaalsContact C-N 3.28Å; L318-K320 PolarHBondContact O-N 2.91Å; K320-R323 CarbonylContact O-C 3.59Å; K320-R323 WeakPolarHBondContact O-CB 3.12Å; K320-R323 PolarHBondContact O-N 2.85Å; K320-S324 PolarHBondContact O-N 2.9Å; K320-S324 PolarHBondContact O-OG 2.87Å; K320-S324 VanDerWaalsContact O-OG 3.05Å
321S39.9Very low39.4Very low14 Ų1487.3 Ų87.310%0.09842%0.422CS..Hα-helixtrans-75.7-42.4178.8-66.80000112.1F317 L318 R323 S324 I325F317-S321 WeakPolarHBondContact CE1-OG 3.47Å; F317-S321 WeakPolarHBondContact CZ-OG 3.47Å; F317-S321 WeakPolarHBondContact O-CB 3.47Å; F317-S321 PolarHBondContact O-N 3.22Å; F317-S321 PolarHBondContact O-OG 2.83Å; L318-S321 PolarHBondContact O-N 2.81Å; S321-R323 PolarHBondContact O-N 3.23Å; S321-S324 WeakPolarHBondContact O-CB 3.34Å; S321-S324 PolarHBondContact O-N 3.02Å; S321-I325 WeakPolarHBondContact O-CG1 3.19Å; S321-I325 PolarHBondContact O-N 2.98Å
322H38.7Very low41Very low124 Ų12488.1 Ų88.157%0.57442%0.423SS*.Hα-helixtrans-63.8-30.2167.6-72.3-63.7000112.3L318L318-H322 WeakPolarHBondContact O-CB 3.39Å; L318-H322 PolarHBondContact O-CD2 3.5Å; L318-H322 PolarHBondContact O-N 2.87Å
323R37.9Very low42.9Very low160 Ų16087.1 Ų87.160%0.60442%0.416SS*.Hα-helixtrans-66.8-45.3165.5-100.2-177.3152.8136.6-5.6111.9E319 K320 S321 I325 R326 L327E319-R323 VanDerWaalsContact O-CB 3.23Å; E319-R323 WeakPolarHBondContact O-CB 3.48Å; E319-R323 PolarHBondContact O-N 2.85Å; K320-R323 CarbonylContact O-C 3.59Å; K320-R323 WeakPolarHBondContact O-CB 3.12Å; K320-R323 PolarHBondContact O-N 2.85Å; S321-R323 PolarHBondContact O-N 3.23Å; R323-I325 VanDerWaalsContact C-N 3.33Å; R323-I325 PolarHBondContact O-N 3.44Å; R323-R326 CarbonylContact O-C 3.56Å; R323-R326 VanDerWaalsContact O-C 3.31Å; R323-R326 WeakPolarHBondContact O-CA 3.35Å; R323-R326 PolarHBondContact O-N 2.87Å; R323-L327 HydrophobicContact CB-CD1 4Å; R323-L327 HydrophobicContact CG-CD1 3.77Å; R323-L327 WeakPolarHBondContact O-CA 3.3Å; R323-L327 WeakPolarHBondContact O-CB 3.42Å; R323-L327 WeakPolarHBondContact O-CG 3.37Å; R323-L327 PolarHBondContact O-N 2.87Å
324S37.5Very low45.2Very low53 Ų5390.5 Ų90.537%0.37142%0.42SS..Hα-helixtrans-59.3-41.8179.4-66.60000112K320 S321 R326 L327 S328K320-S324 PolarHBondContact O-N 2.9Å; K320-S324 PolarHBondContact O-OG 2.87Å; K320-S324 VanDerWaalsContact O-OG 3.05Å; S321-S324 WeakPolarHBondContact O-CB 3.34Å; S321-S324 PolarHBondContact O-N 3.02Å; S324-R326 PolarHBondContact O-N 3.41Å; S324-R326 VanDerWaalsContact O-N 3.15Å; S324-L327 PolarHBondContact O-N 3.01Å; S324-L327 VanDerWaalsContact O-N 3.17Å; S324-S328 WeakPolarHBondContact O-CB 3.47Å; S324-S328 PolarHBondContact O-N 2.88Å
325I42.3Very low47.3Very low42 Ų4293.1 Ų93.122%0.21543%0.432CS..Hα-helixtrans-57.6-28.7172.2-64.6164.6000112S321 R323 Y649 I656S321-I325 WeakPolarHBondContact O-CG1 3.19Å; S321-I325 PolarHBondContact O-N 2.98Å; R323-I325 VanDerWaalsContact C-N 3.33Å; R323-I325 PolarHBondContact O-N 3.44Å; I325-Y649 HydrophobicContact CG2-CE2 3.88Å; I325-I656 HydrophobicContact CD1-CD1 3.93Å; I325-I656 HydrophobicContact CD1-CG2 4.37Å; I325-I656 HydrophobicContact CG1-CD1 3.43Å; I325-I656 VanDerWaalsContact CG1-CD1 3.43Å
326R40Very low49.7Very low198 Ų19892.9 Ų92.975%0.74744%0.437SS*.Hα-helixtrans-100.6-9.4179.2-73.8179.5165.6175.3-2115.1R323 S324R323-R326 CarbonylContact O-C 3.56Å; R323-R326 VanDerWaalsContact O-C 3.31Å; R323-R326 WeakPolarHBondContact O-CA 3.35Å; R323-R326 PolarHBondContact O-N 2.87Å; S324-R326 PolarHBondContact O-N 3.41Å; S324-R326 VanDerWaalsContact O-N 3.15Å
327L39.3Very low52.1Low79 Ų7987.5 Ų87.541%0.41441%0.414SS..Hα-helixtrans-137.410.9-168.4-62.5176.5000113R323 S324 Y329R323-L327 HydrophobicContact CB-CD1 4Å; R323-L327 HydrophobicContact CG-CD1 3.77Å; R323-L327 WeakPolarHBondContact O-CA 3.3Å; R323-L327 WeakPolarHBondContact O-CB 3.42Å; R323-L327 WeakPolarHBondContact O-CG 3.37Å; R323-L327 PolarHBondContact O-N 2.87Å; S324-L327 PolarHBondContact O-N 3.01Å; S324-L327 VanDerWaalsContact O-N 3.17Å; L327-Y329 VanDerWaalsContact C-N 3.25Å; L327-Y329 HydrophobicContact CB-CE2 4.49Å; L327-Y329 HydrophobicContact CD2-CE2 4.45Å; L327-Y329 WeakPolarHBondContact O-CD2 3.22Å; L327-Y329 PolarHBondContact O-N 3.24Å
328S41.2Very low54.4Low31 Ų3186.8 Ų86.822%0.21741%0.409CS..  trans-6490.4159.8-178.10000108.5S324 A330 D331 Y332S324-S328 WeakPolarHBondContact O-CB 3.47Å; S324-S328 PolarHBondContact O-N 2.88Å; S328-A330 PolarHBondContact O-N 3.16Å; S328-D331 WeakPolarHBondContact CB-OD2 3.46Å; S328-D331 PolarHBondContact O-N 3.03Å; S328-D331 PolarHBondContact OG-OD2 2.94Å; S328-Y332 WeakPolarHBondContact O-CE2 3.44Å
329Y45.3Very low57Low188 Ų18884.7 Ų84.774%0.73740%0.398SS*.THydrogen-bonded Turntrans-64.4-4.9179.2-76.9-86.2000113.3L327L327-Y329 VanDerWaalsContact C-N 3.25Å; L327-Y329 HydrophobicContact CB-CE2 4.49Å; L327-Y329 HydrophobicContact CD2-CE2 4.45Å; L327-Y329 WeakPolarHBondContact O-CD2 3.22Å; L327-Y329 PolarHBondContact O-N 3.24Å
330A45.8Very low59.5Low86 Ų8678.6 Ų78.671%0.71137%0.37SS*.THydrogen-bonded Turntrans-87.2-23.3176.600000114S328 Y332S328-A330 PolarHBondContact O-N 3.16Å; A330-Y332 VanDerWaalsContact C-N 3.29Å; A330-Y332 PolarHBondContact O-N 2.99Å
331D55.9Low62.3Low23 Ų2371.7 Ų71.712%0.12334%0.34CS..SBendtrans-899.6-168.5-61.7-27.2000113.9S328 N645 A648 T652S328-D331 WeakPolarHBondContact CB-OD2 3.46Å; S328-D331 PolarHBondContact O-N 3.03Å; S328-D331 PolarHBondContact OG-OD2 2.94Å; D331-N645 WeakPolarHBondContact O-CB 3.4Å; D331-N645 PolarHBondContact O-N 3.14Å; D331-A648 HydrophobicContact CB-CB 4.27Å; D331-A648 WeakPolarHBondContact OD1-CB 3.27Å; D331-T652 PolarHBondContact OD2-OG1 2.91Å; D331-T652 VanDerWaalsContact OD2-OG1 3.12Å
332Y65.3Low65Low63 Ų6371 Ų7125%0.24734%0.335CS..EExtended strand (participates in β ladder)trans-111.3129.4179.8-59.7-75.9000112.1S328 A330 N472 K642 R643 V644S328-Y332 WeakPolarHBondContact O-CE2 3.44Å; A330-Y332 VanDerWaalsContact C-N 3.29Å; A330-Y332 PolarHBondContact O-N 2.99Å; Y332-N472 HydrophobicContact CD1-CB 4.2Å; Y332-N472 HydrophobicContact CE1-CB 3.81Å; Y332-N472 VanDerWaalsContact CE1-CG 3.47Å; Y332-K642 HydrophobicContact CD1-CB 4.46Å; Y332-R643 WeakPolarHBondContact CA-O 3.41Å; Y332-V644 HydrophobicContact CD1-CG2 4.46Å; Y332-V644 HydrophobicContact CE1-CG2 4.09Å
333Y73.3Confident67.8Low105 Ų10565.1 Ų65.141%0.41231%0.308SS..EExtended strand (participates in β ladder)trans-102.9156.216367.1-84.8000110.3F335 R643 V644 N645Y333-F335 HydrophobicContact CD2-CB 4.48Å; Y333-F335 HydrophobicContact CE2-CB 4.12Å; Y333-F335 HydrophobicContact CE2-CD2 4.32Å; Y333-R643 HydrophobicContact CD1-CB 4.42Å; Y333-R643 HydrophobicContact CD2-CB 4.4Å; Y333-R643 HydrophobicContact CE1-CB 3.88Å; Y333-R643 HydrophobicContact CE2-CB 3.84Å; Y333-R643 HydrophobicContact CE2-CG 4.5Å; Y333-R643 PolarHBondContact N-O 2.96Å; Y333-R643 PolarHBondContact O-N 3.08Å; Y333-V644 WeakPolarHBondContact CE1-O 3.48Å; Y333-N645 HydrophobicContact CD1-CB 4.25Å
334F80.3Confident70.5Confident110 Ų11057.5 Ų57.548%0.48228%0.279SS..EExtended strand (participates in β ladder)trans-92.5128.2170.2-70.5-80000109.3N613 G640 I641 K642F334-N613 VanDerWaalsContact CD1-ND2 3.32Å; F334-N613 WeakPolarHBondContact CD1-ND2 3.41Å; F334-N613 WeakPolarHBondContact CE1-ND2 3.45Å; F334-N613 WeakPolarHBondContact CE2-ND2 3.29Å; F334-N613 WeakPolarHBondContact CG-ND2 3.49Å; F334-N613 VanDerWaalsContact CZ-ND2 3.27Å; F334-N613 WeakPolarHBondContact CZ-ND2 3.42Å; F334-G640 WeakPolarHBondContact CD1-O 3.43Å; F334-I641 WeakPolarHBondContact CA-O 3.3Å; F334-K642 HydrophobicContact CD1-CG 3.99Å; F334-K642 HydrophobicContact CE1-CD 4.35Å; F334-K642 HydrophobicContact CE1-CG 3.42Å; F334-K642 VanDerWaalsContact CE1-CG 3.42Å; F334-K642 HydrophobicContact CZ-CG 3.95Å
335F80.7Confident73.3Confident92 Ų9255 Ų5540%0.40426%0.262SS..EExtended strand (participates in β ladder)trans-108.4140.7168.5-169.5-88.1000108.9Y333 G640 I641 R643Y333-F335 HydrophobicContact CD2-CB 4.48Å; Y333-F335 HydrophobicContact CE2-CB 4.12Å; Y333-F335 HydrophobicContact CE2-CD2 4.32Å; F335-G640 CarbonylContact O-C 3.51Å; F335-G640 WeakPolarHBondContact O-CA 3.41Å; F335-I641 PolarHBondContact N-O 2.87Å; F335-I641 PolarHBondContact O-N 2.88Å; F335-R643 HydrophobicContact CB-CG 4.1Å
336S87.8Confident75.6Confident78 Ų7853 Ų5355%0.54525%0.252SS..EExtended strand (participates in β ladder)trans-89.8110.1-178-690000110.7
337D85.5Confident78Confident6 Ų645.3 Ų45.33%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-108.1143.8176.5-68.4-61.7000110.5F339 F470 I639 I641 R643D337-F339 HydrophobicContact CB-CD2 4.46Å; D337-F339 HydrophobicContact CB-CE2 4.02Å; D337-F470 HydrophobicContact CB-CE1 4.14Å; D337-F470 WeakPolarHBondContact OD2-CE1 3.33Å; D337-I639 PolarHBondContact N-O 2.85Å; D337-I639 PolarHBondContact O-N 2.76Å; D337-I641 HydrophobicContact CB-CG1 4.09Å; D337-I641 WeakPolarHBondContact OD2-CB 3.35Å; D337-I641 VanDerWaalsContact OD2-CG1 3.3Å; D337-I641 WeakPolarHBondContact OD2-CG1 3.25Å; D337-R643 IonicContact OD1-CZ 3.1Å; D337-R643 IonicContact OD1-NH2 2.72Å; D337-R643 PolarHBondContact OD1-NH2 2.9Å; D337-R643 IonicContact OD2-CZ 3.67Å; D337-R643 IonicContact OD2-NE 2.64Å; D337-R643 IonicContact OD2-NH2 2.69Å; D337-R643 PolarHBondContact OD2-NH2 2.79Å
338R89.9Confident80.3Confident53 Ų5342.7 Ų42.720%0.222%0.217CC..EExtended strand (participates in β ladder)trans-95115.3-175.1-55.5-176.985.8165.46.6111.5E364 P366 D367 I368 E617 L636R338-E364 IonicContact NH1-OE2 2.64Å; R338-E364 PolarHBondContact NH1-OE2 3.27Å; R338-P366 HydrophobicContact CB-CB 4.4Å; R338-D367 WeakPolarHBondContact CB-OD2 3.48Å; R338-D367 PolarHBondContact N-OD2 3.33Å; R338-D367 PolarHBondContact O-N 3Å; R338-I368 PolarHBondContact O-N 3.09Å; R338-E617 IonicContact CZ-OE1 3.62Å; R338-E617 IonicContact CZ-OE2 3.89Å; R338-E617 IonicContact NE-OE1 3.78Å; R338-E617 IonicContact NE-OE2 2.78Å; R338-E617 PolarHBondContact NE-OE2 3.32Å; R338-E617 VanDerWaalsContact NH2-CD 3.31Å; R338-E617 IonicContact NH2-OE1 2.74Å; R338-E617 PolarHBondContact NH2-OE1 3Å; R338-E617 VanDerWaalsContact NH2-OE1 3.14Å; R338-E617 IonicContact NH2-OE2 3.62Å; R338-E617 PolarHBondContact NH2-OE2 3.46Å; R338-L636 HydrophobicContact CB-CD1 4.18Å
339F92.5Very high82.4Confident0 Ų043.8 Ų43.80%022%0.219CC..EExtended strand (participates in β ladder)trans-106.1111.8179.9-76.6-114.4000110.9D337 I368 F468 F470 I475 L524 L637 I639 I641D337-F339 HydrophobicContact CB-CD2 4.46Å; D337-F339 HydrophobicContact CB-CE2 4.02Å; F339-I368 CarbonylContact C-O 3.52Å; F339-I368 WeakPolarHBondContact CA-O 3.37Å; F339-I368 HydrophobicContact CD1-CB 3.89Å; F339-I368 HydrophobicContact CD1-CD1 4.31Å; F339-I368 HydrophobicContact CD1-CG2 3.65Å; F339-I368 HydrophobicContact CE1-CB 4.06Å; F339-I368 HydrophobicContact CE1-CD1 3.58Å; F339-I368 HydrophobicContact CE1-CG1 4.38Å; F339-I368 HydrophobicContact CE1-CG2 3.82Å; F339-I368 HydrophobicContact CE2-CD1 3.96Å; F339-I368 HydrophobicContact CG-CB 4.16Å; F339-I368 HydrophobicContact CG-CG2 4.36Å; F339-I368 HydrophobicContact CZ-CB 4.45Å; F339-I368 HydrophobicContact CZ-CD1 3.38Å; F339-I368 HydrophobicContact CZ-CG1 4.43Å; F339-F468 HydrophobicContact CE1-CZ 4.34Å; F339-F470 HydrophobicContact CZ-CD1 4.17Å; F339-I475 HydrophobicContact CE1-CD1 3.87Å; F339-I475 HydrophobicContact CZ-CD1 3.6Å; F339-L524 HydrophobicContact CD1-CD1 3.9Å; F339-L524 HydrophobicContact CE1-CD1 4.43Å; F339-L637 HydrophobicContact CB-CB 4.4Å; F339-L637 PolarHBondContact N-O 3.23Å; F339-L637 PolarHBondContact O-N 2.86Å; F339-I639 HydrophobicContact CB-CD1 3.92Å; F339-I639 HydrophobicContact CB-CG1 4.3Å; F339-I639 HydrophobicContact CD1-CD1 4Å; F339-I639 HydrophobicContact CD2-CB 3.78Å; F339-I639 HydrophobicContact CD2-CD1 3.65Å; F339-I639 HydrophobicContact CD2-CG1 3.69Å; F339-I639 HydrophobicContact CE1-CD1 4.38Å; F339-I639 HydrophobicContact CE2-CB 3.83Å; F339-I639 HydrophobicContact CE2-CD1 4.09Å; F339-I639 HydrophobicContact CE2-CG1 4.19Å; F339-I639 HydrophobicContact CE2-CG2 4.39Å; F339-I639 HydrophobicContact CG-CD1 3.6Å; F339-I639 HydrophobicContact CG-CG1 4.08Å; F339-I639 HydrophobicContact CZ-CD1 4.42Å; F339-I641 HydrophobicContact CE2-CD1 4.04Å; F339-I641 HydrophobicContact CE2-CG1 4.22Å; F339-I641 HydrophobicContact CZ-CD1 4.02Å
340F93.7Very high84.2Confident0 Ų038.6 Ų38.60%021%0.207CC..EExtended strand (participates in β ladder)trans-84.5118169.4-174.7-82.7000110.2W358 L359 T362 P366 I368 Y369 C370 L371 L636F340-W358 WeakPolarHBondContact CZ-O 3.32Å; F340-L359 HydrophobicContact CE1-CD2 4.01Å; F340-L359 HydrophobicContact CZ-CD2 4.4Å; F340-T362 HydrophobicContact CD2-CG2 4.34Å; F340-T362 HydrophobicContact CE2-CG2 4.45Å; F340-P366 HydrophobicContact CB-CB 3.98Å; F340-P366 HydrophobicContact CB-CG 3.81Å; F340-P366 HydrophobicContact CD2-CG 4.29Å; F340-P366 HydrophobicContact CG-CG 4.46Å; F340-I368 PolarHBondContact N-O 3.07Å; F340-Y369 HydrophobicContact CB-CD1 3.91Å; F340-Y369 HydrophobicContact CB-CD2 4.49Å; F340-Y369 HydrophobicContact CB-CE1 4.11Å; F340-Y369 HydrophobicContact CB-CG 4.14Å; F340-Y369 AromaticContact CD1-CD1 3.48Å; F340-Y369 HydrophobicContact CD1-CD1 3.48Å; F340-Y369 VanDerWaalsContact CD1-CD1 3.48Å; F340-Y369 AromaticContact CD1-CE1 3.72Å; F340-Y369 HydrophobicContact CD1-CE1 3.72Å; F340-Y369 HydrophobicContact CD1-CG 4.4Å; F340-Y369 HydrophobicContact CD2-CE1 4.26Å; F340-Y369 HydrophobicContact CE1-CD1 4.16Å; F340-Y369 HydrophobicContact CE1-CE1 4.16Å; F340-Y369 AromaticContact CG-CD1 3.81Å; F340-Y369 HydrophobicContact CG-CD1 3.81Å; F340-Y369 AromaticContact CG-CE1 3.78Å; F340-Y369 HydrophobicContact CG-CE1 3.78Å; F340-Y369 CarbonylContact O-C 3.49Å; F340-C370 PolarHBondContact O-N 2.87Å; F340-L371 HydrophobicContact CD1-CD2 3.83Å; F340-L371 HydrophobicContact CE1-CD2 3.66Å; F340-L636 HydrophobicContact CB-CD1 4.27Å
341L96.1Very high85.8Confident0 Ų035.6 Ų35.60%018%0.18CC..EExtended strand (participates in β ladder)trans-100.3133170-62.3-173.6000109C370 L524 I526 I607 S634 S635 L637L341-C370 HydrophobicContact CD2-CB 3.65Å; L341-L524 HydrophobicContact CD1-CB 4.06Å; L341-L524 HydrophobicContact CD1-CD1 4.41Å; L341-L524 HydrophobicContact CD1-CD2 4.4Å; L341-L524 HydrophobicContact CD1-CG 4.5Å; L341-L524 HydrophobicContact CD2-CB 4.13Å; L341-L524 HydrophobicContact CD2-CD1 3.82Å; L341-I526 HydrophobicContact CB-CG2 4.14Å; L341-I526 HydrophobicContact CD1-CG2 4.3Å; L341-I607 HydrophobicContact CB-CD1 4.11Å; L341-I607 HydrophobicContact CB-CG2 3.85Å; L341-I607 HydrophobicContact CD1-CG2 3.46Å; L341-I607 VanDerWaalsContact CD1-CG2 3.46Å; L341-I607 HydrophobicContact CG-CG2 4.3Å; L341-S634 CarbonylContact O-C 3.56Å; L341-S634 WeakPolarHBondContact O-CA 3.23Å; L341-S635 PolarHBondContact N-O 3.11Å; L341-S635 PolarHBondContact O-N 2.99Å; L341-L637 HydrophobicContact CD1-CD1 3.56Å; L341-L637 HydrophobicContact CD1-CG 4.26Å; L341-L637 HydrophobicContact CG-CD1 4.3Å
342G95.8Very high87Confident0 Ų040.4 Ų40.40%020%0.2CC..EExtended strand (participates in β ladder)trans-139.1140.7173.800000112.3C370 L371 G372 I526 V633G342-C370 PolarHBondContact N-O 2.88Å; G342-L371 WeakPolarHBondContact O-CA 3.27Å; G342-G372 PolarHBondContact O-N 2.74Å; G342-I526 WeakPolarHBondContact O-CD1 3.5Å; G342-V633 VanDerWaalsContact CA-O 3.27Å; G342-V633 WeakPolarHBondContact CA-O 2.98Å
343T97Very high87.9Confident0 Ų040.1 Ų40.10%020%0.201CC..EExtended strand (participates in β ladder)trans-129.9143.2171.4-176.60000112G372 Q374 G527 D605 I607 P632 V633T343-G372 CarbonylContact C-O 3.58Å; T343-G372 VanDerWaalsContact CA-O 3.27Å; T343-G372 WeakPolarHBondContact CA-O 3.48Å; T343-Q374 PolarHBondContact OG1-NE2 3.37Å; T343-Q374 PolarHBondContact OG1-OE1 3.22Å; T343-G527 WeakPolarHBondContact OG1-CA 3.4Å; T343-D605 HydrophobicContact CG2-CB 4.1Å; T343-I607 HydrophobicContact CG2-CG1 4.13Å; T343-P632 WeakPolarHBondContact O-CA 3.48Å; T343-V633 HydrophobicContact CG2-CB 4.03Å; T343-V633 PolarHBondContact N-O 3.09Å; T343-V633 PolarHBondContact O-N 3.37Å
344Y95.9Very high88.4Confident0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-155.1114.3176.6-169.2-164.3000113.4V346 W358 G372 F373 Q374 W396 V625 S628 P632Y344-V346 HydrophobicContact CD1-CG1 3.72Å; Y344-V346 HydrophobicContact CD2-CG1 4.44Å; Y344-V346 HydrophobicContact CE1-CG1 3.96Å; Y344-V346 HydrophobicContact CG-CG1 3.97Å; Y344-W358 HydrophobicContact CD1-CE3 4.49Å; Y344-W358 HydrophobicContact CD1-CH2 4.37Å; Y344-W358 HydrophobicContact CD1-CZ3 4Å; Y344-W358 HydrophobicContact CG-CH2 4.49Å; Y344-G372 PolarHBondContact N-O 2.86Å; Y344-F373 HydrophobicContact CD1-CD1 4.28Å; Y344-F373 HydrophobicContact CD1-CE1 4.26Å; Y344-F373 WeakPolarHBondContact O-CA 3.32Å; Y344-F373 WeakPolarHBondContact O-CB 3.27Å; Y344-Q374 PolarHBondContact O-N 3.15Å; Y344-Q374 VanDerWaalsContact O-N 3.15Å; Y344-Q374 PolarHBondContact O-OE1 3.38Å; Y344-W396 HydrophobicContact CD1-CH2 4.28Å; Y344-W396 HydrophobicContact CD1-CZ3 4.15Å; Y344-W396 AromaticContact CE1-CH2 3.79Å; Y344-W396 HydrophobicContact CE1-CH2 3.79Å; Y344-W396 HydrophobicContact CE1-CZ3 4.03Å; Y344-V625 HydrophobicContact CE1-CG1 3.81Å; Y344-V625 WeakPolarHBondContact OH-CG1 3.12Å; Y344-S628 WeakPolarHBondContact OH-CB 3.19Å; Y344-S628 PolarHBondContact OH-N 3.02Å; Y344-P632 HydrophobicContact CD1-CB 4Å; Y344-P632 HydrophobicContact CD1-CG 4.11Å; Y344-P632 HydrophobicContact CD2-CB 3.85Å; Y344-P632 HydrophobicContact CD2-CG 4.07Å; Y344-P632 HydrophobicContact CE1-CG 4.12Å; Y344-P632 HydrophobicContact CE2-CB 4.39Å; Y344-P632 HydrophobicContact CE2-CG 4.09Å; Y344-P632 HydrophobicContact CG-CB 3.66Å; Y344-P632 HydrophobicContact CG-CG 4.1Å
345N94.9Very high88.7Confident2 Ų233 Ų331%0.01118%0.18CC..EExtended strand (participates in β ladder)trans-77.5121.5166.6-178.1-25.6000109.5N347 Q374 E375 D528 S628 H630N345-N347 PolarHBondContact OD1-N 2.58Å; N345-N347 VanDerWaalsContact OD1-N 3.15Å; N345-Q374 WeakPolarHBondContact CA-O 3.42Å; N345-Q374 HydrophobicContact CB-CB 4.15Å; N345-E375 WeakPolarHBondContact OD1-CB 3.3Å; N345-D528 HydrophobicContact CB-CB 4.36Å; N345-D528 PolarHBondContact ND2-OD2 3.15Å; N345-S628 WeakPolarHBondContact O-CB 3.49Å; N345-S628 PolarHBondContact O-OG 3.15Å; N345-H630 HydrophobicContact CB-CB 4.09Å; N345-H630 PolarHBondContact ND2-NE2 3.29Å
346V92.3Very high89Confident0 Ų033 Ų330%018%0.177CC..  trans-104.20.9-172-55.80000114.6Y344 G348 Q349 F373 Q374 L376 W396Y344-V346 HydrophobicContact CD1-CG1 3.72Å; Y344-V346 HydrophobicContact CD2-CG1 4.44Å; Y344-V346 HydrophobicContact CE1-CG1 3.96Å; Y344-V346 HydrophobicContact CG-CG1 3.97Å; V346-G348 VanDerWaalsContact C-N 3.32Å; V346-G348 PolarHBondContact O-N 2.93Å; V346-Q349 VanDerWaalsContact O-CB 3.24Å; V346-Q349 WeakPolarHBondContact O-CB 3.41Å; V346-Q349 VanDerWaalsContact O-CG 3.28Å; V346-Q349 WeakPolarHBondContact O-CG 3.27Å; V346-Q349 PolarHBondContact O-N 2.9Å; V346-F373 HydrophobicContact CG1-CD1 3.84Å; V346-Q374 PolarHBondContact N-O 3.22Å; V346-L376 HydrophobicContact CG2-CG 4.34Å; V346-W396 HydrophobicContact CB-CH2 4.3Å; V346-W396 HydrophobicContact CB-CZ2 3.77Å; V346-W396 HydrophobicContact CG1-CD2 4.42Å; V346-W396 HydrophobicContact CG1-CE3 4.49Å; V346-W396 HydrophobicContact CG1-CH2 3.66Å; V346-W396 HydrophobicContact CG1-CZ2 3.57Å; V346-W396 HydrophobicContact CG1-CZ3 4.11Å; V346-W396 HydrophobicContact CG2-CZ2 4.31Å
347N90.8Very high89Confident35 Ų3532.1 Ų32.119%0.18717%0.17CC..THydrogen-bonded Turntrans46.448.5171.1-173.74.4000114.5N345 Q349 L378 D629N345-N347 PolarHBondContact OD1-N 2.58Å; N345-N347 VanDerWaalsContact OD1-N 3.15Å; N347-Q349 WeakPolarHBondContact O-CG 3.4Å; N347-Q349 PolarHBondContact O-N 3.23Å; N347-Q349 VanDerWaalsContact O-N 3.08Å; N347-Q349 PolarHBondContact O-NE2 3.1Å; N347-L378 WeakPolarHBondContact OD1-CD1 3.43Å; N347-D629 VanDerWaalsContact CB-OD1 3.29Å; N347-D629 WeakPolarHBondContact CB-OD1 3.23Å; N347-D629 PolarHBondContact ND2-OD1 2.87Å; N347-D629 PolarHBondContact ND2-OD2 3.42Å
348G85.9Confident89.3Confident25 Ų2531.9 Ų31.926%0.25817%0.168SC..THydrogen-bonded Turntrans64.410.8179.700000115.2V346 E375 L376V346-G348 VanDerWaalsContact C-N 3.32Å; V346-G348 PolarHBondContact O-N 2.93Å; G348-E375 WeakPolarHBondContact CA-O 3.44Å; G348-E375 PolarHBondContact N-O 3.43Å; G348-L376 WeakPolarHBondContact CA-O 3.2Å
349Q85.9Confident89.2Confident53 Ų5329.5 Ų29.525%0.24816%0.16CC..PPolyproline II helixtrans-85.8140.9-172.2-57.2-55.4-60.700112.3V346 N347 W396 T587 T627V346-Q349 VanDerWaalsContact O-CB 3.24Å; V346-Q349 WeakPolarHBondContact O-CB 3.41Å; V346-Q349 VanDerWaalsContact O-CG 3.28Å; V346-Q349 WeakPolarHBondContact O-CG 3.27Å; V346-Q349 PolarHBondContact O-N 2.9Å; N347-Q349 WeakPolarHBondContact O-CG 3.4Å; N347-Q349 PolarHBondContact O-N 3.23Å; N347-Q349 VanDerWaalsContact O-N 3.08Å; N347-Q349 PolarHBondContact O-NE2 3.1Å; Q349-W396 PolarHBondContact O-NE1 3.11Å; Q349-T587 HydrophobicContact CG-CG2 4.47Å; Q349-T627 HydrophobicContact CB-CG2 3.68Å; Q349-T627 HydrophobicContact CG-CG2 4.48Å; Q349-T627 WeakPolarHBondContact CG-O 3.42Å
350T82.8Confident88.9Confident79 Ų7932.1 Ų32.149%0.48518%0.178SC..PPolyproline II helixtrans-65.6142.1157.946.50000110.2K352 L392 T627T350-K352 PolarHBondContact O-N 2.86Å; T350-L392 HydrophobicContact CG2-CD1 4.06Å; T350-T627 VanDerWaalsContact O-CG2 3.27Å; T350-T627 WeakPolarHBondContact O-CG2 3.33Å
351P80.8Confident88.4Confident24 Ų2433.5 Ų33.516%0.15619%0.188CC..PPolyproline II helixtrans-66121.3173.823.2-27.4000110I395 W396 L399P351-I395 HydrophobicContact CG-CG2 3.63Å; P351-W396 HydrophobicContact CB-CD2 4.35Å; P351-W396 HydrophobicContact CB-CE3 4.33Å; P351-W396 HydrophobicContact CB-CH2 3.78Å; P351-W396 HydrophobicContact CB-CZ2 3.78Å; P351-W396 HydrophobicContact CB-CZ3 4.09Å; P351-W396 HydrophobicContact CG-CD2 4.2Å; P351-W396 HydrophobicContact CG-CZ2 4.19Å; P351-L399 HydrophobicContact CB-CD1 3.8Å; P351-L399 HydrophobicContact CG-CD1 3.32Å
352K81.1Confident87.8Confident123 Ų12334.5 Ų34.554%0.53519%0.194SC..  trans-105-10.1-176.3-65.2153.2-161.1164.90113T350 T627T350-K352 PolarHBondContact O-N 2.86Å; K352-T627 PolarHBondContact N-OG1 2.85Å
353E83.1Confident87.1Confident58 Ų5841 Ų4127%0.27124%0.236SC..SBendtrans-138.2172.2-176.477.2-139.4132.500110.9V625 R626 T627E353-V625 HydrophobicContact CG-CG1 4.33Å; E353-V625 WeakPolarHBondContact OE1-CG1 3.48Å; E353-R626 PolarHBondContact OE1-N 2.72Å; E353-R626 PolarHBondContact OE2-N 2.79Å; E353-T627 WeakPolarHBondContact OE1-CA 3.37Å; E353-T627 WeakPolarHBondContact OE1-CB 3.13Å; E353-T627 PolarHBondContact OE1-N 2.78Å; E353-T627 PolarHBondContact OE1-OG1 2.94Å
354S83.9Confident86.3Confident63 Ų6346.5 Ų46.544%0.44126%0.262SS..  trans-77.7140.2177.6-169.90000111.7R356 P357S354-R356 VanDerWaalsContact C-N 3.29Å; S354-R356 PolarHBondContact O-N 3.19Å; S354-R356 WeakPolarHBondContact OG-CG 3.45Å; S354-R356 PolarHBondContact OG-N 3.32Å; S354-P357 WeakPolarHBondContact O-CD 3.15Å
355L87.3Confident85.5Confident2 Ų249.2 Ų49.21%0.0128%0.279CS..SBendtrans-84-1175.6-51.8-177.8000113.3P357 W358 L359 W396 L399L355-P357 VanDerWaalsContact C-CD 3.42Å; L355-W358 HydrophobicContact CB-CE3 4.44Å; L355-W358 PolarHBondContact O-N 3.41Å; L355-L359 HydrophobicContact CB-CD1 3.83Å; L355-L359 HydrophobicContact CB-CG 4.16Å; L355-L359 HydrophobicContact CD1-CD1 4.3Å; L355-L359 PolarHBondContact O-N 3.46Å; L355-W396 HydrophobicContact CD1-CE3 3.8Å; L355-W396 HydrophobicContact CD1-CZ3 3.72Å; L355-W396 HydrophobicContact CD2-CH2 4.34Å; L355-W396 HydrophobicContact CD2-CZ3 3.65Å; L355-W396 HydrophobicContact CG-CZ3 4.29Å; L355-L399 HydrophobicContact CD1-CB 4.43Å
356R85.6Confident85Confident92 Ų9249.2 Ų49.235%0.34728%0.279SS..Hα-helixtrans-55.3-38.2178.8-67.1177.9-170.9-145.4-3.1114.5S354 W358 S360 D402 C403 H406S354-R356 VanDerWaalsContact C-N 3.29Å; S354-R356 PolarHBondContact O-N 3.19Å; S354-R356 WeakPolarHBondContact OG-CG 3.45Å; S354-R356 PolarHBondContact OG-N 3.32Å; R356-W358 PolarHBondContact O-N 3.14Å; R356-S360 WeakPolarHBondContact O-CA 3.3Å; R356-S360 VanDerWaalsContact O-CB 3.24Å; R356-S360 WeakPolarHBondContact O-CB 3.45Å; R356-S360 PolarHBondContact O-N 2.78Å; R356-D402 IonicContact NH2-OD2 3.75Å; R356-D402 PolarHBondContact NH2-OD2 3.3Å; R356-D402 VanDerWaalsContact NH2-OD2 3.09Å; R356-C403 HydrophobicContact CG-CB 4.01Å; R356-H406 PolarHBondContact NH1-CD2 2.89Å; R356-H406 PolarHBondContact NH2-CD2 2.81Å; R356-H406 VanDerWaalsContact NH2-CD2 3.34Å
357P89.4Confident84.5Confident60 Ų6050.2 Ų50.239%0.3929%0.285SS..Hα-helixtrans-57.2-30.7174.8-25.636.2000113.4S354 L355 C361 H622 D624S354-P357 WeakPolarHBondContact O-CD 3.15Å; L355-P357 VanDerWaalsContact C-CD 3.42Å; P357-C361 VanDerWaalsContact O-CB 3.3Å; P357-C361 WeakPolarHBondContact O-CB 3.27Å; P357-H622 PolarHBondContact O-ND1 3.14Å; P357-D624 HydrophobicContact CB-CB 4.34Å
358W91.3Very high84.2Confident0 Ų048.6 Ų48.60%028%0.276CS..Hα-helixtrans-89.1-54.317717340.1000112.5F340 Y344 L355 R356 C361 L371 F373 H622 V625 P632 V633F340-W358 WeakPolarHBondContact CZ-O 3.32Å; Y344-W358 HydrophobicContact CD1-CE3 4.49Å; Y344-W358 HydrophobicContact CD1-CH2 4.37Å; Y344-W358 HydrophobicContact CD1-CZ3 4Å; Y344-W358 HydrophobicContact CG-CH2 4.49Å; L355-W358 HydrophobicContact CB-CE3 4.44Å; L355-W358 PolarHBondContact O-N 3.41Å; R356-W358 PolarHBondContact O-N 3.14Å; W358-C361 WeakPolarHBondContact O-CB 3.03Å; W358-C361 PolarHBondContact O-SG 2.94Å; W358-L371 HydrophobicContact CZ2-CD2 4.41Å; W358-F373 HydrophobicContact CH2-CD1 4.28Å; W358-F373 AromaticContact CH2-CE1 3.66Å; W358-F373 HydrophobicContact CH2-CE1 3.66Å; W358-F373 HydrophobicContact CH2-CE2 4.33Å; W358-F373 AromaticContact CH2-CZ 3.69Å; W358-F373 HydrophobicContact CH2-CZ 3.69Å; W358-F373 HydrophobicContact CZ3-CD1 4.46Å; W358-F373 AromaticContact CZ3-CE1 3.52Å; W358-F373 HydrophobicContact CZ3-CE1 3.52Å; W358-F373 AromaticContact CZ3-CZ 3.65Å; W358-F373 HydrophobicContact CZ3-CZ 3.65Å; W358-H622 HydrophobicContact CB-CB 4.39Å; W358-H622 AromaticContact CD1-CD2 3.45Å; W358-H622 VanDerWaalsContact CD1-CD2 3.45Å; W358-H622 AromaticContact CD1-CG 3.97Å; W358-H622 AromaticContact CD1-NE2 3.53Å; W358-V625 HydrophobicContact CB-CG2 4.32Å; W358-P632 HydrophobicContact CD2-CB 3.69Å; W358-P632 HydrophobicContact CD2-CG 4.34Å; W358-P632 HydrophobicContact CE3-CB 4.14Å; W358-P632 HydrophobicContact CG-CB 3.95Å; W358-P632 HydrophobicContact CG-CG 4.35Å; W358-P632 HydrophobicContact CZ2-CB 4.14Å; W358-V633 PolarHBondContact NE1-O 2.62Å
359L86.9Confident84.1Confident3 Ų348.3 Ų48.32%0.01627%0.267CS..Hα-helixtrans-83.5-18.4-169.3-58.8-179000114.4F340 L355 Y369 L371 A400 C403F340-L359 HydrophobicContact CE1-CD2 4.01Å; F340-L359 HydrophobicContact CZ-CD2 4.4Å; L355-L359 HydrophobicContact CB-CD1 3.83Å; L355-L359 HydrophobicContact CB-CG 4.16Å; L355-L359 HydrophobicContact CD1-CD1 4.3Å; L355-L359 PolarHBondContact O-N 3.46Å; L359-Y369 WeakPolarHBondContact O-CE1 3.32Å; L359-Y369 PolarHBondContact O-OH 2.89Å; L359-L371 HydrophobicContact CD1-CD1 4.22Å; L359-L371 HydrophobicContact CD2-CD1 3.71Å; L359-L371 HydrophobicContact CD2-CD2 3.6Å; L359-L371 HydrophobicContact CD2-CG 4.33Å; L359-A400 HydrophobicContact CD1-CB 3.95Å; L359-C403 HydrophobicContact CB-CB 4.35Å; L359-C403 HydrophobicContact CD1-CB 4.21Å
360S85.8Confident84.3Confident56 Ų5645.8 Ų45.839%0.39226%0.255SS..THydrogen-bonded Turntrans-112.323.2178.8-43.60000111.7R356 T362R356-S360 WeakPolarHBondContact O-CA 3.3Å; R356-S360 VanDerWaalsContact O-CB 3.24Å; R356-S360 WeakPolarHBondContact O-CB 3.45Å; R356-S360 PolarHBondContact O-N 2.78Å; S360-T362 PolarHBondContact O-N 2.85Å; S360-T362 VanDerWaalsContact O-N 3.07Å
361C83.4Confident84.6Confident29 Ų2942.3 Ų42.320%0.19623%0.234CC..  trans-79.320.3-172.777.40000115.1P357 W358 K620P357-C361 VanDerWaalsContact O-CB 3.3Å; P357-C361 WeakPolarHBondContact O-CB 3.27Å; W358-C361 WeakPolarHBondContact O-CB 3.03Å; W358-C361 PolarHBondContact O-SG 2.94Å; C361-K620 PolarHBondContact O-NZ 3.11Å; C361-K620 WeakPolarHBondContact SG-CE 3.4Å; C361-K620 PolarHBondContact SG-NZ 2.82Å; C361-K620 VanDerWaalsContact SG-NZ 3.42Å
362T83.5Confident85.1Confident21 Ų2141.1 Ų41.113%0.12923%0.226CC..SBendtrans-128.8142.5-170.157.80000110.3F340 S360 E364 L636F340-T362 HydrophobicContact CD2-CG2 4.34Å; F340-T362 HydrophobicContact CE2-CG2 4.45Å; S360-T362 PolarHBondContact O-N 2.85Å; S360-T362 VanDerWaalsContact O-N 3.07Å; T362-E364 WeakPolarHBondContact CB-O 3.25Å; T362-E364 PolarHBondContact O-N 2.87Å; T362-E364 PolarHBondContact OG1-O 2.82Å; T362-L636 HydrophobicContact CG2-CD2 3.88Å
363P81.4Confident85.5Confident137 Ų13735.3 Ų35.389%0.8920%0.201SC*.SBendtrans-63.6-29.9-179-23.634.4000113.9
364E80.4Confident85.8Confident115 Ų11532.5 Ų32.554%0.53719%0.188SC..SBendtrans-123.1149.3174.7-62.8-177.7146.600109.7R338 T362 P366R338-E364 IonicContact NH1-OE2 2.64Å; R338-E364 PolarHBondContact NH1-OE2 3.27Å; T362-E364 WeakPolarHBondContact CB-O 3.25Å; T362-E364 PolarHBondContact O-N 2.87Å; T362-E364 PolarHBondContact OG1-O 2.82Å; E364-P366 WeakPolarHBondContact O-CD 3.45Å
365P79.5Confident86Confident57 Ų5730.9 Ų30.937%0.3717%0.173SC..  trans-71.3121.2173.225.8-31000111.2K428P365-K428 PolarHBondContact O-NZ 2.68Å
366P84.8Confident85.7Confident1 Ų130.9 Ų30.91%0.00617%0.174CC..  trans-52.8161.9173.5-25.633.7000114.3R338 F340 E364 Y369 K428 L636R338-P366 HydrophobicContact CB-CB 4.4Å; F340-P366 HydrophobicContact CB-CB 3.98Å; F340-P366 HydrophobicContact CB-CG 3.81Å; F340-P366 HydrophobicContact CD2-CG 4.29Å; F340-P366 HydrophobicContact CG-CG 4.46Å; E364-P366 WeakPolarHBondContact O-CD 3.45Å; P366-Y369 HydrophobicContact CB-CD2 4.24Å; P366-Y369 HydrophobicContact CB-CE2 3.85Å; P366-Y369 WeakPolarHBondContact CD-OH 3.38Å; P366-Y369 HydrophobicContact CG-CE2 3.87Å; P366-K428 WeakPolarHBondContact O-CD 3.35Å; P366-L636 HydrophobicContact CB-CD1 4.14Å; P366-L636 HydrophobicContact CG-CD1 3.92Å
367D80.9Confident85.2Confident22 Ų2228.1 Ų28.112%0.11817%0.166CC..SBendtrans-86.1-35.8-178.3-53.5-58.4000112.1R338 Y427 K428R338-D367 WeakPolarHBondContact CB-OD2 3.48Å; R338-D367 PolarHBondContact N-OD2 3.33Å; R338-D367 PolarHBondContact O-N 3Å; D367-Y427 VanDerWaalsContact O-CD2 3.23Å; D367-Y427 WeakPolarHBondContact O-CD2 3.49Å; D367-K428 WeakPolarHBondContact O-CB 3.31Å; D367-K428 PolarHBondContact O-N 3.42Å
368I83.8Confident84.6Confident1 Ų129.3 Ų29.31%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-129.3133.9175.4-71.1170.1000109.4R338 F339 F340 I425 A426 Y427 F441 F468 F470R338-I368 PolarHBondContact O-N 3.09Å; F339-I368 CarbonylContact C-O 3.52Å; F339-I368 WeakPolarHBondContact CA-O 3.37Å; F339-I368 HydrophobicContact CD1-CB 3.89Å; F339-I368 HydrophobicContact CD1-CD1 4.31Å; F339-I368 HydrophobicContact CD1-CG2 3.65Å; F339-I368 HydrophobicContact CE1-CB 4.06Å; F339-I368 HydrophobicContact CE1-CD1 3.58Å; F339-I368 HydrophobicContact CE1-CG1 4.38Å; F339-I368 HydrophobicContact CE1-CG2 3.82Å; F339-I368 HydrophobicContact CE2-CD1 3.96Å; F339-I368 HydrophobicContact CG-CB 4.16Å; F339-I368 HydrophobicContact CG-CG2 4.36Å; F339-I368 HydrophobicContact CZ-CB 4.45Å; F339-I368 HydrophobicContact CZ-CD1 3.38Å; F339-I368 HydrophobicContact CZ-CG1 4.43Å; F340-I368 PolarHBondContact N-O 3.07Å; I368-I425 HydrophobicContact CG2-CG2 4.36Å; I368-A426 WeakPolarHBondContact CA-O 3.23Å; I368-Y427 HydrophobicContact CD1-CD2 4.27Å; I368-Y427 HydrophobicContact CG1-CD2 3.68Å; I368-Y427 HydrophobicContact CG1-CE2 4.47Å; I368-F441 HydrophobicContact CD1-CZ 4.45Å; I368-F468 HydrophobicContact CD1-CE2 4.47Å; I368-F470 HydrophobicContact CD1-CD1 3.75Å; I368-F470 HydrophobicContact CD1-CE1 3.72Å; I368-F470 HydrophobicContact CD1-CG 4.34Å; I368-F470 HydrophobicContact CD1-CZ 4.28Å
369Y85.2Confident83.7Confident18 Ų1831.2 Ų31.27%0.07118%0.181CC..EExtended strand (participates in β ladder)trans-108.4138.6167.7-81.8-108000109.7F340 L359 P366 L371 Y404 I425 A426F340-Y369 HydrophobicContact CB-CD1 3.91Å; F340-Y369 HydrophobicContact CB-CD2 4.49Å; F340-Y369 HydrophobicContact CB-CE1 4.11Å; F340-Y369 HydrophobicContact CB-CG 4.14Å; F340-Y369 AromaticContact CD1-CD1 3.48Å; F340-Y369 HydrophobicContact CD1-CD1 3.48Å; F340-Y369 VanDerWaalsContact CD1-CD1 3.48Å; F340-Y369 AromaticContact CD1-CE1 3.72Å; F340-Y369 HydrophobicContact CD1-CE1 3.72Å; F340-Y369 HydrophobicContact CD1-CG 4.4Å; F340-Y369 HydrophobicContact CD2-CE1 4.26Å; F340-Y369 HydrophobicContact CE1-CD1 4.16Å; F340-Y369 HydrophobicContact CE1-CE1 4.16Å; F340-Y369 AromaticContact CG-CD1 3.81Å; F340-Y369 HydrophobicContact CG-CD1 3.81Å; F340-Y369 AromaticContact CG-CE1 3.78Å; F340-Y369 HydrophobicContact CG-CE1 3.78Å; F340-Y369 CarbonylContact O-C 3.49Å; L359-Y369 WeakPolarHBondContact O-CE1 3.32Å; L359-Y369 PolarHBondContact O-OH 2.89Å; P366-Y369 HydrophobicContact CB-CD2 4.24Å; P366-Y369 HydrophobicContact CB-CE2 3.85Å; P366-Y369 WeakPolarHBondContact CD-OH 3.38Å; P366-Y369 HydrophobicContact CG-CE2 3.87Å; Y369-L371 HydrophobicContact CD1-CD2 4.32Å; Y369-Y404 HydrophobicContact CD2-CD2 4.32Å; Y369-Y404 AromaticContact CD2-CE2 3.96Å; Y369-Y404 HydrophobicContact CD2-CE2 3.96Å; Y369-Y404 AromaticContact CE2-CD2 3.77Å; Y369-Y404 HydrophobicContact CE2-CD2 3.77Å; Y369-Y404 AromaticContact CE2-CE2 3.51Å; Y369-Y404 HydrophobicContact CE2-CE2 3.51Å; Y369-I425 WeakPolarHBondContact O-CA 3.39Å; Y369-A426 PolarHBondContact N-O 2.92Å; Y369-A426 PolarHBondContact O-N 3.21Å
370C88.9Confident82.8Confident0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans-133.4105.9172.2-62.40000108.7F340 L341 G342 I424 I425 V477F340-C370 PolarHBondContact O-N 2.87Å; L341-C370 HydrophobicContact CD2-CB 3.65Å; G342-C370 PolarHBondContact N-O 2.88Å; C370-I424 CarbonylContact C-O 3.57Å; C370-I424 WeakPolarHBondContact CA-O 3.36Å; C370-I425 HydrophobicContact CB-CG1 4.41Å; C370-V477 HydrophobicContact CB-CG1 4.04Å
371L90.4Very high81.9Confident6 Ų641.4 Ų41.43%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-115.9119.3-172.4-55.3177000110.1F340 G342 W358 L359 Y369 F373 A400 I424F340-L371 HydrophobicContact CD1-CD2 3.83Å; F340-L371 HydrophobicContact CE1-CD2 3.66Å; G342-L371 WeakPolarHBondContact O-CA 3.27Å; W358-L371 HydrophobicContact CZ2-CD2 4.41Å; L359-L371 HydrophobicContact CD1-CD1 4.22Å; L359-L371 HydrophobicContact CD2-CD1 3.71Å; L359-L371 HydrophobicContact CD2-CD2 3.6Å; L359-L371 HydrophobicContact CD2-CG 4.33Å; Y369-L371 HydrophobicContact CD1-CD2 4.32Å; L371-F373 HydrophobicContact CB-CE2 3.9Å; L371-A400 HydrophobicContact CD1-CB 4.03Å; L371-I424 HydrophobicContact CB-CB 4.34Å; L371-I424 PolarHBondContact N-O 2.81Å; L371-I424 PolarHBondContact O-N 3.21Å
372G90.6Very high80.9Confident0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-105.7135.1173.800000111G342 T343 Y344 I422 N479G342-G372 PolarHBondContact O-N 2.74Å; T343-G372 CarbonylContact C-O 3.58Å; T343-G372 VanDerWaalsContact CA-O 3.27Å; T343-G372 WeakPolarHBondContact CA-O 3.48Å; Y344-G372 PolarHBondContact N-O 2.86Å; G372-I422 WeakPolarHBondContact CA-O 3.39Å; G372-N479 WeakPolarHBondContact CA-ND2 3.3Å
373F89.8Confident79.9Confident0 Ų043.9 Ų43.90%023%0.23CC..EExtended strand (participates in β ladder)trans-126.3153.7169.8-50.7-117.4000110.4Y344 V346 W358 L371 L376 W396 T421 I422 I424 N479Y344-F373 HydrophobicContact CD1-CD1 4.28Å; Y344-F373 HydrophobicContact CD1-CE1 4.26Å; Y344-F373 WeakPolarHBondContact O-CA 3.32Å; Y344-F373 WeakPolarHBondContact O-CB 3.27Å; V346-F373 HydrophobicContact CG1-CD1 3.84Å; W358-F373 HydrophobicContact CH2-CD1 4.28Å; W358-F373 AromaticContact CH2-CE1 3.66Å; W358-F373 HydrophobicContact CH2-CE1 3.66Å; W358-F373 HydrophobicContact CH2-CE2 4.33Å; W358-F373 AromaticContact CH2-CZ 3.69Å; W358-F373 HydrophobicContact CH2-CZ 3.69Å; W358-F373 HydrophobicContact CZ3-CD1 4.46Å; W358-F373 AromaticContact CZ3-CE1 3.52Å; W358-F373 HydrophobicContact CZ3-CE1 3.52Å; W358-F373 AromaticContact CZ3-CZ 3.65Å; W358-F373 HydrophobicContact CZ3-CZ 3.65Å; L371-F373 HydrophobicContact CB-CE2 3.9Å; F373-L376 HydrophobicContact CB-CD1 3.89Å; F373-L376 HydrophobicContact CB-CG 4.46Å; F373-W396 HydrophobicContact CD1-CD2 4.48Å; F373-W396 HydrophobicContact CD1-CE3 4.02Å; F373-W396 HydrophobicContact CD1-CZ3 4.36Å; F373-W396 HydrophobicContact CE1-CD2 4.28Å; F373-W396 AromaticContact CE1-CE3 3.46Å; F373-W396 HydrophobicContact CE1-CE3 3.46Å; F373-W396 VanDerWaalsContact CE1-CE3 3.46Å; F373-W396 AromaticContact CE1-CZ3 3.82Å; F373-W396 HydrophobicContact CE1-CZ3 3.82Å; F373-W396 HydrophobicContact CZ-CE3 4.24Å; F373-T421 WeakPolarHBondContact O-CA 3.43Å; F373-I422 HydrophobicContact CB-CG2 3.6Å; F373-I422 HydrophobicContact CD2-CG2 3.51Å; F373-I422 HydrophobicContact CG-CG2 3.95Å; F373-I422 PolarHBondContact N-O 3.08Å; F373-I422 VanDerWaalsContact N-O 3.15Å; F373-I422 PolarHBondContact O-N 3.35Å; F373-I422 VanDerWaalsContact O-N 3.1Å; F373-I424 HydrophobicContact CE2-CD1 4.21Å; F373-N479 PolarHBondContact N-ND2 3.05Å; F373-N479 PolarHBondContact O-ND2 2.89Å; F373-N479 VanDerWaalsContact O-ND2 3.09Å
374Q90.1Very high78.7Confident0 Ų044.4 Ų44.40%022%0.219CC..EExtended strand (participates in β ladder)trans-132.3158.1-178-50.177.928.600110.6T343 Y344 N345 V346 L376 L420 N479 H481 D528T343-Q374 PolarHBondContact OG1-NE2 3.37Å; T343-Q374 PolarHBondContact OG1-OE1 3.22Å; Y344-Q374 PolarHBondContact O-N 3.15Å; Y344-Q374 VanDerWaalsContact O-N 3.15Å; Y344-Q374 PolarHBondContact O-OE1 3.38Å; N345-Q374 WeakPolarHBondContact CA-O 3.42Å; N345-Q374 HydrophobicContact CB-CB 4.15Å; V346-Q374 PolarHBondContact N-O 3.22Å; Q374-L376 VanDerWaalsContact C-N 3.29Å; Q374-L376 PolarHBondContact O-N 2.81Å; Q374-L420 CarbonylContact C-O 3.58Å; Q374-N479 PolarHBondContact NE2-ND2 2.69Å; Q374-N479 PolarHBondContact NE2-OD1 2.84Å; Q374-H481 HydrophobicContact CB-CB 4.28Å; Q374-H481 HydrophobicContact CG-CB 3.93Å; Q374-D528 HydrophobicContact CB-CB 4.5Å; Q374-D528 HydrophobicContact CG-CB 4.13Å
375E86.9Confident77.4Confident28 Ų2845.5 Ų45.513%0.13122%0.222CC..  trans49.542.6-174.8-54.1-15616600113.7N345 G348 D377 L378 L420 N460 K461 H481N345-E375 WeakPolarHBondContact OD1-CB 3.3Å; G348-E375 WeakPolarHBondContact CA-O 3.44Å; G348-E375 PolarHBondContact N-O 3.43Å; E375-D377 PolarHBondContact O-N 2.84Å; E375-L378 HydrophobicContact CB-CD2 4.15Å; E375-L378 HydrophobicContact CB-CG 4.41Å; E375-L378 HydrophobicContact CG-CD2 4.43Å; E375-L420 HydrophobicContact CG-CD1 4.35Å; E375-L420 PolarHBondContact N-O 3.35Å; E375-N460 PolarHBondContact OE1-ND2 2.93Å; E375-K461 IonicContact OE1-NZ 2.81Å; E375-K461 PolarHBondContact OE1-NZ 2.77Å; E375-H481 WeakPolarHBondContact CG-CE1 3.27Å; E375-H481 IonicContact OE1-CE1 3.85Å; E375-H481 PolarHBondContact OE1-CE1 2.92Å; E375-H481 IonicContact OE1-NE2 2.86Å; E375-H481 PolarHBondContact OE1-NE2 2.76Å
376L80.6Confident76Confident3 Ų347.3 Ų47.32%0.01624%0.236CC..  trans-55.6-48-177.6-83.690.2000113.9V346 G348 F373 Q374 L392 L420 I422V346-L376 HydrophobicContact CG2-CG 4.34Å; G348-L376 WeakPolarHBondContact CA-O 3.2Å; F373-L376 HydrophobicContact CB-CD1 3.89Å; F373-L376 HydrophobicContact CB-CG 4.46Å; Q374-L376 VanDerWaalsContact C-N 3.29Å; Q374-L376 PolarHBondContact O-N 2.81Å; L376-L392 WeakPolarHBondContact O-CD2 3.12Å; L376-L420 WeakPolarHBondContact CD1-O 3.37Å; L376-L420 PolarHBondContact N-O 2.84Å; L376-L420 VanDerWaalsContact N-O 3.09Å; L376-I422 HydrophobicContact CD1-CB 4.04Å; L376-I422 HydrophobicContact CD1-CG2 3.79Å; L376-I422 HydrophobicContact CD2-CB 4.28Å; L376-I422 HydrophobicContact CD2-CG2 4.14Å
377D76.1Confident74.1Confident34 Ų3454.5 Ų54.518%0.18227%0.274CS..  trans-140.591.6-169-171-26.4000110.6E375 S379 A382 S390 L420E375-D377 PolarHBondContact O-N 2.84Å; D377-S379 PolarHBondContact O-N 2.86Å; D377-S379 WeakPolarHBondContact OD1-CB 3.46Å; D377-S379 PolarHBondContact OD1-N 2.98Å; D377-S379 VanDerWaalsContact OD1-N 3.16Å; D377-S379 PolarHBondContact OD1-OG 2.87Å; D377-A382 HydrophobicContact CB-CB 3.91Å; D377-S390 VanDerWaalsContact OD2-CB 3.25Å; D377-S390 WeakPolarHBondContact OD2-CB 3.21Å; D377-S390 PolarHBondContact OD2-OG 2.93Å; D377-L420 WeakPolarHBondContact O-CD2 3.33Å
378L76.3Confident72.6Confident84 Ų8458.5 Ų58.544%0.4430%0.3SS..  trans-74.515.5-176.9-68.9170.9000114.1N347 E375 L420N347-L378 WeakPolarHBondContact OD1-CD1 3.43Å; E375-L378 HydrophobicContact CB-CD2 4.15Å; E375-L378 HydrophobicContact CB-CG 4.41Å; E375-L378 HydrophobicContact CG-CD2 4.43Å; L378-L420 HydrophobicContact CD2-CD1 3.79Å
379S72.4Confident71.3Confident40 Ų4063.6 Ų63.628%0.2833%0.326SS..SBendtrans-67.8160.3173.367.60000112.4D377 E381 A382D377-S379 PolarHBondContact O-N 2.86Å; D377-S379 WeakPolarHBondContact OD1-CB 3.46Å; D377-S379 PolarHBondContact OD1-N 2.98Å; D377-S379 VanDerWaalsContact OD1-N 3.16Å; D377-S379 PolarHBondContact OD1-OG 2.87Å; S379-E381 VanDerWaalsContact C-N 3.26Å; S379-E381 WeakPolarHBondContact CB-OE2 3.49Å; S379-A382 WeakPolarHBondContact OG-CB 3.4Å; S379-A382 PolarHBondContact OG-N 3.03Å; S379-A382 VanDerWaalsContact OG-N 3.13Å
380K68Low70.2Confident155 Ų15563.8 Ų63.867%0.67433%0.329SS*.Hα-helixtrans-74.4-28.3173.5-65.9176.7-177.8174.30110.4F383 F384K380-F383 WeakPolarHBondContact O-CB 3.38Å; K380-F383 PolarHBondContact O-N 3.18Å; K380-F384 WeakPolarHBondContact O-CD2 3.16Å; K380-F384 PolarHBondContact O-N 2.79Å; K380-F384 VanDerWaalsContact O-N 3.14Å
381E66.3Low68.9Low118 Ų11870 Ų7055%0.55136%0.362SS*.Hα-helixtrans-65.6-48.2-178-66.461.7-143.300110S379 F383 F384 F385S379-E381 VanDerWaalsContact C-N 3.26Å; S379-E381 WeakPolarHBondContact CB-OE2 3.49Å; E381-F383 PolarHBondContact O-N 3.03Å; E381-F384 PolarHBondContact O-N 3.29Å; E381-F385 WeakPolarHBondContact O-CD2 3.45Å; E381-F385 PolarHBondContact O-N 3.44Å
382A63.2Low67.7Low20 Ų2070.6 Ų70.617%0.16537%0.365CS..Hα-helixtrans-64.3-22.5173.200000113.9D377 S379D377-A382 HydrophobicContact CB-CB 3.91Å; S379-A382 WeakPolarHBondContact OG-CB 3.4Å; S379-A382 PolarHBondContact OG-N 3.03Å; S379-A382 VanDerWaalsContact OG-N 3.13Å
383F61.7Low66.5Low83 Ų8370.6 Ų70.636%0.36437%0.365SS..Hα-helixtrans-79.3-30175.5-171.5-85.1000113.1K380 E381K380-F383 WeakPolarHBondContact O-CB 3.38Å; K380-F383 PolarHBondContact O-N 3.18Å; E381-F383 PolarHBondContact O-N 3.03Å
384F57.3Low65.3Low148 Ų14874.5 Ų74.565%0.64939%0.386SS*.Hα-helixtrans-105-20.5-175.6-71.8-63.4000115.2K380 E381K380-F384 WeakPolarHBondContact O-CD2 3.16Å; K380-F384 PolarHBondContact O-N 2.79Å; K380-F384 VanDerWaalsContact O-N 3.14Å; E381-F384 PolarHBondContact O-N 3.29Å
385F53.2Low64.2Low138 Ų13878 Ų7861%0.60540%0.404SS*.  trans-118.883.4-176.6-61.8-75.4000112.1E381 D387E381-F385 WeakPolarHBondContact O-CD2 3.45Å; E381-F385 PolarHBondContact O-N 3.44Å; F385-D387 PolarHBondContact O-N 2.86Å; F385-D387 VanDerWaalsContact O-N 3.14Å
386S48.9Very low63.5Low95 Ų9576.7 Ų76.766%0.66440%0.398SS*.THydrogen-bonded Turntrans-58.9-24.3-179.647.80000115.4
387D45.7Very low62.9Low151 Ų15176.9 Ų76.981%0.80740%0.399SS*.THydrogen-bonded Turntrans-92.6-3.5-164.2-57.1-0.4000112.4F385F385-D387 PolarHBondContact O-N 2.86Å; F385-D387 VanDerWaalsContact O-N 3.14Å
388T49.6Very low62.4Low107 Ų10778 Ų7866%0.65641%0.413SS*.SBendtrans-103.4108.1172.7-54.30000109.1S390T388-S390 PolarHBondContact O-N 3.49Å
389I56.9Low62Low108 Ų10877 Ų7755%0.55441%0.408SS*.  trans-60.2119.8168.3-50.8178.3000107.2S393 L394 V417I389-S393 WeakPolarHBondContact CG2-OG 3.47Å; I389-L394 HydrophobicContact CB-CD1 4.09Å; I389-L394 HydrophobicContact CG2-CD1 3.48Å; I389-L394 VanDerWaalsContact CG2-CD1 3.48Å; I389-V417 HydrophobicContact CG2-CG2 4.4Å
390S61.3Low61.8Low21 Ų2175.5 Ų75.515%0.14740%0.398CS..  trans-69.1143.4-173.880.60000111D377 T388 L392 S393 L394D377-S390 VanDerWaalsContact OD2-CB 3.25Å; D377-S390 WeakPolarHBondContact OD2-CB 3.21Å; D377-S390 PolarHBondContact OD2-OG 2.93Å; T388-S390 PolarHBondContact O-N 3.49Å; S390-L392 PolarHBondContact O-N 2.64Å; S390-S393 PolarHBondContact O-N 2.98Å; S390-S393 PolarHBondContact OG-N 2.93Å; S390-L394 VanDerWaalsContact O-CD1 3.29Å; S390-L394 WeakPolarHBondContact O-CD1 3.28Å; S390-L394 PolarHBondContact O-N 3.04Å
391L61.3Low61.8Low132 Ų13269.7 Ų69.769%0.69137%0.374SS*.Hα-helixtrans-50.3-31.2174.3-87160.2000112.1L394 I395L391-L394 PolarHBondContact O-N 3.35Å; L391-I395 WeakPolarHBondContact O-CD1 3.32Å; L391-I395 VanDerWaalsContact O-CG1 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.33Å; L391-I395 PolarHBondContact O-N 3.48Å; L391-I395 VanDerWaalsContact O-N 3.11Å
392L66.3Low61.9Low18 Ų1868.2 Ų68.29%0.09437%0.369CS..Hα-helixtrans-70.1-37.4179.2-167.741.9000112.3T350 L376 S390 I395 W396T350-L392 HydrophobicContact CG2-CD1 4.06Å; L376-L392 WeakPolarHBondContact O-CD2 3.12Å; S390-L392 PolarHBondContact O-N 2.64Å; L392-I395 PolarHBondContact O-N 3.25Å; L392-W396 PolarHBondContact O-N 3.34Å
393S64.1Low61.9Low0 Ų067.9 Ų67.90%037%0.366CS..Hα-helixtrans-65.6-42173.1102.90000111.6I389 S390 I395 W396 S397 E415I389-S393 WeakPolarHBondContact CG2-OG 3.47Å; S390-S393 PolarHBondContact O-N 2.98Å; S390-S393 PolarHBondContact OG-N 2.93Å; S393-I395 VanDerWaalsContact C-N 3.29Å; S393-I395 PolarHBondContact O-N 3Å; S393-W396 PolarHBondContact O-N 3.5Å; S393-S397 WeakPolarHBondContact O-CB 3.16Å; S393-S397 PolarHBondContact O-N 2.93Å; S393-S397 PolarHBondContact O-OG 3.38Å; S393-E415 PolarHBondContact OG-OE1 2.66Å
394L65.8Low62Low82 Ų8265 Ų6543%0.42935%0.353SS..Hα-helixtrans-59.1-41175.6-79.581.3000111.6I389 S390 L391 A398I389-L394 HydrophobicContact CB-CD1 4.09Å; I389-L394 HydrophobicContact CG2-CD1 3.48Å; I389-L394 VanDerWaalsContact CG2-CD1 3.48Å; S390-L394 VanDerWaalsContact O-CD1 3.29Å; S390-L394 WeakPolarHBondContact O-CD1 3.28Å; S390-L394 PolarHBondContact O-N 3.04Å; L391-L394 PolarHBondContact O-N 3.35Å; L394-A398 WeakPolarHBondContact O-CB 3.39Å; L394-A398 PolarHBondContact O-N 3Å
395I67.2Low61.9Low74 Ų7463.1 Ų63.138%0.37934%0.344SS..Hα-helixtrans-66.4-46.1178.1-69.2163000111.1P351 L391 L392 S393 A398 L399P351-I395 HydrophobicContact CG-CG2 3.63Å; L391-I395 WeakPolarHBondContact O-CD1 3.32Å; L391-I395 VanDerWaalsContact O-CG1 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.33Å; L391-I395 PolarHBondContact O-N 3.48Å; L391-I395 VanDerWaalsContact O-N 3.11Å; L392-I395 PolarHBondContact O-N 3.25Å; S393-I395 VanDerWaalsContact C-N 3.29Å; S393-I395 PolarHBondContact O-N 3Å; I395-A398 PolarHBondContact O-N 2.8Å; I395-L399 HydrophobicContact CG2-CD1 3.86Å; I395-L399 WeakPolarHBondContact O-CB 3.27Å; I395-L399 WeakPolarHBondContact O-CG 3.44Å; I395-L399 PolarHBondContact O-N 3.19Å
396W71.8Confident61.9Low0 Ų064.6 Ų64.60%035%0.353CS..Hα-helixtrans-64.2-43.6177.2-80.4108.4000112Y344 V346 Q349 P351 L355 F373 L392 S393 L399 A400 T627Y344-W396 HydrophobicContact CD1-CH2 4.28Å; Y344-W396 HydrophobicContact CD1-CZ3 4.15Å; Y344-W396 AromaticContact CE1-CH2 3.79Å; Y344-W396 HydrophobicContact CE1-CH2 3.79Å; Y344-W396 HydrophobicContact CE1-CZ3 4.03Å; V346-W396 HydrophobicContact CB-CH2 4.3Å; V346-W396 HydrophobicContact CB-CZ2 3.77Å; V346-W396 HydrophobicContact CG1-CD2 4.42Å; V346-W396 HydrophobicContact CG1-CE3 4.49Å; V346-W396 HydrophobicContact CG1-CH2 3.66Å; V346-W396 HydrophobicContact CG1-CZ2 3.57Å; V346-W396 HydrophobicContact CG1-CZ3 4.11Å; V346-W396 HydrophobicContact CG2-CZ2 4.31Å; Q349-W396 PolarHBondContact O-NE1 3.11Å; P351-W396 HydrophobicContact CB-CD2 4.35Å; P351-W396 HydrophobicContact CB-CE3 4.33Å; P351-W396 HydrophobicContact CB-CH2 3.78Å; P351-W396 HydrophobicContact CB-CZ2 3.78Å; P351-W396 HydrophobicContact CB-CZ3 4.09Å; P351-W396 HydrophobicContact CG-CD2 4.2Å; P351-W396 HydrophobicContact CG-CZ2 4.19Å; L355-W396 HydrophobicContact CD1-CE3 3.8Å; L355-W396 HydrophobicContact CD1-CZ3 3.72Å; L355-W396 HydrophobicContact CD2-CH2 4.34Å; L355-W396 HydrophobicContact CD2-CZ3 3.65Å; L355-W396 HydrophobicContact CG-CZ3 4.29Å; F373-W396 HydrophobicContact CD1-CD2 4.48Å; F373-W396 HydrophobicContact CD1-CE3 4.02Å; F373-W396 HydrophobicContact CD1-CZ3 4.36Å; F373-W396 HydrophobicContact CE1-CD2 4.28Å; F373-W396 AromaticContact CE1-CE3 3.46Å; F373-W396 HydrophobicContact CE1-CE3 3.46Å; F373-W396 VanDerWaalsContact CE1-CE3 3.46Å; F373-W396 AromaticContact CE1-CZ3 3.82Å; F373-W396 HydrophobicContact CE1-CZ3 3.82Å; F373-W396 HydrophobicContact CZ-CE3 4.24Å; L392-W396 PolarHBondContact O-N 3.34Å; S393-W396 PolarHBondContact O-N 3.5Å; W396-L399 PolarHBondContact O-N 3.01Å; W396-A400 WeakPolarHBondContact O-CB 3.2Å; W396-A400 PolarHBondContact O-N 3.35Å; W396-T627 HydrophobicContact CH2-CG2 4.34Å; W396-T627 HydrophobicContact CZ2-CG2 4.29Å
397S68.2Low61.9Low6 Ų662.4 Ų62.44%0.04234%0.338CS..Hα-helixtrans-60.9-45.7173.5-73.30000112.5S393 A400 L401 E415 I424S393-S397 WeakPolarHBondContact O-CB 3.16Å; S393-S397 PolarHBondContact O-N 2.93Å; S393-S397 PolarHBondContact O-OG 3.38Å; S397-A400 PolarHBondContact O-N 2.72Å; S397-L401 WeakPolarHBondContact O-CB 3.24Å; S397-L401 WeakPolarHBondContact O-CG 3.29Å; S397-L401 PolarHBondContact O-N 3.46Å; S397-L401 VanDerWaalsContact O-N 3.08Å; S397-E415 WeakPolarHBondContact CB-OE2 3.13Å; S397-E415 PolarHBondContact OG-OE2 3.17Å; S397-I424 WeakPolarHBondContact OG-CD1 3.33Å
398A65.6Low61.9Low57 Ų5761.6 Ų61.647%0.47134%0.344SS..Hα-helixtrans-65-40.4179.800000112.7L394 I395 L401 D402L394-A398 WeakPolarHBondContact O-CB 3.39Å; L394-A398 PolarHBondContact O-N 3Å; I395-A398 PolarHBondContact O-N 2.8Å; A398-L401 PolarHBondContact O-N 2.72Å; A398-D402 PolarHBondContact O-N 3.14Å
399L68.1Low61.6Low65 Ų6558.2 Ų58.234%0.3432%0.322SS..Hα-helixtrans-72.9-35.6178.3-74.1167.2000112.8P351 L355 I395 W396 L401 D402 C403P351-L399 HydrophobicContact CB-CD1 3.8Å; P351-L399 HydrophobicContact CG-CD1 3.32Å; L355-L399 HydrophobicContact CD1-CB 4.43Å; I395-L399 HydrophobicContact CG2-CD1 3.86Å; I395-L399 WeakPolarHBondContact O-CB 3.27Å; I395-L399 WeakPolarHBondContact O-CG 3.44Å; I395-L399 PolarHBondContact O-N 3.19Å; W396-L399 PolarHBondContact O-N 3.01Å; L399-L401 VanDerWaalsContact C-N 3.25Å; L399-L401 PolarHBondContact O-N 3.47Å; L399-D402 PolarHBondContact O-N 2.88Å; L399-C403 PolarHBondContact O-N 2.78Å; L399-C403 PolarHBondContact O-SG 3.07Å
400A67.4Low61.2Low8 Ų858.7 Ų58.77%0.06632%0.319CS..Hα-helixtrans-61.8-36.9171.400000111.6L359 L371 W396 S397L359-A400 HydrophobicContact CD1-CB 3.95Å; L371-A400 HydrophobicContact CD1-CB 4.03Å; W396-A400 WeakPolarHBondContact O-CB 3.2Å; W396-A400 PolarHBondContact O-N 3.35Å; S397-A400 PolarHBondContact O-N 2.72Å
401L67.6Low60.6Low33 Ų3359.5 Ų59.517%0.17332%0.323CS..Hα-helixtrans-73.3-41.6175.2-75.6170.8000113.7S397 A398 L399 C403 Y404 F405 F413S397-L401 WeakPolarHBondContact O-CB 3.24Å; S397-L401 WeakPolarHBondContact O-CG 3.29Å; S397-L401 PolarHBondContact O-N 3.46Å; S397-L401 VanDerWaalsContact O-N 3.08Å; A398-L401 PolarHBondContact O-N 2.72Å; L399-L401 VanDerWaalsContact C-N 3.25Å; L399-L401 PolarHBondContact O-N 3.47Å; L401-C403 VanDerWaalsContact C-N 3.28Å; L401-C403 PolarHBondContact O-N 2.96Å; L401-Y404 WeakPolarHBondContact O-CA 3.47Å; L401-Y404 WeakPolarHBondContact O-CB 3.42Å; L401-Y404 PolarHBondContact O-N 2.8Å; L401-F405 HydrophobicContact CB-CD2 4.1Å; L401-F405 HydrophobicContact CB-CE2 3.85Å; L401-F405 HydrophobicContact CD2-CE2 4.1Å; L401-F405 HydrophobicContact CD2-CZ 4.46Å; L401-F405 HydrophobicContact CG-CE2 4.41Å; L401-F405 VanDerWaalsContact O-CD2 3.24Å; L401-F405 WeakPolarHBondContact O-CD2 3.32Å; L401-F405 PolarHBondContact O-N 2.76Å; L401-F413 HydrophobicContact CD1-CD2 3.93Å; L401-F413 HydrophobicContact CD1-CE2 3.79Å; L401-F413 HydrophobicContact CD1-CZ 4.35Å; L401-F413 HydrophobicContact CD2-CD2 3.92Å; L401-F413 HydrophobicContact CD2-CE2 4.29Å; L401-F413 HydrophobicContact CG-CD2 4.22Å; L401-F413 HydrophobicContact CG-CE2 4.11Å
402D68.8Low60.2Low86 Ų8657.3 Ų57.346%0.4631%0.312SS..Hα-helixtrans-60.5-38177-18082.8000112.3R356 A398 L399 Y404 F405R356-D402 IonicContact NH2-OD2 3.75Å; R356-D402 PolarHBondContact NH2-OD2 3.3Å; R356-D402 VanDerWaalsContact NH2-OD2 3.09Å; A398-D402 PolarHBondContact O-N 3.14Å; L399-D402 PolarHBondContact O-N 2.88Å; D402-Y404 PolarHBondContact O-N 2.96Å; D402-F405 PolarHBondContact O-N 3.02Å
403C64.4Low59.6Low13 Ų1359.9 Ų59.99%0.08832%0.323CS..THydrogen-bonded Turntrans-61.5-14.1174.4-64.40000113.6R356 L359 L399 L401R356-C403 HydrophobicContact CG-CB 4.01Å; L359-C403 HydrophobicContact CB-CB 4.35Å; L359-C403 HydrophobicContact CD1-CB 4.21Å; L399-C403 PolarHBondContact O-N 2.78Å; L399-C403 PolarHBondContact O-SG 3.07Å; L401-C403 VanDerWaalsContact C-N 3.28Å; L401-C403 PolarHBondContact O-N 2.96Å
404Y62.1Low59.3Low22 Ų2261.8 Ų61.89%0.08633%0.331CS..THydrogen-bonded Turntrans-110.1-29-175.6-175.9-114.6000113.7Y369 L401 D402 H406 V411 K428Y369-Y404 HydrophobicContact CD2-CD2 4.32Å; Y369-Y404 AromaticContact CD2-CE2 3.96Å; Y369-Y404 HydrophobicContact CD2-CE2 3.96Å; Y369-Y404 AromaticContact CE2-CD2 3.77Å; Y369-Y404 HydrophobicContact CE2-CD2 3.77Å; Y369-Y404 AromaticContact CE2-CE2 3.51Å; Y369-Y404 HydrophobicContact CE2-CE2 3.51Å; L401-Y404 WeakPolarHBondContact O-CA 3.47Å; L401-Y404 WeakPolarHBondContact O-CB 3.42Å; L401-Y404 PolarHBondContact O-N 2.8Å; D402-Y404 PolarHBondContact O-N 2.96Å; Y404-H406 PolarHBondContact O-N 2.81Å; Y404-V411 HydrophobicContact CD1-CG2 4.3Å; Y404-V411 HydrophobicContact CE1-CG2 3.8Å; Y404-K428 WeakPolarHBondContact OH-CA 3.32Å; Y404-K428 VanDerWaalsContact OH-CB 3.27Å; Y404-K428 WeakPolarHBondContact OH-CB 3.06Å
405F56.9Low58.9Low109 Ų10959.9 Ų59.948%0.47832%0.32SS..THydrogen-bonded Turntrans-72.18.5-172.6-85.5-56.2000116.8L401 D402 S407 V411L401-F405 HydrophobicContact CB-CD2 4.1Å; L401-F405 HydrophobicContact CB-CE2 3.85Å; L401-F405 HydrophobicContact CD2-CE2 4.1Å; L401-F405 HydrophobicContact CD2-CZ 4.46Å; L401-F405 HydrophobicContact CG-CE2 4.41Å; L401-F405 VanDerWaalsContact O-CD2 3.24Å; L401-F405 WeakPolarHBondContact O-CD2 3.32Å; L401-F405 PolarHBondContact O-N 2.76Å; D402-F405 PolarHBondContact O-N 3.02Å; F405-S407 PolarHBondContact O-N 2.92Å; F405-S407 VanDerWaalsContact O-N 3.09Å; F405-V411 HydrophobicContact CE1-CG2 3.81Å; F405-V411 HydrophobicContact CZ-CG2 4.26Å
406H53Low58.4Low170 Ų17057.3 Ų57.379%0.78731%0.307SS*.THydrogen-bonded Turntrans-72.67.6175.6-88-78.9000115.2R356 Y404R356-H406 PolarHBondContact NH1-CD2 2.89Å; R356-H406 PolarHBondContact NH2-CD2 2.81Å; R356-H406 VanDerWaalsContact NH2-CD2 3.34Å; Y404-H406 PolarHBondContact O-N 2.81Å
407S49.1Very low57.8Low49 Ų4959.3 Ų59.334%0.34332%0.32SS..SBendtrans-136.5151.1169.659.60000111.4F405 L409F405-S407 PolarHBondContact O-N 2.92Å; F405-S407 VanDerWaalsContact O-N 3.09Å; S407-L409 PolarHBondContact O-N 3.23Å; S407-L409 WeakPolarHBondContact OG-CD1 3.37Å
408S43.8Very low57.4Low134 Ų13461.3 Ų61.394%0.93733%0.328SS*.  trans-76.456-164.242.30000114.6
409L44.9Very low57.4Low36 Ų3660.7 Ų60.719%0.18832%0.316CS..  trans-103.6141-169.1-61170.7000112.9S407 K428S407-L409 PolarHBondContact O-N 3.23Å; S407-L409 WeakPolarHBondContact OG-CD1 3.37Å; L409-K428 HydrophobicContact CD1-CD 4.11Å; L409-K428 HydrophobicContact CD1-CG 3.79Å; L409-K428 HydrophobicContact CD2-CG 3.99Å; L409-K428 HydrophobicContact CG-CG 4.5Å
410K47.3Very low57.3Low117 Ų11757.9 Ų57.951%0.50930%0.302SS..  trans-81.4126.7164.6-61.6164.1-169.31650107.8H429 D432K410-H429 HydrophobicContact CB-CB 4.08Å; K410-H429 WeakPolarHBondContact O-CB 3.39Å; K410-H429 PolarHBondContact O-N 3.11Å; K410-D432 IonicContact NZ-OD1 2.83Å; K410-D432 PolarHBondContact NZ-OD1 3.47Å; K410-D432 IonicContact NZ-OD2 2.73Å; K410-D432 PolarHBondContact NZ-OD2 2.99Å
411V50Low57.4Low38 Ų3857.8 Ų57.823%0.2330%0.3CS..  trans-116.2129.4-176.2-176.50000109.5Y404 F405 A426Y404-V411 HydrophobicContact CD1-CG2 4.3Å; Y404-V411 HydrophobicContact CE1-CG2 3.8Å; F405-V411 HydrophobicContact CE1-CG2 3.81Å; F405-V411 HydrophobicContact CZ-CG2 4.26Å; V411-A426 HydrophobicContact CG1-CB 4.03Å
412L51.6Low57.6Low87 Ų8756.2 Ų56.246%0.45529%0.292SS..  trans-91.7131.8156-80.390.1000108.1F414 A426 Y427L412-F414 HydrophobicContact CB-CE2 3.83Å; L412-F414 HydrophobicContact CB-CZ 4.16Å; L412-F414 HydrophobicContact CD2-CE2 4.28Å; L412-F414 HydrophobicContact CD2-CZ 3.84Å; L412-A426 WeakPolarHBondContact O-CA 3.37Å; L412-Y427 PolarHBondContact O-N 2.72Å
413F55.1Low57.4Low71 Ų7152.1 Ų52.131%0.31127%0.27SS..EExtended strand (participates in β ladder)trans-121.8133.3-176.2173.6-95.5000109.2L401 E415 I424 I425L401-F413 HydrophobicContact CD1-CD2 3.93Å; L401-F413 HydrophobicContact CD1-CE2 3.79Å; L401-F413 HydrophobicContact CD1-CZ 4.35Å; L401-F413 HydrophobicContact CD2-CD2 3.92Å; L401-F413 HydrophobicContact CD2-CE2 4.29Å; L401-F413 HydrophobicContact CG-CD2 4.22Å; L401-F413 HydrophobicContact CG-CE2 4.11Å; F413-E415 HydrophobicContact CD1-CB 4.49Å; F413-E415 HydrophobicContact CE1-CB 3.57Å; F413-E415 HydrophobicContact CZ-CB 3.82Å; F413-E415 WeakPolarHBondContact CZ-OE2 3.49Å; F413-I424 HydrophobicContact CD2-CG2 3.96Å; F413-I424 HydrophobicContact CE2-CB 4.47Å; F413-I424 HydrophobicContact CE2-CD1 4.44Å; F413-I424 HydrophobicContact CE2-CG1 4.36Å; F413-I424 HydrophobicContact CE2-CG2 3.44Å; F413-I424 VanDerWaalsContact CE2-CG2 3.44Å; F413-I424 HydrophobicContact CZ-CG1 4.42Å; F413-I424 HydrophobicContact CZ-CG2 4.26Å; F413-I425 WeakPolarHBondContact CA-O 3.37Å
414F57.3Low57.8Low40 Ų4051.7 Ų51.718%0.17527%0.267CS..EExtended strand (participates in β ladder)trans-130.4119.6176.1-58.5-79.9000109.2L412 I424 I425 V443 A445 I466L412-F414 HydrophobicContact CB-CE2 3.83Å; L412-F414 HydrophobicContact CB-CZ 4.16Å; L412-F414 HydrophobicContact CD2-CE2 4.28Å; L412-F414 HydrophobicContact CD2-CZ 3.84Å; F414-I424 CarbonylContact O-C 3.6Å; F414-I424 WeakPolarHBondContact O-CA 3.12Å; F414-I425 PolarHBondContact N-O 3.45Å; F414-I425 PolarHBondContact O-N 3.46Å; F414-V443 HydrophobicContact CD1-CG1 4.18Å; F414-V443 HydrophobicContact CD2-CG1 4.48Å; F414-V443 HydrophobicContact CE1-CB 4.32Å; F414-V443 HydrophobicContact CE1-CG1 3.56Å; F414-V443 HydrophobicContact CE2-CB 4.39Å; F414-V443 HydrophobicContact CE2-CG1 3.89Å; F414-V443 HydrophobicContact CE2-CG2 3.96Å; F414-V443 HydrophobicContact CZ-CB 3.81Å; F414-V443 HydrophobicContact CZ-CG1 3.4Å; F414-V443 HydrophobicContact CZ-CG2 3.8Å; F414-A445 HydrophobicContact CD1-CB 4.16Å; F414-A445 HydrophobicContact CE1-CB 4.33Å; F414-I466 HydrophobicContact CB-CD1 4.12Å
415E57.3Low58Low43 Ų4351.1 Ų51.120%0.20127%0.265CS..EExtended strand (participates in β ladder)trans-114.6134.7176.8172.9167.9163.200109.5S393 S397 F413 V417 I422 L423S393-E415 PolarHBondContact OG-OE1 2.66Å; S397-E415 WeakPolarHBondContact CB-OE2 3.13Å; S397-E415 PolarHBondContact OG-OE2 3.17Å; F413-E415 HydrophobicContact CD1-CB 4.49Å; F413-E415 HydrophobicContact CE1-CB 3.57Å; F413-E415 HydrophobicContact CZ-CB 3.82Å; F413-E415 WeakPolarHBondContact CZ-OE2 3.49Å; E415-V417 HydrophobicContact CG-CG2 3.93Å; E415-V417 WeakPolarHBondContact OE1-CG2 3.31Å; E415-I422 VanDerWaalsContact CD-CD1 3.49Å; E415-I422 HydrophobicContact CG-CD1 3.74Å; E415-I422 HydrophobicContact CG-CG1 3.93Å; E415-I422 WeakPolarHBondContact OE1-CD1 3.33Å; E415-L423 WeakPolarHBondContact CA-O 3.41Å
416V56.4Low58.6Low19 Ų1946.3 Ų46.312%0.11525%0.245CC..EExtended strand (participates in β ladder)trans-128.6114.3167.7177.20000108.3I422 L423 Y447 V464 I466V416-I422 CarbonylContact O-C 3.54Å; V416-I422 VanDerWaalsContact O-CA 3.3Å; V416-I422 WeakPolarHBondContact O-CA 3.24Å; V416-L423 PolarHBondContact N-O 3.13Å; V416-L423 PolarHBondContact O-N 3.44Å; V416-Y447 HydrophobicContact CG2-CD1 3.78Å; V416-Y447 HydrophobicContact CG2-CE1 3.79Å; V416-V464 HydrophobicContact CG1-CB 4.02Å; V416-V464 HydrophobicContact CG1-CG1 4.08Å; V416-I466 HydrophobicContact CB-CD1 4.42Å; V416-I466 HydrophobicContact CB-CG1 4.34Å; V416-I466 HydrophobicContact CG2-CD1 3.82Å; V416-I466 HydrophobicContact CG2-CG1 3.6Å
417V59.5Low59.4Low43 Ų4340 Ų4026%0.26122%0.215SC..EExtended strand (participates in β ladder)trans-101.4137.6173.5-177.70000109.3I389 E415 I422I389-V417 HydrophobicContact CG2-CG2 4.4Å; E415-V417 HydrophobicContact CG-CG2 3.93Å; E415-V417 WeakPolarHBondContact OE1-CG2 3.31Å; V417-I422 HydrophobicContact CG2-CD1 4.08Å; V417-I422 HydrophobicContact CG2-CG1 3.94Å
418F59.2Low60.2Low47 Ų4738.9 Ų38.921%0.20620%0.204CC..EExtended strand (participates in β ladder)trans-147.2117.2165.9-174.8-108.5000111.2L420 T421 A451 V464F418-L420 PolarHBondContact O-N 3.37Å; F418-T421 PolarHBondContact N-O 2.88Å; F418-T421 PolarHBondContact O-N 2.79Å; F418-A451 HydrophobicContact CE1-CB 4.14Å; F418-A451 HydrophobicContact CE2-CB 3.91Å; F418-A451 HydrophobicContact CZ-CB 3.37Å; F418-V464 HydrophobicContact CB-CG1 3.47Å; F418-V464 VanDerWaalsContact CB-CG1 3.47Å
419I65.5Low60.7Low45 Ų4535.4 Ų35.423%0.23117%0.173CC..THydrogen-bonded Turntrans50.3-96.1-173.6-42.2175.8000110.8G459I419-G459 WeakPolarHBondContact CD1-O 3.44Å
420L67.1Low60.7Low6 Ų639.2 Ų39.23%0.03119%0.189CC..THydrogen-bonded Turntrans-110.46-177.3-49.1-170.1000114.7Q374 E375 L376 D377 L378 F418 N460Q374-L420 CarbonylContact C-O 3.58Å; E375-L420 HydrophobicContact CG-CD1 4.35Å; E375-L420 PolarHBondContact N-O 3.35Å; L376-L420 WeakPolarHBondContact CD1-O 3.37Å; L376-L420 PolarHBondContact N-O 2.84Å; L376-L420 VanDerWaalsContact N-O 3.09Å; D377-L420 WeakPolarHBondContact O-CD2 3.33Å; L378-L420 HydrophobicContact CD2-CD1 3.79Å; F418-L420 PolarHBondContact O-N 3.37Å; L420-N460 HydrophobicContact CD1-CB 3.83Å
421T68.1Low60.4Low5 Ų539 Ų393%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-120.7132-171.2-49.30000110F373 F418 V464 N479F373-T421 WeakPolarHBondContact O-CA 3.43Å; F418-T421 PolarHBondContact N-O 2.88Å; F418-T421 PolarHBondContact O-N 2.79Å; T421-V464 HydrophobicContact CG2-CG2 3.94Å; T421-N479 HydrophobicContact CG2-CB 4.4Å; T421-N479 VanDerWaalsContact CG2-ND2 3.27Å; T421-N479 WeakPolarHBondContact CG2-ND2 3.38Å
422I72.6Confident59.7Low0 Ų041.2 Ų41.20%020%0.204CC..EExtended strand (participates in β ladder)trans-119.8146.5174.6-165.6175.1000110.2G372 F373 L376 E415 V416 V417 I424 N479G372-I422 WeakPolarHBondContact CA-O 3.39Å; F373-I422 HydrophobicContact CB-CG2 3.6Å; F373-I422 HydrophobicContact CD2-CG2 3.51Å; F373-I422 HydrophobicContact CG-CG2 3.95Å; F373-I422 PolarHBondContact N-O 3.08Å; F373-I422 VanDerWaalsContact N-O 3.15Å; F373-I422 PolarHBondContact O-N 3.35Å; F373-I422 VanDerWaalsContact O-N 3.1Å; L376-I422 HydrophobicContact CD1-CB 4.04Å; L376-I422 HydrophobicContact CD1-CG2 3.79Å; L376-I422 HydrophobicContact CD2-CB 4.28Å; L376-I422 HydrophobicContact CD2-CG2 4.14Å; E415-I422 VanDerWaalsContact CD-CD1 3.49Å; E415-I422 HydrophobicContact CG-CD1 3.74Å; E415-I422 HydrophobicContact CG-CG1 3.93Å; E415-I422 WeakPolarHBondContact OE1-CD1 3.33Å; V416-I422 CarbonylContact O-C 3.54Å; V416-I422 VanDerWaalsContact O-CA 3.3Å; V416-I422 WeakPolarHBondContact O-CA 3.24Å; V417-I422 HydrophobicContact CG2-CD1 4.08Å; V417-I422 HydrophobicContact CG2-CG1 3.94Å; I422-I424 HydrophobicContact CD1-CD1 3.99Å; I422-I424 HydrophobicContact CD1-CG1 3.88Å; I422-I424 HydrophobicContact CG1-CG1 4.1Å; I422-N479 PolarHBondContact O-ND2 3.22Å
423L65.1Low58.8Low0 Ų046.1 Ų46.10%023%0.225CC..EExtended strand (participates in β ladder)trans-126.9123.5162.1175.160.8000109.3E415 V416 V464 I466 V477 N479 I526E415-L423 WeakPolarHBondContact CA-O 3.41Å; V416-L423 PolarHBondContact N-O 3.13Å; V416-L423 PolarHBondContact O-N 3.44Å; L423-V464 HydrophobicContact CB-CG2 3.64Å; L423-I466 HydrophobicContact CB-CD1 4.46Å; L423-I466 HydrophobicContact CD2-CB 4.1Å; L423-I466 HydrophobicContact CD2-CD1 4.15Å; L423-I466 HydrophobicContact CD2-CG1 3.93Å; L423-I466 HydrophobicContact CG-CD1 3.97Å; L423-I466 HydrophobicContact CG-CG1 4.3Å; L423-V477 HydrophobicContact CD1-CG1 3.87Å; L423-V477 HydrophobicContact CD2-CB 4.14Å; L423-V477 HydrophobicContact CD2-CG1 3.94Å; L423-V477 WeakPolarHBondContact CD2-O 3.39Å; L423-N479 HydrophobicContact CB-CB 4.2Å; L423-N479 HydrophobicContact CD1-CB 4.38Å; L423-I526 HydrophobicContact CD1-CD1 4.1Å
424I71.4Confident57.7Low5 Ų547.1 Ų47.13%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-108.6133.4176.6-63.4173.3000108.7C370 L371 F373 S397 F413 F414 I422C370-I424 CarbonylContact C-O 3.57Å; C370-I424 WeakPolarHBondContact CA-O 3.36Å; L371-I424 HydrophobicContact CB-CB 4.34Å; L371-I424 PolarHBondContact N-O 2.81Å; L371-I424 PolarHBondContact O-N 3.21Å; F373-I424 HydrophobicContact CE2-CD1 4.21Å; S397-I424 WeakPolarHBondContact OG-CD1 3.33Å; F413-I424 HydrophobicContact CD2-CG2 3.96Å; F413-I424 HydrophobicContact CE2-CB 4.47Å; F413-I424 HydrophobicContact CE2-CD1 4.44Å; F413-I424 HydrophobicContact CE2-CG1 4.36Å; F413-I424 HydrophobicContact CE2-CG2 3.44Å; F413-I424 VanDerWaalsContact CE2-CG2 3.44Å; F413-I424 HydrophobicContact CZ-CG1 4.42Å; F413-I424 HydrophobicContact CZ-CG2 4.26Å; F414-I424 CarbonylContact O-C 3.6Å; F414-I424 WeakPolarHBondContact O-CA 3.12Å; I422-I424 HydrophobicContact CD1-CD1 3.99Å; I422-I424 HydrophobicContact CD1-CG1 3.88Å; I422-I424 HydrophobicContact CG1-CG1 4.1Å
425I67.5Low56.5Low9 Ų950.3 Ų50.35%0.04625%0.25CC..EExtended strand (participates in β ladder)trans-123.9131.1165.5-60.2-175.4000109.7I368 Y369 C370 F413 F414 I466 F468 V477I368-I425 HydrophobicContact CG2-CG2 4.36Å; Y369-I425 WeakPolarHBondContact O-CA 3.39Å; C370-I425 HydrophobicContact CB-CG1 4.41Å; F413-I425 WeakPolarHBondContact CA-O 3.37Å; F414-I425 PolarHBondContact N-O 3.45Å; F414-I425 PolarHBondContact O-N 3.46Å; I425-I466 HydrophobicContact CD1-CB 3.85Å; I425-I466 HydrophobicContact CD1-CD1 4.22Å; I425-I466 HydrophobicContact CD1-CG2 3.81Å; I425-I466 HydrophobicContact CG1-CD1 4.14Å; I425-F468 HydrophobicContact CD1-CD1 4.21Å; I425-F468 HydrophobicContact CD1-CE1 3.7Å; I425-V477 HydrophobicContact CD1-CB 4.03Å; I425-V477 HydrophobicContact CD1-CG2 3.82Å
426A69.3Low55.1Low8 Ų855.7 Ų55.77%0.06628%0.28CS..EExtended strand (participates in β ladder)trans-129.3144.9175.400000110.9I368 Y369 V411 L412I368-A426 WeakPolarHBondContact CA-O 3.23Å; Y369-A426 PolarHBondContact N-O 2.92Å; Y369-A426 PolarHBondContact O-N 3.21Å; V411-A426 HydrophobicContact CG1-CB 4.03Å; L412-A426 WeakPolarHBondContact O-CA 3.37Å
427Y69.9Low53.9Low38 Ų3859.2 Ų59.215%0.14930%0.298CS..EExtended strand (participates in β ladder)trans-124.6144.8-180170.5-109.9000112.8D367 I368 L412 H429 F441 F470D367-Y427 VanDerWaalsContact O-CD2 3.23Å; D367-Y427 WeakPolarHBondContact O-CD2 3.49Å; I368-Y427 HydrophobicContact CD1-CD2 4.27Å; I368-Y427 HydrophobicContact CG1-CD2 3.68Å; I368-Y427 HydrophobicContact CG1-CE2 4.47Å; L412-Y427 PolarHBondContact O-N 2.72Å; Y427-H429 HydrophobicContact CE1-CB 4.19Å; Y427-F441 HydrophobicContact CD1-CD2 4.2Å; Y427-F441 AromaticContact CD1-CE2 3.47Å; Y427-F441 HydrophobicContact CD1-CE2 3.47Å; Y427-F441 VanDerWaalsContact CD1-CE2 3.47Å; Y427-F441 HydrophobicContact CD1-CZ 4.1Å; Y427-F441 AromaticContact CD2-CE2 3.68Å; Y427-F441 HydrophobicContact CD2-CE2 3.68Å; Y427-F441 AromaticContact CD2-CZ 3.82Å; Y427-F441 HydrophobicContact CD2-CZ 3.82Å; Y427-F441 HydrophobicContact CE1-CD2 4.09Å; Y427-F441 AromaticContact CE1-CE2 3.52Å; Y427-F441 HydrophobicContact CE1-CE2 3.52Å; Y427-F441 HydrophobicContact CE1-CZ 4.5Å; Y427-F441 AromaticContact CE2-CE2 3.73Å; Y427-F441 HydrophobicContact CE2-CE2 3.73Å; Y427-F441 HydrophobicContact CE2-CZ 4.25Å; Y427-F441 AromaticContact CG-CE2 3.55Å; Y427-F441 HydrophobicContact CG-CE2 3.55Å; Y427-F441 AromaticContact CG-CZ 3.73Å; Y427-F441 HydrophobicContact CG-CZ 3.73Å; Y427-F441 AromaticContact CZ-CE2 3.65Å; Y427-F470 HydrophobicContact CE2-CE2 4.11Å; Y427-F470 AromaticContact CE2-CZ 4Å; Y427-F470 HydrophobicContact CE2-CZ 4Å
428K65.3Low52.5Low26 Ų2660.2 Ų60.211%0.11331%0.307CS..  trans-89.5102.7174-176.9162.4169.5-154.20112.3P365 P366 D367 Y404 L409 Q430P365-K428 PolarHBondContact O-NZ 2.68Å; P366-K428 WeakPolarHBondContact O-CD 3.35Å; D367-K428 WeakPolarHBondContact O-CB 3.31Å; D367-K428 PolarHBondContact O-N 3.42Å; Y404-K428 WeakPolarHBondContact OH-CA 3.32Å; Y404-K428 VanDerWaalsContact OH-CB 3.27Å; Y404-K428 WeakPolarHBondContact OH-CB 3.06Å; L409-K428 HydrophobicContact CD1-CD 4.11Å; L409-K428 HydrophobicContact CD1-CG 3.79Å; L409-K428 HydrophobicContact CD2-CG 3.99Å; L409-K428 HydrophobicContact CG-CG 4.5Å; K428-Q430 PolarHBondContact O-N 2.65Å
429H55.5Low51.2Low60 Ų6061.8 Ų61.828%0.27832%0.32SS..  trans-75.697.9171.5-169.8-72.9000112.2K410 Y427 N431 D432K410-H429 HydrophobicContact CB-CB 4.08Å; K410-H429 WeakPolarHBondContact O-CB 3.39Å; K410-H429 PolarHBondContact O-N 3.11Å; Y427-H429 HydrophobicContact CE1-CB 4.19Å; H429-N431 PolarHBondContact CE1-O 3.31Å; H429-D432 IonicContact CE1-OD1 2.72Å
430Q44.9Very low49.6Very low116 Ų11660.6 Ų60.654%0.54232%0.317SS..  trans-93.9123.4175.3-158.7168.57.900111.7K428K428-Q430 PolarHBondContact O-N 2.65Å
431N39.7Very low48Very low114 Ų11463.2 Ų63.261%0.6133%0.328SS*.  trans65.9121.8177.1-60.2-24.4000117.9H429 H433H429-N431 PolarHBondContact CE1-O 3.31Å; N431-H433 PolarHBondContact O-N 2.88Å
432D35.7Very low46.3Very low83 Ų8366.8 Ų66.844%0.44435%0.345SS..G310 helixtrans-72.1-6.1176.7-83.6-36.6000114.6K410 H429 M434 L435K410-D432 IonicContact NZ-OD1 2.83Å; K410-D432 PolarHBondContact NZ-OD1 3.47Å; K410-D432 IonicContact NZ-OD2 2.73Å; K410-D432 PolarHBondContact NZ-OD2 2.99Å; H429-D432 IonicContact CE1-OD1 2.72Å; D432-M434 PolarHBondContact O-N 3.42Å; D432-M434 VanDerWaalsContact O-N 3.16Å; D432-L435 WeakPolarHBondContact O-CD1 3.42Å; D432-L435 WeakPolarHBondContact O-CG 3.32Å; D432-L435 PolarHBondContact O-N 2.84Å
433H32.9Very low44.4Very low191 Ų19168.6 Ų68.688%0.88436%0.356SS*.G310 helixtrans-66.8-12.2-179.7-78.2-72.4000115N431N431-H433 PolarHBondContact O-N 2.88Å
434M31.5Very low42.9Very low91 Ų9170 Ų7045%0.44836%0.364SS..G310 helixtrans-96.315.1-179-111.5-168.469.800115.1D432 N436 L437 A440D432-M434 PolarHBondContact O-N 3.42Å; D432-M434 VanDerWaalsContact O-N 3.16Å; M434-N436 PolarHBondContact O-N 2.88Å; M434-L437 HydrophobicContact CE-CB 4.08Å; M434-L437 HydrophobicContact CE-CD1 3.98Å; M434-L437 PolarHBondContact O-N 3.35Å; M434-A440 HydrophobicContact CE-CB 4.1Å
435L31.5Very low41Very low108 Ų10871 Ų7157%0.56537%0.373SS*.THydrogen-bonded Turntrans-56-14.6-179-88.2165.9000116D432D432-L435 WeakPolarHBondContact O-CD1 3.42Å; D432-L435 WeakPolarHBondContact O-CG 3.32Å; D432-L435 PolarHBondContact O-N 2.84Å
436N28.8Very low39.4Very low155 Ų15573.9 Ų73.983%0.82939%0.385SS*.THydrogen-bonded Turntrans-98.79.2-176.1-67.38000114.6M434M434-N436 PolarHBondContact O-N 2.88Å
437L30.2Very low37.7Very low94 Ų9479.5 Ų79.549%0.49241%0.406SS..  trans-116.484.8174.6-81.6169.8000111.7M434 T439 A440M434-L437 HydrophobicContact CE-CB 4.08Å; M434-L437 HydrophobicContact CE-CD1 3.98Å; M434-L437 PolarHBondContact O-N 3.35Å; L437-T439 PolarHBondContact O-N 3.13Å; L437-A440 PolarHBondContact O-N 3.23Å
438S30.6Very low35.8Very low64 Ų6478.8 Ų78.845%0.44841%0.406SS..THydrogen-bonded Turntrans-69.529.217859.90000115R134R134-S438 PolarHBondContact NH1-O 2.78Å
439T31.2Very low34.5Very low79 Ų7984.9 Ų84.949%0.48543%0.433SS..THydrogen-bonded Turntrans-127-11-177.3430000113.9L437 F441L437-T439 PolarHBondContact O-N 3.13Å; T439-F441 PolarHBondContact O-N 3.32Å
440A32Very low33.4Very low20 Ų2085.5 Ų85.517%0.16544%0.438CS..SBendtrans-66.1-35.3-175.200000114.1M434 L437 H471M434-A440 HydrophobicContact CE-CB 4.1Å; L437-A440 PolarHBondContact O-N 3.23Å; A440-H471 PolarHBondContact O-N 2.99Å
441F33.8Very low32.9Very low62 Ų6282.5 Ų82.527%0.27243%0.433SS..EExtended strand (participates in β ladder)trans-135.388.5177.8-102.6-69.3000111.3I368 Y427 T439 V443 F468 F470I368-F441 HydrophobicContact CD1-CZ 4.45Å; Y427-F441 HydrophobicContact CD1-CD2 4.2Å; Y427-F441 AromaticContact CD1-CE2 3.47Å; Y427-F441 HydrophobicContact CD1-CE2 3.47Å; Y427-F441 VanDerWaalsContact CD1-CE2 3.47Å; Y427-F441 HydrophobicContact CD1-CZ 4.1Å; Y427-F441 AromaticContact CD2-CE2 3.68Å; Y427-F441 HydrophobicContact CD2-CE2 3.68Å; Y427-F441 AromaticContact CD2-CZ 3.82Å; Y427-F441 HydrophobicContact CD2-CZ 3.82Å; Y427-F441 HydrophobicContact CE1-CD2 4.09Å; Y427-F441 AromaticContact CE1-CE2 3.52Å; Y427-F441 HydrophobicContact CE1-CE2 3.52Å; Y427-F441 HydrophobicContact CE1-CZ 4.5Å; Y427-F441 AromaticContact CE2-CE2 3.73Å; Y427-F441 HydrophobicContact CE2-CE2 3.73Å; Y427-F441 HydrophobicContact CE2-CZ 4.25Å; Y427-F441 AromaticContact CG-CE2 3.55Å; Y427-F441 HydrophobicContact CG-CE2 3.55Å; Y427-F441 AromaticContact CG-CZ 3.73Å; Y427-F441 HydrophobicContact CG-CZ 3.73Å; Y427-F441 AromaticContact CZ-CE2 3.65Å; T439-F441 PolarHBondContact O-N 3.32Å; F441-V443 VanDerWaalsContact C-N 3.27Å; F441-V443 HydrophobicContact CB-CG2 4.36Å; F441-V443 HydrophobicContact CD1-CG2 3.41Å; F441-V443 VanDerWaalsContact CD1-CG2 3.41Å; F441-V443 HydrophobicContact CE1-CG2 4.04Å; F441-V443 HydrophobicContact CG-CG2 4.25Å; F441-V443 PolarHBondContact O-N 2.98Å; F441-F468 HydrophobicContact CE1-CD2 4.05Å; F441-F468 HydrophobicContact CE1-CE2 4.32Å; F441-F470 HydrophobicContact CD1-CD2 4.16Å; F441-F470 AromaticContact CD2-CD2 3.82Å; F441-F470 HydrophobicContact CD2-CD2 3.82Å; F441-F470 AromaticContact CD2-CE2 3.92Å; F441-F470 HydrophobicContact CD2-CE2 3.92Å; F441-F470 HydrophobicContact CE1-CB 4.29Å; F441-F470 AromaticContact CE1-CD2 3.77Å; F441-F470 HydrophobicContact CE1-CD2 3.77Å; F441-F470 HydrophobicContact CE1-CE2 4.5Å; F441-F470 HydrophobicContact CE1-CG 4.26Å; F441-F470 AromaticContact CE2-CD2 3.35Å; F441-F470 HydrophobicContact CE2-CD2 3.35Å; F441-F470 AromaticContact CE2-CE2 3.29Å; F441-F470 HydrophobicContact CE2-CE2 3.29Å; F441-F470 HydrophobicContact CE2-CG 4.43Å; F441-F470 HydrophobicContact CE2-CZ 4.32Å; F441-F470 HydrophobicContact CG-CD2 4.22Å; F441-F470 AromaticContact CZ-CD2 3.35Å; F441-F470 HydrophobicContact CZ-CD2 3.35Å; F441-F470 AromaticContact CZ-CE2 3.66Å; F441-F470 HydrophobicContact CZ-CE2 3.66Å; F441-F470 HydrophobicContact CZ-CG 4.03Å
442Q33.3Very low32.8Very low80 Ų8078.6 Ų78.637%0.37441%0.412SS..EExtended strand (participates in β ladder)trans-83.379.9157.1-86.9-164.5-25.300109T444 R469Q442-T444 PolarHBondContact O-N 2.74Å; Q442-R469 HydrophobicContact CB-CB 4.4Å; Q442-R469 PolarHBondContact N-O 2.85Å; Q442-R469 PolarHBondContact O-N 3.27Å
443V33.4Very low32.9Very low38 Ų3880.2 Ų80.223%0.2342%0.419CS..  trans-73.977.5165.1-1710000109.2F414 F441 A445 F468F414-V443 HydrophobicContact CD1-CG1 4.18Å; F414-V443 HydrophobicContact CD2-CG1 4.48Å; F414-V443 HydrophobicContact CE1-CB 4.32Å; F414-V443 HydrophobicContact CE1-CG1 3.56Å; F414-V443 HydrophobicContact CE2-CB 4.39Å; F414-V443 HydrophobicContact CE2-CG1 3.89Å; F414-V443 HydrophobicContact CE2-CG2 3.96Å; F414-V443 HydrophobicContact CZ-CB 3.81Å; F414-V443 HydrophobicContact CZ-CG1 3.4Å; F414-V443 HydrophobicContact CZ-CG2 3.8Å; F441-V443 VanDerWaalsContact C-N 3.27Å; F441-V443 HydrophobicContact CB-CG2 4.36Å; F441-V443 HydrophobicContact CD1-CG2 3.41Å; F441-V443 VanDerWaalsContact CD1-CG2 3.41Å; F441-V443 HydrophobicContact CE1-CG2 4.04Å; F441-V443 HydrophobicContact CG-CG2 4.25Å; F441-V443 PolarHBondContact O-N 2.98Å; V443-A445 HydrophobicContact CG1-CB 3.56Å; V443-A445 PolarHBondContact O-N 2.72Å; V443-F468 HydrophobicContact CG1-CB 4.32Å
444T32.2Very low33.2Very low28 Ų2874.5 Ų74.517%0.17239%0.392CS..  trans-72.767.2156.4-46.40000108.3Q442 K446 L508Q442-T444 PolarHBondContact O-N 2.74Å; T444-K446 HydrophobicContact CG2-CB 4.39Å; T444-K446 HydrophobicContact CG2-CD 3.8Å; T444-K446 HydrophobicContact CG2-CG 3.79Å; T444-K446 PolarHBondContact O-N 2.81Å; T444-L508 HydrophobicContact CG2-CD1 4.11Å; T444-L508 HydrophobicContact CG2-CD2 4.27Å; T444-L508 HydrophobicContact CG2-CG 4.08Å
445A31.7Very low33.4Very low26 Ų2676.6 Ų76.622%0.21540%0.4CS..  trans-6968.7167.100000108.9F414 V443 Y447F414-A445 HydrophobicContact CD1-CB 4.16Å; F414-A445 HydrophobicContact CE1-CB 4.33Å; V443-A445 HydrophobicContact CG1-CB 3.56Å; V443-A445 PolarHBondContact O-N 2.72Å; A445-Y447 WeakPolarHBondContact O-CD2 3.38Å; A445-Y447 PolarHBondContact O-N 3.29Å; A445-Y447 VanDerWaalsContact O-N 3.11Å
446K33.3Very low33.7Very low71 Ų7177.7 Ų77.731%0.30941%0.414SS..  trans-77.994.7168.6-86-178.6170.8-175.20107.4T444 S448 R506 Q507T444-K446 HydrophobicContact CG2-CB 4.39Å; T444-K446 HydrophobicContact CG2-CD 3.8Å; T444-K446 HydrophobicContact CG2-CG 3.79Å; T444-K446 PolarHBondContact O-N 2.81Å; K446-S448 PolarHBondContact O-N 3.24Å; K446-R506 HydrophobicContact CD-CB 4.14Å; K446-R506 WeakPolarHBondContact CD-O 3.34Å; K446-Q507 PolarHBondContact NZ-O 3.29Å
447Y34Very low34.4Very low126 Ų12674.5 Ų74.549%0.49440%0.404SS..  trans-49.4102.6165.5-53.9-83.9000109V416 A445V416-Y447 HydrophobicContact CG2-CD1 3.78Å; V416-Y447 HydrophobicContact CG2-CE1 3.79Å; A445-Y447 WeakPolarHBondContact O-CD2 3.38Å; A445-Y447 PolarHBondContact O-N 3.29Å; A445-Y447 VanDerWaalsContact O-N 3.11Å
448S31.6Very low35.2Very low23 Ų2375.2 Ų75.216%0.16141%0.405CS..  trans-101.685.8167.4-95.30000107.7K446 L450 Q504 F505 R506K446-S448 PolarHBondContact O-N 3.24Å; S448-L450 PolarHBondContact O-N 2.8Å; S448-Q504 WeakPolarHBondContact CB-O 3.49Å; S448-Q504 PolarHBondContact OG-O 3.23Å; S448-F505 VanDerWaalsContact OG-CA 3.32Å; S448-F505 WeakPolarHBondContact OG-CA 3.49Å; S448-R506 PolarHBondContact OG-N 2.85Å
449F35.9Very low36.2Very low153 Ų15372.7 Ų72.767%0.67139%0.389SS*.  trans-56.7120164.6-64.8-87.3000108.8
450L33.1Very low37.7Very low74 Ų7471.3 Ų71.339%0.38738%0.378SS..  trans-139.388162.6-159.5122.4000109.9S448 L452 R502S448-L450 PolarHBondContact O-N 2.8Å; L450-L452 HydrophobicContact CD2-CD2 3.82Å; L450-L452 HydrophobicContact CD2-CG 4.04Å; L450-L452 PolarHBondContact O-N 2.87Å; L450-R502 WeakPolarHBondContact CD1-O 3.33Å; L450-R502 HydrophobicContact CD2-CB 3.48Å; L450-R502 VanDerWaalsContact CD2-CB 3.48Å
451A34.1Very low39.7Very low52 Ų5272.3 Ų72.343%0.4338%0.379SS..  trans-64.1113175.400000110.6F418 I453F418-A451 HydrophobicContact CE1-CB 4.14Å; F418-A451 HydrophobicContact CE2-CB 3.91Å; F418-A451 HydrophobicContact CZ-CB 3.37Å; A451-I453 VanDerWaalsContact C-N 3.31Å; A451-I453 HydrophobicContact CB-CD1 4.49Å; A451-I453 HydrophobicContact CB-CG1 4.28Å; A451-I453 PolarHBondContact O-N 2.94Å
452L37.7Very low41.8Very low33 Ų3370 Ų7017%0.17337%0.373CS..  trans-92.567.1167.4-68.1175.4000110.3L450 F454 D498 I499 R502L450-L452 HydrophobicContact CD2-CD2 3.82Å; L450-L452 HydrophobicContact CD2-CG 4.04Å; L450-L452 PolarHBondContact O-N 2.87Å; L452-F454 VanDerWaalsContact C-N 3.28Å; L452-F454 HydrophobicContact CB-CD2 4.07Å; L452-F454 HydrophobicContact CB-CE2 4.14Å; L452-F454 HydrophobicContact CD1-CE2 4.47Å; L452-F454 HydrophobicContact CD2-CE2 4Å; L452-F454 HydrophobicContact CG-CE2 4.42Å; L452-F454 PolarHBondContact O-N 3.06Å; L452-D498 HydrophobicContact CD1-CB 3.99Å; L452-I499 HydrophobicContact CD1-CG1 4.17Å; L452-R502 HydrophobicContact CD2-CB 4.41Å
453I37.7Very low44Very low117 Ų11767 Ų6760%0.636%0.362SS*.  trans-71.489.4167.7-57.6173.1000107.7A451A451-I453 VanDerWaalsContact C-N 3.31Å; A451-I453 HydrophobicContact CB-CD1 4.49Å; A451-I453 HydrophobicContact CB-CG1 4.28Å; A451-I453 PolarHBondContact O-N 2.94Å
454F39.5Very low46.2Very low70 Ų7065.6 Ų65.631%0.30735%0.353SS..  trans-93.7115.6169.4-80.2-68.3000110.3L452 D498L452-F454 VanDerWaalsContact C-N 3.28Å; L452-F454 HydrophobicContact CB-CD2 4.07Å; L452-F454 HydrophobicContact CB-CE2 4.14Å; L452-F454 HydrophobicContact CD1-CE2 4.47Å; L452-F454 HydrophobicContact CD2-CE2 4Å; L452-F454 HydrophobicContact CG-CE2 4.42Å; L452-F454 PolarHBondContact O-N 3.06Å; F454-D498 HydrophobicContact CE2-CB 4.08Å; F454-D498 HydrophobicContact CZ-CB 4.47Å
455H36.8Very low48.4Very low135 Ų13565 Ų6563%0.62535%0.351SS*.  trans67.6127177.8-112.7-108.2000115.8S457 Q458H455-S457 PolarHBondContact ND1-OG 3.04Å; H455-S457 PolarHBondContact O-N 3.07Å; H455-Q458 PolarHBondContact O-N 2.86Å
456P37.5Very low50.5Low131 Ų13164.1 Ų64.185%0.85134%0.343SS*.THydrogen-bonded Turntrans-59.4-4.6174-25.835.5000115.9
457S42.7Very low52.6Low88 Ų8862 Ų6262%0.61533%0.333SS*.THydrogen-bonded Turntrans-96.1-10.4-177.548.60000115.3H455H455-S457 PolarHBondContact ND1-OG 3.04Å; H455-S457 PolarHBondContact O-N 3.07Å
458Q47.3Very low54.3Low110 Ų11056.3 Ų56.351%0.51431%0.311SS..  trans-147.840.1-172.2-69.3-174.7-20.700114.4H455 N460H455-Q458 PolarHBondContact O-N 2.86Å; Q458-N460 PolarHBondContact O-N 2.93Å
459G51.1Low56.1Low11 Ų1159.8 Ų59.811%0.11332%0.32CS..THydrogen-bonded Turntrans-69.822.3-171.300000118.3I419I419-G459 WeakPolarHBondContact CD1-O 3.44Å
460N62.4Low57.8Low49 Ų4952.5 Ų52.526%0.26229%0.288SS..THydrogen-bonded Turntrans-107.4-0.4-175.274.2-38.8000115.5E375 L420 Q458 H481E375-N460 PolarHBondContact OE1-ND2 2.93Å; L420-N460 HydrophobicContact CD1-CB 3.83Å; Q458-N460 PolarHBondContact O-N 2.93Å; N460-H481 PolarHBondContact O-ND1 2.96Å; N460-H481 VanDerWaalsContact O-ND1 3.15Å
461K74.8Confident59.8Low41 Ų4150 Ų5018%0.17827%0.274CS..  trans-112.4151.9179.5-55-50.6-171.7-172.30110.5E375 H481 L482E375-K461 IonicContact OE1-NZ 2.81Å; E375-K461 PolarHBondContact OE1-NZ 2.77Å; K461-H481 CarbonylContact C-O 3.45Å; K461-H481 WeakPolarHBondContact CA-O 3.44Å; K461-H481 VanDerWaalsContact CB-O 3.3Å; K461-H481 WeakPolarHBondContact CB-O 3.48Å; K461-H481 WeakPolarHBondContact CD-CE1 3.38Å; K461-H481 PolarHBondContact NZ-CE1 2.99Å; K461-H481 PolarHBondContact NZ-NE2 3.38Å; K461-L482 WeakPolarHBondContact CD-O 3.46Å
462G76.9Confident61.5Low15 Ų1549.9 Ų49.916%0.15527%0.266CS..EExtended strand (participates in β ladder)trans162.8-158.8-173.900000113.8S480 H481G462-S480 WeakPolarHBondContact O-CA 3.33Å; G462-H481 PolarHBondContact N-O 2.89Å; G462-H481 PolarHBondContact O-N 3.38Å
463A81.1Confident63.3Low17 Ų1748.5 Ų48.514%0.1426%0.26CS..EExtended strand (participates in β ladder)trans-153.2154.9175.500000113.1V478 N479 I499A463-V478 HydrophobicContact CB-CG1 4.41Å; A463-N479 CarbonylContact C-O 3.45Å; A463-N479 VanDerWaalsContact CA-O 3.25Å; A463-N479 WeakPolarHBondContact CA-O 3.45Å; A463-N479 WeakPolarHBondContact CB-O 3.43Å; A463-I499 HydrophobicContact CB-CD1 3.67Å; A463-I499 HydrophobicContact CB-CG1 3.92Å; A463-I499 HydrophobicContact CB-CG2 4.06Å
464V78.2Confident65.4Low8 Ų844.3 Ų44.35%0.04824%0.238CC..EExtended strand (participates in β ladder)trans-124.2151.3168.9-63.90000109.6V416 F418 T421 L423 N479V416-V464 HydrophobicContact CG1-CB 4.02Å; V416-V464 HydrophobicContact CG1-CG1 4.08Å; F418-V464 HydrophobicContact CB-CG1 3.47Å; F418-V464 VanDerWaalsContact CB-CG1 3.47Å; T421-V464 HydrophobicContact CG2-CG2 3.94Å; L423-V464 HydrophobicContact CB-CG2 3.64Å; V464-N479 HydrophobicContact CG2-CB 3.98Å; V464-N479 PolarHBondContact N-O 3.32Å; V464-N479 PolarHBondContact O-N 3.02Å; V464-N479 VanDerWaalsContact O-O 3.13Å
465A78.6Confident67.5Low14 Ų1441 Ų4112%0.11622%0.224CC..EExtended strand (participates in β ladder)trans-146.4139.2178.500000112.5V477 V478 L503 F505A465-V477 CarbonylContact C-O 3.54Å; A465-V477 WeakPolarHBondContact CA-O 3.41Å; A465-V477 WeakPolarHBondContact CB-O 3.37Å; A465-V478 HydrophobicContact CB-CB 4.43Å; A465-V478 HydrophobicContact CB-CG1 4.46Å; A465-V478 HydrophobicContact CB-CG2 4.01Å; A465-L503 HydrophobicContact CB-CD1 3.82Å; A465-L503 HydrophobicContact CB-CD2 4.08Å; A465-F505 HydrophobicContact CB-CE1 4.26Å; A465-F505 HydrophobicContact CB-CZ 3.82Å
466I76.4Confident70Confident9 Ų934.5 Ų34.55%0.04619%0.194CC..EExtended strand (participates in β ladder)trans-114.3130.6172.1-63.1172.3000108F414 V416 L423 I425 F468 V477F414-I466 HydrophobicContact CB-CD1 4.12Å; V416-I466 HydrophobicContact CB-CD1 4.42Å; V416-I466 HydrophobicContact CB-CG1 4.34Å; V416-I466 HydrophobicContact CG2-CD1 3.82Å; V416-I466 HydrophobicContact CG2-CG1 3.6Å; L423-I466 HydrophobicContact CB-CD1 4.46Å; L423-I466 HydrophobicContact CD2-CB 4.1Å; L423-I466 HydrophobicContact CD2-CD1 4.15Å; L423-I466 HydrophobicContact CD2-CG1 3.93Å; L423-I466 HydrophobicContact CG-CD1 3.97Å; L423-I466 HydrophobicContact CG-CG1 4.3Å; I425-I466 HydrophobicContact CD1-CB 3.85Å; I425-I466 HydrophobicContact CD1-CD1 4.22Å; I425-I466 HydrophobicContact CD1-CG2 3.81Å; I425-I466 HydrophobicContact CG1-CD1 4.14Å; I466-F468 HydrophobicContact CG2-CD1 4.41Å; I466-V477 PolarHBondContact N-O 3.09Å; I466-V477 PolarHBondContact O-N 3.46Å
467R77.6Confident72.5Confident27 Ų2728.3 Ų28.310%0.10215%0.153CC..EExtended strand (participates in β ladder)trans-118.4143172.580114.6-42.4-136.517.7110.7D474 I475 C476 F505 H520R467-D474 IonicContact NH2-OD1 3.87Å; R467-D474 PolarHBondContact NH2-OD1 2.93Å; R467-I475 VanDerWaalsContact CA-O 3.31Å; R467-I475 WeakPolarHBondContact CA-O 3.36Å; R467-C476 HydrophobicContact CB-CB 4.36Å; R467-F505 HydrophobicContact CB-CD1 4.25Å; R467-F505 HydrophobicContact CB-CD2 4.3Å; R467-F505 HydrophobicContact CB-CE1 4.04Å; R467-F505 HydrophobicContact CB-CE2 4.1Å; R467-F505 HydrophobicContact CB-CG 4.36Å; R467-F505 HydrophobicContact CB-CZ 3.96Å; R467-F505 HydrophobicContact CG-CB 4.17Å; R467-F505 HydrophobicContact CG-CD1 3.62Å; R467-F505 HydrophobicContact CG-CD2 4.04Å; R467-F505 HydrophobicContact CG-CE1 3.92Å; R467-F505 HydrophobicContact CG-CE2 4.32Å; R467-F505 HydrophobicContact CG-CG 3.67Å; R467-F505 HydrophobicContact CG-CZ 4.25Å; R467-H520 WeakPolarHBondContact CD-NE2 3.48Å; R467-H520 PolarHBondContact NE-NE2 3.23Å
468F70.1Confident74.7Confident6 Ų624.1 Ų24.13%0.02612%0.124CC..EExtended strand (participates in β ladder)trans-151.2167.7-179.158.7-78.2000110.7F339 I368 I425 F441 V443 I466 F470 I475 V477F339-F468 HydrophobicContact CE1-CZ 4.34Å; I368-F468 HydrophobicContact CD1-CE2 4.47Å; I425-F468 HydrophobicContact CD1-CD1 4.21Å; I425-F468 HydrophobicContact CD1-CE1 3.7Å; F441-F468 HydrophobicContact CE1-CD2 4.05Å; F441-F468 HydrophobicContact CE1-CE2 4.32Å; V443-F468 HydrophobicContact CG1-CB 4.32Å; I466-F468 HydrophobicContact CG2-CD1 4.41Å; F468-F470 HydrophobicContact CD2-CB 4.06Å; F468-F470 HydrophobicContact CE2-CB 3.95Å; F468-I475 HydrophobicContact CD1-CB 4.44Å; F468-I475 HydrophobicContact CE1-CB 4.09Å; F468-I475 HydrophobicContact CE1-CG2 3.91Å; F468-I475 HydrophobicContact CE2-CB 4.2Å; F468-I475 HydrophobicContact CE2-CD1 3.89Å; F468-I475 HydrophobicContact CE2-CG1 4.45Å; F468-I475 HydrophobicContact CZ-CB 3.97Å; F468-I475 HydrophobicContact CZ-CD1 4.08Å; F468-I475 HydrophobicContact CZ-CG2 3.83Å; F468-I475 PolarHBondContact N-O 3.34Å; F468-I475 PolarHBondContact O-N 3.03Å; F468-I475 VanDerWaalsContact O-O 3.13Å; F468-V477 HydrophobicContact CE1-CG2 4.04Å
469R68.7Low76.8Confident95 Ų9518.9 Ų18.936%0.35810%0.1SC..EExtended strand (participates in β ladder)trans-115.2116.2170.3179171.2-70.7172.8-7.3108.2Q442 H471 S473 D474Q442-R469 HydrophobicContact CB-CB 4.4Å; Q442-R469 PolarHBondContact N-O 2.85Å; Q442-R469 PolarHBondContact O-N 3.27Å; R469-H471 VanDerWaalsContact CG-O 3.27Å; R469-H471 WeakPolarHBondContact CG-O 3.46Å; R469-S473 WeakPolarHBondContact CA-O 3.12Å; R469-D474 IonicContact CZ-OD1 2.75Å; R469-D474 IonicContact CZ-OD2 3.42Å; R469-D474 IonicContact NE-OD1 2.81Å; R469-D474 PolarHBondContact NE-OD1 3.05Å; R469-D474 IonicContact NE-OD2 3.21Å; R469-D474 PolarHBondContact NE-OD2 3.37Å; R469-D474 IonicContact NH2-OD1 3.32Å; R469-D474 PolarHBondContact NH2-OD1 2.96Å; R469-D474 IonicContact NH2-OD2 3.64Å; R469-D474 PolarHBondContact NH2-OD2 3.46Å
470F71.5Confident78.7Confident0 Ų018.3 Ų18.30%09%0.094CC..EExtended strand (participates in β ladder)trans-107.3117175.4-177.7-140.2000108D337 F339 I368 Y427 F441 F468 N472 S473 I475 I641D337-F470 HydrophobicContact CB-CE1 4.14Å; D337-F470 WeakPolarHBondContact OD2-CE1 3.33Å; F339-F470 HydrophobicContact CZ-CD1 4.17Å; I368-F470 HydrophobicContact CD1-CD1 3.75Å; I368-F470 HydrophobicContact CD1-CE1 3.72Å; I368-F470 HydrophobicContact CD1-CG 4.34Å; I368-F470 HydrophobicContact CD1-CZ 4.28Å; Y427-F470 HydrophobicContact CE2-CE2 4.11Å; Y427-F470 AromaticContact CE2-CZ 4Å; Y427-F470 HydrophobicContact CE2-CZ 4Å; F441-F470 HydrophobicContact CD1-CD2 4.16Å; F441-F470 AromaticContact CD2-CD2 3.82Å; F441-F470 HydrophobicContact CD2-CD2 3.82Å; F441-F470 AromaticContact CD2-CE2 3.92Å; F441-F470 HydrophobicContact CD2-CE2 3.92Å; F441-F470 HydrophobicContact CE1-CB 4.29Å; F441-F470 AromaticContact CE1-CD2 3.77Å; F441-F470 HydrophobicContact CE1-CD2 3.77Å; F441-F470 HydrophobicContact CE1-CE2 4.5Å; F441-F470 HydrophobicContact CE1-CG 4.26Å; F441-F470 AromaticContact CE2-CD2 3.35Å; F441-F470 HydrophobicContact CE2-CD2 3.35Å; F441-F470 AromaticContact CE2-CE2 3.29Å; F441-F470 HydrophobicContact CE2-CE2 3.29Å; F441-F470 HydrophobicContact CE2-CG 4.43Å; F441-F470 HydrophobicContact CE2-CZ 4.32Å; F441-F470 HydrophobicContact CG-CD2 4.22Å; F441-F470 AromaticContact CZ-CD2 3.35Å; F441-F470 HydrophobicContact CZ-CD2 3.35Å; F441-F470 AromaticContact CZ-CE2 3.66Å; F441-F470 HydrophobicContact CZ-CE2 3.66Å; F441-F470 HydrophobicContact CZ-CG 4.03Å; F468-F470 HydrophobicContact CD2-CB 4.06Å; F468-F470 HydrophobicContact CE2-CB 3.95Å; F470-N472 PolarHBondContact O-N 3.32Å; F470-S473 PolarHBondContact N-O 2.91Å; F470-S473 PolarHBondContact O-N 3.14Å; F470-I475 HydrophobicContact CB-CD1 4.08Å; F470-I641 HydrophobicContact CD1-CB 4.38Å; F470-I641 HydrophobicContact CD1-CD1 3.96Å; F470-I641 HydrophobicContact CD1-CG1 3.77Å; F470-I641 HydrophobicContact CD1-CG2 3.81Å; F470-I641 HydrophobicContact CE1-CB 4.46Å; F470-I641 HydrophobicContact CE1-CG1 3.89Å; F470-I641 HydrophobicContact CE1-CG2 4.14Å; F470-I641 HydrophobicContact CG-CG2 4.32Å
471H74.3Confident80Confident21 Ų2116 Ų1610%0.0978%0.082CC..THydrogen-bonded Turntrans44.2-109.7-160.7-58-91.2000111.7A440 R469 I641 K642 R643A440-H471 PolarHBondContact O-N 2.99Å; R469-H471 VanDerWaalsContact CG-O 3.27Å; R469-H471 WeakPolarHBondContact CG-O 3.46Å; H471-I641 HydrophobicContact CB-CG2 4.03Å; H471-K642 WeakPolarHBondContact CB-O 3.38Å; H471-R643 HydrophobicContact CB-CG 4.21Å; H471-R643 PolarHBondContact NE2-NE 3.46Å
472N71.1Confident80.8Confident50 Ų5014.1 Ų14.127%0.2677%0.074SC..THydrogen-bonded Turntrans-114.820.2178.5-54.5-92.6000113.2Y332 F470 K642 V644Y332-N472 HydrophobicContact CD1-CB 4.2Å; Y332-N472 HydrophobicContact CE1-CB 3.81Å; Y332-N472 VanDerWaalsContact CE1-CG 3.47Å; F470-N472 PolarHBondContact O-N 3.32Å; N472-K642 HydrophobicContact CB-CB 3.86Å; N472-K642 WeakPolarHBondContact CB-O 3.38Å; N472-K642 PolarHBondContact N-O 3.12Å; N472-K642 PolarHBondContact ND2-O 2.6Å; N472-V644 WeakPolarHBondContact ND2-CG2 3.17Å
473S76.1Confident81.4Confident4 Ų413.7 Ų13.73%0.0287%0.069CC..EExtended strand (participates in β ladder)trans-103125.5170.7-69.80000110.3R469 F470 K642R469-S473 WeakPolarHBondContact CA-O 3.12Å; F470-S473 PolarHBondContact N-O 2.91Å; F470-S473 PolarHBondContact O-N 3.14Å; S473-K642 PolarHBondContact OG-N 2.88Å; S473-K642 VanDerWaalsContact OG-N 3.13Å
474D81.1Confident81.7Confident29 Ų2914 Ų1416%0.1557%0.071CC..EExtended strand (participates in β ladder)trans-87120.5170.5-75.8-51.5000110.5R467 R469 N521 V522R467-D474 IonicContact NH2-OD1 3.87Å; R467-D474 PolarHBondContact NH2-OD1 2.93Å; R469-D474 IonicContact CZ-OD1 2.75Å; R469-D474 IonicContact CZ-OD2 3.42Å; R469-D474 IonicContact NE-OD1 2.81Å; R469-D474 PolarHBondContact NE-OD1 3.05Å; R469-D474 IonicContact NE-OD2 3.21Å; R469-D474 PolarHBondContact NE-OD2 3.37Å; R469-D474 IonicContact NH2-OD1 3.32Å; R469-D474 PolarHBondContact NH2-OD1 2.96Å; R469-D474 IonicContact NH2-OD2 3.64Å; R469-D474 PolarHBondContact NH2-OD2 3.46Å; D474-N521 PolarHBondContact N-OD1 3.39Å; D474-N521 PolarHBondContact O-N 2.72Å; D474-V522 PolarHBondContact O-N 3.49Å
475I83.8Confident82.2Confident0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-119.1140-173.2-49.9-175000109.7F339 R467 F468 F470 V477 V522 I641F339-I475 HydrophobicContact CE1-CD1 3.87Å; F339-I475 HydrophobicContact CZ-CD1 3.6Å; R467-I475 VanDerWaalsContact CA-O 3.31Å; R467-I475 WeakPolarHBondContact CA-O 3.36Å; F468-I475 HydrophobicContact CD1-CB 4.44Å; F468-I475 HydrophobicContact CE1-CB 4.09Å; F468-I475 HydrophobicContact CE1-CG2 3.91Å; F468-I475 HydrophobicContact CE2-CB 4.2Å; F468-I475 HydrophobicContact CE2-CD1 3.89Å; F468-I475 HydrophobicContact CE2-CG1 4.45Å; F468-I475 HydrophobicContact CZ-CB 3.97Å; F468-I475 HydrophobicContact CZ-CD1 4.08Å; F468-I475 HydrophobicContact CZ-CG2 3.83Å; F468-I475 PolarHBondContact N-O 3.34Å; F468-I475 PolarHBondContact O-N 3.03Å; F468-I475 VanDerWaalsContact O-O 3.13Å; F470-I475 HydrophobicContact CB-CD1 4.08Å; I475-V477 HydrophobicContact CG2-CG2 4.38Å; I475-V522 WeakPolarHBondContact CA-O 3.2Å; I475-V522 HydrophobicContact CG1-CB 4.25Å; I475-V522 HydrophobicContact CG2-CB 4.24Å; I475-V522 HydrophobicContact CG2-CG1 4.16Å; I475-I641 HydrophobicContact CD1-CD1 3.87Å
476C89Confident82.7Confident0 Ų019.6 Ų19.60%010%0.098CC..EExtended strand (participates in β ladder)trans-127.5132.8169-177.20000109.6R467 H520 V522 V523 L524R467-C476 HydrophobicContact CB-CB 4.36Å; C476-H520 HydrophobicContact CB-CB 4.02Å; C476-V522 PolarHBondContact N-O 3.42Å; C476-V523 CarbonylContact O-C 3.58Å; C476-V523 WeakPolarHBondContact O-CA 3.47Å; C476-L524 PolarHBondContact O-N 3.45Å
477V89.1Confident83.4Confident0 Ų025.1 Ų25.10%012%0.123CC..EExtended strand (participates in β ladder)trans-117.4130.9174.2-175.20000107.9C370 L423 I425 A465 I466 F468 I475 L524C370-V477 HydrophobicContact CB-CG1 4.04Å; L423-V477 HydrophobicContact CD1-CG1 3.87Å; L423-V477 HydrophobicContact CD2-CB 4.14Å; L423-V477 HydrophobicContact CD2-CG1 3.94Å; L423-V477 WeakPolarHBondContact CD2-O 3.39Å; I425-V477 HydrophobicContact CD1-CB 4.03Å; I425-V477 HydrophobicContact CD1-CG2 3.82Å; A465-V477 CarbonylContact C-O 3.54Å; A465-V477 WeakPolarHBondContact CA-O 3.41Å; A465-V477 WeakPolarHBondContact CB-O 3.37Å; I466-V477 PolarHBondContact N-O 3.09Å; I466-V477 PolarHBondContact O-N 3.46Å; F468-V477 HydrophobicContact CE1-CG2 4.04Å; I475-V477 HydrophobicContact CG2-CG2 4.38Å; V477-L524 CarbonylContact C-O 3.54Å; V477-L524 VanDerWaalsContact CA-O 3.3Å; V477-L524 WeakPolarHBondContact CA-O 3.32Å; V477-L524 HydrophobicContact CG2-CB 4.32Å; V477-L524 HydrophobicContact CG2-CD1 4.34Å
478V89.9Confident84.2Confident0 Ų027.8 Ų27.80%014%0.137CC..EExtended strand (participates in β ladder)trans-122.6126.5-178.6-173.70000108.6A463 A465 I517 L524 W525 I526A463-V478 HydrophobicContact CB-CG1 4.41Å; A465-V478 HydrophobicContact CB-CB 4.43Å; A465-V478 HydrophobicContact CB-CG1 4.46Å; A465-V478 HydrophobicContact CB-CG2 4.01Å; V478-I517 HydrophobicContact CG2-CD1 4.02Å; V478-I517 HydrophobicContact CG2-CG1 4.26Å; V478-I517 HydrophobicContact CG2-CG2 3.94Å; V478-L524 PolarHBondContact N-O 3.4Å; V478-W525 HydrophobicContact CB-CD2 3.82Å; V478-W525 HydrophobicContact CB-CE3 4Å; V478-W525 HydrophobicContact CB-CG 4.12Å; V478-W525 HydrophobicContact CG1-CD2 3.88Å; V478-W525 HydrophobicContact CG1-CE3 4.16Å; V478-W525 HydrophobicContact CG1-CG 4.46Å; V478-W525 HydrophobicContact CG1-CH2 4.2Å; V478-W525 HydrophobicContact CG1-CZ2 3.89Å; V478-W525 HydrophobicContact CG1-CZ3 4.31Å; V478-W525 HydrophobicContact CG2-CD2 4.31Å; V478-W525 HydrophobicContact CG2-CE3 3.95Å; V478-W525 HydrophobicContact CG2-CZ3 4.27Å; V478-W525 WeakPolarHBondContact O-CA 3.49Å; V478-I526 WeakPolarHBondContact O-CG1 3.46Å; V478-I526 PolarHBondContact O-N 3.34Å
479N90.7Very high85.3Confident0 Ų030.9 Ų30.90%015%0.149CC..EExtended strand (participates in β ladder)trans-105.6123.6163178.814000108.5G372 F373 Q374 T421 I422 L423 A463 V464 I526G372-N479 WeakPolarHBondContact CA-ND2 3.3Å; F373-N479 PolarHBondContact N-ND2 3.05Å; F373-N479 PolarHBondContact O-ND2 2.89Å; F373-N479 VanDerWaalsContact O-ND2 3.09Å; Q374-N479 PolarHBondContact NE2-ND2 2.69Å; Q374-N479 PolarHBondContact NE2-OD1 2.84Å; T421-N479 HydrophobicContact CG2-CB 4.4Å; T421-N479 VanDerWaalsContact CG2-ND2 3.27Å; T421-N479 WeakPolarHBondContact CG2-ND2 3.38Å; I422-N479 PolarHBondContact O-ND2 3.22Å; L423-N479 HydrophobicContact CB-CB 4.2Å; L423-N479 HydrophobicContact CD1-CB 4.38Å; A463-N479 CarbonylContact C-O 3.45Å; A463-N479 VanDerWaalsContact CA-O 3.25Å; A463-N479 WeakPolarHBondContact CA-O 3.45Å; A463-N479 WeakPolarHBondContact CB-O 3.43Å; V464-N479 HydrophobicContact CG2-CB 3.98Å; V464-N479 PolarHBondContact N-O 3.32Å; V464-N479 PolarHBondContact O-N 3.02Å; V464-N479 VanDerWaalsContact O-O 3.13Å; N479-I526 VanDerWaalsContact CA-O 3.32Å; N479-I526 WeakPolarHBondContact CA-O 3.41Å; N479-I526 HydrophobicContact CB-CD1 4.42Å; N479-I526 HydrophobicContact CB-CG1 4.06Å
480S90.9Very high86.5Confident0 Ų031.3 Ų31.30%016%0.155CC..EExtended strand (participates in β ladder)trans-127.3147177.767.40000113.2G462 W525 I526 G527 D528 L529G462-S480 WeakPolarHBondContact O-CA 3.33Å; S480-W525 PolarHBondContact OG-NE1 3.18Å; S480-I526 PolarHBondContact N-O 3.45Å; S480-G527 WeakPolarHBondContact O-CA 3.48Å; S480-D528 PolarHBondContact O-N 3.03Å; S480-L529 WeakPolarHBondContact OG-CD2 3.38Å
481H90.6Very high87.5Confident0 Ų034.3 Ų34.30%017%0.166CC..EExtended strand (participates in β ladder)trans-126.499.2177.7-178.4-149.9000108.1Q374 E375 N460 K461 G462 D528Q374-H481 HydrophobicContact CB-CB 4.28Å; Q374-H481 HydrophobicContact CG-CB 3.93Å; E375-H481 WeakPolarHBondContact CG-CE1 3.27Å; E375-H481 IonicContact OE1-CE1 3.85Å; E375-H481 PolarHBondContact OE1-CE1 2.92Å; E375-H481 IonicContact OE1-NE2 2.86Å; E375-H481 PolarHBondContact OE1-NE2 2.76Å; N460-H481 PolarHBondContact O-ND1 2.96Å; N460-H481 VanDerWaalsContact O-ND1 3.15Å; K461-H481 CarbonylContact C-O 3.45Å; K461-H481 WeakPolarHBondContact CA-O 3.44Å; K461-H481 VanDerWaalsContact CB-O 3.3Å; K461-H481 WeakPolarHBondContact CB-O 3.48Å; K461-H481 WeakPolarHBondContact CD-CE1 3.38Å; K461-H481 PolarHBondContact NZ-CE1 2.99Å; K461-H481 PolarHBondContact NZ-NE2 3.38Å; G462-H481 PolarHBondContact N-O 2.89Å; G462-H481 PolarHBondContact O-N 3.38Å; H481-D528 WeakPolarHBondContact CA-O 3.5Å; H481-D528 IonicContact CD2-OD2 3.87Å; H481-D528 IonicContact NE2-OD2 3.81Å
482L91.5Very high88.5Confident1 Ų133.3 Ų33.31%0.00516%0.161CC..  trans-91.6170.2-167.2-51.4-176.1000112.9K461 A484 R492 D495 I499 D528 L529 N530 Y531K461-L482 WeakPolarHBondContact CD-O 3.46Å; L482-A484 PolarHBondContact O-N 3.35Å; L482-R492 HydrophobicContact CB-CB 4.43Å; L482-R492 HydrophobicContact CB-CG 3.98Å; L482-R492 HydrophobicContact CD1-CB 4.34Å; L482-D495 HydrophobicContact CD2-CB 3.93Å; L482-I499 HydrophobicContact CD2-CD1 3.8Å; L482-D528 PolarHBondContact N-O 3.12Å; L482-L529 HydrophobicContact CD1-CB 4.14Å; L482-L529 HydrophobicContact CD1-CD2 4.15Å; L482-L529 HydrophobicContact CG-CD2 4.32Å; L482-N530 PolarHBondContact O-ND2 3.11Å; L482-Y531 HydrophobicContact CD1-CE2 3.99Å
483A89.3Confident89.7Confident6 Ų631.4 Ų31.45%0.0515%0.151CC..  trans-51130.1176.100000113.2R491 R492 D495 N530A483-R491 HydrophobicContact CB-CB 4.28Å; A483-R491 HydrophobicContact CB-CG 3.58Å; A483-R492 HydrophobicContact CB-CG 4.22Å; A483-R492 VanDerWaalsContact O-CD 3.28Å; A483-R492 WeakPolarHBondContact O-CD 3.48Å; A483-R492 WeakPolarHBondContact O-CG 3.4Å; A483-R492 PolarHBondContact O-NH1 3.22Å; A483-D495 WeakPolarHBondContact CB-OD2 3.36Å; A483-D495 PolarHBondContact N-OD2 3.11Å; A483-N530 WeakPolarHBondContact O-CB 3.23Å
484A87.9Confident90.4Very high24 Ų2435.2 Ų35.220%0.19817%0.169CC..  trans-83.4-173.7179.100000112.2L482 E488 R492 N530L482-A484 PolarHBondContact O-N 3.35Å; A484-E488 WeakPolarHBondContact O-CB 3.32Å; A484-R492 PolarHBondContact O-NH1 3.31Å; A484-N530 WeakPolarHBondContact CB-OD1 3.45Å
485H87.8Confident90.7Very high93 Ų9334.5 Ų34.543%0.43117%0.165SC..SBendtrans74.4151-175.8-64.5-115.6000114.4E487 E488 R492H485-E487 WeakPolarHBondContact CB-OE2 3.45Å; H485-E488 HydrophobicContact CB-CG 4.31Å; H485-R492 VanDerWaalsContact O-CZ 3.27Å; H485-R492 PolarHBondContact O-NH1 2.89Å; H485-R492 PolarHBondContact O-NH2 2.97Å
486V89.6Confident91.1Very high47 Ų4735.3 Ų35.329%0.28517%0.168SC..SBendtrans-75.8-34-171.355.70000111.4E488 R492 R532 Q558V486-E488 VanDerWaalsContact C-N 3.33Å; V486-E488 PolarHBondContact O-N 3.06Å; V486-R492 PolarHBondContact O-NH2 3.4Å; V486-R532 HydrophobicContact CB-CB 4.09Å; V486-R532 HydrophobicContact CB-CG 4.11Å; V486-R532 HydrophobicContact CG2-CB 3.96Å; V486-R532 HydrophobicContact CG2-CG 4.5Å; V486-Q558 PolarHBondContact O-NE2 3.27Å
487E91.8Very high91.3Very high125 Ų12539.5 Ų39.558%0.58419%0.187SC*.SBendtrans-67.1-31.4-178-54.883.1173.600112.5H485 Y489H485-E487 WeakPolarHBondContact CB-OE2 3.45Å; E487-Y489 VanDerWaalsContact C-N 3.29Å; E487-Y489 PolarHBondContact O-N 2.9Å
488E92.8Very high91.1Very high82 Ų8240.1 Ų40.138%0.38319%0.19SC..THydrogen-bonded Turntrans-84.233.5-168.2-68.9-71.8128.500114.8A484 H485 V486 R491 R492A484-E488 WeakPolarHBondContact O-CB 3.32Å; H485-E488 HydrophobicContact CB-CG 4.31Å; V486-E488 VanDerWaalsContact C-N 3.33Å; V486-E488 PolarHBondContact O-N 3.06Å; E488-R491 HydrophobicContact CB-CB 4.17Å; E488-R491 WeakPolarHBondContact O-CB 3.43Å; E488-R491 PolarHBondContact O-N 2.84Å; E488-R491 WeakPolarHBondContact OE2-CB 3.27Å; E488-R491 WeakPolarHBondContact OE2-CG 3.45Å; E488-R492 PolarHBondContact O-N 2.94Å; E488-R492 PolarHBondContact O-NH1 2.75Å
489Y93.9Very high90.8Very high72 Ų7240.4 Ų40.428%0.28219%0.191SC..Hα-helixtrans-72.7-34.9-176.477.1-94.1000112.8E487 R491 R492 N493 Q562E487-Y489 VanDerWaalsContact C-N 3.29Å; E487-Y489 PolarHBondContact O-N 2.9Å; Y489-R491 PolarHBondContact O-N 3.17Å; Y489-R492 PolarHBondContact O-N 3.34Å; Y489-N493 PolarHBondContact O-N 2.82Å; Y489-N493 PolarHBondContact O-OD1 3.19Å; Y489-Q562 HydrophobicContact CD2-CG 3.96Å
490E94.2Very high90.7Very high103 Ų10341.1 Ų41.148%0.48120%0.196SC..Hα-helixtrans-62.4-31.3169-68.689161.600111.9N493 Q494E490-N493 WeakPolarHBondContact O-CB 3.45Å; E490-N493 PolarHBondContact O-N 3.39Å; E490-Q494 WeakPolarHBondContact O-CB 3.43Å; E490-Q494 PolarHBondContact O-N 2.81Å
491R92Very high90.3Very high64 Ų6444.3 Ų44.324%0.24222%0.218CC..Hα-helixtrans-71.6-40.4175.8177.561.1-155.7-80.6-7.6111.6A483 E488 Y489 N493 Q494 D495A483-R491 HydrophobicContact CB-CB 4.28Å; A483-R491 HydrophobicContact CB-CG 3.58Å; E488-R491 HydrophobicContact CB-CB 4.17Å; E488-R491 WeakPolarHBondContact O-CB 3.43Å; E488-R491 PolarHBondContact O-N 2.84Å; E488-R491 WeakPolarHBondContact OE2-CB 3.27Å; E488-R491 WeakPolarHBondContact OE2-CG 3.45Å; Y489-R491 PolarHBondContact O-N 3.17Å; R491-N493 VanDerWaalsContact C-N 3.31Å; R491-N493 PolarHBondContact O-N 3.44Å; R491-Q494 PolarHBondContact O-N 3.09Å; R491-Q494 VanDerWaalsContact O-N 3.15Å; R491-D495 IonicContact CZ-OD1 3.75Å; R491-D495 IonicContact NE-OD1 2.91Å; R491-D495 PolarHBondContact NE-OD1 3.21Å; R491-D495 IonicContact NE-OD2 2.64Å; R491-D495 IonicContact NH2-OD1 2.72Å; R491-D495 PolarHBondContact NH2-OD1 2.98Å; R491-D495 IonicContact NH2-OD2 3.42Å; R491-D495 PolarHBondContact O-N 3.15Å
492R94.7Very high89.7Confident0 Ų049.2 Ų49.20%024%0.237CC..Hα-helixtrans-60.5-39.7168.8-69.5-178.5-82.8-76.98.6112.2L482 A483 A484 H485 V486 E488 Y489 Q494 D495 F496 L529 Y531L482-R492 HydrophobicContact CB-CB 4.43Å; L482-R492 HydrophobicContact CB-CG 3.98Å; L482-R492 HydrophobicContact CD1-CB 4.34Å; A483-R492 HydrophobicContact CB-CG 4.22Å; A483-R492 VanDerWaalsContact O-CD 3.28Å; A483-R492 WeakPolarHBondContact O-CD 3.48Å; A483-R492 WeakPolarHBondContact O-CG 3.4Å; A483-R492 PolarHBondContact O-NH1 3.22Å; A484-R492 PolarHBondContact O-NH1 3.31Å; H485-R492 VanDerWaalsContact O-CZ 3.27Å; H485-R492 PolarHBondContact O-NH1 2.89Å; H485-R492 PolarHBondContact O-NH2 2.97Å; V486-R492 PolarHBondContact O-NH2 3.4Å; E488-R492 PolarHBondContact O-N 2.94Å; E488-R492 PolarHBondContact O-NH1 2.75Å; Y489-R492 PolarHBondContact O-N 3.34Å; R492-Q494 VanDerWaalsContact C-N 3.28Å; R492-Q494 PolarHBondContact O-N 2.85Å; R492-D495 PolarHBondContact O-N 2.67Å; R492-F496 PolarHBondContact O-N 3.42Å; R492-F496 VanDerWaalsContact O-N 3.07Å; R492-L529 WeakPolarHBondContact CD-O 3.24Å; R492-Y531 HydrophobicContact CB-CD1 4.41Å; R492-Y531 HydrophobicContact CB-CE1 3.7Å; R492-Y531 HydrophobicContact CB-CE2 3.99Å; R492-Y531 VanDerWaalsContact CB-CZ 3.46Å; R492-Y531 WeakPolarHBondContact CB-OH 3.44Å
493N96Very high88.9Confident9 Ų949.6 Ų49.65%0.04824%0.239CC..Hα-helixtrans-60.6-39.5173.9-66.7-14000111.7Y489 E490 R491 K497 Y531 Q562 V568Y489-N493 PolarHBondContact O-N 2.82Å; Y489-N493 PolarHBondContact O-OD1 3.19Å; E490-N493 WeakPolarHBondContact O-CB 3.45Å; E490-N493 PolarHBondContact O-N 3.39Å; R491-N493 VanDerWaalsContact C-N 3.31Å; R491-N493 PolarHBondContact O-N 3.44Å; N493-K497 WeakPolarHBondContact O-CD 3.41Å; N493-K497 VanDerWaalsContact O-CG 3.27Å; N493-K497 WeakPolarHBondContact O-CG 3.33Å; N493-K497 PolarHBondContact O-N 2.96Å; N493-Y531 PolarHBondContact N-OH 2.94Å; N493-Y531 PolarHBondContact OD1-OH 3.33Å; N493-Q562 PolarHBondContact ND2-OE1 3.38Å; N493-V568 HydrophobicContact CB-CG1 3.66Å; N493-V568 WeakPolarHBondContact OD1-CG1 3.1Å
494Q91.8Very high88.3Confident85 Ų8553.3 Ų53.340%0.39726%0.255SS..Hα-helixtrans-73.1-42.1178.4-174.655.13700112.2E490 R491 R492 F496 K497 D498E490-Q494 WeakPolarHBondContact O-CB 3.43Å; E490-Q494 PolarHBondContact O-N 2.81Å; R491-Q494 PolarHBondContact O-N 3.09Å; R491-Q494 VanDerWaalsContact O-N 3.15Å; R492-Q494 VanDerWaalsContact C-N 3.28Å; R492-Q494 PolarHBondContact O-N 2.85Å; Q494-F496 VanDerWaalsContact C-N 3.32Å; Q494-F496 PolarHBondContact O-N 3.12Å; Q494-K497 PolarHBondContact O-N 3.43Å; Q494-K497 VanDerWaalsContact O-N 3.08Å; Q494-D498 VanDerWaalsContact NE2-CG 3.31Å; Q494-D498 PolarHBondContact NE2-OD2 3.44Å; Q494-D498 PolarHBondContact O-N 2.88Å
495D86.8Confident87.5Confident14 Ų1452.3 Ų52.38%0.07525%0.246CC..Hα-helixtrans-55.6-47.1174.4-69.4-23.8000110.6L482 A483 R491 R492 K497 D498 I499L482-D495 HydrophobicContact CD2-CB 3.93Å; A483-D495 WeakPolarHBondContact CB-OD2 3.36Å; A483-D495 PolarHBondContact N-OD2 3.11Å; R491-D495 IonicContact CZ-OD1 3.75Å; R491-D495 IonicContact NE-OD1 2.91Å; R491-D495 PolarHBondContact NE-OD1 3.21Å; R491-D495 IonicContact NE-OD2 2.64Å; R491-D495 IonicContact NH2-OD1 2.72Å; R491-D495 PolarHBondContact NH2-OD1 2.98Å; R491-D495 IonicContact NH2-OD2 3.42Å; R491-D495 PolarHBondContact O-N 3.15Å; R492-D495 PolarHBondContact O-N 2.67Å; D495-K497 PolarHBondContact O-N 2.9Å; D495-D498 PolarHBondContact O-N 2.86Å; D495-I499 WeakPolarHBondContact O-CD1 3.34Å; D495-I499 WeakPolarHBondContact O-CG1 3.42Å; D495-I499 PolarHBondContact O-N 2.83Å
496F92.9Very high86.3Confident17 Ų1757 Ų578%0.07526%0.26CS..Hα-helixtrans-56.5-45.6174.1167.6-98.5000112.6R492 Q494 I499 C500 W525 V568 F569R492-F496 PolarHBondContact O-N 3.42Å; R492-F496 VanDerWaalsContact O-N 3.07Å; Q494-F496 VanDerWaalsContact C-N 3.32Å; Q494-F496 PolarHBondContact O-N 3.12Å; F496-I499 PolarHBondContact O-N 3.11Å; F496-C500 VanDerWaalsContact CE2-SG 3.55Å; F496-C500 WeakPolarHBondContact O-CB 3.11Å; F496-C500 PolarHBondContact O-N 3.33Å; F496-W525 AromaticContact CD2-CH2 3.73Å; F496-W525 HydrophobicContact CD2-CH2 3.73Å; F496-W525 AromaticContact CD2-CZ2 3.9Å; F496-W525 HydrophobicContact CD2-CZ2 3.9Å; F496-W525 HydrophobicContact CD2-CZ3 4.27Å; F496-W525 HydrophobicContact CE2-CE3 4.46Å; F496-W525 AromaticContact CE2-CH2 3.86Å; F496-W525 HydrophobicContact CE2-CH2 3.86Å; F496-W525 HydrophobicContact CE2-CZ2 4.35Å; F496-W525 AromaticContact CE2-CZ3 3.93Å; F496-W525 HydrophobicContact CE2-CZ3 3.93Å; F496-V568 HydrophobicContact CB-CG1 4.47Å; F496-V568 HydrophobicContact CD1-CB 3.89Å; F496-V568 HydrophobicContact CD1-CG1 3.9Å; F496-V568 HydrophobicContact CE1-CB 4.2Å; F496-V568 HydrophobicContact CG-CB 4.4Å; F496-V568 HydrophobicContact CG-CG1 4.39Å; F496-F569 HydrophobicContact CD2-CD1 4.05Å; F496-F569 HydrophobicContact CD2-CD2 4.03Å; F496-F569 AromaticContact CD2-CE1 3.72Å; F496-F569 HydrophobicContact CD2-CE1 3.72Å; F496-F569 AromaticContact CD2-CE2 3.69Å; F496-F569 HydrophobicContact CD2-CE2 3.69Å; F496-F569 HydrophobicContact CD2-CG 4.19Å; F496-F569 AromaticContact CD2-CZ 3.53Å; F496-F569 HydrophobicContact CD2-CZ 3.53Å; F496-F569 AromaticContact CE2-CD1 3.51Å; F496-F569 HydrophobicContact CE2-CD1 3.51Å; F496-F569 HydrophobicContact CE2-CD2 4.11Å; F496-F569 AromaticContact CE2-CE1 3.55Å; F496-F569 HydrophobicContact CE2-CE1 3.55Å; F496-F569 HydrophobicContact CE2-CE2 4.14Å; F496-F569 AromaticContact CE2-CG 3.8Å; F496-F569 HydrophobicContact CE2-CG 3.8Å; F496-F569 AromaticContact CE2-CZ 3.87Å; F496-F569 HydrophobicContact CE2-CZ 3.87Å; F496-F569 HydrophobicContact CG-CD2 4.45Å; F496-F569 HydrophobicContact CG-CE2 4.21Å; F496-F569 HydrophobicContact CG-CZ 4.44Å; F496-F569 HydrophobicContact CZ-CD1 4.2Å; F496-F569 HydrophobicContact CZ-CG 4.18Å
497K92.2Very high84.7Confident88 Ų8857.6 Ų57.638%0.38326%0.26SS..Hα-helixtrans-66-39.4-179.9-72.9164-172.7170.30112.2N493 Q494 D495 S501 A567N493-K497 WeakPolarHBondContact O-CD 3.41Å; N493-K497 VanDerWaalsContact O-CG 3.27Å; N493-K497 WeakPolarHBondContact O-CG 3.33Å; N493-K497 PolarHBondContact O-N 2.96Å; Q494-K497 PolarHBondContact O-N 3.43Å; Q494-K497 VanDerWaalsContact O-N 3.08Å; D495-K497 PolarHBondContact O-N 2.9Å; K497-S501 WeakPolarHBondContact O-CB 3.33Å; K497-S501 PolarHBondContact O-N 3.13Å; K497-S501 PolarHBondContact O-OG 3.38Å; K497-A567 WeakPolarHBondContact CE-O 2.78Å; K497-A567 PolarHBondContact NZ-O 2.86Å
498D85.2Confident82.7Confident13 Ų1355.9 Ų55.97%0.0725%0.254CS..Hα-helixtrans-71.1-38.7176.4-80.3-45.4000112.3L452 F454 Q494 D495 S501 R502L452-D498 HydrophobicContact CD1-CB 3.99Å; F454-D498 HydrophobicContact CE2-CB 4.08Å; F454-D498 HydrophobicContact CZ-CB 4.47Å; Q494-D498 VanDerWaalsContact NE2-CG 3.31Å; Q494-D498 PolarHBondContact NE2-OD2 3.44Å; Q494-D498 PolarHBondContact O-N 2.88Å; D495-D498 PolarHBondContact O-N 2.86Å; D498-S501 PolarHBondContact O-OG 3.08Å; D498-R502 WeakPolarHBondContact O-CB 2.96Å; D498-R502 VanDerWaalsContact O-CG 3.25Å; D498-R502 WeakPolarHBondContact O-CG 3.49Å; D498-R502 PolarHBondContact O-N 3.16Å; D498-R502 IonicContact OD1-CZ 2.71Å; D498-R502 IonicContact OD1-NE 2.71Å; D498-R502 PolarHBondContact OD1-NE 3.45Å; D498-R502 IonicContact OD1-NH2 3.12Å; D498-R502 PolarHBondContact OD1-NH2 2.84Å; D498-R502 IonicContact OD2-NH2 3.35Å
499I84.9Confident80.8Confident6 Ų654.7 Ų54.73%0.03125%0.25CS..Hα-helixtrans-59.9-50.8171.5-65.3158.1000110.2L452 A463 L482 D495 F496 S501 L503 I517 W525L452-I499 HydrophobicContact CD1-CG1 4.17Å; A463-I499 HydrophobicContact CB-CD1 3.67Å; A463-I499 HydrophobicContact CB-CG1 3.92Å; A463-I499 HydrophobicContact CB-CG2 4.06Å; L482-I499 HydrophobicContact CD2-CD1 3.8Å; D495-I499 WeakPolarHBondContact O-CD1 3.34Å; D495-I499 WeakPolarHBondContact O-CG1 3.42Å; D495-I499 PolarHBondContact O-N 2.83Å; F496-I499 PolarHBondContact O-N 3.11Å; I499-S501 VanDerWaalsContact C-N 3.35Å; I499-S501 PolarHBondContact O-N 2.87Å; I499-L503 HydrophobicContact CG2-CD1 4.4Å; I499-L503 WeakPolarHBondContact O-CB 3.5Å; I499-L503 PolarHBondContact O-N 3.14Å; I499-I517 HydrophobicContact CG2-CD1 3.82Å; I499-W525 HydrophobicContact CB-CH2 4.15Å; I499-W525 HydrophobicContact CB-CZ2 4.43Å; I499-W525 HydrophobicContact CD1-CZ2 4.29Å; I499-W525 HydrophobicContact CG2-CH2 3.57Å; I499-W525 HydrophobicContact CG2-CZ2 3.92Å
500C87.6Confident78.9Confident15 Ų1556.9 Ų56.910%0.10127%0.274CS..Hα-helixtrans-63.7-33.5-177.9-82.10000114.7F496F496-C500 VanDerWaalsContact CE2-SG 3.55Å; F496-C500 WeakPolarHBondContact O-CB 3.11Å; F496-C500 PolarHBondContact O-N 3.33Å
501S83.6Confident77.3Confident66 Ų6657.6 Ų57.646%0.46229%0.285SS..Hα-helixtrans-88.8-33.6-176.755.90000113.4K497 D498 I499K497-S501 WeakPolarHBondContact O-CB 3.33Å; K497-S501 PolarHBondContact O-N 3.13Å; K497-S501 PolarHBondContact O-OG 3.38Å; D498-S501 PolarHBondContact O-OG 3.08Å; I499-S501 VanDerWaalsContact C-N 3.35Å; I499-S501 PolarHBondContact O-N 2.87Å
502R77.6Confident75.6Confident103 Ų10359.2 Ų59.239%0.38930%0.295SS..Hα-helixtrans-99.6-30.6-171.9-53.5172.8-173.5-139.86.4113.4L450 L452 D498 Q504L450-R502 WeakPolarHBondContact CD1-O 3.33Å; L450-R502 HydrophobicContact CD2-CB 3.48Å; L450-R502 VanDerWaalsContact CD2-CB 3.48Å; L452-R502 HydrophobicContact CD2-CB 4.41Å; D498-R502 WeakPolarHBondContact O-CB 2.96Å; D498-R502 VanDerWaalsContact O-CG 3.25Å; D498-R502 WeakPolarHBondContact O-CG 3.49Å; D498-R502 PolarHBondContact O-N 3.16Å; D498-R502 IonicContact OD1-CZ 2.71Å; D498-R502 IonicContact OD1-NE 2.71Å; D498-R502 PolarHBondContact OD1-NE 3.45Å; D498-R502 IonicContact OD1-NH2 3.12Å; D498-R502 PolarHBondContact OD1-NH2 2.84Å; D498-R502 IonicContact OD2-NH2 3.35Å; R502-Q504 WeakPolarHBondContact O-CG 3.18Å; R502-Q504 PolarHBondContact O-N 2.77Å; R502-Q504 VanDerWaalsContact O-N 3.08Å
503L74.9Confident74.4Confident9 Ų963.2 Ų63.25%0.04732%0.321CS..  trans-71.6107.1179.5-159.7161.5000110.1A465 I499 F505 I517A465-L503 HydrophobicContact CB-CD1 3.82Å; A465-L503 HydrophobicContact CB-CD2 4.08Å; I499-L503 HydrophobicContact CG2-CD1 4.4Å; I499-L503 WeakPolarHBondContact O-CB 3.5Å; I499-L503 PolarHBondContact O-N 3.14Å; L503-F505 HydrophobicContact CD2-CD1 4.3Å; L503-F505 HydrophobicContact CD2-CD2 4.45Å; L503-F505 HydrophobicContact CD2-CE1 3.65Å; L503-F505 HydrophobicContact CD2-CE2 3.82Å; L503-F505 HydrophobicContact CD2-CZ 3.38Å; L503-I517 HydrophobicContact CB-CD1 4Å; L503-I517 HydrophobicContact CB-CG1 4.47Å; L503-I517 HydrophobicContact CD1-CD1 4.29Å; L503-I517 HydrophobicContact CD2-CD1 4.4Å; L503-I517 HydrophobicContact CD2-CG1 4.2Å; L503-I517 HydrophobicContact CG-CD1 4.45Å
504Q76.8Confident73.1Confident85 Ų8565.5 Ų65.540%0.39734%0.337SS..EExtended strand (participates in β ladder)trans-127.9118-170-74.9-179.725.900111.8S448 R502 P514 T516S448-Q504 WeakPolarHBondContact CB-O 3.49Å; S448-Q504 PolarHBondContact OG-O 3.23Å; R502-Q504 WeakPolarHBondContact O-CG 3.18Å; R502-Q504 PolarHBondContact O-N 2.77Å; R502-Q504 VanDerWaalsContact O-N 3.08Å; Q504-P514 HydrophobicContact CB-CB 3.85Å; Q504-P514 HydrophobicContact CG-CB 4.27Å; Q504-T516 HydrophobicContact CG-CG2 3.92Å
505F70.5Confident72.4Confident2 Ų263.2 Ų63.21%0.00933%0.327CS..EExtended strand (participates in β ladder)trans-80.6127.6177.9-54.7-74.3000111.5S448 A465 R467 L503 Q507 L515 I517 H520S448-F505 VanDerWaalsContact OG-CA 3.32Å; S448-F505 WeakPolarHBondContact OG-CA 3.49Å; A465-F505 HydrophobicContact CB-CE1 4.26Å; A465-F505 HydrophobicContact CB-CZ 3.82Å; R467-F505 HydrophobicContact CB-CD1 4.25Å; R467-F505 HydrophobicContact CB-CD2 4.3Å; R467-F505 HydrophobicContact CB-CE1 4.04Å; R467-F505 HydrophobicContact CB-CE2 4.1Å; R467-F505 HydrophobicContact CB-CG 4.36Å; R467-F505 HydrophobicContact CB-CZ 3.96Å; R467-F505 HydrophobicContact CG-CB 4.17Å; R467-F505 HydrophobicContact CG-CD1 3.62Å; R467-F505 HydrophobicContact CG-CD2 4.04Å; R467-F505 HydrophobicContact CG-CE1 3.92Å; R467-F505 HydrophobicContact CG-CE2 4.32Å; R467-F505 HydrophobicContact CG-CG 3.67Å; R467-F505 HydrophobicContact CG-CZ 4.25Å; L503-F505 HydrophobicContact CD2-CD1 4.3Å; L503-F505 HydrophobicContact CD2-CD2 4.45Å; L503-F505 HydrophobicContact CD2-CE1 3.65Å; L503-F505 HydrophobicContact CD2-CE2 3.82Å; L503-F505 HydrophobicContact CD2-CZ 3.38Å; F505-Q507 PolarHBondContact O-N 2.98Å; F505-L515 HydrophobicContact CB-CB 4.36Å; F505-L515 VanDerWaalsContact CD2-O 3.28Å; F505-L515 WeakPolarHBondContact CD2-O 3.06Å; F505-L515 PolarHBondContact N-O 2.96Å; F505-L515 PolarHBondContact O-N 2.87Å; F505-I517 HydrophobicContact CE2-CG1 4.21Å; F505-H520 AromaticContact CD2-CE1 3.69Å; F505-H520 AromaticContact CE2-CE1 3.73Å
506R63.5Low72.3Confident192 Ų19264 Ų6473%0.72533%0.333SS*.PPolyproline II helixtrans-61.6129.6173.7-69.9179.9178.1175.10.3110.3K446 S448K446-R506 HydrophobicContact CD-CB 4.14Å; K446-R506 WeakPolarHBondContact CD-O 3.34Å; S448-R506 PolarHBondContact OG-N 2.85Å
507Q54.5Low71.9Confident59 Ų5963.2 Ų63.228%0.27633%0.329SS..PPolyproline II helixtrans-76166.9174.8-65.4-118.125.500111.5K446 F505 D509 Q512 P513K446-Q507 PolarHBondContact NZ-O 3.29Å; F505-Q507 PolarHBondContact O-N 2.98Å; Q507-D509 WeakPolarHBondContact CB-O 3.23Å; Q507-Q512 HydrophobicContact CG-CB 4.39Å; Q507-P513 WeakPolarHBondContact CG-O 3.36Å; Q507-P513 PolarHBondContact NE2-O 3.4Å
508L50.8Low71.8Confident90 Ų9063 Ų6347%0.47133%0.332SS..SBendtrans-79.2-40.2169.9-76.9162.6000111.6T288 T444T288-L508 HydrophobicContact CG2-CD2 4.31Å; T444-L508 HydrophobicContact CG2-CD1 4.11Å; T444-L508 HydrophobicContact CG2-CD2 4.27Å; T444-L508 HydrophobicContact CG2-CG 4.08Å
509D52.7Low71.9Confident56 Ų5667.9 Ų67.930%0.29935%0.352SS..SBendtrans-82.6117.6170.7179.9-10.5000109.5Q507 T511 Q512Q507-D509 WeakPolarHBondContact CB-O 3.23Å; D509-T511 VanDerWaalsContact CG-OG1 3.26Å; D509-T511 PolarHBondContact O-N 3.1Å; D509-T511 WeakPolarHBondContact OD1-CB 3.42Å; D509-T511 PolarHBondContact OD1-N 3.34Å; D509-T511 PolarHBondContact OD1-OG1 2.95Å; D509-T511 PolarHBondContact OD2-OG1 3.17Å; D509-Q512 HydrophobicContact CB-CB 4.45Å; D509-Q512 HydrophobicContact CB-CG 4.21Å; D509-Q512 PolarHBondContact O-N 2.89Å; D509-Q512 WeakPolarHBondContact OD2-CG 3.18Å; D509-Q512 PolarHBondContact OD2-NE2 3.24Å
510P54.4Low72.1Confident119 Ų11968.3 Ų68.377%0.77335%0.354SS*.THydrogen-bonded Turntrans-74.4-8.9-179.832.1-36000113.6
511T59.7Low72Confident118 Ų11871 Ų7172%0.72437%0.367SS*.THydrogen-bonded Turntrans-82.6-15.9174.773.60000112.7D509D509-T511 VanDerWaalsContact CG-OG1 3.26Å; D509-T511 PolarHBondContact O-N 3.1Å; D509-T511 WeakPolarHBondContact OD1-CB 3.42Å; D509-T511 PolarHBondContact OD1-N 3.34Å; D509-T511 PolarHBondContact OD1-OG1 2.95Å; D509-T511 PolarHBondContact OD2-OG1 3.17Å
512Q57.5Low72.5Confident97 Ų9768 Ų6845%0.45335%0.347SS..SBendtrans-93.1142-178.2-70.2-176.85400112.3Q507 D509Q507-Q512 HydrophobicContact CG-CB 4.39Å; D509-Q512 HydrophobicContact CB-CB 4.45Å; D509-Q512 HydrophobicContact CB-CG 4.21Å; D509-Q512 PolarHBondContact O-N 2.89Å; D509-Q512 WeakPolarHBondContact OD2-CG 3.18Å; D509-Q512 PolarHBondContact OD2-NE2 3.24Å
513P69.3Low73.3Confident84 Ų8463.2 Ų63.255%0.54533%0.329SS..PPolyproline II helixtrans-65.8146.6-178.827.8-35.4000111.3Q507Q507-P513 WeakPolarHBondContact CG-O 3.36Å; Q507-P513 PolarHBondContact NE2-O 3.4Å
514P68.4Low74.4Confident58 Ų5862.8 Ų62.838%0.37733%0.327SS..PPolyproline II helixtrans-50.9145.5177.8-27.935000113.8Q504Q504-P514 HydrophobicContact CB-CB 3.85Å; Q504-P514 HydrophobicContact CG-CB 4.27Å
515L76.1Confident75.4Confident36 Ų3658.8 Ų58.819%0.18831%0.308CS..EExtended strand (participates in β ladder)trans-89122-177.9-162.572.9000108.9F505 K519 H520F505-L515 HydrophobicContact CB-CB 4.36Å; F505-L515 VanDerWaalsContact CD2-O 3.28Å; F505-L515 WeakPolarHBondContact CD2-O 3.06Å; F505-L515 PolarHBondContact N-O 2.96Å; F505-L515 PolarHBondContact O-N 2.87Å; L515-K519 HydrophobicContact CD1-CB 3.63Å; L515-K519 HydrophobicContact CD1-CD 3.83Å; L515-K519 HydrophobicContact CD1-CG 4.4Å; L515-K519 HydrophobicContact CG-CB 4.15Å; L515-H520 WeakPolarHBondContact CD2-NE2 3.5Å
516T84.6Confident76.7Confident32 Ų3258.7 Ų58.720%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-89161.1174.848.50000110.9Q504 L518 K519 H520Q504-T516 HydrophobicContact CG-CG2 3.92Å; T516-L518 VanDerWaalsContact C-N 3.29Å; T516-L518 PolarHBondContact O-N 3.18Å; T516-K519 PolarHBondContact O-N 3.34Å; T516-K519 VanDerWaalsContact O-N 3.09Å; T516-H520 PolarHBondContact O-ND1 3.37Å
517I85.8Confident78.2Confident0 Ų049.5 Ų49.50%027%0.273CS..G310 helixtrans-45.6-52.7179.1-64.9165.3000111.3V478 I499 L503 F505 K519 H520 V523 W525V478-I517 HydrophobicContact CG2-CD1 4.02Å; V478-I517 HydrophobicContact CG2-CG1 4.26Å; V478-I517 HydrophobicContact CG2-CG2 3.94Å; I499-I517 HydrophobicContact CG2-CD1 3.82Å; L503-I517 HydrophobicContact CB-CD1 4Å; L503-I517 HydrophobicContact CB-CG1 4.47Å; L503-I517 HydrophobicContact CD1-CD1 4.29Å; L503-I517 HydrophobicContact CD2-CD1 4.4Å; L503-I517 HydrophobicContact CD2-CG1 4.2Å; L503-I517 HydrophobicContact CG-CD1 4.45Å; F505-I517 HydrophobicContact CE2-CG1 4.21Å; I517-K519 PolarHBondContact O-N 3.06Å; I517-K519 VanDerWaalsContact O-N 3.07Å; I517-H520 PolarHBondContact O-N 2.8Å; I517-H520 PolarHBondContact O-ND1 2.82Å; I517-V523 HydrophobicContact CG2-CG1 3.57Å; I517-V523 HydrophobicContact CG2-CG2 4.25Å; I517-V523 WeakPolarHBondContact O-CG2 3.44Å; I517-W525 HydrophobicContact CD1-CH2 4.39Å; I517-W525 HydrophobicContact CD1-CZ3 4.16Å; I517-W525 HydrophobicContact CG2-CZ3 4.21Å
518L89.7Confident80.3Confident83 Ų8346.8 Ų46.844%0.43526%0.26SS..G310 helixtrans-71.90-173.2-56.3179.5000115.5T516 F572T516-L518 VanDerWaalsContact C-N 3.29Å; T516-L518 PolarHBondContact O-N 3.18Å; L518-F572 HydrophobicContact CD2-CE2 3.85Å; L518-F572 HydrophobicContact CD2-CZ 4.06Å
519K87.9Confident82.5Confident115 Ų11542.5 Ų42.550%0.524%0.238SC..G310 helixtrans-89.8-4.2174.3-70.7-179.6-178.5175.30114.1L515 T516 I517L515-K519 HydrophobicContact CD1-CB 3.63Å; L515-K519 HydrophobicContact CD1-CD 3.83Å; L515-K519 HydrophobicContact CD1-CG 4.4Å; L515-K519 HydrophobicContact CG-CB 4.15Å; T516-K519 PolarHBondContact O-N 3.34Å; T516-K519 VanDerWaalsContact O-N 3.09Å; I517-K519 PolarHBondContact O-N 3.06Å; I517-K519 VanDerWaalsContact O-N 3.07Å
520H87.2Confident84.6Confident16 Ų1640 Ų407%0.07422%0.224CC..SBendtrans-78.7161178.4-64.181.4000111.9R467 C476 F505 L515 T516 I517 V523R467-H520 WeakPolarHBondContact CD-NE2 3.48Å; R467-H520 PolarHBondContact NE-NE2 3.23Å; C476-H520 HydrophobicContact CB-CB 4.02Å; F505-H520 AromaticContact CD2-CE1 3.69Å; F505-H520 AromaticContact CE2-CE1 3.73Å; L515-H520 WeakPolarHBondContact CD2-NE2 3.5Å; T516-H520 PolarHBondContact O-ND1 3.37Å; I517-H520 PolarHBondContact O-N 2.8Å; I517-H520 PolarHBondContact O-ND1 2.82Å; H520-V523 HydrophobicContact CB-CG2 4.15Å
521N86.4Confident86.6Confident70 Ų7034.4 Ų34.437%0.37419%0.188SC..SBendtrans-77.7-30.7177.3-53.6145000112.2D474 G611D474-N521 PolarHBondContact N-OD1 3.39Å; D474-N521 PolarHBondContact O-N 2.72Å; N521-G611 WeakPolarHBondContact O-CA 3.4Å
522V93.4Very high88.4Confident4 Ų429.4 Ų29.42%0.02416%0.156CC..EExtended strand (participates in β ladder)trans-130.1125.1175.5177.20000107.5D474 I475 C476 L524 K610 I614 I639D474-V522 PolarHBondContact O-N 3.49Å; I475-V522 WeakPolarHBondContact CA-O 3.2Å; I475-V522 HydrophobicContact CG1-CB 4.25Å; I475-V522 HydrophobicContact CG2-CB 4.24Å; I475-V522 HydrophobicContact CG2-CG1 4.16Å; C476-V522 PolarHBondContact N-O 3.42Å; V522-L524 HydrophobicContact CG1-CD1 4.37Å; V522-L524 HydrophobicContact CG1-CD2 3.56Å; V522-L524 HydrophobicContact CG1-CG 3.85Å; V522-K610 WeakPolarHBondContact CA-O 3.31Å; V522-I614 HydrophobicContact CG1-CD1 4Å; V522-I614 HydrophobicContact CG2-CD1 4.32Å; V522-I639 HydrophobicContact CG1-CD1 4.19Å; V522-I639 HydrophobicContact CG2-CG2 4.14Å
523V96.3Very high90.3Very high3 Ų324.9 Ų24.92%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-118.7122.3168.9-175.80000107.8C476 I517 H520 F572 W609 K610C476-V523 CarbonylContact O-C 3.58Å; C476-V523 WeakPolarHBondContact O-CA 3.47Å; I517-V523 HydrophobicContact CG2-CG1 3.57Å; I517-V523 HydrophobicContact CG2-CG2 4.25Å; I517-V523 WeakPolarHBondContact O-CG2 3.44Å; H520-V523 HydrophobicContact CB-CG2 4.15Å; V523-F572 HydrophobicContact CB-CE1 4.25Å; V523-F572 HydrophobicContact CB-CZ 4.28Å; V523-F572 HydrophobicContact CG1-CE1 3.87Å; V523-F572 HydrophobicContact CG1-CZ 3.83Å; V523-W609 CarbonylContact O-C 3.48Å; V523-W609 WeakPolarHBondContact O-CA 3.35Å; V523-K610 HydrophobicContact CB-CB 4.36Å; V523-K610 PolarHBondContact N-O 2.85Å; V523-K610 PolarHBondContact O-N 2.73Å
524L97.1Very high91.3Very high0 Ų021.6 Ų21.60%011%0.114CC..EExtended strand (participates in β ladder)trans-111.1125.9175.2-49.4179.7000106.8F339 L341 C476 V477 V478 V522 W609 L637 I639F339-L524 HydrophobicContact CD1-CD1 3.9Å; F339-L524 HydrophobicContact CE1-CD1 4.43Å; L341-L524 HydrophobicContact CD1-CB 4.06Å; L341-L524 HydrophobicContact CD1-CD1 4.41Å; L341-L524 HydrophobicContact CD1-CD2 4.4Å; L341-L524 HydrophobicContact CD1-CG 4.5Å; L341-L524 HydrophobicContact CD2-CB 4.13Å; L341-L524 HydrophobicContact CD2-CD1 3.82Å; C476-L524 PolarHBondContact O-N 3.45Å; V477-L524 CarbonylContact C-O 3.54Å; V477-L524 VanDerWaalsContact CA-O 3.3Å; V477-L524 WeakPolarHBondContact CA-O 3.32Å; V477-L524 HydrophobicContact CG2-CB 4.32Å; V477-L524 HydrophobicContact CG2-CD1 4.34Å; V478-L524 PolarHBondContact N-O 3.4Å; V522-L524 HydrophobicContact CG1-CD1 4.37Å; V522-L524 HydrophobicContact CG1-CD2 3.56Å; V522-L524 HydrophobicContact CG1-CG 3.85Å; L524-W609 HydrophobicContact CD2-CB 3.78Å; L524-L637 HydrophobicContact CD2-CD1 3.9Å; L524-I639 HydrophobicContact CD1-CD1 4.07Å; L524-I639 HydrophobicContact CD2-CD1 4.1Å
525W97.7Very high92.3Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-125.6123.2-175.6-159.9-57.6000109.1V478 S480 F496 I499 I517 F569 F572 L608V478-W525 HydrophobicContact CB-CD2 3.82Å; V478-W525 HydrophobicContact CB-CE3 4Å; V478-W525 HydrophobicContact CB-CG 4.12Å; V478-W525 HydrophobicContact CG1-CD2 3.88Å; V478-W525 HydrophobicContact CG1-CE3 4.16Å; V478-W525 HydrophobicContact CG1-CG 4.46Å; V478-W525 HydrophobicContact CG1-CH2 4.2Å; V478-W525 HydrophobicContact CG1-CZ2 3.89Å; V478-W525 HydrophobicContact CG1-CZ3 4.31Å; V478-W525 HydrophobicContact CG2-CD2 4.31Å; V478-W525 HydrophobicContact CG2-CE3 3.95Å; V478-W525 HydrophobicContact CG2-CZ3 4.27Å; V478-W525 WeakPolarHBondContact O-CA 3.49Å; S480-W525 PolarHBondContact OG-NE1 3.18Å; F496-W525 AromaticContact CD2-CH2 3.73Å; F496-W525 HydrophobicContact CD2-CH2 3.73Å; F496-W525 AromaticContact CD2-CZ2 3.9Å; F496-W525 HydrophobicContact CD2-CZ2 3.9Å; F496-W525 HydrophobicContact CD2-CZ3 4.27Å; F496-W525 HydrophobicContact CE2-CE3 4.46Å; F496-W525 AromaticContact CE2-CH2 3.86Å; F496-W525 HydrophobicContact CE2-CH2 3.86Å; F496-W525 HydrophobicContact CE2-CZ2 4.35Å; F496-W525 AromaticContact CE2-CZ3 3.93Å; F496-W525 HydrophobicContact CE2-CZ3 3.93Å; I499-W525 HydrophobicContact CB-CH2 4.15Å; I499-W525 HydrophobicContact CB-CZ2 4.43Å; I499-W525 HydrophobicContact CD1-CZ2 4.29Å; I499-W525 HydrophobicContact CG2-CH2 3.57Å; I499-W525 HydrophobicContact CG2-CZ2 3.92Å; I517-W525 HydrophobicContact CD1-CH2 4.39Å; I517-W525 HydrophobicContact CD1-CZ3 4.16Å; I517-W525 HydrophobicContact CG2-CZ3 4.21Å; W525-F569 HydrophobicContact CB-CE1 4.32Å; W525-F569 AromaticContact CD1-CE1 3.91Å; W525-F569 AromaticContact CD2-CE1 3.67Å; W525-F569 HydrophobicContact CD2-CE1 3.67Å; W525-F569 HydrophobicContact CD2-CZ 4.27Å; W525-F569 AromaticContact CE2-CE1 3.84Å; W525-F569 AromaticContact CE2-CZ 3.97Å; W525-F569 HydrophobicContact CE3-CE1 4.16Å; W525-F569 AromaticContact CG-CE1 3.73Å; W525-F569 HydrophobicContact CG-CE1 3.73Å; W525-F569 HydrophobicContact CG-CZ 4.36Å; W525-F569 HydrophobicContact CZ2-CE1 4.45Å; W525-F569 HydrophobicContact CZ2-CZ 4.42Å; W525-F569 AromaticContact NE1-CE1 3.99Å; W525-F569 AromaticContact NE1-CZ 3.88Å; W525-F572 HydrophobicContact CB-CE1 3.98Å; W525-F572 HydrophobicContact CE3-CE1 4.27Å; W525-F572 AromaticContact CE3-CZ 3.99Å; W525-F572 HydrophobicContact CE3-CZ 3.99Å; W525-L608 PolarHBondContact N-O 3.19Å; W525-L608 PolarHBondContact O-N 3.29Å; W525-L608 VanDerWaalsContact O-O 3.1Å
526I97.6Very high93.1Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-129.2159.9-177.259.6173.8000109.5L341 G342 L423 V478 N479 S480 R606 I607L341-I526 HydrophobicContact CB-CG2 4.14Å; L341-I526 HydrophobicContact CD1-CG2 4.3Å; G342-I526 WeakPolarHBondContact O-CD1 3.5Å; L423-I526 HydrophobicContact CD1-CD1 4.1Å; V478-I526 WeakPolarHBondContact O-CG1 3.46Å; V478-I526 PolarHBondContact O-N 3.34Å; N479-I526 VanDerWaalsContact CA-O 3.32Å; N479-I526 WeakPolarHBondContact CA-O 3.41Å; N479-I526 HydrophobicContact CB-CD1 4.42Å; N479-I526 HydrophobicContact CB-CG1 4.06Å; S480-I526 PolarHBondContact N-O 3.45Å; I526-R606 WeakPolarHBondContact CA-O 3.15Å; I526-I607 HydrophobicContact CG2-CB 4.39Å; I526-I607 HydrophobicContact CG2-CG1 4.02Å; I526-I607 HydrophobicContact CG2-CG2 4.04Å
527G96.1Very high93.4Very high0 Ų027.4 Ų27.40%014%0.14CC..EExtended strand (participates in β ladder)trans146-178.9163.700000115.2T343 S480 L529 D605 R606T343-G527 WeakPolarHBondContact OG1-CA 3.4Å; S480-G527 WeakPolarHBondContact O-CA 3.48Å; G527-L529 PolarHBondContact O-N 3.4Å; G527-L529 VanDerWaalsContact O-N 3.14Å; G527-D605 WeakPolarHBondContact O-CA 3.23Å; G527-R606 PolarHBondContact N-O 2.85Å; G527-R606 VanDerWaalsContact N-O 3.1Å; G527-R606 PolarHBondContact O-N 3.26Å
528D96.9Very high93.7Very high2 Ų229.1 Ų29.11%0.01115%0.151CC..EExtended strand (participates in β ladder)trans-77.390.9162.8176.85.9000108.7N345 Q374 S480 H481 L482 N530 C604 H630N345-D528 HydrophobicContact CB-CB 4.36Å; N345-D528 PolarHBondContact ND2-OD2 3.15Å; Q374-D528 HydrophobicContact CB-CB 4.5Å; Q374-D528 HydrophobicContact CG-CB 4.13Å; S480-D528 PolarHBondContact O-N 3.03Å; H481-D528 WeakPolarHBondContact CA-O 3.5Å; H481-D528 IonicContact CD2-OD2 3.87Å; H481-D528 IonicContact NE2-OD2 3.81Å; L482-D528 PolarHBondContact N-O 3.12Å; D528-N530 PolarHBondContact O-N 3.31Å; D528-N530 VanDerWaalsContact OD1-CA 3.3Å; D528-N530 WeakPolarHBondContact OD1-CA 3.42Å; D528-N530 PolarHBondContact OD1-N 3.41Å; D528-N530 PolarHBondContact OD1-ND2 3.31Å; D528-N530 PolarHBondContact OD2-ND2 2.93Å; D528-C604 CarbonylContact C-O 3.31Å; D528-C604 WeakPolarHBondContact OD1-CB 3.4Å; D528-H630 IonicContact OD2-CE1 3.24Å; D528-H630 PolarHBondContact OD2-CE1 3.02Å; D528-H630 IonicContact OD2-NE2 2.79Å
529L97.3Very high93.8Very high0 Ų030.6 Ų30.60%016%0.159CC..  trans-77.6-5.5177.7-53.1-167000112S480 L482 R492 G527 Y531 L559 F569 C604 R606 L608S480-L529 WeakPolarHBondContact OG-CD2 3.38Å; L482-L529 HydrophobicContact CD1-CB 4.14Å; L482-L529 HydrophobicContact CD1-CD2 4.15Å; L482-L529 HydrophobicContact CG-CD2 4.32Å; R492-L529 WeakPolarHBondContact CD-O 3.24Å; G527-L529 PolarHBondContact O-N 3.4Å; G527-L529 VanDerWaalsContact O-N 3.14Å; L529-Y531 HydrophobicContact CB-CD2 3.85Å; L529-Y531 HydrophobicContact CB-CE2 4.18Å; L529-Y531 WeakPolarHBondContact O-CD2 3.35Å; L529-Y531 PolarHBondContact O-N 3.5Å; L529-L559 HydrophobicContact CD1-CD2 3.88Å; L529-F569 HydrophobicContact CD1-CE2 4.13Å; L529-F569 HydrophobicContact CD1-CZ 3.86Å; L529-C604 PolarHBondContact N-O 2.88Å; L529-R606 HydrophobicContact CD1-CB 3.8Å; L529-R606 HydrophobicContact CD1-CG 4.4Å; L529-R606 HydrophobicContact CG-CB 4.03Å; L529-R606 HydrophobicContact CG-CG 4.47Å; L529-L608 HydrophobicContact CD1-CD1 3.58Å
530N96.8Very high94.2Very high4 Ų429.9 Ų29.92%0.02115%0.153CC..  trans56.66.9170.8-103.5-68.4000117.5L482 A483 A484 D528 R532 C604L482-N530 PolarHBondContact O-ND2 3.11Å; A483-N530 WeakPolarHBondContact O-CB 3.23Å; A484-N530 WeakPolarHBondContact CB-OD1 3.45Å; D528-N530 PolarHBondContact O-N 3.31Å; D528-N530 VanDerWaalsContact OD1-CA 3.3Å; D528-N530 WeakPolarHBondContact OD1-CA 3.42Å; D528-N530 PolarHBondContact OD1-N 3.41Å; D528-N530 PolarHBondContact OD1-ND2 3.31Å; D528-N530 PolarHBondContact OD2-ND2 2.93Å; N530-R532 VanDerWaalsContact O-CD 3.27Å; N530-R532 WeakPolarHBondContact O-CD 3.21Å; N530-R532 WeakPolarHBondContact O-CG 3.44Å; N530-R532 PolarHBondContact O-NE 3.19Å; N530-R532 PolarHBondContact OD1-NH2 2.97Å; N530-C604 PolarHBondContact N-O 2.89Å
531Y97.8Very high94.6Very high1 Ų129.1 Ų29.10%0.00415%0.149CC..  trans-64.9144.8172.2-69.3-85.5000110.9L482 R492 N493 L529 Q558 L559 Q562L482-Y531 HydrophobicContact CD1-CE2 3.99Å; R492-Y531 HydrophobicContact CB-CD1 4.41Å; R492-Y531 HydrophobicContact CB-CE1 3.7Å; R492-Y531 HydrophobicContact CB-CE2 3.99Å; R492-Y531 VanDerWaalsContact CB-CZ 3.46Å; R492-Y531 WeakPolarHBondContact CB-OH 3.44Å; N493-Y531 PolarHBondContact N-OH 2.94Å; N493-Y531 PolarHBondContact OD1-OH 3.33Å; L529-Y531 HydrophobicContact CB-CD2 3.85Å; L529-Y531 HydrophobicContact CB-CE2 4.18Å; L529-Y531 WeakPolarHBondContact O-CD2 3.35Å; L529-Y531 PolarHBondContact O-N 3.5Å; Y531-Q558 HydrophobicContact CD1-CB 3.8Å; Y531-Q558 HydrophobicContact CG-CB 4.43Å; Y531-L559 HydrophobicContact CD1-CB 4.35Å; Y531-L559 HydrophobicContact CD2-CB 3.83Å; Y531-L559 HydrophobicContact CD2-CD1 3.87Å; Y531-L559 HydrophobicContact CD2-CD2 4.42Å; Y531-L559 HydrophobicContact CD2-CG 4.25Å; Y531-L559 HydrophobicContact CE2-CD1 3.73Å; Y531-L559 HydrophobicContact CG-CB 3.73Å; Y531-L559 HydrophobicContact CG-CD1 4.45Å; Y531-Q562 HydrophobicContact CE1-CG 4.33Å
532R97.1Very high95Very high13 Ų1328.4 Ų28.45%0.04914%0.143CC..  trans-121168.2-168.7-52.6-54.8178.4105.2-15.7111.8V486 N530 Q558 A602V486-R532 HydrophobicContact CB-CB 4.09Å; V486-R532 HydrophobicContact CB-CG 4.11Å; V486-R532 HydrophobicContact CG2-CB 3.96Å; V486-R532 HydrophobicContact CG2-CG 4.5Å; N530-R532 VanDerWaalsContact O-CD 3.27Å; N530-R532 WeakPolarHBondContact O-CD 3.21Å; N530-R532 WeakPolarHBondContact O-CG 3.44Å; N530-R532 PolarHBondContact O-NE 3.19Å; N530-R532 PolarHBondContact OD1-NH2 2.97Å; R532-Q558 VanDerWaalsContact N-OE1 3.08Å; R532-Q558 WeakPolarHBondContact O-CB 3.4Å; R532-Q558 WeakPolarHBondContact O-CG 3.31Å; R532-Q558 PolarHBondContact O-N 2.95Å; R532-A602 HydrophobicContact CB-CB 4.41Å
533I96.4Very high95.1Very high2 Ų231.3 Ų31.31%0.0116%0.159CC..BIsolated β-bridgetrans-70.7141.8161.7-54.7-56.9000108.6L536 V541 L553 D557 I600 P601 W603I533-L536 HydrophobicContact CG2-CB 4.24Å; I533-L536 HydrophobicContact CG2-CD1 4.05Å; I533-L536 HydrophobicContact CG2-CG 4.43Å; I533-V541 HydrophobicContact CB-CG2 4.5Å; I533-V541 HydrophobicContact CG2-CG2 3.83Å; I533-L553 HydrophobicContact CD1-CD1 3.99Å; I533-L553 HydrophobicContact CD1-CG 4.05Å; I533-L553 HydrophobicContact CG1-CD1 4.07Å; I533-L553 HydrophobicContact CG2-CD1 3.94Å; I533-D557 HydrophobicContact CD1-CB 4.25Å; I533-I600 HydrophobicContact CB-CG2 4.32Å; I533-P601 VanDerWaalsContact CG1-O 3.3Å; I533-P601 WeakPolarHBondContact CG1-O 3.49Å; I533-W603 HydrophobicContact CD1-CE3 3.88Å; I533-W603 HydrophobicContact CD1-CZ3 3.83Å
534S89.9Confident95.1Very high15 Ų1531.3 Ų31.311%0.10516%0.158CC..  trans-123.9161.3179.241.90000111L536 Y556 R561S534-L536 PolarHBondContact O-N 3.4Å; S534-Y556 PolarHBondContact N-O 3.25Å; S534-Y556 WeakPolarHBondContact O-CB 3.5Å; S534-Y556 VanDerWaalsContact O-CD1 3.3Å; S534-Y556 WeakPolarHBondContact O-CD1 3.24Å; S534-Y556 PolarHBondContact OG-O 2.98Å; S534-R561 PolarHBondContact OG-NH1 3.39Å
535D90.1Very high95.1Very high124 Ų12431.8 Ų31.866%0.66316%0.161SC*.SBendtrans56.98.3176.2-34.4-38.6000117.7Y556 R561D535-Y556 HydrophobicContact CB-CD1 4.06Å; D535-Y556 HydrophobicContact CB-CE1 4.21Å; D535-R561 IonicContact OD2-CZ 2.76Å; D535-R561 VanDerWaalsContact OD2-CZ 3.26Å; D535-R561 IonicContact OD2-NH1 3.23Å; D535-R561 PolarHBondContact OD2-NH1 3.46Å; D535-R561 IonicContact OD2-NH2 2.83Å; D535-R561 PolarHBondContact OD2-NH2 2.92Å
536L93Very high94.9Very high29 Ų2935.7 Ų35.715%0.15219%0.193CC..  trans-122.8143.9175.8-61.1179.3000110.8I533 S534 R540 V541 L544 L553 Y556I533-L536 HydrophobicContact CG2-CB 4.24Å; I533-L536 HydrophobicContact CG2-CD1 4.05Å; I533-L536 HydrophobicContact CG2-CG 4.43Å; S534-L536 PolarHBondContact O-N 3.4Å; L536-R540 HydrophobicContact CD2-CG 4.11Å; L536-V541 HydrophobicContact CB-CG2 3.65Å; L536-V541 HydrophobicContact CD1-CG2 4.05Å; L536-L544 HydrophobicContact CD1-CD1 3.85Å; L536-L553 HydrophobicContact CD1-CD1 3.94Å; L536-Y556 HydrophobicContact CD1-CD1 4.15Å; L536-Y556 HydrophobicContact CD1-CD2 3.68Å; L536-Y556 HydrophobicContact CD1-CE2 4.24Å; L536-Y556 HydrophobicContact CD1-CG 3.64Å; L536-Y556 HydrophobicContact CD2-CD1 4.13Å; L536-Y556 HydrophobicContact CD2-CD2 4.47Å; L536-Y556 HydrophobicContact CD2-CE1 3.95Å; L536-Y556 HydrophobicContact CD2-CE2 4.32Å; L536-Y556 HydrophobicContact CD2-CG 4.39Å; L536-Y556 HydrophobicContact CG-CD1 3.76Å; L536-Y556 HydrophobicContact CG-CD2 4.17Å; L536-Y556 HydrophobicContact CG-CE1 4.11Å; L536-Y556 HydrophobicContact CG-CG 3.79Å
537D91.1Very high94.9Very high95 Ų9541.5 Ų41.551%0.50822%0.218SC..  trans-80167.2173.165.776.6000113D539 R540 V541D537-D539 VanDerWaalsContact C-N 3.29Å; D537-D539 PolarHBondContact O-N 3.07Å; D537-D539 PolarHBondContact OD1-N 2.95Å; D537-R540 PolarHBondContact O-N 3.16Å; D537-R540 WeakPolarHBondContact OD1-CB 3.47Å; D537-R540 PolarHBondContact OD1-N 3.24Å; D537-V541 WeakPolarHBondContact O-CG2 3.38Å; D537-V541 PolarHBondContact O-N 3.15Å
538V91.6Very high94.9Very high35 Ų3546.7 Ų46.721%0.21225%0.246CC..Hα-helixtrans-55.8-42-177.2174.70000112.3K542 I600V538-K542 HydrophobicContact CG1-CD 4Å; V538-K542 VanDerWaalsContact CG1-CE 3.47Å; V538-K542 VanDerWaalsContact O-CG 3.3Å; V538-K542 WeakPolarHBondContact O-CG 3.23Å; V538-K542 PolarHBondContact O-N 2.93Å; V538-K542 VanDerWaalsContact O-N 3.12Å; V538-I600 HydrophobicContact CB-CG1 4.42Å; V538-I600 HydrophobicContact CG2-CD1 4.47Å; V538-I600 HydrophobicContact CG2-CG1 3.51Å
539D92.6Very high94.8Very high114 Ų11449.1 Ų49.161%0.6126%0.259SS*.Hα-helixtrans-78.3-42.4-173.4-66.6-31.1000110D537 V541 K542 D543D537-D539 VanDerWaalsContact C-N 3.29Å; D537-D539 PolarHBondContact O-N 3.07Å; D537-D539 PolarHBondContact OD1-N 2.95Å; D539-V541 VanDerWaalsContact C-N 3.3Å; D539-V541 PolarHBondContact O-N 3.27Å; D539-K542 PolarHBondContact O-N 2.94Å; D539-D543 WeakPolarHBondContact O-CB 3.45Å; D539-D543 PolarHBondContact O-N 3.23Å
540R95.4Very high94.8Very high100 Ų10050.2 Ų50.238%0.37726%0.263SS..Hα-helixtrans-60.9-36.3174.2-176.355.5-178.7154.25.3112.7L536 D537 D543 L544L536-R540 HydrophobicContact CD2-CG 4.11Å; D537-R540 PolarHBondContact O-N 3.16Å; D537-R540 WeakPolarHBondContact OD1-CB 3.47Å; D537-R540 PolarHBondContact OD1-N 3.24Å; R540-D543 IonicContact NH1-OD2 3.11Å; R540-D543 PolarHBondContact NH1-OD2 3.39Å; R540-D543 VanDerWaalsContact NH1-OD2 3.11Å; R540-L544 WeakPolarHBondContact O-CG 3.42Å; R540-L544 PolarHBondContact O-N 3.33Å; R540-L544 VanDerWaalsContact O-N 3.08Å
541V96Very high94.7Very high0 Ų058.4 Ų58.40%030%0.301CS..Hα-helixtrans-66.5-48173.1169.70000111.3I533 L536 D537 D539 D543 L544 I545 L553 I600 P601I533-V541 HydrophobicContact CB-CG2 4.5Å; I533-V541 HydrophobicContact CG2-CG2 3.83Å; L536-V541 HydrophobicContact CB-CG2 3.65Å; L536-V541 HydrophobicContact CD1-CG2 4.05Å; D537-V541 WeakPolarHBondContact O-CG2 3.38Å; D537-V541 PolarHBondContact O-N 3.15Å; D539-V541 VanDerWaalsContact C-N 3.3Å; D539-V541 PolarHBondContact O-N 3.27Å; V541-D543 PolarHBondContact O-N 2.94Å; V541-L544 PolarHBondContact O-N 3Å; V541-I545 HydrophobicContact CG1-CD1 3.8Å; V541-I545 VanDerWaalsContact O-CG1 3.29Å; V541-I545 WeakPolarHBondContact O-CG1 3.4Å; V541-I545 PolarHBondContact O-N 3.22Å; V541-L553 HydrophobicContact CB-CD1 4.37Å; V541-L553 HydrophobicContact CG1-CD1 4.01Å; V541-L553 HydrophobicContact CG1-CD2 4.35Å; V541-L553 HydrophobicContact CG2-CD1 3.94Å; V541-I600 HydrophobicContact CB-CG2 4.11Å; V541-I600 HydrophobicContact CG1-CG2 4.1Å; V541-I600 HydrophobicContact CG2-CG2 3.8Å; V541-P601 HydrophobicContact CG1-CB 4.07Å; V541-P601 HydrophobicContact CG1-CG 4.1Å
542K93.9Very high94.6Very high56 Ų5660.9 Ų60.924%0.24332%0.317CS..Hα-helixtrans-60.1-36.5175.8-72.6167.4-177.1169.60112V538 D539 I545 A546 P601V538-K542 HydrophobicContact CG1-CD 4Å; V538-K542 VanDerWaalsContact CG1-CE 3.47Å; V538-K542 VanDerWaalsContact O-CG 3.3Å; V538-K542 WeakPolarHBondContact O-CG 3.23Å; V538-K542 PolarHBondContact O-N 2.93Å; V538-K542 VanDerWaalsContact O-N 3.12Å; D539-K542 PolarHBondContact O-N 2.94Å; K542-I545 PolarHBondContact O-N 2.74Å; K542-A546 VanDerWaalsContact O-CB 3.32Å; K542-A546 WeakPolarHBondContact O-CB 3.3Å; K542-A546 PolarHBondContact O-N 2.76Å; K542-P601 HydrophobicContact CG-CG 4.49Å
543D96.1Very high94.6Very high65 Ų6560.2 Ų60.235%0.34831%0.314SS..Hα-helixtrans-69.1-33.9179.6-170.159.9000112.9D539 R540 V541 K547D539-D543 WeakPolarHBondContact O-CB 3.45Å; D539-D543 PolarHBondContact O-N 3.23Å; R540-D543 IonicContact NH1-OD2 3.11Å; R540-D543 PolarHBondContact NH1-OD2 3.39Å; R540-D543 VanDerWaalsContact NH1-OD2 3.11Å; V541-D543 PolarHBondContact O-N 2.94Å; D543-K547 WeakPolarHBondContact O-CD 3.43Å; D543-K547 VanDerWaalsContact O-CE 3.32Å; D543-K547 WeakPolarHBondContact O-CE 3.29Å; D543-K547 WeakPolarHBondContact O-CG 3.33Å; D543-K547 WeakPolarHBondContact OD1-CE 3.34Å; D543-K547 IonicContact OD1-NZ 3.26Å; D543-K547 PolarHBondContact OD1-NZ 2.81Å; D543-K547 IonicContact OD2-NZ 2.68Å; D543-K547 PolarHBondContact OD2-NZ 3.39Å
544L96.5Very high94.6Very high2 Ų262 Ų621%0.0132%0.322CS..Hα-helixtrans-72.1-44.6170.6-72.9166.9000111.8L536 R540 V541 A546 K547 N548 D549 T552 L553L536-L544 HydrophobicContact CD1-CD1 3.85Å; R540-L544 WeakPolarHBondContact O-CG 3.42Å; R540-L544 PolarHBondContact O-N 3.33Å; R540-L544 VanDerWaalsContact O-N 3.08Å; V541-L544 PolarHBondContact O-N 3Å; L544-A546 VanDerWaalsContact C-N 3.35Å; L544-A546 PolarHBondContact O-N 3.48Å; L544-K547 CarbonylContact O-C 3.5Å; L544-K547 PolarHBondContact O-N 2.83Å; L544-N548 PolarHBondContact O-N 3.23Å; L544-D549 HydrophobicContact CB-CB 4.47Å; L544-D549 HydrophobicContact CD2-CB 3.84Å; L544-D549 WeakPolarHBondContact CD2-OD2 3.35Å; L544-D549 PolarHBondContact O-N 3.01Å; L544-T552 HydrophobicContact CD1-CG2 4.47Å; L544-T552 HydrophobicContact CD2-CG2 4.12Å; L544-L553 HydrophobicContact CB-CB 4.41Å; L544-L553 HydrophobicContact CD1-CB 4.28Å; L544-L553 HydrophobicContact CD1-CD1 4.07Å
545I96.3Very high94.8Very high10 Ų1063.9 Ų63.95%0.05134%0.336CS..Hα-helixtrans-60.3-44.6176.9-63.2162.2000110.7V541 K542 K547 N548 Y550 L553 Q580 P581 W592 P601V541-I545 HydrophobicContact CG1-CD1 3.8Å; V541-I545 VanDerWaalsContact O-CG1 3.29Å; V541-I545 WeakPolarHBondContact O-CG1 3.4Å; V541-I545 PolarHBondContact O-N 3.22Å; K542-I545 PolarHBondContact O-N 2.74Å; I545-K547 PolarHBondContact O-N 2.66Å; I545-K547 VanDerWaalsContact O-N 3.1Å; I545-N548 PolarHBondContact O-N 2.93Å; I545-Y550 HydrophobicContact CG2-CE1 4.24Å; I545-L553 HydrophobicContact CD1-CD2 4.22Å; I545-L553 HydrophobicContact CG1-CD2 3.63Å; I545-Q580 HydrophobicContact CG2-CB 4.1Å; I545-P581 HydrophobicContact CD1-CG 3.76Å; I545-P581 HydrophobicContact CG1-CG 4.14Å; I545-W592 HydrophobicContact CD1-CH2 4.26Å; I545-W592 HydrophobicContact CD1-CZ2 4Å; I545-W592 HydrophobicContact CG2-CZ2 4.03Å; I545-P601 HydrophobicContact CD1-CB 3.76Å; I545-P601 HydrophobicContact CD1-CG 3.99Å
546A95.4Very high95.2Very high82 Ų8261.4 Ų61.468%0.67832%0.317SS*.THydrogen-bonded Turntrans-62.4-17.1177.200000113.9K542 L544K542-A546 VanDerWaalsContact O-CB 3.32Å; K542-A546 WeakPolarHBondContact O-CB 3.3Å; K542-A546 PolarHBondContact O-N 2.76Å; L544-A546 VanDerWaalsContact C-N 3.35Å; L544-A546 PolarHBondContact O-N 3.48Å
547K96.3Very high95.4Very high123 Ų12360 Ų6054%0.53531%0.31SS..THydrogen-bonded Turntrans-99.1-3.2175.6-68.6162.6-161.9166.50112.7D543 L544 I545 D549D543-K547 WeakPolarHBondContact O-CD 3.43Å; D543-K547 VanDerWaalsContact O-CE 3.32Å; D543-K547 WeakPolarHBondContact O-CE 3.29Å; D543-K547 WeakPolarHBondContact O-CG 3.33Å; D543-K547 WeakPolarHBondContact OD1-CE 3.34Å; D543-K547 IonicContact OD1-NZ 3.26Å; D543-K547 PolarHBondContact OD1-NZ 2.81Å; D543-K547 IonicContact OD2-NZ 2.68Å; D543-K547 PolarHBondContact OD2-NZ 3.39Å; L544-K547 CarbonylContact O-C 3.5Å; L544-K547 PolarHBondContact O-N 2.83Å; I545-K547 PolarHBondContact O-N 2.66Å; I545-K547 VanDerWaalsContact O-N 3.1Å; K547-D549 HydrophobicContact CB-CB 4.32Å; K547-D549 PolarHBondContact O-N 3.21Å
548N95.8Very high95.7Very high109 Ų10955.9 Ų55.958%0.58329%0.288SS*.THydrogen-bonded Turntrans55.429-167.8-56.1-83000113.3L544 I545 Y550L544-N548 PolarHBondContact O-N 3.23Å; I545-N548 PolarHBondContact O-N 2.93Å; N548-Y550 HydrophobicContact CB-CD2 4.36Å; N548-Y550 HydrophobicContact CB-CE2 3.76Å; N548-Y550 PolarHBondContact O-N 3.02Å; N548-Y550 PolarHBondContact OD1-OH 3.19Å
549D96.3Very high96Very high53 Ų5354.2 Ų54.228%0.28328%0.278SS..  trans-82.460179.1-170.5-0.9000110.3L544 K547 E551 T552 L553L544-D549 HydrophobicContact CB-CB 4.47Å; L544-D549 HydrophobicContact CD2-CB 3.84Å; L544-D549 WeakPolarHBondContact CD2-OD2 3.35Å; L544-D549 PolarHBondContact O-N 3.01Å; K547-D549 HydrophobicContact CB-CB 4.32Å; K547-D549 PolarHBondContact O-N 3.21Å; D549-E551 VanDerWaalsContact C-N 3.35Å; D549-T552 VanDerWaalsContact CG-CB 3.49Å; D549-T552 VanDerWaalsContact CG-OG1 3.26Å; D549-T552 WeakPolarHBondContact OD1-CB 3.39Å; D549-T552 PolarHBondContact OD1-N 2.89Å; D549-T552 PolarHBondContact OD1-OG1 3.15Å; D549-T552 PolarHBondContact OD2-OG1 3.15Å; D549-L553 WeakPolarHBondContact O-CB 3.36Å; D549-L553 PolarHBondContact O-N 3.4Å; D549-L553 VanDerWaalsContact O-N 3.15Å
550Y96.3Very high96.2Very high22 Ų2251.9 Ų51.99%0.08626%0.262CS..Hα-helixtrans-71.4-29.3-176.8-56.6-51000112.1I545 N548 L553 H554 Q580 W603I545-Y550 HydrophobicContact CG2-CE1 4.24Å; N548-Y550 HydrophobicContact CB-CD2 4.36Å; N548-Y550 HydrophobicContact CB-CE2 3.76Å; N548-Y550 PolarHBondContact O-N 3.02Å; N548-Y550 PolarHBondContact OD1-OH 3.19Å; Y550-L553 PolarHBondContact O-N 3Å; Y550-H554 WeakPolarHBondContact O-CB 3.22Å; Y550-H554 PolarHBondContact O-N 3.25Å; Y550-Q580 HydrophobicContact CE1-CB 4Å; Y550-W603 HydrophobicContact CD1-CH2 4.34Å; Y550-W603 AromaticContact CD1-CZ2 3.87Å; Y550-W603 HydrophobicContact CD1-CZ2 3.87Å; Y550-W603 HydrophobicContact CG-CZ2 4.31Å
551E94.7Very high96.3Very high176 Ų17650.5 Ų50.582%0.82226%0.257SS*.Hα-helixtrans-61-52.3174.3-174.1-178.5-173.900111.1D549 L553 H554 S555D549-E551 VanDerWaalsContact C-N 3.35Å; E551-L553 PolarHBondContact O-N 2.97Å; E551-H554 PolarHBondContact O-N 3.36Å; E551-S555 PolarHBondContact O-N 3.3Å
552T95.3Very high96.4Very high53 Ų5351.9 Ų51.933%0.32526%0.264SS..Hα-helixtrans-61.2-46.4176.6-58.50000110.5L544 D549 H554 S555 Y556L544-T552 HydrophobicContact CD1-CG2 4.47Å; L544-T552 HydrophobicContact CD2-CG2 4.12Å; D549-T552 VanDerWaalsContact CG-CB 3.49Å; D549-T552 VanDerWaalsContact CG-OG1 3.26Å; D549-T552 WeakPolarHBondContact OD1-CB 3.39Å; D549-T552 PolarHBondContact OD1-N 2.89Å; D549-T552 PolarHBondContact OD1-OG1 3.15Å; D549-T552 PolarHBondContact OD2-OG1 3.15Å; T552-H554 PolarHBondContact O-N 2.82Å; T552-S555 WeakPolarHBondContact O-CB 3.44Å; T552-S555 PolarHBondContact O-N 2.91Å; T552-S555 PolarHBondContact O-OG 2.96Å; T552-Y556 HydrophobicContact CG2-CE2 4.43Å; T552-Y556 VanDerWaalsContact O-CD2 3.31Å; T552-Y556 WeakPolarHBondContact O-CD2 3.44Å
553L96.9Very high96.5Very high0 Ų051.5 Ų51.50%026%0.264CS..Hα-helixtrans-63.5-38.1-178.8-176.161.1000112.7I533 L536 V541 L544 I545 D549 Y550 E551 S555 Y556 P581 W603I533-L553 HydrophobicContact CD1-CD1 3.99Å; I533-L553 HydrophobicContact CD1-CG 4.05Å; I533-L553 HydrophobicContact CG1-CD1 4.07Å; I533-L553 HydrophobicContact CG2-CD1 3.94Å; L536-L553 HydrophobicContact CD1-CD1 3.94Å; V541-L553 HydrophobicContact CB-CD1 4.37Å; V541-L553 HydrophobicContact CG1-CD1 4.01Å; V541-L553 HydrophobicContact CG1-CD2 4.35Å; V541-L553 HydrophobicContact CG2-CD1 3.94Å; L544-L553 HydrophobicContact CB-CB 4.41Å; L544-L553 HydrophobicContact CD1-CB 4.28Å; L544-L553 HydrophobicContact CD1-CD1 4.07Å; I545-L553 HydrophobicContact CD1-CD2 4.22Å; I545-L553 HydrophobicContact CG1-CD2 3.63Å; D549-L553 WeakPolarHBondContact O-CB 3.36Å; D549-L553 PolarHBondContact O-N 3.4Å; D549-L553 VanDerWaalsContact O-N 3.15Å; Y550-L553 PolarHBondContact O-N 3Å; E551-L553 PolarHBondContact O-N 2.97Å; L553-S555 VanDerWaalsContact C-N 3.27Å; L553-S555 PolarHBondContact O-N 2.99Å; L553-Y556 PolarHBondContact O-N 3.01Å; L553-P581 HydrophobicContact CD2-CG 4.12Å; L553-W603 HydrophobicContact CB-CH2 3.96Å; L553-W603 HydrophobicContact CB-CZ3 4.28Å; L553-W603 HydrophobicContact CD2-CH2 3.71Å; L553-W603 HydrophobicContact CD2-CZ2 4.37Å; L553-W603 HydrophobicContact CD2-CZ3 4.06Å; L553-W603 HydrophobicContact CG-CH2 3.74Å; L553-W603 HydrophobicContact CG-CZ3 3.77Å
554H96.2Very high96.5Very high38 Ų3853.1 Ų53.118%0.17627%0.272CS..Hα-helixtrans-67.9-23.6178.1-172.6-151.2000112.6Y550 E551 T552 Y556 D557 W603Y550-H554 WeakPolarHBondContact O-CB 3.22Å; Y550-H554 PolarHBondContact O-N 3.25Å; E551-H554 PolarHBondContact O-N 3.36Å; T552-H554 PolarHBondContact O-N 2.82Å; H554-Y556 PolarHBondContact O-N 3.02Å; H554-D557 VanDerWaalsContact O-CB 3.32Å; H554-D557 WeakPolarHBondContact O-CB 3.41Å; H554-D557 PolarHBondContact O-N 3.01Å; H554-D557 VanDerWaalsContact O-N 3.13Å; H554-W603 HydrophobicContact CB-CH2 4.24Å; H554-W603 HydrophobicContact CB-CZ3 4.08Å
555S95.6Very high96.5Very high55 Ų5557.9 Ų57.939%0.38530%0.301SS..THydrogen-bonded Turntrans-65.3-15.1169.779.20000114.1E551 T552 L553 R561E551-S555 PolarHBondContact O-N 3.3Å; T552-S555 WeakPolarHBondContact O-CB 3.44Å; T552-S555 PolarHBondContact O-N 2.91Å; T552-S555 PolarHBondContact O-OG 2.96Å; L553-S555 VanDerWaalsContact C-N 3.27Å; L553-S555 PolarHBondContact O-N 2.99Å; S555-R561 PolarHBondContact O-NE 2.9Å
556Y97.1Very high96.5Very high72 Ų7264.2 Ų64.228%0.28233%0.331SS..THydrogen-bonded Turntrans-102.7-1.3175-66.6-90.8000113.7S534 D535 L536 T552 L553 H554 R561S534-Y556 PolarHBondContact N-O 3.25Å; S534-Y556 WeakPolarHBondContact O-CB 3.5Å; S534-Y556 VanDerWaalsContact O-CD1 3.3Å; S534-Y556 WeakPolarHBondContact O-CD1 3.24Å; S534-Y556 PolarHBondContact OG-O 2.98Å; D535-Y556 HydrophobicContact CB-CD1 4.06Å; D535-Y556 HydrophobicContact CB-CE1 4.21Å; L536-Y556 HydrophobicContact CD1-CD1 4.15Å; L536-Y556 HydrophobicContact CD1-CD2 3.68Å; L536-Y556 HydrophobicContact CD1-CE2 4.24Å; L536-Y556 HydrophobicContact CD1-CG 3.64Å; L536-Y556 HydrophobicContact CD2-CD1 4.13Å; L536-Y556 HydrophobicContact CD2-CD2 4.47Å; L536-Y556 HydrophobicContact CD2-CE1 3.95Å; L536-Y556 HydrophobicContact CD2-CE2 4.32Å; L536-Y556 HydrophobicContact CD2-CG 4.39Å; L536-Y556 HydrophobicContact CG-CD1 3.76Å; L536-Y556 HydrophobicContact CG-CD2 4.17Å; L536-Y556 HydrophobicContact CG-CE1 4.11Å; L536-Y556 HydrophobicContact CG-CG 3.79Å; T552-Y556 HydrophobicContact CG2-CE2 4.43Å; T552-Y556 VanDerWaalsContact O-CD2 3.31Å; T552-Y556 WeakPolarHBondContact O-CD2 3.44Å; L553-Y556 PolarHBondContact O-N 3.01Å; H554-Y556 PolarHBondContact O-N 3.02Å; Y556-R561 VanDerWaalsContact CD1-NH2 3.28Å
557D97.8Very high96.6Very high0 Ų061.4 Ų61.40%031%0.308CS..BIsolated β-bridgetrans-69.8128.5174.8177.371.5000111.4I533 H554 L559 K560 R561 R606I533-D557 HydrophobicContact CD1-CB 4.25Å; H554-D557 VanDerWaalsContact O-CB 3.32Å; H554-D557 WeakPolarHBondContact O-CB 3.41Å; H554-D557 PolarHBondContact O-N 3.01Å; H554-D557 VanDerWaalsContact O-N 3.13Å; D557-L559 PolarHBondContact O-N 3.02Å; D557-L559 WeakPolarHBondContact OD2-CB 3.45Å; D557-L559 PolarHBondContact OD2-N 3.37Å; D557-L559 VanDerWaalsContact OD2-N 3.11Å; D557-K560 HydrophobicContact CB-CB 4.3Å; D557-K560 PolarHBondContact OD2-N 3.27Å; D557-R561 WeakPolarHBondContact O-CD 3.35Å; D557-R561 VanDerWaalsContact O-CG 3.3Å; D557-R561 WeakPolarHBondContact O-CG 3.42Å; D557-R561 PolarHBondContact O-N 3.02Å; D557-R561 VanDerWaalsContact O-N 3.12Å; D557-R606 VanDerWaalsContact CG-NH1 3.32Å; D557-R606 IonicContact OD1-CZ 2.62Å; D557-R606 IonicContact OD1-NH1 3.76Å; D557-R606 PolarHBondContact OD1-NH1 3.22Å; D557-R606 IonicContact OD1-NH2 3.49Å; D557-R606 IonicContact OD2-CZ 3.97Å; D557-R606 IonicContact OD2-NH1 2.86Å; D557-R606 PolarHBondContact OD2-NH1 2.94Å; D557-R606 VanDerWaalsContact OD2-NH1 3.17Å; D557-R606 IonicContact OD2-NH2 3.84Å; D557-R606 PolarHBondContact OD2-NH2 3.19Å
558Q98.3Very high96.6Very high8 Ų855.6 Ų55.64%0.03728%0.283CS..Hα-helixtrans-66.7-36.1-179.5-73.2170.4-15.700112.9V486 Y531 R532 R561 Q562V486-Q558 PolarHBondContact O-NE2 3.27Å; Y531-Q558 HydrophobicContact CD1-CB 3.8Å; Y531-Q558 HydrophobicContact CG-CB 4.43Å; R532-Q558 VanDerWaalsContact N-OE1 3.08Å; R532-Q558 WeakPolarHBondContact O-CB 3.4Å; R532-Q558 WeakPolarHBondContact O-CG 3.31Å; R532-Q558 PolarHBondContact O-N 2.95Å; Q558-R561 PolarHBondContact O-N 3.37Å; Q558-Q562 WeakPolarHBondContact O-CB 3.44Å; Q558-Q562 VanDerWaalsContact O-CG 3.23Å; Q558-Q562 WeakPolarHBondContact O-CG 3.43Å; Q558-Q562 PolarHBondContact O-N 2.96Å
559L98.1Very high96.7Very high0 Ų050.5 Ų50.50%026%0.255CS..Hα-helixtrans-65.5-47-178.7178.358.3000110.3L529 Y531 D557 R561 Q562 I563 V568 F569 R606 L608L529-L559 HydrophobicContact CD1-CD2 3.88Å; Y531-L559 HydrophobicContact CD1-CB 4.35Å; Y531-L559 HydrophobicContact CD2-CB 3.83Å; Y531-L559 HydrophobicContact CD2-CD1 3.87Å; Y531-L559 HydrophobicContact CD2-CD2 4.42Å; Y531-L559 HydrophobicContact CD2-CG 4.25Å; Y531-L559 HydrophobicContact CE2-CD1 3.73Å; Y531-L559 HydrophobicContact CG-CB 3.73Å; Y531-L559 HydrophobicContact CG-CD1 4.45Å; D557-L559 PolarHBondContact O-N 3.02Å; D557-L559 WeakPolarHBondContact OD2-CB 3.45Å; D557-L559 PolarHBondContact OD2-N 3.37Å; D557-L559 VanDerWaalsContact OD2-N 3.11Å; L559-R561 PolarHBondContact O-N 3.47Å; L559-Q562 PolarHBondContact O-N 2.98Å; L559-I563 HydrophobicContact CD1-CD1 3.78Å; L559-I563 HydrophobicContact CD1-CG1 4.08Å; L559-I563 HydrophobicContact CG-CD1 3.87Å; L559-I563 WeakPolarHBondContact O-CG1 3.49Å; L559-I563 PolarHBondContact O-N 3.48Å; L559-V568 HydrophobicContact CD1-CG2 4.3Å; L559-F569 HydrophobicContact CD1-CD2 3.82Å; L559-F569 HydrophobicContact CD1-CE2 4.06Å; L559-R606 HydrophobicContact CD2-CB 4.27Å; L559-R606 HydrophobicContact CD2-CG 3.97Å; L559-L608 HydrophobicContact CD2-CD1 4.13Å; L559-L608 HydrophobicContact CD2-CD2 4.49Å
560K96.5Very high96.6Very high66 Ų6651.2 Ų51.229%0.28726%0.261SS..Hα-helixtrans-52.9-54.1172.2170.7157.917347.50111.3D557 Q562 I563 D564D557-K560 HydrophobicContact CB-CB 4.3Å; D557-K560 PolarHBondContact OD2-N 3.27Å; K560-Q562 VanDerWaalsContact C-N 3.33Å; K560-Q562 PolarHBondContact O-N 3.43Å; K560-I563 PolarHBondContact O-N 3.49Å; K560-I563 VanDerWaalsContact O-N 3.11Å; K560-D564 WeakPolarHBondContact CE-OD2 2.97Å; K560-D564 VanDerWaalsContact CG-OD2 3.28Å; K560-D564 WeakPolarHBondContact CG-OD2 2.96Å; K560-D564 IonicContact NZ-OD1 2.66Å; K560-D564 PolarHBondContact NZ-OD1 3.21Å; K560-D564 IonicContact NZ-OD2 3.3Å; K560-D564 PolarHBondContact NZ-OD2 2.86Å; K560-D564 PolarHBondContact O-N 3.08Å
561R97Very high96.5Very high70 Ų7052.8 Ų52.826%0.26428%0.284SS..Hα-helixtrans-58.3-40.8-179.7-71.2166.2165.6-151.1-7.5112.9S534 D535 S555 Y556 D557 Q558 L559 D564 V565S534-R561 PolarHBondContact OG-NH1 3.39Å; D535-R561 IonicContact OD2-CZ 2.76Å; D535-R561 VanDerWaalsContact OD2-CZ 3.26Å; D535-R561 IonicContact OD2-NH1 3.23Å; D535-R561 PolarHBondContact OD2-NH1 3.46Å; D535-R561 IonicContact OD2-NH2 2.83Å; D535-R561 PolarHBondContact OD2-NH2 2.92Å; S555-R561 PolarHBondContact O-NE 2.9Å; Y556-R561 VanDerWaalsContact CD1-NH2 3.28Å; D557-R561 WeakPolarHBondContact O-CD 3.35Å; D557-R561 VanDerWaalsContact O-CG 3.3Å; D557-R561 WeakPolarHBondContact O-CG 3.42Å; D557-R561 PolarHBondContact O-N 3.02Å; D557-R561 VanDerWaalsContact O-N 3.12Å; Q558-R561 PolarHBondContact O-N 3.37Å; L559-R561 PolarHBondContact O-N 3.47Å; R561-D564 PolarHBondContact O-N 2.93Å; R561-V565 WeakPolarHBondContact O-CG2 3.27Å; R561-V565 PolarHBondContact O-N 3.47Å
562Q97.8Very high96.6Very high30 Ų3045.3 Ų45.314%0.1425%0.249CC..Hα-helixtrans-75.2-22.4178.8-63.3-54.5-64.500113.4Y489 N493 Y531 Q558 L559 K560 A567 V568Y489-Q562 HydrophobicContact CD2-CG 3.96Å; N493-Q562 PolarHBondContact ND2-OE1 3.38Å; Y531-Q562 HydrophobicContact CE1-CG 4.33Å; Q558-Q562 WeakPolarHBondContact O-CB 3.44Å; Q558-Q562 VanDerWaalsContact O-CG 3.23Å; Q558-Q562 WeakPolarHBondContact O-CG 3.43Å; Q558-Q562 PolarHBondContact O-N 2.96Å; L559-Q562 PolarHBondContact O-N 2.98Å; K560-Q562 VanDerWaalsContact C-N 3.33Å; K560-Q562 PolarHBondContact O-N 3.43Å; Q562-A567 HydrophobicContact CB-CB 4.49Å; Q562-A567 WeakPolarHBondContact O-CB 3.34Å; Q562-A567 PolarHBondContact O-N 2.87Å; Q562-V568 HydrophobicContact CB-CG2 3.7Å; Q562-V568 PolarHBondContact O-N 2.86Å
563I97Very high96.7Very high47 Ų4749.5 Ų49.524%0.24126%0.263CS..Hα-helixtrans-77.4-44.6169-71173.5000110.9L559 K560 V565 E566 V568 F569 L608L559-I563 HydrophobicContact CD1-CD1 3.78Å; L559-I563 HydrophobicContact CD1-CG1 4.08Å; L559-I563 HydrophobicContact CG-CD1 3.87Å; L559-I563 WeakPolarHBondContact O-CG1 3.49Å; L559-I563 PolarHBondContact O-N 3.48Å; K560-I563 PolarHBondContact O-N 3.49Å; K560-I563 VanDerWaalsContact O-N 3.11Å; I563-V565 PolarHBondContact O-N 2.85Å; I563-E566 WeakPolarHBondContact O-CA 3.39Å; I563-E566 PolarHBondContact O-N 3.05Å; I563-V568 HydrophobicContact CG1-CG2 4.13Å; I563-F569 HydrophobicContact CD1-CB 4.06Å; I563-F569 HydrophobicContact CG1-CB 4Å; I563-L608 HydrophobicContact CD1-CD2 3.75Å
564D95.4Very high96.8Very high99 Ų9951.4 Ų51.453%0.52927%0.272SS..Hα-helixtrans-60.1-30-179.1-68.4-28.4000112.5K560 R561K560-D564 WeakPolarHBondContact CE-OD2 2.97Å; K560-D564 VanDerWaalsContact CG-OD2 3.28Å; K560-D564 WeakPolarHBondContact CG-OD2 2.96Å; K560-D564 IonicContact NZ-OD1 2.66Å; K560-D564 PolarHBondContact NZ-OD1 3.21Å; K560-D564 IonicContact NZ-OD2 3.3Å; K560-D564 PolarHBondContact NZ-OD2 2.86Å; K560-D564 PolarHBondContact O-N 3.08Å; R561-D564 PolarHBondContact O-N 2.93Å
565V96.8Very high96.7Very high102 Ų10250 Ų5062%0.61827%0.268SS*.THydrogen-bonded Turntrans-95.913.4174.3-52.80000114R561 I563 A567R561-V565 WeakPolarHBondContact O-CG2 3.27Å; R561-V565 PolarHBondContact O-N 3.47Å; I563-V565 PolarHBondContact O-N 2.85Å; V565-A567 HydrophobicContact CG2-CB 3.94Å; V565-A567 PolarHBondContact O-N 3.29Å; V565-A567 VanDerWaalsContact O-N 3.1Å
566E96.6Very high96.7Very high143 Ų14355.8 Ų55.867%0.66829%0.289SS*.THydrogen-bonded Turntrans54.822-179-57.4-161.5137.500115.7I563 V568 V570I563-E566 WeakPolarHBondContact O-CA 3.39Å; I563-E566 PolarHBondContact O-N 3.05Å; E566-V568 VanDerWaalsContact C-N 3.34Å; E566-V568 PolarHBondContact O-N 2.94Å; E566-V570 HydrophobicContact CB-CG2 3.94Å; E566-V570 WeakPolarHBondContact O-CG2 3.22Å
567A96.4Very high96.6Very high24 Ų2453 Ų5320%0.19828%0.279CS..SBendtrans-72.6-26-178.700000113.5K497 Q562 V565K497-A567 WeakPolarHBondContact CE-O 2.78Å; K497-A567 PolarHBondContact NZ-O 2.86Å; Q562-A567 HydrophobicContact CB-CB 4.49Å; Q562-A567 WeakPolarHBondContact O-CB 3.34Å; Q562-A567 PolarHBondContact O-N 2.87Å; V565-A567 HydrophobicContact CG2-CB 3.94Å; V565-A567 PolarHBondContact O-N 3.29Å; V565-A567 VanDerWaalsContact O-N 3.1Å
568V97.2Very high96.4Very high1 Ų158.4 Ų58.41%0.00631%0.308CS..SBendtrans-146.4166.8-179.2-66.70000111.3N493 F496 L559 Q562 I563 E566 V570N493-V568 HydrophobicContact CB-CG1 3.66Å; N493-V568 WeakPolarHBondContact OD1-CG1 3.1Å; F496-V568 HydrophobicContact CB-CG1 4.47Å; F496-V568 HydrophobicContact CD1-CB 3.89Å; F496-V568 HydrophobicContact CD1-CG1 3.9Å; F496-V568 HydrophobicContact CE1-CB 4.2Å; F496-V568 HydrophobicContact CG-CB 4.4Å; F496-V568 HydrophobicContact CG-CG1 4.39Å; L559-V568 HydrophobicContact CD1-CG2 4.3Å; Q562-V568 HydrophobicContact CB-CG2 3.7Å; Q562-V568 PolarHBondContact O-N 2.86Å; I563-V568 HydrophobicContact CG1-CG2 4.13Å; E566-V568 VanDerWaalsContact C-N 3.34Å; E566-V568 PolarHBondContact O-N 2.94Å; V568-V570 PolarHBondContact O-N 3.47Å
569F97Very high96.4Very high1 Ų158.7 Ų58.70%0.00431%0.309CS..SBendtrans48.926.8170.2-70-80.1000115.6F496 W525 L529 L559 I563 G571 F572 L608F496-F569 HydrophobicContact CD2-CD1 4.05Å; F496-F569 HydrophobicContact CD2-CD2 4.03Å; F496-F569 AromaticContact CD2-CE1 3.72Å; F496-F569 HydrophobicContact CD2-CE1 3.72Å; F496-F569 AromaticContact CD2-CE2 3.69Å; F496-F569 HydrophobicContact CD2-CE2 3.69Å; F496-F569 HydrophobicContact CD2-CG 4.19Å; F496-F569 AromaticContact CD2-CZ 3.53Å; F496-F569 HydrophobicContact CD2-CZ 3.53Å; F496-F569 AromaticContact CE2-CD1 3.51Å; F496-F569 HydrophobicContact CE2-CD1 3.51Å; F496-F569 HydrophobicContact CE2-CD2 4.11Å; F496-F569 AromaticContact CE2-CE1 3.55Å; F496-F569 HydrophobicContact CE2-CE1 3.55Å; F496-F569 HydrophobicContact CE2-CE2 4.14Å; F496-F569 AromaticContact CE2-CG 3.8Å; F496-F569 HydrophobicContact CE2-CG 3.8Å; F496-F569 AromaticContact CE2-CZ 3.87Å; F496-F569 HydrophobicContact CE2-CZ 3.87Å; F496-F569 HydrophobicContact CG-CD2 4.45Å; F496-F569 HydrophobicContact CG-CE2 4.21Å; F496-F569 HydrophobicContact CG-CZ 4.44Å; F496-F569 HydrophobicContact CZ-CD1 4.2Å; F496-F569 HydrophobicContact CZ-CG 4.18Å; W525-F569 HydrophobicContact CB-CE1 4.32Å; W525-F569 AromaticContact CD1-CE1 3.91Å; W525-F569 AromaticContact CD2-CE1 3.67Å; W525-F569 HydrophobicContact CD2-CE1 3.67Å; W525-F569 HydrophobicContact CD2-CZ 4.27Å; W525-F569 AromaticContact CE2-CE1 3.84Å; W525-F569 AromaticContact CE2-CZ 3.97Å; W525-F569 HydrophobicContact CE3-CE1 4.16Å; W525-F569 AromaticContact CG-CE1 3.73Å; W525-F569 HydrophobicContact CG-CE1 3.73Å; W525-F569 HydrophobicContact CG-CZ 4.36Å; W525-F569 HydrophobicContact CZ2-CE1 4.45Å; W525-F569 HydrophobicContact CZ2-CZ 4.42Å; W525-F569 AromaticContact NE1-CE1 3.99Å; W525-F569 AromaticContact NE1-CZ 3.88Å; L529-F569 HydrophobicContact CD1-CE2 4.13Å; L529-F569 HydrophobicContact CD1-CZ 3.86Å; L559-F569 HydrophobicContact CD1-CD2 3.82Å; L559-F569 HydrophobicContact CD1-CE2 4.06Å; I563-F569 HydrophobicContact CD1-CB 4.06Å; I563-F569 HydrophobicContact CG1-CB 4Å; F569-G571 PolarHBondContact O-N 2.85Å; F569-G571 VanDerWaalsContact O-N 3.16Å; F569-F572 HydrophobicContact CB-CB 4.25Å; F569-F572 HydrophobicContact CB-CD2 4.21Å; F569-F572 HydrophobicContact CB-CG 4.37Å; F569-F572 HydrophobicContact CD1-CD1 4.22Å; F569-F572 HydrophobicContact CD1-CD2 4.06Å; F569-F572 HydrophobicContact CD1-CE1 4.46Å; F569-F572 HydrophobicContact CD1-CE2 4.28Å; F569-F572 HydrophobicContact CD1-CG 4.03Å; F569-F572 HydrophobicContact CD1-CZ 4.48Å; F569-F572 VanDerWaalsContact O-CB 3.3Å; F569-F572 WeakPolarHBondContact O-CB 3.35Å; F569-F572 WeakPolarHBondContact O-CD2 3.12Å; F569-F572 PolarHBondContact O-N 3.29Å; F569-L608 HydrophobicContact CB-CD2 4.43Å; F569-L608 HydrophobicContact CD1-CD2 4.27Å; F569-L608 HydrophobicContact CG-CD2 4.28Å
570V94.9Very high96.3Very high68 Ų6861.1 Ų61.141%0.41232%0.32SS..THydrogen-bonded Turntrans-55121-173.6-176.20000111.6E566 V568 F572 K610E566-V570 HydrophobicContact CB-CG2 3.94Å; E566-V570 WeakPolarHBondContact O-CG2 3.22Å; V568-V570 PolarHBondContact O-N 3.47Å; V570-F572 VanDerWaalsContact C-N 3.3Å; V570-F572 PolarHBondContact O-N 3.3Å; V570-K610 PolarHBondContact O-NZ 2.84Å
571G94.1Very high96.4Very high56 Ų5658 Ų5858%0.57731%0.307SS*.THydrogen-bonded Turntrans71.215.6-177.800000115.6F569 K610F569-G571 PolarHBondContact O-N 2.85Å; F569-G571 VanDerWaalsContact O-N 3.16Å; G571-K610 WeakPolarHBondContact O-CD 3.24Å; G571-K610 WeakPolarHBondContact O-CE 3.4Å; G571-K610 VanDerWaalsContact O-CG 3.3Å; G571-K610 WeakPolarHBondContact O-CG 3.35Å
572F97.5Very high96.4Very high18 Ų1854.7 Ų54.78%0.07929%0.294CS..  trans-77.9170.3154.3-74.8-109.3000109.8L518 V523 W525 F569 V570 L608 W609 K610L518-F572 HydrophobicContact CD2-CE2 3.85Å; L518-F572 HydrophobicContact CD2-CZ 4.06Å; V523-F572 HydrophobicContact CB-CE1 4.25Å; V523-F572 HydrophobicContact CB-CZ 4.28Å; V523-F572 HydrophobicContact CG1-CE1 3.87Å; V523-F572 HydrophobicContact CG1-CZ 3.83Å; W525-F572 HydrophobicContact CB-CE1 3.98Å; W525-F572 HydrophobicContact CE3-CE1 4.27Å; W525-F572 AromaticContact CE3-CZ 3.99Å; W525-F572 HydrophobicContact CE3-CZ 3.99Å; F569-F572 HydrophobicContact CB-CB 4.25Å; F569-F572 HydrophobicContact CB-CD2 4.21Å; F569-F572 HydrophobicContact CB-CG 4.37Å; F569-F572 HydrophobicContact CD1-CD1 4.22Å; F569-F572 HydrophobicContact CD1-CD2 4.06Å; F569-F572 HydrophobicContact CD1-CE1 4.46Å; F569-F572 HydrophobicContact CD1-CE2 4.28Å; F569-F572 HydrophobicContact CD1-CG 4.03Å; F569-F572 HydrophobicContact CD1-CZ 4.48Å; F569-F572 VanDerWaalsContact O-CB 3.3Å; F569-F572 WeakPolarHBondContact O-CB 3.35Å; F569-F572 WeakPolarHBondContact O-CD2 3.12Å; F569-F572 PolarHBondContact O-N 3.29Å; V570-F572 VanDerWaalsContact C-N 3.3Å; V570-F572 PolarHBondContact O-N 3.3Å; F572-L608 HydrophobicContact CB-CB 4.42Å; F572-L608 HydrophobicContact CB-CD2 4.48Å; F572-L608 HydrophobicContact CD1-CB 4.11Å; F572-W609 CarbonylContact C-O 3.54Å; F572-W609 VanDerWaalsContact CA-O 3.27Å; F572-W609 WeakPolarHBondContact CA-O 3.36Å; F572-K610 HydrophobicContact CB-CB 4.46Å; F572-K610 HydrophobicContact CD1-CB 3.7Å; F572-K610 HydrophobicContact CD2-CB 4Å; F572-K610 HydrophobicContact CD2-CD 3.69Å; F572-K610 HydrophobicContact CD2-CG 4.47Å; F572-K610 HydrophobicContact CE1-CB 3.83Å; F572-K610 HydrophobicContact CE2-CB 4.13Å; F572-K610 HydrophobicContact CE2-CD 3.72Å; F572-K610 HydrophobicContact CG-CB 3.79Å; F572-K610 HydrophobicContact CG-CD 4.29Å; F572-K610 HydrophobicContact CZ-CB 4.05Å; F572-K610 HydrophobicContact CZ-CD 4.33Å
573K97.4Very high96.4Very high141 Ų14154.2 Ų54.261%0.61329%0.291SS*.EExtended strand (participates in β ladder)trans-126.3150167.2-65-171.3173.7-164.60109.4L608 W609K573-L608 CarbonylContact O-C 3.46Å; K573-L608 WeakPolarHBondContact O-CA 3.31Å; K573-L608 WeakPolarHBondContact O-CB 3.5Å; K573-W609 HydrophobicContact CB-CD2 4.18Å; K573-W609 HydrophobicContact CB-CH2 4.18Å; K573-W609 HydrophobicContact CB-CZ2 3.76Å; K573-W609 HydrophobicContact CD-CZ2 4.35Å; K573-W609 PolarHBondContact N-O 3.22Å; K573-W609 PolarHBondContact O-N 2.71Å
574E97.6Very high96.4Very high40 Ų4053.5 Ų53.519%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-116.4163.9164.1-175.8157.3-139.500108.2R606 L608 Y619E574-R606 VanDerWaalsContact CD-NE 3.33Å; E574-R606 WeakPolarHBondContact OE1-CD 3.37Å; E574-R606 IonicContact OE1-CZ 3.5Å; E574-R606 IonicContact OE1-NE 3.17Å; E574-R606 PolarHBondContact OE1-NE 3Å; E574-R606 IonicContact OE1-NH2 2.62Å; E574-R606 IonicContact OE2-CZ 3.77Å; E574-R606 IonicContact OE2-NE 3.46Å; E574-R606 PolarHBondContact OE2-NE 3.2Å; E574-R606 VanDerWaalsContact OE2-NE 3.15Å; E574-R606 IonicContact OE2-NH2 2.91Å; E574-R606 PolarHBondContact OE2-NH2 2.59Å; E574-L608 HydrophobicContact CB-CD2 4.13Å; E574-L608 HydrophobicContact CB-CG 4.04Å; E574-L608 HydrophobicContact CG-CG 4.42Å; E574-Y619 HydrophobicContact CG-CE1 3.67Å; E574-Y619 PolarHBondContact OE1-OH 3.45Å
575G95.1Very high96.5Very high10 Ų1048.8 Ų48.810%0.10326%0.261CS..  trans-77.4170171.500000112.9
576E95Very high96.4Very high176 Ų17645.6 Ų45.682%0.82224%0.241SC*.  trans-66.3142.7162-168.1169.1174.700109.3Y619E576-Y619 WeakPolarHBondContact O-CD1 3.47Å
577I95.1Very high96.3Very high13 Ų1342 Ų427%0.06723%0.228CC..  trans-10996.7-176-60.9-179.7000108.2F579 W603 Y619I577-F579 HydrophobicContact CG2-CD1 4.16Å; I577-F579 HydrophobicContact CG2-CD2 4.38Å; I577-F579 HydrophobicContact CG2-CE1 4.01Å; I577-F579 HydrophobicContact CG2-CE2 4.25Å; I577-F579 HydrophobicContact CG2-CG 4.34Å; I577-F579 HydrophobicContact CG2-CZ 4.06Å; I577-W603 HydrophobicContact CG2-CD2 4.24Å; I577-W603 HydrophobicContact CG2-CG 4.4Å; I577-W603 HydrophobicContact CG2-CZ2 3.88Å; I577-Y619 HydrophobicContact CD1-CE1 4.39Å; I577-Y619 HydrophobicContact CG1-CD1 4.28Å; I577-Y619 HydrophobicContact CG1-CE1 3.88Å
578D94.4Very high96.1Very high113 Ų11343.3 Ų43.360%0.60425%0.245SC*.  trans-94.81178.166.6-12.8000113.2
579F96.8Very high95.9Very high14 Ų1444.5 Ų44.56%0.06125%0.253CS..SBendtrans-114.7148.8-172.460.2-92.4000113.3I577 T582 W603 Y619 S621 V633I577-F579 HydrophobicContact CG2-CD1 4.16Å; I577-F579 HydrophobicContact CG2-CD2 4.38Å; I577-F579 HydrophobicContact CG2-CE1 4.01Å; I577-F579 HydrophobicContact CG2-CE2 4.25Å; I577-F579 HydrophobicContact CG2-CG 4.34Å; I577-F579 HydrophobicContact CG2-CZ 4.06Å; F579-T582 HydrophobicContact CD2-CG2 4.37Å; F579-T582 HydrophobicContact CE2-CG2 3.95Å; F579-W603 AromaticContact CE2-CD1 3.81Å; F579-W603 PolarHBondContact O-NE1 3.02Å; F579-Y619 AromaticContact CE1-CD1 3.91Å; F579-Y619 HydrophobicContact CE1-CD1 3.91Å; F579-Y619 HydrophobicContact CE1-CD2 4.14Å; F579-Y619 HydrophobicContact CE1-CE1 4.17Å; F579-Y619 HydrophobicContact CE1-CE2 4.37Å; F579-Y619 AromaticContact CE1-CG 3.91Å; F579-Y619 HydrophobicContact CE1-CG 3.91Å; F579-Y619 HydrophobicContact CZ-CD1 4.38Å; F579-Y619 HydrophobicContact CZ-CD2 4.36Å; F579-Y619 HydrophobicContact CZ-CE1 4.2Å; F579-Y619 HydrophobicContact CZ-CE2 4.16Å; F579-Y619 HydrophobicContact CZ-CG 4.48Å; F579-S621 WeakPolarHBondContact CB-OG 3.23Å; F579-S621 WeakPolarHBondContact CD2-OG 3.5Å; F579-V633 HydrophobicContact CE2-CG2 4.48Å; F579-V633 HydrophobicContact CZ-CG1 4.17Å
580Q97.4Very high95.9Very high52 Ų5247.5 Ų47.524%0.24327%0.269CS..  trans-64.2155.7-179.267.6-179.268.100113.4I545 Y550 T582 Y585 M623I545-Q580 HydrophobicContact CG2-CB 4.1Å; Y550-Q580 HydrophobicContact CE1-CB 4Å; Q580-T582 PolarHBondContact O-N 3.06Å; Q580-Y585 PolarHBondContact NE2-OH 2.94Å; Q580-M623 HydrophobicContact CG-SD 4.07Å
581P98.1Very high95.9Very high0 Ų051.1 Ų51.10%028%0.279CS..  trans-47.9137177.5-35.140.3000115.3I545 L553 Y585 W592 P601 W603I545-P581 HydrophobicContact CD1-CG 3.76Å; I545-P581 HydrophobicContact CG1-CG 4.14Å; L553-P581 HydrophobicContact CD2-CG 4.12Å; P581-Y585 WeakPolarHBondContact O-CE2 3.22Å; P581-Y585 PolarHBondContact O-OH 3.31Å; P581-W592 HydrophobicContact CB-CH2 4.14Å; P581-W592 HydrophobicContact CB-CZ3 4.4Å; P581-W592 WeakPolarHBondContact O-CH2 3.36Å; P581-P601 HydrophobicContact CB-CB 3.8Å; P581-P601 HydrophobicContact CG-CB 4.16Å; P581-W603 HydrophobicContact CG-CD2 4.16Å; P581-W603 HydrophobicContact CG-CZ2 4.12Å
582T98Very high96Very high0 Ų051 Ų510%026%0.262CS..  trans-85.7-13.4-171.958.90000113.7F579 Q580 Y585 A602 D605 H630 K631 V633F579-T582 HydrophobicContact CD2-CG2 4.37Å; F579-T582 HydrophobicContact CE2-CG2 3.95Å; Q580-T582 PolarHBondContact O-N 3.06Å; T582-Y585 WeakPolarHBondContact O-CE2 3.43Å; T582-A602 PolarHBondContact N-O 3.18Å; T582-D605 VanDerWaalsContact CB-OD2 3.29Å; T582-D605 WeakPolarHBondContact CB-OD2 2.91Å; T582-D605 HydrophobicContact CG2-CB 4.43Å; T582-D605 PolarHBondContact OG1-N 2.53Å; T582-D605 PolarHBondContact OG1-OD2 3.31Å; T582-H630 CarbonylContact O-C 3.45Å; T582-H630 VanDerWaalsContact O-CA 3.27Å; T582-H630 WeakPolarHBondContact O-CA 3.46Å; T582-K631 PolarHBondContact O-N 3Å; T582-V633 HydrophobicContact CG2-CG2 3.56Å
583Y97.7Very high95.8Very high20 Ų2050.4 Ų50.48%0.07826%0.259CS..BIsolated β-bridgetrans-133.9149.4179.5174.7-95.5000109.3R599 P601 A602 H630Y583-R599 HydrophobicContact CE1-CB 4.3Å; Y583-P601 CarbonylContact O-C 3.51Å; Y583-P601 WeakPolarHBondContact O-CA 3.3Å; Y583-A602 HydrophobicContact CD1-CB 4.47Å; Y583-A602 PolarHBondContact N-O 2.81Å; Y583-A602 VanDerWaalsContact N-O 3.09Å; Y583-A602 PolarHBondContact O-N 2.91Å; Y583-H630 AromaticContact CD2-CD2 3.64Å; Y583-H630 AromaticContact CD2-CE1 3.55Å; Y583-H630 AromaticContact CD2-NE2 3.22Å; Y583-H630 WeakPolarHBondContact CD2-NE2 3.38Å; Y583-H630 AromaticContact CE2-NE2 3.58Å
584K96.6Very high95.4Very high32 Ų3248.9 Ų48.914%0.13926%0.262CS..  cis-113.8135-8.3-179.7175.7157430110D593 R599 D629K584-D593 HydrophobicContact CB-CB 4.07Å; K584-D593 HydrophobicContact CD-CB 3.96Å; K584-D593 WeakPolarHBondContact CE-OD1 3.42Å; K584-D593 HydrophobicContact CG-CB 3.91Å; K584-D593 PolarHBondContact O-N 2.93Å; K584-R599 HydrophobicContact CB-CB 4.2Å; K584-R599 HydrophobicContact CD-CB 4.37Å; K584-R599 HydrophobicContact CD-CG 4.06Å; K584-D629 HydrophobicContact CG-CB 4.14Å; K584-D629 VanDerWaalsContact NZ-CB 3.28Å; K584-D629 IonicContact NZ-OD2 2.7Å; K584-D629 PolarHBondContact NZ-OD2 3Å
585Y96.9Very high95.2Very high0 Ų049.4 Ų49.40%027%0.27CS..BIsolated β-bridgetrans-105.3163.5177-63.8-90.4000112.9Q580 P581 T582 K591 W592 M623 D629 K631Q580-Y585 PolarHBondContact NE2-OH 2.94Å; P581-Y585 WeakPolarHBondContact O-CE2 3.22Å; P581-Y585 PolarHBondContact O-OH 3.31Å; T582-Y585 WeakPolarHBondContact O-CE2 3.43Å; Y585-K591 CarbonylContact C-O 3.58Å; Y585-K591 WeakPolarHBondContact CA-O 3.46Å; Y585-K591 WeakPolarHBondContact CB-O 3.38Å; Y585-K591 WeakPolarHBondContact CD1-O 3.36Å; Y585-W592 HydrophobicContact CD1-CE3 4.33Å; Y585-W592 HydrophobicContact CD1-CZ3 4.44Å; Y585-W592 HydrophobicContact CE1-CD2 4.43Å; Y585-W592 AromaticContact CE1-CE3 3.97Å; Y585-W592 HydrophobicContact CE1-CE3 3.97Å; Y585-W592 AromaticContact CE1-CH2 3.99Å; Y585-W592 HydrophobicContact CE1-CH2 3.99Å; Y585-W592 HydrophobicContact CE1-CZ2 4.41Å; Y585-W592 AromaticContact CE1-CZ3 3.75Å; Y585-W592 HydrophobicContact CE1-CZ3 3.75Å; Y585-W592 HydrophobicContact CE2-CE3 4.48Å; Y585-W592 HydrophobicContact CE2-CH2 4.35Å; Y585-W592 AromaticContact CE2-CZ3 3.8Å; Y585-W592 HydrophobicContact CE2-CZ3 3.8Å; Y585-W592 AromaticContact CZ-CH2 3.57Å; Y585-W592 AromaticContact CZ-CZ3 3.37Å; Y585-W592 WeakPolarHBondContact OH-CH2 3.32Å; Y585-W592 WeakPolarHBondContact OH-CZ3 3.48Å; Y585-M623 HydrophobicContact CE1-CE 3.81Å; Y585-D629 PolarHBondContact N-O 2.92Å; Y585-D629 WeakPolarHBondContact O-CB 3.36Å; Y585-K631 HydrophobicContact CD2-CD 4.37Å; Y585-K631 HydrophobicContact CD2-CG 3.89Å; Y585-K631 HydrophobicContact CE2-CD 4.37Å; Y585-K631 HydrophobicContact CE2-CG 3.52Å
586D95.7Very high94.6Very high36 Ų3658.6 Ų58.619%0.19331%0.31CS..  trans-78.1120.4161.2-73.8-16.1000108.9G588 S589 K591 D593 T594D586-G588 PolarHBondContact O-N 2.86Å; D586-S589 WeakPolarHBondContact O-CB 3.39Å; D586-S589 PolarHBondContact O-N 2.62Å; D586-S589 PolarHBondContact O-OG 3.25Å; D586-K591 HydrophobicContact CB-CB 4.47Å; D586-K591 PolarHBondContact N-O 2.79Å; D586-D593 WeakPolarHBondContact OD1-CA 3.48Å; D586-T594 VanDerWaalsContact CG-OG1 3.31Å; D586-T594 PolarHBondContact OD1-N 2.95Å; D586-T594 PolarHBondContact OD1-OG1 2.71Å; D586-T594 WeakPolarHBondContact OD2-CB 3.32Å; D586-T594 VanDerWaalsContact OD2-CG2 3.25Å; D586-T594 WeakPolarHBondContact OD2-CG2 3.44Å; D586-T594 PolarHBondContact OD2-OG1 2.83Å
587T93.6Very high94.1Very high66 Ų6657.6 Ų57.641%0.40530%0.303SS..THydrogen-bonded Turntrans-51.7130.2-175.6-46.60000112.2Q349 T627Q349-T587 HydrophobicContact CG-CG2 4.47Å; T587-T627 WeakPolarHBondContact CG2-O 3.27Å
588G92.9Very high93.7Very high53 Ų5359.4 Ų59.455%0.54632%0.316SS..THydrogen-bonded Turntrans86.49.1-174.900000114.5D586 R626D586-G588 PolarHBondContact O-N 2.86Å; G588-R626 WeakPolarHBondContact CA-O 3.47Å; G588-R626 PolarHBondContact N-O 3.24Å
589S93.3Very high93.4Very high26 Ų2657 Ų5718%0.18230%0.299CS..SBendtrans-145.7-178.3-176.684.40000114.3D586 K591 K631D586-S589 WeakPolarHBondContact O-CB 3.39Å; D586-S589 PolarHBondContact O-N 2.62Å; D586-S589 PolarHBondContact O-OG 3.25Å; S589-K591 PolarHBondContact OG-N 2.96Å; S589-K591 VanDerWaalsContact OG-N 3.12Å; S589-K631 PolarHBondContact O-NZ 2.93Å
590D95.4Very high93.3Very high64 Ų6458.7 Ų58.734%0.34231%0.308SS..SBendtrans-109.716.3171.3-56.7-40.2000112M623 R626 K631D590-M623 HydrophobicContact CB-CE 3.92Å; D590-R626 IonicContact OD1-CZ 2.61Å; D590-R626 IonicContact OD1-NE 2.75Å; D590-R626 PolarHBondContact OD1-NE 3.22Å; D590-R626 IonicContact OD1-NH2 2.67Å; D590-R626 IonicContact OD2-CZ 3.92Å; D590-R626 VanDerWaalsContact OD2-CZ 3.25Å; D590-R626 IonicContact OD2-NE 3.78Å; D590-R626 PolarHBondContact OD2-NE 2.69Å; D590-R626 IonicContact OD2-NH2 3.98Å; D590-R626 PolarHBondContact OD2-NH2 2.97Å; D590-K631 WeakPolarHBondContact OD1-CE 3.15Å; D590-K631 IonicContact OD1-NZ 2.69Å; D590-K631 PolarHBondContact OD1-NZ 3.24Å
591K95.4Very high93.3Very high144 Ų14456.2 Ų56.263%0.62630%0.296SS*.SBendtrans-86.7141.9176.9-62.1179.8-179.7178.40110.8Y585 D586 S589Y585-K591 CarbonylContact C-O 3.58Å; Y585-K591 WeakPolarHBondContact CA-O 3.46Å; Y585-K591 WeakPolarHBondContact CB-O 3.38Å; Y585-K591 WeakPolarHBondContact CD1-O 3.36Å; D586-K591 HydrophobicContact CB-CB 4.47Å; D586-K591 PolarHBondContact N-O 2.79Å; S589-K591 PolarHBondContact OG-N 2.96Å; S589-K591 VanDerWaalsContact OG-N 3.12Å
592W95.6Very high93.3Very high53 Ų5356.3 Ų56.320%0.20130%0.297CS..BIsolated β-bridgetrans-63.8148.4169.7-57.9114.7000112I545 P581 Y585 T594 P601I545-W592 HydrophobicContact CD1-CH2 4.26Å; I545-W592 HydrophobicContact CD1-CZ2 4Å; I545-W592 HydrophobicContact CG2-CZ2 4.03Å; P581-W592 HydrophobicContact CB-CH2 4.14Å; P581-W592 HydrophobicContact CB-CZ3 4.4Å; P581-W592 WeakPolarHBondContact O-CH2 3.36Å; Y585-W592 HydrophobicContact CD1-CE3 4.33Å; Y585-W592 HydrophobicContact CD1-CZ3 4.44Å; Y585-W592 HydrophobicContact CE1-CD2 4.43Å; Y585-W592 AromaticContact CE1-CE3 3.97Å; Y585-W592 HydrophobicContact CE1-CE3 3.97Å; Y585-W592 AromaticContact CE1-CH2 3.99Å; Y585-W592 HydrophobicContact CE1-CH2 3.99Å; Y585-W592 HydrophobicContact CE1-CZ2 4.41Å; Y585-W592 AromaticContact CE1-CZ3 3.75Å; Y585-W592 HydrophobicContact CE1-CZ3 3.75Å; Y585-W592 HydrophobicContact CE2-CE3 4.48Å; Y585-W592 HydrophobicContact CE2-CH2 4.35Å; Y585-W592 AromaticContact CE2-CZ3 3.8Å; Y585-W592 HydrophobicContact CE2-CZ3 3.8Å; Y585-W592 AromaticContact CZ-CH2 3.57Å; Y585-W592 AromaticContact CZ-CZ3 3.37Å; Y585-W592 WeakPolarHBondContact OH-CH2 3.32Å; Y585-W592 WeakPolarHBondContact OH-CZ3 3.48Å; W592-T594 PolarHBondContact O-N 2.88Å; W592-T594 VanDerWaalsContact O-N 3.11Å; W592-P601 HydrophobicContact CD2-CG 3.9Å; W592-P601 HydrophobicContact CE3-CB 3.97Å; W592-P601 HydrophobicContact CE3-CG 3.68Å; W592-P601 HydrophobicContact CH2-CB 4.05Å; W592-P601 HydrophobicContact CH2-CG 4.37Å; W592-P601 HydrophobicContact CZ3-CB 3.68Å; W592-P601 HydrophobicContact CZ3-CG 3.93Å
593D93.3Very high93.3Very high6 Ų656.3 Ų56.33%0.03230%0.297CS..  trans-37.8108.2177.7-179.427.5000114.2K584 D586 S595 R599K584-D593 HydrophobicContact CB-CB 4.07Å; K584-D593 HydrophobicContact CD-CB 3.96Å; K584-D593 WeakPolarHBondContact CE-OD1 3.42Å; K584-D593 HydrophobicContact CG-CB 3.91Å; K584-D593 PolarHBondContact O-N 2.93Å; D586-D593 WeakPolarHBondContact OD1-CA 3.48Å; D593-S595 WeakPolarHBondContact OD1-CB 3.46Å; D593-S595 PolarHBondContact OD1-N 3.04Å; D593-S595 VanDerWaalsContact OD1-N 3.08Å; D593-S595 PolarHBondContact OD1-OG 2.94Å; D593-S595 PolarHBondContact OD2-OG 3.49Å; D593-R599 WeakPolarHBondContact OD2-CB 3.46Å; D593-R599 VanDerWaalsContact OD2-CG 3.3Å; D593-R599 WeakPolarHBondContact OD2-CG 3.22Å; D593-R599 PolarHBondContact OD2-N 2.84Å
594T90.8Very high93.3Very high109 Ų10955.3 Ų55.367%0.66929%0.293SS*.  trans-93.35.517560.90000113.6D586 W592D586-T594 VanDerWaalsContact CG-OG1 3.31Å; D586-T594 PolarHBondContact OD1-N 2.95Å; D586-T594 PolarHBondContact OD1-OG1 2.71Å; D586-T594 WeakPolarHBondContact OD2-CB 3.32Å; D586-T594 VanDerWaalsContact OD2-CG2 3.25Å; D586-T594 WeakPolarHBondContact OD2-CG2 3.44Å; D586-T594 PolarHBondContact OD2-OG1 2.83Å; W592-T594 PolarHBondContact O-N 2.88Å; W592-T594 VanDerWaalsContact O-N 3.11Å
595S91.6Very high93.4Very high51 Ų5153.8 Ų53.836%0.35729%0.286SS..SBendtrans-67.2164.2175.377.30000112.7D593 K597 C598D593-S595 WeakPolarHBondContact OD1-CB 3.46Å; D593-S595 PolarHBondContact OD1-N 3.04Å; D593-S595 VanDerWaalsContact OD1-N 3.08Å; D593-S595 PolarHBondContact OD1-OG 2.94Å; D593-S595 PolarHBondContact OD2-OG 3.49Å; S595-K597 PolarHBondContact O-N 2.79Å; S595-K597 PolarHBondContact OG-N 2.71Å; S595-C598 PolarHBondContact O-N 3.12Å
596E83Confident93.4Very high203 Ų20353.8 Ų53.895%0.94929%0.286SS*.THydrogen-bonded Turntrans-52.4-17.4174.7-59.3176.616400114.3
597K84.1Confident93.6Very high154 Ų15452.1 Ų52.167%0.6728%0.277SS*.THydrogen-bonded Turntrans-92.9-9.3-179.6-63.8176.4-176.2171.30113.7S595 R599S595-K597 PolarHBondContact O-N 2.79Å; S595-K597 PolarHBondContact OG-N 2.71Å; K597-R599 VanDerWaalsContact C-N 3.3Å; K597-R599 PolarHBondContact O-N 2.87Å
598C87.3Confident93.8Very high51 Ų5149 Ų4935%0.34526%0.258SS..  trans22.463.4178-1600000113.9S595 I600S595-C598 PolarHBondContact O-N 3.12Å; C598-I600 PolarHBondContact O-N 2.86Å
599R88.8Confident94.1Very high64 Ų6447.3 Ų47.324%0.24224%0.235CC..PPolyproline II helixtrans-62.1134-168.9-65.8-64.5-157.3155.49.8111.1Y583 K584 D593 K597Y583-R599 HydrophobicContact CE1-CB 4.3Å; K584-R599 HydrophobicContact CB-CB 4.2Å; K584-R599 HydrophobicContact CD-CB 4.37Å; K584-R599 HydrophobicContact CD-CG 4.06Å; D593-R599 WeakPolarHBondContact OD2-CB 3.46Å; D593-R599 VanDerWaalsContact OD2-CG 3.3Å; D593-R599 WeakPolarHBondContact OD2-CG 3.22Å; D593-R599 PolarHBondContact OD2-N 2.84Å; K597-R599 VanDerWaalsContact C-N 3.3Å; K597-R599 PolarHBondContact O-N 2.87Å
600I94.3Very high94.2Very high49 Ų4949.5 Ų49.525%0.25124%0.242SC..PPolyproline II helixtrans-56.1129.7168.8-58.7167.8000108.7I533 V538 V541 C598I533-I600 HydrophobicContact CB-CG2 4.32Å; V538-I600 HydrophobicContact CB-CG1 4.42Å; V538-I600 HydrophobicContact CG2-CD1 4.47Å; V538-I600 HydrophobicContact CG2-CG1 3.51Å; V541-I600 HydrophobicContact CB-CG2 4.11Å; V541-I600 HydrophobicContact CG1-CG2 4.1Å; V541-I600 HydrophobicContact CG2-CG2 3.8Å; C598-I600 PolarHBondContact O-N 2.86Å
601P97Very high94.2Very high0 Ų048.3 Ų48.30%025%0.245CC..PPolyproline II helixtrans-58.1143.5174.7-26.935.4000113.2I533 V541 K542 I545 P581 Y583 W592I533-P601 VanDerWaalsContact CG1-O 3.3Å; I533-P601 WeakPolarHBondContact CG1-O 3.49Å; V541-P601 HydrophobicContact CG1-CB 4.07Å; V541-P601 HydrophobicContact CG1-CG 4.1Å; K542-P601 HydrophobicContact CG-CG 4.49Å; I545-P601 HydrophobicContact CD1-CB 3.76Å; I545-P601 HydrophobicContact CD1-CG 3.99Å; P581-P601 HydrophobicContact CB-CB 3.8Å; P581-P601 HydrophobicContact CG-CB 4.16Å; Y583-P601 CarbonylContact O-C 3.51Å; Y583-P601 WeakPolarHBondContact O-CA 3.3Å; W592-P601 HydrophobicContact CD2-CG 3.9Å; W592-P601 HydrophobicContact CE3-CB 3.97Å; W592-P601 HydrophobicContact CE3-CG 3.68Å; W592-P601 HydrophobicContact CH2-CB 4.05Å; W592-P601 HydrophobicContact CH2-CG 4.37Å; W592-P601 HydrophobicContact CZ3-CB 3.68Å; W592-P601 HydrophobicContact CZ3-CG 3.93Å
602A97.3Very high93.9Very high1 Ų149.9 Ų49.91%0.00825%0.251CS..BIsolated β-bridgetrans-149.8151.8-178.800000113.2R532 T582 Y583 C604R532-A602 HydrophobicContact CB-CB 4.41Å; T582-A602 PolarHBondContact N-O 3.18Å; Y583-A602 HydrophobicContact CD1-CB 4.47Å; Y583-A602 PolarHBondContact N-O 2.81Å; Y583-A602 VanDerWaalsContact N-O 3.09Å; Y583-A602 PolarHBondContact O-N 2.91Å; A602-C604 VanDerWaalsContact C-N 3.3Å; A602-C604 PolarHBondContact O-N 2.8Å
603W98.4Very high93.7Very high0 Ų051.2 Ų51.20%026%0.263CS..  trans-8573.8167.5-65.5-77.3000109.9I533 Y550 L553 H554 I577 F579 P581 R606I533-W603 HydrophobicContact CD1-CE3 3.88Å; I533-W603 HydrophobicContact CD1-CZ3 3.83Å; Y550-W603 HydrophobicContact CD1-CH2 4.34Å; Y550-W603 AromaticContact CD1-CZ2 3.87Å; Y550-W603 HydrophobicContact CD1-CZ2 3.87Å; Y550-W603 HydrophobicContact CG-CZ2 4.31Å; L553-W603 HydrophobicContact CB-CH2 3.96Å; L553-W603 HydrophobicContact CB-CZ3 4.28Å; L553-W603 HydrophobicContact CD2-CH2 3.71Å; L553-W603 HydrophobicContact CD2-CZ2 4.37Å; L553-W603 HydrophobicContact CD2-CZ3 4.06Å; L553-W603 HydrophobicContact CG-CH2 3.74Å; L553-W603 HydrophobicContact CG-CZ3 3.77Å; H554-W603 HydrophobicContact CB-CH2 4.24Å; H554-W603 HydrophobicContact CB-CZ3 4.08Å; I577-W603 HydrophobicContact CG2-CD2 4.24Å; I577-W603 HydrophobicContact CG2-CG 4.4Å; I577-W603 HydrophobicContact CG2-CZ2 3.88Å; F579-W603 AromaticContact CE2-CD1 3.81Å; F579-W603 PolarHBondContact O-NE1 3.02Å; P581-W603 HydrophobicContact CG-CD2 4.16Å; P581-W603 HydrophobicContact CG-CZ2 4.12Å; W603-R606 VanDerWaalsContact O-CD 3.31Å; W603-R606 WeakPolarHBondContact O-CD 3.49Å; W603-R606 PolarHBondContact O-NH1 3.24Å
604C97.9Very high93.8Very high0 Ų052.3 Ų52.30%027%0.268CS..  trans-70.5-39.1178.3-69.80000112.2D528 L529 N530 A602D528-C604 CarbonylContact C-O 3.31Å; D528-C604 WeakPolarHBondContact OD1-CB 3.4Å; L529-C604 PolarHBondContact N-O 2.88Å; N530-C604 PolarHBondContact N-O 2.89Å; A602-C604 VanDerWaalsContact C-N 3.3Å; A602-C604 PolarHBondContact O-N 2.8Å
605D98.3Very high94Very high0 Ų053.6 Ų53.60%027%0.267CS..EExtended strand (participates in β ladder)trans-92113.9-171.9-50.7-95.7000110.1T343 G527 T582 H630 V633T343-D605 HydrophobicContact CG2-CB 4.1Å; G527-D605 WeakPolarHBondContact O-CA 3.23Å; T582-D605 VanDerWaalsContact CB-OD2 3.29Å; T582-D605 WeakPolarHBondContact CB-OD2 2.91Å; T582-D605 HydrophobicContact CG2-CB 4.43Å; T582-D605 PolarHBondContact OG1-N 2.53Å; T582-D605 PolarHBondContact OG1-OD2 3.31Å; D605-H630 IonicContact OD1-CE1 2.68Å; D605-H630 IonicContact OD1-CG 2.65Å; D605-H630 IonicContact OD1-ND1 2.66Å; D605-H630 PolarHBondContact OD1-ND1 3.39Å; D605-H630 VanDerWaalsContact OD1-ND1 3.15Å; D605-H630 IonicContact OD2-CE1 2.65Å; D605-H630 IonicContact OD2-CG 3.11Å; D605-H630 IonicContact OD2-ND1 3.63Å; D605-H630 PolarHBondContact OD2-ND1 2.89Å; D605-V633 HydrophobicContact CB-CG2 3.8Å
606R98.4Very high94.3Very high0 Ų053.4 Ų53.40%026%0.26CS..EExtended strand (participates in β ladder)trans-135155.9-166.3-55-67.8-91.7-91.61.8113.4I526 G527 L529 D557 L559 E574 W603 L608 Y619I526-R606 WeakPolarHBondContact CA-O 3.15Å; G527-R606 PolarHBondContact N-O 2.85Å; G527-R606 VanDerWaalsContact N-O 3.1Å; G527-R606 PolarHBondContact O-N 3.26Å; L529-R606 HydrophobicContact CD1-CB 3.8Å; L529-R606 HydrophobicContact CD1-CG 4.4Å; L529-R606 HydrophobicContact CG-CB 4.03Å; L529-R606 HydrophobicContact CG-CG 4.47Å; D557-R606 VanDerWaalsContact CG-NH1 3.32Å; D557-R606 IonicContact OD1-CZ 2.62Å; D557-R606 IonicContact OD1-NH1 3.76Å; D557-R606 PolarHBondContact OD1-NH1 3.22Å; D557-R606 IonicContact OD1-NH2 3.49Å; D557-R606 IonicContact OD2-CZ 3.97Å; D557-R606 IonicContact OD2-NH1 2.86Å; D557-R606 PolarHBondContact OD2-NH1 2.94Å; D557-R606 VanDerWaalsContact OD2-NH1 3.17Å; D557-R606 IonicContact OD2-NH2 3.84Å; D557-R606 PolarHBondContact OD2-NH2 3.19Å; L559-R606 HydrophobicContact CD2-CB 4.27Å; L559-R606 HydrophobicContact CD2-CG 3.97Å; E574-R606 VanDerWaalsContact CD-NE 3.33Å; E574-R606 WeakPolarHBondContact OE1-CD 3.37Å; E574-R606 IonicContact OE1-CZ 3.5Å; E574-R606 IonicContact OE1-NE 3.17Å; E574-R606 PolarHBondContact OE1-NE 3Å; E574-R606 IonicContact OE1-NH2 2.62Å; E574-R606 IonicContact OE2-CZ 3.77Å; E574-R606 IonicContact OE2-NE 3.46Å; E574-R606 PolarHBondContact OE2-NE 3.2Å; E574-R606 VanDerWaalsContact OE2-NE 3.15Å; E574-R606 IonicContact OE2-NH2 2.91Å; E574-R606 PolarHBondContact OE2-NH2 2.59Å; W603-R606 VanDerWaalsContact O-CD 3.31Å; W603-R606 WeakPolarHBondContact O-CD 3.49Å; W603-R606 PolarHBondContact O-NH1 3.24Å; R606-L608 HydrophobicContact CB-CD1 3.98Å; R606-Y619 WeakPolarHBondContact CA-OH 3.35Å
607I98.5Very high94.8Very high0 Ų048.1 Ų48.10%024%0.235CC..EExtended strand (participates in β ladder)trans-135.9114.4-179.3-58.2-179.2000109.7L341 T343 I526 Y619 V633L341-I607 HydrophobicContact CB-CD1 4.11Å; L341-I607 HydrophobicContact CB-CG2 3.85Å; L341-I607 HydrophobicContact CD1-CG2 3.46Å; L341-I607 VanDerWaalsContact CD1-CG2 3.46Å; L341-I607 HydrophobicContact CG-CG2 4.3Å; T343-I607 HydrophobicContact CG2-CG1 4.13Å; I526-I607 HydrophobicContact CG2-CB 4.39Å; I526-I607 HydrophobicContact CG2-CG1 4.02Å; I526-I607 HydrophobicContact CG2-CG2 4.04Å; I607-Y619 HydrophobicContact CB-CD2 4.46Å; I607-Y619 HydrophobicContact CB-CE2 3.68Å; I607-Y619 HydrophobicContact CD1-CE2 4.11Å; I607-Y619 HydrophobicContact CG1-CE2 3.95Å; I607-Y619 PolarHBondContact N-OH 2.77Å; I607-V633 HydrophobicContact CD1-CG1 4.01Å; I607-V633 HydrophobicContact CG1-CG1 4.4Å
608L98.4Very high95.2Very high0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-126152.8-179.5-61.293.9000111.2W525 L529 L559 I563 F569 F572 K573 E574 R606W525-L608 PolarHBondContact N-O 3.19Å; W525-L608 PolarHBondContact O-N 3.29Å; W525-L608 VanDerWaalsContact O-O 3.1Å; L529-L608 HydrophobicContact CD1-CD1 3.58Å; L559-L608 HydrophobicContact CD2-CD1 4.13Å; L559-L608 HydrophobicContact CD2-CD2 4.49Å; I563-L608 HydrophobicContact CD1-CD2 3.75Å; F569-L608 HydrophobicContact CB-CD2 4.43Å; F569-L608 HydrophobicContact CD1-CD2 4.27Å; F569-L608 HydrophobicContact CG-CD2 4.28Å; F572-L608 HydrophobicContact CB-CB 4.42Å; F572-L608 HydrophobicContact CB-CD2 4.48Å; F572-L608 HydrophobicContact CD1-CB 4.11Å; K573-L608 CarbonylContact O-C 3.46Å; K573-L608 WeakPolarHBondContact O-CA 3.31Å; K573-L608 WeakPolarHBondContact O-CB 3.5Å; E574-L608 HydrophobicContact CB-CD2 4.13Å; E574-L608 HydrophobicContact CB-CG 4.04Å; E574-L608 HydrophobicContact CG-CG 4.42Å; R606-L608 HydrophobicContact CB-CD1 3.98Å
609W98.3Very high95.7Very high18 Ų1840.9 Ų40.97%0.06820%0.198CC..EExtended strand (participates in β ladder)trans-138.8153.5177.468.597.3000113.1V523 L524 F572 K573 I614 Q616 L637V523-W609 CarbonylContact O-C 3.48Å; V523-W609 WeakPolarHBondContact O-CA 3.35Å; L524-W609 HydrophobicContact CD2-CB 3.78Å; F572-W609 CarbonylContact C-O 3.54Å; F572-W609 VanDerWaalsContact CA-O 3.27Å; F572-W609 WeakPolarHBondContact CA-O 3.36Å; K573-W609 HydrophobicContact CB-CD2 4.18Å; K573-W609 HydrophobicContact CB-CH2 4.18Å; K573-W609 HydrophobicContact CB-CZ2 3.76Å; K573-W609 HydrophobicContact CD-CZ2 4.35Å; K573-W609 PolarHBondContact N-O 3.22Å; K573-W609 PolarHBondContact O-N 2.71Å; W609-I614 HydrophobicContact CG-CG2 4.04Å; W609-Q616 HydrophobicContact CH2-CB 4.05Å; W609-Q616 HydrophobicContact CH2-CG 4.41Å; W609-Q616 HydrophobicContact CZ2-CB 4.28Å; W609-L637 HydrophobicContact CB-CD1 4.12Å; W609-L637 HydrophobicContact CD2-CD1 4.38Å; W609-L637 HydrophobicContact CD2-CD2 4.36Å; W609-L637 HydrophobicContact CE3-CD2 4.28Å; W609-L637 HydrophobicContact CG-CD1 4.21Å; W609-L637 HydrophobicContact CZ3-CD2 4.49Å
610K97.2Very high96Very high72 Ų7240.8 Ų40.831%0.31320%0.2SC..EExtended strand (participates in β ladder)trans-137.3125174.7-178.5162.5-171.4173.30110.1V522 V523 V570 G571 F572V522-K610 WeakPolarHBondContact CA-O 3.31Å; V523-K610 HydrophobicContact CB-CB 4.36Å; V523-K610 PolarHBondContact N-O 2.85Å; V523-K610 PolarHBondContact O-N 2.73Å; V570-K610 PolarHBondContact O-NZ 2.84Å; G571-K610 WeakPolarHBondContact O-CD 3.24Å; G571-K610 WeakPolarHBondContact O-CE 3.4Å; G571-K610 VanDerWaalsContact O-CG 3.3Å; G571-K610 WeakPolarHBondContact O-CG 3.35Å; F572-K610 HydrophobicContact CB-CB 4.46Å; F572-K610 HydrophobicContact CD1-CB 3.7Å; F572-K610 HydrophobicContact CD2-CB 4Å; F572-K610 HydrophobicContact CD2-CD 3.69Å; F572-K610 HydrophobicContact CD2-CG 4.47Å; F572-K610 HydrophobicContact CE1-CB 3.83Å; F572-K610 HydrophobicContact CE2-CB 4.13Å; F572-K610 HydrophobicContact CE2-CD 3.72Å; F572-K610 HydrophobicContact CG-CB 3.79Å; F572-K610 HydrophobicContact CG-CD 4.29Å; F572-K610 HydrophobicContact CZ-CB 4.05Å; F572-K610 HydrophobicContact CZ-CD 4.33Å
611G93.6Very high96.2Very high40 Ų4039.4 Ų39.441%0.41219%0.194SC..EExtended strand (participates in β ladder)trans165-172.3-178.600000112.2N521N521-G611 WeakPolarHBondContact O-CA 3.4Å
612K89.8Confident96.1Very high176 Ų17640.2 Ų40.277%0.76520%0.198SC*.SBendtrans-114158.9170-64.1-171.2178.7-172.30109.4I614K612-I614 VanDerWaalsContact C-N 3.33Å; K612-I614 PolarHBondContact O-N 2.86Å
613N91.4Very high96.1Very high82 Ų8242.2 Ų42.244%0.43921%0.208SC..SBendtrans59.142.5177.5-49.5-2000112.2F334 G640F334-N613 VanDerWaalsContact CD1-ND2 3.32Å; F334-N613 WeakPolarHBondContact CD1-ND2 3.41Å; F334-N613 WeakPolarHBondContact CE1-ND2 3.45Å; F334-N613 WeakPolarHBondContact CE2-ND2 3.29Å; F334-N613 WeakPolarHBondContact CG-ND2 3.49Å; F334-N613 VanDerWaalsContact CZ-ND2 3.27Å; F334-N613 WeakPolarHBondContact CZ-ND2 3.42Å; N613-G640 PolarHBondContact O-N 3.2Å
614I95.4Very high95.8Very high28 Ų2847 Ų4714%0.14423%0.234CC..EExtended strand (participates in β ladder)trans-120.4121.9175.8-60162.4000107.7V522 W609 K612 L637 V638 I639V522-I614 HydrophobicContact CG1-CD1 4Å; V522-I614 HydrophobicContact CG2-CD1 4.32Å; W609-I614 HydrophobicContact CG-CG2 4.04Å; K612-I614 VanDerWaalsContact C-N 3.33Å; K612-I614 PolarHBondContact O-N 2.86Å; I614-L637 HydrophobicContact CG2-CB 4.18Å; I614-L637 HydrophobicContact CG2-CD1 4.02Å; I614-L637 HydrophobicContact CG2-CD2 4.3Å; I614-L637 HydrophobicContact CG2-CG 4.41Å; I614-V638 WeakPolarHBondContact CA-O 3.21Å; I614-I639 HydrophobicContact CG1-CD1 4.38Å; I614-I639 HydrophobicContact CG1-CG1 4.17Å; I614-I639 HydrophobicContact CG1-CG2 4.08Å; I614-I639 HydrophobicContact CG2-CG1 4.25Å
615Q96Very high95.5Very high137 Ų13747.1 Ų47.164%0.6423%0.234SC*.EExtended strand (participates in β ladder)trans-116.9137.3172.4176.4174.4-11.200108.7L637 V638Q615-L637 CarbonylContact O-C 3.45Å; Q615-L637 WeakPolarHBondContact O-CA 3.38Å; Q615-V638 PolarHBondContact N-O 3.22Å; Q615-V638 PolarHBondContact O-N 2.86Å
616Q96.3Very high95.4Very high47 Ų4750.5 Ų50.522%0.2225%0.247CC..EExtended strand (participates in β ladder)trans-92.5135.4173.8-174.1174.65300109.4W609 H618 S635 L637W609-Q616 HydrophobicContact CH2-CB 4.05Å; W609-Q616 HydrophobicContact CH2-CG 4.41Å; W609-Q616 HydrophobicContact CZ2-CB 4.28Å; Q616-H618 WeakPolarHBondContact CG-O 3.12Å; Q616-S635 WeakPolarHBondContact CG-OG 3.19Å; Q616-S635 PolarHBondContact NE2-OG 3.37Å; Q616-L637 HydrophobicContact CB-CD2 3.71Å; Q616-L637 HydrophobicContact CG-CD2 3.82Å
617E94.2Very high95.1Very high91 Ų9150.7 Ų50.743%0.42525%0.248SC..EExtended strand (participates in β ladder)trans-97.1-33.1174.8-68.3-176.2143.800112.2R338 L636 V638R338-E617 IonicContact CZ-OE1 3.62Å; R338-E617 IonicContact CZ-OE2 3.89Å; R338-E617 IonicContact NE-OE1 3.78Å; R338-E617 IonicContact NE-OE2 2.78Å; R338-E617 PolarHBondContact NE-OE2 3.32Å; R338-E617 VanDerWaalsContact NH2-CD 3.31Å; R338-E617 IonicContact NH2-OE1 2.74Å; R338-E617 PolarHBondContact NH2-OE1 3Å; R338-E617 VanDerWaalsContact NH2-OE1 3.14Å; R338-E617 IonicContact NH2-OE2 3.62Å; R338-E617 PolarHBondContact NH2-OE2 3.46Å; E617-L636 HydrophobicContact CB-CB 4.47Å; E617-L636 PolarHBondContact N-O 2.62Å; E617-L636 WeakPolarHBondContact OE2-CD2 3.32Å; E617-L636 WeakPolarHBondContact OE2-CG 3.41Å; E617-V638 HydrophobicContact CG-CG2 3.81Å; E617-V638 WeakPolarHBondContact OE1-CG2 3.42Å
618H92.7Very high94.9Very high44 Ų4450.7 Ų50.720%0.20425%0.248CC..EExtended strand (participates in β ladder)trans-159.7163.3171.367.8-96.9000111.8Q616 K620 S635 L636Q616-H618 WeakPolarHBondContact CG-O 3.12Å; H618-K620 WeakPolarHBondContact NE2-CE 2.88Å; H618-S635 VanDerWaalsContact O-CA 3.23Å; H618-S635 WeakPolarHBondContact O-CA 3.43Å; H618-S635 WeakPolarHBondContact O-CB 3.27Å; H618-S635 PolarHBondContact O-OG 2.71Å; H618-L636 WeakPolarHBondContact CE1-CB 3.46Å; H618-L636 PolarHBondContact O-N 2.84Å
619Y97.4Very high94.8Very high9 Ų951.2 Ų51.24%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-141.1125.3168.9-170.1-159.2000106.5E574 E576 I577 F579 R606 I607 V633 S634E574-Y619 HydrophobicContact CG-CE1 3.67Å; E574-Y619 PolarHBondContact OE1-OH 3.45Å; E576-Y619 WeakPolarHBondContact O-CD1 3.47Å; I577-Y619 HydrophobicContact CD1-CE1 4.39Å; I577-Y619 HydrophobicContact CG1-CD1 4.28Å; I577-Y619 HydrophobicContact CG1-CE1 3.88Å; F579-Y619 AromaticContact CE1-CD1 3.91Å; F579-Y619 HydrophobicContact CE1-CD1 3.91Å; F579-Y619 HydrophobicContact CE1-CD2 4.14Å; F579-Y619 HydrophobicContact CE1-CE1 4.17Å; F579-Y619 HydrophobicContact CE1-CE2 4.37Å; F579-Y619 AromaticContact CE1-CG 3.91Å; F579-Y619 HydrophobicContact CE1-CG 3.91Å; F579-Y619 HydrophobicContact CZ-CD1 4.38Å; F579-Y619 HydrophobicContact CZ-CD2 4.36Å; F579-Y619 HydrophobicContact CZ-CE1 4.2Å; F579-Y619 HydrophobicContact CZ-CE2 4.16Å; F579-Y619 HydrophobicContact CZ-CG 4.48Å; R606-Y619 WeakPolarHBondContact CA-OH 3.35Å; I607-Y619 HydrophobicContact CB-CD2 4.46Å; I607-Y619 HydrophobicContact CB-CE2 3.68Å; I607-Y619 HydrophobicContact CD1-CE2 4.11Å; I607-Y619 HydrophobicContact CG1-CE2 3.95Å; I607-Y619 PolarHBondContact N-OH 2.77Å; Y619-V633 HydrophobicContact CD2-CG1 3.92Å; Y619-V633 HydrophobicContact CE2-CG1 3.47Å; Y619-V633 VanDerWaalsContact CE2-CG1 3.47Å; Y619-S634 WeakPolarHBondContact CA-O 2.96Å
620K96.2Very high94.7Very high62 Ų6250.6 Ų50.627%0.2725%0.249SC..EExtended strand (participates in β ladder)trans-158.4144.8-174.266.9-163.4-177.9-172.60114C361 H618 H622 V633 S634C361-K620 PolarHBondContact O-NZ 3.11Å; C361-K620 WeakPolarHBondContact SG-CE 3.4Å; C361-K620 PolarHBondContact SG-NZ 2.82Å; C361-K620 VanDerWaalsContact SG-NZ 3.42Å; H618-K620 WeakPolarHBondContact NE2-CE 2.88Å; K620-H622 PolarHBondContact O-CD2 3.44Å; K620-V633 CarbonylContact O-C 3.54Å; K620-V633 WeakPolarHBondContact O-CA 3.43Å; K620-S634 PolarHBondContact N-O 3.47Å; K620-S634 PolarHBondContact O-N 2.77Å
621S97.3Very high94.7Very high20 Ų2047.2 Ų47.214%0.1423%0.234CC..EExtended strand (participates in β ladder)trans-85.4153.8164.665.30000112.2F579 P632F579-S621 WeakPolarHBondContact CB-OG 3.23Å; F579-S621 WeakPolarHBondContact CD2-OG 3.5Å; S621-P632 CarbonylContact C-O 3.44Å; S621-P632 WeakPolarHBondContact CA-O 3.35Å
622H96.2Very high94.9Very high17 Ų1745.3 Ų45.38%0.07921%0.214CC..  trans-116.386.5-176.9-61.5-99.6000111.3P357 W358 K620 D624 V625 P632 S634P357-H622 PolarHBondContact O-ND1 3.14Å; W358-H622 HydrophobicContact CB-CB 4.39Å; W358-H622 AromaticContact CD1-CD2 3.45Å; W358-H622 VanDerWaalsContact CD1-CD2 3.45Å; W358-H622 AromaticContact CD1-CG 3.97Å; W358-H622 AromaticContact CD1-NE2 3.53Å; K620-H622 PolarHBondContact O-CD2 3.44Å; H622-D624 PolarHBondContact O-N 3.03Å; H622-D624 VanDerWaalsContact O-N 3.16Å; H622-V625 HydrophobicContact CB-CG2 4.4Å; H622-V625 PolarHBondContact O-N 2.94Å; H622-P632 HydrophobicContact CB-CG 4.19Å; H622-P632 PolarHBondContact CD2-O 3.03Å; H622-P632 PolarHBondContact N-O 2.63Å; H622-S634 PolarHBondContact NE2-OG 3.16Å
623M95.6Very high95.3Very high43 Ų4337 Ų3721%0.21218%0.178CC..THydrogen-bonded Turntrans-57.4-29.3-178.5-68.2-59.1-65.600113.4Q580 Y585 D590 V625 K631Q580-M623 HydrophobicContact CG-SD 4.07Å; Y585-M623 HydrophobicContact CE1-CE 3.81Å; D590-M623 HydrophobicContact CB-CE 3.92Å; M623-V625 PolarHBondContact O-N 3.47Å; M623-K631 PolarHBondContact O-NZ 2.7Å; M623-K631 HydrophobicContact SD-CD 4.22Å; M623-K631 HydrophobicContact SD-CG 3.87Å
624D92.7Very high95.6Very high102 Ų10233 Ų3355%0.54516%0.157SC..THydrogen-bonded Turntrans-66.7-16.4-177.5-79.3-45.1000115.4P357 H622 R626P357-D624 HydrophobicContact CB-CB 4.34Å; H622-D624 PolarHBondContact O-N 3.03Å; H622-D624 VanDerWaalsContact O-N 3.16Å; D624-R626 VanDerWaalsContact CA-NH1 3.32Å; D624-R626 PolarHBondContact O-NH1 3.46Å; D624-R626 IonicContact OD1-CZ 3.92Å; D624-R626 IonicContact OD1-NH1 2.77Å; D624-R626 PolarHBondContact OD1-NH1 2.91Å; D624-R626 VanDerWaalsContact OD1-NH1 3.14Å; D624-R626 IonicContact OD1-NH2 2.81Å; D624-R626 PolarHBondContact OD1-NH2 3.13Å; D624-R626 VanDerWaalsContact OD1-NH2 3.08Å
625V92.6Very high95.7Very high1 Ų131.7 Ų31.71%0.00615%0.15CC..  trans-88122.3170-169.60000108.4Y344 E353 W358 H622 M623 K631 P632Y344-V625 HydrophobicContact CE1-CG1 3.81Å; Y344-V625 WeakPolarHBondContact OH-CG1 3.12Å; E353-V625 HydrophobicContact CG-CG1 4.33Å; E353-V625 WeakPolarHBondContact OE1-CG1 3.48Å; W358-V625 HydrophobicContact CB-CG2 4.32Å; H622-V625 HydrophobicContact CB-CG2 4.4Å; H622-V625 PolarHBondContact O-N 2.94Å; M623-V625 PolarHBondContact O-N 3.47Å; V625-K631 WeakPolarHBondContact O-CD 3.44Å; V625-K631 PolarHBondContact O-NZ 3.42Å; V625-P632 HydrophobicContact CB-CG 3.56Å; V625-P632 HydrophobicContact CG1-CG 3.85Å; V625-P632 HydrophobicContact CG2-CG 3.72Å
626R94.7Very high95.7Very high72 Ų7225.3 Ų25.327%0.27212%0.12SC..  trans-1261.4-169.7-62.7174.7178.590.23.9113.3E353 G588 D590 D624 S628E353-R626 PolarHBondContact OE1-N 2.72Å; E353-R626 PolarHBondContact OE2-N 2.79Å; G588-R626 WeakPolarHBondContact CA-O 3.47Å; G588-R626 PolarHBondContact N-O 3.24Å; D590-R626 IonicContact OD1-CZ 2.61Å; D590-R626 IonicContact OD1-NE 2.75Å; D590-R626 PolarHBondContact OD1-NE 3.22Å; D590-R626 IonicContact OD1-NH2 2.67Å; D590-R626 IonicContact OD2-CZ 3.92Å; D590-R626 VanDerWaalsContact OD2-CZ 3.25Å; D590-R626 IonicContact OD2-NE 3.78Å; D590-R626 PolarHBondContact OD2-NE 2.69Å; D590-R626 IonicContact OD2-NH2 3.98Å; D590-R626 PolarHBondContact OD2-NH2 2.97Å; D624-R626 VanDerWaalsContact CA-NH1 3.32Å; D624-R626 PolarHBondContact O-NH1 3.46Å; D624-R626 IonicContact OD1-CZ 3.92Å; D624-R626 IonicContact OD1-NH1 2.77Å; D624-R626 PolarHBondContact OD1-NH1 2.91Å; D624-R626 VanDerWaalsContact OD1-NH1 3.14Å; D624-R626 IonicContact OD1-NH2 2.81Å; D624-R626 PolarHBondContact OD1-NH2 3.13Å; D624-R626 VanDerWaalsContact OD1-NH2 3.08Å; R626-S628 VanDerWaalsContact C-N 3.28Å; R626-S628 PolarHBondContact O-N 3.3Å
627T92.6Very high95.7Very high3 Ų323 Ų232%0.01811%0.11CC..SBendtrans-56.8-37-177.6-72.70000113.4Q349 T350 K352 E353 W396 T587Q349-T627 HydrophobicContact CB-CG2 3.68Å; Q349-T627 HydrophobicContact CG-CG2 4.48Å; Q349-T627 WeakPolarHBondContact CG-O 3.42Å; T350-T627 VanDerWaalsContact O-CG2 3.27Å; T350-T627 WeakPolarHBondContact O-CG2 3.33Å; K352-T627 PolarHBondContact N-OG1 2.85Å; E353-T627 WeakPolarHBondContact OE1-CA 3.37Å; E353-T627 WeakPolarHBondContact OE1-CB 3.13Å; E353-T627 PolarHBondContact OE1-N 2.78Å; E353-T627 PolarHBondContact OE1-OG1 2.94Å; W396-T627 HydrophobicContact CH2-CG2 4.34Å; W396-T627 HydrophobicContact CZ2-CG2 4.29Å; T587-T627 WeakPolarHBondContact CG2-O 3.27Å
628S94.9Very high95.7Very high0 Ų019.9 Ų19.90%010%0.097CC..SBendtrans-104.9177.6-175.5-169.80000112.6Y344 N345 R626 H630Y344-S628 WeakPolarHBondContact OH-CB 3.19Å; Y344-S628 PolarHBondContact OH-N 3.02Å; N345-S628 WeakPolarHBondContact O-CB 3.49Å; N345-S628 PolarHBondContact O-OG 3.15Å; R626-S628 VanDerWaalsContact C-N 3.28Å; R626-S628 PolarHBondContact O-N 3.3Å; S628-H630 PolarHBondContact OG-N 2.9Å
629D95.6Very high95.8Very high11 Ų1117.8 Ų17.86%0.0599%0.087CC..SBendtrans-89.7-5.1162.566.9-34.3000113.7N347 K584 Y585N347-D629 VanDerWaalsContact CB-OD1 3.29Å; N347-D629 WeakPolarHBondContact CB-OD1 3.23Å; N347-D629 PolarHBondContact ND2-OD1 2.87Å; N347-D629 PolarHBondContact ND2-OD2 3.42Å; K584-D629 HydrophobicContact CG-CB 4.14Å; K584-D629 VanDerWaalsContact NZ-CB 3.28Å; K584-D629 IonicContact NZ-OD2 2.7Å; K584-D629 PolarHBondContact NZ-OD2 3Å; Y585-D629 PolarHBondContact N-O 2.92Å; Y585-D629 WeakPolarHBondContact O-CB 3.36Å
630H97.5Very high95.5Very high6 Ų617.8 Ų17.83%0.0289%0.089CC..SBendtrans-97.8164.3162.8-74.4-117.4000111N345 D528 T582 Y583 D605 S628N345-H630 HydrophobicContact CB-CB 4.09Å; N345-H630 PolarHBondContact ND2-NE2 3.29Å; D528-H630 IonicContact OD2-CE1 3.24Å; D528-H630 PolarHBondContact OD2-CE1 3.02Å; D528-H630 IonicContact OD2-NE2 2.79Å; T582-H630 CarbonylContact O-C 3.45Å; T582-H630 VanDerWaalsContact O-CA 3.27Å; T582-H630 WeakPolarHBondContact O-CA 3.46Å; Y583-H630 AromaticContact CD2-CD2 3.64Å; Y583-H630 AromaticContact CD2-CE1 3.55Å; Y583-H630 AromaticContact CD2-NE2 3.22Å; Y583-H630 WeakPolarHBondContact CD2-NE2 3.38Å; Y583-H630 AromaticContact CE2-NE2 3.58Å; D605-H630 IonicContact OD1-CE1 2.68Å; D605-H630 IonicContact OD1-CG 2.65Å; D605-H630 IonicContact OD1-ND1 2.66Å; D605-H630 PolarHBondContact OD1-ND1 3.39Å; D605-H630 VanDerWaalsContact OD1-ND1 3.15Å; D605-H630 IonicContact OD2-CE1 2.65Å; D605-H630 IonicContact OD2-CG 3.11Å; D605-H630 IonicContact OD2-ND1 3.63Å; D605-H630 PolarHBondContact OD2-ND1 2.89Å; S628-H630 PolarHBondContact OG-N 2.9Å
631K97.1Very high94.9Very high1 Ų114.8 Ų14.80%0.0048%0.077CC..  trans-109.8135.5168.5-60.8-59.6-166.5176.40110.6T582 Y585 S589 D590 M623 V625T582-K631 PolarHBondContact O-N 3Å; Y585-K631 HydrophobicContact CD2-CD 4.37Å; Y585-K631 HydrophobicContact CD2-CG 3.89Å; Y585-K631 HydrophobicContact CE2-CD 4.37Å; Y585-K631 HydrophobicContact CE2-CG 3.52Å; S589-K631 PolarHBondContact O-NZ 2.93Å; D590-K631 WeakPolarHBondContact OD1-CE 3.15Å; D590-K631 IonicContact OD1-NZ 2.69Å; D590-K631 PolarHBondContact OD1-NZ 3.24Å; M623-K631 PolarHBondContact O-NZ 2.7Å; M623-K631 HydrophobicContact SD-CD 4.22Å; M623-K631 HydrophobicContact SD-CG 3.87Å; V625-K631 WeakPolarHBondContact O-CD 3.44Å; V625-K631 PolarHBondContact O-NZ 3.42Å
632P96.8Very high94Very high0 Ų016.5 Ų16.50%08%0.081CC..  trans-64.8148.3175.814.1-13.8000111.1T343 Y344 W358 S621 H622 V625T343-P632 WeakPolarHBondContact O-CA 3.48Å; Y344-P632 HydrophobicContact CD1-CB 4Å; Y344-P632 HydrophobicContact CD1-CG 4.11Å; Y344-P632 HydrophobicContact CD2-CB 3.85Å; Y344-P632 HydrophobicContact CD2-CG 4.07Å; Y344-P632 HydrophobicContact CE1-CG 4.12Å; Y344-P632 HydrophobicContact CE2-CB 4.39Å; Y344-P632 HydrophobicContact CE2-CG 4.09Å; Y344-P632 HydrophobicContact CG-CB 3.66Å; Y344-P632 HydrophobicContact CG-CG 4.1Å; W358-P632 HydrophobicContact CD2-CB 3.69Å; W358-P632 HydrophobicContact CD2-CG 4.34Å; W358-P632 HydrophobicContact CE3-CB 4.14Å; W358-P632 HydrophobicContact CG-CB 3.95Å; W358-P632 HydrophobicContact CG-CG 4.35Å; W358-P632 HydrophobicContact CZ2-CB 4.14Å; S621-P632 CarbonylContact C-O 3.44Å; S621-P632 WeakPolarHBondContact CA-O 3.35Å; H622-P632 HydrophobicContact CB-CG 4.19Å; H622-P632 PolarHBondContact CD2-O 3.03Å; H622-P632 PolarHBondContact N-O 2.63Å; V625-P632 HydrophobicContact CB-CG 3.56Å; V625-P632 HydrophobicContact CG1-CG 3.85Å; V625-P632 HydrophobicContact CG2-CG 3.72Å
633V98.1Very high93Very high0 Ų017.3 Ų17.30%08%0.084CC..EExtended strand (participates in β ladder)trans-120.6144.8178-1770000109.2G342 T343 W358 F579 T582 D605 I607 Y619 K620G342-V633 VanDerWaalsContact CA-O 3.27Å; G342-V633 WeakPolarHBondContact CA-O 2.98Å; T343-V633 HydrophobicContact CG2-CB 4.03Å; T343-V633 PolarHBondContact N-O 3.09Å; T343-V633 PolarHBondContact O-N 3.37Å; W358-V633 PolarHBondContact NE1-O 2.62Å; F579-V633 HydrophobicContact CE2-CG2 4.48Å; F579-V633 HydrophobicContact CZ-CG1 4.17Å; T582-V633 HydrophobicContact CG2-CG2 3.56Å; D605-V633 HydrophobicContact CB-CG2 3.8Å; I607-V633 HydrophobicContact CD1-CG1 4.01Å; I607-V633 HydrophobicContact CG1-CG1 4.4Å; Y619-V633 HydrophobicContact CD2-CG1 3.92Å; Y619-V633 HydrophobicContact CE2-CG1 3.47Å; Y619-V633 VanDerWaalsContact CE2-CG1 3.47Å; K620-V633 CarbonylContact O-C 3.54Å; K620-V633 WeakPolarHBondContact O-CA 3.43Å
634S97.3Very high91.6Very high0 Ų017.4 Ų17.40%09%0.087CC..EExtended strand (participates in β ladder)trans-132.1154168.973.30000112.9L341 Y619 K620 H622L341-S634 CarbonylContact O-C 3.56Å; L341-S634 WeakPolarHBondContact O-CA 3.23Å; Y619-S634 WeakPolarHBondContact CA-O 2.96Å; K620-S634 PolarHBondContact N-O 3.47Å; K620-S634 PolarHBondContact O-N 2.77Å; H622-S634 PolarHBondContact NE2-OG 3.16Å
635S97.4Very high90.5Very high0 Ų015.4 Ų15.40%08%0.076CC..EExtended strand (participates in β ladder)trans-140.2142.5164.2-174.70000110.2L341 Q616 H618L341-S635 PolarHBondContact N-O 3.11Å; L341-S635 PolarHBondContact O-N 2.99Å; Q616-S635 WeakPolarHBondContact CG-OG 3.19Å; Q616-S635 PolarHBondContact NE2-OG 3.37Å; H618-S635 VanDerWaalsContact O-CA 3.23Å; H618-S635 WeakPolarHBondContact O-CA 3.43Å; H618-S635 WeakPolarHBondContact O-CB 3.27Å; H618-S635 PolarHBondContact O-OG 2.71Å
636L95.8Very high88.9Confident2 Ų219.1 Ų19.11%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-108.6121.2173.8-174.256.3000109R338 F340 T362 P366 E617 H618R338-L636 HydrophobicContact CB-CD1 4.18Å; F340-L636 HydrophobicContact CB-CD1 4.27Å; T362-L636 HydrophobicContact CG2-CD2 3.88Å; P366-L636 HydrophobicContact CB-CD1 4.14Å; P366-L636 HydrophobicContact CG-CD1 3.92Å; E617-L636 HydrophobicContact CB-CB 4.47Å; E617-L636 PolarHBondContact N-O 2.62Å; E617-L636 WeakPolarHBondContact OE2-CD2 3.32Å; E617-L636 WeakPolarHBondContact OE2-CG 3.41Å; H618-L636 WeakPolarHBondContact CE1-CB 3.46Å; H618-L636 PolarHBondContact O-N 2.84Å
637L96.8Very high87.6Confident0 Ų021.8 Ų21.80%012%0.12CC..EExtended strand (participates in β ladder)trans-111.8128.5179.9-57.3-176.8000109.9F339 L341 L524 W609 I614 Q615 Q616 I639F339-L637 HydrophobicContact CB-CB 4.4Å; F339-L637 PolarHBondContact N-O 3.23Å; F339-L637 PolarHBondContact O-N 2.86Å; L341-L637 HydrophobicContact CD1-CD1 3.56Å; L341-L637 HydrophobicContact CD1-CG 4.26Å; L341-L637 HydrophobicContact CG-CD1 4.3Å; L524-L637 HydrophobicContact CD2-CD1 3.9Å; W609-L637 HydrophobicContact CB-CD1 4.12Å; W609-L637 HydrophobicContact CD2-CD1 4.38Å; W609-L637 HydrophobicContact CD2-CD2 4.36Å; W609-L637 HydrophobicContact CE3-CD2 4.28Å; W609-L637 HydrophobicContact CG-CD1 4.21Å; W609-L637 HydrophobicContact CZ3-CD2 4.49Å; I614-L637 HydrophobicContact CG2-CB 4.18Å; I614-L637 HydrophobicContact CG2-CD1 4.02Å; I614-L637 HydrophobicContact CG2-CD2 4.3Å; I614-L637 HydrophobicContact CG2-CG 4.41Å; Q615-L637 CarbonylContact O-C 3.45Å; Q615-L637 WeakPolarHBondContact O-CA 3.38Å; Q616-L637 HydrophobicContact CB-CD2 3.71Å; Q616-L637 HydrophobicContact CG-CD2 3.82Å; L637-I639 HydrophobicContact CB-CD1 4.2Å; L637-I639 HydrophobicContact CB-CG1 3.98Å; L637-I639 HydrophobicContact CD1-CD1 4.45Å
638V95.1Very high86.1Confident25 Ų2522.7 Ų22.715%0.15213%0.127CC..EExtended strand (participates in β ladder)trans-88.1117.7165.3178.60000107.6I614 Q615 E617I614-V638 WeakPolarHBondContact CA-O 3.21Å; Q615-V638 PolarHBondContact N-O 3.22Å; Q615-V638 PolarHBondContact O-N 2.86Å; E617-V638 HydrophobicContact CG-CG2 3.81Å; E617-V638 WeakPolarHBondContact OE1-CG2 3.42Å
639I94.2Very high84.4Confident0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-118.5125.8-173.3-53.5-167.1000110.1D337 F339 V522 L524 I614 L637 I641D337-I639 PolarHBondContact N-O 2.85Å; D337-I639 PolarHBondContact O-N 2.76Å; F339-I639 HydrophobicContact CB-CD1 3.92Å; F339-I639 HydrophobicContact CB-CG1 4.3Å; F339-I639 HydrophobicContact CD1-CD1 4Å; F339-I639 HydrophobicContact CD2-CB 3.78Å; F339-I639 HydrophobicContact CD2-CD1 3.65Å; F339-I639 HydrophobicContact CD2-CG1 3.69Å; F339-I639 HydrophobicContact CE1-CD1 4.38Å; F339-I639 HydrophobicContact CE2-CB 3.83Å; F339-I639 HydrophobicContact CE2-CD1 4.09Å; F339-I639 HydrophobicContact CE2-CG1 4.19Å; F339-I639 HydrophobicContact CE2-CG2 4.39Å; F339-I639 HydrophobicContact CG-CD1 3.6Å; F339-I639 HydrophobicContact CG-CG1 4.08Å; F339-I639 HydrophobicContact CZ-CD1 4.42Å; V522-I639 HydrophobicContact CG1-CD1 4.19Å; V522-I639 HydrophobicContact CG2-CG2 4.14Å; L524-I639 HydrophobicContact CD1-CD1 4.07Å; L524-I639 HydrophobicContact CD2-CD1 4.1Å; I614-I639 HydrophobicContact CG1-CD1 4.38Å; I614-I639 HydrophobicContact CG1-CG1 4.17Å; I614-I639 HydrophobicContact CG1-CG2 4.08Å; I614-I639 HydrophobicContact CG2-CG1 4.25Å; L637-I639 HydrophobicContact CB-CD1 4.2Å; L637-I639 HydrophobicContact CB-CG1 3.98Å; L637-I639 HydrophobicContact CD1-CD1 4.45Å; I639-I641 HydrophobicContact CB-CD1 4.47Å; I639-I641 HydrophobicContact CG2-CD1 3.77Å; I639-I641 HydrophobicContact CG2-CG1 4.49Å; I639-I641 PolarHBondContact O-N 2.88Å
640G90.4Very high82.7Confident8 Ų832 Ų328%0.08217%0.165CC..EExtended strand (participates in β ladder)trans-73.5103.5173.100000111.7F334 F335 N613F334-G640 WeakPolarHBondContact CD1-O 3.43Å; F335-G640 CarbonylContact O-C 3.51Å; F335-G640 WeakPolarHBondContact O-CA 3.41Å; N613-G640 PolarHBondContact O-N 3.2Å
641I83.6Confident81.1Confident0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-94.6135.1178.4-58.6-59000110.8F334 F335 D337 F339 F470 H471 I475 I639 R643F334-I641 WeakPolarHBondContact CA-O 3.3Å; F335-I641 PolarHBondContact N-O 2.87Å; F335-I641 PolarHBondContact O-N 2.88Å; D337-I641 HydrophobicContact CB-CG1 4.09Å; D337-I641 WeakPolarHBondContact OD2-CB 3.35Å; D337-I641 VanDerWaalsContact OD2-CG1 3.3Å; D337-I641 WeakPolarHBondContact OD2-CG1 3.25Å; F339-I641 HydrophobicContact CE2-CD1 4.04Å; F339-I641 HydrophobicContact CE2-CG1 4.22Å; F339-I641 HydrophobicContact CZ-CD1 4.02Å; F470-I641 HydrophobicContact CD1-CB 4.38Å; F470-I641 HydrophobicContact CD1-CD1 3.96Å; F470-I641 HydrophobicContact CD1-CG1 3.77Å; F470-I641 HydrophobicContact CD1-CG2 3.81Å; F470-I641 HydrophobicContact CE1-CB 4.46Å; F470-I641 HydrophobicContact CE1-CG1 3.89Å; F470-I641 HydrophobicContact CE1-CG2 4.14Å; F470-I641 HydrophobicContact CG-CG2 4.32Å; H471-I641 HydrophobicContact CB-CG2 4.03Å; I475-I641 HydrophobicContact CD1-CD1 3.87Å; I639-I641 HydrophobicContact CB-CD1 4.47Å; I639-I641 HydrophobicContact CG2-CD1 3.77Å; I639-I641 HydrophobicContact CG2-CG1 4.49Å; I639-I641 PolarHBondContact O-N 2.88Å; I641-R643 PolarHBondContact O-N 3.02Å
642K80.2Confident79.3Confident56 Ų5640 Ų4024%0.24320%0.203CC..EExtended strand (participates in β ladder)trans-77.2110.8-178.7-67.2178.7-176.5171.70111.7Y332 F334 H471 N472 S473Y332-K642 HydrophobicContact CD1-CB 4.46Å; F334-K642 HydrophobicContact CD1-CG 3.99Å; F334-K642 HydrophobicContact CE1-CD 4.35Å; F334-K642 HydrophobicContact CE1-CG 3.42Å; F334-K642 VanDerWaalsContact CE1-CG 3.42Å; F334-K642 HydrophobicContact CZ-CG 3.95Å; H471-K642 WeakPolarHBondContact CB-O 3.38Å; N472-K642 HydrophobicContact CB-CB 3.86Å; N472-K642 WeakPolarHBondContact CB-O 3.38Å; N472-K642 PolarHBondContact N-O 3.12Å; N472-K642 PolarHBondContact ND2-O 2.6Å; S473-K642 PolarHBondContact OG-N 2.88Å; S473-K642 VanDerWaalsContact OG-N 3.13Å
643R74.6Confident77.3Confident34 Ų3442.7 Ų42.713%0.12821%0.214CC..EExtended strand (participates in β ladder)trans-108.3146.8174.7-59.5-168-178.4-178.60.3110.2Y332 Y333 F335 D337 H471 I641Y332-R643 WeakPolarHBondContact CA-O 3.41Å; Y333-R643 HydrophobicContact CD1-CB 4.42Å; Y333-R643 HydrophobicContact CD2-CB 4.4Å; Y333-R643 HydrophobicContact CE1-CB 3.88Å; Y333-R643 HydrophobicContact CE2-CB 3.84Å; Y333-R643 HydrophobicContact CE2-CG 4.5Å; Y333-R643 PolarHBondContact N-O 2.96Å; Y333-R643 PolarHBondContact O-N 3.08Å; F335-R643 HydrophobicContact CB-CG 4.1Å; D337-R643 IonicContact OD1-CZ 3.1Å; D337-R643 IonicContact OD1-NH2 2.72Å; D337-R643 PolarHBondContact OD1-NH2 2.9Å; D337-R643 IonicContact OD2-CZ 3.67Å; D337-R643 IonicContact OD2-NE 2.64Å; D337-R643 IonicContact OD2-NH2 2.69Å; D337-R643 PolarHBondContact OD2-NH2 2.79Å; H471-R643 HydrophobicContact CB-CG 4.21Å; H471-R643 PolarHBondContact NE2-NE 3.46Å; I641-R643 PolarHBondContact O-N 3.02Å
644V66.8Low75.5Confident45 Ų4546 Ų4627%0.27323%0.23SC..EExtended strand (participates in β ladder)trans-76.6133178.7-171.30000108.7Y332 Y333 N472 P646 Y649Y332-V644 HydrophobicContact CD1-CG2 4.46Å; Y332-V644 HydrophobicContact CE1-CG2 4.09Å; Y333-V644 WeakPolarHBondContact CE1-O 3.48Å; N472-V644 WeakPolarHBondContact ND2-CG2 3.17Å; V644-P646 WeakPolarHBondContact O-CD 3.05Å; V644-Y649 HydrophobicContact CG1-CD2 4.1Å; V644-Y649 HydrophobicContact CG1-CG 4.15Å
645N68.1Low73.8Confident59 Ų5951 Ų5132%0.31625%0.253SS..  trans-73.6116.3166.4178.3-26.7000109.1D331 Y333 D647 A648 Y649D331-N645 WeakPolarHBondContact O-CB 3.4Å; D331-N645 PolarHBondContact O-N 3.14Å; Y333-N645 HydrophobicContact CD1-CB 4.25Å; N645-D647 PolarHBondContact O-N 2.72Å; N645-D647 PolarHBondContact OD1-N 3.01Å; N645-D647 VanDerWaalsContact OD1-N 3.07Å; N645-A648 HydrophobicContact CB-CB 3.85Å; N645-A648 PolarHBondContact OD1-N 2.65Å; N645-A648 VanDerWaalsContact OD1-N 3.15Å; N645-Y649 WeakPolarHBondContact O-CB 3.13Å; N645-Y649 PolarHBondContact O-N 2.87Å
646P60.5Low71.8Confident80 Ų8052.1 Ų52.152%0.51926%0.259SS..Hα-helixtrans-62.3-40.5-175.7-22.734.5000113.7V644 K650V644-P646 WeakPolarHBondContact O-CD 3.05Å; P646-K650 WeakPolarHBondContact O-CB 3.43Å; P646-K650 PolarHBondContact O-N 2.77Å
647D66.2Low69.8Low128 Ų12852.7 Ų52.768%0.68426%0.263SS*.Hα-helixtrans-73.6-39.4-176.4-59.5-55.3000111.5N645 K650 K651N645-D647 PolarHBondContact O-N 2.72Å; N645-D647 PolarHBondContact OD1-N 3.01Å; N645-D647 VanDerWaalsContact OD1-N 3.07Å; D647-K650 PolarHBondContact O-N 3.41Å; D647-K651 WeakPolarHBondContact O-CB 3.27Å; D647-K651 PolarHBondContact O-N 2.81Å
648A61.9Low68.2Low21 Ų2160.2 Ų60.217%0.17429%0.291CS..Hα-helixtrans-65.8-46.3174.100000111.1D331 N645 K650 K651 T652D331-A648 HydrophobicContact CB-CB 4.27Å; D331-A648 WeakPolarHBondContact OD1-CB 3.27Å; N645-A648 HydrophobicContact CB-CB 3.85Å; N645-A648 PolarHBondContact OD1-N 2.65Å; N645-A648 VanDerWaalsContact OD1-N 3.15Å; A648-K650 VanDerWaalsContact C-N 3.34Å; A648-K650 PolarHBondContact O-N 2.87Å; A648-K651 PolarHBondContact O-N 2.94Å; A648-T652 PolarHBondContact O-N 2.8Å; A648-T652 PolarHBondContact O-OG1 3.11Å; A648-T652 VanDerWaalsContact O-OG1 3.11Å
649Y59.5Low66.5Low105 Ų10562.2 Ų62.241%0.41230%0.301SS..Hα-helixtrans-57.5-45.1174.4177.7-88.9000112I325 V644 N645 K651 T652 F653I325-Y649 HydrophobicContact CG2-CE2 3.88Å; V644-Y649 HydrophobicContact CG1-CD2 4.1Å; V644-Y649 HydrophobicContact CG1-CG 4.15Å; N645-Y649 WeakPolarHBondContact O-CB 3.13Å; N645-Y649 PolarHBondContact O-N 2.87Å; Y649-K651 PolarHBondContact O-N 2.73Å; Y649-T652 PolarHBondContact O-N 2.99Å; Y649-F653 VanDerWaalsContact O-CB 3.29Å; Y649-F653 WeakPolarHBondContact O-CB 3.4Å; Y649-F653 PolarHBondContact O-N 2.68Å
650K58.6Low64.6Low101 Ų10163.9 Ų63.944%0.43931%0.309SS..Hα-helixtrans-59.1-47.2175.9177.5175.6171.8174.50111.4P646 D647 A648 F653 E654P646-K650 WeakPolarHBondContact O-CB 3.43Å; P646-K650 PolarHBondContact O-N 2.77Å; D647-K650 PolarHBondContact O-N 3.41Å; A648-K650 VanDerWaalsContact C-N 3.34Å; A648-K650 PolarHBondContact O-N 2.87Å; K650-F653 PolarHBondContact O-N 3.04Å; K650-E654 WeakPolarHBondContact CE-OE1 3.41Å; K650-E654 IonicContact NZ-OE1 2.7Å; K650-E654 WeakPolarHBondContact O-CG 3.22Å; K650-E654 PolarHBondContact O-N 2.87Å
651K65Low63.1Low145 Ų14565.9 Ų65.963%0.6332%0.318SS*.Hα-helixtrans-61-48.6177.9-174.5-171.2172.2-167.20111.8D647 A648 Y649 F653 E654 E655D647-K651 WeakPolarHBondContact O-CB 3.27Å; D647-K651 PolarHBondContact O-N 2.81Å; A648-K651 PolarHBondContact O-N 2.94Å; Y649-K651 PolarHBondContact O-N 2.73Å; K651-F653 VanDerWaalsContact C-N 3.28Å; K651-F653 PolarHBondContact O-N 2.83Å; K651-E654 PolarHBondContact O-N 2.85Å; K651-E655 WeakPolarHBondContact O-CB 3.39Å; K651-E655 PolarHBondContact O-N 2.82Å
652T58.2Low62.3Low31 Ų3171.3 Ų71.319%0.1934%0.342CS..Hα-helixtrans-61.3-37.3177.9-59.90000111.5D331 A648 Y649 I656D331-T652 PolarHBondContact OD2-OG1 2.91Å; D331-T652 VanDerWaalsContact OD2-OG1 3.12Å; A648-T652 PolarHBondContact O-N 2.8Å; A648-T652 PolarHBondContact O-OG1 3.11Å; A648-T652 VanDerWaalsContact O-OG1 3.11Å; Y649-T652 PolarHBondContact O-N 2.99Å; T652-I656 HydrophobicContact CG2-CD1 4.16Å; T652-I656 WeakPolarHBondContact O-CG1 3.43Å; T652-I656 PolarHBondContact O-N 2.94Å; T652-I656 VanDerWaalsContact O-N 3.12Å
653F55.2Low61.5Low57 Ų5770.9 Ų70.925%0.2534%0.341CS..Hα-helixtrans-66.7-49.4174.3-179.4-93.6000112.2L120 Y649 K650 K651 E655 I656 V657L120-F653 HydrophobicContact CD2-CE2 4.47Å; L120-F653 HydrophobicContact CD2-CZ 3.96Å; Y649-F653 VanDerWaalsContact O-CB 3.29Å; Y649-F653 WeakPolarHBondContact O-CB 3.4Å; Y649-F653 PolarHBondContact O-N 2.68Å; K650-F653 PolarHBondContact O-N 3.04Å; K651-F653 VanDerWaalsContact C-N 3.28Å; K651-F653 PolarHBondContact O-N 2.83Å; F653-E655 VanDerWaalsContact C-N 3.3Å; F653-E655 PolarHBondContact O-N 2.94Å; F653-I656 PolarHBondContact O-N 2.99Å; F653-I656 VanDerWaalsContact O-N 3.15Å; F653-V657 HydrophobicContact CD1-CG2 4.19Å; F653-V657 HydrophobicContact CE1-CG2 3.77Å; F653-V657 HydrophobicContact CE2-CG2 4.49Å; F653-V657 HydrophobicContact CZ-CG2 3.94Å; F653-V657 WeakPolarHBondContact O-CG2 3.39Å; F653-V657 PolarHBondContact O-N 3.2Å
654E59.6Low60.9Low69 Ų6970.6 Ų70.632%0.32234%0.341SS..Hα-helixtrans-58.6-40.3176.2-75.7-177-149.400112.3K650 K651 I656 V657 R658K650-E654 WeakPolarHBondContact CE-OE1 3.41Å; K650-E654 IonicContact NZ-OE1 2.7Å; K650-E654 WeakPolarHBondContact O-CG 3.22Å; K650-E654 PolarHBondContact O-N 2.87Å; K651-E654 PolarHBondContact O-N 2.85Å; E654-I656 VanDerWaalsContact C-N 3.34Å; E654-V657 PolarHBondContact O-N 2.86Å; E654-R658 WeakPolarHBondContact O-CG 3.34Å; E654-R658 PolarHBondContact O-N 3.42Å; E654-R658 IonicContact OE2-CZ 2.83Å; E654-R658 IonicContact OE2-NH2 2.81Å; E654-R658 PolarHBondContact OE2-NH2 3.34Å
655E61.5Low61Low105 Ų10573.9 Ų73.949%0.49136%0.357SS..Hα-helixtrans-64.7-38.2176.8-171.5173153.200111.8K651 F653 N659K651-E655 WeakPolarHBondContact O-CB 3.39Å; K651-E655 PolarHBondContact O-N 2.82Å; F653-E655 VanDerWaalsContact C-N 3.3Å; F653-E655 PolarHBondContact O-N 2.94Å; E655-N659 WeakPolarHBondContact O-CB 3.22Å; E655-N659 PolarHBondContact O-N 2.99Å; E655-N659 PolarHBondContact O-ND2 2.65Å
656I55.9Low61.1Low23 Ų2375.3 Ų75.312%0.11836%0.362CS..Hα-helixtrans-72.1-39.3177.3-71.6170.4000111.8I325 T652 F653 E654 N659 I660I325-I656 HydrophobicContact CD1-CD1 3.93Å; I325-I656 HydrophobicContact CD1-CG2 4.37Å; I325-I656 HydrophobicContact CG1-CD1 3.43Å; I325-I656 VanDerWaalsContact CG1-CD1 3.43Å; T652-I656 HydrophobicContact CG2-CD1 4.16Å; T652-I656 WeakPolarHBondContact O-CG1 3.43Å; T652-I656 PolarHBondContact O-N 2.94Å; T652-I656 VanDerWaalsContact O-N 3.12Å; F653-I656 PolarHBondContact O-N 2.99Å; F653-I656 VanDerWaalsContact O-N 3.15Å; E654-I656 VanDerWaalsContact C-N 3.34Å; I656-N659 PolarHBondContact O-N 3.22Å; I656-I660 HydrophobicContact CG2-CD1 4.03Å; I656-I660 WeakPolarHBondContact O-CG1 3.26Å; I656-I660 PolarHBondContact O-N 3.19Å
657V53.6Low61.5Low15 Ų1572.5 Ų72.59%0.09134%0.344CS..Hα-helixtrans-59.9-48.8172.8174.10000110.5L120 F653 E654 N659 I660 D661L120-V657 HydrophobicContact CD1-CG1 4.43Å; L120-V657 HydrophobicContact CD1-CG2 4.31Å; F653-V657 HydrophobicContact CD1-CG2 4.19Å; F653-V657 HydrophobicContact CE1-CG2 3.77Å; F653-V657 HydrophobicContact CE2-CG2 4.49Å; F653-V657 HydrophobicContact CZ-CG2 3.94Å; F653-V657 WeakPolarHBondContact O-CG2 3.39Å; F653-V657 PolarHBondContact O-N 3.2Å; E654-V657 PolarHBondContact O-N 2.86Å; V657-N659 VanDerWaalsContact C-N 3.27Å; V657-N659 PolarHBondContact O-N 2.66Å; V657-I660 WeakPolarHBondContact O-CB 3.26Å; V657-I660 PolarHBondContact O-N 3.33Å; V657-D661 PolarHBondContact O-N 3.3Å
658R63.4Low62Low157 Ų15769.9 Ų69.959%0.59233%0.329SS*.Hα-helixtrans-60-35.1176.8-67.5169.9-154.8-178.16.9113.1E654 K662E654-R658 WeakPolarHBondContact O-CG 3.34Å; E654-R658 PolarHBondContact O-N 3.42Å; E654-R658 IonicContact OE2-CZ 2.83Å; E654-R658 IonicContact OE2-NH2 2.81Å; E654-R658 PolarHBondContact OE2-NH2 3.34Å; R658-K662 VanDerWaalsContact O-CB 3.23Å; R658-K662 WeakPolarHBondContact O-CB 3.15Å; R658-K662 PolarHBondContact O-N 2.61Å
659N59.2Low63.1Low68 Ų6869.7 Ų69.736%0.36433%0.326SS..Hα-helixtrans-71.3-34.8175.5-78.7-51.5000112.3E655 I656 V657 M663E655-N659 WeakPolarHBondContact O-CB 3.22Å; E655-N659 PolarHBondContact O-N 2.99Å; E655-N659 PolarHBondContact O-ND2 2.65Å; I656-N659 PolarHBondContact O-N 3.22Å; V657-N659 VanDerWaalsContact C-N 3.27Å; V657-N659 PolarHBondContact O-N 2.66Å; N659-M663 WeakPolarHBondContact O-CB 3.25Å; N659-M663 VanDerWaalsContact O-CG 3.3Å; N659-M663 WeakPolarHBondContact O-CG 3.19Å; N659-M663 PolarHBondContact O-N 2.93Å
660I54.3Low64.5Low35 Ų3565.8 Ų65.818%0.17932%0.315CS..Hα-helixtrans-66.1-53.8171.5-67.3163.3000109.7I656 V657 K662 M663 E664I656-I660 HydrophobicContact CG2-CD1 4.03Å; I656-I660 WeakPolarHBondContact O-CG1 3.26Å; I656-I660 PolarHBondContact O-N 3.19Å; V657-I660 WeakPolarHBondContact O-CB 3.26Å; V657-I660 PolarHBondContact O-N 3.33Å; I660-K662 PolarHBondContact O-N 2.98Å; I660-M663 PolarHBondContact O-N 2.82Å; I660-E664 HydrophobicContact CG2-CG 4.25Å; I660-E664 VanDerWaalsContact CG2-OE1 3.32Å; I660-E664 WeakPolarHBondContact CG2-OE1 3.43Å; I660-E664 WeakPolarHBondContact O-CG 3.12Å; I660-E664 PolarHBondContact O-N 2.67Å
661D58.7Low66.1Low49 Ų4961.2 Ų61.226%0.26230%0.295SS..Hα-helixtrans-54.1-41178-63.4-33.8000111.3S116 V657 E664 N665S116-D661 WeakPolarHBondContact CB-OD1 3.44Å; S116-D661 PolarHBondContact OG-OD1 3.28Å; V657-D661 PolarHBondContact O-N 3.3Å; D661-E664 PolarHBondContact O-N 3.15Å; D661-N665 PolarHBondContact O-N 2.75Å; D661-N665 VanDerWaalsContact O-N 3.11Å; D661-N665 PolarHBondContact O-ND2 3.03Å
662K67.4Low67.6Low114 Ų11457 Ų5750%0.49628%0.283SS..Hα-helixtrans-61.6-51.6174.6179.8-175.5164.8-174.80111.6R658 I660 E664 N665 E666R658-K662 VanDerWaalsContact O-CB 3.23Å; R658-K662 WeakPolarHBondContact O-CB 3.15Å; R658-K662 PolarHBondContact O-N 2.61Å; I660-K662 PolarHBondContact O-N 2.98Å; K662-E664 VanDerWaalsContact C-N 3.26Å; K662-E664 PolarHBondContact O-N 2.97Å; K662-N665 PolarHBondContact O-N 2.8Å; K662-E666 WeakPolarHBondContact CE-OE1 3.4Å; K662-E666 IonicContact NZ-OE1 3.73Å; K662-E666 PolarHBondContact NZ-OE1 2.97Å; K662-E666 WeakPolarHBondContact O-CG 3.29Å; K662-E666 PolarHBondContact O-N 2.92Å
663M62.6Low69.4Low47 Ų4756.6 Ų56.623%0.23228%0.28CS..Hα-helixtrans-62.5-34179.8-74.3179.471.900112.1Y314 F317 N659 I660 E666 C667Y314-M663 HydrophobicContact CD2-CE 3.73Å; Y314-M663 HydrophobicContact CE2-CE 3.83Å; F317-M663 HydrophobicContact CD1-CE 4.05Å; F317-M663 HydrophobicContact CD1-SD 3.77Å; F317-M663 HydrophobicContact CE1-CE 4.3Å; F317-M663 HydrophobicContact CE1-SD 3.4Å; F317-M663 WeakPolarHBondContact CE1-SD 3.21Å; F317-M663 HydrophobicContact CE2-SD 4.2Å; F317-M663 HydrophobicContact CG-CE 4.33Å; F317-M663 HydrophobicContact CG-SD 4.33Å; F317-M663 HydrophobicContact CZ-SD 3.64Å; N659-M663 WeakPolarHBondContact O-CB 3.25Å; N659-M663 VanDerWaalsContact O-CG 3.3Å; N659-M663 WeakPolarHBondContact O-CG 3.19Å; N659-M663 PolarHBondContact O-N 2.93Å; I660-M663 PolarHBondContact O-N 2.82Å; M663-E666 PolarHBondContact O-N 3.45Å; M663-C667 WeakPolarHBondContact O-CB 3.45Å; M663-C667 PolarHBondContact O-N 2.74Å; M663-C667 PolarHBondContact O-SG 3.05Å
664E62.1Low71.4Confident28 Ų2857.6 Ų57.613%0.13129%0.294CS..Hα-helixtrans-65.3-43.1175.6-70.2177.5173.500111.3F114 G115 S116 I660 D661 K662 C667 I668F114-E664 HydrophobicContact CD1-CG 4.48Å; F114-E664 HydrophobicContact CE1-CG 3.85Å; G115-E664 WeakPolarHBondContact CA-OE1 3.4Å; G115-E664 WeakPolarHBondContact CA-OE2 3.33Å; S116-E664 PolarHBondContact N-OE1 3Å; S116-E664 PolarHBondContact N-OE2 2.99Å; I660-E664 HydrophobicContact CG2-CG 4.25Å; I660-E664 VanDerWaalsContact CG2-OE1 3.32Å; I660-E664 WeakPolarHBondContact CG2-OE1 3.43Å; I660-E664 WeakPolarHBondContact O-CG 3.12Å; I660-E664 PolarHBondContact O-N 2.67Å; D661-E664 PolarHBondContact O-N 3.15Å; K662-E664 VanDerWaalsContact C-N 3.26Å; K662-E664 PolarHBondContact O-N 2.97Å; E664-C667 PolarHBondContact O-N 3.28Å; E664-I668 PolarHBondContact O-N 3.34Å
665N70Confident73.1Confident114 Ų11457.5 Ų57.561%0.6129%0.293SS*.Hα-helixtrans-64.7-37.6172.4-77.9-86.3000112.7D661 K662 C667 I668D661-N665 PolarHBondContact O-N 2.75Å; D661-N665 VanDerWaalsContact O-N 3.11Å; D661-N665 PolarHBondContact O-ND2 3.03Å; K662-N665 PolarHBondContact O-N 2.8Å; N665-C667 VanDerWaalsContact C-N 3.27Å; N665-C667 PolarHBondContact O-N 2.9Å; N665-I668 PolarHBondContact O-N 2.82Å
666E69.1Low74.7Confident90 Ų9059.1 Ų59.142%0.42129%0.294SS..Hα-helixtrans-68.4-24.5174.7-71.8175.1154.600112.6K662 M663 Q700K662-E666 WeakPolarHBondContact CE-OE1 3.4Å; K662-E666 IonicContact NZ-OE1 3.73Å; K662-E666 PolarHBondContact NZ-OE1 2.97Å; K662-E666 WeakPolarHBondContact O-CG 3.29Å; K662-E666 PolarHBondContact O-N 2.92Å; M663-E666 PolarHBondContact O-N 3.45Å; E666-Q700 HydrophobicContact CB-CG 4.42Å; E666-Q700 VanDerWaalsContact O-CB 3.31Å; E666-Q700 WeakPolarHBondContact O-CB 3.43Å; E666-Q700 WeakPolarHBondContact O-CG 3.37Å
667C69.9Low76.6Confident21 Ų2165.6 Ų65.614%0.14232%0.324CS..THydrogen-bonded Turntrans-891.3178.1-67.60000114.8M663 E664 N665 P669 V701M663-C667 WeakPolarHBondContact O-CB 3.45Å; M663-C667 PolarHBondContact O-N 2.74Å; M663-C667 PolarHBondContact O-SG 3.05Å; E664-C667 PolarHBondContact O-N 3.28Å; N665-C667 VanDerWaalsContact C-N 3.27Å; N665-C667 PolarHBondContact O-N 2.9Å; C667-P669 WeakPolarHBondContact O-CD 3.42Å; C667-V701 HydrophobicContact CB-CG1 4.06Å; C667-V701 VanDerWaalsContact O-CG2 3.27Å; C667-V701 WeakPolarHBondContact O-CG2 3.37Å
668I76.6Confident78.7Confident72 Ų7265 Ų6537%0.36932%0.321SS..SBendtrans-68.1127175.8-61.7175.2000109.1E664 N665 S670E664-I668 PolarHBondContact O-N 3.34Å; N665-I668 PolarHBondContact O-N 2.82Å; I668-S670 PolarHBondContact O-N 3.49Å
669P84.5Confident80.3Confident17 Ų1762 Ų6211%0.1131%0.313CS..  trans-56.5136.2177-27.736.7000112.8C667 V701 C703 L767C667-P669 WeakPolarHBondContact O-CD 3.42Å; P669-V701 HydrophobicContact CB-CG2 4.49Å; P669-V701 HydrophobicContact CG-CG2 4.06Å; P669-C703 HydrophobicContact CB-CB 3.96Å; P669-L767 HydrophobicContact CB-CD1 4.28Å
670S88.6Confident82Confident24 Ų2459 Ų5917%0.16830%0.297CS..  trans-142.3146.6-176.8-173.80000111.2I668 N697 D698I668-S670 PolarHBondContact O-N 3.49Å; S670-N697 PolarHBondContact O-OD1 3.06Å; S670-D698 VanDerWaalsContact C-OD1 3.23Å; S670-D698 WeakPolarHBondContact CB-OD1 3.48Å; S670-D698 PolarHBondContact OG-OD1 3.27Å
671L93.2Very high83.9Confident4 Ų463.6 Ų63.62%0.02132%0.315CS..  trans-131143.6170.6-73.7174.5000111.1L673 L695 F696 N697 D698 F705 I730 L765 L767 Y773L671-L673 HydrophobicContact CB-CD1 3.87Å; L671-L695 HydrophobicContact CD1-CB 4.48Å; L671-L695 HydrophobicContact CD2-CB 4.35Å; L671-F696 WeakPolarHBondContact CA-O 3.35Å; L671-F696 WeakPolarHBondContact CD2-O 3.47Å; L671-N697 HydrophobicContact CD2-CB 4.23Å; L671-D698 PolarHBondContact N-OD1 3.06Å; L671-F705 HydrophobicContact CD1-CB 4.46Å; L671-I730 HydrophobicContact CD2-CD1 3.95Å; L671-L765 HydrophobicContact CD1-CD2 3.95Å; L671-L767 HydrophobicContact CB-CD1 4.34Å; L671-L767 HydrophobicContact CD1-CD1 4.29Å; L671-L767 HydrophobicContact CD1-CD2 3.6Å; L671-L767 HydrophobicContact CD1-CG 4.08Å; L671-L767 HydrophobicContact CG-CD1 3.99Å; L671-L767 HydrophobicContact CG-CD2 3.93Å; L671-L767 HydrophobicContact CG-CG 4.32Å; L671-Y773 HydrophobicContact CB-CE1 4.49Å; L671-Y773 HydrophobicContact CB-CE2 4.34Å; L671-Y773 PolarHBondContact N-OH 3.44Å; L671-Y773 VanDerWaalsContact O-CE1 3.22Å; L671-Y773 WeakPolarHBondContact O-CE1 3.37Å; L671-Y773 VanDerWaalsContact O-CZ 3.26Å; L671-Y773 PolarHBondContact O-OH 2.91Å
672S95.6Very high85.6Confident56 Ų5665.1 Ų65.139%0.39232%0.323SS..EExtended strand (participates in β ladder)trans-97.5135154.8-850000109.5F696 D698S672-F696 PolarHBondContact N-O 2.64Å; S672-F696 PolarHBondContact O-N 2.64Å; S672-D698 WeakPolarHBondContact CB-OD2 3.45Å; S672-D698 PolarHBondContact N-OD2 3.09Å; S672-D698 PolarHBondContact OG-OD2 3.41Å
673L96.7Very high86.9Confident24 Ų2459.7 Ų59.713%0.12630%0.3CS..EExtended strand (participates in β ladder)trans-108.2134.8177.9-83.859000108.2L671 K675 R676 L693 L695 Y773 I775L671-L673 HydrophobicContact CB-CD1 3.87Å; L673-K675 VanDerWaalsContact C-N 3.29Å; L673-K675 PolarHBondContact O-N 2.77Å; L673-R676 HydrophobicContact CB-CG 4.42Å; L673-R676 HydrophobicContact CD2-CG 4.24Å; L673-L693 HydrophobicContact CB-CD1 4.2Å; L673-L693 HydrophobicContact CG-CD1 4.24Å; L673-L695 HydrophobicContact CD1-CD2 3.96Å; L673-L695 HydrophobicContact CG-CD2 3.75Å; L673-Y773 HydrophobicContact CD1-CD1 3.52Å; L673-Y773 HydrophobicContact CD1-CE1 3.76Å; L673-Y773 HydrophobicContact CD1-CG 4.02Å; L673-Y773 HydrophobicContact CD2-CD1 3.93Å; L673-Y773 HydrophobicContact CD2-CG 4.19Å; L673-Y773 HydrophobicContact CG-CD1 4.34Å; L673-I775 HydrophobicContact CD2-CD1 3.97Å; L673-I775 HydrophobicContact CD2-CG1 3.92Å
674S96.4Very high88.4Confident78 Ų7858.9 Ų58.955%0.54530%0.295SS..SBendtrans-63.9-32.4179.4600000113.8N694S674-N694 PolarHBondContact N-O 3.38Å; S674-N694 PolarHBondContact OG-N 2.69Å; S674-N694 VanDerWaalsContact OG-N 3.11Å
675K94.9Very high90Very high66 Ų6657.6 Ų57.629%0.28729%0.289SS..  trans-151.9161.9173.345169.7167.6174.80110.3L673 F678 E691 T692 L693L673-K675 VanDerWaalsContact C-N 3.29Å; L673-K675 PolarHBondContact O-N 2.77Å; K675-F678 HydrophobicContact CD-CD1 4.19Å; K675-F678 HydrophobicContact CD-CD2 4.4Å; K675-F678 HydrophobicContact CD-CE1 3.74Å; K675-F678 HydrophobicContact CD-CE2 3.92Å; K675-F678 HydrophobicContact CD-CG 4.49Å; K675-F678 HydrophobicContact CD-CZ 3.56Å; K675-F678 HydrophobicContact CG-CE1 4.29Å; K675-F678 HydrophobicContact CG-CE2 3.82Å; K675-F678 HydrophobicContact CG-CZ 3.6Å; K675-F678 VanDerWaalsContact NZ-CE1 3.35Å; K675-E691 IonicContact NZ-OE2 2.68Å; K675-E691 PolarHBondContact NZ-OE2 3.44Å; K675-T692 WeakPolarHBondContact CE-O 3.44Å; K675-L693 HydrophobicContact CG-CD1 4.48Å; K675-L693 VanDerWaalsContact O-CD1 3.27Å; K675-L693 WeakPolarHBondContact O-CD1 3.35Å
676R95.5Very high91.1Very high139 Ų13955.5 Ų55.553%0.52528%0.276SS..SBendtrans-128.9-2.2177.4-59-175.4-173.8-172.1-0.1113.5L673 I775 S776L673-R676 HydrophobicContact CB-CG 4.42Å; L673-R676 HydrophobicContact CD2-CG 4.24Å; R676-I775 CarbonylContact O-C 3.58Å; R676-I775 WeakPolarHBondContact O-CA 3.35Å; R676-S776 PolarHBondContact O-N 2.74Å
677E97.1Very high92.3Very high160 Ų16054.2 Ų54.275%0.74827%0.27SS*.EExtended strand (participates in β ladder)trans-128.8129.1-179.5-70.6169-15900106.9S776E677-S776 WeakPolarHBondContact CA-O 3.33Å
678F96.8Very high93.4Very high3 Ų358 Ų581%0.01329%0.286CS..EExtended strand (participates in β ladder)trans-127.7138.2-177.6-70.8-109.8000107.7K675 F680 E691 L693 L740 I775 S776 V777 T778K675-F678 HydrophobicContact CD-CD1 4.19Å; K675-F678 HydrophobicContact CD-CD2 4.4Å; K675-F678 HydrophobicContact CD-CE1 3.74Å; K675-F678 HydrophobicContact CD-CE2 3.92Å; K675-F678 HydrophobicContact CD-CG 4.49Å; K675-F678 HydrophobicContact CD-CZ 3.56Å; K675-F678 HydrophobicContact CG-CE1 4.29Å; K675-F678 HydrophobicContact CG-CE2 3.82Å; K675-F678 HydrophobicContact CG-CZ 3.6Å; K675-F678 VanDerWaalsContact NZ-CE1 3.35Å; F678-F680 HydrophobicContact CB-CE2 3.99Å; F678-E691 HydrophobicContact CD1-CB 3.69Å; F678-E691 WeakPolarHBondContact CD1-OE2 3.36Å; F678-E691 HydrophobicContact CE1-CB 3.92Å; F678-L693 HydrophobicContact CE1-CB 4.41Å; F678-L693 HydrophobicContact CE2-CD1 4.34Å; F678-L693 HydrophobicContact CZ-CB 3.74Å; F678-L693 HydrophobicContact CZ-CD1 4Å; F678-L693 HydrophobicContact CZ-CG 4.29Å; F678-L740 HydrophobicContact CD1-CB 4.5Å; F678-L740 HydrophobicContact CD1-CD1 3.78Å; F678-L740 HydrophobicContact CD1-CG 4.46Å; F678-L740 HydrophobicContact CD2-CD1 3.91Å; F678-L740 HydrophobicContact CE1-CB 4.47Å; F678-L740 HydrophobicContact CE1-CD1 3.67Å; F678-L740 HydrophobicContact CE1-CG 4.12Å; F678-L740 HydrophobicContact CE2-CD1 3.85Å; F678-L740 HydrophobicContact CG-CD1 3.92Å; F678-L740 HydrophobicContact CZ-CD1 3.73Å; F678-L740 HydrophobicContact CZ-CG 4.4Å; F678-I775 HydrophobicContact CD2-CG2 3.64Å; F678-I775 HydrophobicContact CE2-CG2 3.63Å; F678-S776 PolarHBondContact N-O 3.48Å; F678-V777 HydrophobicContact CB-CG2 4.26Å; F678-T778 PolarHBondContact O-N 3.49Å; F678-T778 PolarHBondContact O-OG1 2.92Å; F678-T778 VanDerWaalsContact O-OG1 3.07Å
679H96.6Very high94.2Very high92 Ų9256.7 Ų56.743%0.42628%0.278SS..EExtended strand (participates in β ladder)trans-138.687.7-172.9-173.472.5000111.5K681 T778H679-K681 VanDerWaalsContact CD2-CE 3.49Å; H679-K681 WeakPolarHBondContact CD2-CE 3.47Å; H679-K681 PolarHBondContact O-N 3.05Å; H679-T778 CarbonylContact C-O 3.58Å; H679-T778 VanDerWaalsContact CA-O 3.3Å; H679-T778 WeakPolarHBondContact CA-O 3.44Å; H679-T778 PolarHBondContact ND1-OG1 3.41Å
680F96.1Very high94.8Very high7 Ų758.4 Ų58.43%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-75103.2-178.6-68.3-89.2000110.2F678 V683 H689 E691 L740 V742 V777 T778 G779 N780F678-F680 HydrophobicContact CB-CE2 3.99Å; F680-V683 HydrophobicContact CB-CG2 3.73Å; F680-H689 HydrophobicContact CD1-CB 3.91Å; F680-H689 HydrophobicContact CE1-CB 4.29Å; F680-E691 HydrophobicContact CE1-CB 4.1Å; F680-E691 HydrophobicContact CE1-CG 3.97Å; F680-E691 HydrophobicContact CZ-CB 3.88Å; F680-E691 HydrophobicContact CZ-CG 4.13Å; F680-L740 HydrophobicContact CZ-CB 4.29Å; F680-L740 WeakPolarHBondContact CZ-O 3.3Å; F680-V742 HydrophobicContact CD1-CB 4.04Å; F680-V742 HydrophobicContact CD1-CG2 3.83Å; F680-V742 HydrophobicContact CD2-CG2 3.66Å; F680-V742 HydrophobicContact CE1-CB 4.21Å; F680-V742 HydrophobicContact CE1-CG2 3.85Å; F680-V742 HydrophobicContact CE2-CG2 3.69Å; F680-V742 HydrophobicContact CG-CB 4.27Å; F680-V742 HydrophobicContact CG-CG2 3.73Å; F680-V742 HydrophobicContact CZ-CG2 3.78Å; F680-V777 HydrophobicContact CD2-CG1 3.73Å; F680-V777 HydrophobicContact CE2-CG1 3.69Å; F680-T778 PolarHBondContact N-O 3.41Å; F680-G779 CarbonylContact O-C 3.5Å; F680-G779 WeakPolarHBondContact O-CA 3.46Å; F680-N780 PolarHBondContact O-N 3.4Å
681K94.1Very high95.2Very high131 Ų13160.1 Ų60.157%0.5730%0.299SS*.EExtended strand (participates in β ladder)trans-80.4145.7176.4-64.6-167.9177.2-170.30111.5H679 V683 N780H679-K681 VanDerWaalsContact CD2-CE 3.49Å; H679-K681 WeakPolarHBondContact CD2-CE 3.47Å; H679-K681 PolarHBondContact O-N 3.05Å; K681-V683 VanDerWaalsContact C-N 3.31Å; K681-V683 PolarHBondContact O-N 3.27Å; K681-N780 WeakPolarHBondContact CA-OD1 3.49Å
682D93.4Very high95.4Very high80 Ų8063 Ų6343%0.42832%0.317SS..EExtended strand (participates in β ladder)trans52.748.9167.7-53.2-41.1000112.5K684 H689 N780 L782D682-K684 PolarHBondContact O-N 3.33Å; D682-H689 PolarHBondContact O-NE2 3.26Å; D682-N780 PolarHBondContact N-ND2 3.18Å; D682-N780 PolarHBondContact N-O 2.98Å; D682-N780 PolarHBondContact N-OD1 3.29Å; D682-N780 PolarHBondContact OD1-ND2 3.46Å; D682-L782 HydrophobicContact CB-CD1 3.75Å; D682-L782 HydrophobicContact CB-CG 4.38Å
683V95.4Very high95.4Very high0 Ų060.3 Ų60.30%030%0.298CS..EExtended strand (participates in β ladder)trans-67.9125.5174.9-177.20000108.5F680 K681 V742 V744 I759 N780 Y781 L782F680-V683 HydrophobicContact CB-CG2 3.73Å; K681-V683 VanDerWaalsContact C-N 3.31Å; K681-V683 PolarHBondContact O-N 3.27Å; V683-V742 HydrophobicContact CG1-CG1 3.72Å; V683-V742 HydrophobicContact CG2-CG1 4.07Å; V683-V744 HydrophobicContact CG1-CG2 3.7Å; V683-I759 HydrophobicContact CG1-CD1 4.46Å; V683-I759 HydrophobicContact CG2-CG2 4.41Å; V683-N780 PolarHBondContact N-O 3.39Å; V683-Y781 HydrophobicContact CB-CD2 4.37Å; V683-Y781 HydrophobicContact CG1-CD2 4.21Å; V683-Y781 WeakPolarHBondContact O-CA 3.43Å; V683-Y781 WeakPolarHBondContact O-CD2 3.38Å; V683-L782 PolarHBondContact O-N 3.09Å
684K94.9Very high95.5Very high31 Ų3161.3 Ų61.314%0.13530%0.303CS..  trans-121.2159.7-177-59.8-171.9176.2-165.40112.4D682 M686 Q687 L782 D868D682-K684 PolarHBondContact O-N 3.33Å; K684-M686 PolarHBondContact O-N 2.9Å; K684-Q687 HydrophobicContact CB-CB 4.15Å; K684-Q687 PolarHBondContact O-N 2.76Å; K684-L782 HydrophobicContact CG-CB 4.41Å; K684-L782 HydrophobicContact CG-CD1 4.22Å; K684-D868 VanDerWaalsContact CD-OD1 3.26Å; K684-D868 WeakPolarHBondContact CD-OD1 3.38Å; K684-D868 IonicContact NZ-OD1 3.42Å; K684-D868 PolarHBondContact NZ-OD1 3.14Å; K684-D868 IonicContact NZ-OD2 2.72Å; K684-D868 PolarHBondContact NZ-OD2 3.1Å
685F95.2Very high95.5Very high1 Ų157.6 Ų57.60%0.00428%0.277CS..BIsolated β-bridgetrans-53.2128173179.6-108.2000112.5Q687 R746 A749 Y786 F863 R867 A895F685-Q687 PolarHBondContact O-N 2.69Å; F685-R746 HydrophobicContact CE2-CB 4.49Å; F685-A749 HydrophobicContact CD2-CB 3.64Å; F685-A749 HydrophobicContact CE2-CB 3.93Å; F685-Y786 AromaticContact CD1-CD1 3.97Å; F685-Y786 HydrophobicContact CD1-CD1 3.97Å; F685-Y786 HydrophobicContact CD1-CD2 4.17Å; F685-Y786 AromaticContact CD1-CG 3.56Å; F685-Y786 HydrophobicContact CD1-CG 3.56Å; F685-Y786 AromaticContact CE1-CD1 3.43Å; F685-Y786 HydrophobicContact CE1-CD1 3.43Å; F685-Y786 VanDerWaalsContact CE1-CD1 3.43Å; F685-Y786 HydrophobicContact CE1-CD2 4.46Å; F685-Y786 HydrophobicContact CE1-CE1 4.36Å; F685-Y786 AromaticContact CE1-CG 3.51Å; F685-Y786 HydrophobicContact CE1-CG 3.51Å; F685-Y786 HydrophobicContact CG-CG 4.41Å; F685-Y786 HydrophobicContact CZ-CD1 4.17Å; F685-Y786 HydrophobicContact CZ-CG 4.32Å; F685-F863 HydrophobicContact CD1-CE1 4.26Å; F685-F863 HydrophobicContact CD1-CZ 4Å; F685-F863 HydrophobicContact CE1-CE1 4.42Å; F685-F863 AromaticContact CE1-CZ 3.91Å; F685-F863 HydrophobicContact CE1-CZ 3.91Å; F685-R867 VanDerWaalsContact O-CD 3.28Å; F685-R867 WeakPolarHBondContact O-CD 3.14Å; F685-R867 PolarHBondContact O-NH1 3.26Å; F685-A895 HydrophobicContact CE2-CB 4.36Å; F685-A895 HydrophobicContact CZ-CB 3.86Å
686M93.3Very high95.6Very high69 Ų6958.2 Ų58.234%0.3428%0.28SS..THydrogen-bonded Turntrans5520.4179-62.9-80.5-7600114.7K684 F743 V744 N745 F863 L891K684-M686 PolarHBondContact O-N 2.9Å; M686-F743 HydrophobicContact CB-CZ 4.5Å; M686-F743 HydrophobicContact CE-CZ 4.41Å; M686-F743 HydrophobicContact SD-CE1 4.2Å; M686-F743 HydrophobicContact SD-CZ 3.69Å; M686-V744 WeakPolarHBondContact CA-O 3.36Å; M686-V744 PolarHBondContact N-O 2.84Å; M686-N745 HydrophobicContact SD-CB 4.25Å; M686-F863 HydrophobicContact CB-CE1 3.97Å; M686-L891 HydrophobicContact CE-CD2 4.33Å
687Q92.9Very high95.6Very high64 Ų6451.7 Ų51.730%0.29926%0.256SS..  trans-95.4133.3168.9-168.3171.115.300110K684 F685 H689 F743K684-Q687 HydrophobicContact CB-CB 4.15Å; K684-Q687 PolarHBondContact O-N 2.76Å; F685-Q687 PolarHBondContact O-N 2.69Å; Q687-H689 PolarHBondContact OE1-NE2 2.93Å; Q687-F743 WeakPolarHBondContact O-CD2 3.19Å
688H93.3Very high95.3Very high100 Ų10047 Ų4746%0.46324%0.236SC..EExtended strand (participates in β ladder)trans-89.9131170.9-176.6-100.2000109.4E741 F743H688-E741 IonicContact CD2-OE2 3.14Å; H688-E741 IonicContact CE1-OE2 3.9Å; H688-E741 IonicContact NE2-OE2 3.81Å; H688-E741 PolarHBondContact NE2-OE2 2.98Å; H688-F743 HydrophobicContact CB-CD2 4.12Å
689H94.5Very high94.8Very high45 Ų4547.2 Ų47.221%0.20824%0.239CC..EExtended strand (participates in β ladder)trans-126.6141.7171.2-72.1-96.9000108F680 D682 Q687 E741 V742F680-H689 HydrophobicContact CD1-CB 3.91Å; F680-H689 HydrophobicContact CE1-CB 4.29Å; D682-H689 PolarHBondContact O-NE2 3.26Å; Q687-H689 PolarHBondContact OE1-NE2 2.93Å; H689-E741 WeakPolarHBondContact O-CA 3.4Å; H689-V742 HydrophobicContact CB-CB 4.48Å; H689-V742 PolarHBondContact N-O 2.98Å; H689-V742 PolarHBondContact O-N 2.8Å
690A95.5Very high93.9Very high53 Ų5348 Ų4844%0.43824%0.243SC..EExtended strand (participates in β ladder)trans-141.1138.7178.600000111.5L740 E741A690-L740 WeakPolarHBondContact CA-O 3.33Å; A690-E741 HydrophobicContact CB-CG 4.24Å
691E96.9Very high93.2Very high60 Ų6047.8 Ų47.828%0.2824%0.243SC..EExtended strand (participates in β ladder)trans-130.1124.9171.3-80.2-161.3-176.700111.3K675 F678 F680 L740K675-E691 IonicContact NZ-OE2 2.68Å; K675-E691 PolarHBondContact NZ-OE2 3.44Å; F678-E691 HydrophobicContact CD1-CB 3.69Å; F678-E691 WeakPolarHBondContact CD1-OE2 3.36Å; F678-E691 HydrophobicContact CE1-CB 3.92Å; F680-E691 HydrophobicContact CE1-CB 4.1Å; F680-E691 HydrophobicContact CE1-CG 3.97Å; F680-E691 HydrophobicContact CZ-CB 3.88Å; F680-E691 HydrophobicContact CZ-CG 4.13Å; E691-L740 PolarHBondContact N-O 3.5Å; E691-L740 PolarHBondContact O-N 2.88Å
692T97.4Very high92.6Very high64 Ų6443.1 Ų43.139%0.39323%0.226SC..EExtended strand (participates in β ladder)trans-75.3134.4-179.7-42.80000113K675 D737 D739K675-T692 WeakPolarHBondContact CE-O 3.44Å; T692-D737 HydrophobicContact CG2-CB 3.63Å; T692-D739 WeakPolarHBondContact CA-OD1 3.26Å; T692-D739 VanDerWaalsContact CB-OD1 3.27Å; T692-D739 WeakPolarHBondContact CB-OD1 3.47Å; T692-D739 WeakPolarHBondContact CG2-OD1 3.18Å; T692-D739 PolarHBondContact OG1-OD1 2.78Å
693L97.4Very high92.2Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-104.2117.4166.7176.854.2000109.2L673 K675 F678 L695 D737 V738 I775L673-L693 HydrophobicContact CB-CD1 4.2Å; L673-L693 HydrophobicContact CG-CD1 4.24Å; K675-L693 HydrophobicContact CG-CD1 4.48Å; K675-L693 VanDerWaalsContact O-CD1 3.27Å; K675-L693 WeakPolarHBondContact O-CD1 3.35Å; F678-L693 HydrophobicContact CE1-CB 4.41Å; F678-L693 HydrophobicContact CE2-CD1 4.34Å; F678-L693 HydrophobicContact CZ-CB 3.74Å; F678-L693 HydrophobicContact CZ-CD1 4Å; F678-L693 HydrophobicContact CZ-CG 4.29Å; L693-L695 HydrophobicContact CD1-CD2 4.34Å; L693-L695 HydrophobicContact CD2-CD2 3.82Å; L693-L695 HydrophobicContact CG-CD2 3.77Å; L693-L695 HydrophobicContact CG-CG 4.42Å; L693-D737 WeakPolarHBondContact O-CA 3.36Å; L693-V738 HydrophobicContact CB-CB 4.46Å; L693-V738 WeakPolarHBondContact CB-O 3.41Å; L693-V738 PolarHBondContact N-O 2.88Å; L693-V738 PolarHBondContact O-N 2.94Å; L693-I775 HydrophobicContact CD2-CD1 3.56Å; L693-I775 HydrophobicContact CD2-CG1 4.41Å
694N97.6Very high92Very high45 Ų4543.6 Ų43.624%0.24123%0.226CC..EExtended strand (participates in β ladder)trans-88.2126.5170.4-168.6-93.6000109.4S674 S735 D737S674-N694 PolarHBondContact N-O 3.38Å; S674-N694 PolarHBondContact OG-N 2.69Å; S674-N694 VanDerWaalsContact OG-N 3.11Å; N694-S735 PolarHBondContact OD1-OG 3.39Å; N694-D737 WeakPolarHBondContact CB-OD1 3.45Å; N694-D737 PolarHBondContact ND2-OD1 3.43Å
695L97.6Very high92.1Very high0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-105.6120.4173.5-54.4178.8000108.3L671 L673 L693 F705 I730 S735 M736 V738 L765L671-L695 HydrophobicContact CD1-CB 4.48Å; L671-L695 HydrophobicContact CD2-CB 4.35Å; L673-L695 HydrophobicContact CD1-CD2 3.96Å; L673-L695 HydrophobicContact CG-CD2 3.75Å; L693-L695 HydrophobicContact CD1-CD2 4.34Å; L693-L695 HydrophobicContact CD2-CD2 3.82Å; L693-L695 HydrophobicContact CG-CD2 3.77Å; L693-L695 HydrophobicContact CG-CG 4.42Å; L695-F705 HydrophobicContact CD1-CD1 3.88Å; L695-F705 HydrophobicContact CD1-CD2 4.02Å; L695-F705 HydrophobicContact CD1-CE1 3.64Å; L695-F705 HydrophobicContact CD1-CE2 3.81Å; L695-F705 HydrophobicContact CD1-CG 4.06Å; L695-F705 HydrophobicContact CD1-CZ 3.61Å; L695-I730 HydrophobicContact CB-CD1 3.69Å; L695-I730 HydrophobicContact CD1-CD1 4.15Å; L695-S735 CarbonylContact O-C 3.57Å; L695-S735 WeakPolarHBondContact O-CA 3.48Å; L695-M736 WeakPolarHBondContact CB-O 3.15Å; L695-M736 PolarHBondContact N-O 2.82Å; L695-M736 PolarHBondContact O-N 3.15Å; L695-V738 HydrophobicContact CD1-CG2 3.73Å; L695-V738 HydrophobicContact CG-CG2 4.34Å; L695-L765 HydrophobicContact CD1-CD1 3.82Å; L695-L765 HydrophobicContact CD2-CD1 3.64Å; L695-L765 HydrophobicContact CG-CD1 4.4Å
696F96.8Very high92.1Very high79 Ų7945.7 Ų45.735%0.34624%0.236SC..EExtended strand (participates in β ladder)trans-114.2127.5176.9174.5-107.2000111L671 S672 D698L671-F696 WeakPolarHBondContact CA-O 3.35Å; L671-F696 WeakPolarHBondContact CD2-O 3.47Å; S672-F696 PolarHBondContact N-O 2.64Å; S672-F696 PolarHBondContact O-N 2.64Å; F696-D698 HydrophobicContact CD1-CB 4Å; F696-D698 HydrophobicContact CE1-CB 3.88Å; F696-D698 PolarHBondContact O-N 2.75Å
697N94.5Very high92.3Very high1 Ų142.8 Ų42.81%0.00522%0.221CC..  trans-81.698.2175.8-177.1-10.4000111S670 L671 G699 V701 C703 I730 A731 G733 A734S670-N697 PolarHBondContact O-OD1 3.06Å; L671-N697 HydrophobicContact CD2-CB 4.23Å; N697-G699 WeakPolarHBondContact OD1-CA 3.42Å; N697-G699 PolarHBondContact OD1-N 3.17Å; N697-V701 PolarHBondContact ND2-O 3.19Å; N697-V701 PolarHBondContact OD1-O 3.5Å; N697-C703 PolarHBondContact ND2-N 3.32Å; N697-C703 PolarHBondContact ND2-SG 2.81Å; N697-I730 HydrophobicContact CB-CB 4.32Å; N697-I730 HydrophobicContact CB-CG2 3.7Å; N697-I730 PolarHBondContact ND2-O 3.05Å; N697-A731 WeakPolarHBondContact CB-O 3.49Å; N697-A731 PolarHBondContact ND2-O 3.06Å; N697-G733 WeakPolarHBondContact O-CA 3.49Å; N697-G733 PolarHBondContact O-N 2.95Å; N697-A734 PolarHBondContact N-O 3.28Å
698D91.3Very high92.4Very high61 Ų6142.6 Ų42.633%0.32622%0.222SC..  trans-90-1.5174.758.912.6000113.9S670 L671 S672 F696S670-D698 VanDerWaalsContact C-OD1 3.23Å; S670-D698 WeakPolarHBondContact CB-OD1 3.48Å; S670-D698 PolarHBondContact OG-OD1 3.27Å; L671-D698 PolarHBondContact N-OD1 3.06Å; S672-D698 WeakPolarHBondContact CB-OD2 3.45Å; S672-D698 PolarHBondContact N-OD2 3.09Å; S672-D698 PolarHBondContact OG-OD2 3.41Å; F696-D698 HydrophobicContact CD1-CB 4Å; F696-D698 HydrophobicContact CE1-CB 3.88Å; F696-D698 PolarHBondContact O-N 2.75Å
699G85.1Confident92.4Very high9 Ų943.9 Ų43.99%0.09323%0.228CC..SBendtrans-75.6174.3175.700000113.9N697N697-G699 WeakPolarHBondContact OD1-CA 3.42Å; N697-G699 PolarHBondContact OD1-N 3.17Å
700Q79.6Confident92.2Very high107 Ų10742.9 Ų42.950%0.522%0.223SC..SBendtrans-89.1-2174.9-56.4-56.1-51.200114E666 Q732E666-Q700 HydrophobicContact CB-CG 4.42Å; E666-Q700 VanDerWaalsContact O-CB 3.31Å; E666-Q700 WeakPolarHBondContact O-CB 3.43Å; E666-Q700 WeakPolarHBondContact O-CG 3.37Å; Q700-Q732 PolarHBondContact O-NE2 2.91Å
701V80.4Confident91.6Very high4 Ų445.8 Ų45.82%0.02424%0.237CC..SBendtrans-129.4151.1-177.4-64.30000111.1V93 C667 P669 N697V93-V701 HydrophobicContact CB-CG1 4.39Å; V93-V701 HydrophobicContact CG1-CG1 4.4Å; C667-V701 HydrophobicContact CB-CG1 4.06Å; C667-V701 VanDerWaalsContact O-CG2 3.27Å; C667-V701 WeakPolarHBondContact O-CG2 3.37Å; P669-V701 HydrophobicContact CB-CG2 4.49Å; P669-V701 HydrophobicContact CG-CG2 4.06Å; N697-V701 PolarHBondContact ND2-O 3.19Å; N697-V701 PolarHBondContact OD1-O 3.5Å
702P80.8Confident90.9Very high33 Ų3351.4 Ų51.421%0.21427%0.269CS..  trans-57.6140.6165.1-20.733.2000111L307 F729 I730L307-P702 HydrophobicContact CD1-CG 4.24Å; P702-F729 HydrophobicContact CB-CE1 4.18Å; P702-F729 HydrophobicContact CB-CE2 3.77Å; P702-F729 HydrophobicContact CB-CZ 3.37Å; P702-F729 HydrophobicContact CG-CZ 4.29Å; P702-I730 WeakPolarHBondContact CA-O 3.36Å
703C85.9Confident90.4Very high3 Ų352 Ų522%0.0227%0.268CS..EExtended strand (participates in β ladder)trans-123.1151.3-176.367.20000112P669 N697 F729 I730 L767P669-C703 HydrophobicContact CB-CB 3.96Å; N697-C703 PolarHBondContact ND2-N 3.32Å; N697-C703 PolarHBondContact ND2-SG 2.81Å; C703-F729 WeakPolarHBondContact O-CA 3.4Å; C703-I730 PolarHBondContact N-O 3.32Å; C703-I730 PolarHBondContact O-N 3.17Å; C703-L767 HydrophobicContact CB-CD2 3.96Å
704Q91.4Very high89.9Confident87 Ų8756.7 Ų56.741%0.40730%0.3SS..EExtended strand (participates in β ladder)trans-113.5134.8170.4-174.7172.1-71.100109.1G728 L767 E768Q704-G728 WeakPolarHBondContact CA-O 3.32Å; Q704-L767 WeakPolarHBondContact O-CD2 3.15Å; Q704-E768 HydrophobicContact CB-CB 4.44Å; Q704-E768 PolarHBondContact O-N 2.84Å
705F95.8Very high89.6Confident2 Ų257.7 Ų57.71%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-119.6150.6175.375.3-89.5000111.5L671 L695 F707 K727 G728 I730 M736 V738 L765 H766 L767L671-F705 HydrophobicContact CD1-CB 4.46Å; L695-F705 HydrophobicContact CD1-CD1 3.88Å; L695-F705 HydrophobicContact CD1-CD2 4.02Å; L695-F705 HydrophobicContact CD1-CE1 3.64Å; L695-F705 HydrophobicContact CD1-CE2 3.81Å; L695-F705 HydrophobicContact CD1-CG 4.06Å; L695-F705 HydrophobicContact CD1-CZ 3.61Å; F705-F707 HydrophobicContact CE2-CE2 4.31Å; F705-K727 CarbonylContact O-C 3.51Å; F705-K727 WeakPolarHBondContact O-CA 3.28Å; F705-K727 WeakPolarHBondContact O-CB 3.46Å; F705-G728 WeakPolarHBondContact CD1-O 3.3Å; F705-G728 VanDerWaalsContact CE1-CA 3.43Å; F705-G728 PolarHBondContact N-O 2.96Å; F705-G728 PolarHBondContact O-N 3.18Å; F705-I730 HydrophobicContact CD1-CD1 3.82Å; F705-I730 HydrophobicContact CD1-CG1 4.16Å; F705-I730 HydrophobicContact CE1-CD1 3.78Å; F705-I730 HydrophobicContact CE1-CG1 4.06Å; F705-M736 HydrophobicContact CE1-SD 3.66Å; F705-M736 HydrophobicContact CZ-SD 3.89Å; F705-V738 HydrophobicContact CE2-CG2 3.91Å; F705-V738 HydrophobicContact CZ-CG2 3.66Å; F705-L765 HydrophobicContact CB-CD2 3.88Å; F705-L765 HydrophobicContact CB-CG 4.26Å; F705-L765 HydrophobicContact CD2-CD1 4.14Å; F705-L765 HydrophobicContact CD2-CG 4.2Å; F705-H766 CarbonylContact C-O 3.58Å; F705-H766 WeakPolarHBondContact CA-O 3.38Å; F705-L767 HydrophobicContact CB-CD2 4.01Å
706E96.8Very high89.4Confident74 Ų7459.9 Ų59.935%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-147.9141.3171.7179.3156.1-15300109.8K727 H766E706-K727 HydrophobicContact CB-CB 3.84Å; E706-K727 HydrophobicContact CB-CD 4.38Å; E706-K727 HydrophobicContact CG-CB 4.01Å; E706-K727 HydrophobicContact CG-CD 3.91Å; E706-K727 WeakPolarHBondContact OE1-CD 3.38Å; E706-K727 WeakPolarHBondContact OE1-CE 3.47Å; E706-K727 IonicContact OE1-NZ 3.22Å; E706-K727 PolarHBondContact OE1-NZ 3.05Å; E706-K727 IonicContact OE2-NZ 3.53Å; E706-K727 PolarHBondContact OE2-NZ 2.85Å; E706-H766 PolarHBondContact N-O 3.18Å; E706-H766 PolarHBondContact O-N 3.07Å
707F97Very high89.3Confident8 Ų856.6 Ų56.64%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-79.9117170.3-75.1-86.6000109.9F705 Y716 A723 P726 V738 L740 L763 V764 L765 I775F705-F707 HydrophobicContact CE2-CE2 4.31Å; F707-Y716 HydrophobicContact CB-CD2 3.63Å; F707-Y716 HydrophobicContact CB-CE2 4.12Å; F707-Y716 HydrophobicContact CB-CG 3.89Å; F707-Y716 HydrophobicContact CG-CD2 4.35Å; F707-A723 HydrophobicContact CD2-CB 3.68Å; F707-A723 HydrophobicContact CE2-CB 3.61Å; F707-A723 HydrophobicContact CG-CB 4.21Å; F707-A723 HydrophobicContact CZ-CB 4.04Å; F707-P726 WeakPolarHBondContact CD2-O 3.49Å; F707-P726 PolarHBondContact N-O 2.58Å; F707-V738 HydrophobicContact CE2-CG1 4.06Å; F707-L740 HydrophobicContact CZ-CD2 4.44Å; F707-L763 HydrophobicContact CD1-CB 3.79Å; F707-L763 HydrophobicContact CD1-CD1 4.43Å; F707-L763 HydrophobicContact CE1-CB 3.69Å; F707-L763 HydrophobicContact CE1-CD1 3.99Å; F707-L763 HydrophobicContact CE1-CG 4.45Å; F707-V764 WeakPolarHBondContact CA-O 3.42Å; F707-L765 HydrophobicContact CD1-CB 4.09Å; F707-L765 HydrophobicContact CE1-CB 3.78Å; F707-L765 HydrophobicContact CE1-CD1 4.33Å; F707-L765 HydrophobicContact CE1-CG 4.44Å; F707-L765 HydrophobicContact CE2-CD1 4.18Å; F707-L765 HydrophobicContact CZ-CB 4.13Å; F707-L765 HydrophobicContact CZ-CD1 3.83Å; F707-L765 HydrophobicContact CZ-CG 4.32Å; F707-I775 HydrophobicContact CE1-CD1 3.84Å; F707-I775 HydrophobicContact CZ-CD1 4.15Å
708I94.7Very high89.2Confident60 Ų6058.7 Ų58.731%0.30831%0.312SS..EExtended strand (participates in β ladder)trans-101.7156.6-170.361.2165.3000113.3Y716 V764 H766I708-Y716 WeakPolarHBondContact O-CB 3.4Å; I708-V764 HydrophobicContact CD1-CG1 3.94Å; I708-V764 HydrophobicContact CG1-CB 3.91Å; I708-V764 HydrophobicContact CG1-CG1 3.73Å; I708-V764 PolarHBondContact N-O 3.18Å; I708-H766 HydrophobicContact CB-CB 4.48Å; I708-H766 HydrophobicContact CD1-CB 3.95Å; I708-H766 HydrophobicContact CG1-CB 4.04Å; I708-H766 HydrophobicContact CG2-CB 3.66Å
709Q93.9Very high89.3Confident127 Ų12760.5 Ų60.559%0.59333%0.328SS*.PPolyproline II helixtrans-63.9136.1177-69.8171.6-20.800111.6S714Q709-S714 PolarHBondContact NE2-O 3.13Å
710K89.7Confident89.8Confident24 Ų2460.2 Ų60.210%0.10432%0.324CS..PPolyproline II helixtrans-73.7149.8172-76.4165.9-81.9152.40110.6N712 E713 Y716 D761 I762 V764K710-N712 PolarHBondContact O-N 2.91Å; K710-E713 HydrophobicContact CB-CB 4.21Å; K710-E713 HydrophobicContact CB-CG 4.23Å; K710-E713 WeakPolarHBondContact CD-OE1 3.48Å; K710-E713 VanDerWaalsContact CE-OE1 3.27Å; K710-E713 WeakPolarHBondContact CE-OE1 3.5Å; K710-E713 WeakPolarHBondContact CE-OE2 3.33Å; K710-E713 IonicContact NZ-OE1 2.8Å; K710-E713 PolarHBondContact NZ-OE1 3.22Å; K710-E713 IonicContact NZ-OE2 3.24Å; K710-E713 PolarHBondContact NZ-OE2 3.42Å; K710-E713 PolarHBondContact O-N 2.84Å; K710-Y716 WeakPolarHBondContact CE-O 3.36Å; K710-D761 IonicContact NZ-OD1 2.93Å; K710-D761 PolarHBondContact NZ-OD1 3.04Å; K710-D761 IonicContact NZ-OD2 3.21Å; K710-I762 VanDerWaalsContact CD-O 3.3Å; K710-I762 WeakPolarHBondContact CD-O 3.49Å; K710-I762 WeakPolarHBondContact CE-O 3.48Å; K710-V764 HydrophobicContact CG-CG2 4.11Å
711P82.4Confident90.6Very high114 Ų11455.1 Ų55.174%0.7430%0.3SS*.THydrogen-bonded Turntrans-56.3126.6176.9-25.434.8000112.2E713P711-E713 VanDerWaalsContact C-N 3.33Å
712N83Confident91.3Very high177 Ų17758.1 Ų58.195%0.94732%0.319SS*.THydrogen-bonded Turntrans74.24.9-174.7-38.4-75.5000116.3K710K710-N712 PolarHBondContact O-N 2.91Å
713E87.5Confident92.1Very high78 Ų7856.6 Ų56.636%0.36431%0.309SS..  trans-103.8150.9171.8-67.7-174.2-129.500112K710 P711K710-E713 HydrophobicContact CB-CB 4.21Å; K710-E713 HydrophobicContact CB-CG 4.23Å; K710-E713 WeakPolarHBondContact CD-OE1 3.48Å; K710-E713 VanDerWaalsContact CE-OE1 3.27Å; K710-E713 WeakPolarHBondContact CE-OE1 3.5Å; K710-E713 WeakPolarHBondContact CE-OE2 3.33Å; K710-E713 IonicContact NZ-OE1 2.8Å; K710-E713 PolarHBondContact NZ-OE1 3.22Å; K710-E713 IonicContact NZ-OE2 3.24Å; K710-E713 PolarHBondContact NZ-OE2 3.42Å; K710-E713 PolarHBondContact O-N 2.84Å; P711-E713 VanDerWaalsContact C-N 3.33Å
714S86.7Confident92.6Very high98 Ų9860.3 Ų60.369%0.68533%0.328SS*.SBendtrans-90.5-5.2179.156.50000114Q709Q709-S714 PolarHBondContact NE2-O 3.13Å
715T91.7Very high92.9Very high65 Ų6558.2 Ų58.240%0.39932%0.322SS..SBendtrans-139.3166.1-175.442.50000109.8S717T715-S717 VanDerWaalsContact C-N 3.35Å; T715-S717 PolarHBondContact OG1-O 3.49Å; T715-S717 VanDerWaalsContact OG1-O 3.07Å
716Y93.1Very high92.9Very high47 Ų4760.6 Ų60.618%0.18434%0.338CS..SBendtrans-83.2-14.7177.571.2-97.9000112.8F707 I708 K710 A723 P726 L763F707-Y716 HydrophobicContact CB-CD2 3.63Å; F707-Y716 HydrophobicContact CB-CE2 4.12Å; F707-Y716 HydrophobicContact CB-CG 3.89Å; F707-Y716 HydrophobicContact CG-CD2 4.35Å; I708-Y716 WeakPolarHBondContact O-CB 3.4Å; K710-Y716 WeakPolarHBondContact CE-O 3.36Å; Y716-A723 HydrophobicContact CE2-CB 4.05Å; Y716-A723 PolarHBondContact OH-N 2.88Å; Y716-P726 HydrophobicContact CE1-CB 4.26Å; Y716-L763 HydrophobicContact CD2-CD2 4.04Å; Y716-L763 HydrophobicContact CE2-CD2 4.3Å
717S94.4Very high92.8Very high10 Ų1062.4 Ų62.47%0.0735%0.345CS..SBendtrans-147.7158.3-176.359.70000112T715 L721 D761T715-S717 VanDerWaalsContact C-N 3.35Å; T715-S717 PolarHBondContact OG1-O 3.49Å; T715-S717 VanDerWaalsContact OG1-O 3.07Å; S717-L721 WeakPolarHBondContact CB-O 3.44Å; S717-L721 PolarHBondContact OG-O 2.87Å; S717-D761 VanDerWaalsContact CA-OD2 3.24Å; S717-D761 WeakPolarHBondContact CA-OD2 3.4Å
718K93.1Very high92.6Very high44 Ų4462.8 Ų62.819%0.19135%0.351CS..  trans-61.9148.5165.1-71.4178.3179.7174.70109.8W720 L721 E760 D761K718-W720 HydrophobicContact CB-CD2 4.46Å; K718-W720 HydrophobicContact CB-CZ2 4.18Å; K718-W720 HydrophobicContact CD-CZ2 3.75Å; K718-W720 PolarHBondContact O-N 3.42Å; K718-L721 PolarHBondContact O-N 3.34Å; K718-E760 WeakPolarHBondContact CD-O 3.4Å; K718-E760 VanDerWaalsContact CE-O 3.23Å; K718-E760 WeakPolarHBondContact CE-O 3.25Å; K718-E760 PolarHBondContact NZ-O 3.46Å; K718-E760 IonicContact NZ-OE1 2.87Å; K718-E760 PolarHBondContact NZ-OE1 3.19Å; K718-D761 HydrophobicContact CD-CB 4.39Å; K718-D761 PolarHBondContact N-OD2 3.38Å
719P93.3Very high92.5Very high100 Ų10065 Ų6565%0.64936%0.359SS*.THydrogen-bonded Turntrans-68-6.9-167.1-20.533.4000116.5M748P719-M748 HydrophobicContact CB-SD 3.72Å; P719-M748 WeakPolarHBondContact O-CE 3.37Å
720W94.7Very high92.3Very high3 Ų359.1 Ų59.11%0.01133%0.331CS..THydrogen-bonded Turntrans-88.1-6.417350.5-102.7000113.2K718 V742 F743 V744 M748 I759 D761 V777K718-W720 HydrophobicContact CB-CD2 4.46Å; K718-W720 HydrophobicContact CB-CZ2 4.18Å; K718-W720 HydrophobicContact CD-CZ2 3.75Å; K718-W720 PolarHBondContact O-N 3.42Å; W720-V742 HydrophobicContact CE3-CG1 4.09Å; W720-V742 HydrophobicContact CE3-CG2 4.15Å; W720-V742 HydrophobicContact CZ3-CG2 4.13Å; W720-V742 CarbonylContact O-C 3.54Å; W720-V742 VanDerWaalsContact O-CA 3.28Å; W720-V742 WeakPolarHBondContact O-CA 3.45Å; W720-F743 PolarHBondContact O-N 3.48Å; W720-V744 HydrophobicContact CB-CG2 4.32Å; W720-M748 VanDerWaalsContact CA-SD 3.6Å; W720-M748 HydrophobicContact CB-CE 4Å; W720-M748 HydrophobicContact CB-SD 3.59Å; W720-M748 VanDerWaalsContact CB-SD 3.59Å; W720-M748 HydrophobicContact CG-SD 4.32Å; W720-M748 PolarHBondContact N-SD 3.27Å; W720-I759 HydrophobicContact CD2-CD1 3.95Å; W720-I759 HydrophobicContact CE3-CD1 4.2Å; W720-I759 HydrophobicContact CE3-CG2 4.31Å; W720-I759 HydrophobicContact CG-CD1 4.34Å; W720-I759 HydrophobicContact CH2-CB 4.36Å; W720-I759 HydrophobicContact CH2-CG2 3.76Å; W720-I759 HydrophobicContact CZ2-CD1 4.38Å; W720-I759 HydrophobicContact CZ2-CG2 4.36Å; W720-I759 HydrophobicContact CZ3-CG2 3.72Å; W720-D761 HydrophobicContact CH2-CB 4.04Å; W720-D761 HydrophobicContact CZ2-CB 4.31Å; W720-V777 HydrophobicContact CH2-CG1 4.43Å; W720-V777 HydrophobicContact CZ3-CG1 4.17Å
721L96.1Very high92.1Very high0 Ų060.2 Ų60.20%035%0.345CS..EExtended strand (participates in β ladder)trans-121129-176.8177.659.3000110.6S717 K718 E741 V742 D761 L763 V777S717-L721 WeakPolarHBondContact CB-O 3.44Å; S717-L721 PolarHBondContact OG-O 2.87Å; K718-L721 PolarHBondContact O-N 3.34Å; L721-E741 WeakPolarHBondContact CA-O 3.37Å; L721-V742 HydrophobicContact CD1-CG2 3.94Å; L721-D761 HydrophobicContact CD2-CB 3.87Å; L721-L763 HydrophobicContact CD2-CD1 4.08Å; L721-L763 HydrophobicContact CD2-CD2 3.68Å; L721-L763 HydrophobicContact CD2-CG 3.9Å; L721-L763 HydrophobicContact CG-CD1 4.42Å; L721-L763 HydrophobicContact CG-CD2 4.22Å; L721-V777 HydrophobicContact CD1-CG1 4.2Å; L721-V777 HydrophobicContact CD1-CG2 4.41Å; L721-V777 HydrophobicContact CD2-CB 3.9Å; L721-V777 HydrophobicContact CD2-CG1 3.99Å; L721-V777 HydrophobicContact CD2-CG2 3.85Å
722T96.5Very high92.4Very high67 Ų6759.3 Ų59.341%0.41133%0.331SS..EExtended strand (participates in β ladder)trans-131.6139.9176-64.30000110E741T722-E741 PolarHBondContact N-O 2.95Å; T722-E741 PolarHBondContact O-N 2.71Å
723A97.3Very high92.7Very high1 Ų153.3 Ų53.31%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-101.7130.7169.800000109.9F707 Y716 P725 P726 V738 L740F707-A723 HydrophobicContact CD2-CB 3.68Å; F707-A723 HydrophobicContact CE2-CB 3.61Å; F707-A723 HydrophobicContact CG-CB 4.21Å; F707-A723 HydrophobicContact CZ-CB 4.04Å; Y716-A723 HydrophobicContact CE2-CB 4.05Å; Y716-A723 PolarHBondContact OH-N 2.88Å; A723-P725 CarbonylContact O-C 3.57Å; A723-P726 WeakPolarHBondContact O-CA 3.38Å; A723-P726 WeakPolarHBondContact O-CB 3.34Å; A723-P726 VanDerWaalsContact O-CD 3.26Å; A723-P726 WeakPolarHBondContact O-CD 3.3Å; A723-P726 VanDerWaalsContact O-N 3.12Å; A723-V738 HydrophobicContact CB-CG1 4.12Å; A723-L740 HydrophobicContact CB-CD2 3.74Å
724N95.9Very high93Very high80 Ų8051.3 Ų51.343%0.42831%0.307SS..EExtended strand (participates in β ladder)trans-133.2108.3-172.2-172.311.1000111.8V738 D739 E741N724-V738 CarbonylContact O-C 3.56Å; N724-V738 WeakPolarHBondContact O-CA 3.28Å; N724-D739 PolarHBondContact N-O 3.45Å; N724-D739 PolarHBondContact O-N 2.86Å; N724-E741 VanDerWaalsContact CB-OE1 3.26Å; N724-E741 WeakPolarHBondContact CB-OE1 3.35Å; N724-E741 PolarHBondContact ND2-OE1 3.07Å
725P97.4Very high93.4Very high43 Ų4349.6 Ų49.628%0.27930%0.295SS..SBendcis-75.3145.9-2.932.1-36.5000112.5A723 K727 M736 V738A723-P725 CarbonylContact O-C 3.57Å; P725-K727 PolarHBondContact O-N 2.9Å; P725-M736 HydrophobicContact CG-SD 4.22Å; P725-V738 HydrophobicContact CG-CG2 4.48Å
726P95.3Very high93.6Very high52 Ų5249.2 Ų49.234%0.33829%0.289SS..SBendtrans-75.3-4.2178.831.4-35.8000113.3F707 Y716 A723F707-P726 WeakPolarHBondContact CD2-O 3.49Å; F707-P726 PolarHBondContact N-O 2.58Å; Y716-P726 HydrophobicContact CE1-CB 4.26Å; A723-P726 WeakPolarHBondContact O-CA 3.38Å; A723-P726 WeakPolarHBondContact O-CB 3.34Å; A723-P726 VanDerWaalsContact O-CD 3.26Å; A723-P726 WeakPolarHBondContact O-CD 3.3Å; A723-P726 VanDerWaalsContact O-N 3.12Å
727K96Very high93.8Very high113 Ų11351.3 Ų51.349%0.49130%0.304SS..EExtended strand (participates in β ladder)trans-160.8153.417260.3-164.3-175-179.80112.2F705 E706 P725F705-K727 CarbonylContact O-C 3.51Å; F705-K727 WeakPolarHBondContact O-CA 3.28Å; F705-K727 WeakPolarHBondContact O-CB 3.46Å; E706-K727 HydrophobicContact CB-CB 3.84Å; E706-K727 HydrophobicContact CB-CD 4.38Å; E706-K727 HydrophobicContact CG-CB 4.01Å; E706-K727 HydrophobicContact CG-CD 3.91Å; E706-K727 WeakPolarHBondContact OE1-CD 3.38Å; E706-K727 WeakPolarHBondContact OE1-CE 3.47Å; E706-K727 IonicContact OE1-NZ 3.22Å; E706-K727 PolarHBondContact OE1-NZ 3.05Å; E706-K727 IonicContact OE2-NZ 3.53Å; E706-K727 PolarHBondContact OE2-NZ 2.85Å; P725-K727 PolarHBondContact O-N 2.9Å
728G91.9Very high94Very high16 Ų1650.8 Ų50.817%0.16530%0.301CS..EExtended strand (participates in β ladder)trans-165.8172.3-177.200000113.9Q704 F705Q704-G728 WeakPolarHBondContact CA-O 3.32Å; F705-G728 WeakPolarHBondContact CD1-O 3.3Å; F705-G728 VanDerWaalsContact CE1-CA 3.43Å; F705-G728 PolarHBondContact N-O 2.96Å; F705-G728 PolarHBondContact O-N 3.18Å
729F91.8Very high94.2Very high107 Ų10751.5 Ų51.547%0.46931%0.306SS..EExtended strand (participates in β ladder)trans-122.1127.1178.1174.5-89000109.1P702 C703 M736P702-F729 HydrophobicContact CB-CE1 4.18Å; P702-F729 HydrophobicContact CB-CE2 3.77Å; P702-F729 HydrophobicContact CB-CZ 3.37Å; P702-F729 HydrophobicContact CG-CZ 4.29Å; C703-F729 WeakPolarHBondContact O-CA 3.4Å; F729-M736 WeakPolarHBondContact O-CE 3.27Å
730I90.1Very high94.4Very high2 Ų246.8 Ų46.81%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-123.5117.8-173.6-50.5176.2000108.6L671 L695 N697 P702 C703 F705 A734 M736L671-I730 HydrophobicContact CD2-CD1 3.95Å; L695-I730 HydrophobicContact CB-CD1 3.69Å; L695-I730 HydrophobicContact CD1-CD1 4.15Å; N697-I730 HydrophobicContact CB-CB 4.32Å; N697-I730 HydrophobicContact CB-CG2 3.7Å; N697-I730 PolarHBondContact ND2-O 3.05Å; P702-I730 WeakPolarHBondContact CA-O 3.36Å; C703-I730 PolarHBondContact N-O 3.32Å; C703-I730 PolarHBondContact O-N 3.17Å; F705-I730 HydrophobicContact CD1-CD1 3.82Å; F705-I730 HydrophobicContact CD1-CG1 4.16Å; F705-I730 HydrophobicContact CE1-CD1 3.78Å; F705-I730 HydrophobicContact CE1-CG1 4.06Å; I730-A734 HydrophobicContact CG2-CB 4.09Å; I730-A734 WeakPolarHBondContact CG2-O 3.38Å; I730-M736 HydrophobicContact CD1-CB 3.72Å; I730-M736 HydrophobicContact CG1-CB 3.82Å; I730-M736 HydrophobicContact CG1-CE 4.38Å; I730-M736 HydrophobicContact CG1-SD 4.44Å
731A85.6Confident94.5Very high48 Ų4848.9 Ų48.940%0.39729%0.286SS..  trans-66.1156.9176.300000111.7N697 G733 A734N697-A731 WeakPolarHBondContact CB-O 3.49Å; N697-A731 PolarHBondContact ND2-O 3.06Å; A731-G733 PolarHBondContact O-N 2.79Å; A731-A734 HydrophobicContact CB-CB 4.22Å; A731-A734 WeakPolarHBondContact O-CB 3.43Å; A731-A734 PolarHBondContact O-N 2.72Å
732Q88.4Confident94.6Very high95 Ų9548.9 Ų48.944%0.44429%0.286SS..THydrogen-bonded Turntrans-51.3125.5175.8-176-175.115.500111.1Q700 A734Q700-Q732 PolarHBondContact O-NE2 2.91Å; Q732-A734 PolarHBondContact O-N 3.23Å
733G90.6Very high94.5Very high51 Ų5149.2 Ų49.253%0.52628%0.282SS..THydrogen-bonded Turntrans69.813.6179.700000115.4N697 A731N697-G733 WeakPolarHBondContact O-CA 3.49Å; N697-G733 PolarHBondContact O-N 2.95Å; A731-G733 PolarHBondContact O-N 2.79Å
734A92.7Very high94.5Very high35 Ų3549.2 Ų49.229%0.28928%0.281SS..  trans-99.4159.8171.700000111.7N697 I730 A731 Q732N697-A734 PolarHBondContact N-O 3.28Å; I730-A734 HydrophobicContact CG2-CB 4.09Å; I730-A734 WeakPolarHBondContact CG2-O 3.38Å; A731-A734 HydrophobicContact CB-CB 4.22Å; A731-A734 WeakPolarHBondContact O-CB 3.43Å; A731-A734 PolarHBondContact O-N 2.72Å; Q732-A734 PolarHBondContact O-N 3.23Å
735S95.6Very high94.3Very high63 Ų6347.4 Ų47.444%0.44127%0.271SS..EExtended strand (participates in β ladder)trans-107.2159.1166.1-74.30000111.9N694 L695N694-S735 PolarHBondContact OD1-OG 3.39Å; L695-S735 CarbonylContact O-C 3.57Å; L695-S735 WeakPolarHBondContact O-CA 3.48Å
736M96.3Very high93.9Very high56 Ų5651.9 Ų51.928%0.27628%0.283SS..EExtended strand (participates in β ladder)trans-136.8137162.8-178.6170.1-6800109L695 F705 P725 F729 I730L695-M736 WeakPolarHBondContact CB-O 3.15Å; L695-M736 PolarHBondContact N-O 2.82Å; L695-M736 PolarHBondContact O-N 3.15Å; F705-M736 HydrophobicContact CE1-SD 3.66Å; F705-M736 HydrophobicContact CZ-SD 3.89Å; P725-M736 HydrophobicContact CG-SD 4.22Å; F729-M736 WeakPolarHBondContact O-CE 3.27Å; I730-M736 HydrophobicContact CD1-CB 3.72Å; I730-M736 HydrophobicContact CG1-CB 3.82Å; I730-M736 HydrophobicContact CG1-CE 4.38Å; I730-M736 HydrophobicContact CG1-SD 4.44Å
737D97.8Very high93.7Very high91 Ų9153.9 Ų53.949%0.48730%0.298SS..EExtended strand (participates in β ladder)trans-90140.2171.6-68.8-55.7000110.2T692 L693 N694T692-D737 HydrophobicContact CG2-CB 3.63Å; L693-D737 WeakPolarHBondContact O-CA 3.36Å; N694-D737 WeakPolarHBondContact CB-OD1 3.45Å; N694-D737 PolarHBondContact ND2-OD1 3.43Å
738V97.7Very high93.5Very high0 Ų049.2 Ų49.20%028%0.278CS..EExtended strand (participates in β ladder)trans-127.9118173.1176.70000107.6L693 L695 F705 F707 A723 N724 P725 L740L693-V738 HydrophobicContact CB-CB 4.46Å; L693-V738 WeakPolarHBondContact CB-O 3.41Å; L693-V738 PolarHBondContact N-O 2.88Å; L693-V738 PolarHBondContact O-N 2.94Å; L695-V738 HydrophobicContact CD1-CG2 3.73Å; L695-V738 HydrophobicContact CG-CG2 4.34Å; F705-V738 HydrophobicContact CE2-CG2 3.91Å; F705-V738 HydrophobicContact CZ-CG2 3.66Å; F707-V738 HydrophobicContact CE2-CG1 4.06Å; A723-V738 HydrophobicContact CB-CG1 4.12Å; N724-V738 CarbonylContact O-C 3.56Å; N724-V738 WeakPolarHBondContact O-CA 3.28Å; P725-V738 HydrophobicContact CG-CG2 4.48Å; V738-L740 HydrophobicContact CG1-CD2 4.28Å
739D97.7Very high93.5Very high59 Ų5948.4 Ų48.432%0.31627%0.27SS..EExtended strand (participates in β ladder)trans-80.3127.2174.1-68.5-45.2000110T692 N724 E741T692-D739 WeakPolarHBondContact CA-OD1 3.26Å; T692-D739 VanDerWaalsContact CB-OD1 3.27Å; T692-D739 WeakPolarHBondContact CB-OD1 3.47Å; T692-D739 WeakPolarHBondContact CG2-OD1 3.18Å; T692-D739 PolarHBondContact OG1-OD1 2.78Å; N724-D739 PolarHBondContact N-O 3.45Å; N724-D739 PolarHBondContact O-N 2.86Å; D739-E741 HydrophobicContact CB-CG 4.34Å
740L97.6Very high93.5Very high0 Ų044.6 Ų44.60%026%0.256CS..EExtended strand (participates in β ladder)trans-92.1108.2168.1-58.8-169.1000107.6F678 F680 A690 E691 F707 A723 V738 L763 I775 V777F678-L740 HydrophobicContact CD1-CB 4.5Å; F678-L740 HydrophobicContact CD1-CD1 3.78Å; F678-L740 HydrophobicContact CD1-CG 4.46Å; F678-L740 HydrophobicContact CD2-CD1 3.91Å; F678-L740 HydrophobicContact CE1-CB 4.47Å; F678-L740 HydrophobicContact CE1-CD1 3.67Å; F678-L740 HydrophobicContact CE1-CG 4.12Å; F678-L740 HydrophobicContact CE2-CD1 3.85Å; F678-L740 HydrophobicContact CG-CD1 3.92Å; F678-L740 HydrophobicContact CZ-CD1 3.73Å; F678-L740 HydrophobicContact CZ-CG 4.4Å; F680-L740 HydrophobicContact CZ-CB 4.29Å; F680-L740 WeakPolarHBondContact CZ-O 3.3Å; A690-L740 WeakPolarHBondContact CA-O 3.33Å; E691-L740 PolarHBondContact N-O 3.5Å; E691-L740 PolarHBondContact O-N 2.88Å; F707-L740 HydrophobicContact CZ-CD2 4.44Å; A723-L740 HydrophobicContact CB-CD2 3.74Å; V738-L740 HydrophobicContact CG1-CD2 4.28Å; L740-L763 HydrophobicContact CD1-CD1 3.94Å; L740-L763 HydrophobicContact CD2-CD1 3.69Å; L740-L763 HydrophobicContact CG-CD1 4.44Å; L740-I775 HydrophobicContact CD1-CG2 4.1Å; L740-V777 HydrophobicContact CD1-CG2 4.13Å
741E97.3Very high93.4Very high48 Ų4847.2 Ų47.222%0.22427%0.27CS..EExtended strand (participates in β ladder)trans-101125.3-174-62.2-177.4-137.800110.3H688 H689 A690 L721 T722 N724 D739H688-E741 IonicContact CD2-OE2 3.14Å; H688-E741 IonicContact CE1-OE2 3.9Å; H688-E741 IonicContact NE2-OE2 3.81Å; H688-E741 PolarHBondContact NE2-OE2 2.98Å; H689-E741 WeakPolarHBondContact O-CA 3.4Å; A690-E741 HydrophobicContact CB-CG 4.24Å; L721-E741 WeakPolarHBondContact CA-O 3.37Å; T722-E741 PolarHBondContact N-O 2.95Å; T722-E741 PolarHBondContact O-N 2.71Å; N724-E741 VanDerWaalsContact CB-OE1 3.26Å; N724-E741 WeakPolarHBondContact CB-OE1 3.35Å; N724-E741 PolarHBondContact ND2-OE1 3.07Å; D739-E741 HydrophobicContact CB-CG 4.34Å
742V96.8Very high93.7Very high0 Ų045.4 Ų45.40%025%0.254CS..EExtended strand (participates in β ladder)trans-109.8125173.7172.80000109.8F680 V683 H689 W720 L721F680-V742 HydrophobicContact CD1-CB 4.04Å; F680-V742 HydrophobicContact CD1-CG2 3.83Å; F680-V742 HydrophobicContact CD2-CG2 3.66Å; F680-V742 HydrophobicContact CE1-CB 4.21Å; F680-V742 HydrophobicContact CE1-CG2 3.85Å; F680-V742 HydrophobicContact CE2-CG2 3.69Å; F680-V742 HydrophobicContact CG-CB 4.27Å; F680-V742 HydrophobicContact CG-CG2 3.73Å; F680-V742 HydrophobicContact CZ-CG2 3.78Å; V683-V742 HydrophobicContact CG1-CG1 3.72Å; V683-V742 HydrophobicContact CG2-CG1 4.07Å; H689-V742 HydrophobicContact CB-CB 4.48Å; H689-V742 PolarHBondContact N-O 2.98Å; H689-V742 PolarHBondContact O-N 2.8Å; W720-V742 HydrophobicContact CE3-CG1 4.09Å; W720-V742 HydrophobicContact CE3-CG2 4.15Å; W720-V742 HydrophobicContact CZ3-CG2 4.13Å; W720-V742 CarbonylContact O-C 3.54Å; W720-V742 VanDerWaalsContact O-CA 3.28Å; W720-V742 WeakPolarHBondContact O-CA 3.45Å; L721-V742 HydrophobicContact CD1-CG2 3.94Å
743F95.9Very high93.8Very high74 Ų7441.3 Ų41.333%0.32524%0.235SC..EExtended strand (participates in β ladder)trans-148.2109.6-179.7-176.6-104.5000111.9M686 Q687 H688 W720 N745 M748M686-F743 HydrophobicContact CB-CZ 4.5Å; M686-F743 HydrophobicContact CE-CZ 4.41Å; M686-F743 HydrophobicContact SD-CE1 4.2Å; M686-F743 HydrophobicContact SD-CZ 3.69Å; Q687-F743 WeakPolarHBondContact O-CD2 3.19Å; H688-F743 HydrophobicContact CB-CD2 4.12Å; W720-F743 PolarHBondContact O-N 3.48Å; F743-N745 HydrophobicContact CD1-CB 4.26Å; F743-N745 HydrophobicContact CE1-CB 3.86Å; F743-M748 WeakPolarHBondContact O-CE 3.39Å
744V95.3Very high93.4Very high0 Ų039.3 Ų39.30%021%0.213CC..BIsolated β-bridgetrans-88.3126.8176.1177.70000110.1V683 M686 W720 M748 A749 L752 I759 Y781V683-V744 HydrophobicContact CG1-CG2 3.7Å; M686-V744 WeakPolarHBondContact CA-O 3.36Å; M686-V744 PolarHBondContact N-O 2.84Å; W720-V744 HydrophobicContact CB-CG2 4.32Å; V744-M748 HydrophobicContact CG1-CB 4.33Å; V744-A749 HydrophobicContact CG1-CB 4.22Å; V744-L752 HydrophobicContact CB-CD1 4.25Å; V744-L752 HydrophobicContact CG1-CD1 3.56Å; V744-L752 HydrophobicContact CG2-CD1 3.61Å; V744-I759 HydrophobicContact CG2-CD1 4.31Å; V744-Y781 HydrophobicContact CB-CE2 4.06Å; V744-Y781 HydrophobicContact CG1-CD2 4.5Å; V744-Y781 HydrophobicContact CG1-CE2 3.72Å; V744-Y781 HydrophobicContact CG2-CD2 4.01Å; V744-Y781 HydrophobicContact CG2-CE2 4Å
745N92.3Very high92.9Very high42 Ų4239.9 Ų39.923%0.22522%0.222CC..  trans-121.1178-17876.219.2000112.4M686 F743 S747 M748 A749M686-N745 HydrophobicContact SD-CB 4.25Å; F743-N745 HydrophobicContact CD1-CB 4.26Å; F743-N745 HydrophobicContact CE1-CB 3.86Å; N745-S747 PolarHBondContact O-N 3.5Å; N745-S747 VanDerWaalsContact O-N 3.08Å; N745-S747 PolarHBondContact OD1-N 3.09Å; N745-S747 PolarHBondContact OD1-OG 3.13Å; N745-M748 HydrophobicContact CB-CE 4.19Å; N745-M748 VanDerWaalsContact CG-CE 3.42Å; N745-M748 PolarHBondContact O-N 3Å; N745-M748 WeakPolarHBondContact OD1-CE 3.4Å; N745-A749 PolarHBondContact O-N 2.96Å
746R90.4Very high92.4Very high137 Ų13741 Ų4152%0.51722%0.219SC..THydrogen-bonded Turntrans-51.2-28.9-179.865.1-175.4-176.6-179.68.4116.2F685 P750 D894 A895F685-R746 HydrophobicContact CE2-CB 4.49Å; R746-P750 WeakPolarHBondContact O-CD 3.37Å; R746-D894 WeakPolarHBondContact CD-OD2 3.45Å; R746-D894 IonicContact CZ-OD1 2.89Å; R746-D894 IonicContact CZ-OD2 3.74Å; R746-D894 IonicContact NE-OD2 2.89Å; R746-D894 IonicContact NH1-OD1 2.63Å; R746-D894 PolarHBondContact NH1-OD1 3.45Å; R746-D894 IonicContact NH1-OD2 2.87Å; R746-D894 PolarHBondContact NH1-OD2 3.38Å; R746-A895 HydrophobicContact CB-CB 4.12Å
747S89.5Confident92Very high95 Ų9541.3 Ų41.366%0.66422%0.219SC*.THydrogen-bonded Turntrans-85.6-8.1177.839.30000114.4N745N745-S747 PolarHBondContact O-N 3.5Å; N745-S747 VanDerWaalsContact O-N 3.08Å; N745-S747 PolarHBondContact OD1-N 3.09Å; N745-S747 PolarHBondContact OD1-OG 3.13Å
748M92.3Very high91.7Very high14 Ų1441.9 Ų41.97%0.06922%0.219CC..THydrogen-bonded Turntrans-118.1-31.2-175.5-64.7-175.2-83.100113.1P719 W720 F743 V744 N745 P750 D751 L752P719-M748 HydrophobicContact CB-SD 3.72Å; P719-M748 WeakPolarHBondContact O-CE 3.37Å; W720-M748 VanDerWaalsContact CA-SD 3.6Å; W720-M748 HydrophobicContact CB-CE 4Å; W720-M748 HydrophobicContact CB-SD 3.59Å; W720-M748 VanDerWaalsContact CB-SD 3.59Å; W720-M748 HydrophobicContact CG-SD 4.32Å; W720-M748 PolarHBondContact N-SD 3.27Å; F743-M748 WeakPolarHBondContact O-CE 3.39Å; V744-M748 HydrophobicContact CG1-CB 4.33Å; N745-M748 HydrophobicContact CB-CE 4.19Å; N745-M748 VanDerWaalsContact CG-CE 3.42Å; N745-M748 PolarHBondContact O-N 3Å; N745-M748 WeakPolarHBondContact OD1-CE 3.4Å; M748-P750 VanDerWaalsContact C-CD 3.41Å; M748-P750 VanDerWaalsContact C-N 3.31Å; M748-D751 PolarHBondContact O-N 2.96Å; M748-L752 HydrophobicContact CB-CD1 4.21Å; M748-L752 PolarHBondContact O-N 2.88Å
749A92.6Very high91.5Very high0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-50.7-40.517700000114.2F685 V744 N745 D751 L752 N753F685-A749 HydrophobicContact CD2-CB 3.64Å; F685-A749 HydrophobicContact CE2-CB 3.93Å; V744-A749 HydrophobicContact CG1-CB 4.22Å; N745-A749 PolarHBondContact O-N 2.96Å; A749-D751 VanDerWaalsContact C-N 3.35Å; A749-D751 PolarHBondContact O-N 3.11Å; A749-L752 PolarHBondContact O-N 2.99Å; A749-N753 VanDerWaalsContact O-CB 3.25Å; A749-N753 WeakPolarHBondContact O-CB 3.36Å; A749-N753 PolarHBondContact O-N 2.83Å; A749-N753 PolarHBondContact O-ND2 2.84Å; A749-N753 PolarHBondContact O-OD1 3.25Å
750P90.4Very high91.4Very high26 Ų2644.5 Ų44.517%0.16923%0.23CC..Hα-helixtrans-60.2-35.7179.2-28.337.9000115.9R746 M748 C754 G787 P897R746-P750 WeakPolarHBondContact O-CD 3.37Å; M748-P750 VanDerWaalsContact C-CD 3.41Å; M748-P750 VanDerWaalsContact C-N 3.31Å; P750-C754 PolarHBondContact O-SG 2.84Å; P750-C754 VanDerWaalsContact O-SG 3.41Å; P750-G787 VanDerWaalsContact CA-O 3.29Å; P750-G787 WeakPolarHBondContact CA-O 3.33Å; P750-P897 HydrophobicContact CB-CB 4.24Å; P750-P897 HydrophobicContact CB-CG 3.95Å; P750-P897 HydrophobicContact CG-CB 4.38Å; P750-P897 HydrophobicContact CG-CG 4.05Å
751D89.3Confident91.3Very high58 Ų5845.2 Ų45.231%0.3123%0.233SC..Hα-helixtrans-83.1-29.4179-86.2-6.9000112.2M748 A749 K756 Q757M748-D751 PolarHBondContact O-N 2.96Å; A749-D751 VanDerWaalsContact C-N 3.35Å; A749-D751 PolarHBondContact O-N 3.11Å; D751-K756 HydrophobicContact CB-CB 4.22Å; D751-K756 WeakPolarHBondContact O-CA 3.35Å; D751-K756 WeakPolarHBondContact O-CB 3.38Å; D751-K756 PolarHBondContact O-N 3.04Å; D751-K756 IonicContact OD1-NZ 3.44Å; D751-K756 PolarHBondContact OD1-NZ 3.11Å; D751-Q757 HydrophobicContact CB-CB 4.34Å; D751-Q757 HydrophobicContact CB-CG 3.94Å; D751-Q757 PolarHBondContact O-N 2.94Å; D751-Q757 PolarHBondContact OD2-NE2 3.33Å
752L91.3Very high91.2Very high9 Ų947 Ų475%0.04724%0.244CC..Hα-helixtrans-77.8-41176.8-68.1164.2000112.1V744 M748 A749 C754 G755 Q757 I759 Y781V744-L752 HydrophobicContact CB-CD1 4.25Å; V744-L752 HydrophobicContact CG1-CD1 3.56Å; V744-L752 HydrophobicContact CG2-CD1 3.61Å; M748-L752 HydrophobicContact CB-CD1 4.21Å; M748-L752 PolarHBondContact O-N 2.88Å; A749-L752 PolarHBondContact O-N 2.99Å; L752-C754 VanDerWaalsContact C-N 3.35Å; L752-C754 PolarHBondContact O-N 2.94Å; L752-G755 PolarHBondContact O-N 3.46Å; L752-Q757 HydrophobicContact CD2-CB 3.98Å; L752-Q757 HydrophobicContact CG-CB 4.49Å; L752-I759 HydrophobicContact CD1-CD1 4.24Å; L752-I759 HydrophobicContact CD2-CD1 3.79Å; L752-I759 HydrophobicContact CD2-CG1 4.43Å; L752-Y781 HydrophobicContact CB-CD1 3.6Å; L752-Y781 HydrophobicContact CB-CD2 4.46Å; L752-Y781 HydrophobicContact CB-CE1 3.58Å; L752-Y781 HydrophobicContact CB-CE2 4.46Å; L752-Y781 HydrophobicContact CB-CG 4.04Å; L752-Y781 HydrophobicContact CD1-CD2 4.4Å; L752-Y781 HydrophobicContact CD1-CE2 4.45Å
753N90.8Very high91.2Very high10 Ų1047 Ų475%0.05324%0.244CC..Hα-helixtrans-58.9-42.6178.6-74.6-10.4000112.1A749 Y781 S784 Y786 G787 T788A749-N753 VanDerWaalsContact O-CB 3.25Å; A749-N753 WeakPolarHBondContact O-CB 3.36Å; A749-N753 PolarHBondContact O-N 2.83Å; A749-N753 PolarHBondContact O-ND2 2.84Å; A749-N753 PolarHBondContact O-OD1 3.25Å; N753-Y781 WeakPolarHBondContact OD1-CE1 3.48Å; N753-Y781 PolarHBondContact OD1-OH 3.1Å; N753-S784 PolarHBondContact ND2-O 2.85Å; N753-S784 PolarHBondContact OD1-N 3.18Å; N753-S784 VanDerWaalsContact OD1-N 3.15Å; N753-Y786 PolarHBondContact ND2-O 2.84Å; N753-G787 WeakPolarHBondContact ND2-CA 3.44Å; N753-G787 PolarHBondContact ND2-O 3.16Å; N753-T788 PolarHBondContact ND2-N 3.08Å; N753-T788 PolarHBondContact ND2-OG1 3.01Å
754C82.6Confident91.2Very high9 Ų944.1 Ų44.16%0.06123%0.232CC..THydrogen-bonded Turntrans-95.114.1-179.381.80000113.7P750 L752 K756 H812P750-C754 PolarHBondContact O-SG 2.84Å; P750-C754 VanDerWaalsContact O-SG 3.41Å; L752-C754 VanDerWaalsContact C-N 3.35Å; L752-C754 PolarHBondContact O-N 2.94Å; C754-K756 VanDerWaalsContact C-N 3.3Å; C754-K756 PolarHBondContact O-N 3.16Å; C754-K756 WeakPolarHBondContact SG-CE 3.27Å; C754-K756 PolarHBondContact SG-NZ 2.96Å; C754-H812 HydrophobicContact CB-CB 3.82Å
755G82.1Confident91.3Very high46 Ų4644.1 Ų44.147%0.47423%0.232SC..THydrogen-bonded Turntrans65.121.4177.100000116.3L752 Q757L752-G755 PolarHBondContact O-N 3.46Å; G755-Q757 VanDerWaalsContact C-N 3.31Å
756K84Confident91.4Very high88 Ų8845.1 Ų45.138%0.38324%0.235SC..SBendtrans-74.8-23.8171.1-89.4-169.7-96.872.70112.7D751 C754 H812D751-K756 HydrophobicContact CB-CB 4.22Å; D751-K756 WeakPolarHBondContact O-CA 3.35Å; D751-K756 WeakPolarHBondContact O-CB 3.38Å; D751-K756 PolarHBondContact O-N 3.04Å; D751-K756 IonicContact OD1-NZ 3.44Å; D751-K756 PolarHBondContact OD1-NZ 3.11Å; C754-K756 VanDerWaalsContact C-N 3.3Å; C754-K756 PolarHBondContact O-N 3.16Å; C754-K756 WeakPolarHBondContact SG-CE 3.27Å; C754-K756 PolarHBondContact SG-NZ 2.96Å; K756-H812 WeakPolarHBondContact CE-NE2 3.32Å
757Q88.4Confident91.5Very high61 Ų6138.6 Ų38.629%0.28521%0.211SC..SBendtrans-131.5152.2171-66-177.244.600108.6D751 L752 G755D751-Q757 HydrophobicContact CB-CB 4.34Å; D751-Q757 HydrophobicContact CB-CG 3.94Å; D751-Q757 PolarHBondContact O-N 2.94Å; D751-Q757 PolarHBondContact OD2-NE2 3.33Å; L752-Q757 HydrophobicContact CD2-CB 3.98Å; L752-Q757 HydrophobicContact CG-CB 4.49Å; G755-Q757 VanDerWaalsContact C-N 3.31Å
758E91.3Very high91.1Very high104 Ų10437.8 Ų37.849%0.48620%0.196SC..  trans-123.2165.1169.7-64.2-156.3126.800110.8E760 K805E758-E760 HydrophobicContact CB-CG 4.08Å; E758-E760 PolarHBondContact O-N 3.27Å; E758-K805 IonicContact OE1-NZ 3.09Å; E758-K805 PolarHBondContact OE1-NZ 3.48Å
759I94.3Very high90.2Very high5 Ų542 Ų423%0.02621%0.212CC..SBendtrans-79.576.6177.5-55.4-62.3000108.6V683 W720 V744 L752 T778 G779V683-I759 HydrophobicContact CG1-CD1 4.46Å; V683-I759 HydrophobicContact CG2-CG2 4.41Å; W720-I759 HydrophobicContact CD2-CD1 3.95Å; W720-I759 HydrophobicContact CE3-CD1 4.2Å; W720-I759 HydrophobicContact CE3-CG2 4.31Å; W720-I759 HydrophobicContact CG-CD1 4.34Å; W720-I759 HydrophobicContact CH2-CB 4.36Å; W720-I759 HydrophobicContact CH2-CG2 3.76Å; W720-I759 HydrophobicContact CZ2-CD1 4.38Å; W720-I759 HydrophobicContact CZ2-CG2 4.36Å; W720-I759 HydrophobicContact CZ3-CG2 3.72Å; V744-I759 HydrophobicContact CG2-CD1 4.31Å; L752-I759 HydrophobicContact CD1-CD1 4.24Å; L752-I759 HydrophobicContact CD2-CD1 3.79Å; L752-I759 HydrophobicContact CD2-CG1 4.43Å; I759-T778 CarbonylContact O-C 3.6Å; I759-T778 VanDerWaalsContact O-C 3.23Å; I759-T778 VanDerWaalsContact O-CA 3.24Å; I759-T778 WeakPolarHBondContact O-CA 3.19Å; I759-G779 PolarHBondContact O-N 3.44Å
760E95.2Very high89.7Confident109 Ų10943.3 Ų43.351%0.50923%0.225SC..EExtended strand (participates in β ladder)trans-142.5130.2176.543.6125.2-121.700109.5K718 E758 V777K718-E760 WeakPolarHBondContact CD-O 3.4Å; K718-E760 VanDerWaalsContact CE-O 3.23Å; K718-E760 WeakPolarHBondContact CE-O 3.25Å; K718-E760 PolarHBondContact NZ-O 3.46Å; K718-E760 IonicContact NZ-OE1 2.87Å; K718-E760 PolarHBondContact NZ-OE1 3.19Å; E758-E760 HydrophobicContact CB-CG 4.08Å; E758-E760 PolarHBondContact O-N 3.27Å; E760-V777 CarbonylContact C-O 3.54Å; E760-V777 WeakPolarHBondContact CA-O 3.45Å
761D95Very high89.5Confident14 Ų1447.9 Ų47.98%0.07524%0.242CC..EExtended strand (participates in β ladder)trans-156.3163.7172.1-157.73.9000111.2K710 S717 K718 W720 L721 V777K710-D761 IonicContact NZ-OD1 2.93Å; K710-D761 PolarHBondContact NZ-OD1 3.04Å; K710-D761 IonicContact NZ-OD2 3.21Å; S717-D761 VanDerWaalsContact CA-OD2 3.24Å; S717-D761 WeakPolarHBondContact CA-OD2 3.4Å; K718-D761 HydrophobicContact CD-CB 4.39Å; K718-D761 PolarHBondContact N-OD2 3.38Å; W720-D761 HydrophobicContact CH2-CB 4.04Å; W720-D761 HydrophobicContact CZ2-CB 4.31Å; L721-D761 HydrophobicContact CD2-CB 3.87Å; D761-V777 PolarHBondContact N-O 2.78Å; D761-V777 PolarHBondContact O-N 3.03Å
762I95.6Very high89.7Confident86 Ų8648.8 Ų48.844%0.44125%0.247SC..EExtended strand (participates in β ladder)trans-124.5113.2172.1-58.6178.1000108.6K710 F774 I775K710-I762 VanDerWaalsContact CD-O 3.3Å; K710-I762 WeakPolarHBondContact CD-O 3.49Å; K710-I762 WeakPolarHBondContact CE-O 3.48Å; I762-F774 HydrophobicContact CG2-CB 4.18Å; I762-F774 HydrophobicContact CG2-CD1 4.16Å; I762-I775 WeakPolarHBondContact CA-O 3.47Å
763L96.7Very high89.9Confident0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-83.6134.5172.2-59179.8000109.6F707 Y716 L721 L740 I775 V777F707-L763 HydrophobicContact CD1-CB 3.79Å; F707-L763 HydrophobicContact CD1-CD1 4.43Å; F707-L763 HydrophobicContact CE1-CB 3.69Å; F707-L763 HydrophobicContact CE1-CD1 3.99Å; F707-L763 HydrophobicContact CE1-CG 4.45Å; Y716-L763 HydrophobicContact CD2-CD2 4.04Å; Y716-L763 HydrophobicContact CE2-CD2 4.3Å; L721-L763 HydrophobicContact CD2-CD1 4.08Å; L721-L763 HydrophobicContact CD2-CD2 3.68Å; L721-L763 HydrophobicContact CD2-CG 3.9Å; L721-L763 HydrophobicContact CG-CD1 4.42Å; L721-L763 HydrophobicContact CG-CD2 4.22Å; L740-L763 HydrophobicContact CD1-CD1 3.94Å; L740-L763 HydrophobicContact CD2-CD1 3.69Å; L740-L763 HydrophobicContact CG-CD1 4.44Å; L763-I775 HydrophobicContact CB-CB 4.28Å; L763-I775 PolarHBondContact N-O 2.83Å; L763-I775 PolarHBondContact O-N 2.73Å; L763-V777 HydrophobicContact CD1-CG2 4.16Å; L763-V777 HydrophobicContact CG-CG2 4.32Å
764V96.6Very high90.2Very high14 Ų1454.6 Ų54.69%0.08527%0.271CS..EExtended strand (participates in β ladder)trans-107.2100.2176.1-172.10000108.9F707 I708 K710 H766 D772 F774F707-V764 WeakPolarHBondContact CA-O 3.42Å; I708-V764 HydrophobicContact CD1-CG1 3.94Å; I708-V764 HydrophobicContact CG1-CB 3.91Å; I708-V764 HydrophobicContact CG1-CG1 3.73Å; I708-V764 PolarHBondContact N-O 3.18Å; K710-V764 HydrophobicContact CG-CG2 4.11Å; V764-H766 PolarHBondContact O-N 2.9Å; V764-D772 HydrophobicContact CG1-CB 4.25Å; V764-F774 HydrophobicContact CG1-CD1 4.45Å; V764-F774 HydrophobicContact CG1-CE1 4.06Å; V764-F774 HydrophobicContact CG2-CD1 3.93Å; V764-F774 HydrophobicContact CG2-CE1 3.88Å
765L96.9Very high90.9Very high0 Ų054.1 Ų54.10%027%0.268CS..EExtended strand (participates in β ladder)trans-83.7108.6172.4-176.7160.9000108.4L671 L695 F705 F707 Y773 I775L671-L765 HydrophobicContact CD1-CD2 3.95Å; L695-L765 HydrophobicContact CD1-CD1 3.82Å; L695-L765 HydrophobicContact CD2-CD1 3.64Å; L695-L765 HydrophobicContact CG-CD1 4.4Å; F705-L765 HydrophobicContact CB-CD2 3.88Å; F705-L765 HydrophobicContact CB-CG 4.26Å; F705-L765 HydrophobicContact CD2-CD1 4.14Å; F705-L765 HydrophobicContact CD2-CG 4.2Å; F707-L765 HydrophobicContact CD1-CB 4.09Å; F707-L765 HydrophobicContact CE1-CB 3.78Å; F707-L765 HydrophobicContact CE1-CD1 4.33Å; F707-L765 HydrophobicContact CE1-CG 4.44Å; F707-L765 HydrophobicContact CE2-CD1 4.18Å; F707-L765 HydrophobicContact CZ-CB 4.13Å; F707-L765 HydrophobicContact CZ-CD1 3.83Å; F707-L765 HydrophobicContact CZ-CG 4.32Å; L765-Y773 HydrophobicContact CD2-CD2 4.1Å; L765-Y773 PolarHBondContact N-O 3.15Å; L765-Y773 PolarHBondContact O-N 2.89Å; L765-I775 HydrophobicContact CB-CD1 3.98Å; L765-I775 HydrophobicContact CD1-CD1 4.26Å
766H94.8Very high91.6Very high62 Ų6254 Ų5429%0.28726%0.26SS..EExtended strand (participates in β ladder)trans-89.5136.1176.4179.365.3000110.4F705 E706 I708 V764 D772F705-H766 CarbonylContact C-O 3.58Å; F705-H766 WeakPolarHBondContact CA-O 3.38Å; E706-H766 PolarHBondContact N-O 3.18Å; E706-H766 PolarHBondContact O-N 3.07Å; I708-H766 HydrophobicContact CB-CB 4.48Å; I708-H766 HydrophobicContact CD1-CB 3.95Å; I708-H766 HydrophobicContact CG1-CB 4.04Å; I708-H766 HydrophobicContact CG2-CB 3.66Å; V764-H766 PolarHBondContact O-N 2.9Å; H766-D772 IonicContact CE1-OD1 3.93Å; H766-D772 IonicContact CG-OD1 2.83Å; H766-D772 IonicContact ND1-OD1 3.72Å; H766-D772 PolarHBondContact ND1-OD1 3.26Å
767L91.9Very high92.2Very high0 Ų049.9 Ų49.90%024%0.242CC..EExtended strand (participates in β ladder)trans-94.7127.2161-79.8-178.9000110.3P669 L671 C703 Q704 F705 R769 G770 K771 Y773P669-L767 HydrophobicContact CB-CD1 4.28Å; L671-L767 HydrophobicContact CB-CD1 4.34Å; L671-L767 HydrophobicContact CD1-CD1 4.29Å; L671-L767 HydrophobicContact CD1-CD2 3.6Å; L671-L767 HydrophobicContact CD1-CG 4.08Å; L671-L767 HydrophobicContact CG-CD1 3.99Å; L671-L767 HydrophobicContact CG-CD2 3.93Å; L671-L767 HydrophobicContact CG-CG 4.32Å; C703-L767 HydrophobicContact CB-CD2 3.96Å; Q704-L767 WeakPolarHBondContact O-CD2 3.15Å; F705-L767 HydrophobicContact CB-CD2 4.01Å; L767-R769 PolarHBondContact O-N 3.29Å; L767-R769 VanDerWaalsContact O-N 3.12Å; L767-G770 PolarHBondContact O-N 3.26Å; L767-K771 PolarHBondContact N-O 2.71Å; L767-Y773 HydrophobicContact CD1-CE2 3.81Å; L767-Y773 HydrophobicContact CG-CE2 4.16Å
768E81.6Confident92.6Very high78 Ų7849.4 Ų49.436%0.36424%0.243SC..THydrogen-bonded Turntrans-57.4121.8173-164.9-159.914200109.5Q704 G770Q704-E768 HydrophobicContact CB-CB 4.44Å; Q704-E768 PolarHBondContact O-N 2.84Å; E768-G770 PolarHBondContact O-N 2.84Å; E768-G770 VanDerWaalsContact O-N 3.14Å
769R73.9Confident92.7Very high104 Ų10445.4 Ų45.439%0.39223%0.23SC..THydrogen-bonded Turntrans61.411.6-175.3-56150.1-178.8-73.1-24.9114.8G94 D96 L767G94-R769 PolarHBondContact O-NH1 2.94Å; D96-R769 IonicContact OD1-CZ 3.97Å; D96-R769 IonicContact OD1-NH1 2.69Å; D96-R769 PolarHBondContact OD1-NH1 3.08Å; D96-R769 IonicContact OD1-NH2 3.97Å; D96-R769 IonicContact OD2-CZ 3.78Å; D96-R769 IonicContact OD2-NH1 3.94Å; D96-R769 PolarHBondContact OD2-NH1 3.28Å; D96-R769 IonicContact OD2-NH2 3.15Å; D96-R769 PolarHBondContact OD2-NH2 3.46Å; L767-R769 PolarHBondContact O-N 3.29Å; L767-R769 VanDerWaalsContact O-N 3.12Å
770G81.3Confident92.7Very high26 Ų2647.8 Ų47.827%0.26824%0.243SC..SBendtrans-112.1-137.1-177.600000113.3L767 E768L767-G770 PolarHBondContact O-N 3.26Å; E768-G770 PolarHBondContact O-N 2.84Å; E768-G770 VanDerWaalsContact O-N 3.14Å
771K86.3Confident92.6Very high123 Ų12343.6 Ų43.654%0.53522%0.223SC..  trans-113.6154.9-179.3-62.4167-172158.60110.7L767 Y773L767-K771 PolarHBondContact N-O 2.71Å; K771-Y773 HydrophobicContact CB-CE2 4.08Å; K771-Y773 WeakPolarHBondContact O-CD2 3.32Å; K771-Y773 WeakPolarHBondContact O-CE2 3.38Å
772D93.6Very high92.6Very high76 Ų7644.9 Ų44.941%0.40623%0.229SC..EExtended strand (participates in β ladder)trans-87141.2169.9-57.7-34.1000110.9V764 H766 F774V764-D772 HydrophobicContact CG1-CB 4.25Å; H766-D772 IonicContact CE1-OD1 3.93Å; H766-D772 IonicContact CG-OD1 2.83Å; H766-D772 IonicContact ND1-OD1 3.72Å; H766-D772 PolarHBondContact ND1-OD1 3.26Å; D772-F774 HydrophobicContact CB-CE2 4.23Å; D772-F774 HydrophobicContact CB-CZ 4.24Å
773Y95.3Very high92.4Very high15 Ų1541.8 Ų41.86%0.05922%0.215CC..EExtended strand (participates in β ladder)trans-120.7112.2177.3-65.1-103.6000109.1L671 L673 L765 L767 K771L671-Y773 HydrophobicContact CB-CE1 4.49Å; L671-Y773 HydrophobicContact CB-CE2 4.34Å; L671-Y773 PolarHBondContact N-OH 3.44Å; L671-Y773 VanDerWaalsContact O-CE1 3.22Å; L671-Y773 WeakPolarHBondContact O-CE1 3.37Å; L671-Y773 VanDerWaalsContact O-CZ 3.26Å; L671-Y773 PolarHBondContact O-OH 2.91Å; L673-Y773 HydrophobicContact CD1-CD1 3.52Å; L673-Y773 HydrophobicContact CD1-CE1 3.76Å; L673-Y773 HydrophobicContact CD1-CG 4.02Å; L673-Y773 HydrophobicContact CD2-CD1 3.93Å; L673-Y773 HydrophobicContact CD2-CG 4.19Å; L673-Y773 HydrophobicContact CG-CD1 4.34Å; L765-Y773 HydrophobicContact CD2-CD2 4.1Å; L765-Y773 PolarHBondContact N-O 3.15Å; L765-Y773 PolarHBondContact O-N 2.89Å; L767-Y773 HydrophobicContact CD1-CE2 3.81Å; L767-Y773 HydrophobicContact CG-CE2 4.16Å; K771-Y773 HydrophobicContact CB-CE2 4.08Å; K771-Y773 WeakPolarHBondContact O-CD2 3.32Å; K771-Y773 WeakPolarHBondContact O-CE2 3.38Å
774F96.1Very high92.4Very high126 Ų12641.8 Ų41.855%0.55322%0.215SC*.EExtended strand (participates in β ladder)trans-82.9124.5174.9-56.7-83.8000109.2I762 V764 D772I762-F774 HydrophobicContact CG2-CB 4.18Å; I762-F774 HydrophobicContact CG2-CD1 4.16Å; V764-F774 HydrophobicContact CG1-CD1 4.45Å; V764-F774 HydrophobicContact CG1-CE1 4.06Å; V764-F774 HydrophobicContact CG2-CD1 3.93Å; V764-F774 HydrophobicContact CG2-CE1 3.88Å; D772-F774 HydrophobicContact CB-CE2 4.23Å; D772-F774 HydrophobicContact CB-CZ 4.24Å
775I97.4Very high92.2Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-118115.4178.7-65.1149.2000107.1L673 R676 F678 L693 F707 L740 I762 L763 L765L673-I775 HydrophobicContact CD2-CD1 3.97Å; L673-I775 HydrophobicContact CD2-CG1 3.92Å; R676-I775 CarbonylContact O-C 3.58Å; R676-I775 WeakPolarHBondContact O-CA 3.35Å; F678-I775 HydrophobicContact CD2-CG2 3.64Å; F678-I775 HydrophobicContact CE2-CG2 3.63Å; L693-I775 HydrophobicContact CD2-CD1 3.56Å; L693-I775 HydrophobicContact CD2-CG1 4.41Å; F707-I775 HydrophobicContact CE1-CD1 3.84Å; F707-I775 HydrophobicContact CZ-CD1 4.15Å; L740-I775 HydrophobicContact CD1-CG2 4.1Å; I762-I775 WeakPolarHBondContact CA-O 3.47Å; L763-I775 HydrophobicContact CB-CB 4.28Å; L763-I775 PolarHBondContact N-O 2.83Å; L763-I775 PolarHBondContact O-N 2.73Å; L765-I775 HydrophobicContact CB-CD1 3.98Å; L765-I775 HydrophobicContact CD1-CD1 4.26Å
776S96.9Very high92.1Very high44 Ų4441.2 Ų41.231%0.30821%0.211SC..EExtended strand (participates in β ladder)trans-84.2127.8177.1-176.20000109.9R676 E677 F678R676-S776 PolarHBondContact O-N 2.74Å; E677-S776 WeakPolarHBondContact CA-O 3.33Å; F678-S776 PolarHBondContact N-O 3.48Å
777V97.3Very high92.1Very high0 Ų038.3 Ų38.30%020%0.199CC..EExtended strand (participates in β ladder)trans-113.8123.8172.2178.90000107.7F678 F680 W720 L721 L740 E760 D761 L763F678-V777 HydrophobicContact CB-CG2 4.26Å; F680-V777 HydrophobicContact CD2-CG1 3.73Å; F680-V777 HydrophobicContact CE2-CG1 3.69Å; W720-V777 HydrophobicContact CH2-CG1 4.43Å; W720-V777 HydrophobicContact CZ3-CG1 4.17Å; L721-V777 HydrophobicContact CD1-CG1 4.2Å; L721-V777 HydrophobicContact CD1-CG2 4.41Å; L721-V777 HydrophobicContact CD2-CB 3.9Å; L721-V777 HydrophobicContact CD2-CG1 3.99Å; L721-V777 HydrophobicContact CD2-CG2 3.85Å; L740-V777 HydrophobicContact CD1-CG2 4.13Å; E760-V777 CarbonylContact C-O 3.54Å; E760-V777 WeakPolarHBondContact CA-O 3.45Å; D761-V777 PolarHBondContact N-O 2.78Å; D761-V777 PolarHBondContact O-N 3.03Å; L763-V777 HydrophobicContact CD1-CG2 4.16Å; L763-V777 HydrophobicContact CG-CG2 4.32Å
778T96.9Very high92.2Very high51 Ų5139 Ų3931%0.31320%0.202SC..EExtended strand (participates in β ladder)trans-131.3170.6179.263.60000110F678 H679 F680 I759F678-T778 PolarHBondContact O-N 3.49Å; F678-T778 PolarHBondContact O-OG1 2.92Å; F678-T778 VanDerWaalsContact O-OG1 3.07Å; H679-T778 CarbonylContact C-O 3.58Å; H679-T778 VanDerWaalsContact CA-O 3.3Å; H679-T778 WeakPolarHBondContact CA-O 3.44Å; H679-T778 PolarHBondContact ND1-OG1 3.41Å; F680-T778 PolarHBondContact N-O 3.41Å; I759-T778 CarbonylContact O-C 3.6Å; I759-T778 VanDerWaalsContact O-C 3.23Å; I759-T778 VanDerWaalsContact O-CA 3.24Å; I759-T778 WeakPolarHBondContact O-CA 3.19Å
779G94.2Very high92.7Very high21 Ų2135.4 Ų35.422%0.21619%0.186CC..EExtended strand (participates in β ladder)trans173.7177.6175.300000113.4F680 I759F680-G779 CarbonylContact O-C 3.5Å; F680-G779 WeakPolarHBondContact O-CA 3.46Å; I759-G779 PolarHBondContact O-N 3.44Å
780N93.2Very high93.6Very high55 Ų5530.6 Ų30.629%0.29417%0.168SC..EExtended strand (participates in β ladder)trans-113.4130.516667.3-72.8000109.7F680 K681 D682 V683F680-N780 PolarHBondContact O-N 3.4Å; K681-N780 WeakPolarHBondContact CA-OD1 3.49Å; D682-N780 PolarHBondContact N-ND2 3.18Å; D682-N780 PolarHBondContact N-O 2.98Å; D682-N780 PolarHBondContact N-OD1 3.29Å; D682-N780 PolarHBondContact OD1-ND2 3.46Å; V683-N780 PolarHBondContact N-O 3.39Å
781Y94.1Very high94.1Very high21 Ų2130.8 Ų30.88%0.08216%0.161CC..EExtended strand (participates in β ladder)trans-91.9137.2166.6176.4-103.3000109.5V683 V744 L752 N753V683-Y781 HydrophobicContact CB-CD2 4.37Å; V683-Y781 HydrophobicContact CG1-CD2 4.21Å; V683-Y781 WeakPolarHBondContact O-CA 3.43Å; V683-Y781 WeakPolarHBondContact O-CD2 3.38Å; V744-Y781 HydrophobicContact CB-CE2 4.06Å; V744-Y781 HydrophobicContact CG1-CD2 4.5Å; V744-Y781 HydrophobicContact CG1-CE2 3.72Å; V744-Y781 HydrophobicContact CG2-CD2 4.01Å; V744-Y781 HydrophobicContact CG2-CE2 4Å; L752-Y781 HydrophobicContact CB-CD1 3.6Å; L752-Y781 HydrophobicContact CB-CD2 4.46Å; L752-Y781 HydrophobicContact CB-CE1 3.58Å; L752-Y781 HydrophobicContact CB-CE2 4.46Å; L752-Y781 HydrophobicContact CB-CG 4.04Å; L752-Y781 HydrophobicContact CD1-CD2 4.4Å; L752-Y781 HydrophobicContact CD1-CE2 4.45Å; N753-Y781 WeakPolarHBondContact OD1-CE1 3.48Å; N753-Y781 PolarHBondContact OD1-OH 3.1Å
782L93.7Very high94.3Very high41 Ų4125.2 Ų25.222%0.21514%0.138CC..PPolyproline II helixtrans-96.5120.3172.6-61.4177.4000108.4D682 V683 K684D682-L782 HydrophobicContact CB-CD1 3.75Å; D682-L782 HydrophobicContact CB-CG 4.38Å; V683-L782 PolarHBondContact O-N 3.09Å; K684-L782 HydrophobicContact CG-CB 4.41Å; K684-L782 HydrophobicContact CG-CD1 4.22Å
783P92.8Very high94.3Very high21 Ų2121.6 Ų21.614%0.13612%0.118CC..PPolyproline II helixtrans-54.1148.9177.1-27.335.9000112.8I800 Q801 L808P783-I800 HydrophobicContact CB-CD1 4.01Å; P783-I800 HydrophobicContact CB-CG1 4.12Å; P783-Q801 WeakPolarHBondContact O-CG 3.28Å; P783-Q801 PolarHBondContact O-NE2 2.92Å; P783-L808 HydrophobicContact CB-CD1 3.91Å; P783-L808 HydrophobicContact CG-CD1 3.78Å
784S95.1Very high94.2Very high0 Ų020.9 Ų20.90%012%0.116CC..  trans-132.1149.5-179.9-169.20000111.5N753 Y786 T788 I800 D871N753-S784 PolarHBondContact ND2-O 2.85Å; N753-S784 PolarHBondContact OD1-N 3.18Å; N753-S784 VanDerWaalsContact OD1-N 3.15Å; S784-Y786 PolarHBondContact O-N 2.94Å; S784-Y786 PolarHBondContact OG-N 3.13Å; S784-T788 PolarHBondContact O-OG1 3.37Å; S784-I800 VanDerWaalsContact O-CD1 3.31Å; S784-I800 WeakPolarHBondContact O-CD1 3.3Å; S784-D871 VanDerWaalsContact CA-OD1 3.24Å; S784-D871 WeakPolarHBondContact CA-OD1 3.29Å; S784-D871 WeakPolarHBondContact CA-OD2 3.46Å; S784-D871 WeakPolarHBondContact CB-OD2 3.36Å; S784-D871 PolarHBondContact OG-OD1 3.21Å; S784-D871 PolarHBondContact OG-OD2 3.13Å
785C93.6Very high93.8Very high1 Ų117.1 Ų17.11%0.00710%0.099CC..SBendtrans-62.8-29.3172.171.50000110.4G787 T788 L793 E834 D871 F892C785-G787 PolarHBondContact O-N 3.39Å; C785-T788 PolarHBondContact O-N 2.84Å; C785-L793 HydrophobicContact CB-CD2 3.87Å; C785-E834 HydrophobicContact CB-CB 4.4Å; C785-E834 HydrophobicContact CB-CG 3.82Å; C785-D871 PolarHBondContact N-OD1 2.87Å; C785-F892 HydrophobicContact CB-CE2 4.28Å
786Y94.8Very high93.4Very high0 Ų017.1 Ų17.10%010%0.1CC..THydrogen-bonded Turntrans-66.3125.8167.2-65.6-96.3000110.6F685 N753 S784 T788 F863 R867 L870 A888 L891 F892 A895F685-Y786 AromaticContact CD1-CD1 3.97Å; F685-Y786 HydrophobicContact CD1-CD1 3.97Å; F685-Y786 HydrophobicContact CD1-CD2 4.17Å; F685-Y786 AromaticContact CD1-CG 3.56Å; F685-Y786 HydrophobicContact CD1-CG 3.56Å; F685-Y786 AromaticContact CE1-CD1 3.43Å; F685-Y786 HydrophobicContact CE1-CD1 3.43Å; F685-Y786 VanDerWaalsContact CE1-CD1 3.43Å; F685-Y786 HydrophobicContact CE1-CD2 4.46Å; F685-Y786 HydrophobicContact CE1-CE1 4.36Å; F685-Y786 AromaticContact CE1-CG 3.51Å; F685-Y786 HydrophobicContact CE1-CG 3.51Å; F685-Y786 HydrophobicContact CG-CG 4.41Å; F685-Y786 HydrophobicContact CZ-CD1 4.17Å; F685-Y786 HydrophobicContact CZ-CG 4.32Å; N753-Y786 PolarHBondContact ND2-O 2.84Å; S784-Y786 PolarHBondContact O-N 2.94Å; S784-Y786 PolarHBondContact OG-N 3.13Å; Y786-T788 VanDerWaalsContact C-N 3.34Å; Y786-F863 HydrophobicContact CD1-CZ 4.29Å; Y786-F863 AromaticContact CE1-CE2 3.8Å; Y786-F863 HydrophobicContact CE1-CE2 3.8Å; Y786-F863 AromaticContact CE1-CZ 3.93Å; Y786-F863 HydrophobicContact CE1-CZ 3.93Å; Y786-F863 HydrophobicContact CE2-CE2 4.48Å; Y786-F863 HydrophobicContact CE2-CZ 4.34Å; Y786-F863 AromaticContact CZ-CE2 3.78Å; Y786-F863 AromaticContact CZ-CZ 4Å; Y786-R867 HydrophobicContact CD2-CG 4.11Å; Y786-R867 HydrophobicContact CE2-CB 4.24Å; Y786-R867 HydrophobicContact CE2-CG 4.28Å; Y786-L870 HydrophobicContact CE2-CD1 3.89Å; Y786-A888 WeakPolarHBondContact CE1-O 3.3Å; Y786-A888 PolarHBondContact OH-O 2.78Å; Y786-L891 HydrophobicContact CE1-CB 4.06Å; Y786-F892 HydrophobicContact CD1-CB 4.11Å; Y786-F892 HydrophobicContact CD1-CD2 4.46Å; Y786-F892 VanDerWaalsContact CE1-CA 3.45Å; Y786-F892 HydrophobicContact CE1-CB 3.59Å; Y786-F892 HydrophobicContact CE1-CD2 4.38Å; Y786-A895 HydrophobicContact CD1-CB 4.45Å
787G93.4Very high92.7Very high2 Ų219.1 Ų19.12%0.02110%0.103CC..THydrogen-bonded Turntrans86.6-1.5-173.100000114.5P750 N753 C785 A895 P897P750-G787 VanDerWaalsContact CA-O 3.29Å; P750-G787 WeakPolarHBondContact CA-O 3.33Å; N753-G787 WeakPolarHBondContact ND2-CA 3.44Å; N753-G787 PolarHBondContact ND2-O 3.16Å; C785-G787 PolarHBondContact O-N 3.39Å; G787-A895 VanDerWaalsContact CA-O 3.29Å; G787-A895 WeakPolarHBondContact CA-O 3.49Å; G787-P897 WeakPolarHBondContact O-CG 2.95Å
788T93.8Very high92.3Very high13 Ų1324.7 Ų24.78%0.0813%0.129CC..  trans-98.9148.1176.9-59.60000110.5N753 S784 C785 Y786 L793 M796 I800 L896 P897N753-T788 PolarHBondContact ND2-N 3.08Å; N753-T788 PolarHBondContact ND2-OG1 3.01Å; S784-T788 PolarHBondContact O-OG1 3.37Å; C785-T788 PolarHBondContact O-N 2.84Å; Y786-T788 VanDerWaalsContact C-N 3.34Å; T788-L793 HydrophobicContact CG2-CD2 4.02Å; T788-L793 HydrophobicContact CG2-CG 3.94Å; T788-M796 HydrophobicContact CG2-CE 4.02Å; T788-I800 HydrophobicContact CG2-CD1 4.26Å; T788-I800 WeakPolarHBondContact OG1-CD1 3.31Å; T788-L896 WeakPolarHBondContact O-CD2 3.24Å; T788-P897 WeakPolarHBondContact O-CD 3.49Å
789S93Very high92Very high4 Ų423.1 Ų23.13%0.02812%0.119CC..  trans-75.5152.2-175.658.20000113.2Y791 S792 L793 E815S789-Y791 PolarHBondContact O-N 3.07Å; S789-S792 PolarHBondContact O-N 3.37Å; S789-S792 WeakPolarHBondContact OG-CB 3.38Å; S789-S792 PolarHBondContact OG-N 2.92Å; S789-S792 PolarHBondContact OG-OG 3.26Å; S789-L793 WeakPolarHBondContact O-CG 3.39Å; S789-L793 PolarHBondContact O-N 3.36Å; S789-E815 WeakPolarHBondContact CB-OE1 3.3Å; S789-E815 WeakPolarHBondContact CB-OE2 3.41Å; S789-E815 VanDerWaalsContact OG-CD 3.22Å; S789-E815 PolarHBondContact OG-OE1 3.35Å; S789-E815 PolarHBondContact OG-OE2 2.91Å
790I93.5Very high91.9Very high2 Ų222.2 Ų22.21%0.0111%0.109CC..Hα-helixtrans-57.3-40.3176.4-64.8173.5000110.4C794 P832 L896 V900 F929 V933I790-C794 WeakPolarHBondContact O-CB 3.26Å; I790-C794 PolarHBondContact O-N 2.81Å; I790-C794 PolarHBondContact O-SG 2.76Å; I790-C794 VanDerWaalsContact O-SG 3.34Å; I790-P832 HydrophobicContact CG2-CG 4.16Å; I790-L896 HydrophobicContact CD1-CD1 3.88Å; I790-L896 HydrophobicContact CG1-CD1 4.03Å; I790-L896 HydrophobicContact CG1-CD2 4.09Å; I790-V900 HydrophobicContact CD1-CG2 4.1Å; I790-F929 HydrophobicContact CG2-CB 3.65Å; I790-V933 HydrophobicContact CD1-CB 4.44Å; I790-V933 HydrophobicContact CD1-CG1 4.25Å; I790-V933 HydrophobicContact CD1-CG2 4.4Å; I790-V933 HydrophobicContact CG2-CG2 3.98Å
791Y91.3Very high91.7Very high31 Ų3122.3 Ų22.312%0.12211%0.108CC..Hα-helixtrans-57.5-54175.9-179.8-89.3000111.4S789 L793 C794 H795 A814 E815 F929S789-Y791 PolarHBondContact O-N 3.07Å; Y791-L793 PolarHBondContact O-N 2.91Å; Y791-C794 PolarHBondContact O-N 2.68Å; Y791-H795 AromaticContact CD2-CE1 3.85Å; Y791-H795 AromaticContact CE1-CE1 3.93Å; Y791-H795 AromaticContact CE1-ND1 3.93Å; Y791-H795 AromaticContact CE2-CE1 3.51Å; Y791-H795 AromaticContact CZ-CE1 3.55Å; Y791-H795 PolarHBondContact O-N 2.7Å; Y791-H795 PolarHBondContact O-ND1 2.73Å; Y791-A814 HydrophobicContact CE1-CB 4.19Å; Y791-E815 WeakPolarHBondContact CB-OE1 3.34Å; Y791-E815 HydrophobicContact CD1-CB 3.66Å; Y791-E815 HydrophobicContact CD1-CG 4.15Å; Y791-E815 HydrophobicContact CE1-CB 4.07Å; Y791-E815 HydrophobicContact CG-CB 4.13Å; Y791-E815 HydrophobicContact CG-CG 4.12Å; Y791-F929 HydrophobicContact CD2-CD2 4.21Å; Y791-F929 AromaticContact CD2-CE2 3.96Å; Y791-F929 HydrophobicContact CD2-CE2 3.96Å; Y791-F929 HydrophobicContact CE2-CE2 4.33Å
792S90.8Very high91.4Very high6 Ų626.6 Ų26.64%0.04213%0.132CC..Hα-helixtrans-62.8-43.4-178.4-57.30000111.9S789 C794 H795 M796S789-S792 PolarHBondContact O-N 3.37Å; S789-S792 WeakPolarHBondContact OG-CB 3.38Å; S789-S792 PolarHBondContact OG-N 2.92Å; S789-S792 PolarHBondContact OG-OG 3.26Å; S792-C794 VanDerWaalsContact C-N 3.32Å; S792-C794 PolarHBondContact O-N 2.82Å; S792-H795 PolarHBondContact O-N 2.96Å; S792-H795 VanDerWaalsContact O-N 3.12Å; S792-M796 WeakPolarHBondContact O-CG 3.32Å; S792-M796 PolarHBondContact O-N 3.04Å; S792-M796 VanDerWaalsContact O-N 3.15Å
793L92.9Very high91Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-63.4-34.1178.8-66.7167.6000113.1C785 T788 S789 Y791 H795 M796 P832 F892C785-L793 HydrophobicContact CB-CD2 3.87Å; T788-L793 HydrophobicContact CG2-CD2 4.02Å; T788-L793 HydrophobicContact CG2-CG 3.94Å; S789-L793 WeakPolarHBondContact O-CG 3.39Å; S789-L793 PolarHBondContact O-N 3.36Å; Y791-L793 PolarHBondContact O-N 2.91Å; L793-H795 VanDerWaalsContact C-N 3.3Å; L793-H795 PolarHBondContact O-N 2.82Å; L793-M796 HydrophobicContact CD2-CE 3.74Å; L793-M796 HydrophobicContact CG-CE 4.4Å; L793-M796 PolarHBondContact O-N 3.34Å; L793-P832 HydrophobicContact CB-CB 3.86Å; L793-P832 HydrophobicContact CB-CG 3.98Å; L793-P832 HydrophobicContact CD1-CB 4.33Å; L793-P832 HydrophobicContact CD1-CG 4.43Å; L793-F892 HydrophobicContact CD1-CE2 3.99Å; L793-F892 HydrophobicContact CD1-CZ 3.67Å
794C92.7Very high90.6Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-70.5-22.5175.1-73.70000113.8I790 Y791 S792 P828 L829 F929I790-C794 WeakPolarHBondContact O-CB 3.26Å; I790-C794 PolarHBondContact O-N 2.81Å; I790-C794 PolarHBondContact O-SG 2.76Å; I790-C794 VanDerWaalsContact O-SG 3.34Å; Y791-C794 PolarHBondContact O-N 2.68Å; S792-C794 VanDerWaalsContact C-N 3.32Å; S792-C794 PolarHBondContact O-N 2.82Å; C794-P828 WeakPolarHBondContact O-CB 3.17Å; C794-L829 WeakPolarHBondContact CB-O 3.41Å; C794-L829 WeakPolarHBondContact O-CB 3.34Å; C794-L829 PolarHBondContact O-N 3.48Å; C794-F929 HydrophobicContact CB-CD1 3.71Å; C794-F929 HydrophobicContact CB-CE1 3.83Å; C794-F929 HydrophobicContact CB-CG 4.08Å; C794-F929 HydrophobicContact CB-CZ 4.31Å; C794-F929 VanDerWaalsContact SG-CD1 3.58Å
795H89Confident89.8Confident46 Ų4634.7 Ų34.721%0.21317%0.172CC..Hα-helixtrans-90.9-18.2176.6-67.285000113Y791 S792 L793 L811 F929Y791-H795 AromaticContact CD2-CE1 3.85Å; Y791-H795 AromaticContact CE1-CE1 3.93Å; Y791-H795 AromaticContact CE1-ND1 3.93Å; Y791-H795 AromaticContact CE2-CE1 3.51Å; Y791-H795 AromaticContact CZ-CE1 3.55Å; Y791-H795 PolarHBondContact O-N 2.7Å; Y791-H795 PolarHBondContact O-ND1 2.73Å; S792-H795 PolarHBondContact O-N 2.96Å; S792-H795 VanDerWaalsContact O-N 3.12Å; L793-H795 VanDerWaalsContact C-N 3.3Å; L793-H795 PolarHBondContact O-N 2.82Å; H795-L811 HydrophobicContact CB-CD2 3.76Å; H795-F929 AromaticContact CE1-CE2 3.75Å; H795-F929 AromaticContact CE1-CZ 3.8Å
796M88.4Confident89.2Confident1 Ų140.5 Ų40.51%0.00520%0.199CC..  trans-89.2106.5177.4-66.4-174.7-59.300111.9T788 S792 L793 I800 M803 L808 L811 K833T788-M796 HydrophobicContact CG2-CE 4.02Å; S792-M796 WeakPolarHBondContact O-CG 3.32Å; S792-M796 PolarHBondContact O-N 3.04Å; S792-M796 VanDerWaalsContact O-N 3.15Å; L793-M796 HydrophobicContact CD2-CE 3.74Å; L793-M796 HydrophobicContact CG-CE 4.4Å; L793-M796 PolarHBondContact O-N 3.34Å; M796-I800 HydrophobicContact CE-CD1 4.11Å; M796-I800 HydrophobicContact CE-CG1 4Å; M796-I800 HydrophobicContact SD-CG1 4.13Å; M796-M803 HydrophobicContact CG-CE 4.2Å; M796-M803 HydrophobicContact CG-CG 4.29Å; M796-M803 HydrophobicContact CG-SD 4.43Å; M796-M803 HydrophobicContact SD-CG 3.89Å; M796-L808 HydrophobicContact CE-CD2 4.4Å; M796-L808 HydrophobicContact SD-CD2 3.34Å; M796-L808 WeakPolarHBondContact SD-CD2 3.39Å; M796-L811 HydrophobicContact CG-CD1 3.65Å; M796-L811 HydrophobicContact SD-CD1 4.16Å; M796-K833 PolarHBondContact O-NZ 2.8Å
797K83.4Confident88.6Confident86 Ų8642.6 Ų42.637%0.37421%0.212SC..  trans-74.1-42.8174.2-68.7-179.2178.4177.70112.8E826 K833K797-E826 IonicContact NZ-OE1 2.73Å; K797-E826 PolarHBondContact NZ-OE1 3.48Å; K797-E826 IonicContact NZ-OE2 2.91Å; K797-E826 PolarHBondContact NZ-OE2 3.17Å; K797-K833 VanDerWaalsContact O-CD 3.23Å; K797-K833 WeakPolarHBondContact O-CD 3.24Å; K797-K833 WeakPolarHBondContact O-CE 3.23Å
798E87.8Confident88Confident117 Ų11743 Ų4355%0.54721%0.214SC..SBendtrans-82.4163.6178-53.9-47.6138.100111.9M803 K833E798-M803 HydrophobicContact CB-SD 4.28Å; E798-K833 WeakPolarHBondContact O-CE 3.47Å; E798-K833 PolarHBondContact O-NZ 2.77Å
799P90.7Very high87.3Confident17 Ų1745.7 Ų45.711%0.1123%0.227CC..  trans-58.5149.9173.1-21.233.6000112.4Q801 D802 D871P799-Q801 PolarHBondContact O-N 2.87Å; P799-D802 WeakPolarHBondContact CD-OD2 3.34Å; P799-D802 WeakPolarHBondContact CG-OD2 3.37Å; P799-D802 PolarHBondContact O-N 3.33Å; P799-D802 VanDerWaalsContact O-N 3.1Å; P799-D871 VanDerWaalsContact CB-O 3.27Å; P799-D871 WeakPolarHBondContact CB-O 3.42Å
800I91.4Very high86.8Confident2 Ų251.3 Ų51.31%0.0125%0.253CS..G310 helixtrans-65.2-26.5-171.6-160.7177.5000113.4P783 S784 T788 M796 D802 M803 L808 D871P783-I800 HydrophobicContact CB-CD1 4.01Å; P783-I800 HydrophobicContact CB-CG1 4.12Å; S784-I800 VanDerWaalsContact O-CD1 3.31Å; S784-I800 WeakPolarHBondContact O-CD1 3.3Å; T788-I800 HydrophobicContact CG2-CD1 4.26Å; T788-I800 WeakPolarHBondContact OG1-CD1 3.31Å; M796-I800 HydrophobicContact CE-CD1 4.11Å; M796-I800 HydrophobicContact CE-CG1 4Å; M796-I800 HydrophobicContact SD-CG1 4.13Å; I800-D802 VanDerWaalsContact C-N 3.32Å; I800-M803 PolarHBondContact O-N 3.43Å; I800-L808 HydrophobicContact CD1-CD2 4.34Å; I800-L808 HydrophobicContact CG1-CD1 4.29Å; I800-L808 HydrophobicContact CG1-CD2 3.85Å; I800-D871 HydrophobicContact CG2-CB 4.1Å; I800-D871 PolarHBondContact N-O 3.49Å
801Q89.6Confident86.3Confident57 Ų5752.3 Ų52.327%0.26626%0.258SS..G310 helixtrans-79.9-12.9178.4-69.3179.5800113.6P783 P799 D871P783-Q801 WeakPolarHBondContact O-CG 3.28Å; P783-Q801 PolarHBondContact O-NE2 2.92Å; P799-Q801 PolarHBondContact O-N 2.87Å; Q801-D871 WeakPolarHBondContact CB-O 3.32Å; Q801-D871 HydrophobicContact CG-CB 4.12Å; Q801-D871 PolarHBondContact N-O 3.31Å
802D88Confident85.8Confident111 Ų11152.3 Ų52.359%0.59426%0.259SS*.G310 helixtrans-89.2-9.7170.9-62.8-53.2000112.6P799 I800P799-D802 WeakPolarHBondContact CD-OD2 3.34Å; P799-D802 WeakPolarHBondContact CG-OD2 3.37Å; P799-D802 PolarHBondContact O-N 3.33Å; P799-D802 VanDerWaalsContact O-N 3.1Å; I800-D802 VanDerWaalsContact C-N 3.32Å
803M85.1Confident85.3Confident42 Ų4257.6 Ų57.621%0.20728%0.283CS..SBendtrans-83135.1-179.3-64.5-63.1-57.200112.2M796 E798 I800 T807 L808M796-M803 HydrophobicContact CG-CE 4.2Å; M796-M803 HydrophobicContact CG-CG 4.29Å; M796-M803 HydrophobicContact CG-SD 4.43Å; M796-M803 HydrophobicContact SD-CG 3.89Å; E798-M803 HydrophobicContact CB-SD 4.28Å; I800-M803 PolarHBondContact O-N 3.43Å; M803-T807 HydrophobicContact CE-CG2 3.59Å; M803-L808 HydrophobicContact CB-CD2 3.92Å; M803-L808 HydrophobicContact CB-CG 4.25Å; M803-L808 HydrophobicContact CG-CD2 4.49Å
804P83.8Confident84.6Confident68 Ų6858.1 Ų58.144%0.44229%0.287SS..  trans-59.6142.3171.6-2434.5000112.8E806 T807 L808P804-E806 PolarHBondContact O-N 3.39Å; P804-T807 PolarHBondContact O-N 3.34Å; P804-T807 VanDerWaalsContact O-N 3.11Å; P804-L808 PolarHBondContact O-N 2.96Å
805K78.6Confident83.8Confident122 Ų12260.3 Ų60.353%0.5330%0.297SS..Hα-helixtrans-56.1-36.9178.3-79.7-170169.5-168.30112.1E758 L808 L809E758-K805 IonicContact OE1-NZ 3.09Å; E758-K805 PolarHBondContact OE1-NZ 3.48Å; K805-L808 PolarHBondContact O-N 2.92Å; K805-L809 PolarHBondContact O-N 2.94Å; K805-L809 VanDerWaalsContact O-N 3.07Å
806E81Confident82.9Confident124 Ų12465.2 Ų65.258%0.57932%0.318SS*.Hα-helixtrans-60.8-47.1179.2-6468.7-154.100110.4P804 L808 L809 E810P804-E806 PolarHBondContact O-N 3.39Å; E806-L808 PolarHBondContact O-N 2.7Å; E806-L809 WeakPolarHBondContact O-CB 3.23Å; E806-L809 PolarHBondContact O-N 3.31Å; E806-L809 VanDerWaalsContact O-N 3.16Å; E806-E810 WeakPolarHBondContact O-CG 3.24Å; E806-E810 PolarHBondContact O-N 2.95Å
807T82.3Confident81.7Confident43 Ų4367.8 Ų67.826%0.26434%0.336SS..Hα-helixtrans-66.4-36.1178.2-51.30000112.3M803 P804 L809 E810 L811M803-T807 HydrophobicContact CE-CG2 3.59Å; P804-T807 PolarHBondContact O-N 3.34Å; P804-T807 VanDerWaalsContact O-N 3.11Å; T807-L809 VanDerWaalsContact C-N 3.31Å; T807-L809 PolarHBondContact O-N 2.98Å; T807-E810 PolarHBondContact O-N 2.97Å; T807-L811 HydrophobicContact CG2-CD1 4.45Å; T807-L811 WeakPolarHBondContact O-CG 3.27Å; T807-L811 PolarHBondContact O-N 3.24Å
808L80.5Confident80.4Confident12 Ų1271.3 Ų71.36%0.06336%0.358CS..Hα-helixtrans-63.6-37.3173-61.8179.6000112P783 M796 I800 M803 P804 K805 E806 H812P783-L808 HydrophobicContact CB-CD1 3.91Å; P783-L808 HydrophobicContact CG-CD1 3.78Å; M796-L808 HydrophobicContact CE-CD2 4.4Å; M796-L808 HydrophobicContact SD-CD2 3.34Å; M796-L808 WeakPolarHBondContact SD-CD2 3.39Å; I800-L808 HydrophobicContact CD1-CD2 4.34Å; I800-L808 HydrophobicContact CG1-CD1 4.29Å; I800-L808 HydrophobicContact CG1-CD2 3.85Å; M803-L808 HydrophobicContact CB-CD2 3.92Å; M803-L808 HydrophobicContact CB-CG 4.25Å; M803-L808 HydrophobicContact CG-CD2 4.49Å; P804-L808 PolarHBondContact O-N 2.96Å; K805-L808 PolarHBondContact O-N 2.92Å; E806-L808 PolarHBondContact O-N 2.7Å; L808-H812 PolarHBondContact O-N 2.97Å
809L80.1Confident78.6Confident68 Ų6870.4 Ų70.436%0.35636%0.357SS..Hα-helixtrans-72.5-38.5175.9176.862.4000112K805 E806 T807 H812 Q813K805-L809 PolarHBondContact O-N 2.94Å; K805-L809 VanDerWaalsContact O-N 3.07Å; E806-L809 WeakPolarHBondContact O-CB 3.23Å; E806-L809 PolarHBondContact O-N 3.31Å; E806-L809 VanDerWaalsContact O-N 3.16Å; T807-L809 VanDerWaalsContact C-N 3.31Å; T807-L809 PolarHBondContact O-N 2.98Å; L809-H812 PolarHBondContact O-N 3.08Å; L809-Q813 WeakPolarHBondContact O-CG 3.45Å; L809-Q813 PolarHBondContact O-N 3.22Å; L809-Q813 VanDerWaalsContact O-N 3.1Å
810E82.3Confident76.7Confident123 Ų12376.3 Ų76.358%0.57539%0.388SS*.Hα-helixtrans-63.1-48.1175.6-74.2169.7161.700111.8E806 T807 H812 Q813 A814E806-E810 WeakPolarHBondContact O-CG 3.24Å; E806-E810 PolarHBondContact O-N 2.95Å; T807-E810 PolarHBondContact O-N 2.97Å; E810-H812 VanDerWaalsContact C-N 3.32Å; E810-H812 PolarHBondContact O-N 3.33Å; E810-Q813 PolarHBondContact O-N 3.12Å; E810-A814 PolarHBondContact O-N 3.04Å
811L82.6Confident74.6Confident22 Ų2283.4 Ų83.412%0.11543%0.426CS..Hα-helixtrans-59.4-41.2176.5-71.9172.9000112.2H795 M796 T807 Q813 A814 E815H795-L811 HydrophobicContact CB-CD2 3.76Å; M796-L811 HydrophobicContact CG-CD1 3.65Å; M796-L811 HydrophobicContact SD-CD1 4.16Å; T807-L811 HydrophobicContact CG2-CD1 4.45Å; T807-L811 WeakPolarHBondContact O-CG 3.27Å; T807-L811 PolarHBondContact O-N 3.24Å; L811-Q813 VanDerWaalsContact C-N 3.28Å; L811-Q813 PolarHBondContact O-N 3.44Å; L811-A814 PolarHBondContact O-N 3.18Å; L811-E815 PolarHBondContact O-N 3.06Å
812H80.6Confident72.5Confident31 Ų3183.1 Ų83.114%0.14443%0.433CS..Hα-helixtrans-67.8-25.3176.1-173.579.2000113.4C754 K756 L808 L809 E810 K816C754-H812 HydrophobicContact CB-CB 3.82Å; K756-H812 WeakPolarHBondContact CE-NE2 3.32Å; L808-H812 PolarHBondContact O-N 2.97Å; L809-H812 PolarHBondContact O-N 3.08Å; E810-H812 VanDerWaalsContact C-N 3.32Å; E810-H812 PolarHBondContact O-N 3.33Å; H812-K816 WeakPolarHBondContact NE2-CE 3.44Å
813Q80.5Confident70.5Confident118 Ų11882.6 Ų82.655%0.55144%0.444SS*.Hα-helixtrans-80.6-40.4172.1-72.5-179.649.400111.9L809 E810 L811 E815 K816 S817L809-Q813 WeakPolarHBondContact O-CG 3.45Å; L809-Q813 PolarHBondContact O-N 3.22Å; L809-Q813 VanDerWaalsContact O-N 3.1Å; E810-Q813 PolarHBondContact O-N 3.12Å; L811-Q813 VanDerWaalsContact C-N 3.28Å; L811-Q813 PolarHBondContact O-N 3.44Å; Q813-E815 PolarHBondContact O-N 2.85Å; Q813-K816 PolarHBondContact O-N 2.85Å; Q813-S817 PolarHBondContact O-N 2.79Å; Q813-S817 VanDerWaalsContact O-N 3.1Å
814A78.2Confident68.9Low10 Ų1085.3 Ų85.38%0.08346%0.463CS..Hα-helixtrans-56.8-50175.900000111.3Y791 E810 L811 K816 S817 L818 A822Y791-A814 HydrophobicContact CE1-CB 4.19Å; E810-A814 PolarHBondContact O-N 3.04Å; L811-A814 PolarHBondContact O-N 3.18Å; A814-K816 PolarHBondContact O-N 3.4Å; A814-K816 VanDerWaalsContact O-N 3.16Å; A814-S817 WeakPolarHBondContact O-CB 3.34Å; A814-S817 PolarHBondContact O-N 3.33Å; A814-S817 PolarHBondContact O-OG 2.95Å; A814-L818 PolarHBondContact O-N 2.97Å; A814-A822 HydrophobicContact CB-CB 3.8Å
815E76.4Confident67.5Low47 Ų4790.7 Ų90.722%0.2249%0.488CS..Hα-helixtrans-51.6-39.8176.6-176.9171.3-150.400112.9S789 Y791 L811 Q813S789-E815 WeakPolarHBondContact CB-OE1 3.3Å; S789-E815 WeakPolarHBondContact CB-OE2 3.41Å; S789-E815 VanDerWaalsContact OG-CD 3.22Å; S789-E815 PolarHBondContact OG-OE1 3.35Å; S789-E815 PolarHBondContact OG-OE2 2.91Å; Y791-E815 WeakPolarHBondContact CB-OE1 3.34Å; Y791-E815 HydrophobicContact CD1-CB 3.66Å; Y791-E815 HydrophobicContact CD1-CG 4.15Å; Y791-E815 HydrophobicContact CE1-CB 4.07Å; Y791-E815 HydrophobicContact CG-CB 4.13Å; Y791-E815 HydrophobicContact CG-CG 4.12Å; L811-E815 PolarHBondContact O-N 3.06Å; Q813-E815 PolarHBondContact O-N 2.85Å
816K70.6Confident66.8Low149 Ų14990.8 Ų90.865%0.64849%0.491SS*.Hα-helixtrans-80.1-18.8179.1-73.5-175170.8-169.60114.5H812 Q813 A814H812-K816 WeakPolarHBondContact NE2-CE 3.44Å; Q813-K816 PolarHBondContact O-N 2.85Å; A814-K816 PolarHBondContact O-N 3.4Å; A814-K816 VanDerWaalsContact O-N 3.16Å
817S62.7Low66.8Low55 Ų5591.5 Ų91.539%0.38549%0.492SS..Hα-helixtrans-83.8-22-176.575.80000113.6Q813 A814 N819Q813-S817 PolarHBondContact O-N 2.79Å; Q813-S817 VanDerWaalsContact O-N 3.1Å; A814-S817 WeakPolarHBondContact O-CB 3.34Å; A814-S817 PolarHBondContact O-N 3.33Å; A814-S817 PolarHBondContact O-OG 2.95Å; S817-N819 PolarHBondContact O-N 3.36Å; S817-N819 PolarHBondContact OG-N 2.68Å
818L56.4Low67Low160 Ų16091.1 Ų91.184%0.83849%0.49SS*.THydrogen-bonded Turntrans56.320.8-169.9-63.1172.6000114.4A814A814-L818 PolarHBondContact O-N 2.97Å
819N49.2Very low67.5Low98 Ų9893.1 Ų93.152%0.52450%0.501SS..  trans-96.1109.7169.7-63.9-32.5000109.4S817 D821S817-N819 PolarHBondContact O-N 3.36Å; S817-N819 PolarHBondContact OG-N 2.68Å; N819-D821 PolarHBondContact O-N 3.41Å
820D51Low68Low140 Ų14094.2 Ų94.275%0.74951%0.507SS*.THydrogen-bonded Turntrans-69.2-9170.9-76-35.8000112.7A822D820-A822 PolarHBondContact O-N 3.3Å
821D46.6Very low68.5Low152 Ų15289.8 Ų89.881%0.81349%0.487SS*.THydrogen-bonded Turntrans-7413.3-179.2-61.5-47.2000114.5N819 A823N819-D821 PolarHBondContact O-N 3.41Å; D821-A823 VanDerWaalsContact C-N 3.28Å; D821-A823 PolarHBondContact O-N 3.12Å
822A45.5Very low69.1Low51 Ų5188.8 Ų88.842%0.42148%0.482SS..SBendtrans-80.359.6-172.200000114.6A814 D820 T824A814-A822 HydrophobicContact CB-CB 3.8Å; D820-A822 PolarHBondContact O-N 3.3Å; A822-T824 PolarHBondContact O-N 3.28Å
823A46.6Very low69.7Low100 Ų10089.1 Ų89.183%0.82648%0.483SS*.SBendtrans55.442.7148.400000119.8D821D821-A823 VanDerWaalsContact C-N 3.28Å; D821-A823 PolarHBondContact O-N 3.12Å
824T52.2Low70.3Confident98 Ų9883.5 Ų83.560%0.60146%0.457SS*.  trans-127.3125.8156.252.50000111.6A822 E826A822-T824 PolarHBondContact O-N 3.28Å; T824-E826 PolarHBondContact O-N 2.91Å; T824-E826 VanDerWaalsContact O-N 3.08Å
825D53.1Low71Confident182 Ų18283.1 Ų83.197%0.97345%0.453SS*.SBendtrans-72.47.1-179.2-109.4-22.3000114.1
826E65Low71.8Confident123 Ų12386.3 Ų86.358%0.57546%0.463SS*.SBendtrans-121.4139.5-171.9-60.5-158101.600112.6K797 T824K797-E826 IonicContact NZ-OE1 2.73Å; K797-E826 PolarHBondContact NZ-OE1 3.48Å; K797-E826 IonicContact NZ-OE2 2.91Å; K797-E826 PolarHBondContact NZ-OE2 3.17Å; T824-E826 PolarHBondContact O-N 2.91Å; T824-E826 VanDerWaalsContact O-N 3.08Å
827K80.9Confident72.8Confident139 Ų13981.2 Ų81.260%0.60444%0.442SS*.PPolyproline II helixtrans-63.5129.7178.8-167.5-142.6167.5-160.80110.9D830K827-D830 IonicContact NZ-OD1 2.74Å; K827-D830 PolarHBondContact NZ-OD1 3.34Å; K827-D830 IonicContact NZ-OD2 2.69Å; K827-D830 PolarHBondContact NZ-OD2 3.12Å
828P87.2Confident74.2Confident36 Ų3678.8 Ų78.823%0.23443%0.425CS..PPolyproline II helixtrans-66.4162.9171.226.7-34.8000113C794 F929C794-P828 WeakPolarHBondContact O-CB 3.17Å; P828-F929 HydrophobicContact CB-CE1 4.16Å; P828-F929 HydrophobicContact CB-CZ 4.05Å; P828-F929 HydrophobicContact CG-CE1 4.13Å; P828-F929 HydrophobicContact CG-CZ 3.81Å
829L90.5Very high75.9Confident53 Ų5371.3 Ų71.328%0.27739%0.386SS..PPolyproline II helixtrans-69.8145176-56.1177.1000110.9C794 I831 K833 F929C794-L829 WeakPolarHBondContact CB-O 3.41Å; C794-L829 WeakPolarHBondContact O-CB 3.34Å; C794-L829 PolarHBondContact O-N 3.48Å; L829-I831 VanDerWaalsContact C-N 3.3Å; L829-I831 WeakPolarHBondContact CB-O 3.4Å; L829-I831 PolarHBondContact O-N 3.39Å; L829-K833 HydrophobicContact CD1-CB 4.14Å; L829-F929 WeakPolarHBondContact O-CD1 3.44Å; L829-F929 VanDerWaalsContact O-CE1 3.29Å; L829-F929 WeakPolarHBondContact O-CE1 3.38Å
830D89.6Confident77.8Confident91 Ų9168.2 Ų68.249%0.48737%0.369SS..SBendtrans-73.1-23.1180-62.1-66.6000112.7K827 N932K827-D830 IonicContact NZ-OD1 2.74Å; K827-D830 PolarHBondContact NZ-OD1 3.34Å; K827-D830 IonicContact NZ-OD2 2.69Å; K827-D830 PolarHBondContact NZ-OD2 3.12Å; D830-N932 WeakPolarHBondContact O-CB 3.31Å; D830-N932 PolarHBondContact O-ND2 3.24Å
831I93.5Very high79.6Confident31 Ų3163.5 Ų63.516%0.15934%0.342CS..SBendtrans-146159.2170.256.2173.2000110.2L829 W836 N932 V933 Y936L829-I831 VanDerWaalsContact C-N 3.3Å; L829-I831 WeakPolarHBondContact CB-O 3.4Å; L829-I831 PolarHBondContact O-N 3.39Å; I831-W836 HydrophobicContact CD1-CB 3.97Å; I831-N932 HydrophobicContact CG2-CB 3.76Å; I831-V933 HydrophobicContact CB-CG2 4.31Å; I831-V933 HydrophobicContact CG2-CG2 4Å; I831-Y936 HydrophobicContact CD1-CD1 3.59Å; I831-Y936 HydrophobicContact CD1-CD2 4.1Å; I831-Y936 HydrophobicContact CD1-CE1 3.64Å; I831-Y936 HydrophobicContact CD1-CE2 4.17Å; I831-Y936 HydrophobicContact CD1-CG 3.83Å
832P95.1Very high81.6Confident1 Ų156.3 Ų56.31%0.00630%0.304CS..  trans-57.7136.1173.2-27.537.9000112.9I790 L793 E834 L835 W836 V933I790-P832 HydrophobicContact CG2-CG 4.16Å; L793-P832 HydrophobicContact CB-CB 3.86Å; L793-P832 HydrophobicContact CB-CG 3.98Å; L793-P832 HydrophobicContact CD1-CB 4.33Å; L793-P832 HydrophobicContact CD1-CG 4.43Å; P832-E834 VanDerWaalsContact C-N 3.31Å; P832-E834 WeakPolarHBondContact CB-OE2 3.41Å; P832-E834 PolarHBondContact O-N 3.25Å; P832-L835 HydrophobicContact CB-CB 4.03Å; P832-L835 PolarHBondContact O-N 3.16Å; P832-W836 PolarHBondContact O-N 3.21Å; P832-V933 HydrophobicContact CG-CG2 4.35Å
833K92.1Very high83.6Confident37 Ų3758.8 Ų58.816%0.16131%0.305CS..Hα-helixtrans-65.8-34.2-178.961.5-174.6-174-65.20112.6M796 K797 E798 L829 W836 M837M796-K833 PolarHBondContact O-NZ 2.8Å; K797-K833 VanDerWaalsContact O-CD 3.23Å; K797-K833 WeakPolarHBondContact O-CD 3.24Å; K797-K833 WeakPolarHBondContact O-CE 3.23Å; E798-K833 WeakPolarHBondContact O-CE 3.47Å; E798-K833 PolarHBondContact O-NZ 2.77Å; L829-K833 HydrophobicContact CD1-CB 4.14Å; K833-W836 PolarHBondContact O-N 2.83Å; K833-M837 WeakPolarHBondContact O-CB 3.14Å; K833-M837 VanDerWaalsContact O-CG 3.28Å; K833-M837 WeakPolarHBondContact O-CG 2.91Å; K833-M837 PolarHBondContact O-N 2.93Å
834E93.6Very high85.5Confident1 Ų161.5 Ų61.51%0.00529%0.294CS..Hα-helixtrans-68.7-41.1-179.9-5179.5-173.500110.9C785 P832 M837 M838 L870 F892C785-E834 HydrophobicContact CB-CB 4.4Å; C785-E834 HydrophobicContact CB-CG 3.82Å; P832-E834 VanDerWaalsContact C-N 3.31Å; P832-E834 WeakPolarHBondContact CB-OE2 3.41Å; P832-E834 PolarHBondContact O-N 3.25Å; E834-M837 PolarHBondContact O-N 2.82Å; E834-M838 WeakPolarHBondContact O-CE 3.19Å; E834-M838 PolarHBondContact O-N 3.43Å; E834-M838 VanDerWaalsContact O-N 3.13Å; E834-L870 HydrophobicContact CB-CD2 4.17Å; E834-F892 HydrophobicContact CB-CE2 4.42Å
835L94.3Very high86.9Confident1 Ų159.9 Ų59.91%0.00528%0.282CS..Hα-helixtrans-63.8-47.1172.2-175.979.4000110.9P832 M837 M838 V839 L889 F892 L893 V933 Y936 L937P832-L835 HydrophobicContact CB-CB 4.03Å; P832-L835 PolarHBondContact O-N 3.16Å; L835-M837 VanDerWaalsContact C-N 3.34Å; L835-M837 PolarHBondContact O-N 2.87Å; L835-M838 PolarHBondContact O-N 3.49Å; L835-V839 WeakPolarHBondContact O-CB 3.41Å; L835-V839 VanDerWaalsContact O-CG2 3.32Å; L835-V839 WeakPolarHBondContact O-CG2 3.21Å; L835-V839 PolarHBondContact O-N 2.72Å; L835-L889 HydrophobicContact CD1-CD1 3.55Å; L835-F892 HydrophobicContact CB-CE1 4.11Å; L835-F892 HydrophobicContact CB-CZ 4.45Å; L835-F892 HydrophobicContact CD1-CD1 3.94Å; L835-F892 HydrophobicContact CD1-CE1 3.81Å; L835-L893 HydrophobicContact CD1-CD2 4.14Å; L835-V933 HydrophobicContact CD2-CB 4.25Å; L835-V933 HydrophobicContact CD2-CG1 3.7Å; L835-V933 HydrophobicContact CD2-CG2 3.84Å; L835-Y936 HydrophobicContact CD2-CD1 4.31Å; L835-L937 HydrophobicContact CD1-CD2 4.33Å
836W93.3Very high88Confident115 Ų11551.4 Ų51.444%0.43624%0.237SC..Hα-helixtrans-58.4-45.5176.7173.275.6000111.4I831 P832 K833 V839 D840 Y936I831-W836 HydrophobicContact CD1-CB 3.97Å; P832-W836 PolarHBondContact O-N 3.21Å; K833-W836 PolarHBondContact O-N 2.83Å; W836-V839 PolarHBondContact O-N 3.31Å; W836-D840 HydrophobicContact CZ2-CB 4.31Å; W836-D840 WeakPolarHBondContact O-CB 3.05Å; W836-D840 PolarHBondContact O-N 3.46Å; W836-Y936 AromaticContact CD1-CZ 3.97Å; W836-Y936 VanDerWaalsContact CD1-OH 3.28Å
837M89.8Confident88.3Confident42 Ų4246 Ų4621%0.20721%0.212CC..Hα-helixtrans-59.8-46.6178.6-80.4154.936.800113K833 E834 L835 H841 L870 M874K833-M837 WeakPolarHBondContact O-CB 3.14Å; K833-M837 VanDerWaalsContact O-CG 3.28Å; K833-M837 WeakPolarHBondContact O-CG 2.91Å; K833-M837 PolarHBondContact O-N 2.93Å; E834-M837 PolarHBondContact O-N 2.82Å; L835-M837 VanDerWaalsContact C-N 3.34Å; L835-M837 PolarHBondContact O-N 2.87Å; M837-H841 WeakPolarHBondContact O-CB 3.46Å; M837-H841 PolarHBondContact O-N 3.48Å; M837-L870 HydrophobicContact CB-CD2 4.44Å; M837-L870 HydrophobicContact CE-CD2 3.48Å; M837-L870 VanDerWaalsContact CE-CD2 3.48Å; M837-M874 HydrophobicContact CE-CG 3.43Å; M837-M874 VanDerWaalsContact CE-CG 3.43Å; M837-M874 HydrophobicContact CE-SD 4.04Å; M837-M874 HydrophobicContact SD-CG 4.17Å
838M92Very high87.6Confident4 Ų445.4 Ų45.42%0.0222%0.216CC..Hα-helixtrans-64.3-43176.2-73.5-176.3-78.800112.3E834 L835 L842 L870 V885 A888 L889 F892E834-M838 WeakPolarHBondContact O-CE 3.19Å; E834-M838 PolarHBondContact O-N 3.43Å; E834-M838 VanDerWaalsContact O-N 3.13Å; L835-M838 PolarHBondContact O-N 3.49Å; M838-L842 WeakPolarHBondContact O-CG 3.28Å; M838-L842 PolarHBondContact O-N 2.73Å; M838-L842 VanDerWaalsContact O-N 3.16Å; M838-L870 HydrophobicContact CE-CD1 3.84Å; M838-L870 HydrophobicContact CG-CD1 4.07Å; M838-L870 HydrophobicContact CG-CD2 4.37Å; M838-L870 HydrophobicContact SD-CD1 3.75Å; M838-V885 HydrophobicContact CB-CG1 4.09Å; M838-V885 HydrophobicContact CG-CG1 4.19Å; M838-A888 HydrophobicContact SD-CB 4.24Å; M838-L889 HydrophobicContact CB-CB 4.47Å; M838-L889 HydrophobicContact CB-CD1 4.44Å; M838-L889 HydrophobicContact CE-CD1 4.3Å; M838-L889 HydrophobicContact SD-CB 4.1Å; M838-F892 HydrophobicContact CE-CB 3.83Å; M838-F892 HydrophobicContact CE-CD1 4.21Å; M838-F892 HydrophobicContact CE-CD2 3.95Å; M838-F892 HydrophobicContact CE-CG 3.74Å
839V92.9Very high86.5Confident2 Ų247.8 Ų47.81%0.01222%0.224CC..Hα-helixtrans-71.3-41.1-178.51730000111.7L835 W836 L842 F843 L889 Y936 L937 F940L835-V839 WeakPolarHBondContact O-CB 3.41Å; L835-V839 VanDerWaalsContact O-CG2 3.32Å; L835-V839 WeakPolarHBondContact O-CG2 3.21Å; L835-V839 PolarHBondContact O-N 2.72Å; W836-V839 PolarHBondContact O-N 3.31Å; V839-L842 PolarHBondContact O-N 3.03Å; V839-F843 VanDerWaalsContact O-CB 3.25Å; V839-F843 WeakPolarHBondContact O-CB 3.47Å; V839-F843 PolarHBondContact O-N 3.49Å; V839-L889 HydrophobicContact CG2-CD1 4.25Å; V839-L889 HydrophobicContact CG2-CD2 3.96Å; V839-Y936 HydrophobicContact CB-CE1 3.69Å; V839-Y936 HydrophobicContact CG1-CE1 3.62Å; V839-Y936 WeakPolarHBondContact CG1-OH 3.5Å; V839-Y936 HydrophobicContact CG2-CE1 3.97Å; V839-L937 HydrophobicContact CG2-CD2 4.09Å; V839-F940 HydrophobicContact CG1-CB 3.83Å; V839-F940 HydrophobicContact CG1-CD1 3.91Å; V839-F940 HydrophobicContact CG1-CD2 3.64Å; V839-F940 HydrophobicContact CG1-CE1 4.36Å; V839-F940 HydrophobicContact CG1-CE2 4.12Å; V839-F940 HydrophobicContact CG1-CG 3.52Å; V839-F940 HydrophobicContact CG1-CZ 4.45Å; V839-F940 HydrophobicContact CG2-CD1 4.4Å
840D89.4Confident85.1Confident33 Ų3353.2 Ų53.218%0.17625%0.245CC..Hα-helixtrans-65-40.4176.2174.681.9000112W836 F843 R844W836-D840 HydrophobicContact CZ2-CB 4.31Å; W836-D840 WeakPolarHBondContact O-CB 3.05Å; W836-D840 PolarHBondContact O-N 3.46Å; D840-F843 PolarHBondContact O-N 3.15Å; D840-R844 VanDerWaalsContact CG-CZ 3.48Å; D840-R844 VanDerWaalsContact O-CG 3.32Å; D840-R844 WeakPolarHBondContact O-CG 3.27Å; D840-R844 PolarHBondContact O-N 3.04Å; D840-R844 IonicContact OD1-CZ 3.81Å; D840-R844 IonicContact OD1-NE 3.88Å; D840-R844 PolarHBondContact OD1-NE 3.24Å; D840-R844 IonicContact OD1-NH2 3.82Å; D840-R844 PolarHBondContact OD1-NH2 3.3Å; D840-R844 IonicContact OD2-CZ 2.67Å; D840-R844 IonicContact OD2-NE 3.71Å; D840-R844 PolarHBondContact OD2-NE 2.97Å; D840-R844 IonicContact OD2-NH1 3.39Å; D840-R844 IonicContact OD2-NH2 3.79Å; D840-R844 PolarHBondContact OD2-NH2 3.13Å
841H88.1Confident84.1Confident41 Ų4151.2 Ų51.219%0.1923%0.233CC..Hα-helixtrans-57.3-52.3171.7-176.9111.5000111.1M837 F843 R844 N845 V885M837-H841 WeakPolarHBondContact O-CB 3.46Å; M837-H841 PolarHBondContact O-N 3.48Å; H841-F843 VanDerWaalsContact C-N 3.31Å; H841-F843 PolarHBondContact O-N 3.05Å; H841-R844 PolarHBondContact O-N 3.25Å; H841-N845 PolarHBondContact CD2-ND2 2.99Å; H841-N845 PolarHBondContact CE1-ND2 3.13Å; H841-N845 VanDerWaalsContact CE1-ND2 3.26Å; H841-N845 PolarHBondContact NE2-ND2 3.37Å; H841-N845 VanDerWaalsContact O-CB 3.3Å; H841-N845 WeakPolarHBondContact O-CB 3.44Å; H841-N845 PolarHBondContact O-N 2.87Å; H841-V885 HydrophobicContact CB-CG1 4.46Å
842L88.8Confident83.4Confident1 Ų151.2 Ų51.21%0.00523%0.233CC..Hα-helixtrans-64.4-35.4178.6-68.4169.8000112.2M838 V839 A846 V847 I853 F854 N882 V885 A886 L889 F940M838-L842 WeakPolarHBondContact O-CG 3.28Å; M838-L842 PolarHBondContact O-N 2.73Å; M838-L842 VanDerWaalsContact O-N 3.16Å; V839-L842 PolarHBondContact O-N 3.03Å; L842-A846 HydrophobicContact CD2-CB 4.17Å; L842-A846 WeakPolarHBondContact O-CA 3.5Å; L842-A846 VanDerWaalsContact O-CB 3.3Å; L842-A846 WeakPolarHBondContact O-CB 3.21Å; L842-A846 PolarHBondContact O-N 3.11Å; L842-V847 PolarHBondContact O-N 3.43Å; L842-I853 HydrophobicContact CD2-CD1 4.17Å; L842-F854 HydrophobicContact CD1-CZ 4.12Å; L842-N882 HydrophobicContact CD2-CB 4.26Å; L842-N882 WeakPolarHBondContact CD2-O 3.38Å; L842-V885 HydrophobicContact CD1-CG1 4.22Å; L842-V885 HydrophobicContact CD2-CB 4.09Å; L842-V885 HydrophobicContact CD2-CG1 4.23Å; L842-V885 HydrophobicContact CG-CB 4.33Å; L842-V885 HydrophobicContact CG-CG1 3.91Å; L842-A886 HydrophobicContact CD1-CB 4.42Å; L842-A886 HydrophobicContact CD2-CB 4.33Å; L842-L889 HydrophobicContact CD1-CD2 3.95Å; L842-F940 HydrophobicContact CB-CE2 4.06Å; L842-F940 HydrophobicContact CB-CZ 3.67Å; L842-F940 HydrophobicContact CD1-CZ 4.11Å
843F87.9Confident82.9Confident103 Ų10351.3 Ų51.345%0.45223%0.234SC..Hα-helixtrans-63.5-44.3176.4-172.8-83.8000111.8V839 D840 H841 V847 F940 E943V839-F843 VanDerWaalsContact O-CB 3.25Å; V839-F843 WeakPolarHBondContact O-CB 3.47Å; V839-F843 PolarHBondContact O-N 3.49Å; D840-F843 PolarHBondContact O-N 3.15Å; H841-F843 VanDerWaalsContact C-N 3.31Å; H841-F843 PolarHBondContact O-N 3.05Å; F843-V847 HydrophobicContact CD2-CG2 4.46Å; F843-V847 WeakPolarHBondContact O-CB 3.35Å; F843-V847 VanDerWaalsContact O-CG2 3.24Å; F843-V847 WeakPolarHBondContact O-CG2 3.36Å; F843-F940 HydrophobicContact CB-CE2 4.37Å; F843-F940 HydrophobicContact CD2-CD2 4.3Å; F843-E943 HydrophobicContact CE2-CB 4.28Å; F843-E943 HydrophobicContact CE2-CG 3.79Å; F843-E943 HydrophobicContact CZ-CG 4.41Å
844R85.5Confident82.7Confident157 Ų15750.3 Ų50.359%0.59223%0.229SC*.Hα-helixtrans-73.6-41.3179.4-67.1174.9-167.3-169.312.9112.4D840 H841D840-R844 VanDerWaalsContact CG-CZ 3.48Å; D840-R844 VanDerWaalsContact O-CG 3.32Å; D840-R844 WeakPolarHBondContact O-CG 3.27Å; D840-R844 PolarHBondContact O-N 3.04Å; D840-R844 IonicContact OD1-CZ 3.81Å; D840-R844 IonicContact OD1-NE 3.88Å; D840-R844 PolarHBondContact OD1-NE 3.24Å; D840-R844 IonicContact OD1-NH2 3.82Å; D840-R844 PolarHBondContact OD1-NH2 3.3Å; D840-R844 IonicContact OD2-CZ 2.67Å; D840-R844 IonicContact OD2-NE 3.71Å; D840-R844 PolarHBondContact OD2-NE 2.97Å; D840-R844 IonicContact OD2-NH1 3.39Å; D840-R844 IonicContact OD2-NH2 3.79Å; D840-R844 PolarHBondContact OD2-NH2 3.13Å; H841-R844 PolarHBondContact O-N 3.25Å
845N81.5Confident82.3Confident65 Ų6554.3 Ų54.335%0.34825%0.248SC..Hα-helixtrans-98.9-43.9-167.5-63-24000113.6H841 Q849 N882H841-N845 PolarHBondContact CD2-ND2 2.99Å; H841-N845 PolarHBondContact CE1-ND2 3.13Å; H841-N845 VanDerWaalsContact CE1-ND2 3.26Å; H841-N845 PolarHBondContact NE2-ND2 3.37Å; H841-N845 VanDerWaalsContact O-CB 3.3Å; H841-N845 WeakPolarHBondContact O-CB 3.44Å; H841-N845 PolarHBondContact O-N 2.87Å; N845-Q849 WeakPolarHBondContact O-CG 3.41Å; N845-Q849 PolarHBondContact O-NE2 2.83Å; N845-N882 VanDerWaalsContact CB-OD1 3.24Å; N845-N882 WeakPolarHBondContact CB-OD1 3.41Å
846A76.6Confident81.9Confident3 Ų358.7 Ų58.73%0.02527%0.269CS..THydrogen-bonded Turntrans-90.1-30.7-170.700000114.1L842 N848 Q849 I853 N882L842-A846 HydrophobicContact CD2-CB 4.17Å; L842-A846 WeakPolarHBondContact O-CA 3.5Å; L842-A846 VanDerWaalsContact O-CB 3.3Å; L842-A846 WeakPolarHBondContact O-CB 3.21Å; L842-A846 PolarHBondContact O-N 3.11Å; A846-N848 PolarHBondContact O-N 3.43Å; A846-Q849 PolarHBondContact O-N 3.18Å; A846-Q849 VanDerWaalsContact O-N 3.11Å; A846-I853 HydrophobicContact CB-CG1 4.43Å; A846-N882 HydrophobicContact CB-CB 4.08Å
847V71.3Confident81.5Confident10 Ų1058.1 Ų58.16%0.06128%0.28CS..THydrogen-bonded Turntrans-53.7-33.4-173.4167.70000113.7L842 F843 L944 N947L842-V847 PolarHBondContact O-N 3.43Å; F843-V847 HydrophobicContact CD2-CG2 4.46Å; F843-V847 WeakPolarHBondContact O-CB 3.35Å; F843-V847 VanDerWaalsContact O-CG2 3.24Å; F843-V847 WeakPolarHBondContact O-CG2 3.36Å; V847-L944 HydrophobicContact CG2-CD2 3.78Å; V847-N947 WeakPolarHBondContact CG1-ND2 3.08Å; V847-N947 PolarHBondContact O-ND2 3.24Å
848N65.9Low81.3Confident126 Ų12657 Ų5767%0.67428%0.278SS*.THydrogen-bonded Turntrans-104.55.6-175.2-65.2-56.6000114.5A846A846-N848 PolarHBondContact O-N 3.43Å
849Q64.9Low81Confident87 Ų8760.9 Ų60.941%0.40730%0.299SS..SBendtrans-105.4158.8-175.1-62.3-165.148.600112.6N845 A846 E851N845-Q849 WeakPolarHBondContact O-CG 3.41Å; N845-Q849 PolarHBondContact O-NE2 2.83Å; A846-Q849 PolarHBondContact O-N 3.18Å; A846-Q849 VanDerWaalsContact O-N 3.11Å; Q849-E851 VanDerWaalsContact C-N 3.29Å; Q849-E851 HydrophobicContact CB-CG 4.24Å; Q849-E851 PolarHBondContact O-N 2.77Å
850K62Low80.4Confident167 Ų16771.6 Ų71.673%0.72634%0.339SS*.  trans-92.657.9179-70-168.4173.7-173.60111.3N950K850-N950 VanDerWaalsContact CE-OD1 3.28Å; K850-N950 WeakPolarHBondContact CE-OD1 3.36Å; K850-N950 HydrophobicContact CG-CB 4.31Å
851E67Low80Confident48 Ų4874.7 Ų74.722%0.22436%0.359CS..  trans-114.4137.7-178.6-65-175.1151.800110Q849 I853 N882Q849-E851 VanDerWaalsContact C-N 3.29Å; Q849-E851 HydrophobicContact CB-CG 4.24Å; Q849-E851 PolarHBondContact O-N 2.77Å; E851-I853 PolarHBondContact O-N 2.58Å; E851-N882 WeakPolarHBondContact OE2-CB 3.43Å; E851-N882 PolarHBondContact OE2-ND2 3.16Å
852D79.9Confident80Confident32 Ų3274.1 Ų74.117%0.17136%0.357CS..  trans-77.960.8178-57.3-58.6000110Q855 Q856 H883 R952D852-Q855 HydrophobicContact CB-CB 4.2Å; D852-Q855 WeakPolarHBondContact O-CB 3.29Å; D852-Q855 PolarHBondContact O-N 2.89Å; D852-Q855 VanDerWaalsContact O-N 3.09Å; D852-Q856 HydrophobicContact CB-CG 4.08Å; D852-Q856 PolarHBondContact O-N 2.68Å; D852-Q856 VanDerWaalsContact O-N 3.14Å; D852-Q856 PolarHBondContact OD2-NE2 3.1Å; D852-H883 PolarHBondContact O-CE1 3.46Å; D852-R952 VanDerWaalsContact CG-NH1 3.28Å; D852-R952 WeakPolarHBondContact OD1-CD 3.37Å; D852-R952 IonicContact OD1-CZ 3.25Å; D852-R952 IonicContact OD1-NE 2.72Å; D852-R952 IonicContact OD1-NH1 2.84Å; D852-R952 PolarHBondContact OD1-NH1 2.91Å; D852-R952 IonicContact OD2-NH1 3.57Å; D852-R952 PolarHBondContact OD2-NH1 3.47Å; D852-R952 VanDerWaalsContact OD2-NH1 3.11Å
853I84.6Confident80.1Confident2 Ų275.1 Ų75.11%0.0136%0.361CS..THydrogen-bonded Turntrans-62144.4-173.7-163.665.5000110.7L842 A846 E851 Q855 N882 A886 L953L842-I853 HydrophobicContact CD2-CD1 4.17Å; A846-I853 HydrophobicContact CB-CG1 4.43Å; E851-I853 PolarHBondContact O-N 2.58Å; I853-Q855 PolarHBondContact O-N 2.92Å; I853-N882 HydrophobicContact CD1-CB 3.81Å; I853-N882 WeakPolarHBondContact CD1-O 3.49Å; I853-A886 HydrophobicContact CD1-CB 3.53Å; I853-A886 HydrophobicContact CG1-CB 3.97Å; I853-L953 HydrophobicContact CG2-CD1 3.72Å; I853-L953 HydrophobicContact CG2-CG 4.27Å; I853-L953 WeakPolarHBondContact O-CD2 3.47Å
854F87.5Confident80.1Confident16 Ų1671.7 Ų71.77%0.0735%0.352CS..THydrogen-bonded Turntrans58.6-5.5-168-54.3-71.1000116.7L842 A886 L889 L890 F940 L941 L944 L958 I961 F962L842-F854 HydrophobicContact CD1-CZ 4.12Å; F854-A886 HydrophobicContact CD1-CB 3.7Å; F854-A886 HydrophobicContact CE1-CB 3.57Å; F854-A886 HydrophobicContact CG-CB 4.36Å; F854-A886 HydrophobicContact CZ-CB 4.15Å; F854-L889 HydrophobicContact CE1-CD2 4.32Å; F854-L889 HydrophobicContact CZ-CD2 4.21Å; F854-L890 HydrophobicContact CD1-CD1 4.03Å; F854-L890 HydrophobicContact CD1-CD2 3.99Å; F854-L890 HydrophobicContact CD1-CG 3.97Å; F854-L890 HydrophobicContact CE1-CD2 4.24Å; F854-L890 HydrophobicContact CE1-CG 4.3Å; F854-F940 HydrophobicContact CE2-CE1 4.38Å; F854-F940 HydrophobicContact CZ-CE1 4.13Å; F854-L941 HydrophobicContact CE2-CD2 4.46Å; F854-L944 HydrophobicContact CE2-CD1 3.78Å; F854-L958 HydrophobicContact CD2-CD2 4.23Å; F854-I961 HydrophobicContact CB-CD1 4.08Å; F854-I961 WeakPolarHBondContact O-CD1 3.45Å; F854-F962 HydrophobicContact CD1-CE2 4.15Å; F854-F962 HydrophobicContact CD1-CZ 4.05Å; F854-F962 HydrophobicContact CD2-CE2 4.35Å; F854-F962 HydrophobicContact CE1-CE2 4.23Å; F854-F962 AromaticContact CE1-CZ 3.7Å; F854-F962 HydrophobicContact CE1-CZ 3.7Å; F854-F962 HydrophobicContact CE2-CE2 4.42Å; F854-F962 HydrophobicContact CE2-CZ 4.32Å; F854-F962 HydrophobicContact CG-CE2 4.23Å; F854-F962 HydrophobicContact CZ-CE2 4.37Å; F854-F962 AromaticContact CZ-CZ 3.86Å; F854-F962 HydrophobicContact CZ-CZ 3.86Å
855Q85Confident80.3Confident85 Ų8569.1 Ų69.140%0.39735%0.347SS..THydrogen-bonded Turntrans-102.1-29.6178.1-59.5-177.965.900112.6D852 I853 R952 I957D852-Q855 HydrophobicContact CB-CB 4.2Å; D852-Q855 WeakPolarHBondContact O-CB 3.29Å; D852-Q855 PolarHBondContact O-N 2.89Å; D852-Q855 VanDerWaalsContact O-N 3.09Å; I853-Q855 PolarHBondContact O-N 2.92Å; Q855-R952 PolarHBondContact NE2-O 3.16Å; Q855-R952 VanDerWaalsContact NE2-O 3.11Å; Q855-I957 HydrophobicContact CG-CG2 4.07Å
856Q85.1Confident80.7Confident94 Ų9466.5 Ų66.544%0.43933%0.333SS..SBendtrans-101.4138.8169.7-57.7-176.532.800110.8D852D852-Q856 HydrophobicContact CB-CG 4.08Å; D852-Q856 PolarHBondContact O-N 2.68Å; D852-Q856 VanDerWaalsContact O-N 3.14Å; D852-Q856 PolarHBondContact OD2-NE2 3.1Å
857P86.1Confident81.5Confident103 Ų10366.5 Ų66.567%0.66933%0.332SS*.  trans-71.5159.4174.832.4-36000111.7
858G85.2Confident82.4Confident17 Ų1768 Ų6818%0.17534%0.34CS..  trans-87.8-170.8175.100000113.8E887G858-E887 PolarHBondContact N-OE2 3.2Å
859L85.2Confident83.5Confident86 Ų8663 Ų6345%0.4531%0.314SS..  trans-94.6125.1175.4-62.3-176.4000110.6T861 E862 F863 L881 S884L859-T861 PolarHBondContact O-N 2.69Å; L859-T861 VanDerWaalsContact O-N 3.15Å; L859-E862 HydrophobicContact CB-CB 4.22Å; L859-E862 HydrophobicContact CB-CG 4.03Å; L859-E862 WeakPolarHBondContact O-CB 3.35Å; L859-E862 PolarHBondContact O-N 3.33Å; L859-F863 PolarHBondContact O-N 3.01Å; L859-L881 HydrophobicContact CD1-CD1 3.98Å; L859-L881 HydrophobicContact CG-CD1 4.29Å; L859-S884 PolarHBondContact N-OG 2.75Å
860R80.4Confident84.7Confident227 Ų22759.2 Ų59.286%0.85730%0.297SS*.Hα-helixtrans-58.4-28179.3-70-174176.9-171-1.2114
861T80.9Confident86.2Confident99 Ų9951.3 Ų51.361%0.60726%0.262SS*.Hα-helixtrans-68.7-45.6173.446.10000111.2L859 F863 A864 E865L859-T861 PolarHBondContact O-N 2.69Å; L859-T861 VanDerWaalsContact O-N 3.15Å; T861-F863 VanDerWaalsContact C-N 3.31Å; T861-F863 PolarHBondContact O-N 3.44Å; T861-A864 WeakPolarHBondContact O-CB 3.22Å; T861-A864 PolarHBondContact O-N 2.87Å; T861-E865 PolarHBondContact O-N 3.05Å
862E88.7Confident87.1Confident28 Ų2852 Ų5213%0.13127%0.272CS..Hα-helixtrans-64.9-34175.7-67-178.1-17000111.6L859 A864 E865 I866 I880 L881 S884L859-E862 HydrophobicContact CB-CB 4.22Å; L859-E862 HydrophobicContact CB-CG 4.03Å; L859-E862 WeakPolarHBondContact O-CB 3.35Å; L859-E862 PolarHBondContact O-N 3.33Å; E862-A864 VanDerWaalsContact C-N 3.28Å; E862-A864 PolarHBondContact O-N 3.03Å; E862-E865 WeakPolarHBondContact O-CB 3.36Å; E862-E865 PolarHBondContact O-N 2.77Å; E862-E865 VanDerWaalsContact O-N 3.13Å; E862-I866 VanDerWaalsContact O-CG1 3.27Å; E862-I866 WeakPolarHBondContact O-CG1 3.42Å; E862-I866 PolarHBondContact O-N 3.43Å; E862-I880 HydrophobicContact CB-CG2 4.31Å; E862-L881 WeakPolarHBondContact OE2-CB 3.37Å; E862-L881 PolarHBondContact OE2-N 3.49Å; E862-S884 WeakPolarHBondContact OE2-CB 3.28Å; E862-S884 PolarHBondContact OE2-OG 2.85Å
863F89.8Confident87Confident22 Ų2251.7 Ų51.710%0.09628%0.277CS..Hα-helixtrans-57.4-39.7173.4177.5-92.8000112.8F685 M686 Y786 L859 T861 E865 I866 R867 A888 L891F685-F863 HydrophobicContact CD1-CE1 4.26Å; F685-F863 HydrophobicContact CD1-CZ 4Å; F685-F863 HydrophobicContact CE1-CE1 4.42Å; F685-F863 AromaticContact CE1-CZ 3.91Å; F685-F863 HydrophobicContact CE1-CZ 3.91Å; M686-F863 HydrophobicContact CB-CE1 3.97Å; Y786-F863 HydrophobicContact CD1-CZ 4.29Å; Y786-F863 AromaticContact CE1-CE2 3.8Å; Y786-F863 HydrophobicContact CE1-CE2 3.8Å; Y786-F863 AromaticContact CE1-CZ 3.93Å; Y786-F863 HydrophobicContact CE1-CZ 3.93Å; Y786-F863 HydrophobicContact CE2-CE2 4.48Å; Y786-F863 HydrophobicContact CE2-CZ 4.34Å; Y786-F863 AromaticContact CZ-CE2 3.78Å; Y786-F863 AromaticContact CZ-CZ 4Å; L859-F863 PolarHBondContact O-N 3.01Å; T861-F863 VanDerWaalsContact C-N 3.31Å; T861-F863 PolarHBondContact O-N 3.44Å; F863-E865 VanDerWaalsContact C-N 3.32Å; F863-E865 PolarHBondContact O-N 2.93Å; F863-I866 PolarHBondContact O-N 2.73Å; F863-R867 HydrophobicContact CE1-CB 4.19Å; F863-R867 HydrophobicContact CZ-CB 4.24Å; F863-R867 WeakPolarHBondContact O-CB 3.24Å; F863-R867 PolarHBondContact O-N 3.26Å; F863-A888 HydrophobicContact CD2-CB 3.88Å; F863-A888 HydrophobicContact CE2-CB 4.07Å; F863-L891 HydrophobicContact CD2-CD1 3.67Å; F863-L891 HydrophobicContact CE2-CB 4.18Å; F863-L891 HydrophobicContact CE2-CD1 3.57Å; F863-L891 HydrophobicContact CG-CD1 4.33Å; F863-L891 HydrophobicContact CZ-CD1 4.17Å
864A89.3Confident86.1Confident31 Ų3156.2 Ų56.226%0.25630%0.299SS..Hα-helixtrans-65.3-37.5177.700000111.9T861 E862 R867 D868T861-A864 WeakPolarHBondContact O-CB 3.22Å; T861-A864 PolarHBondContact O-N 2.87Å; E862-A864 VanDerWaalsContact C-N 3.28Å; E862-A864 PolarHBondContact O-N 3.03Å; A864-R867 PolarHBondContact O-NH2 2.74Å; A864-D868 WeakPolarHBondContact O-CB 3.24Å; A864-D868 VanDerWaalsContact O-CG 3.22Å; A864-D868 PolarHBondContact O-N 2.94Å
865E88.8Confident84.6Confident104 Ų10458.6 Ų58.649%0.48632%0.316SS..Hα-helixtrans-68-44.5174.1-63.9175.4-159.500111.7T861 E862 F863 D868 C869T861-E865 PolarHBondContact O-N 3.05Å; E862-E865 WeakPolarHBondContact O-CB 3.36Å; E862-E865 PolarHBondContact O-N 2.77Å; E862-E865 VanDerWaalsContact O-N 3.13Å; F863-E865 VanDerWaalsContact C-N 3.32Å; F863-E865 PolarHBondContact O-N 2.93Å; E865-D868 PolarHBondContact O-N 3.47Å; E865-C869 WeakPolarHBondContact O-CB 3.38Å; E865-C869 PolarHBondContact O-N 3.15Å; E865-C869 PolarHBondContact O-SG 2.79Å
866I90.4Very high83Confident10 Ų1063 Ų635%0.05134%0.342CS..Hα-helixtrans-58-54.2175.8-63.4162.4000109.9E862 F863 D868 C869 L870 I880 S884 V885 A888E862-I866 VanDerWaalsContact O-CG1 3.27Å; E862-I866 WeakPolarHBondContact O-CG1 3.42Å; E862-I866 PolarHBondContact O-N 3.43Å; F863-I866 PolarHBondContact O-N 2.73Å; I866-D868 VanDerWaalsContact C-N 3.33Å; I866-D868 PolarHBondContact O-N 3.29Å; I866-C869 PolarHBondContact O-N 2.8Å; I866-L870 HydrophobicContact CG2-CD1 3.82Å; I866-L870 HydrophobicContact CG2-CG 4.19Å; I866-L870 VanDerWaalsContact O-CG 3.32Å; I866-L870 WeakPolarHBondContact O-CG 3.32Å; I866-L870 PolarHBondContact O-N 3.31Å; I866-I880 HydrophobicContact CD1-CG2 3.82Å; I866-I880 HydrophobicContact CG1-CD1 3.77Å; I866-I880 HydrophobicContact CG1-CG2 3.9Å; I866-S884 VanDerWaalsContact CD1-C 3.43Å; I866-S884 VanDerWaalsContact CD1-O 3.31Å; I866-S884 WeakPolarHBondContact CD1-O 3.35Å; I866-V885 HydrophobicContact CD1-CG2 4.24Å; I866-A888 HydrophobicContact CB-CB 4.31Å; I866-A888 HydrophobicContact CD1-CB 3.74Å; I866-A888 HydrophobicContact CG2-CB 3.72Å
867R92.6Very high81.6Confident2 Ų263.6 Ų63.61%0.00836%0.357CS..Hα-helixtrans-52.5-51.8178177.2-154.762.2-133.9-10.7110.8F685 Y786 F863 A864 C869 L870 D871F685-R867 VanDerWaalsContact O-CD 3.28Å; F685-R867 WeakPolarHBondContact O-CD 3.14Å; F685-R867 PolarHBondContact O-NH1 3.26Å; Y786-R867 HydrophobicContact CD2-CG 4.11Å; Y786-R867 HydrophobicContact CE2-CB 4.24Å; Y786-R867 HydrophobicContact CE2-CG 4.28Å; F863-R867 HydrophobicContact CE1-CB 4.19Å; F863-R867 HydrophobicContact CZ-CB 4.24Å; F863-R867 WeakPolarHBondContact O-CB 3.24Å; F863-R867 PolarHBondContact O-N 3.26Å; A864-R867 PolarHBondContact O-NH2 2.74Å; R867-C869 VanDerWaalsContact C-N 3.3Å; R867-C869 PolarHBondContact O-N 3.36Å; R867-L870 PolarHBondContact O-N 3.05Å; R867-L870 VanDerWaalsContact O-N 3.16Å; R867-D871 WeakPolarHBondContact CG-OD2 3.23Å; R867-D871 WeakPolarHBondContact O-CB 3.45Å; R867-D871 PolarHBondContact O-N 3.45Å
868D90.1Very high80.4Confident43 Ų4361.1 Ų61.123%0.2334%0.338CS..Hα-helixtrans-62.8-36.1-176.6-74-4.2000112.4K684 A864 E865 I866 D871 S872K684-D868 VanDerWaalsContact CD-OD1 3.26Å; K684-D868 WeakPolarHBondContact CD-OD1 3.38Å; K684-D868 IonicContact NZ-OD1 3.42Å; K684-D868 PolarHBondContact NZ-OD1 3.14Å; K684-D868 IonicContact NZ-OD2 2.72Å; K684-D868 PolarHBondContact NZ-OD2 3.1Å; A864-D868 WeakPolarHBondContact O-CB 3.24Å; A864-D868 VanDerWaalsContact O-CG 3.22Å; A864-D868 PolarHBondContact O-N 2.94Å; E865-D868 PolarHBondContact O-N 3.47Å; I866-D868 VanDerWaalsContact C-N 3.33Å; I866-D868 PolarHBondContact O-N 3.29Å; D868-D871 PolarHBondContact O-N 3.13Å; D868-S872 PolarHBondContact O-N 3.24Å; D868-S872 PolarHBondContact O-OG 3.44Å
869C89.3Confident79.5Confident20 Ų2072.2 Ų72.214%0.13538%0.375CS..Hα-helixtrans-76.9-25.2176.6-59.60000113.7E865 I866 R867 G873 M874 L878E865-C869 WeakPolarHBondContact O-CB 3.38Å; E865-C869 PolarHBondContact O-N 3.15Å; E865-C869 PolarHBondContact O-SG 2.79Å; I866-C869 PolarHBondContact O-N 2.8Å; R867-C869 VanDerWaalsContact C-N 3.3Å; R867-C869 PolarHBondContact O-N 3.36Å; C869-G873 CarbonylContact O-C 3.29Å; C869-G873 VanDerWaalsContact O-CA 3.29Å; C869-G873 WeakPolarHBondContact O-CA 3.25Å; C869-G873 PolarHBondContact O-N 3.16Å; C869-G873 VanDerWaalsContact O-N 3.1Å; C869-G873 VanDerWaalsContact O-O 3.11Å; C869-M874 HydrophobicContact CB-SD 4.28Å; C869-L878 HydrophobicContact CB-CD1 3.71Å; C869-L878 VanDerWaalsContact SG-CD1 3.55Å
870L90.8Very high79.1Confident8 Ų869.1 Ų69.14%0.04236%0.358CS..Hα-helixtrans-75.3-36.5169.5-64.9178.3000111.2Y786 E834 M837 M838 I866 R867Y786-L870 HydrophobicContact CE2-CD1 3.89Å; E834-L870 HydrophobicContact CB-CD2 4.17Å; M837-L870 HydrophobicContact CB-CD2 4.44Å; M837-L870 HydrophobicContact CE-CD2 3.48Å; M837-L870 VanDerWaalsContact CE-CD2 3.48Å; M838-L870 HydrophobicContact CE-CD1 3.84Å; M838-L870 HydrophobicContact CG-CD1 4.07Å; M838-L870 HydrophobicContact CG-CD2 4.37Å; M838-L870 HydrophobicContact SD-CD1 3.75Å; I866-L870 HydrophobicContact CG2-CD1 3.82Å; I866-L870 HydrophobicContact CG2-CG 4.19Å; I866-L870 VanDerWaalsContact O-CG 3.32Å; I866-L870 WeakPolarHBondContact O-CG 3.32Å; I866-L870 PolarHBondContact O-N 3.31Å; R867-L870 PolarHBondContact O-N 3.05Å; R867-L870 VanDerWaalsContact O-N 3.16Å
871D92.3Very high79.2Confident0 Ų062.3 Ų62.30%034%0.338CS..Hα-helixtrans-79.1-29.9-176-69.6-15.4000113.8S784 C785 P799 I800 Q801 R867 D868S784-D871 VanDerWaalsContact CA-OD1 3.24Å; S784-D871 WeakPolarHBondContact CA-OD1 3.29Å; S784-D871 WeakPolarHBondContact CA-OD2 3.46Å; S784-D871 WeakPolarHBondContact CB-OD2 3.36Å; S784-D871 PolarHBondContact OG-OD1 3.21Å; S784-D871 PolarHBondContact OG-OD2 3.13Å; C785-D871 PolarHBondContact N-OD1 2.87Å; P799-D871 VanDerWaalsContact CB-O 3.27Å; P799-D871 WeakPolarHBondContact CB-O 3.42Å; I800-D871 HydrophobicContact CG2-CB 4.1Å; I800-D871 PolarHBondContact N-O 3.49Å; Q801-D871 WeakPolarHBondContact CB-O 3.32Å; Q801-D871 HydrophobicContact CG-CB 4.12Å; Q801-D871 PolarHBondContact N-O 3.31Å; R867-D871 WeakPolarHBondContact CG-OD2 3.23Å; R867-D871 WeakPolarHBondContact O-CB 3.45Å; R867-D871 PolarHBondContact O-N 3.45Å; D868-D871 PolarHBondContact O-N 3.13Å
872S87.8Confident79.5Confident63 Ų6358.1 Ų58.144%0.44131%0.312SS..Hα-helixtrans-120.54.6-177.965.50000115.3D868D868-S872 PolarHBondContact O-N 3.24Å; D868-S872 PolarHBondContact O-OG 3.44Å
873G76.6Confident79.6Confident25 Ų2557.9 Ų57.926%0.25831%0.311SS..  trans93.6161.6175.400000115.2C869C869-G873 CarbonylContact O-C 3.29Å; C869-G873 VanDerWaalsContact O-CA 3.29Å; C869-G873 WeakPolarHBondContact O-CA 3.25Å; C869-G873 PolarHBondContact O-N 3.16Å; C869-G873 VanDerWaalsContact O-N 3.1Å; C869-G873 VanDerWaalsContact O-O 3.11Å
874M65.9Low79.6Confident98 Ų9857 Ų5748%0.48331%0.307SS..  trans-87.5130.4-166.4-77.2-68.6-67.400114.3M837 C869 L878M837-M874 HydrophobicContact CE-CG 3.43Å; M837-M874 VanDerWaalsContact CE-CG 3.43Å; M837-M874 HydrophobicContact CE-SD 4.04Å; M837-M874 HydrophobicContact SD-CG 4.17Å; C869-M874 HydrophobicContact CB-SD 4.28Å; M874-L878 HydrophobicContact CE-CD1 3.97Å; M874-L878 HydrophobicContact SD-CD1 3.98Å
875P56Low79.7Confident66 Ų6655.8 Ų55.843%0.42930%0.297SS..  trans-83.1139151.332.5-29.6000110.8S877 L878P875-S877 PolarHBondContact O-N 2.73Å; P875-L878 HydrophobicContact CG-CD1 4.35Å; P875-L878 HydrophobicContact CG-CD2 3.98Å; P875-L878 HydrophobicContact CG-CG 4.04Å
876D51.8Low79.8Confident176 Ų17650.9 Ų50.994%0.94127%0.274SS*.SBendtrans-61.3-4.2-168.8-75.9-53.7000117.5
877S55.9Low79.9Confident108 Ų10853.8 Ų53.876%0.75529%0.288SS*.  trans-150.875.6-179.373.10000115P875P875-S877 PolarHBondContact O-N 2.73Å
878L59.8Low79.9Confident50 Ų5053.7 Ų53.726%0.26229%0.287SS..  trans-84.3121.1167.9-67.9169.2000111.1C869 M874 P875 I880C869-L878 HydrophobicContact CB-CD1 3.71Å; C869-L878 VanDerWaalsContact SG-CD1 3.55Å; M874-L878 HydrophobicContact CE-CD1 3.97Å; M874-L878 HydrophobicContact SD-CD1 3.98Å; P875-L878 HydrophobicContact CG-CD1 4.35Å; P875-L878 HydrophobicContact CG-CD2 3.98Å; P875-L878 HydrophobicContact CG-CG 4.04Å; L878-I880 VanDerWaalsContact C-N 3.3Å; L878-I880 HydrophobicContact CB-CD1 3.71Å; L878-I880 HydrophobicContact CB-CG1 4.03Å; L878-I880 HydrophobicContact CD1-CD1 3.94Å; L878-I880 HydrophobicContact CD2-CD1 4.34Å; L878-I880 HydrophobicContact CG-CD1 4.21Å; L878-I880 PolarHBondContact O-N 3.3Å
879R66.5Low80.1Confident251 Ų25151.7 Ų51.795%0.94728%0.276SS*.  trans-90.259.2177-68.3-174178.1-177.90.5111.7
880I76.4Confident80.4Confident20 Ų2052.3 Ų52.310%0.10328%0.278CS..  trans-93.5149.3-176.6-65.3169.8000109.8E862 I866 L878 V885E862-I880 HydrophobicContact CB-CG2 4.31Å; I866-I880 HydrophobicContact CD1-CG2 3.82Å; I866-I880 HydrophobicContact CG1-CD1 3.77Å; I866-I880 HydrophobicContact CG1-CG2 3.9Å; L878-I880 VanDerWaalsContact C-N 3.3Å; L878-I880 HydrophobicContact CB-CD1 3.71Å; L878-I880 HydrophobicContact CB-CG1 4.03Å; L878-I880 HydrophobicContact CD1-CD1 3.94Å; L878-I880 HydrophobicContact CD2-CD1 4.34Å; L878-I880 HydrophobicContact CG-CD1 4.21Å; L878-I880 PolarHBondContact O-N 3.3Å; I880-V885 HydrophobicContact CB-CG2 4.45Å; I880-V885 HydrophobicContact CG2-CG2 3.74Å
881L83.8Confident80.6Confident84 Ų8453.5 Ų53.544%0.4428%0.284SS..  trans-73.3140.6177.7-62.6171.7000111.4L859 E862 H883 S884 V885L859-L881 HydrophobicContact CD1-CD1 3.98Å; L859-L881 HydrophobicContact CG-CD1 4.29Å; E862-L881 WeakPolarHBondContact OE2-CB 3.37Å; E862-L881 PolarHBondContact OE2-N 3.49Å; L881-H883 PolarHBondContact O-N 2.68Å; L881-H883 VanDerWaalsContact O-N 3.17Å; L881-S884 WeakPolarHBondContact O-CB 3.47Å; L881-S884 PolarHBondContact O-N 2.79Å; L881-V885 PolarHBondContact O-N 3.4Å
882N87.3Confident80.7Confident11 Ų1153.6 Ų53.66%0.05929%0.285CS..Hα-helixtrans-53.2-39.6176-67.9-47.3000111.7L842 N845 A846 E851 I853 S884 V885 A886L842-N882 HydrophobicContact CD2-CB 4.26Å; L842-N882 WeakPolarHBondContact CD2-O 3.38Å; N845-N882 VanDerWaalsContact CB-OD1 3.24Å; N845-N882 WeakPolarHBondContact CB-OD1 3.41Å; A846-N882 HydrophobicContact CB-CB 4.08Å; E851-N882 WeakPolarHBondContact OE2-CB 3.43Å; E851-N882 PolarHBondContact OE2-ND2 3.16Å; I853-N882 HydrophobicContact CD1-CB 3.81Å; I853-N882 WeakPolarHBondContact CD1-O 3.49Å; N882-S884 VanDerWaalsContact C-N 3.33Å; N882-S884 PolarHBondContact O-N 3.31Å; N882-V885 PolarHBondContact O-N 3.42Å; N882-A886 WeakPolarHBondContact O-CB 3.3Å; N882-A886 PolarHBondContact O-N 3.11Å
883H89.4Confident81.1Confident24 Ų2450.6 Ų50.611%0.11126%0.264CS..Hα-helixtrans-58.4-39.4176.2-66.3-73.2000113.4D852 L881 A886 E887D852-H883 PolarHBondContact O-CE1 3.46Å; L881-H883 PolarHBondContact O-N 2.68Å; L881-H883 VanDerWaalsContact O-N 3.17Å; H883-A886 PolarHBondContact O-N 3.03Å; H883-E887 PolarHBondContact O-N 3.1Å
884S90.8Very high81.9Confident2 Ų250.7 Ų50.71%0.01426%0.258CS..Hα-helixtrans-71-40.1177.2-54.20000112L859 E862 I866 L881 N882 A886 E887 A888L859-S884 PolarHBondContact N-OG 2.75Å; E862-S884 WeakPolarHBondContact OE2-CB 3.28Å; E862-S884 PolarHBondContact OE2-OG 2.85Å; I866-S884 VanDerWaalsContact CD1-C 3.43Å; I866-S884 VanDerWaalsContact CD1-O 3.31Å; I866-S884 WeakPolarHBondContact CD1-O 3.35Å; L881-S884 WeakPolarHBondContact O-CB 3.47Å; L881-S884 PolarHBondContact O-N 2.79Å; N882-S884 VanDerWaalsContact C-N 3.33Å; N882-S884 PolarHBondContact O-N 3.31Å; S884-A886 VanDerWaalsContact C-N 3.32Å; S884-A886 PolarHBondContact O-N 3.05Å; S884-E887 PolarHBondContact O-N 3.34Å; S884-A888 WeakPolarHBondContact O-CB 3.42Å; S884-A888 PolarHBondContact O-N 2.91Å
885V90.9Very high83.3Confident7 Ų746 Ų464%0.04224%0.236CC..Hα-helixtrans-66-36.2173.5-174.40000111.2M838 H841 L842 I866 I880 L881 N882 A888 L889M838-V885 HydrophobicContact CB-CG1 4.09Å; M838-V885 HydrophobicContact CG-CG1 4.19Å; H841-V885 HydrophobicContact CB-CG1 4.46Å; L842-V885 HydrophobicContact CD1-CG1 4.22Å; L842-V885 HydrophobicContact CD2-CB 4.09Å; L842-V885 HydrophobicContact CD2-CG1 4.23Å; L842-V885 HydrophobicContact CG-CB 4.33Å; L842-V885 HydrophobicContact CG-CG1 3.91Å; I866-V885 HydrophobicContact CD1-CG2 4.24Å; I880-V885 HydrophobicContact CB-CG2 4.45Å; I880-V885 HydrophobicContact CG2-CG2 3.74Å; L881-V885 PolarHBondContact O-N 3.4Å; N882-V885 PolarHBondContact O-N 3.42Å; V885-A888 PolarHBondContact O-N 3.04Å; V885-L889 WeakPolarHBondContact O-CB 3.48Å; V885-L889 PolarHBondContact O-N 3.13Å
886A91.6Very high85.1Confident1 Ų143.2 Ų43.21%0.00822%0.217CC..Hα-helixtrans-65.7-46.8174.400000112.5L842 I853 F854 N882 H883 S884 A888 L889 L890L842-A886 HydrophobicContact CD1-CB 4.42Å; L842-A886 HydrophobicContact CD2-CB 4.33Å; I853-A886 HydrophobicContact CD1-CB 3.53Å; I853-A886 HydrophobicContact CG1-CB 3.97Å; F854-A886 HydrophobicContact CD1-CB 3.7Å; F854-A886 HydrophobicContact CE1-CB 3.57Å; F854-A886 HydrophobicContact CG-CB 4.36Å; F854-A886 HydrophobicContact CZ-CB 4.15Å; N882-A886 WeakPolarHBondContact O-CB 3.3Å; N882-A886 PolarHBondContact O-N 3.11Å; H883-A886 PolarHBondContact O-N 3.03Å; S884-A886 VanDerWaalsContact C-N 3.32Å; S884-A886 PolarHBondContact O-N 3.05Å; A886-A888 VanDerWaalsContact C-N 3.35Å; A886-L889 PolarHBondContact O-N 3.05Å; A886-L890 WeakPolarHBondContact O-CG 3.44Å; A886-L890 PolarHBondContact O-N 3.38Å
887E92.4Very high87Confident71 Ų7137.1 Ų37.133%0.33219%0.187SC..Hα-helixtrans-64.9-39.2174.5-173.1172.5-177.700111.7G858 H883 S884 L889 L890 L891G858-E887 PolarHBondContact N-OE2 3.2Å; H883-E887 PolarHBondContact O-N 3.1Å; S884-E887 PolarHBondContact O-N 3.34Å; E887-L889 VanDerWaalsContact C-N 3.3Å; E887-L889 PolarHBondContact O-N 3.3Å; E887-L890 PolarHBondContact O-N 3.43Å; E887-L891 HydrophobicContact CG-CD1 4.07Å; E887-L891 HydrophobicContact CG-CG 4.43Å; E887-L891 WeakPolarHBondContact O-CB 3.33Å; E887-L891 WeakPolarHBondContact O-CG 3.34Å; E887-L891 PolarHBondContact O-N 3.43Å
888A93.1Very high88.7Confident0 Ų034.8 Ų34.80%016%0.164CC..Hα-helixtrans-61.8-35.5175.200000112.9Y786 M838 F863 I866 S884 V885 A886 F892Y786-A888 WeakPolarHBondContact CE1-O 3.3Å; Y786-A888 PolarHBondContact OH-O 2.78Å; M838-A888 HydrophobicContact SD-CB 4.24Å; F863-A888 HydrophobicContact CD2-CB 3.88Å; F863-A888 HydrophobicContact CE2-CB 4.07Å; I866-A888 HydrophobicContact CB-CB 4.31Å; I866-A888 HydrophobicContact CD1-CB 3.74Å; I866-A888 HydrophobicContact CG2-CB 3.72Å; S884-A888 WeakPolarHBondContact O-CB 3.42Å; S884-A888 PolarHBondContact O-N 2.91Å; V885-A888 PolarHBondContact O-N 3.04Å; A886-A888 VanDerWaalsContact C-N 3.35Å; A888-F892 WeakPolarHBondContact O-CB 3.18Å; A888-F892 PolarHBondContact O-N 3.29Å
889L94.8Very high90.3Very high0 Ų032.4 Ų32.40%015%0.152CC..Hα-helixtrans-68.9-41.6172.617661.1000112L835 M838 V839 L842 F854 V885 A886 E887 F892 L893 F940L835-L889 HydrophobicContact CD1-CD1 3.55Å; M838-L889 HydrophobicContact CB-CB 4.47Å; M838-L889 HydrophobicContact CB-CD1 4.44Å; M838-L889 HydrophobicContact CE-CD1 4.3Å; M838-L889 HydrophobicContact SD-CB 4.1Å; V839-L889 HydrophobicContact CG2-CD1 4.25Å; V839-L889 HydrophobicContact CG2-CD2 3.96Å; L842-L889 HydrophobicContact CD1-CD2 3.95Å; F854-L889 HydrophobicContact CE1-CD2 4.32Å; F854-L889 HydrophobicContact CZ-CD2 4.21Å; V885-L889 WeakPolarHBondContact O-CB 3.48Å; V885-L889 PolarHBondContact O-N 3.13Å; A886-L889 PolarHBondContact O-N 3.05Å; E887-L889 VanDerWaalsContact C-N 3.3Å; E887-L889 PolarHBondContact O-N 3.3Å; L889-F892 PolarHBondContact O-N 3.46Å; L889-L893 HydrophobicContact CD1-CD1 4.4Å; L889-L893 HydrophobicContact CD1-CG 4.45Å; L889-L893 HydrophobicContact CG-CD1 4.49Å; L889-L893 WeakPolarHBondContact O-CG 3.44Å; L889-L893 PolarHBondContact O-N 3.16Å; L889-L893 VanDerWaalsContact O-N 3.13Å; L889-F940 HydrophobicContact CD2-CE1 4.34Å
890L94.8Very high91.8Very high33 Ų3320.5 Ų20.517%0.17311%0.107CC..Hα-helixtrans-63.1-45.9174.8-64.1-179.6000111F854 A886 E887 F892 L893 D894 I961 F962 L965F854-L890 HydrophobicContact CD1-CD1 4.03Å; F854-L890 HydrophobicContact CD1-CD2 3.99Å; F854-L890 HydrophobicContact CD1-CG 3.97Å; F854-L890 HydrophobicContact CE1-CD2 4.24Å; F854-L890 HydrophobicContact CE1-CG 4.3Å; A886-L890 WeakPolarHBondContact O-CG 3.44Å; A886-L890 PolarHBondContact O-N 3.38Å; E887-L890 PolarHBondContact O-N 3.43Å; L890-F892 VanDerWaalsContact C-N 3.29Å; L890-F892 PolarHBondContact O-N 3.1Å; L890-L893 PolarHBondContact O-N 3.35Å; L890-D894 WeakPolarHBondContact O-CB 3.43Å; L890-D894 PolarHBondContact O-N 3.26Å; L890-I961 HydrophobicContact CD1-CG2 4Å; L890-I961 HydrophobicContact CD2-CG2 3.59Å; L890-I961 HydrophobicContact CG-CG2 4.47Å; L890-F962 HydrophobicContact CD2-CD1 4.47Å; L890-F962 HydrophobicContact CD2-CE1 3.88Å; L890-F962 HydrophobicContact CD2-CE2 3.97Å; L890-F962 HydrophobicContact CD2-CZ 3.6Å; L890-L965 HydrophobicContact CB-CD1 3.9Å; L890-L965 HydrophobicContact CD2-CD1 3.6Å; L890-L965 HydrophobicContact CG-CD1 4.3Å
891L93.9Very high92.7Very high33 Ų3319.6 Ų19.617%0.17310%0.102CC..Hα-helixtrans-61.7-34.5175.6-75.8168.4000112.7M686 Y786 F863 E887 A895M686-L891 HydrophobicContact CE-CD2 4.33Å; Y786-L891 HydrophobicContact CE1-CB 4.06Å; F863-L891 HydrophobicContact CD2-CD1 3.67Å; F863-L891 HydrophobicContact CE2-CB 4.18Å; F863-L891 HydrophobicContact CE2-CD1 3.57Å; F863-L891 HydrophobicContact CG-CD1 4.33Å; F863-L891 HydrophobicContact CZ-CD1 4.17Å; E887-L891 HydrophobicContact CG-CD1 4.07Å; E887-L891 HydrophobicContact CG-CG 4.43Å; E887-L891 WeakPolarHBondContact O-CB 3.33Å; E887-L891 WeakPolarHBondContact O-CG 3.34Å; E887-L891 PolarHBondContact O-N 3.43Å; L891-A895 WeakPolarHBondContact O-CB 3.33Å; L891-A895 PolarHBondContact O-N 2.88Å
892F95.8Very high93.2Very high2 Ų216 Ų161%0.0098%0.084CC..Hα-helixtrans-65.3-50.9176.9176.1-91.6000110.7C785 Y786 L793 E834 L835 M838 A888 L889 L890 D894 A895 L896C785-F892 HydrophobicContact CB-CE2 4.28Å; Y786-F892 HydrophobicContact CD1-CB 4.11Å; Y786-F892 HydrophobicContact CD1-CD2 4.46Å; Y786-F892 VanDerWaalsContact CE1-CA 3.45Å; Y786-F892 HydrophobicContact CE1-CB 3.59Å; Y786-F892 HydrophobicContact CE1-CD2 4.38Å; L793-F892 HydrophobicContact CD1-CE2 3.99Å; L793-F892 HydrophobicContact CD1-CZ 3.67Å; E834-F892 HydrophobicContact CB-CE2 4.42Å; L835-F892 HydrophobicContact CB-CE1 4.11Å; L835-F892 HydrophobicContact CB-CZ 4.45Å; L835-F892 HydrophobicContact CD1-CD1 3.94Å; L835-F892 HydrophobicContact CD1-CE1 3.81Å; M838-F892 HydrophobicContact CE-CB 3.83Å; M838-F892 HydrophobicContact CE-CD1 4.21Å; M838-F892 HydrophobicContact CE-CD2 3.95Å; M838-F892 HydrophobicContact CE-CG 3.74Å; A888-F892 WeakPolarHBondContact O-CB 3.18Å; A888-F892 PolarHBondContact O-N 3.29Å; L889-F892 PolarHBondContact O-N 3.46Å; L890-F892 VanDerWaalsContact C-N 3.29Å; L890-F892 PolarHBondContact O-N 3.1Å; F892-D894 VanDerWaalsContact C-N 3.34Å; F892-D894 PolarHBondContact O-N 3.19Å; F892-A895 PolarHBondContact O-N 2.95Å; F892-L896 HydrophobicContact CE1-CD2 4.14Å; F892-L896 HydrophobicContact CZ-CD2 4.3Å; F892-L896 PolarHBondContact O-N 3.35Å
893L96.1Very high93.5Very high0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-62.2-41.7179-64.6171.6000111.9L835 L889 L890 L896 V900 L937 F962 L965 L966 R968L835-L893 HydrophobicContact CD1-CD2 4.14Å; L889-L893 HydrophobicContact CD1-CD1 4.4Å; L889-L893 HydrophobicContact CD1-CG 4.45Å; L889-L893 HydrophobicContact CG-CD1 4.49Å; L889-L893 WeakPolarHBondContact O-CG 3.44Å; L889-L893 PolarHBondContact O-N 3.16Å; L889-L893 VanDerWaalsContact O-N 3.13Å; L890-L893 PolarHBondContact O-N 3.35Å; L893-L896 HydrophobicContact CD2-CD1 4.46Å; L893-V900 HydrophobicContact CD2-CG2 3.88Å; L893-L937 HydrophobicContact CD1-CD1 4.15Å; L893-L937 HydrophobicContact CD2-CD1 3.73Å; L893-F962 HydrophobicContact CD1-CD1 4.02Å; L893-F962 HydrophobicContact CD1-CE1 3.79Å; L893-L965 HydrophobicContact CB-CB 4.29Å; L893-L965 HydrophobicContact CB-CD1 4.43Å; L893-L966 HydrophobicContact CD1-CD2 4.2Å; L893-L966 HydrophobicContact CD2-CD2 4.22Å; L893-R968 PolarHBondContact O-NH1 3.08Å
894D93.3Very high93.6Very high27 Ų2721.4 Ų21.414%0.14412%0.117CC..Hα-helixtrans-62.6-38.5175.6179.463.9000113.1R746 L890 F892 L965R746-D894 WeakPolarHBondContact CD-OD2 3.45Å; R746-D894 IonicContact CZ-OD1 2.89Å; R746-D894 IonicContact CZ-OD2 3.74Å; R746-D894 IonicContact NE-OD2 2.89Å; R746-D894 IonicContact NH1-OD1 2.63Å; R746-D894 PolarHBondContact NH1-OD1 3.45Å; R746-D894 IonicContact NH1-OD2 2.87Å; R746-D894 PolarHBondContact NH1-OD2 3.38Å; L890-D894 WeakPolarHBondContact O-CB 3.43Å; L890-D894 PolarHBondContact O-N 3.26Å; F892-D894 VanDerWaalsContact C-N 3.34Å; F892-D894 PolarHBondContact O-N 3.19Å; D894-L965 HydrophobicContact CB-CD2 3.95Å
895A94.8Very high93.7Very high1 Ų122.7 Ų22.71%0.00812%0.123CC..Hα-helixtrans-81.5-11.4-177.100000115.2F685 R746 Y786 G787 L891 F892F685-A895 HydrophobicContact CE2-CB 4.36Å; F685-A895 HydrophobicContact CZ-CB 3.86Å; R746-A895 HydrophobicContact CB-CB 4.12Å; Y786-A895 HydrophobicContact CD1-CB 4.45Å; G787-A895 VanDerWaalsContact CA-O 3.29Å; G787-A895 WeakPolarHBondContact CA-O 3.49Å; L891-A895 WeakPolarHBondContact O-CB 3.33Å; L891-A895 PolarHBondContact O-N 2.88Å; F892-A895 PolarHBondContact O-N 2.95Å
896L94.1Very high93.8Very high6 Ų623.2 Ų23.23%0.03112%0.124CC..  trans-53.3139.1177.8-64.1173.7000111.6T788 I790 F892 L893 E898 V900 R968T788-L896 WeakPolarHBondContact O-CD2 3.24Å; I790-L896 HydrophobicContact CD1-CD1 3.88Å; I790-L896 HydrophobicContact CG1-CD1 4.03Å; I790-L896 HydrophobicContact CG1-CD2 4.09Å; F892-L896 HydrophobicContact CE1-CD2 4.14Å; F892-L896 HydrophobicContact CZ-CD2 4.3Å; F892-L896 PolarHBondContact O-N 3.35Å; L893-L896 HydrophobicContact CD2-CD1 4.46Å; L896-E898 WeakPolarHBondContact CB-O 3.49Å; L896-E898 PolarHBondContact O-N 2.78Å; L896-V900 HydrophobicContact CD1-CG2 3.89Å; L896-R968 PolarHBondContact O-NH2 3.14Å
897P91.5Very high93.8Very high48 Ų4828 Ų2831%0.31215%0.146SC..SBendtrans-60.2-46.8174.2-21.832.1000112P750 G787 T788P750-P897 HydrophobicContact CB-CB 4.24Å; P750-P897 HydrophobicContact CB-CG 3.95Å; P750-P897 HydrophobicContact CG-CB 4.38Å; P750-P897 HydrophobicContact CG-CG 4.05Å; G787-P897 WeakPolarHBondContact O-CG 2.95Å; T788-P897 WeakPolarHBondContact O-CD 3.49Å
898E91.4Very high93.8Very high59 Ų5928.3 Ų28.328%0.27615%0.148SC..SBendtrans-110.9126.9175.3-166.665.1-153.100108.8L896 P902 F903L896-E898 WeakPolarHBondContact CB-O 3.49Å; L896-E898 PolarHBondContact O-N 2.78Å; E898-P902 HydrophobicContact CG-CB 3.97Å; E898-P902 HydrophobicContact CG-CG 4.39Å; E898-P902 WeakPolarHBondContact OE1-CA 3.27Å; E898-P902 VanDerWaalsContact OE1-CB 3.25Å; E898-P902 WeakPolarHBondContact OE1-CB 3.28Å; E898-F903 WeakPolarHBondContact OE1-CD2 3.4Å; E898-F903 PolarHBondContact OE1-N 3.25Å; E898-F903 WeakPolarHBondContact OE2-CD2 3.49Å
899P94.9Very high93.8Very high0 Ų028.3 Ų28.30%015%0.148CC..  trans-61.3158.417820.3-29.7000113I901 F903 H930 R968P899-I901 WeakPolarHBondContact CB-O 3.43Å; P899-I901 VanDerWaalsContact CG-O 3.27Å; P899-I901 WeakPolarHBondContact CG-O 3.31Å; P899-I901 CarbonylContact O-C 3.54Å; P899-I901 VanDerWaalsContact O-C 3.29Å; P899-I901 PolarHBondContact O-N 3.09Å; P899-F903 HydrophobicContact CG-CD1 3.87Å; P899-F903 HydrophobicContact CG-CD2 4.13Å; P899-F903 HydrophobicContact CG-CE1 3.8Å; P899-F903 HydrophobicContact CG-CE2 4.05Å; P899-F903 HydrophobicContact CG-CG 4.05Å; P899-F903 HydrophobicContact CG-CZ 3.89Å; P899-H930 PolarHBondContact O-CE1 3.5Å; P899-H930 VanDerWaalsContact O-CE1 3.26Å; P899-H930 PolarHBondContact O-ND1 2.92Å; P899-H930 VanDerWaalsContact O-ND1 3.16Å; P899-R968 HydrophobicContact CB-CB 4.28Å; P899-R968 HydrophobicContact CB-CG 4.4Å; P899-R968 HydrophobicContact CG-CB 4.29Å
900V95.9Very high93.6Very high1 Ų128.6 Ų28.61%0.00615%0.149CC..SBendtrans-54.1-40.1-179.7174.70000111.6I790 L893 L896 H930 V933 F934 L966I790-V900 HydrophobicContact CD1-CG2 4.1Å; L893-V900 HydrophobicContact CD2-CG2 3.88Å; L896-V900 HydrophobicContact CD1-CG2 3.89Å; V900-H930 WeakPolarHBondContact O-CB 3.35Å; V900-H930 PolarHBondContact O-ND1 3.16Å; V900-V933 HydrophobicContact CB-CG1 4.45Å; V900-V933 HydrophobicContact CG1-CB 4.36Å; V900-V933 HydrophobicContact CG1-CG1 3.8Å; V900-V933 HydrophobicContact CG2-CG1 3.76Å; V900-F934 HydrophobicContact CG1-CB 3.83Å; V900-F934 HydrophobicContact CG1-CD2 4.28Å; V900-L966 HydrophobicContact CB-CB 4.44Å; V900-L966 HydrophobicContact CB-CD2 3.66Å; V900-L966 HydrophobicContact CG1-CD2 4.08Å; V900-L966 HydrophobicContact CG2-CD2 3.51Å
901I95.4Very high93.5Very high2 Ų232.9 Ų32.91%0.0117%0.168CC..SBendtrans-95.3111.2159.8-58.8172.3000107.1P899 F905 I923 L926 F934 L966 L967 F984P899-I901 WeakPolarHBondContact CB-O 3.43Å; P899-I901 VanDerWaalsContact CG-O 3.27Å; P899-I901 WeakPolarHBondContact CG-O 3.31Å; P899-I901 CarbonylContact O-C 3.54Å; P899-I901 VanDerWaalsContact O-C 3.29Å; P899-I901 PolarHBondContact O-N 3.09Å; I901-F905 HydrophobicContact CG2-CB 3.86Å; I901-I923 HydrophobicContact CD1-CD1 4.02Å; I901-I923 HydrophobicContact CG1-CD1 4.26Å; I901-L926 HydrophobicContact CG1-CD1 4.22Å; I901-L926 HydrophobicContact CG2-CD2 4.26Å; I901-F934 HydrophobicContact CD1-CD2 4.12Å; I901-F934 HydrophobicContact CD1-CE2 3.78Å; I901-F934 HydrophobicContact CG1-CD2 4.02Å; I901-F934 HydrophobicContact CG1-CE2 4.21Å; I901-L966 WeakPolarHBondContact CB-O 3.38Å; I901-L966 PolarHBondContact N-O 3.16Å; I901-L967 HydrophobicContact CB-CD1 3.97Å; I901-L967 HydrophobicContact CD1-CB 4.34Å; I901-L967 HydrophobicContact CD1-CD1 4.1Å; I901-L967 HydrophobicContact CG2-CD1 3.74Å; I901-F984 HydrophobicContact CD1-CD1 4.35Å; I901-F984 HydrophobicContact CD1-CE1 3.54Å; I901-F984 HydrophobicContact CD1-CZ 4.21Å
902P94.6Very high93.3Very high7 Ų731.6 Ų31.65%0.04516%0.162CC..  trans-57.1151.1-176.1-26.435.8000113.3E898 S904 F905 Y906 P927E898-P902 HydrophobicContact CG-CB 3.97Å; E898-P902 HydrophobicContact CG-CG 4.39Å; E898-P902 WeakPolarHBondContact OE1-CA 3.27Å; E898-P902 VanDerWaalsContact OE1-CB 3.25Å; E898-P902 WeakPolarHBondContact OE1-CB 3.28Å; P902-S904 PolarHBondContact O-N 3.2Å; P902-F905 HydrophobicContact CB-CD2 4.21Å; P902-F905 HydrophobicContact CG-CD2 4.32Å; P902-F905 PolarHBondContact O-N 2.91Å; P902-Y906 PolarHBondContact O-N 3.1Å; P902-P927 HydrophobicContact CG-CG 4.44Å
903F93.5Very high93.1Very high64 Ų6431.7 Ų31.728%0.28116%0.163SC..G310 helixtrans-55.6-28.9-179.1-67.1-64.4000112.8E898 P899 F905 Y906 R968 T970E898-F903 WeakPolarHBondContact OE1-CD2 3.4Å; E898-F903 PolarHBondContact OE1-N 3.25Å; E898-F903 WeakPolarHBondContact OE2-CD2 3.49Å; P899-F903 HydrophobicContact CG-CD1 3.87Å; P899-F903 HydrophobicContact CG-CD2 4.13Å; P899-F903 HydrophobicContact CG-CE1 3.8Å; P899-F903 HydrophobicContact CG-CE2 4.05Å; P899-F903 HydrophobicContact CG-CG 4.05Å; P899-F903 HydrophobicContact CG-CZ 3.89Å; F903-F905 VanDerWaalsContact C-N 3.26Å; F903-F905 PolarHBondContact O-N 3.02Å; F903-Y906 WeakPolarHBondContact O-CB 3.5Å; F903-Y906 PolarHBondContact O-N 2.78Å; F903-R968 VanDerWaalsContact CD1-O 3.3Å; F903-R968 WeakPolarHBondContact CD1-O 3.49Å; F903-R968 HydrophobicContact CE1-CB 3.87Å; F903-T970 HydrophobicContact CB-CG2 4.37Å; F903-T970 HydrophobicContact CD1-CG2 3.61Å; F903-T970 HydrophobicContact CD2-CG2 4.27Å; F903-T970 HydrophobicContact CE1-CG2 3.8Å; F903-T970 HydrophobicContact CE2-CG2 4.45Å; F903-T970 HydrophobicContact CG-CG2 3.85Å; F903-T970 HydrophobicContact CZ-CG2 4.23Å
904S92.6Very high92.6Very high86 Ų8636.6 Ų36.660%0.60120%0.197SC*.G310 helixtrans-64.4-24.5175.155.80000114.2P902P902-S904 PolarHBondContact O-N 3.2Å
905F93.1Very high92.5Very high29 Ų2937.5 Ų37.513%0.12721%0.206CC..G310 helixtrans-96.4-10.3176.5-70.1-89.2000113.4I901 P902 F903 Q907 Q908 C909 I922 M925 L926I901-F905 HydrophobicContact CG2-CB 3.86Å; P902-F905 HydrophobicContact CB-CD2 4.21Å; P902-F905 HydrophobicContact CG-CD2 4.32Å; P902-F905 PolarHBondContact O-N 2.91Å; F903-F905 VanDerWaalsContact C-N 3.26Å; F903-F905 PolarHBondContact O-N 3.02Å; F905-Q907 PolarHBondContact O-N 3.48Å; F905-Q908 PolarHBondContact O-N 3.2Å; F905-C909 PolarHBondContact O-N 3.02Å; F905-C909 VanDerWaalsContact O-N 3.08Å; F905-C909 PolarHBondContact O-SG 3.43Å; F905-I922 HydrophobicContact CD1-CG2 3.99Å; F905-M925 HydrophobicContact CE1-CB 4.28Å; F905-L926 HydrophobicContact CB-CD2 4.28Å; F905-L926 HydrophobicContact CD1-CD2 4.09Å; F905-L926 HydrophobicContact CD2-CD2 3.69Å; F905-L926 HydrophobicContact CE1-CD2 4.3Å; F905-L926 HydrophobicContact CE2-CD2 3.94Å; F905-L926 HydrophobicContact CG-CD2 3.76Å; F905-L926 HydrophobicContact CZ-CD2 4.23Å
906Y92.6Very high92.1Very high18 Ų1838.7 Ų38.77%0.07122%0.215CC..Hα-helixtrans-50.2-51.7-174.5178.1-98.2000113.2P902 F903 Q908 C909 L910 L967 R968 Q973 E977 T981P902-Y906 PolarHBondContact O-N 3.1Å; F903-Y906 WeakPolarHBondContact O-CB 3.5Å; F903-Y906 PolarHBondContact O-N 2.78Å; Y906-Q908 VanDerWaalsContact C-N 3.35Å; Y906-Q908 PolarHBondContact O-N 2.89Å; Y906-C909 WeakPolarHBondContact O-CB 3.49Å; Y906-C909 PolarHBondContact O-N 2.87Å; Y906-L910 HydrophobicContact CD1-CD1 4.08Å; Y906-L910 HydrophobicContact CE1-CD1 3.4Å; Y906-L910 VanDerWaalsContact CE1-CD1 3.4Å; Y906-L910 HydrophobicContact CE1-CG 4.12Å; Y906-L910 PolarHBondContact O-N 2.89Å; Y906-L910 VanDerWaalsContact O-N 3.16Å; Y906-L967 HydrophobicContact CD2-CD1 3.79Å; Y906-L967 HydrophobicContact CD2-CG 3.93Å; Y906-L967 HydrophobicContact CE2-CG 4.21Å; Y906-R968 WeakPolarHBondContact CD2-O 3.39Å; Y906-Q973 PolarHBondContact OH-NE2 2.85Å; Y906-E977 PolarHBondContact OH-OE2 2.85Å; Y906-T981 HydrophobicContact CE2-CG2 4.05Å
907Q91.3Very high91.8Very high102 Ų10240.7 Ų40.748%0.47724%0.237SC..Hα-helixtrans-62.7-40.1-179.1-176.961.626.200112.4F905 C909 L910 E911F905-Q907 PolarHBondContact O-N 3.48Å; Q907-C909 VanDerWaalsContact C-N 3.3Å; Q907-C909 PolarHBondContact O-N 3.33Å; Q907-L910 PolarHBondContact O-N 2.81Å; Q907-E911 WeakPolarHBondContact CG-OE1 3.45Å; Q907-E911 PolarHBondContact NE2-OE1 3.48Å; Q907-E911 WeakPolarHBondContact O-CG 3.25Å; Q907-E911 PolarHBondContact O-N 2.96Å; Q907-E911 VanDerWaalsContact O-N 3.09Å
908Q92.3Very high91.7Very high76 Ų7643.4 Ų43.436%0.35525%0.246SC..Hα-helixtrans-65.6-36.4179.9-58.317845.100111F905 Y906 E911 C912 I922F905-Q908 PolarHBondContact O-N 3.2Å; Y906-Q908 VanDerWaalsContact C-N 3.35Å; Y906-Q908 PolarHBondContact O-N 2.89Å; Q908-E911 PolarHBondContact O-N 3.3Å; Q908-C912 PolarHBondContact O-N 3.4Å; Q908-C912 PolarHBondContact O-SG 3.4Å; Q908-I922 HydrophobicContact CB-CD1 4.03Å
909C92.3Very high91.6Very high0 Ų040.6 Ų40.60%023%0.233CC..Hα-helixtrans-65.4-41.4174.6-58.60000112F905 Y906 Q907 E911 S913 L967 F984F905-C909 PolarHBondContact O-N 3.02Å; F905-C909 VanDerWaalsContact O-N 3.08Å; F905-C909 PolarHBondContact O-SG 3.43Å; Y906-C909 WeakPolarHBondContact O-CB 3.49Å; Y906-C909 PolarHBondContact O-N 2.87Å; Q907-C909 VanDerWaalsContact C-N 3.3Å; Q907-C909 PolarHBondContact O-N 3.33Å; C909-E911 VanDerWaalsContact C-N 3.27Å; C909-E911 PolarHBondContact O-N 3.37Å; C909-S913 WeakPolarHBondContact O-CB 3.16Å; C909-S913 PolarHBondContact O-N 2.79Å; C909-L967 HydrophobicContact CB-CD1 3.89Å; C909-L967 HydrophobicContact CB-CD2 3.7Å; C909-L967 HydrophobicContact CB-CG 4.46Å; C909-F984 HydrophobicContact CB-CD1 4.44Å; C909-F984 HydrophobicContact CB-CD2 3.7Å; C909-F984 HydrophobicContact CB-CE1 4.42Å; C909-F984 HydrophobicContact CB-CE2 3.64Å; C909-F984 HydrophobicContact CB-CG 4.12Å; C909-F984 HydrophobicContact CB-CZ 4.03Å; C909-F984 WeakPolarHBondContact O-CD2 3.49Å
910L91.6Very high91.4Very high6 Ų644.9 Ų44.93%0.03125%0.253CS..Hα-helixtrans-65.2-28.7174.8-68-175.9000113.3Y906 Q907 S913 E977 K980 T981Y906-L910 HydrophobicContact CD1-CD1 4.08Å; Y906-L910 HydrophobicContact CE1-CD1 3.4Å; Y906-L910 VanDerWaalsContact CE1-CD1 3.4Å; Y906-L910 HydrophobicContact CE1-CG 4.12Å; Y906-L910 PolarHBondContact O-N 2.89Å; Y906-L910 VanDerWaalsContact O-N 3.16Å; Q907-L910 PolarHBondContact O-N 2.81Å; L910-S913 PolarHBondContact O-OG 3.23Å; L910-E977 HydrophobicContact CD1-CG 4.03Å; L910-K980 HydrophobicContact CB-CD 4.49Å; L910-K980 HydrophobicContact CD2-CB 3.64Å; L910-K980 HydrophobicContact CD2-CD 4.46Å; L910-K980 WeakPolarHBondContact O-CD 3.34Å; L910-K980 PolarHBondContact O-NZ 2.92Å; L910-T981 HydrophobicContact CD2-CG2 3.68Å
911E91.8Very high91.1Very high123 Ų12351.3 Ų51.358%0.57528%0.281SS*.Hα-helixtrans-81.1-38.6179.6-74.3171.4-169.400112.5Q907 Q908 C909Q907-E911 WeakPolarHBondContact CG-OE1 3.45Å; Q907-E911 PolarHBondContact NE2-OE1 3.48Å; Q907-E911 WeakPolarHBondContact O-CG 3.25Å; Q907-E911 PolarHBondContact O-N 2.96Å; Q907-E911 VanDerWaalsContact O-N 3.09Å; Q908-E911 PolarHBondContact O-N 3.3Å; C909-E911 VanDerWaalsContact C-N 3.27Å; C909-E911 PolarHBondContact O-N 3.37Å
912C91.4Very high90.9Very high7 Ų752.1 Ų52.15%0.04729%0.285CS..Hα-helixtrans-90.5-5.1178.9690000115.6Q908 S914 S915 Q918 C919Q908-C912 PolarHBondContact O-N 3.4Å; Q908-C912 PolarHBondContact O-SG 3.4Å; C912-S914 PolarHBondContact O-N 2.85Å; C912-S915 PolarHBondContact O-N 3.47Å; C912-Q918 HydrophobicContact CB-CB 3.66Å; C912-C919 PolarHBondContact O-SG 2.63Å
913S89.7Confident90.8Very high3 Ų352.1 Ų52.12%0.02128%0.284CS..THydrogen-bonded Turntrans-47.2-23-175.952.90000116.9C909 L910 K980 H987C909-S913 WeakPolarHBondContact O-CB 3.16Å; C909-S913 PolarHBondContact O-N 2.79Å; L910-S913 PolarHBondContact O-OG 3.23Å; S913-K980 WeakPolarHBondContact CB-O 3.36Å; S913-H987 PolarHBondContact O-NE2 2.91Å
914S87.1Confident90.7Very high104 Ų10452 Ų5273%0.72729%0.291SS*.THydrogen-bonded Turntrans-86.7-1.3176.658.80000115.1C912C912-S914 PolarHBondContact O-N 2.85Å
915S90.3Very high90.7Very high45 Ų4552.8 Ų52.832%0.31529%0.287SS..  trans-139.4104.2-172.4-170.30000112.6C912 G917 Q918 C919C912-S915 PolarHBondContact O-N 3.47Å; S915-G917 PolarHBondContact O-N 3.23Å; S915-Q918 WeakPolarHBondContact O-CB 3.32Å; S915-Q918 PolarHBondContact O-N 3.05Å; S915-C919 PolarHBondContact O-N 3.06Å; S915-C919 PolarHBondContact O-SG 2.94Å
916A86.8Confident90.7Very high26 Ų2651.8 Ų51.822%0.21528%0.283CS..Hα-helixtrans-50.8-50.8-17800000113.5Q918 C919 E920 H987A916-Q918 PolarHBondContact O-N 3.39Å; A916-C919 CarbonylContact O-C 3.59Å; A916-C919 WeakPolarHBondContact O-CA 3.33Å; A916-C919 WeakPolarHBondContact O-CB 3.47Å; A916-C919 PolarHBondContact O-N 2.84Å; A916-E920 PolarHBondContact O-N 2.68Å; A916-H987 HydrophobicContact CB-CB 4.06Å
917G87.9Confident90.7Very high48 Ų4853.5 Ų53.550%0.49530%0.296SS..Hα-helixtrans-67.1-17.3179.800000114.9S915S915-G917 PolarHBondContact O-N 3.23Å
918Q88.5Confident90.6Very high106 Ų10653 Ų5350%0.49530%0.302SS..Hα-helixtrans-84.2-38.4167.8-64.9-174.9-11.300111.2C912 S915 A916 K921 I922C912-Q918 HydrophobicContact CB-CB 3.66Å; S915-Q918 WeakPolarHBondContact O-CB 3.32Å; S915-Q918 PolarHBondContact O-N 3.05Å; A916-Q918 PolarHBondContact O-N 3.39Å; Q918-K921 WeakPolarHBondContact O-CB 3.38Å; Q918-K921 PolarHBondContact O-N 3.34Å; Q918-K921 VanDerWaalsContact O-N 3.16Å; Q918-I922 PolarHBondContact O-N 2.94Å; Q918-I922 VanDerWaalsContact O-N 3.1Å
919C90.8Very high90.6Very high0 Ų051 Ų510%029%0.292CS..Hα-helixtrans-58.9-48.3173.3-59.30000110.9C912 S915 A916 K921 I922 I923 F984 F988C912-C919 PolarHBondContact O-SG 2.63Å; S915-C919 PolarHBondContact O-N 3.06Å; S915-C919 PolarHBondContact O-SG 2.94Å; A916-C919 CarbonylContact O-C 3.59Å; A916-C919 WeakPolarHBondContact O-CA 3.33Å; A916-C919 WeakPolarHBondContact O-CB 3.47Å; A916-C919 PolarHBondContact O-N 2.84Å; C919-K921 VanDerWaalsContact C-N 3.25Å; C919-K921 PolarHBondContact O-N 3.18Å; C919-I922 PolarHBondContact O-N 3.41Å; C919-I922 VanDerWaalsContact O-N 3.09Å; C919-I923 PolarHBondContact O-N 3.39Å; C919-F984 HydrophobicContact CB-CD2 3.98Å; C919-F984 HydrophobicContact CB-CE2 3.66Å; C919-F984 HydrophobicContact CB-CZ 4.27Å; C919-F984 WeakPolarHBondContact SG-CD2 3.41Å; C919-F988 HydrophobicContact CB-CE2 3.79Å; C919-F988 HydrophobicContact CB-CZ 3.62Å
920E89.5Confident90.8Very high90 Ų9051.6 Ų51.642%0.42130%0.295SS..Hα-helixtrans-52.8-42.6173.3-75170.3-123.700112.1A916 I922 I923 S924 F988 Q991A916-E920 PolarHBondContact O-N 2.68Å; E920-I922 PolarHBondContact O-N 2.97Å; E920-I923 PolarHBondContact O-N 2.9Å; E920-S924 WeakPolarHBondContact O-CB 3.18Å; E920-S924 PolarHBondContact O-N 3.28Å; E920-F988 HydrophobicContact CG-CE1 4.22Å; E920-Q991 PolarHBondContact OE1-NE2 3.05Å
921K90.4Very high90.9Very high136 Ų13654.5 Ų54.559%0.59131%0.307SS*.Hα-helixtrans-63.1-42.2178.4-172.8-179.2175.7-173.30111.3Q918 C919 S924 M925Q918-K921 WeakPolarHBondContact O-CB 3.38Å; Q918-K921 PolarHBondContact O-N 3.34Å; Q918-K921 VanDerWaalsContact O-N 3.16Å; C919-K921 VanDerWaalsContact C-N 3.25Å; C919-K921 PolarHBondContact O-N 3.18Å; K921-S924 PolarHBondContact O-N 3Å; K921-S924 PolarHBondContact O-OG 3.47Å; K921-M925 HydrophobicContact CG-SD 4.4Å; K921-M925 WeakPolarHBondContact O-CG 3.29Å; K921-M925 PolarHBondContact O-N 3.26Å
922I91.5Very high91.1Very high19 Ų1951.1 Ų51.110%0.09729%0.293CS..Hα-helixtrans-62.9-47.6175.3-61.5-56.2000111F905 Q908 Q918 C919 E920 S924 M925 L926F905-I922 HydrophobicContact CD1-CG2 3.99Å; Q908-I922 HydrophobicContact CB-CD1 4.03Å; Q918-I922 PolarHBondContact O-N 2.94Å; Q918-I922 VanDerWaalsContact O-N 3.1Å; C919-I922 PolarHBondContact O-N 3.41Å; C919-I922 VanDerWaalsContact O-N 3.09Å; E920-I922 PolarHBondContact O-N 2.97Å; I922-S924 PolarHBondContact O-N 3.47Å; I922-M925 PolarHBondContact O-N 3.16Å; I922-L926 PolarHBondContact O-N 3.2Å
923I92.5Very high91.4Very high6 Ų650.9 Ų50.93%0.03129%0.292CS..Hα-helixtrans-59.9-34.8175.2-62-54.9000111.7I901 C919 E920 M925 L926 F934 F984 F988I901-I923 HydrophobicContact CD1-CD1 4.02Å; I901-I923 HydrophobicContact CG1-CD1 4.26Å; C919-I923 PolarHBondContact O-N 3.39Å; E920-I923 PolarHBondContact O-N 2.9Å; I923-M925 PolarHBondContact O-N 3.46Å; I923-L926 HydrophobicContact CD1-CD1 3.67Å; I923-L926 PolarHBondContact O-N 2.77Å; I923-F934 HydrophobicContact CB-CE1 4.42Å; I923-F934 HydrophobicContact CD1-CD1 3.85Å; I923-F934 HydrophobicContact CD1-CD2 4.09Å; I923-F934 HydrophobicContact CD1-CE1 3.62Å; I923-F934 HydrophobicContact CD1-CE2 3.88Å; I923-F934 HydrophobicContact CD1-CG 4.08Å; I923-F934 HydrophobicContact CD1-CZ 3.64Å; I923-F934 HydrophobicContact CG1-CD1 4.1Å; I923-F934 HydrophobicContact CG1-CE1 3.66Å; I923-F934 HydrophobicContact CG1-CZ 4.01Å; I923-F934 HydrophobicContact CG2-CD1 3.59Å; I923-F934 HydrophobicContact CG2-CE1 3.88Å; I923-F934 HydrophobicContact CG2-CG 4.43Å; I923-F984 HydrophobicContact CD1-CE1 4.12Å; I923-F984 HydrophobicContact CD1-CZ 3.89Å; I923-F984 HydrophobicContact CG1-CZ 4.19Å; I923-F988 HydrophobicContact CB-CE1 4.37Å; I923-F988 HydrophobicContact CB-CZ 4.32Å; I923-F988 HydrophobicContact CD1-CZ 4.4Å; I923-F988 HydrophobicContact CG1-CE1 3.78Å; I923-F988 HydrophobicContact CG1-CE2 4.03Å; I923-F988 HydrophobicContact CG1-CZ 3.36Å
924S91Very high91.7Very high61 Ų6150.8 Ų50.843%0.42729%0.291SS..Hα-helixtrans-66.1-23.4177.783.60000113.7E920 K921 I922 K931E920-S924 WeakPolarHBondContact O-CB 3.18Å; E920-S924 PolarHBondContact O-N 3.28Å; K921-S924 PolarHBondContact O-N 3Å; K921-S924 PolarHBondContact O-OG 3.47Å; I922-S924 PolarHBondContact O-N 3.47Å; S924-K931 PolarHBondContact O-NZ 3.36Å
925M93.1Very high92.1Very high103 Ų10349.2 Ų49.251%0.50727%0.274SS..THydrogen-bonded Turntrans-94.9-1.6-179.1-68.6172.554.200114.4F905 K921 I922 I923F905-M925 HydrophobicContact CE1-CB 4.28Å; K921-M925 HydrophobicContact CG-SD 4.4Å; K921-M925 WeakPolarHBondContact O-CG 3.29Å; K921-M925 PolarHBondContact O-N 3.26Å; I922-M925 PolarHBondContact O-N 3.16Å; I923-M925 PolarHBondContact O-N 3.46Å
926L92.6Very high92.3Very high9 Ų950.1 Ų50.15%0.04727%0.271CS..SBendtrans-68154.2177.4-66-178000112.5I901 F905 I922 I923 K931I901-L926 HydrophobicContact CG1-CD1 4.22Å; I901-L926 HydrophobicContact CG2-CD2 4.26Å; F905-L926 HydrophobicContact CB-CD2 4.28Å; F905-L926 HydrophobicContact CD1-CD2 4.09Å; F905-L926 HydrophobicContact CD2-CD2 3.69Å; F905-L926 HydrophobicContact CE1-CD2 4.3Å; F905-L926 HydrophobicContact CE2-CD2 3.94Å; F905-L926 HydrophobicContact CG-CD2 3.76Å; F905-L926 HydrophobicContact CZ-CD2 4.23Å; I922-L926 PolarHBondContact O-N 3.2Å; I923-L926 HydrophobicContact CD1-CD1 3.67Å; I923-L926 PolarHBondContact O-N 2.77Å; L926-K931 HydrophobicContact CB-CB 3.99Å
927P92Very high92.8Very high53 Ų5348.9 Ų48.934%0.34426%0.261SS..  trans-53.2145.8172-2534000112P902 F929 H930 K931P902-P927 HydrophobicContact CG-CG 4.44Å; P927-F929 PolarHBondContact O-N 3.39Å; P927-H930 HydrophobicContact CB-CB 4.33Å; P927-H930 WeakPolarHBondContact O-CB 3.33Å; P927-H930 PolarHBondContact O-N 3.23Å; P927-H930 VanDerWaalsContact O-N 3.1Å; P927-K931 WeakPolarHBondContact O-CB 3.36Å; P927-K931 PolarHBondContact O-N 3.25Å
928P89.9Confident93.1Very high92 Ų9246.6 Ų46.660%0.59724%0.238SC*.Hα-helixtrans-51.8-50.8-168.4-30.236000114.9K931 N932P928-K931 WeakPolarHBondContact O-CB 3.43Å; P928-K931 PolarHBondContact O-N 3.41Å; P928-N932 WeakPolarHBondContact O-CB 3.46Å; P928-N932 PolarHBondContact O-N 2.82Å; P928-N932 PolarHBondContact O-OD1 3.03Å
929F93Very high93.3Very high33 Ų3343.6 Ų43.615%0.14523%0.231CC..Hα-helixtrans-67-40.1-179.6-50.1-64.3000112.7I790 Y791 C794 H795 P828 L829 P927 K931 N932 V933I790-F929 HydrophobicContact CG2-CB 3.65Å; Y791-F929 HydrophobicContact CD2-CD2 4.21Å; Y791-F929 AromaticContact CD2-CE2 3.96Å; Y791-F929 HydrophobicContact CD2-CE2 3.96Å; Y791-F929 HydrophobicContact CE2-CE2 4.33Å; C794-F929 HydrophobicContact CB-CD1 3.71Å; C794-F929 HydrophobicContact CB-CE1 3.83Å; C794-F929 HydrophobicContact CB-CG 4.08Å; C794-F929 HydrophobicContact CB-CZ 4.31Å; C794-F929 VanDerWaalsContact SG-CD1 3.58Å; H795-F929 AromaticContact CE1-CE2 3.75Å; H795-F929 AromaticContact CE1-CZ 3.8Å; P828-F929 HydrophobicContact CB-CE1 4.16Å; P828-F929 HydrophobicContact CB-CZ 4.05Å; P828-F929 HydrophobicContact CG-CE1 4.13Å; P828-F929 HydrophobicContact CG-CZ 3.81Å; L829-F929 WeakPolarHBondContact O-CD1 3.44Å; L829-F929 VanDerWaalsContact O-CE1 3.29Å; L829-F929 WeakPolarHBondContact O-CE1 3.38Å; P927-F929 PolarHBondContact O-N 3.39Å; F929-K931 PolarHBondContact O-N 2.97Å; F929-N932 PolarHBondContact O-N 3.17Å; F929-V933 WeakPolarHBondContact O-CB 3.27Å; F929-V933 WeakPolarHBondContact O-CG2 3.49Å; F929-V933 PolarHBondContact O-N 3.05Å
930H95Very high93.4Very high13 Ų1344 Ų446%0.0623%0.233CC..Hα-helixtrans-61.6-44.2175.5-79.7-105.6000111.7P899 V900 P927 V933 F934P899-H930 PolarHBondContact O-CE1 3.5Å; P899-H930 VanDerWaalsContact O-CE1 3.26Å; P899-H930 PolarHBondContact O-ND1 2.92Å; P899-H930 VanDerWaalsContact O-ND1 3.16Å; V900-H930 WeakPolarHBondContact O-CB 3.35Å; V900-H930 PolarHBondContact O-ND1 3.16Å; P927-H930 HydrophobicContact CB-CB 4.33Å; P927-H930 WeakPolarHBondContact O-CB 3.33Å; P927-H930 PolarHBondContact O-N 3.23Å; P927-H930 VanDerWaalsContact O-N 3.1Å; H930-V933 PolarHBondContact O-N 3.04Å; H930-F934 WeakPolarHBondContact O-CB 3.4Å; H930-F934 PolarHBondContact O-N 2.85Å
931K94.8Very high93.6Very high67 Ų6739.7 Ų39.729%0.29121%0.213SC..Hα-helixtrans-61.7-43.9174.9-175.6173.2174.5177.60112.1S924 L926 P927 P928 F929 F934 N935S924-K931 PolarHBondContact O-NZ 3.36Å; L926-K931 HydrophobicContact CB-CB 3.99Å; P927-K931 WeakPolarHBondContact O-CB 3.36Å; P927-K931 PolarHBondContact O-N 3.25Å; P928-K931 WeakPolarHBondContact O-CB 3.43Å; P928-K931 PolarHBondContact O-N 3.41Å; F929-K931 PolarHBondContact O-N 2.97Å; K931-F934 PolarHBondContact O-N 3.27Å; K931-N935 WeakPolarHBondContact O-CB 3.46Å; K931-N935 PolarHBondContact O-N 3.38Å; K931-N935 PolarHBondContact O-ND2 3.27Å; K931-N935 VanDerWaalsContact O-ND2 3.13Å
932N95.4Very high93.6Very high52 Ų5236.9 Ų36.928%0.27820%0.198SC..Hα-helixtrans-64.8-47.3177.7-69.5-9000111.4D830 I831 P928 F929 F934 N935 Y936D830-N932 WeakPolarHBondContact O-CB 3.31Å; D830-N932 PolarHBondContact O-ND2 3.24Å; I831-N932 HydrophobicContact CG2-CB 3.76Å; P928-N932 WeakPolarHBondContact O-CB 3.46Å; P928-N932 PolarHBondContact O-N 2.82Å; P928-N932 PolarHBondContact O-OD1 3.03Å; F929-N932 PolarHBondContact O-N 3.17Å; N932-F934 PolarHBondContact O-N 3.25Å; N932-N935 PolarHBondContact O-N 3.3Å; N932-Y936 VanDerWaalsContact O-CB 3.25Å; N932-Y936 WeakPolarHBondContact O-CB 3.33Å; N932-Y936 PolarHBondContact O-N 3.09Å
933V96.7Very high93.5Very high3 Ų339 Ų392%0.01821%0.207CC..Hα-helixtrans-59.1-45.3175.6167.30000111.4I790 I831 P832 L835 V900 F929 H930 Y936 L937I790-V933 HydrophobicContact CD1-CB 4.44Å; I790-V933 HydrophobicContact CD1-CG1 4.25Å; I790-V933 HydrophobicContact CD1-CG2 4.4Å; I790-V933 HydrophobicContact CG2-CG2 3.98Å; I831-V933 HydrophobicContact CB-CG2 4.31Å; I831-V933 HydrophobicContact CG2-CG2 4Å; P832-V933 HydrophobicContact CG-CG2 4.35Å; L835-V933 HydrophobicContact CD2-CB 4.25Å; L835-V933 HydrophobicContact CD2-CG1 3.7Å; L835-V933 HydrophobicContact CD2-CG2 3.84Å; V900-V933 HydrophobicContact CB-CG1 4.45Å; V900-V933 HydrophobicContact CG1-CB 4.36Å; V900-V933 HydrophobicContact CG1-CG1 3.8Å; V900-V933 HydrophobicContact CG2-CG1 3.76Å; F929-V933 WeakPolarHBondContact O-CB 3.27Å; F929-V933 WeakPolarHBondContact O-CG2 3.49Å; F929-V933 PolarHBondContact O-N 3.05Å; H930-V933 PolarHBondContact O-N 3.04Å; V933-Y936 PolarHBondContact O-N 2.88Å; V933-L937 HydrophobicContact CG1-CD1 3.83Å; V933-L937 WeakPolarHBondContact O-CB 3.36Å; V933-L937 WeakPolarHBondContact O-CG 3.32Å; V933-L937 PolarHBondContact O-N 2.85Å
934F96.6Very high93.3Very high0 Ų038.7 Ų38.70%021%0.206CC..Hα-helixtrans-59.4-50.1176-176.3-90.3000112V900 I901 I923 H930 K931 N932 Y936 L937 A938 F985 F988V900-F934 HydrophobicContact CG1-CB 3.83Å; V900-F934 HydrophobicContact CG1-CD2 4.28Å; I901-F934 HydrophobicContact CD1-CD2 4.12Å; I901-F934 HydrophobicContact CD1-CE2 3.78Å; I901-F934 HydrophobicContact CG1-CD2 4.02Å; I901-F934 HydrophobicContact CG1-CE2 4.21Å; I923-F934 HydrophobicContact CB-CE1 4.42Å; I923-F934 HydrophobicContact CD1-CD1 3.85Å; I923-F934 HydrophobicContact CD1-CD2 4.09Å; I923-F934 HydrophobicContact CD1-CE1 3.62Å; I923-F934 HydrophobicContact CD1-CE2 3.88Å; I923-F934 HydrophobicContact CD1-CG 4.08Å; I923-F934 HydrophobicContact CD1-CZ 3.64Å; I923-F934 HydrophobicContact CG1-CD1 4.1Å; I923-F934 HydrophobicContact CG1-CE1 3.66Å; I923-F934 HydrophobicContact CG1-CZ 4.01Å; I923-F934 HydrophobicContact CG2-CD1 3.59Å; I923-F934 HydrophobicContact CG2-CE1 3.88Å; I923-F934 HydrophobicContact CG2-CG 4.43Å; H930-F934 WeakPolarHBondContact O-CB 3.4Å; H930-F934 PolarHBondContact O-N 2.85Å; K931-F934 PolarHBondContact O-N 3.27Å; N932-F934 PolarHBondContact O-N 3.25Å; F934-Y936 PolarHBondContact O-N 3.03Å; F934-L937 PolarHBondContact O-N 3.23Å; F934-A938 VanDerWaalsContact O-CB 3.31Å; F934-A938 WeakPolarHBondContact O-CB 3.35Å; F934-A938 PolarHBondContact O-N 3.42Å; F934-F985 HydrophobicContact CD2-CE2 4.44Å; F934-F985 AromaticContact CE2-CD2 3.74Å; F934-F985 HydrophobicContact CE2-CD2 3.74Å; F934-F985 AromaticContact CE2-CE2 3.55Å; F934-F985 HydrophobicContact CE2-CE2 3.55Å; F934-F985 AromaticContact CZ-CD2 3.82Å; F934-F985 HydrophobicContact CZ-CD2 3.82Å; F934-F985 AromaticContact CZ-CE2 3.71Å; F934-F985 HydrophobicContact CZ-CE2 3.71Å; F934-F988 HydrophobicContact CE1-CB 4.37Å; F934-F988 AromaticContact CE1-CD1 3.88Å; F934-F988 HydrophobicContact CE1-CD1 3.88Å; F934-F988 HydrophobicContact CE1-CD2 4.1Å; F934-F988 HydrophobicContact CE1-CE1 4.16Å; F934-F988 HydrophobicContact CE1-CE2 4.36Å; F934-F988 AromaticContact CE1-CG 3.84Å; F934-F988 HydrophobicContact CE1-CG 3.84Å; F934-F988 HydrophobicContact CE1-CZ 4.38Å; F934-F988 HydrophobicContact CZ-CB 4.31Å; F934-F988 HydrophobicContact CZ-CD1 4.29Å; F934-F988 AromaticContact CZ-CD2 3.66Å; F934-F988 HydrophobicContact CZ-CD2 3.66Å; F934-F988 AromaticContact CZ-CE2 3.98Å; F934-F988 HydrophobicContact CZ-CE2 3.98Å; F934-F988 AromaticContact CZ-CG 3.81Å; F934-F988 HydrophobicContact CZ-CG 3.81Å; F934-F988 HydrophobicContact CZ-CZ 4.43Å
935N95.3Very high93.2Very high72 Ų7237 Ų3739%0.38519%0.192SC..Hα-helixtrans-64.8-39.3-178.8-72.4-28.5000112.3K931 N932 A939K931-N935 WeakPolarHBondContact O-CB 3.46Å; K931-N935 PolarHBondContact O-N 3.38Å; K931-N935 PolarHBondContact O-ND2 3.27Å; K931-N935 VanDerWaalsContact O-ND2 3.13Å; N932-N935 PolarHBondContact O-N 3.3Å; N935-A939 WeakPolarHBondContact O-CB 3.48Å; N935-A939 PolarHBondContact O-N 2.76Å
936Y96.1Very high93Very high63 Ų6338.6 Ų38.625%0.24720%0.196CC..Hα-helixtrans-64.7-47.7177.7-179.1-115.6000111.6I831 L835 W836 V839 N932 V933 F934 A939 F940I831-Y936 HydrophobicContact CD1-CD1 3.59Å; I831-Y936 HydrophobicContact CD1-CD2 4.1Å; I831-Y936 HydrophobicContact CD1-CE1 3.64Å; I831-Y936 HydrophobicContact CD1-CE2 4.17Å; I831-Y936 HydrophobicContact CD1-CG 3.83Å; L835-Y936 HydrophobicContact CD2-CD1 4.31Å; W836-Y936 AromaticContact CD1-CZ 3.97Å; W836-Y936 VanDerWaalsContact CD1-OH 3.28Å; V839-Y936 HydrophobicContact CB-CE1 3.69Å; V839-Y936 HydrophobicContact CG1-CE1 3.62Å; V839-Y936 WeakPolarHBondContact CG1-OH 3.5Å; V839-Y936 HydrophobicContact CG2-CE1 3.97Å; N932-Y936 VanDerWaalsContact O-CB 3.25Å; N932-Y936 WeakPolarHBondContact O-CB 3.33Å; N932-Y936 PolarHBondContact O-N 3.09Å; V933-Y936 PolarHBondContact O-N 2.88Å; F934-Y936 PolarHBondContact O-N 3.03Å; Y936-A939 PolarHBondContact O-N 3.39Å; Y936-F940 PolarHBondContact O-N 3.35Å
937L96Very high92.5Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-63.6-44.7175.4-72.1168.5000111.9L835 V839 L893 V933 F934 A939 F940 L941 L966L835-L937 HydrophobicContact CD1-CD2 4.33Å; V839-L937 HydrophobicContact CG2-CD2 4.09Å; L893-L937 HydrophobicContact CD1-CD1 4.15Å; L893-L937 HydrophobicContact CD2-CD1 3.73Å; V933-L937 HydrophobicContact CG1-CD1 3.83Å; V933-L937 WeakPolarHBondContact O-CB 3.36Å; V933-L937 WeakPolarHBondContact O-CG 3.32Å; V933-L937 PolarHBondContact O-N 2.85Å; F934-L937 PolarHBondContact O-N 3.23Å; L937-A939 VanDerWaalsContact C-N 3.31Å; L937-A939 PolarHBondContact O-N 2.76Å; L937-F940 PolarHBondContact O-N 3.18Å; L937-L941 WeakPolarHBondContact O-CB 3.43Å; L937-L941 VanDerWaalsContact O-CG 3.3Å; L937-L941 WeakPolarHBondContact O-CG 3.47Å; L937-L941 PolarHBondContact O-N 3.47Å; L937-L966 HydrophobicContact CD1-CD2 3.88Å
938A94.1Very high92.1Very high1 Ų140.1 Ų40.11%0.00821%0.206CC..Hα-helixtrans-62-37.9177.300000112.1F934 R942 F988F934-A938 VanDerWaalsContact O-CB 3.31Å; F934-A938 WeakPolarHBondContact O-CB 3.35Å; F934-A938 PolarHBondContact O-N 3.42Å; A938-R942 WeakPolarHBondContact O-CB 3.35Å; A938-R942 WeakPolarHBondContact O-CG 3.43Å; A938-R942 PolarHBondContact O-N 3.21Å; A938-R942 PolarHBondContact O-NH1 2.81Å; A938-F988 HydrophobicContact CB-CB 4.41Å
939A93.2Very high91.6Very high43 Ų4340.4 Ų40.436%0.35522%0.216SC..Hα-helixtrans-66.1-45.3174.300000112.5N935 Y936 L937 R942 E943N935-A939 WeakPolarHBondContact O-CB 3.48Å; N935-A939 PolarHBondContact O-N 2.76Å; Y936-A939 PolarHBondContact O-N 3.39Å; L937-A939 VanDerWaalsContact C-N 3.31Å; L937-A939 PolarHBondContact O-N 2.76Å; A939-R942 PolarHBondContact O-N 3.07Å; A939-E943 PolarHBondContact O-N 3.47Å
940F93.1Very high90.9Very high8 Ų842.3 Ų42.34%0.03523%0.227CC..Hα-helixtrans-59.9-45.9175.8166.6-116.4000112.6V839 L842 F843 F854 L889 Y936 L937 R942 E943 L944V839-F940 HydrophobicContact CG1-CB 3.83Å; V839-F940 HydrophobicContact CG1-CD1 3.91Å; V839-F940 HydrophobicContact CG1-CD2 3.64Å; V839-F940 HydrophobicContact CG1-CE1 4.36Å; V839-F940 HydrophobicContact CG1-CE2 4.12Å; V839-F940 HydrophobicContact CG1-CG 3.52Å; V839-F940 HydrophobicContact CG1-CZ 4.45Å; V839-F940 HydrophobicContact CG2-CD1 4.4Å; L842-F940 HydrophobicContact CB-CE2 4.06Å; L842-F940 HydrophobicContact CB-CZ 3.67Å; L842-F940 HydrophobicContact CD1-CZ 4.11Å; F843-F940 HydrophobicContact CB-CE2 4.37Å; F843-F940 HydrophobicContact CD2-CD2 4.3Å; F854-F940 HydrophobicContact CE2-CE1 4.38Å; F854-F940 HydrophobicContact CZ-CE1 4.13Å; L889-F940 HydrophobicContact CD2-CE1 4.34Å; Y936-F940 PolarHBondContact O-N 3.35Å; L937-F940 PolarHBondContact O-N 3.18Å; F940-R942 VanDerWaalsContact C-N 3.34Å; F940-R942 PolarHBondContact O-N 3.11Å; F940-E943 WeakPolarHBondContact O-CB 3.49Å; F940-E943 PolarHBondContact O-N 3.46Å; F940-E943 VanDerWaalsContact O-N 3.1Å; F940-L944 HydrophobicContact CD1-CD1 4.44Å; F940-L944 HydrophobicContact CE1-CD1 3.84Å; F940-L944 HydrophobicContact CE2-CD1 4.01Å; F940-L944 HydrophobicContact CE2-CG 4.18Å; F940-L944 HydrophobicContact CZ-CD1 3.6Å; F940-L944 HydrophobicContact CZ-CG 4.27Å; F940-L944 PolarHBondContact O-N 3.38Å; F940-L944 VanDerWaalsContact O-N 3.11Å
941L92.7Very high90.1Very high0 Ų041.7 Ų41.70%023%0.225CC..Hα-helixtrans-65.7-35.6177.7-65.9-178.8000112.2F854 L937 E943 L944 L945 L958 F962 F985 L989F854-L941 HydrophobicContact CE2-CD2 4.46Å; L937-L941 WeakPolarHBondContact O-CB 3.43Å; L937-L941 VanDerWaalsContact O-CG 3.3Å; L937-L941 WeakPolarHBondContact O-CG 3.47Å; L937-L941 PolarHBondContact O-N 3.47Å; L941-E943 VanDerWaalsContact C-N 3.33Å; L941-L944 HydrophobicContact CD2-CD1 4.18Å; L941-L944 PolarHBondContact O-N 3.47Å; L941-L945 WeakPolarHBondContact O-CG 3.34Å; L941-L945 PolarHBondContact O-N 3.34Å; L941-L945 VanDerWaalsContact O-N 3.12Å; L941-L958 HydrophobicContact CB-CD1 4.28Å; L941-L958 HydrophobicContact CD2-CD1 4.27Å; L941-L958 HydrophobicContact CD2-CD2 4.13Å; L941-F962 HydrophobicContact CD1-CB 4.23Å; L941-F962 HydrophobicContact CD1-CD1 4Å; L941-F962 HydrophobicContact CD1-CD2 3.8Å; L941-F962 HydrophobicContact CD1-CE1 4.3Å; L941-F962 HydrophobicContact CD1-CE2 4.13Å; L941-F962 HydrophobicContact CD1-CG 3.73Å; L941-F962 HydrophobicContact CD1-CZ 4.37Å; L941-F962 HydrophobicContact CD2-CD2 4.24Å; L941-F962 HydrophobicContact CD2-CE1 4.46Å; L941-F962 HydrophobicContact CD2-CE2 3.75Å; L941-F962 HydrophobicContact CD2-CZ 3.87Å; L941-F985 HydrophobicContact CD1-CE1 3.85Å; L941-F985 HydrophobicContact CD1-CZ 3.94Å; L941-L989 HydrophobicContact CB-CD2 3.63Å; L941-L989 HydrophobicContact CD1-CD2 4.14Å
942R91.5Very high89.5Confident77 Ų7746.2 Ų46.229%0.29124%0.24SC..Hα-helixtrans-64.7-33.1170.5-75.6-169.3-54.7-87.80.2112.8A938 A939 F940 L945 K946 F988A938-R942 WeakPolarHBondContact O-CB 3.35Å; A938-R942 WeakPolarHBondContact O-CG 3.43Å; A938-R942 PolarHBondContact O-N 3.21Å; A938-R942 PolarHBondContact O-NH1 2.81Å; A939-R942 PolarHBondContact O-N 3.07Å; F940-R942 VanDerWaalsContact C-N 3.34Å; F940-R942 PolarHBondContact O-N 3.11Å; R942-L945 PolarHBondContact O-N 3.04Å; R942-K946 PolarHBondContact O-N 2.97Å; R942-F988 WeakPolarHBondContact CD-O 3.13Å; R942-F988 PolarHBondContact NH1-O 3.26Å
943E89.9Confident89.1Confident62 Ų6243.8 Ų43.829%0.2923%0.227SC..Hα-helixtrans-66.6-44.7174.3-156.769-145.900111.5F843 A939 F940 L941 L945 K946F843-E943 HydrophobicContact CE2-CB 4.28Å; F843-E943 HydrophobicContact CE2-CG 3.79Å; F843-E943 HydrophobicContact CZ-CG 4.41Å; A939-E943 PolarHBondContact O-N 3.47Å; F940-E943 WeakPolarHBondContact O-CB 3.49Å; F940-E943 PolarHBondContact O-N 3.46Å; F940-E943 VanDerWaalsContact O-N 3.1Å; L941-E943 VanDerWaalsContact C-N 3.33Å; E943-L945 VanDerWaalsContact C-N 3.28Å; E943-L945 PolarHBondContact O-N 3.29Å; E943-K946 WeakPolarHBondContact O-CB 3.43Å; E943-K946 PolarHBondContact O-N 3.15Å; E943-K946 VanDerWaalsContact O-N 3.16Å; E943-K946 VanDerWaalsContact OE1-CD 3.23Å; E943-K946 WeakPolarHBondContact OE1-CD 3.44Å; E943-K946 IonicContact OE1-NZ 2.81Å; E943-K946 PolarHBondContact OE1-NZ 3.12Å; E943-K946 IonicContact OE2-NZ 3.77Å; E943-K946 PolarHBondContact OE2-NZ 3.45Å
944L88.1Confident88.7Confident1 Ų149.8 Ų49.81%0.00526%0.255CS..Hα-helixtrans-59.4-38.3176.3-73.4172.7000112.5V847 F854 F940 L941 K946 N947 S948 N951 L953V847-L944 HydrophobicContact CG2-CD2 3.78Å; F854-L944 HydrophobicContact CE2-CD1 3.78Å; F940-L944 HydrophobicContact CD1-CD1 4.44Å; F940-L944 HydrophobicContact CE1-CD1 3.84Å; F940-L944 HydrophobicContact CE2-CD1 4.01Å; F940-L944 HydrophobicContact CE2-CG 4.18Å; F940-L944 HydrophobicContact CZ-CD1 3.6Å; F940-L944 HydrophobicContact CZ-CG 4.27Å; F940-L944 PolarHBondContact O-N 3.38Å; F940-L944 VanDerWaalsContact O-N 3.11Å; L941-L944 HydrophobicContact CD2-CD1 4.18Å; L941-L944 PolarHBondContact O-N 3.47Å; L944-K946 VanDerWaalsContact C-N 3.3Å; L944-K946 PolarHBondContact O-N 3.3Å; L944-N947 CarbonylContact O-C 3.12Å; L944-N947 PolarHBondContact O-N 3.32Å; L944-N947 VanDerWaalsContact O-N 3.12Å; L944-S948 PolarHBondContact O-N 2.91Å; L944-N951 PolarHBondContact O-ND2 3.47Å; L944-L953 HydrophobicContact CB-CD1 3.82Å; L944-L953 HydrophobicContact CD1-CD1 4.13Å; L944-L953 HydrophobicContact CG-CD1 4.41Å
945L88.4Confident88.5Confident25 Ų2551.7 Ų51.713%0.13127%0.266CS..Hα-helixtrans-65.6-26.8177.9-75166.9000113.7L941 R942 E943 N947 S948 L953 V955 L958 L989L941-L945 WeakPolarHBondContact O-CG 3.34Å; L941-L945 PolarHBondContact O-N 3.34Å; L941-L945 VanDerWaalsContact O-N 3.12Å; R942-L945 PolarHBondContact O-N 3.04Å; E943-L945 VanDerWaalsContact C-N 3.28Å; E943-L945 PolarHBondContact O-N 3.29Å; L945-N947 PolarHBondContact O-N 3.21Å; L945-S948 WeakPolarHBondContact O-CB 3.21Å; L945-S948 PolarHBondContact O-N 3.31Å; L945-S948 VanDerWaalsContact O-N 3.17Å; L945-S948 PolarHBondContact O-OG 3.5Å; L945-L953 HydrophobicContact CD2-CB 4.49Å; L945-V955 HydrophobicContact CD1-CG2 4Å; L945-V955 HydrophobicContact CD2-CG2 4.12Å; L945-L958 HydrophobicContact CD1-CD1 4.1Å; L945-L958 HydrophobicContact CD2-CD1 3.89Å; L945-L958 HydrophobicContact CG-CD1 3.76Å; L945-L989 HydrophobicContact CD1-CB 4.04Å; L945-L989 HydrophobicContact CD1-CD2 4.3Å
946K87.8Confident88.2Confident136 Ų13652.5 Ų52.559%0.59127%0.271SS*.Hα-helixtrans-61-30.5172.3-65.2169.2-179.7174.10112.2R942 E943 L944R942-K946 PolarHBondContact O-N 2.97Å; E943-K946 WeakPolarHBondContact O-CB 3.43Å; E943-K946 PolarHBondContact O-N 3.15Å; E943-K946 VanDerWaalsContact O-N 3.16Å; E943-K946 VanDerWaalsContact OE1-CD 3.23Å; E943-K946 WeakPolarHBondContact OE1-CD 3.44Å; E943-K946 IonicContact OE1-NZ 2.81Å; E943-K946 PolarHBondContact OE1-NZ 3.12Å; E943-K946 IonicContact OE2-NZ 3.77Å; E943-K946 PolarHBondContact OE2-NZ 3.45Å; L944-K946 VanDerWaalsContact C-N 3.3Å; L944-K946 PolarHBondContact O-N 3.3Å
947N84.1Confident87.9Confident42 Ų4251.7 Ų51.723%0.22527%0.27CS..THydrogen-bonded Turntrans-101.318.3179.1-73.8-12.4000113.5V847 L944 L945 A949 N950 N951V847-N947 WeakPolarHBondContact CG1-ND2 3.08Å; V847-N947 PolarHBondContact O-ND2 3.24Å; L944-N947 CarbonylContact O-C 3.12Å; L944-N947 PolarHBondContact O-N 3.32Å; L944-N947 VanDerWaalsContact O-N 3.12Å; L945-N947 PolarHBondContact O-N 3.21Å; N947-A949 PolarHBondContact O-N 2.92Å; N947-A949 VanDerWaalsContact O-N 3.08Å; N947-N950 PolarHBondContact O-N 2.88Å; N947-N951 PolarHBondContact O-N 3.41Å; N947-N951 VanDerWaalsContact O-N 3.1Å; N947-N951 PolarHBondContact O-OD1 2.59Å
948S82.7Confident87.6Confident52 Ų5251.7 Ų51.736%0.36427%0.27SS..Hα-helixtrans-42.9-40.3174.144.80000114.3L944 L945 N950 N951 R952 L953L944-S948 PolarHBondContact O-N 2.91Å; L945-S948 WeakPolarHBondContact O-CB 3.21Å; L945-S948 PolarHBondContact O-N 3.31Å; L945-S948 VanDerWaalsContact O-N 3.17Å; L945-S948 PolarHBondContact O-OG 3.5Å; S948-N950 PolarHBondContact O-N 3.32Å; S948-N950 VanDerWaalsContact O-N 3.16Å; S948-N951 VanDerWaalsContact CA-OD1 3.25Å; S948-N951 WeakPolarHBondContact CA-OD1 3.23Å; S948-R952 VanDerWaalsContact O-CA 3.32Å; S948-R952 WeakPolarHBondContact O-CA 3.34Å; S948-R952 PolarHBondContact O-N 3.48Å; S948-L953 WeakPolarHBondContact CB-O 3.5Å
949A78.6Confident87.5Confident98 Ų9851.6 Ų51.681%0.8127%0.27SS*.Hα-helixtrans-63.7-16.4177.300000115.1N947N947-A949 PolarHBondContact O-N 2.92Å; N947-A949 VanDerWaalsContact O-N 3.08Å
950N78.6Confident87.5Confident73 Ų7353 Ų5339%0.3927%0.274SS..Hα-helixtrans-109.4-41177.9-74.7-49.5000113.1K850 N947 S948K850-N950 VanDerWaalsContact CE-OD1 3.28Å; K850-N950 WeakPolarHBondContact CE-OD1 3.36Å; K850-N950 HydrophobicContact CG-CB 4.31Å; N947-N950 PolarHBondContact O-N 2.88Å; S948-N950 PolarHBondContact O-N 3.32Å; S948-N950 VanDerWaalsContact O-N 3.16Å
951N79Confident87.4Confident1 Ų154.4 Ų54.41%0.00528%0.281CS..Hα-helixtrans-98-1-175.565.222.6000114.3L944 N947 S948 L953L944-N951 PolarHBondContact O-ND2 3.47Å; N947-N951 PolarHBondContact O-N 3.41Å; N947-N951 VanDerWaalsContact O-N 3.1Å; N947-N951 PolarHBondContact O-OD1 2.59Å; S948-N951 VanDerWaalsContact CA-OD1 3.25Å; S948-N951 WeakPolarHBondContact CA-OD1 3.23Å; N951-L953 PolarHBondContact O-N 2.97Å; N951-L953 VanDerWaalsContact O-N 3.16Å; N951-L953 WeakPolarHBondContact OD1-CB 3.42Å; N951-L953 PolarHBondContact OD1-N 3.13Å
952R82.8Confident87.5Confident161 Ų16154.4 Ų54.461%0.60828%0.281SS*.  trans55.526.1-179.7-49.8-172-173.4123.9-6.8114.9D852 Q855 S948D852-R952 VanDerWaalsContact CG-NH1 3.28Å; D852-R952 WeakPolarHBondContact OD1-CD 3.37Å; D852-R952 IonicContact OD1-CZ 3.25Å; D852-R952 IonicContact OD1-NE 2.72Å; D852-R952 IonicContact OD1-NH1 2.84Å; D852-R952 PolarHBondContact OD1-NH1 2.91Å; D852-R952 IonicContact OD2-NH1 3.57Å; D852-R952 PolarHBondContact OD2-NH1 3.47Å; D852-R952 VanDerWaalsContact OD2-NH1 3.11Å; Q855-R952 PolarHBondContact NE2-O 3.16Å; Q855-R952 VanDerWaalsContact NE2-O 3.11Å; S948-R952 VanDerWaalsContact O-CA 3.32Å; S948-R952 WeakPolarHBondContact O-CA 3.34Å; S948-R952 PolarHBondContact O-N 3.48Å
953L86.6Confident87.5Confident1 Ų150.8 Ų50.81%0.00527%0.268CS..  trans-83.4124.5173.1-71.3175.3000111.1I853 L944 L945 S948 N951 L958I853-L953 HydrophobicContact CG2-CD1 3.72Å; I853-L953 HydrophobicContact CG2-CG 4.27Å; I853-L953 WeakPolarHBondContact O-CD2 3.47Å; L944-L953 HydrophobicContact CB-CD1 3.82Å; L944-L953 HydrophobicContact CD1-CD1 4.13Å; L944-L953 HydrophobicContact CG-CD1 4.41Å; L945-L953 HydrophobicContact CD2-CB 4.49Å; S948-L953 WeakPolarHBondContact CB-O 3.5Å; N951-L953 PolarHBondContact O-N 2.97Å; N951-L953 VanDerWaalsContact O-N 3.16Å; N951-L953 WeakPolarHBondContact OD1-CB 3.42Å; N951-L953 PolarHBondContact OD1-N 3.13Å; L953-L958 HydrophobicContact CB-CD1 4.43Å; L953-L958 HydrophobicContact CD1-CD1 4.36Å; L953-L958 HydrophobicContact CD1-CD2 4.26Å; L953-L958 HydrophobicContact CD2-CD2 3.8Å; L953-L958 HydrophobicContact CD2-CG 4.2Å
954E88.8Confident87.5Confident130 Ų13050.6 Ų50.661%0.60727%0.273SS*.  trans-110156170.2-63.2-175.1172.900110.4D956 I957 L958E954-D956 PolarHBondContact O-N 2.92Å; E954-I957 HydrophobicContact CB-CD1 4.14Å; E954-I957 HydrophobicContact CB-CG1 4.24Å; E954-I957 HydrophobicContact CG-CD1 4.49Å; E954-I957 PolarHBondContact O-N 3.38Å; E954-I957 VanDerWaalsContact O-N 3.16Å; E954-L958 PolarHBondContact O-N 2.88Å
955V90.6Very high87.8Confident39 Ų3951.5 Ų51.524%0.23628%0.278CS..Hα-helixtrans-53.8-42.6-179.6170.60000111.4L945 I957 L958 A959 Q986 L989 T990L945-V955 HydrophobicContact CD1-CG2 4Å; L945-V955 HydrophobicContact CD2-CG2 4.12Å; V955-I957 VanDerWaalsContact C-N 3.35Å; V955-I957 PolarHBondContact O-N 2.73Å; V955-L958 PolarHBondContact O-N 2.85Å; V955-A959 WeakPolarHBondContact O-CB 3.25Å; V955-A959 PolarHBondContact O-N 3.09Å; V955-Q986 HydrophobicContact CG1-CB 4.47Å; V955-Q986 HydrophobicContact CG1-CG 4.06Å; V955-L989 HydrophobicContact CG1-CB 4.14Å; V955-L989 HydrophobicContact CG1-CD1 4.35Å; V955-T990 HydrophobicContact CG1-CG2 3.87Å; V955-T990 HydrophobicContact CG2-CG2 4.1Å
956D89.6Confident88Confident90 Ų9050.3 Ų50.348%0.48127%0.272SS..Hα-helixtrans-71-29.7-175.9-69.5-2.4000112.9E954 T960 Q986E954-D956 PolarHBondContact O-N 2.92Å; D956-T960 WeakPolarHBondContact O-CB 3.4Å; D956-T960 PolarHBondContact O-N 3.08Å; D956-T960 PolarHBondContact O-OG1 3.1Å; D956-Q986 PolarHBondContact OD1-NE2 2.96Å
957I89.6Confident88.3Confident45 Ų4544 Ų4423%0.23124%0.244CC..Hα-helixtrans-68.3-52.7174.8-58.7175.3000109.1Q855 E954 V955 A959 T960 I961Q855-I957 HydrophobicContact CG-CG2 4.07Å; E954-I957 HydrophobicContact CB-CD1 4.14Å; E954-I957 HydrophobicContact CB-CG1 4.24Å; E954-I957 HydrophobicContact CG-CD1 4.49Å; E954-I957 PolarHBondContact O-N 3.38Å; E954-I957 VanDerWaalsContact O-N 3.16Å; V955-I957 VanDerWaalsContact C-N 3.35Å; V955-I957 PolarHBondContact O-N 2.73Å; I957-A959 PolarHBondContact O-N 3.06Å; I957-T960 PolarHBondContact O-N 2.89Å; I957-I961 HydrophobicContact CG2-CD1 3.97Å; I957-I961 WeakPolarHBondContact O-CG1 3.13Å; I957-I961 PolarHBondContact O-N 3.49Å
958L90.9Very high88.6Confident0 Ų043.6 Ų43.60%024%0.24CC..Hα-helixtrans-64.6-39179-68.4-179.3000112.1F854 L941 L945 L953 E954 V955 I961 F962 L989F854-L958 HydrophobicContact CD2-CD2 4.23Å; L941-L958 HydrophobicContact CB-CD1 4.28Å; L941-L958 HydrophobicContact CD2-CD1 4.27Å; L941-L958 HydrophobicContact CD2-CD2 4.13Å; L945-L958 HydrophobicContact CD1-CD1 4.1Å; L945-L958 HydrophobicContact CD2-CD1 3.89Å; L945-L958 HydrophobicContact CG-CD1 3.76Å; L953-L958 HydrophobicContact CB-CD1 4.43Å; L953-L958 HydrophobicContact CD1-CD1 4.36Å; L953-L958 HydrophobicContact CD1-CD2 4.26Å; L953-L958 HydrophobicContact CD2-CD2 3.8Å; L953-L958 HydrophobicContact CD2-CG 4.2Å; E954-L958 PolarHBondContact O-N 2.88Å; V955-L958 PolarHBondContact O-N 2.85Å; L958-I961 PolarHBondContact O-N 2.99Å; L958-F962 HydrophobicContact CD2-CD2 4.3Å; L958-F962 HydrophobicContact CD2-CE2 4.08Å; L958-F962 WeakPolarHBondContact O-CB 3.48Å; L958-F962 PolarHBondContact O-N 3.34Å; L958-L989 HydrophobicContact CB-CD1 3.9Å
959A92.1Very high88.8Confident0 Ų042.5 Ų42.50%023%0.232CC..Hα-helixtrans-63.3-43.8174.200000112V955 I957 I961 A963 Q986 L989V955-A959 WeakPolarHBondContact O-CB 3.25Å; V955-A959 PolarHBondContact O-N 3.09Å; I957-A959 PolarHBondContact O-N 3.06Å; A959-I961 PolarHBondContact O-N 2.75Å; A959-A963 WeakPolarHBondContact O-CB 3.32Å; A959-A963 PolarHBondContact O-N 3.29Å; A959-Q986 HydrophobicContact CB-CG 3.63Å; A959-L989 HydrophobicContact CB-CD1 4.23Å
960T91.2Very high88.9Confident73 Ų7343 Ų4345%0.44823%0.225SC..Hα-helixtrans-60.7-43.8177.7-65.80000112.2D956 I957 Q982D956-T960 WeakPolarHBondContact O-CB 3.4Å; D956-T960 PolarHBondContact O-N 3.08Å; D956-T960 PolarHBondContact O-OG1 3.1Å; I957-T960 PolarHBondContact O-N 2.89Å; T960-Q982 PolarHBondContact OG1-NE2 3.07Å
961I91.6Very high89.1Confident37 Ų3747.6 Ų47.619%0.1924%0.242CC..Hα-helixtrans-71-64.1179.2-64.2167.3000110F854 L890 I957 L958 A959 A963 S964F854-I961 HydrophobicContact CB-CD1 4.08Å; F854-I961 WeakPolarHBondContact O-CD1 3.45Å; L890-I961 HydrophobicContact CD1-CG2 4Å; L890-I961 HydrophobicContact CD2-CG2 3.59Å; L890-I961 HydrophobicContact CG-CG2 4.47Å; I957-I961 HydrophobicContact CG2-CD1 3.97Å; I957-I961 WeakPolarHBondContact O-CG1 3.13Å; I957-I961 PolarHBondContact O-N 3.49Å; L958-I961 PolarHBondContact O-N 2.99Å; A959-I961 PolarHBondContact O-N 2.75Å; I961-A963 PolarHBondContact O-N 3.19Å; I961-S964 PolarHBondContact O-N 2.99Å; I961-S964 PolarHBondContact O-OG 3.32Å
962F94.8Very high89.2Confident0 Ų057.7 Ų57.70%029%0.286CS..Hα-helixtrans-73.9-32.3-166.4-77.8-93.7000113.8F854 L890 L893 L941 L958 S964 L965 L966 F985F854-F962 HydrophobicContact CD1-CE2 4.15Å; F854-F962 HydrophobicContact CD1-CZ 4.05Å; F854-F962 HydrophobicContact CD2-CE2 4.35Å; F854-F962 HydrophobicContact CE1-CE2 4.23Å; F854-F962 AromaticContact CE1-CZ 3.7Å; F854-F962 HydrophobicContact CE1-CZ 3.7Å; F854-F962 HydrophobicContact CE2-CE2 4.42Å; F854-F962 HydrophobicContact CE2-CZ 4.32Å; F854-F962 HydrophobicContact CG-CE2 4.23Å; F854-F962 HydrophobicContact CZ-CE2 4.37Å; F854-F962 AromaticContact CZ-CZ 3.86Å; F854-F962 HydrophobicContact CZ-CZ 3.86Å; L890-F962 HydrophobicContact CD2-CD1 4.47Å; L890-F962 HydrophobicContact CD2-CE1 3.88Å; L890-F962 HydrophobicContact CD2-CE2 3.97Å; L890-F962 HydrophobicContact CD2-CZ 3.6Å; L893-F962 HydrophobicContact CD1-CD1 4.02Å; L893-F962 HydrophobicContact CD1-CE1 3.79Å; L941-F962 HydrophobicContact CD1-CB 4.23Å; L941-F962 HydrophobicContact CD1-CD1 4Å; L941-F962 HydrophobicContact CD1-CD2 3.8Å; L941-F962 HydrophobicContact CD1-CE1 4.3Å; L941-F962 HydrophobicContact CD1-CE2 4.13Å; L941-F962 HydrophobicContact CD1-CG 3.73Å; L941-F962 HydrophobicContact CD1-CZ 4.37Å; L941-F962 HydrophobicContact CD2-CD2 4.24Å; L941-F962 HydrophobicContact CD2-CE1 4.46Å; L941-F962 HydrophobicContact CD2-CE2 3.75Å; L941-F962 HydrophobicContact CD2-CZ 3.87Å; L958-F962 HydrophobicContact CD2-CD2 4.3Å; L958-F962 HydrophobicContact CD2-CE2 4.08Å; L958-F962 WeakPolarHBondContact O-CB 3.48Å; L958-F962 PolarHBondContact O-N 3.34Å; F962-S964 PolarHBondContact O-N 2.97Å; F962-L965 PolarHBondContact O-N 3Å; F962-L966 HydrophobicContact CB-CD1 4.04Å; F962-L966 HydrophobicContact CB-CG 4.45Å; F962-L966 HydrophobicContact CD1-CD1 4.43Å; F962-L966 WeakPolarHBondContact O-CB 3.47Å; F962-L966 VanDerWaalsContact O-CG 3.28Å; F962-L966 WeakPolarHBondContact O-CG 3.37Å; F962-L966 PolarHBondContact O-N 2.88Å; F962-F985 HydrophobicContact CB-CD1 4.24Å; F962-F985 HydrophobicContact CB-CE1 3.67Å; F962-F985 HydrophobicContact CB-CZ 4.3Å
963A92.4Very high89.1Confident1 Ų152 Ų521%0.00827%0.266CS..Hα-helixtrans-61-33.9176.300000112A959 I961 L965 L967 T981 Q982 F985A959-A963 WeakPolarHBondContact O-CB 3.32Å; A959-A963 PolarHBondContact O-N 3.29Å; I961-A963 PolarHBondContact O-N 3.19Å; A963-L965 PolarHBondContact O-N 3.14Å; A963-L967 WeakPolarHBondContact O-CB 3.37Å; A963-L967 PolarHBondContact O-N 2.98Å; A963-L967 VanDerWaalsContact O-N 3.13Å; A963-T981 WeakPolarHBondContact CB-O 3.37Å; A963-Q982 HydrophobicContact CB-CG 4.49Å; A963-F985 HydrophobicContact CB-CB 3.98Å
964S89.9Confident89Confident58 Ų5856.3 Ų56.341%0.40629%0.289SS..Hα-helixtrans-68.8-20.5177.5790000114I961 F962 R968I961-S964 PolarHBondContact O-N 2.99Å; I961-S964 PolarHBondContact O-OG 3.32Å; F962-S964 PolarHBondContact O-N 2.97Å; S964-R968 WeakPolarHBondContact O-CG 3.15Å
965L93.1Very high88.8Confident19 Ų1957.3 Ų57.310%0.09930%0.298CS..Hα-helixtrans-100.5-41.1180-56-174000112.3L890 L893 D894 F962 A963 R968L890-L965 HydrophobicContact CB-CD1 3.9Å; L890-L965 HydrophobicContact CD2-CD1 3.6Å; L890-L965 HydrophobicContact CG-CD1 4.3Å; L893-L965 HydrophobicContact CB-CB 4.29Å; L893-L965 HydrophobicContact CB-CD1 4.43Å; D894-L965 HydrophobicContact CB-CD2 3.95Å; F962-L965 PolarHBondContact O-N 3Å; A963-L965 PolarHBondContact O-N 3.14Å; L965-R968 WeakPolarHBondContact O-CG 3.14Å; L965-R968 PolarHBondContact O-NH1 3.37Å
966L94.2Very high88.6Confident1 Ų158.4 Ų58.41%0.00531%0.311CS..Hα-helixtrans-79.3-27.9-176.3-59.6175.8000112.8L893 V900 I901 L937 F962 F985L893-L966 HydrophobicContact CD1-CD2 4.2Å; L893-L966 HydrophobicContact CD2-CD2 4.22Å; V900-L966 HydrophobicContact CB-CB 4.44Å; V900-L966 HydrophobicContact CB-CD2 3.66Å; V900-L966 HydrophobicContact CG1-CD2 4.08Å; V900-L966 HydrophobicContact CG2-CD2 3.51Å; I901-L966 WeakPolarHBondContact CB-O 3.38Å; I901-L966 PolarHBondContact N-O 3.16Å; L937-L966 HydrophobicContact CD1-CD2 3.88Å; F962-L966 HydrophobicContact CB-CD1 4.04Å; F962-L966 HydrophobicContact CB-CG 4.45Å; F962-L966 HydrophobicContact CD1-CD1 4.43Å; F962-L966 WeakPolarHBondContact O-CB 3.47Å; F962-L966 VanDerWaalsContact O-CG 3.28Å; F962-L966 WeakPolarHBondContact O-CG 3.37Å; F962-L966 PolarHBondContact O-N 2.88Å; L966-F985 HydrophobicContact CD1-CD2 4.2Å; L966-F985 HydrophobicContact CD1-CE1 4.15Å; L966-F985 HydrophobicContact CD1-CE2 3.49Å; L966-F985 VanDerWaalsContact CD1-CE2 3.49Å; L966-F985 HydrophobicContact CD1-CZ 3.46Å; L966-F985 VanDerWaalsContact CD1-CZ 3.46Å
967L92.7Very high88.5Confident3 Ų356.8 Ų56.82%0.01630%0.301CS..SBendtrans-127.669.4-174.6-172.757.3000110.5I901 Y906 C909 A963 T981 F984I901-L967 HydrophobicContact CB-CD1 3.97Å; I901-L967 HydrophobicContact CD1-CB 4.34Å; I901-L967 HydrophobicContact CD1-CD1 4.1Å; I901-L967 HydrophobicContact CG2-CD1 3.74Å; Y906-L967 HydrophobicContact CD2-CD1 3.79Å; Y906-L967 HydrophobicContact CD2-CG 3.93Å; Y906-L967 HydrophobicContact CE2-CG 4.21Å; C909-L967 HydrophobicContact CB-CD1 3.89Å; C909-L967 HydrophobicContact CB-CD2 3.7Å; C909-L967 HydrophobicContact CB-CG 4.46Å; A963-L967 WeakPolarHBondContact O-CB 3.37Å; A963-L967 PolarHBondContact O-N 2.98Å; A963-L967 VanDerWaalsContact O-N 3.13Å; L967-T981 HydrophobicContact CB-CG2 4.47Å; L967-T981 HydrophobicContact CD2-CG2 3.68Å; L967-T981 HydrophobicContact CG-CG2 3.9Å; L967-F984 HydrophobicContact CD2-CB 4.47Å; L967-F984 HydrophobicContact CD2-CD1 3.98Å; L967-F984 HydrophobicContact CD2-CG 4.26Å
968R91.1Very high88.5Confident33 Ų3359.3 Ų59.313%0.12531%0.31CS..  trans-81.3148.7-177.1-64-166.6-64.5-94.718.1112.5L893 L896 P899 F903 Y906 S964 L965L893-R968 PolarHBondContact O-NH1 3.08Å; L896-R968 PolarHBondContact O-NH2 3.14Å; P899-R968 HydrophobicContact CB-CB 4.28Å; P899-R968 HydrophobicContact CB-CG 4.4Å; P899-R968 HydrophobicContact CG-CB 4.29Å; F903-R968 VanDerWaalsContact CD1-O 3.3Å; F903-R968 WeakPolarHBondContact CD1-O 3.49Å; F903-R968 HydrophobicContact CE1-CB 3.87Å; Y906-R968 WeakPolarHBondContact CD2-O 3.39Å; S964-R968 WeakPolarHBondContact O-CG 3.15Å; L965-R968 WeakPolarHBondContact O-CG 3.14Å; L965-R968 PolarHBondContact O-NH1 3.37Å
969S86.7Confident88.4Confident29 Ų2965.1 Ų65.120%0.20334%0.335CS..  trans-99.5148.2169.6-172.30000111K971S969-K971 WeakPolarHBondContact CB-O 3.25Å; S969-K971 PolarHBondContact O-N 3.1Å; S969-K971 PolarHBondContact OG-N 3.48Å; S969-K971 VanDerWaalsContact OG-N 3.14Å; S969-K971 PolarHBondContact OG-O 3.44Å
970T81.5Confident88.3Confident109 Ų10969 Ų6967%0.66935%0.352SS*.SBendtrans-78.2-1.5167.755.90000112.9F903F903-T970 HydrophobicContact CB-CG2 4.37Å; F903-T970 HydrophobicContact CD1-CG2 3.61Å; F903-T970 HydrophobicContact CD2-CG2 4.27Å; F903-T970 HydrophobicContact CE1-CG2 3.8Å; F903-T970 HydrophobicContact CE2-CG2 4.45Å; F903-T970 HydrophobicContact CG-CG2 3.85Å; F903-T970 HydrophobicContact CZ-CG2 4.23Å
971K82.9Confident88.4Confident169 Ų16965.6 Ų65.674%0.73533%0.331SS*.SBendtrans-128.6164.5-180-65177.6-176.3172.10110.9S969 Q973S969-K971 WeakPolarHBondContact CB-O 3.25Å; S969-K971 PolarHBondContact O-N 3.1Å; S969-K971 PolarHBondContact OG-N 3.48Å; S969-K971 VanDerWaalsContact OG-N 3.14Å; S969-K971 PolarHBondContact OG-O 3.44Å; K971-Q973 PolarHBondContact O-N 2.81Å
972K79.3Confident88.4Confident214 Ų21466.4 Ų66.493%0.9333%0.334SS*.  trans-68.8102.6175.8-174.4178.4-178.5178.80110.2
973Q81Confident88.3Confident40 Ų4068.9 Ų68.919%0.18735%0.346CS..  trans-58.2142.1178.1-59.3175.3-49.500112.3Y906 K971 E977 K978Y906-Q973 PolarHBondContact OH-NE2 2.85Å; K971-Q973 PolarHBondContact O-N 2.81Å; Q973-E977 HydrophobicContact CB-CB 4.28Å; Q973-K978 HydrophobicContact CB-CG 3.99Å
974D85.5Confident88.3Confident92 Ų9268.9 Ų68.949%0.49235%0.346SS..  trans-85.1-179.3166.278.630000112.2A976 E977 K978D974-A976 WeakPolarHBondContact OD1-CA 3.18Å; D974-A976 WeakPolarHBondContact OD1-CB 3.32Å; D974-A976 PolarHBondContact OD1-N 2.78Å; D974-E977 PolarHBondContact OD1-N 3.39Å; D974-K978 WeakPolarHBondContact O-CG 3.5Å; D974-K978 PolarHBondContact O-N 3.5Å
975L85.1Confident88.4Confident151 Ų15166.3 Ų66.379%0.79133%0.327SS*.Hα-helixtrans-73.1-27.3-177.2-171.462.4000113.2K979L975-K979 PolarHBondContact O-N 3.21Å; L975-K979 VanDerWaalsContact O-N 3.11Å
976A85.9Confident88.4Confident62 Ų6267.9 Ų67.951%0.51233%0.334SS..Hα-helixtrans-79.2-39.3177.600000111.4D974 K979 K980D974-A976 WeakPolarHBondContact OD1-CA 3.18Å; D974-A976 WeakPolarHBondContact OD1-CB 3.32Å; D974-A976 PolarHBondContact OD1-N 2.78Å; A976-K979 PolarHBondContact O-N 3.39Å; A976-K980 WeakPolarHBondContact O-CB 3.33Å; A976-K980 WeakPolarHBondContact O-CG 3.44Å; A976-K980 PolarHBondContact O-N 2.86Å
977E87.9Confident88.2Confident57 Ų5769.9 Ų69.927%0.26634%0.343SS..Hα-helixtrans-57.5-47.9168.9-73.1-165.8-177.800111Y906 L910 Q973 D974 K979 K980 T981Y906-E977 PolarHBondContact OH-OE2 2.85Å; L910-E977 HydrophobicContact CD1-CG 4.03Å; Q973-E977 HydrophobicContact CB-CB 4.28Å; D974-E977 PolarHBondContact OD1-N 3.39Å; E977-K979 PolarHBondContact O-N 3.06Å; E977-K980 WeakPolarHBondContact O-CB 3.46Å; E977-K980 PolarHBondContact O-N 3.25Å; E977-K980 VanDerWaalsContact O-N 3.13Å; E977-T981 PolarHBondContact O-N 3.16Å
978K88.2Confident88.2Confident98 Ų9870.3 Ų70.343%0.42635%0.345SS..Hα-helixtrans-61.3-40.5178.1-74.9-177.5177.3-161.10113.2Q973 D974 K980 T981 Q982Q973-K978 HydrophobicContact CB-CG 3.99Å; D974-K978 WeakPolarHBondContact O-CG 3.5Å; D974-K978 PolarHBondContact O-N 3.5Å; K978-K980 VanDerWaalsContact C-N 3.32Å; K978-K980 PolarHBondContact O-N 3.06Å; K978-T981 PolarHBondContact O-N 3.32Å; K978-T981 PolarHBondContact O-OG1 2.86Å; K978-Q982 VanDerWaalsContact O-CG 3.28Å; K978-Q982 WeakPolarHBondContact O-CG 3.29Å; K978-Q982 PolarHBondContact O-N 3.1Å; K978-Q982 VanDerWaalsContact O-N 3.15Å
979K89.2Confident88.1Confident121 Ų12169.2 Ų69.253%0.52634%0.342SS..Hα-helixtrans-63.7-39.6174.6-167.6173.3-171.9-78.20111.3L975 A976 E977 Q982 E983L975-K979 PolarHBondContact O-N 3.21Å; L975-K979 VanDerWaalsContact O-N 3.11Å; A976-K979 PolarHBondContact O-N 3.39Å; E977-K979 PolarHBondContact O-N 3.06Å; K979-Q982 WeakPolarHBondContact O-CB 3.47Å; K979-Q982 PolarHBondContact O-N 3.35Å; K979-E983 IonicContact NZ-OE1 2.68Å; K979-E983 PolarHBondContact NZ-OE1 2.83Å; K979-E983 WeakPolarHBondContact O-CB 3.41Å; K979-E983 VanDerWaalsContact O-CG 3.27Å; K979-E983 WeakPolarHBondContact O-CG 3.35Å; K979-E983 PolarHBondContact O-N 3.38Å
980K91.2Very high87.9Confident81 Ų8171.6 Ų71.635%0.35236%0.355SS..Hα-helixtrans-67.5-36.7176.2-78.2178.3156.7-1440114.1L910 S913 A976 E977 K978 Q982 E983 F984L910-K980 HydrophobicContact CB-CD 4.49Å; L910-K980 HydrophobicContact CD2-CB 3.64Å; L910-K980 HydrophobicContact CD2-CD 4.46Å; L910-K980 WeakPolarHBondContact O-CD 3.34Å; L910-K980 PolarHBondContact O-NZ 2.92Å; S913-K980 WeakPolarHBondContact CB-O 3.36Å; A976-K980 WeakPolarHBondContact O-CB 3.33Å; A976-K980 WeakPolarHBondContact O-CG 3.44Å; A976-K980 PolarHBondContact O-N 2.86Å; E977-K980 WeakPolarHBondContact O-CB 3.46Å; E977-K980 PolarHBondContact O-N 3.25Å; E977-K980 VanDerWaalsContact O-N 3.13Å; K978-K980 VanDerWaalsContact C-N 3.32Å; K978-K980 PolarHBondContact O-N 3.06Å; K980-Q982 VanDerWaalsContact C-N 3.34Å; K980-E983 PolarHBondContact O-N 3.45Å; K980-F984 WeakPolarHBondContact O-CB 3.47Å; K980-F984 PolarHBondContact O-N 3.48Å
981T91.8Very high87.1Confident3 Ų369.7 Ų69.72%0.01834%0.338CS..Hα-helixtrans-68-37174.560.90000111.4Y906 L910 A963 L967 E977 K978 F985Y906-T981 HydrophobicContact CE2-CG2 4.05Å; L910-T981 HydrophobicContact CD2-CG2 3.68Å; A963-T981 WeakPolarHBondContact CB-O 3.37Å; L967-T981 HydrophobicContact CB-CG2 4.47Å; L967-T981 HydrophobicContact CD2-CG2 3.68Å; L967-T981 HydrophobicContact CG-CG2 3.9Å; E977-T981 PolarHBondContact O-N 3.16Å; K978-T981 PolarHBondContact O-N 3.32Å; K978-T981 PolarHBondContact O-OG1 2.86Å; T981-F985 PolarHBondContact O-N 3.04Å
982Q92.4Very high85.3Confident53 Ų5370.8 Ų70.825%0.24835%0.346CS..Hα-helixtrans-62.4-52.2171.2-68.5166.9-16.900111.3T960 A963 K978 K979 K980 F984 F985 Q986T960-Q982 PolarHBondContact OG1-NE2 3.07Å; A963-Q982 HydrophobicContact CB-CG 4.49Å; K978-Q982 VanDerWaalsContact O-CG 3.28Å; K978-Q982 WeakPolarHBondContact O-CG 3.29Å; K978-Q982 PolarHBondContact O-N 3.1Å; K978-Q982 VanDerWaalsContact O-N 3.15Å; K979-Q982 WeakPolarHBondContact O-CB 3.47Å; K979-Q982 PolarHBondContact O-N 3.35Å; K980-Q982 VanDerWaalsContact C-N 3.34Å; Q982-F984 VanDerWaalsContact C-N 3.31Å; Q982-F984 PolarHBondContact O-N 2.81Å; Q982-F985 PolarHBondContact O-N 3.34Å; Q982-F985 VanDerWaalsContact O-N 3.08Å; Q982-Q986 WeakPolarHBondContact O-CG 3.45Å; Q982-Q986 PolarHBondContact O-N 3.28Å
983E91.6Very high83.1Confident53 Ų5369.4 Ų69.425%0.24836%0.363CS..Hα-helixtrans-55-43.7176.8-75.5169175.800112.3K979 K980 F985 Q986 H987K979-E983 IonicContact NZ-OE1 2.68Å; K979-E983 PolarHBondContact NZ-OE1 2.83Å; K979-E983 WeakPolarHBondContact O-CB 3.41Å; K979-E983 VanDerWaalsContact O-CG 3.27Å; K979-E983 WeakPolarHBondContact O-CG 3.35Å; K979-E983 PolarHBondContact O-N 3.38Å; K980-E983 PolarHBondContact O-N 3.45Å; E983-F985 PolarHBondContact O-N 3.31Å; E983-Q986 PolarHBondContact O-N 3.25Å; E983-H987 PolarHBondContact O-CD2 3.27Å; E983-H987 PolarHBondContact O-NE2 3.16Å
984F93.1Very high83.2Confident1 Ų170.9 Ų70.90%0.00437%0.372CS..Hα-helixtrans-58.2-45.5175.1177.9-86.4000112.2I901 C909 C919 I923 L967 K980 Q982 F988I901-F984 HydrophobicContact CD1-CD1 4.35Å; I901-F984 HydrophobicContact CD1-CE1 3.54Å; I901-F984 HydrophobicContact CD1-CZ 4.21Å; C909-F984 HydrophobicContact CB-CD1 4.44Å; C909-F984 HydrophobicContact CB-CD2 3.7Å; C909-F984 HydrophobicContact CB-CE1 4.42Å; C909-F984 HydrophobicContact CB-CE2 3.64Å; C909-F984 HydrophobicContact CB-CG 4.12Å; C909-F984 HydrophobicContact CB-CZ 4.03Å; C909-F984 WeakPolarHBondContact O-CD2 3.49Å; C919-F984 HydrophobicContact CB-CD2 3.98Å; C919-F984 HydrophobicContact CB-CE2 3.66Å; C919-F984 HydrophobicContact CB-CZ 4.27Å; C919-F984 WeakPolarHBondContact SG-CD2 3.41Å; I923-F984 HydrophobicContact CD1-CE1 4.12Å; I923-F984 HydrophobicContact CD1-CZ 3.89Å; I923-F984 HydrophobicContact CG1-CZ 4.19Å; L967-F984 HydrophobicContact CD2-CB 4.47Å; L967-F984 HydrophobicContact CD2-CD1 3.98Å; L967-F984 HydrophobicContact CD2-CG 4.26Å; K980-F984 WeakPolarHBondContact O-CB 3.47Å; K980-F984 PolarHBondContact O-N 3.48Å; Q982-F984 VanDerWaalsContact C-N 3.31Å; Q982-F984 PolarHBondContact O-N 2.81Å; F984-F988 HydrophobicContact CD1-CE2 4.21Å; F984-F988 HydrophobicContact CE1-CD2 4.48Å; F984-F988 AromaticContact CE1-CE2 3.74Å; F984-F988 HydrophobicContact CE1-CE2 3.74Å; F984-F988 HydrophobicContact CE2-CE2 4.48Å; F984-F988 AromaticContact CZ-CE2 3.9Å; F984-F988 HydrophobicContact CZ-CE2 3.9Å; F984-F988 HydrophobicContact CZ-CZ 4.36Å; F984-F988 WeakPolarHBondContact O-CD2 3.48Å; F984-F988 WeakPolarHBondContact O-CE2 3.4Å
985F93.1Very high83.1Confident3 Ų369.8 Ų69.81%0.01337%0.366CS..Hα-helixtrans-78.9-28.3-177.1-163.4-117.9000113.3F934 L941 F962 A963 L966 T981 Q982 E983 H987 F988 L989F934-F985 HydrophobicContact CD2-CE2 4.44Å; F934-F985 AromaticContact CE2-CD2 3.74Å; F934-F985 HydrophobicContact CE2-CD2 3.74Å; F934-F985 AromaticContact CE2-CE2 3.55Å; F934-F985 HydrophobicContact CE2-CE2 3.55Å; F934-F985 AromaticContact CZ-CD2 3.82Å; F934-F985 HydrophobicContact CZ-CD2 3.82Å; F934-F985 AromaticContact CZ-CE2 3.71Å; F934-F985 HydrophobicContact CZ-CE2 3.71Å; L941-F985 HydrophobicContact CD1-CE1 3.85Å; L941-F985 HydrophobicContact CD1-CZ 3.94Å; F962-F985 HydrophobicContact CB-CD1 4.24Å; F962-F985 HydrophobicContact CB-CE1 3.67Å; F962-F985 HydrophobicContact CB-CZ 4.3Å; A963-F985 HydrophobicContact CB-CB 3.98Å; L966-F985 HydrophobicContact CD1-CD2 4.2Å; L966-F985 HydrophobicContact CD1-CE1 4.15Å; L966-F985 HydrophobicContact CD1-CE2 3.49Å; L966-F985 VanDerWaalsContact CD1-CE2 3.49Å; L966-F985 HydrophobicContact CD1-CZ 3.46Å; L966-F985 VanDerWaalsContact CD1-CZ 3.46Å; T981-F985 PolarHBondContact O-N 3.04Å; Q982-F985 PolarHBondContact O-N 3.34Å; Q982-F985 VanDerWaalsContact O-N 3.08Å; E983-F985 PolarHBondContact O-N 3.31Å; F985-H987 VanDerWaalsContact C-N 3.26Å; F985-H987 PolarHBondContact O-N 2.69Å; F985-F988 PolarHBondContact O-N 2.69Å; F985-F988 VanDerWaalsContact O-N 3.1Å; F985-L989 HydrophobicContact CD1-CD1 3.99Å; F985-L989 HydrophobicContact CD1-CG 4.21Å; F985-L989 HydrophobicContact CE1-CD1 4Å; F985-L989 HydrophobicContact CE1-CD2 4.01Å; F985-L989 HydrophobicContact CE1-CG 4.05Å; F985-L989 HydrophobicContact CZ-CD2 4.36Å; F985-L989 PolarHBondContact O-N 2.73Å
986Q91.9Very high83Confident53 Ų5365.3 Ų65.325%0.24834%0.342CS..Hα-helixtrans-55.5-36.7176.7-80.8172.1-3200113V955 D956 A959 Q982 E983 F988 L989 T990V955-Q986 HydrophobicContact CG1-CB 4.47Å; V955-Q986 HydrophobicContact CG1-CG 4.06Å; D956-Q986 PolarHBondContact OD1-NE2 2.96Å; A959-Q986 HydrophobicContact CB-CG 3.63Å; Q982-Q986 WeakPolarHBondContact O-CG 3.45Å; Q982-Q986 PolarHBondContact O-N 3.28Å; E983-Q986 PolarHBondContact O-N 3.25Å; Q986-F988 VanDerWaalsContact C-N 3.3Å; Q986-F988 PolarHBondContact O-N 3.1Å; Q986-L989 PolarHBondContact O-N 3.23Å; Q986-L989 VanDerWaalsContact O-N 3.16Å; Q986-T990 WeakPolarHBondContact O-CG2 3.4Å; Q986-T990 PolarHBondContact O-N 3.44Å; Q986-T990 PolarHBondContact O-OG1 2.92Å
987H90.4Very high82.8Confident42 Ų4265.5 Ų65.519%0.19433%0.332CS..Hα-helixtrans-56.4-43.4176.4-61.1-62.5000111.9S913 A916 E983 F985 L989 T990 Q991S913-H987 PolarHBondContact O-NE2 2.91Å; A916-H987 HydrophobicContact CB-CB 4.06Å; E983-H987 PolarHBondContact O-CD2 3.27Å; E983-H987 PolarHBondContact O-NE2 3.16Å; F985-H987 VanDerWaalsContact C-N 3.26Å; F985-H987 PolarHBondContact O-N 2.69Å; H987-L989 VanDerWaalsContact C-N 3.29Å; H987-L989 PolarHBondContact O-N 3.24Å; H987-T990 PolarHBondContact O-N 2.73Å; H987-T990 PolarHBondContact O-OG1 3.08Å; H987-Q991 WeakPolarHBondContact O-CB 3.43Å; H987-Q991 WeakPolarHBondContact O-CG 3.49Å; H987-Q991 PolarHBondContact O-N 2.92Å
988F91.5Very high82.5Confident13 Ų1366 Ų666%0.05734%0.336CS..Hα-helixtrans-76.9-13.7-178-56.7-78.3000113.9C919 E920 I923 F934 A938 R942 F984 F985 Q986C919-F988 HydrophobicContact CB-CE2 3.79Å; C919-F988 HydrophobicContact CB-CZ 3.62Å; E920-F988 HydrophobicContact CG-CE1 4.22Å; I923-F988 HydrophobicContact CB-CE1 4.37Å; I923-F988 HydrophobicContact CB-CZ 4.32Å; I923-F988 HydrophobicContact CD1-CZ 4.4Å; I923-F988 HydrophobicContact CG1-CE1 3.78Å; I923-F988 HydrophobicContact CG1-CE2 4.03Å; I923-F988 HydrophobicContact CG1-CZ 3.36Å; F934-F988 HydrophobicContact CE1-CB 4.37Å; F934-F988 AromaticContact CE1-CD1 3.88Å; F934-F988 HydrophobicContact CE1-CD1 3.88Å; F934-F988 HydrophobicContact CE1-CD2 4.1Å; F934-F988 HydrophobicContact CE1-CE1 4.16Å; F934-F988 HydrophobicContact CE1-CE2 4.36Å; F934-F988 AromaticContact CE1-CG 3.84Å; F934-F988 HydrophobicContact CE1-CG 3.84Å; F934-F988 HydrophobicContact CE1-CZ 4.38Å; F934-F988 HydrophobicContact CZ-CB 4.31Å; F934-F988 HydrophobicContact CZ-CD1 4.29Å; F934-F988 AromaticContact CZ-CD2 3.66Å; F934-F988 HydrophobicContact CZ-CD2 3.66Å; F934-F988 AromaticContact CZ-CE2 3.98Å; F934-F988 HydrophobicContact CZ-CE2 3.98Å; F934-F988 AromaticContact CZ-CG 3.81Å; F934-F988 HydrophobicContact CZ-CG 3.81Å; F934-F988 HydrophobicContact CZ-CZ 4.43Å; A938-F988 HydrophobicContact CB-CB 4.41Å; R942-F988 WeakPolarHBondContact CD-O 3.13Å; R942-F988 PolarHBondContact NH1-O 3.26Å; F984-F988 HydrophobicContact CD1-CE2 4.21Å; F984-F988 HydrophobicContact CE1-CD2 4.48Å; F984-F988 AromaticContact CE1-CE2 3.74Å; F984-F988 HydrophobicContact CE1-CE2 3.74Å; F984-F988 HydrophobicContact CE2-CE2 4.48Å; F984-F988 AromaticContact CZ-CE2 3.9Å; F984-F988 HydrophobicContact CZ-CE2 3.9Å; F984-F988 HydrophobicContact CZ-CZ 4.36Å; F984-F988 WeakPolarHBondContact O-CD2 3.48Å; F984-F988 WeakPolarHBondContact O-CE2 3.4Å; F985-F988 PolarHBondContact O-N 2.69Å; F985-F988 VanDerWaalsContact O-N 3.1Å; Q986-F988 VanDerWaalsContact C-N 3.3Å; Q986-F988 PolarHBondContact O-N 3.1Å
989L89.8Confident82.1Confident10 Ų1063.9 Ų63.95%0.05233%0.33CS..Hα-helixtrans-91.4-23.2171.9-63.5-179.6000112.8L941 L945 V955 L958 A959 F985 Q986 H987L941-L989 HydrophobicContact CB-CD2 3.63Å; L941-L989 HydrophobicContact CD1-CD2 4.14Å; L945-L989 HydrophobicContact CD1-CB 4.04Å; L945-L989 HydrophobicContact CD1-CD2 4.3Å; V955-L989 HydrophobicContact CG1-CB 4.14Å; V955-L989 HydrophobicContact CG1-CD1 4.35Å; L958-L989 HydrophobicContact CB-CD1 3.9Å; A959-L989 HydrophobicContact CB-CD1 4.23Å; F985-L989 HydrophobicContact CD1-CD1 3.99Å; F985-L989 HydrophobicContact CD1-CG 4.21Å; F985-L989 HydrophobicContact CE1-CD1 4Å; F985-L989 HydrophobicContact CE1-CD2 4.01Å; F985-L989 HydrophobicContact CE1-CG 4.05Å; F985-L989 HydrophobicContact CZ-CD2 4.36Å; F985-L989 PolarHBondContact O-N 2.73Å; Q986-L989 PolarHBondContact O-N 3.23Å; Q986-L989 VanDerWaalsContact O-N 3.16Å; H987-L989 VanDerWaalsContact C-N 3.29Å; H987-L989 PolarHBondContact O-N 3.24Å
990T83.1Confident81.6Confident79 Ų7959.8 Ų59.849%0.48532%0.316SS..Hα-helixtrans-102.6-18.6-174.350.50000114.4V955 Q986 H987 H992V955-T990 HydrophobicContact CG1-CG2 3.87Å; V955-T990 HydrophobicContact CG2-CG2 4.1Å; Q986-T990 WeakPolarHBondContact O-CG2 3.4Å; Q986-T990 PolarHBondContact O-N 3.44Å; Q986-T990 PolarHBondContact O-OG1 2.92Å; H987-T990 PolarHBondContact O-N 2.73Å; H987-T990 PolarHBondContact O-OG1 3.08Å; T990-H992 PolarHBondContact O-N 3.26Å
991Q63.5Low80.9Confident68 Ų6858.2 Ų58.232%0.31831%0.313SS..  trans-68111.3175.5-81.2180-25.500112.3E920 H987E920-Q991 PolarHBondContact OE1-NE2 3.05Å; H987-Q991 WeakPolarHBondContact O-CB 3.43Å; H987-Q991 WeakPolarHBondContact O-CG 3.49Å; H987-Q991 PolarHBondContact O-N 2.92Å
992H46.4Very low79.9Confident192 Ų19262.8 Ų62.889%0.88934%0.338SS*.  trans-75.6127151.7-77.2-82.5000109.4T990T990-H992 PolarHBondContact O-N 3.26Å
993S32.5Very low78.8Confident186 Ų18663.6 Ų63.6100%1.30135%0.346SS*.  trans-110.30153.556.50000110

Retrieved 993 of 993 residues in 308.8 ms (Link to these results)

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