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GTPase Obg

An essential GTPase which binds GTP, GDP and possibly (p)ppGpp with moderate affinity, with high nucleotide exchange rates and a fairly low GTP hydrolysis rate. Plays a role in control of the cell cycle, stress response, ribosome biogenesis and in those bacteria that undergo differentiation, in morphogenesis control.

AlphaFold DB , UniProt , Accession Q2FXT1, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene obg, Length 430 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
1M60.4Low83.8Confident144 Ų14448.3 Ų48.371%0.70923%0.234SC*.  0130.50178.1-177.4-7000106.3L56M1-L56 HydrophobicContact CB-CD1 4.06Å; M1-L56 HydrophobicContact CG-CD1 4.17Å; M1-L56 WeakPolarHBondContact O-CD2 3.15Å; M1-L56 HydrophobicContact SD-CD1 4.29Å
2F66.2Low85Confident37 Ų3744.3 Ų44.316%0.16222%0.215CC..  trans-103.6140.2-177.3-177.3-93.3000110.5D4 R53 L155 L157 P183 V199 V209F2-D4 HydrophobicContact CE1-CB 3.81Å; F2-D4 HydrophobicContact CZ-CB 4.46Å; F2-R53 VanDerWaalsContact CE2-O 3.29Å; F2-R53 WeakPolarHBondContact CE2-O 3.15Å; F2-L155 HydrophobicContact CZ-CD2 4.17Å; F2-L157 HydrophobicContact CE1-CD1 3.67Å; F2-L157 HydrophobicContact CE2-CD1 4.26Å; F2-L157 HydrophobicContact CE2-CD2 4.34Å; F2-L157 HydrophobicContact CZ-CD1 3.27Å; F2-L157 HydrophobicContact CZ-CD2 3.83Å; F2-L157 HydrophobicContact CZ-CG 3.93Å; F2-P183 HydrophobicContact CE1-CB 4.13Å; F2-V199 HydrophobicContact CB-CB 4.45Å; F2-V199 HydrophobicContact CB-CG1 3.85Å; F2-V199 HydrophobicContact CB-CG2 4.3Å; F2-V199 HydrophobicContact CD1-CG2 3.61Å; F2-V199 HydrophobicContact CD2-CG1 3.74Å; F2-V199 HydrophobicContact CD2-CG2 4.01Å; F2-V199 HydrophobicContact CE1-CG2 3.84Å; F2-V199 HydrophobicContact CE2-CG1 4.48Å; F2-V199 HydrophobicContact CE2-CG2 4.25Å; F2-V199 HydrophobicContact CG-CB 4.29Å; F2-V199 HydrophobicContact CG-CG1 3.8Å; F2-V199 HydrophobicContact CG-CG2 3.7Å; F2-V199 HydrophobicContact CZ-CG2 4.21Å; F2-V209 HydrophobicContact CE2-CG2 4.46Å
3V71Confident86Confident7 Ų741.1 Ų41.14%0.04220%0.2CC..  trans-134.4113.9-179.9-178.40000108Q5 V6 T54 L55 L56 R59V3-Q5 VanDerWaalsContact CG1-O 3.31Å; V3-Q5 WeakPolarHBondContact CG1-O 3.29Å; V3-V6 HydrophobicContact CG1-CB 4.33Å; V3-T54 PolarHBondContact N-OG1 3.49Å; V3-T54 PolarHBondContact O-OG1 3.42Å; V3-L55 HydrophobicContact CG1-CB 4.34Å; V3-L55 WeakPolarHBondContact O-CB 2.98Å; V3-L55 PolarHBondContact O-N 3.39Å; V3-L56 HydrophobicContact CG2-CB 4.46Å; V3-L56 HydrophobicContact CG2-CD1 3.69Å; V3-R59 HydrophobicContact CG2-CB 4.28Å
4D70Confident86.8Confident38 Ų3841.5 Ų41.520%0.20320%0.204CC..SBendtrans-95.3-17.5174.553.7-9.3000113.3F2 L155 K184F2-D4 HydrophobicContact CE1-CB 3.81Å; F2-D4 HydrophobicContact CZ-CB 4.46Å; D4-L155 PolarHBondContact O-N 3.16Å; D4-K184 PolarHBondContact OD2-N 3.17Å
5Q82.2Confident87.6Confident69 Ų6938.7 Ų38.732%0.32219%0.19SC..EExtended strand (participates in β ladder)trans-141.5135.3-178.8-171.9171.819.300111.8V3 L153 E154V3-Q5 VanDerWaalsContact CG1-O 3.31Å; V3-Q5 WeakPolarHBondContact CG1-O 3.29Å; Q5-L153 WeakPolarHBondContact CA-O 3.36Å; Q5-E154 HydrophobicContact CG-CG 3.98Å; Q5-E154 PolarHBondContact NE2-OE1 2.82Å
6V90Very high88.2Confident12 Ų1236.3 Ų36.37%0.07318%0.179CC..EExtended strand (participates in β ladder)trans-151.5148.8177.663.70000110.3V3 I8 L55 F58 S152 L153V3-V6 HydrophobicContact CG1-CB 4.33Å; V6-I8 HydrophobicContact CG1-CG2 4.43Å; V6-I8 HydrophobicContact CG2-CG2 4.05Å; V6-L55 HydrophobicContact CG1-CB 4.08Å; V6-L55 HydrophobicContact CG1-CD1 4.3Å; V6-F58 HydrophobicContact CB-CB 4.43Å; V6-F58 HydrophobicContact CG1-CB 3.63Å; V6-F58 HydrophobicContact CG1-CG 4.4Å; V6-F58 HydrophobicContact CG2-CB 4.15Å; V6-F58 WeakPolarHBondContact CG2-O 3.24Å; V6-S152 WeakPolarHBondContact O-CA 3.26Å; V6-L153 HydrophobicContact CG1-CB 3.87Å; V6-L153 HydrophobicContact CG1-CD1 4.07Å; V6-L153 HydrophobicContact CG1-CG 4.25Å; V6-L153 PolarHBondContact N-O 3.04Å; V6-L153 VanDerWaalsContact N-O 3.07Å; V6-L153 PolarHBondContact O-N 2.96Å
7K94.1Very high88.8Confident129 Ų12937.2 Ų37.256%0.56118%0.184SC*.EExtended strand (participates in β ladder)trans-107.8133.3170.3-65.6-173.6177.5-169.40108.9V98 V151K7-V98 HydrophobicContact CD-CG1 4.32Å; K7-V98 HydrophobicContact CD-CG2 4.19Å; K7-V98 HydrophobicContact CG-CG2 4.31Å; K7-V151 WeakPolarHBondContact CA-O 3.03Å
8I96.2Very high89.2Confident3 Ų335.6 Ų35.62%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-136.2151.3-179.563.6177.7000109.9V6 L10 F46 F58 R62 F64 V151 L153V6-I8 HydrophobicContact CG1-CG2 4.43Å; V6-I8 HydrophobicContact CG2-CG2 4.05Å; I8-L10 HydrophobicContact CD1-CD2 3.82Å; I8-L10 HydrophobicContact CG1-CD2 4.1Å; I8-F46 HydrophobicContact CD1-CE1 4.31Å; I8-F46 HydrophobicContact CD1-CZ 3.84Å; I8-F58 HydrophobicContact CD1-CD1 3.79Å; I8-F58 HydrophobicContact CD1-CE1 4.14Å; I8-F58 HydrophobicContact CG2-CB 4.05Å; I8-F58 HydrophobicContact CG2-CD1 4.32Å; I8-R62 CarbonylContact C-O 3.52Å; I8-R62 VanDerWaalsContact CA-O 3.3Å; I8-R62 WeakPolarHBondContact CA-O 3.37Å; I8-R62 WeakPolarHBondContact CB-O 3.27Å; I8-F64 HydrophobicContact CB-CD2 4.2Å; I8-F64 HydrophobicContact CB-CE2 4.09Å; I8-F64 HydrophobicContact CD1-CD2 3.99Å; I8-F64 HydrophobicContact CD1-CE2 3.92Å; I8-F64 HydrophobicContact CG2-CE2 4.03Å; I8-V151 HydrophobicContact CD1-CG2 4.02Å; I8-V151 HydrophobicContact CG1-CG2 3.55Å; I8-V151 PolarHBondContact N-O 3.38Å; I8-V151 PolarHBondContact O-N 2.9Å; I8-L153 HydrophobicContact CD1-CD1 3.68Å; I8-L153 HydrophobicContact CD1-CD2 4.43Å; I8-L153 HydrophobicContact CD1-CG 4.04Å; I8-L153 HydrophobicContact CG1-CG 4.47Å
9S97.1Very high89.6Confident33 Ų3337.1 Ų37.123%0.23119%0.186CC..EExtended strand (participates in β ladder)trans-100.1129.2175.1-54.10000109.8R62 H63 F64 D150S9-R62 PolarHBondContact N-O 3.04Å; S9-H63 WeakPolarHBondContact CB-ND1 3.47Å; S9-F64 PolarHBondContact O-N 3.47Å; S9-D150 VanDerWaalsContact CA-OD1 3.24Å; S9-D150 WeakPolarHBondContact CA-OD1 3.46Å; S9-D150 WeakPolarHBondContact CB-OD1 3.28Å; S9-D150 PolarHBondContact OG-OD1 2.99Å
10L97.4Very high89.9Confident1 Ų137.6 Ų37.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-111.9133.3179.1-54.9-177.3000109.9I8 V44 F46 F64 L87 V116 A117 E148 L149 V151I8-L10 HydrophobicContact CD1-CD2 3.82Å; I8-L10 HydrophobicContact CG1-CD2 4.1Å; L10-V44 HydrophobicContact CD1-CG1 4.19Å; L10-V44 HydrophobicContact CD2-CG1 4.12Å; L10-F46 HydrophobicContact CD1-CE2 3.68Å; L10-F46 HydrophobicContact CD1-CZ 4.14Å; L10-F46 HydrophobicContact CD2-CE2 4.45Å; L10-F46 HydrophobicContact CD2-CZ 4.28Å; L10-F64 HydrophobicContact CD2-CB 3.87Å; L10-F64 HydrophobicContact CD2-CD2 4.08Å; L10-F64 HydrophobicContact CD2-CG 4.33Å; L10-L87 HydrophobicContact CD2-CD1 3.96Å; L10-V116 HydrophobicContact CD1-CB 4.23Å; L10-V116 HydrophobicContact CD1-CG1 3.62Å; L10-A117 HydrophobicContact CB-CB 4.43Å; L10-E148 WeakPolarHBondContact O-CA 3.33Å; L10-L149 HydrophobicContact CB-CD2 4.41Å; L10-L149 PolarHBondContact N-O 3.46Å; L10-L149 PolarHBondContact O-N 3.03Å; L10-V151 HydrophobicContact CD1-CB 4.47Å; L10-V151 HydrophobicContact CD1-CG1 3.95Å; L10-V151 HydrophobicContact CD1-CG2 3.65Å; L10-V151 HydrophobicContact CG-CG2 3.93Å
11K97.5Very high90.1Very high58 Ų5836.5 Ų36.525%0.25219%0.188SC..EExtended strand (participates in β ladder)trans-130.5110.7170.5-175.7175.8-169.7111.10109.4F64 K65 A66 E148K11-F64 PolarHBondContact N-O 3.14Å; K11-K65 HydrophobicContact CB-CG 4.32Å; K11-K65 HydrophobicContact CD-CD 4.24Å; K11-K65 HydrophobicContact CD-CG 4.23Å; K11-K65 HydrophobicContact CG-CG 4.39Å; K11-K65 CarbonylContact O-C 3.57Å; K11-K65 WeakPolarHBondContact O-CA 3.32Å; K11-A66 PolarHBondContact O-N 3.03Å; K11-E148 HydrophobicContact CB-CG 4.38Å; K11-E148 HydrophobicContact CG-CB 4.49Å; K11-E148 HydrophobicContact CG-CG 4.45Å; K11-E148 IonicContact NZ-OE1 3.6Å; K11-E148 IonicContact NZ-OE2 3.24Å; K11-E148 PolarHBondContact NZ-OE2 2.83Å
12A97.5Very high91.8Very high1 Ų134.3 Ų34.31%0.00817%0.173CC..PPolyproline II helixtrans-68.2159.5171.600000110.8A117 K118 E147A12-A117 HydrophobicContact CB-CB 3.95Å; A12-K118 VanDerWaalsContact CB-C 3.48Å; A12-K118 WeakPolarHBondContact CB-O 3.37Å; A12-E147 WeakPolarHBondContact CB-O 3.23Å; A12-E147 PolarHBondContact N-O 2.71Å
13G97.9Very high93Very high2 Ų238.6 Ų38.62%0.02119%0.188CC..PPolyproline II helixtrans-72.2137.4178.900000111G41 A42 S67 G119 G120G13-G41 WeakPolarHBondContact O-CA 3.24Å; G13-A42 PolarHBondContact N-O 3.46Å; G13-S67 WeakPolarHBondContact CA-O 3.49Å; G13-G119 WeakPolarHBondContact O-CA 3.47Å; G13-G120 PolarHBondContact O-N 3.08Å
14D97.9Very high93.9Very high47 Ų4749.9 Ų49.925%0.25123%0.23SC..PPolyproline II helixtrans-69.3155.3172.4-47.1-44.5000110.6G41 K68 G69 P145 G146D14-G41 WeakPolarHBondContact O-CA 3.37Å; D14-K68 HydrophobicContact CB-CD 4.21Å; D14-K68 HydrophobicContact CB-CG 3.96Å; D14-K68 WeakPolarHBondContact O-CA 3.41Å; D14-K68 WeakPolarHBondContact O-CG 3.41Å; D14-G69 PolarHBondContact O-N 3.3Å; D14-P145 WeakPolarHBondContact OD1-CA 3.2Å; D14-G146 PolarHBondContact OD1-N 2.68Å
15G97.8Very high94.8Very high0 Ų053.4 Ų53.40%025%0.245CC..PPolyproline II helixtrans-64.8148.2165.600000111.2K68 G120 G143 E144G15-K68 WeakPolarHBondContact O-CE 3.34Å; G15-G120 WeakPolarHBondContact CA-O 3.21Å; G15-G120 PolarHBondContact N-O 2.71Å; G15-G143 WeakPolarHBondContact O-CA 3.1Å; G15-E144 PolarHBondContact N-O 2.71Å
16G97.9Very high95.1Very high0 Ų057.9 Ų57.90%026%0.263CS..PPolyproline II helixtrans-65.9152.516700000111.3G39 G69 E70 G122 G123 G143G16-G39 PolarHBondContact N-O 3.28Å; G16-G69 VanDerWaalsContact CA-O 3.23Å; G16-G69 WeakPolarHBondContact CA-O 3.42Å; G16-G69 PolarHBondContact N-O 2.66Å; G16-E70 WeakPolarHBondContact CA-O 3.34Å; G16-G122 WeakPolarHBondContact O-CA 3.48Å; G16-G123 PolarHBondContact O-N 2.87Å; G16-G143 VanDerWaalsContact O-CA 3.23Å; G16-G143 WeakPolarHBondContact O-CA 3.48Å; G16-G143 PolarHBondContact O-N 3.09Å
17N97.7Very high95Very high52 Ų5266.8 Ų66.828%0.27830%0.297SS..PPolyproline II helixtrans-77.6142175.5-63-22.2000110.4G38 N71 G72 G143N17-G38 WeakPolarHBondContact O-CA 3.46Å; N17-N71 PolarHBondContact N-OD1 3.32Å; N17-N71 WeakPolarHBondContact O-CA 3.44Å; N17-G72 PolarHBondContact O-N 3.42Å; N17-G143 PolarHBondContact OD1-N 2.77Å
18G96.9Very high94.6Very high8 Ų863.7 Ų63.78%0.08229%0.289CS..PPolyproline II helixtrans-68.9159.815900000109.9G36 G123 S140 E141G18-G36 WeakPolarHBondContact CA-O 3.34Å; G18-G123 WeakPolarHBondContact CA-O 3.34Å; G18-G123 PolarHBondContact N-O 2.97Å; G18-S140 PolarHBondContact O-OG 3.12Å; G18-E141 PolarHBondContact N-O 3.25Å
19I96.4Very high94.1Very high63 Ų6369 Ų6932%0.32332%0.323SS..  trans-119.8150.4176.6-167.3171.5000111.1G35 G36 Q73 G125 N126I19-G35 VanDerWaalsContact O-CA 3.3Å; I19-G35 WeakPolarHBondContact O-CA 3.31Å; I19-G36 PolarHBondContact N-O 3.48Å; I19-G36 VanDerWaalsContact N-O 3.16Å; I19-Q73 WeakPolarHBondContact CG2-O 2.97Å; I19-G125 WeakPolarHBondContact O-CA 3.11Å; I19-N126 PolarHBondContact O-N 3.37Å; I19-N126 VanDerWaalsContact O-N 3.09Å
20T95.4Very high93.6Very high48 Ų4876.8 Ų76.829%0.29435%0.354SS..  trans-93.7112.4166.1-55.60000108.8Y22 N126 F139 S140T20-Y22 HydrophobicContact CG2-CE2 4.32Å; T20-N126 HydrophobicContact CG2-CB 4.16Å; T20-F139 VanDerWaalsContact OG1-C 3.23Å; T20-F139 WeakPolarHBondContact OG1-CA 3.28Å; T20-S140 PolarHBondContact N-OG 3.45Å; T20-S140 PolarHBondContact OG1-N 3.04Å; T20-S140 PolarHBondContact OG1-OG 3.32Å; T20-S140 VanDerWaalsContact OG1-OG 3.06Å
21A95Very high93.1Very high14 Ų1477.4 Ų77.412%0.11636%0.36CS..  trans-142.6160.4175.500000111A34 N126A21-A34 HydrophobicContact CB-CB 4.48Å; A21-A34 PolarHBondContact O-N 3.33Å; A21-N126 PolarHBondContact N-OD1 3.33Å; A21-N126 PolarHBondContact O-ND2 2.84Å; A21-N126 PolarHBondContact O-OD1 3.49Å
22Y95.1Very high92.9Very high99 Ų9976.1 Ų76.139%0.38836%0.363SS..BIsolated β-bridgetrans-128.5149.2178.7-57.2-79.8000110.1T20 R24 G32 A136 P137 D138T20-Y22 HydrophobicContact CG2-CE2 4.32Å; Y22-R24 PolarHBondContact O-N 3.1Å; Y22-G32 WeakPolarHBondContact CA-O 3.49Å; Y22-A136 HydrophobicContact CE1-CB 4.08Å; Y22-P137 PolarHBondContact OH-O 3.31Å; Y22-D138 WeakPolarHBondContact OH-CA 3.22Å; Y22-D138 WeakPolarHBondContact OH-CB 3.42Å
23R93.1Very high92.9Very high127 Ų12776.8 Ų76.848%0.47937%0.367SS..  trans-64.5134.5177.6-62.7-175.1-169.3-175.5-0.3109.6G32 A34R23-G32 PolarHBondContact N-O 3.43Å; R23-A34 HydrophobicContact CG-CB 3.71Å
24R88.4Confident92.8Very high244 Ų24476.7 Ų76.792%0.92137%0.367SS*.  trans-118.598174-67.3-176.4178.9177.8-0.1108.1Y22Y22-R24 PolarHBondContact O-N 3.1Å
25E89.7Confident92.8Very high112 Ų11274.5 Ų74.552%0.52336%0.355SS..BIsolated β-bridgetrans-123.6142.2179.7-71.4172.6-154.600109.6Y27 V28E25-Y27 PolarHBondContact O-N 3.01Å; E25-V28 HydrophobicContact CB-CB 4.11Å; E25-V28 HydrophobicContact CB-CG2 4.03Å; E25-V28 PolarHBondContact O-N 3.16Å; E25-V28 VanDerWaalsContact O-N 3.14Å
26K89.1Confident92.7Very high162 Ų16274.5 Ų74.570%0.70436%0.355SS*.THydrogen-bonded Turntrans-61.5132.4175.9-161.7-177.1-177.1-166.50108.2V28K26-V28 VanDerWaalsContact C-N 3.32Å; K26-V28 PolarHBondContact O-N 3.41Å
27Y86.9Confident92.8Very high199 Ų19975.4 Ų75.478%0.7836%0.36SS*.THydrogen-bonded Turntrans73.78.7-177.3-42.6-72000116.3E25E25-Y27 PolarHBondContact O-N 3.01Å
28V86.7Confident92.8Very high64 Ų6473.4 Ų73.439%0.38835%0.352SS..BIsolated β-bridgetrans-120.193.1174.1-173.80000109.9E25 K26E25-V28 HydrophobicContact CB-CB 4.11Å; E25-V28 HydrophobicContact CB-CG2 4.03Å; E25-V28 PolarHBondContact O-N 3.16Å; E25-V28 VanDerWaalsContact O-N 3.14Å; K26-V28 VanDerWaalsContact C-N 3.32Å; K26-V28 PolarHBondContact O-N 3.41Å
29P84.8Confident92.8Very high114 Ų11473.1 Ų73.174%0.7435%0.348SS*.SBendtrans-70.6-31.7-173.725.4-33000114.2
30F85.6Confident92.9Very high198 Ų19874.6 Ų74.687%0.86835%0.352SS*.SBendtrans-117.270.8178.7-61.6-68.6000110.3
31G88.8Confident93Very high14 Ų1472.3 Ų72.314%0.14434%0.338CS..  trans-61.5138.8175.100000111.4
32G92.9Very high93.1Very high30 Ų3071.6 Ų71.631%0.30933%0.333SS..  trans-63.9178.5174.300000113Y22 R23Y22-G32 WeakPolarHBondContact CA-O 3.49Å; R23-G32 PolarHBondContact N-O 3.43Å
33P96.1Very high93.3Very high15 Ų1567.2 Ų67.210%0.09732%0.316CS..BIsolated β-bridgetrans-63.8146.5179.428.3-33.5000111.2S127 A130 P135P33-S127 VanDerWaalsContact C-OG 3.24Å; P33-S127 PolarHBondContact O-OG 2.96Å; P33-A130 HydrophobicContact CG-CB 3.9Å; P33-P135 WeakPolarHBondContact CD-O 3.3Å; P33-P135 WeakPolarHBondContact CG-O 3.44Å
34A96.8Very high93.5Very high1 Ų161.1 Ų61.11%0.00829%0.294CS..  trans-143.217.6-174.100000112.5A21 R23 S74 S75 N76 S127A21-A34 HydrophobicContact CB-CB 4.48Å; A21-A34 PolarHBondContact O-N 3.33Å; R23-A34 HydrophobicContact CG-CB 3.71Å; A34-S74 CarbonylContact O-C 3.38Å; A34-S75 PolarHBondContact O-N 3.43Å; A34-N76 WeakPolarHBondContact CA-OD1 3.41Å; A34-N76 PolarHBondContact O-N 3.45Å; A34-S127 PolarHBondContact N-OG 2.78Å
35G97.2Very high93.9Very high1 Ų149.7 Ų49.71%0.0125%0.251CS..PPolyproline II helixtrans-86.4124.2179.400000111.8I19 N126 S127I19-G35 VanDerWaalsContact O-CA 3.3Å; I19-G35 WeakPolarHBondContact O-CA 3.31Å; G35-N126 WeakPolarHBondContact CA-OD1 3.37Å; G35-N126 PolarHBondContact N-OD1 3.04Å; G35-S127 PolarHBondContact N-OG 3.24Å; G35-S127 WeakPolarHBondContact O-CB 3.48Å; G35-S127 PolarHBondContact O-OG 2.79Å
36G97.5Very high94.2Very high0 Ų044.4 Ų44.40%023%0.226CC..PPolyproline II helixtrans-76155172.900000113.5G18 I19 Q73 G125G18-G36 WeakPolarHBondContact CA-O 3.34Å; I19-G36 PolarHBondContact N-O 3.48Å; I19-G36 VanDerWaalsContact N-O 3.16Å; G36-Q73 PolarHBondContact N-O 3.14Å; G36-G125 WeakPolarHBondContact O-CA 3.39Å
37D98.1Very high94.4Very high18 Ų1838.4 Ų38.410%0.09620%0.2CC..PPolyproline II helixtrans-71.3149.7167.5-52.3-29.4000111.2G72 H78 G79 G123 R124 G125 R128D37-G72 VanDerWaalsContact O-CA 3.28Å; D37-G72 WeakPolarHBondContact O-CA 3.3Å; D37-H78 VanDerWaalsContact CB-ND1 3.3Å; D37-H78 WeakPolarHBondContact CB-ND1 3.42Å; D37-H78 VanDerWaalsContact CG-CE1 3.48Å; D37-H78 PolarHBondContact N-ND1 3.43Å; D37-H78 CarbonylContact O-C 3.58Å; D37-H78 VanDerWaalsContact O-CA 3.28Å; D37-H78 WeakPolarHBondContact O-CA 3.18Å; D37-H78 IonicContact OD2-CE1 2.76Å; D37-H78 PolarHBondContact OD2-CE1 3.28Å; D37-H78 VanDerWaalsContact OD2-CE1 3.24Å; D37-H78 IonicContact OD2-ND1 3.38Å; D37-G79 PolarHBondContact O-N 2.93Å; D37-G123 CarbonylContact C-O 3.59Å; D37-G123 VanDerWaalsContact CA-O 3.3Å; D37-G123 WeakPolarHBondContact CA-O 3.5Å; D37-R124 VanDerWaalsContact OD1-CA 3.31Å; D37-R124 WeakPolarHBondContact OD1-CA 2.91Å; D37-G125 PolarHBondContact OD1-N 3.39Å; D37-R128 WeakPolarHBondContact OD1-CG 3.13Å; D37-R128 IonicContact OD1-NE 2.82Å; D37-R128 WeakPolarHBondContact OD2-CG 3.22Å; D37-R128 IonicContact OD2-CZ 3.1Å; D37-R128 IonicContact OD2-NE 2.73Å; D37-R128 PolarHBondContact OD2-NE 3.1Å; D37-R128 IonicContact OD2-NH2 3.82Å; D37-R128 PolarHBondContact OD2-NH2 2.61Å
38G97.9Very high94.4Very high11 Ų1128.9 Ų28.911%0.11316%0.163CC..PPolyproline II helixtrans-72.9158.4167.700000112.7N17 E70 G122 G123N17-G38 WeakPolarHBondContact O-CA 3.46Å; G38-E70 WeakPolarHBondContact CA-O 3.39Å; G38-G122 WeakPolarHBondContact O-CA 3.4Å; G38-G123 PolarHBondContact N-O 2.93Å
39G98Very high94.5Very high1 Ų128.4 Ų28.41%0.0116%0.158CC..PPolyproline II helixtrans-77.6160.9175.200000112.8G16 E70 G79 G122G16-G39 PolarHBondContact N-O 3.28Å; G39-E70 PolarHBondContact N-O 3.01Å; G39-G79 VanDerWaalsContact CA-O 3.27Å; G39-G79 WeakPolarHBondContact CA-O 3.19Å; G39-G122 VanDerWaalsContact O-CA 3.25Å; G39-G122 WeakPolarHBondContact O-CA 3.4Å
40K97.9Very high94.2Very high94 Ų9425.8 Ų25.841%0.40914%0.136SC..PPolyproline II helixtrans-71137.9172.8-167-163.7169.2-166.60110.3G69 N81 A82K40-G69 WeakPolarHBondContact O-CA 3.5Å; K40-N81 HydrophobicContact CB-CB 4.34Å; K40-N81 WeakPolarHBondContact CB-OD1 3.38Å; K40-N81 PolarHBondContact N-OD1 3.12Å; K40-N81 WeakPolarHBondContact O-CA 3.31Å; K40-A82 PolarHBondContact O-N 2.76Å
41G97.8Very high93.8Very high0 Ų019.2 Ų19.20%012%0.124CC..PPolyproline II helixtrans-73.3157.3168.500000112.7G13 D14 G119 G120G13-G41 WeakPolarHBondContact O-CA 3.24Å; D14-G41 WeakPolarHBondContact O-CA 3.37Å; G41-G119 WeakPolarHBondContact O-CA 3.49Å; G41-G120 PolarHBondContact N-O 2.82Å
42A98.1Very high93.5Very high0 Ų020.6 Ų20.60%013%0.128CC..PPolyproline II helixtrans-73.9135.1-179.900000111.1G13 A66 S67 A82 E83 G119G13-A42 PolarHBondContact N-O 3.46Å; A42-A66 HydrophobicContact CB-CB 3.66Å; A42-A66 WeakPolarHBondContact O-CB 3.44Å; A42-S67 VanDerWaalsContact CB-O 3.22Å; A42-S67 WeakPolarHBondContact CB-O 3.44Å; A42-S67 PolarHBondContact N-O 2.97Å; A42-A82 HydrophobicContact CB-CB 3.81Å; A42-E83 WeakPolarHBondContact CB-O 3.28Å; A42-G119 WeakPolarHBondContact O-CA 3.44Å
43S97.7Very high92.6Very high6 Ų621.8 Ų21.84%0.04212%0.123CC..PPolyproline II helixtrans-80.6158.8169.7-39.90000109.7D84 L85 A117 G119S43-D84 WeakPolarHBondContact CB-OD1 3.34Å; S43-D84 PolarHBondContact N-OD1 3.36Å; S43-D84 CarbonylContact O-C 3.55Å; S43-D84 WeakPolarHBondContact O-CA 3.32Å; S43-D84 PolarHBondContact OG-OD1 3.19Å; S43-L85 PolarHBondContact O-N 2.86Å; S43-A117 CarbonylContact C-O 3.48Å; S43-A117 VanDerWaalsContact CA-O 3.29Å; S43-A117 WeakPolarHBondContact CA-O 2.95Å; S43-A117 WeakPolarHBondContact CB-O 3.29Å; S43-G119 PolarHBondContact OG-N 3.06Å
44V97.3Very high91.8Very high0 Ų022.3 Ų22.30%013%0.126CC..EExtended strand (participates in β ladder)trans-95.4119.4165.5-175.80000107.9L10 F46 A66 L85 L87 V116 A117L10-V44 HydrophobicContact CD1-CG1 4.19Å; L10-V44 HydrophobicContact CD2-CG1 4.12Å; V44-F46 HydrophobicContact CG1-CE2 4.1Å; V44-A66 HydrophobicContact CG2-CB 4.08Å; V44-L85 HydrophobicContact CG2-CD2 4.47Å; V44-L87 HydrophobicContact CG1-CD1 3.61Å; V44-L87 HydrophobicContact CG1-CG 4.11Å; V44-V116 PolarHBondContact O-N 3.42Å; V44-A117 HydrophobicContact CB-CB 4Å; V44-A117 HydrophobicContact CG2-CB 4.11Å; V44-A117 PolarHBondContact N-O 3.39Å; V44-A117 PolarHBondContact O-N 2.88Å
45V96.5Very high91.2Very high4 Ų422.3 Ų22.32%0.02413%0.126CC..EExtended strand (participates in β ladder)trans-118.6128.2-176.7-175.60000108.3D84 L85 V86 L87 R113 A114 V115V45-D84 HydrophobicContact CG2-CB 3.97Å; V45-L85 PolarHBondContact N-O 3.42Å; V45-V86 CarbonylContact O-C 3.51Å; V45-V86 VanDerWaalsContact O-CA 3.3Å; V45-V86 WeakPolarHBondContact O-CA 3.37Å; V45-L87 PolarHBondContact O-N 3.36Å; V45-R113 HydrophobicContact CG1-CB 3.98Å; V45-A114 CarbonylContact C-O 3.42Å; V45-A114 WeakPolarHBondContact CA-O 3.38Å; V45-V115 HydrophobicContact CG2-CG2 4.08Å
46F95.9Very high90.4Very high0 Ų023.8 Ų23.80%013%0.134CC..EExtended strand (participates in β ladder)trans-91.5140.9168.1-75.9-99.2000109.5I8 L10 V44 F58 L87 V89 I95 L107 R113 A114 V116 L153I8-F46 HydrophobicContact CD1-CE1 4.31Å; I8-F46 HydrophobicContact CD1-CZ 3.84Å; L10-F46 HydrophobicContact CD1-CE2 3.68Å; L10-F46 HydrophobicContact CD1-CZ 4.14Å; L10-F46 HydrophobicContact CD2-CE2 4.45Å; L10-F46 HydrophobicContact CD2-CZ 4.28Å; V44-F46 HydrophobicContact CG1-CE2 4.1Å; F46-F58 HydrophobicContact CE1-CE1 4.1Å; F46-F58 HydrophobicContact CE1-CZ 4.23Å; F46-L87 WeakPolarHBondContact CA-O 3.34Å; F46-L87 HydrophobicContact CD1-CB 3.95Å; F46-L87 HydrophobicContact CE1-CB 3.87Å; F46-L87 HydrophobicContact CE1-CD1 4.01Å; F46-L87 HydrophobicContact CE2-CD1 4.01Å; F46-L87 HydrophobicContact CG-CB 4.4Å; F46-L87 HydrophobicContact CZ-CB 4.25Å; F46-L87 HydrophobicContact CZ-CD1 3.59Å; F46-V89 HydrophobicContact CB-CG2 4.45Å; F46-V89 HydrophobicContact CD1-CG1 3.57Å; F46-V89 HydrophobicContact CD1-CG2 4.27Å; F46-V89 HydrophobicContact CE1-CG1 3.96Å; F46-I95 HydrophobicContact CB-CD1 3.6Å; F46-I95 HydrophobicContact CD1-CD1 3.66Å; F46-I95 HydrophobicContact CD2-CD1 3.52Å; F46-I95 HydrophobicContact CE1-CD1 4.19Å; F46-I95 HydrophobicContact CE2-CD1 4.05Å; F46-I95 HydrophobicContact CG-CD1 3.27Å; F46-I95 HydrophobicContact CZ-CD1 4.35Å; F46-L107 HydrophobicContact CB-CD1 3.53Å; F46-R113 CarbonylContact O-C 3.52Å; F46-R113 VanDerWaalsContact O-CA 3.24Å; F46-R113 WeakPolarHBondContact O-CA 3.09Å; F46-A114 PolarHBondContact N-O 3.19Å; F46-A114 PolarHBondContact O-N 3Å; F46-V116 HydrophobicContact CD2-CB 3.91Å; F46-V116 HydrophobicContact CD2-CG2 3.4Å; F46-V116 VanDerWaalsContact CD2-CG2 3.4Å; F46-V116 HydrophobicContact CE2-CB 4.01Å; F46-V116 HydrophobicContact CE2-CG1 4.31Å; F46-V116 HydrophobicContact CE2-CG2 3.91Å; F46-V116 HydrophobicContact CG-CG2 4.33Å; F46-L153 HydrophobicContact CD1-CD2 4.41Å; F46-L153 HydrophobicContact CE1-CD1 3.86Å; F46-L153 HydrophobicContact CE1-CD2 3.71Å; F46-L153 HydrophobicContact CE1-CG 4.43Å; F46-L153 HydrophobicContact CZ-CD1 4.48Å; F46-L153 HydrophobicContact CZ-CD2 3.98Å
47E95Very high89.9Confident36 Ų3628.6 Ų28.617%0.16816%0.16CC..EExtended strand (participates in β ladder)trans-137.1132.3-179-178171.6134.800109.7V86 L87 K88 V89 Q112 R113E47-V86 HydrophobicContact CB-CG1 3.67Å; E47-V86 HydrophobicContact CG-CG1 4.48Å; E47-V86 WeakPolarHBondContact OE2-CG1 3.34Å; E47-L87 PolarHBondContact N-O 3.17Å; E47-K88 HydrophobicContact CB-CD 4.07Å; E47-K88 HydrophobicContact CG-CD 4.23Å; E47-K88 CarbonylContact O-C 3.58Å; E47-K88 VanDerWaalsContact O-CA 3.3Å; E47-K88 WeakPolarHBondContact O-CA 3.43Å; E47-K88 IonicContact OE1-NZ 3.96Å; E47-K88 PolarHBondContact OE1-NZ 3.31Å; E47-V89 PolarHBondContact O-N 3.37Å; E47-Q112 VanDerWaalsContact CA-O 3.32Å; E47-Q112 WeakPolarHBondContact CA-O 3.33Å; E47-R113 HydrophobicContact CB-CG 4.08Å; E47-R113 HydrophobicContact CG-CG 3.78Å; E47-R113 WeakPolarHBondContact OE2-CD 3.29Å; E47-R113 IonicContact OE2-CZ 3.35Å; E47-R113 IonicContact OE2-NE 2.71Å; E47-R113 PolarHBondContact OE2-NE 3.17Å; E47-R113 IonicContact OE2-NH2 3.08Å
48V87Confident89.5Confident0 Ų028.2 Ų28.20%016%0.157CC..EExtended strand (participates in β ladder)trans-70.2137.4176.5-179.60000109.9V89 P91 L107 E109 G111 Q112V48-V89 WeakPolarHBondContact CA-O 3.24Å; V48-P91 HydrophobicContact CG1-CB 3.79Å; V48-P91 HydrophobicContact CG1-CG 4.46Å; V48-L107 HydrophobicContact CG2-CB 3.59Å; V48-L107 HydrophobicContact CG2-CD2 4.43Å; V48-L107 HydrophobicContact CG2-CG 4.43Å; V48-E109 WeakPolarHBondContact CB-O 3.22Å; V48-E109 WeakPolarHBondContact CG1-O 3.13Å; V48-E109 VanDerWaalsContact CG2-O 3.26Å; V48-E109 WeakPolarHBondContact CG2-O 3.1Å; V48-G111 PolarHBondContact O-N 2.86Å; V48-Q112 HydrophobicContact CG2-CB 4.06Å; V48-Q112 PolarHBondContact N-O 3.49Å
49D86.9Confident88.7Confident53 Ų5333.4 Ų33.428%0.28317%0.173SC..  trans-133.6110.7171.4-174.1-31.1000108.3G51 L52 K88 V89D49-G51 PolarHBondContact O-N 3.02Å; D49-G51 VanDerWaalsContact O-N 3.17Å; D49-G51 WeakPolarHBondContact OD1-CA 3.06Å; D49-G51 PolarHBondContact OD1-N 3.05Å; D49-L52 HydrophobicContact CB-CD1 4.03Å; D49-L52 HydrophobicContact CB-CG 4.01Å; D49-L52 WeakPolarHBondContact O-CB 3.26Å; D49-L52 PolarHBondContact O-N 3.21Å; D49-K88 HydrophobicContact CB-CB 4.22Å; D49-K88 HydrophobicContact CB-CD 4.21Å; D49-V89 PolarHBondContact N-O 2.92Å
50E79.5Confident88.1Confident59 Ų5941.5 Ų41.528%0.27621%0.205SC..THydrogen-bonded Turntrans-60.6-18.5177-83.8-161.8-15800114.7L52 P91 D110 K238E50-L52 PolarHBondContact O-N 3.08Å; E50-P91 HydrophobicContact CG-CG 4.46Å; E50-D110 HydrophobicContact CG-CB 3.82Å; E50-D110 PolarHBondContact N-OD1 3.02Å; E50-D110 VanDerWaalsContact N-OD1 3.08Å; E50-K238 IonicContact OE2-NZ 3.79Å; E50-K238 PolarHBondContact OE2-NZ 3.33Å
51G77.9Confident87.7Confident60 Ų6042.2 Ų42.262%0.61921%0.209SC*.THydrogen-bonded Turntrans-68.8-19.1172.300000113.2D49D49-G51 PolarHBondContact O-N 3.02Å; D49-G51 VanDerWaalsContact O-N 3.17Å; D49-G51 WeakPolarHBondContact OD1-CA 3.06Å; D49-G51 PolarHBondContact OD1-N 3.05Å
52L82.7Confident87.5Confident43 Ų4349.2 Ų49.223%0.22524%0.236CC..  trans-94.8137.4-178.9-59.4-178.6000111.7D49 E50 K88 P90D49-L52 HydrophobicContact CB-CD1 4.03Å; D49-L52 HydrophobicContact CB-CG 4.01Å; D49-L52 WeakPolarHBondContact O-CB 3.26Å; D49-L52 PolarHBondContact O-N 3.21Å; E50-L52 PolarHBondContact O-N 3.08Å; L52-K88 HydrophobicContact CD1-CB 3.54Å; L52-P90 HydrophobicContact CB-CB 4.36Å; L52-P90 HydrophobicContact CB-CG 3.87Å; L52-P90 WeakPolarHBondContact O-CA 3.11Å; L52-P90 VanDerWaalsContact O-CB 3.24Å; L52-P90 WeakPolarHBondContact O-CB 3.37Å
53R73.4Confident87.4Confident56 Ų5655.9 Ų55.921%0.21127%0.266CS..  trans-122.9-11.3-177.3-62-179-179.2174.2-1.2114.5F2 L155 S207F2-R53 VanDerWaalsContact CE2-O 3.29Å; F2-R53 WeakPolarHBondContact CE2-O 3.15Å; R53-L155 WeakPolarHBondContact O-CD2 3.49Å; R53-S207 WeakPolarHBondContact CD-O 3.3Å; R53-S207 PolarHBondContact NH1-O 2.83Å
54T78.3Confident87.3Confident26 Ų2656.2 Ų56.216%0.1627%0.267CS..  trans-145.6151.3-173178.60000110V3 L56V3-T54 PolarHBondContact N-OG1 3.49Å; V3-T54 PolarHBondContact O-OG1 3.42Å; T54-L56 HydrophobicContact CG2-CB 3.65Å; T54-L56 PolarHBondContact O-N 3.29Å; T54-L56 VanDerWaalsContact O-N 3.16Å; T54-L56 PolarHBondContact OG1-N 3.39Å
55L84.5Confident87.3Confident0 Ų063.5 Ų63.50%030%0.299CS..SBendtrans-85.730.4173.3-61.4170.4000111.7V3 V6 D57 F58 V89 P90 T93 L153 L155V3-L55 HydrophobicContact CG1-CB 4.34Å; V3-L55 WeakPolarHBondContact O-CB 2.98Å; V3-L55 PolarHBondContact O-N 3.39Å; V6-L55 HydrophobicContact CG1-CB 4.08Å; V6-L55 HydrophobicContact CG1-CD1 4.3Å; L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 2.93Å; L55-F58 HydrophobicContact CB-CD2 4.16Å; L55-F58 HydrophobicContact CD2-CD2 3.86Å; L55-F58 HydrophobicContact CD2-CE2 3.96Å; L55-F58 PolarHBondContact O-N 2.95Å; L55-V89 HydrophobicContact CD2-CB 4.5Å; L55-V89 HydrophobicContact CD2-CG1 4.11Å; L55-P90 HydrophobicContact CD2-CG 4.41Å; L55-T93 HydrophobicContact CD2-CG2 4.28Å; L55-L153 HydrophobicContact CD1-CB 3.71Å; L55-L153 HydrophobicContact CD2-CB 4.33Å; L55-L153 HydrophobicContact CD2-CD1 4.19Å; L55-L155 HydrophobicContact CD1-CB 3.99Å; L55-L155 HydrophobicContact CG-CB 4.34Å
56L81.8Confident87.4Confident32 Ų3263.5 Ų63.517%0.16830%0.3CS..Hα-helixtrans-65.1-37.9-172.2-178.766.1000111.4M1 V3 T54 F58 R59 Y60M1-L56 HydrophobicContact CB-CD1 4.06Å; M1-L56 HydrophobicContact CG-CD1 4.17Å; M1-L56 WeakPolarHBondContact O-CD2 3.15Å; M1-L56 HydrophobicContact SD-CD1 4.29Å; V3-L56 HydrophobicContact CG2-CB 4.46Å; V3-L56 HydrophobicContact CG2-CD1 3.69Å; T54-L56 HydrophobicContact CG2-CB 3.65Å; T54-L56 PolarHBondContact O-N 3.29Å; T54-L56 VanDerWaalsContact O-N 3.16Å; T54-L56 PolarHBondContact OG1-N 3.39Å; L56-F58 VanDerWaalsContact C-N 3.28Å; L56-F58 PolarHBondContact O-N 3.34Å; L56-R59 WeakPolarHBondContact O-CB 3.05Å; L56-R59 PolarHBondContact O-N 3.19Å; L56-Y60 HydrophobicContact CD1-CE2 3.84Å; L56-Y60 HydrophobicContact CD2-CE2 4.3Å; L56-Y60 HydrophobicContact CG-CD2 4.43Å; L56-Y60 HydrophobicContact CG-CE2 3.8Å; L56-Y60 WeakPolarHBondContact O-CD2 3.32Å
57D85.4Confident87.4Confident102 Ų10267.3 Ų67.355%0.54533%0.326SS..Hα-helixtrans-60.8-39.6-177.4-63.7-12.4000111.9L55 R59 Y60 Q61L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 2.93Å; D57-R59 PolarHBondContact O-N 3.35Å; D57-Y60 PolarHBondContact O-N 3.26Å; D57-Q61 PolarHBondContact O-N 3.13Å; D57-Q61 VanDerWaalsContact O-N 3.1Å
58F89.7Confident87.6Confident9 Ų970.3 Ų70.34%0.03934%0.338CS..Hα-helixtrans-67.7-17.8175.7-62.1-77.8000113.6V6 I8 F46 L55 L56 Q61 F64 L87 K88 V89 L153V6-F58 HydrophobicContact CB-CB 4.43Å; V6-F58 HydrophobicContact CG1-CB 3.63Å; V6-F58 HydrophobicContact CG1-CG 4.4Å; V6-F58 HydrophobicContact CG2-CB 4.15Å; V6-F58 WeakPolarHBondContact CG2-O 3.24Å; I8-F58 HydrophobicContact CD1-CD1 3.79Å; I8-F58 HydrophobicContact CD1-CE1 4.14Å; I8-F58 HydrophobicContact CG2-CB 4.05Å; I8-F58 HydrophobicContact CG2-CD1 4.32Å; F46-F58 HydrophobicContact CE1-CE1 4.1Å; F46-F58 HydrophobicContact CE1-CZ 4.23Å; L55-F58 HydrophobicContact CB-CD2 4.16Å; L55-F58 HydrophobicContact CD2-CD2 3.86Å; L55-F58 HydrophobicContact CD2-CE2 3.96Å; L55-F58 PolarHBondContact O-N 2.95Å; L56-F58 VanDerWaalsContact C-N 3.28Å; L56-F58 PolarHBondContact O-N 3.34Å; F58-Q61 CarbonylContact C-O 3.5Å; F58-Q61 CarbonylContact O-C 3.55Å; F58-F64 AromaticContact CD1-CE2 3.65Å; F58-F64 HydrophobicContact CD1-CE2 3.65Å; F58-F64 AromaticContact CD1-CZ 3.54Å; F58-F64 HydrophobicContact CD1-CZ 3.54Å; F58-F64 HydrophobicContact CE1-CE2 4.16Å; F58-F64 AromaticContact CE1-CZ 3.88Å; F58-F64 HydrophobicContact CE1-CZ 3.88Å; F58-L87 HydrophobicContact CE1-CB 4.17Å; F58-L87 HydrophobicContact CE1-CD1 4.35Å; F58-L87 HydrophobicContact CZ-CB 4.28Å; F58-K88 WeakPolarHBondContact CE2-O 3.35Å; F58-K88 VanDerWaalsContact CZ-O 3.27Å; F58-K88 WeakPolarHBondContact CZ-O 3.06Å; F58-V89 HydrophobicContact CE2-CG1 3.59Å; F58-V89 HydrophobicContact CZ-CG1 3.54Å; F58-L153 HydrophobicContact CB-CD1 4.45Å; F58-L153 HydrophobicContact CD1-CD1 3.76Å; F58-L153 HydrophobicContact CD2-CD1 3.93Å; F58-L153 HydrophobicContact CE1-CD1 3.91Å; F58-L153 HydrophobicContact CE2-CD1 4.09Å; F58-L153 HydrophobicContact CG-CD1 3.76Å; F58-L153 HydrophobicContact CZ-CD1 4.08Å
59R81.3Confident88.1Confident121 Ų12170.4 Ų70.446%0.45734%0.34SS..Hα-helixtrans-72-36.5175-173.1176.2178.2140.30.7111.4V3 L56 D57V3-R59 HydrophobicContact CG2-CB 4.28Å; L56-R59 WeakPolarHBondContact O-CB 3.05Å; L56-R59 PolarHBondContact O-N 3.19Å; D57-R59 PolarHBondContact O-N 3.35Å
60Y85.8Confident88.6Confident171 Ų17172.9 Ų72.967%0.67135%0.35SS*.Hα-helixtrans-84.9-33.5-179.8-62.9-68.1000112L56 D57L56-Y60 HydrophobicContact CD1-CE2 3.84Å; L56-Y60 HydrophobicContact CD2-CE2 4.3Å; L56-Y60 HydrophobicContact CG-CD2 4.43Å; L56-Y60 HydrophobicContact CG-CE2 3.8Å; L56-Y60 WeakPolarHBondContact O-CD2 3.32Å; D57-Y60 PolarHBondContact O-N 3.26Å
61Q90.5Very high89.5Confident108 Ų10873.9 Ų73.951%0.50536%0.357SS..  trans-113.6106.1174.6-173.6173.2-4.500110.5D57 F58 F64D57-Q61 PolarHBondContact O-N 3.13Å; D57-Q61 VanDerWaalsContact O-N 3.1Å; F58-Q61 CarbonylContact C-O 3.5Å; F58-Q61 CarbonylContact O-C 3.55Å; Q61-F64 HydrophobicContact CB-CE1 4.28Å; Q61-F64 HydrophobicContact CB-CZ 3.92Å; Q61-F64 VanDerWaalsContact CD-CE1 3.4Å; Q61-F64 HydrophobicContact CG-CD1 4.29Å; Q61-F64 HydrophobicContact CG-CE1 3.68Å; Q61-F64 HydrophobicContact CG-CE2 4.3Å; Q61-F64 HydrophobicContact CG-CZ 3.68Å; Q61-F64 WeakPolarHBondContact O-CE2 3.48Å; Q61-F64 WeakPolarHBondContact O-CZ 3.43Å
62R91.5Very high90.4Very high147 Ų14771.2 Ų71.256%0.55533%0.329SS*.  trans-98.1-18.2-177.2-65.6-170.3-179.8-168.3-1.9115.1I8 S9I8-R62 CarbonylContact C-O 3.52Å; I8-R62 VanDerWaalsContact CA-O 3.3Å; I8-R62 WeakPolarHBondContact CA-O 3.37Å; I8-R62 WeakPolarHBondContact CB-O 3.27Å; S9-R62 PolarHBondContact N-O 3.04Å
63H96.1Very high91.1Very high140 Ų14073.7 Ų73.765%0.64834%0.34SS*.EExtended strand (participates in β ladder)trans-117122.1-177.9-58.8-72.6000109.5S9S9-H63 WeakPolarHBondContact CB-ND1 3.47Å
64F97.1Very high92.2Very high14 Ų1474.1 Ų74.16%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-119116.6179.1-64.5-85.6000109.1I8 S9 L10 K11 F58 Q61 L85 L87I8-F64 HydrophobicContact CB-CD2 4.2Å; I8-F64 HydrophobicContact CB-CE2 4.09Å; I8-F64 HydrophobicContact CD1-CD2 3.99Å; I8-F64 HydrophobicContact CD1-CE2 3.92Å; I8-F64 HydrophobicContact CG2-CE2 4.03Å; S9-F64 PolarHBondContact O-N 3.47Å; L10-F64 HydrophobicContact CD2-CB 3.87Å; L10-F64 HydrophobicContact CD2-CD2 4.08Å; L10-F64 HydrophobicContact CD2-CG 4.33Å; K11-F64 PolarHBondContact N-O 3.14Å; F58-F64 AromaticContact CD1-CE2 3.65Å; F58-F64 HydrophobicContact CD1-CE2 3.65Å; F58-F64 AromaticContact CD1-CZ 3.54Å; F58-F64 HydrophobicContact CD1-CZ 3.54Å; F58-F64 HydrophobicContact CE1-CE2 4.16Å; F58-F64 AromaticContact CE1-CZ 3.88Å; F58-F64 HydrophobicContact CE1-CZ 3.88Å; Q61-F64 HydrophobicContact CB-CE1 4.28Å; Q61-F64 HydrophobicContact CB-CZ 3.92Å; Q61-F64 VanDerWaalsContact CD-CE1 3.4Å; Q61-F64 HydrophobicContact CG-CD1 4.29Å; Q61-F64 HydrophobicContact CG-CE1 3.68Å; Q61-F64 HydrophobicContact CG-CE2 4.3Å; Q61-F64 HydrophobicContact CG-CZ 3.68Å; Q61-F64 WeakPolarHBondContact O-CE2 3.48Å; Q61-F64 WeakPolarHBondContact O-CZ 3.43Å; F64-L85 HydrophobicContact CB-CD2 3.99Å; F64-L87 HydrophobicContact CB-CD1 4.05Å; F64-L87 HydrophobicContact CD1-CD1 3.94Å; F64-L87 HydrophobicContact CD1-CD2 3.36Å; F64-L87 HydrophobicContact CD1-CG 4.32Å; F64-L87 HydrophobicContact CD2-CD1 4.16Å; F64-L87 HydrophobicContact CE1-CD1 4.43Å; F64-L87 HydrophobicContact CE1-CD2 3.65Å; F64-L87 HydrophobicContact CG-CD1 3.77Å; F64-L87 HydrophobicContact CG-CD2 4.06Å
65K97Very high92.9Very high152 Ų15277.3 Ų77.366%0.66138%0.375SS*.EExtended strand (participates in β ladder)trans-118.3120.1179.2-174.8177.1179.9-179.30109.5K11K11-K65 HydrophobicContact CB-CG 4.32Å; K11-K65 HydrophobicContact CD-CD 4.24Å; K11-K65 HydrophobicContact CD-CG 4.23Å; K11-K65 HydrophobicContact CG-CG 4.39Å; K11-K65 CarbonylContact O-C 3.57Å; K11-K65 WeakPolarHBondContact O-CA 3.32Å
66A97.5Very high93.4Very high5 Ų579.9 Ų79.94%0.04139%0.388CS..PPolyproline II helixtrans-82.5157.617600000111.4K11 A42 V44 L85K11-A66 PolarHBondContact O-N 3.03Å; A42-A66 HydrophobicContact CB-CB 3.66Å; A42-A66 WeakPolarHBondContact O-CB 3.44Å; V44-A66 HydrophobicContact CG2-CB 4.08Å; A66-L85 HydrophobicContact CB-CB 3.69Å; A66-L85 HydrophobicContact CB-CD2 4.29Å
67S97.8Very high94.1Very high79 Ų7983.2 Ų83.255%0.55240%0.404SS*.PPolyproline II helixtrans-71.8140.4-174.1-66.90000112.8G13 A42 A82G13-S67 WeakPolarHBondContact CA-O 3.49Å; A42-S67 VanDerWaalsContact CB-O 3.22Å; A42-S67 WeakPolarHBondContact CB-O 3.44Å; A42-S67 PolarHBondContact N-O 2.97Å; S67-A82 WeakPolarHBondContact O-CB 3.33Å
68K97.9Very high94.6Very high99 Ų9983.5 Ų83.543%0.4340%0.402SS..PPolyproline II helixtrans-73145.1175.2-167-176.4171.7163.50111.1D14 G15D14-K68 HydrophobicContact CB-CD 4.21Å; D14-K68 HydrophobicContact CB-CG 3.96Å; D14-K68 WeakPolarHBondContact O-CA 3.41Å; D14-K68 WeakPolarHBondContact O-CG 3.41Å; G15-K68 WeakPolarHBondContact O-CE 3.34Å
69G97.7Very high95Very high3 Ų383.5 Ų83.53%0.03141%0.405CS..PPolyproline II helixtrans-66.5146.5166.800000112.1D14 G16 K40D14-G69 PolarHBondContact O-N 3.3Å; G16-G69 VanDerWaalsContact CA-O 3.23Å; G16-G69 WeakPolarHBondContact CA-O 3.42Å; G16-G69 PolarHBondContact N-O 2.66Å; K40-G69 WeakPolarHBondContact O-CA 3.5Å
70E98.3Very high95.8Very high104 Ų10483.9 Ų83.949%0.48641%0.41SS..PPolyproline II helixtrans-73152.6-179.5-64.3-178.9177.700111.7G16 G38 G39 G79 K80G16-E70 WeakPolarHBondContact CA-O 3.34Å; G38-E70 WeakPolarHBondContact CA-O 3.39Å; G39-E70 PolarHBondContact N-O 3.01Å; E70-G79 WeakPolarHBondContact O-CA 3.09Å; E70-K80 HydrophobicContact CB-CB 4.42Å; E70-K80 HydrophobicContact CG-CB 4.14Å; E70-K80 PolarHBondContact N-O 3.06Å; E70-K80 WeakPolarHBondContact OE2-CB 3.31Å
71N98Very high96.4Very high80 Ų8080.7 Ų80.743%0.42840%0.404SS..PPolyproline II helixtrans-72149.8176.8-61.3-31.4000111N17 G79N17-N71 PolarHBondContact N-OD1 3.32Å; N17-N71 WeakPolarHBondContact O-CA 3.44Å; N71-G79 WeakPolarHBondContact O-CA 3.44Å
72G97.2Very high96.7Very high4 Ų476.5 Ų76.54%0.04139%0.388CS..PPolyproline II helixtrans-61.7150.1166.300000111N17 D37N17-G72 PolarHBondContact O-N 3.42Å; D37-G72 VanDerWaalsContact O-CA 3.28Å; D37-G72 WeakPolarHBondContact O-CA 3.3Å
73Q97.3Very high97Very high95 Ų9577 Ų7744%0.44440%0.397SS..  trans-117.8175.2179.5-62.8179.73700110.4I19 G36 M77I19-Q73 WeakPolarHBondContact CG2-O 2.97Å; G36-Q73 PolarHBondContact N-O 3.14Å; Q73-M77 HydrophobicContact CB-CB 3.83Å; Q73-M77 PolarHBondContact N-O 2.83Å
74S95.5Very high97Very high66 Ų6673.5 Ų73.546%0.46238%0.383SS..SBendtrans-65.2171.3174.458.50000111.4A34 N76 M77A34-S74 CarbonylContact O-C 3.38Å; S74-N76 VanDerWaalsContact C-N 3.27Å; S74-N76 PolarHBondContact O-N 3.22Å; S74-M77 WeakPolarHBondContact O-CB 3.49Å; S74-M77 WeakPolarHBondContact O-CG 3.39Å; S74-M77 PolarHBondContact O-N 3.5Å
75S93.9Very high97.1Very high92 Ų9275.2 Ų75.264%0.64339%0.392SS*.THydrogen-bonded Turntrans61.630.7-179.7-500000114.2A34 M77A34-S75 PolarHBondContact O-N 3.43Å; S75-M77 PolarHBondContact O-N 3.34Å
76N93.5Very high97.1Very high54 Ų5470.4 Ų70.429%0.28938%0.376SS..THydrogen-bonded Turntrans59.924.2-176-64.5-45000114.4A34 S74 H78 S127A34-N76 WeakPolarHBondContact CA-OD1 3.41Å; A34-N76 PolarHBondContact O-N 3.45Å; S74-N76 VanDerWaalsContact C-N 3.27Å; S74-N76 PolarHBondContact O-N 3.22Å; N76-H78 PolarHBondContact O-N 2.99Å; N76-S127 VanDerWaalsContact OD1-CB 3.27Å; N76-S127 WeakPolarHBondContact OD1-CB 3.35Å; N76-S127 PolarHBondContact OD1-OG 3.04Å
77M96.5Very high97Very high102 Ų10270.7 Ų70.750%0.50238%0.376SS..  trans-76.3113.8176.9-73.1-179.86700110.3Q73 S74 S75Q73-M77 HydrophobicContact CB-CB 3.83Å; Q73-M77 PolarHBondContact N-O 2.83Å; S74-M77 WeakPolarHBondContact O-CB 3.49Å; S74-M77 WeakPolarHBondContact O-CG 3.39Å; S74-M77 PolarHBondContact O-N 3.5Å; S75-M77 PolarHBondContact O-N 3.34Å
78H97.1Very high96.9Very high108 Ų10870.7 Ų70.750%0.537%0.367SS..PPolyproline II helixtrans-75.1144.8176.1-64.4-60.7000111.5D37 N76D37-H78 VanDerWaalsContact CB-ND1 3.3Å; D37-H78 WeakPolarHBondContact CB-ND1 3.42Å; D37-H78 VanDerWaalsContact CG-CE1 3.48Å; D37-H78 PolarHBondContact N-ND1 3.43Å; D37-H78 CarbonylContact O-C 3.58Å; D37-H78 VanDerWaalsContact O-CA 3.28Å; D37-H78 WeakPolarHBondContact O-CA 3.18Å; D37-H78 IonicContact OD2-CE1 2.76Å; D37-H78 PolarHBondContact OD2-CE1 3.28Å; D37-H78 VanDerWaalsContact OD2-CE1 3.24Å; D37-H78 IonicContact OD2-ND1 3.38Å; N76-H78 PolarHBondContact O-N 2.99Å
79G97.4Very high96.6Very high9 Ų966 Ų669%0.09335%0.346CS..PPolyproline II helixtrans-69.9145.3173.900000112.2D37 G39 E70 N71D37-G79 PolarHBondContact O-N 2.93Å; G39-G79 VanDerWaalsContact CA-O 3.27Å; G39-G79 WeakPolarHBondContact CA-O 3.19Å; E70-G79 WeakPolarHBondContact O-CA 3.09Å; N71-G79 WeakPolarHBondContact O-CA 3.44Å
80K97.9Very high95.9Very high130 Ų13066 Ų6657%0.56535%0.346SS*.PPolyproline II helixtrans-65.8140.9176-165.5-174.4171.3-172.70111.4E70E70-K80 HydrophobicContact CB-CB 4.42Å; E70-K80 HydrophobicContact CG-CB 4.14Å; E70-K80 PolarHBondContact N-O 3.06Å; E70-K80 WeakPolarHBondContact OE2-CB 3.31Å
81N97.8Very high95.1Very high103 Ų10362.4 Ų62.455%0.55133%0.332SS*.PPolyproline II helixtrans-71.2141.5169.8-61.8-30.7000110.4K40K40-N81 HydrophobicContact CB-CB 4.34Å; K40-N81 WeakPolarHBondContact CB-OD1 3.38Å; K40-N81 PolarHBondContact N-OD1 3.12Å; K40-N81 WeakPolarHBondContact O-CA 3.31Å
82A97.6Very high94.1Very high21 Ų2158.8 Ų58.817%0.17431%0.313CS..PPolyproline II helixtrans-80.7146.6172.300000111.2K40 A42 S67K40-A82 PolarHBondContact O-N 2.76Å; A42-A82 HydrophobicContact CB-CB 3.81Å; S67-A82 WeakPolarHBondContact O-CB 3.33Å
83E97.6Very high93.5Very high158 Ų15858.6 Ų58.674%0.73831%0.311SS*.PPolyproline II helixtrans-77.8135.2175.6-68.9173-164.700110.2A42A42-E83 WeakPolarHBondContact CB-O 3.28Å
84D97.4Very high92.9Very high66 Ų6654.5 Ų54.535%0.35329%0.292SS..PPolyproline II helixtrans-59.8138.9-178.2-70-25.5000111.2S43 V45 V86S43-D84 WeakPolarHBondContact CB-OD1 3.34Å; S43-D84 PolarHBondContact N-OD1 3.36Å; S43-D84 CarbonylContact O-C 3.55Å; S43-D84 WeakPolarHBondContact O-CA 3.32Å; S43-D84 PolarHBondContact OG-OD1 3.19Å; V45-D84 HydrophobicContact CG2-CB 3.97Å; D84-V86 PolarHBondContact O-N 3.18Å
85L97.5Very high92.6Very high49 Ų4951.3 Ų51.326%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-78.9109.5174.1176.262000108.8S43 V44 V45 F64 A66 L87S43-L85 PolarHBondContact O-N 2.86Å; V44-L85 HydrophobicContact CG2-CD2 4.47Å; V45-L85 PolarHBondContact N-O 3.42Å; F64-L85 HydrophobicContact CB-CD2 3.99Å; A66-L85 HydrophobicContact CB-CB 3.69Å; A66-L85 HydrophobicContact CB-CD2 4.29Å; L85-L87 HydrophobicContact CD1-CD2 4.21Å; L85-L87 HydrophobicContact CD2-CD2 4.22Å; L85-L87 HydrophobicContact CG-CD2 3.96Å; L85-L87 HydrophobicContact CG-CG 4.39Å
86V97.2Very high92.3Very high51 Ų5148.6 Ų48.631%0.30925%0.246SC..EExtended strand (participates in β ladder)trans-92.1121.7178-175.50000110.1V45 E47 D84 K88 R113V45-V86 CarbonylContact O-C 3.51Å; V45-V86 VanDerWaalsContact O-CA 3.3Å; V45-V86 WeakPolarHBondContact O-CA 3.37Å; E47-V86 HydrophobicContact CB-CG1 3.67Å; E47-V86 HydrophobicContact CG-CG1 4.48Å; E47-V86 WeakPolarHBondContact OE2-CG1 3.34Å; D84-V86 PolarHBondContact O-N 3.18Å; V86-K88 HydrophobicContact CG1-CD 4.24Å; V86-R113 VanDerWaalsContact CG2-NH2 3.33Å
87L96.3Very high92.1Very high11 Ų1147.1 Ų47.16%0.05824%0.238CC..EExtended strand (participates in β ladder)trans-108.2110.5176.2-57.7-177.5000108.9L10 V44 V45 F46 E47 F58 F64 L85L10-L87 HydrophobicContact CD2-CD1 3.96Å; V44-L87 HydrophobicContact CG1-CD1 3.61Å; V44-L87 HydrophobicContact CG1-CG 4.11Å; V45-L87 PolarHBondContact O-N 3.36Å; F46-L87 WeakPolarHBondContact CA-O 3.34Å; F46-L87 HydrophobicContact CD1-CB 3.95Å; F46-L87 HydrophobicContact CE1-CB 3.87Å; F46-L87 HydrophobicContact CE1-CD1 4.01Å; F46-L87 HydrophobicContact CE2-CD1 4.01Å; F46-L87 HydrophobicContact CG-CB 4.4Å; F46-L87 HydrophobicContact CZ-CB 4.25Å; F46-L87 HydrophobicContact CZ-CD1 3.59Å; E47-L87 PolarHBondContact N-O 3.17Å; F58-L87 HydrophobicContact CE1-CB 4.17Å; F58-L87 HydrophobicContact CE1-CD1 4.35Å; F58-L87 HydrophobicContact CZ-CB 4.28Å; F64-L87 HydrophobicContact CB-CD1 4.05Å; F64-L87 HydrophobicContact CD1-CD1 3.94Å; F64-L87 HydrophobicContact CD1-CD2 3.36Å; F64-L87 HydrophobicContact CD1-CG 4.32Å; F64-L87 HydrophobicContact CD2-CD1 4.16Å; F64-L87 HydrophobicContact CE1-CD1 4.43Å; F64-L87 HydrophobicContact CE1-CD2 3.65Å; F64-L87 HydrophobicContact CG-CD1 3.77Å; F64-L87 HydrophobicContact CG-CD2 4.06Å; L85-L87 HydrophobicContact CD1-CD2 4.21Å; L85-L87 HydrophobicContact CD2-CD2 4.22Å; L85-L87 HydrophobicContact CG-CD2 3.96Å; L85-L87 HydrophobicContact CG-CG 4.39Å
88K95.2Very high91.8Very high80 Ų8044.5 Ų44.535%0.34823%0.228SC..EExtended strand (participates in β ladder)trans-74.5134.1180-62.3-60.5-158.1147.80110.8E47 D49 L52 F58 V86E47-K88 HydrophobicContact CB-CD 4.07Å; E47-K88 HydrophobicContact CG-CD 4.23Å; E47-K88 CarbonylContact O-C 3.58Å; E47-K88 VanDerWaalsContact O-CA 3.3Å; E47-K88 WeakPolarHBondContact O-CA 3.43Å; E47-K88 IonicContact OE1-NZ 3.96Å; E47-K88 PolarHBondContact OE1-NZ 3.31Å; D49-K88 HydrophobicContact CB-CB 4.22Å; D49-K88 HydrophobicContact CB-CD 4.21Å; L52-K88 HydrophobicContact CD1-CB 3.54Å; F58-K88 WeakPolarHBondContact CE2-O 3.35Å; F58-K88 VanDerWaalsContact CZ-O 3.27Å; F58-K88 WeakPolarHBondContact CZ-O 3.06Å; V86-K88 HydrophobicContact CG1-CD 4.24Å
89V91.5Very high91.4Very high0 Ų047.2 Ų47.20%024%0.241CC..EExtended strand (participates in β ladder)trans-134.4151.9178.3-74.20000111.7F46 E47 V48 D49 L55 F58 T93 L107 L153F46-V89 HydrophobicContact CB-CG2 4.45Å; F46-V89 HydrophobicContact CD1-CG1 3.57Å; F46-V89 HydrophobicContact CD1-CG2 4.27Å; F46-V89 HydrophobicContact CE1-CG1 3.96Å; E47-V89 PolarHBondContact O-N 3.37Å; V48-V89 WeakPolarHBondContact CA-O 3.24Å; D49-V89 PolarHBondContact N-O 2.92Å; L55-V89 HydrophobicContact CD2-CB 4.5Å; L55-V89 HydrophobicContact CD2-CG1 4.11Å; F58-V89 HydrophobicContact CE2-CG1 3.59Å; F58-V89 HydrophobicContact CZ-CG1 3.54Å; V89-T93 HydrophobicContact CB-CG2 4.15Å; V89-T93 HydrophobicContact CG1-CG2 4.21Å; V89-T93 HydrophobicContact CG2-CG2 4.36Å; V89-L107 HydrophobicContact CG2-CD1 3.72Å; V89-L153 HydrophobicContact CG1-CD1 4.37Å
90P83.1Confident90.8Very high3 Ų350.8 Ų50.82%0.01926%0.261CS..  trans-59.6152.5170.6-2233000112.6L52 L55 T93 L155L52-P90 HydrophobicContact CB-CB 4.36Å; L52-P90 HydrophobicContact CB-CG 3.87Å; L52-P90 WeakPolarHBondContact O-CA 3.11Å; L52-P90 VanDerWaalsContact O-CB 3.24Å; L52-P90 WeakPolarHBondContact O-CB 3.37Å; L55-P90 HydrophobicContact CD2-CG 4.41Å; P90-T93 WeakPolarHBondContact O-CB 3.19Å; P90-T93 PolarHBondContact O-N 3.1Å; P90-T93 PolarHBondContact O-OG1 3.08Å; P90-L155 HydrophobicContact CB-CD1 3.78Å; P90-L155 HydrophobicContact CB-CD2 4.18Å; P90-L155 HydrophobicContact CG-CD1 4.45Å; P90-L155 HydrophobicContact CG-CD2 4.23Å
91P80.9Confident90.1Very high29 Ų2950 Ų5019%0.18826%0.263CS..THydrogen-bonded Turntrans-60.9145.7169.926.4-34.5000111.3V48 E50 V108 L155V48-P91 HydrophobicContact CG1-CB 3.79Å; V48-P91 HydrophobicContact CG1-CG 4.46Å; E50-P91 HydrophobicContact CG-CG 4.46Å; P91-V108 WeakPolarHBondContact CB-O 2.93Å; P91-L155 VanDerWaalsContact O-CD1 3.26Å; P91-L155 WeakPolarHBondContact O-CD1 3.1Å
92G78.4Confident89.4Confident4 Ų449 Ų494%0.04126%0.255CS..THydrogen-bonded Turntrans83.513.4-173.500000114.2L107 K156G92-L107 CarbonylContact C-O 3.48Å; G92-L107 WeakPolarHBondContact CA-O 3.12Å; G92-L107 PolarHBondContact N-O 3.38Å; G92-K156 WeakPolarHBondContact O-CB 3.24Å; G92-K156 PolarHBondContact O-N 3.46Å
93T84.9Confident88.7Confident0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-80122.7178.4-62.70000111L55 V89 P90 I95 L107 L153L55-T93 HydrophobicContact CD2-CG2 4.28Å; V89-T93 HydrophobicContact CB-CG2 4.15Å; V89-T93 HydrophobicContact CG1-CG2 4.21Å; V89-T93 HydrophobicContact CG2-CG2 4.36Å; P90-T93 WeakPolarHBondContact O-CB 3.19Å; P90-T93 PolarHBondContact O-N 3.1Å; P90-T93 PolarHBondContact O-OG1 3.08Å; T93-I95 HydrophobicContact CG2-CG1 4.44Å; T93-L107 PolarHBondContact N-O 3.49Å; T93-L107 WeakPolarHBondContact O-CB 3.36Å; T93-L107 PolarHBondContact O-N 3.03Å; T93-L153 HydrophobicContact CG2-CB 4.28Å; T93-L153 HydrophobicContact CG2-CD2 4.42Å
94I83.8Confident88.2Confident8 Ų844.7 Ų44.74%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-95.9134.9168.9-66.6-167.3000109.9K96 V103 A105 D106 L153 E154 K156I94-K96 HydrophobicContact CG2-CD 4.41Å; I94-K96 HydrophobicContact CG2-CG 3.74Å; I94-V103 HydrophobicContact CG2-CG1 3.95Å; I94-V103 HydrophobicContact CG2-CG2 4.42Å; I94-A105 WeakPolarHBondContact CA-O 3.47Å; I94-D106 HydrophobicContact CG1-CB 4.42Å; I94-L153 CarbonylContact O-C 3.58Å; I94-L153 WeakPolarHBondContact O-CA 3.5Å; I94-E154 HydrophobicContact CB-CB 4.43Å; I94-E154 PolarHBondContact N-O 3.41Å; I94-E154 PolarHBondContact O-N 2.93Å; I94-K156 HydrophobicContact CD1-CD 3.38Å; I94-K156 HydrophobicContact CD1-CG 4.17Å; I94-K156 HydrophobicContact CG1-CD 3.95Å; I94-K156 HydrophobicContact CG1-CG 4.47Å
95I90Very high87.6Confident0 Ų041.7 Ų41.70%022%0.22CC..EExtended strand (participates in β ladder)trans-111.1121.2175.5-48.8-173.3000108F46 T93 L104 A105 L107 V116 V151 S152 L153F46-I95 HydrophobicContact CB-CD1 3.6Å; F46-I95 HydrophobicContact CD1-CD1 3.66Å; F46-I95 HydrophobicContact CD2-CD1 3.52Å; F46-I95 HydrophobicContact CE1-CD1 4.19Å; F46-I95 HydrophobicContact CE2-CD1 4.05Å; F46-I95 HydrophobicContact CG-CD1 3.27Å; F46-I95 HydrophobicContact CZ-CD1 4.35Å; T93-I95 HydrophobicContact CG2-CG1 4.44Å; I95-L104 HydrophobicContact CG2-CB 4.43Å; I95-L104 HydrophobicContact CG2-CD1 4.42Å; I95-L104 PolarHBondContact O-N 2.76Å; I95-A105 HydrophobicContact CB-CB 4.25Å; I95-A105 HydrophobicContact CD1-CB 4.25Å; I95-A105 HydrophobicContact CG1-CB 4.3Å; I95-A105 PolarHBondContact N-O 3.28Å; I95-A105 PolarHBondContact O-N 3.06Å; I95-L107 HydrophobicContact CD1-CD1 3.82Å; I95-L107 HydrophobicContact CG1-CD1 4.47Å; I95-V116 HydrophobicContact CD1-CG2 3.7Å; I95-V116 HydrophobicContact CG2-CG1 3.99Å; I95-V116 HydrophobicContact CG2-CG2 4.15Å; I95-V151 HydrophobicContact CG2-CB 3.91Å; I95-V151 HydrophobicContact CG2-CG1 4.14Å; I95-V151 HydrophobicContact CG2-CG2 4.13Å; I95-S152 WeakPolarHBondContact CA-O 3.28Å; I95-L153 HydrophobicContact CB-CD2 4.24Å; I95-L153 HydrophobicContact CD1-CD2 4.14Å; I95-L153 HydrophobicContact CG1-CD2 3.72Å; I95-L153 HydrophobicContact CG2-CD2 4Å
96K86.4Confident87Confident34 Ų3442.1 Ų42.115%0.14822%0.223CC..EExtended strand (participates in β ladder)trans-122149.3175.8-50.5179.9177.7161.40111.5I94 E102 V103 V151 S152 E154I94-K96 HydrophobicContact CG2-CD 4.41Å; I94-K96 HydrophobicContact CG2-CG 3.74Å; K96-E102 CarbonylContact C-O 3.55Å; K96-E102 WeakPolarHBondContact CA-O 3.34Å; K96-V103 HydrophobicContact CD-CG2 4.48Å; K96-V103 HydrophobicContact CG-CG2 4.18Å; K96-V151 CarbonylContact O-C 3.5Å; K96-V151 WeakPolarHBondContact O-CA 3.38Å; K96-V151 VanDerWaalsContact O-CB 3.31Å; K96-V151 WeakPolarHBondContact O-CB 3.36Å; K96-S152 PolarHBondContact N-O 2.71Å; K96-S152 PolarHBondContact O-N 2.67Å; K96-E154 WeakPolarHBondContact CE-OE2 3.16Å; K96-E154 IonicContact NZ-OE1 2.76Å; K96-E154 IonicContact NZ-OE2 3.31Å; K96-E154 PolarHBondContact NZ-OE2 3.41Å
97N88.8Confident86.4Confident23 Ų2339.7 Ų39.712%0.12321%0.208CC..EExtended strand (participates in β ladder)trans-72.4129.7168.8-176.5-52.2000109.6E99 T100 D101 E102 L104N97-E99 VanDerWaalsContact C-N 3.31Å; N97-E99 PolarHBondContact O-N 3.29Å; N97-E99 WeakPolarHBondContact OD1-CA 3.24Å; N97-E99 WeakPolarHBondContact OD1-CB 2.99Å; N97-E99 PolarHBondContact OD1-N 3.06Å; N97-T100 WeakPolarHBondContact CB-OG1 3.33Å; N97-T100 PolarHBondContact OD1-N 2.77Å; N97-D101 WeakPolarHBondContact O-CA 3.43Å; N97-D101 PolarHBondContact O-N 3.28Å; N97-E102 PolarHBondContact N-O 2.55Å; N97-L104 HydrophobicContact CB-CD1 4.15Å; N97-L104 HydrophobicContact CB-CD2 4.32Å; N97-L104 HydrophobicContact CB-CG 4.31Å
98V91.1Very high85.5Confident48 Ų4841.1 Ų41.129%0.29122%0.217SC..THydrogen-bonded Turntrans-68.8-29.6-176.7172.70000112.9K7 D150 V151K7-V98 HydrophobicContact CD-CG1 4.32Å; K7-V98 HydrophobicContact CD-CG2 4.19Å; K7-V98 HydrophobicContact CG-CG2 4.31Å; V98-D150 HydrophobicContact CB-CB 3.95Å; V98-D150 HydrophobicContact CG2-CB 4.01Å; V98-D150 PolarHBondContact N-O 3.09Å; V98-V151 VanDerWaalsContact CG2-C 3.46Å
99E89Confident84.6Confident165 Ų16542.5 Ų42.577%0.77123%0.225SC*.THydrogen-bonded Turntrans-82-42.9-178-58.5-175.8162.400112N97N97-E99 VanDerWaalsContact C-N 3.31Å; N97-E99 PolarHBondContact O-N 3.29Å; N97-E99 WeakPolarHBondContact OD1-CA 3.24Å; N97-E99 WeakPolarHBondContact OD1-CB 2.99Å; N97-E99 PolarHBondContact OD1-N 3.06Å
100T85.2Confident84.1Confident84 Ų8447 Ų4752%0.51525%0.249SC..THydrogen-bonded Turntrans-99.4-10.7-174.465.50000114.2N97 E102N97-T100 WeakPolarHBondContact CB-OG1 3.33Å; N97-T100 PolarHBondContact OD1-N 2.77Å; T100-E102 PolarHBondContact O-N 2.94Å; T100-E102 VanDerWaalsContact O-N 3.07Å; T100-E102 VanDerWaalsContact OG1-CB 3.3Å; T100-E102 WeakPolarHBondContact OG1-CB 3.1Å; T100-E102 PolarHBondContact OG1-N 3.32Å
101D82Confident84.3Confident112 Ų11248.6 Ų48.660%0.59927%0.266SS*.  trans55.814.1-169.5-159.638.7000113.6N97N97-D101 WeakPolarHBondContact O-CA 3.43Å; N97-D101 PolarHBondContact O-N 3.28Å
102E83Confident84.5Confident83 Ų8348.4 Ų48.439%0.38826%0.263SS..  trans-72133.9178.5-178.3171.7-158.500110.7K96 N97 T100 L104K96-E102 CarbonylContact C-O 3.55Å; K96-E102 WeakPolarHBondContact CA-O 3.34Å; N97-E102 PolarHBondContact N-O 2.55Å; T100-E102 PolarHBondContact O-N 2.94Å; T100-E102 VanDerWaalsContact O-N 3.07Å; T100-E102 VanDerWaalsContact OG1-CB 3.3Å; T100-E102 WeakPolarHBondContact OG1-CB 3.1Å; T100-E102 PolarHBondContact OG1-N 3.32Å; E102-L104 PolarHBondContact O-N 2.67Å
103V83.3Confident85.3Confident46 Ų4654.5 Ų54.528%0.27928%0.284SS..EExtended strand (participates in β ladder)trans-74.2112.7173-178.10000109.4I94 K96I94-V103 HydrophobicContact CG2-CG1 3.95Å; I94-V103 HydrophobicContact CG2-CG2 4.42Å; K96-V103 HydrophobicContact CD-CG2 4.48Å; K96-V103 HydrophobicContact CG-CG2 4.18Å
104L86.4Confident85.6Confident43 Ų4354.6 Ų54.623%0.22529%0.285CS..EExtended strand (participates in β ladder)trans-84.3-37.3178.5-57.1177.8000111.5I95 N97 E102 V116 L149 V151I95-L104 HydrophobicContact CG2-CB 4.43Å; I95-L104 HydrophobicContact CG2-CD1 4.42Å; I95-L104 PolarHBondContact O-N 2.76Å; N97-L104 HydrophobicContact CB-CD1 4.15Å; N97-L104 HydrophobicContact CB-CD2 4.32Å; N97-L104 HydrophobicContact CB-CG 4.31Å; E102-L104 PolarHBondContact O-N 2.67Å; L104-V116 HydrophobicContact CD1-CG1 3.85Å; L104-L149 HydrophobicContact CD1-CD1 3.64Å; L104-V151 HydrophobicContact CD1-CG1 3.84Å
105A86.6Confident86.1Confident3 Ų356.9 Ų56.93%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-153.8148.7178.300000111.6I94 I95 L107 A114I94-A105 WeakPolarHBondContact CA-O 3.47Å; I95-A105 HydrophobicContact CB-CB 4.25Å; I95-A105 HydrophobicContact CD1-CB 4.25Å; I95-A105 HydrophobicContact CG1-CB 4.3Å; I95-A105 PolarHBondContact N-O 3.28Å; I95-A105 PolarHBondContact O-N 3.06Å; A105-L107 HydrophobicContact CB-CG 4.32Å; A105-A114 HydrophobicContact CB-CB 3.66Å
106D84.8Confident86.3Confident57 Ų5757.5 Ų57.531%0.30530%0.303SS..EExtended strand (participates in β ladder)trans-123.4109.3166.9-166.7-9.8000106.6I94 Q112I94-D106 HydrophobicContact CG1-CB 4.42Å; D106-Q112 PolarHBondContact O-NE2 3.47Å
107L83.2Confident86.7Confident1 Ų155.9 Ų55.91%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-107.2114.3-170.1-69.5176000109.2F46 V48 V89 G92 T93 I95 A105 Q112 A114F46-L107 HydrophobicContact CB-CD1 3.53Å; V48-L107 HydrophobicContact CG2-CB 3.59Å; V48-L107 HydrophobicContact CG2-CD2 4.43Å; V48-L107 HydrophobicContact CG2-CG 4.43Å; V89-L107 HydrophobicContact CG2-CD1 3.72Å; G92-L107 CarbonylContact C-O 3.48Å; G92-L107 WeakPolarHBondContact CA-O 3.12Å; G92-L107 PolarHBondContact N-O 3.38Å; T93-L107 PolarHBondContact N-O 3.49Å; T93-L107 WeakPolarHBondContact O-CB 3.36Å; T93-L107 PolarHBondContact O-N 3.03Å; I95-L107 HydrophobicContact CD1-CD1 3.82Å; I95-L107 HydrophobicContact CG1-CD1 4.47Å; A105-L107 HydrophobicContact CB-CG 4.32Å; L107-Q112 HydrophobicContact CD2-CB 4.42Å; L107-Q112 HydrophobicContact CD2-CG 3.98Å; L107-A114 HydrophobicContact CD2-CB 3.78Å
108V77.3Confident87Confident40 Ų4060.3 Ų60.324%0.24231%0.314CS..  trans-129.8-43.9-167.5-174.40000112.4P91P91-V108 WeakPolarHBondContact CB-O 2.93Å
109E77.1Confident87.2Confident109 Ų10958.5 Ų58.551%0.50931%0.306SS..SBendtrans-85.4144.3-175.9-66.6170-167.400110.9V48 Q112V48-E109 WeakPolarHBondContact CB-O 3.22Å; V48-E109 WeakPolarHBondContact CG1-O 3.13Å; V48-E109 VanDerWaalsContact CG2-O 3.26Å; V48-E109 WeakPolarHBondContact CG2-O 3.1Å; E109-Q112 HydrophobicContact CB-CB 4.16Å; E109-Q112 VanDerWaalsContact N-OE1 3.12Å; E109-Q112 WeakPolarHBondContact O-CB 3.37Å; E109-Q112 PolarHBondContact O-N 2.87Å; E109-Q112 VanDerWaalsContact O-N 3.1Å
110D80.7Confident87.6Confident95 Ų9550.8 Ų50.851%0.50827%0.27SS..THydrogen-bonded Turntrans-59.3141.1177.3-169.448.9000112E50 Q112E50-D110 HydrophobicContact CG-CB 3.82Å; E50-D110 PolarHBondContact N-OD1 3.02Å; E50-D110 VanDerWaalsContact N-OD1 3.08Å; D110-Q112 PolarHBondContact O-N 3.08Å
111G87.2Confident88.1Confident37 Ų3752.6 Ų52.638%0.38127%0.267SS..THydrogen-bonded Turntrans64.92.3-175.900000115V48 R113V48-G111 PolarHBondContact O-N 2.86Å; G111-R113 WeakPolarHBondContact O-CG 3.29Å; G111-R113 PolarHBondContact O-N 3.19Å
112Q85.4Confident88.8Confident25 Ų2547.8 Ų47.812%0.11724%0.244CC..  trans-62.3130.3175.6-171.7-172-3.700109.9E47 V48 D106 L107 E109 D110E47-Q112 VanDerWaalsContact CA-O 3.32Å; E47-Q112 WeakPolarHBondContact CA-O 3.33Å; V48-Q112 HydrophobicContact CG2-CB 4.06Å; V48-Q112 PolarHBondContact N-O 3.49Å; D106-Q112 PolarHBondContact O-NE2 3.47Å; L107-Q112 HydrophobicContact CD2-CB 4.42Å; L107-Q112 HydrophobicContact CD2-CG 3.98Å; E109-Q112 HydrophobicContact CB-CB 4.16Å; E109-Q112 VanDerWaalsContact N-OE1 3.12Å; E109-Q112 WeakPolarHBondContact O-CB 3.37Å; E109-Q112 PolarHBondContact O-N 2.87Å; E109-Q112 VanDerWaalsContact O-N 3.1Å; D110-Q112 PolarHBondContact O-N 3.08Å
113R94.3Very high89.5Confident131 Ų13143.8 Ų43.849%0.49423%0.225SC..EExtended strand (participates in β ladder)trans-114.9137.3-176.9-59.4178.389.1-158.3-2.9111.8V45 F46 E47 V86 G111V45-R113 HydrophobicContact CG1-CB 3.98Å; F46-R113 CarbonylContact O-C 3.52Å; F46-R113 VanDerWaalsContact O-CA 3.24Å; F46-R113 WeakPolarHBondContact O-CA 3.09Å; E47-R113 HydrophobicContact CB-CG 4.08Å; E47-R113 HydrophobicContact CG-CG 3.78Å; E47-R113 WeakPolarHBondContact OE2-CD 3.29Å; E47-R113 IonicContact OE2-CZ 3.35Å; E47-R113 IonicContact OE2-NE 2.71Å; E47-R113 PolarHBondContact OE2-NE 3.17Å; E47-R113 IonicContact OE2-NH2 3.08Å; V86-R113 VanDerWaalsContact CG2-NH2 3.33Å; G111-R113 WeakPolarHBondContact O-CG 3.29Å; G111-R113 PolarHBondContact O-N 3.19Å
114A92.4Very high90.1Very high2 Ų245.1 Ų45.12%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-131.7125.7171.500000111.5V45 F46 A105 L107 V116V45-A114 CarbonylContact C-O 3.42Å; V45-A114 WeakPolarHBondContact CA-O 3.38Å; F46-A114 PolarHBondContact N-O 3.19Å; F46-A114 PolarHBondContact O-N 3Å; A105-A114 HydrophobicContact CB-CB 3.66Å; L107-A114 HydrophobicContact CD2-CB 3.78Å; A114-V116 PolarHBondContact O-N 3.27Å
115V94.6Very high90.6Very high57 Ų5743 Ų4335%0.34522%0.215SC..EExtended strand (participates in β ladder)trans-78.6113171.1-177.70000108.4V45 K118V45-V115 HydrophobicContact CG2-CG2 4.08Å; V115-K118 HydrophobicContact CG1-CG 4Å
116V93.7Very high91.1Very high13 Ų1342.9 Ų42.98%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-100.3-33.7-176.6176.30000112L10 V44 F46 I95 L104 A114 L149 V151L10-V116 HydrophobicContact CD1-CB 4.23Å; L10-V116 HydrophobicContact CD1-CG1 3.62Å; V44-V116 PolarHBondContact O-N 3.42Å; F46-V116 HydrophobicContact CD2-CB 3.91Å; F46-V116 HydrophobicContact CD2-CG2 3.4Å; F46-V116 VanDerWaalsContact CD2-CG2 3.4Å; F46-V116 HydrophobicContact CE2-CB 4.01Å; F46-V116 HydrophobicContact CE2-CG1 4.31Å; F46-V116 HydrophobicContact CE2-CG2 3.91Å; F46-V116 HydrophobicContact CG-CG2 4.33Å; I95-V116 HydrophobicContact CD1-CG2 3.7Å; I95-V116 HydrophobicContact CG2-CG1 3.99Å; I95-V116 HydrophobicContact CG2-CG2 4.15Å; L104-V116 HydrophobicContact CD1-CG1 3.85Å; A114-V116 PolarHBondContact O-N 3.27Å; V116-L149 HydrophobicContact CG1-CD1 4.5Å; V116-V151 HydrophobicContact CG1-CG1 3.88Å
117A94.2Very high91.6Very high0 Ų041.8 Ų41.80%021%0.21CC..EExtended strand (participates in β ladder)trans-130.3119.3173.300000109.3L10 A12 S43 V44 E147 L149L10-A117 HydrophobicContact CB-CB 4.43Å; A12-A117 HydrophobicContact CB-CB 3.95Å; S43-A117 CarbonylContact C-O 3.48Å; S43-A117 VanDerWaalsContact CA-O 3.29Å; S43-A117 WeakPolarHBondContact CA-O 2.95Å; S43-A117 WeakPolarHBondContact CB-O 3.29Å; V44-A117 HydrophobicContact CB-CB 4Å; V44-A117 HydrophobicContact CG2-CB 4.11Å; V44-A117 PolarHBondContact N-O 3.39Å; V44-A117 PolarHBondContact O-N 2.88Å; A117-E147 HydrophobicContact CB-CB 4.24Å; A117-L149 HydrophobicContact CB-CD2 3.57Å
118K95.4Very high92.1Very high115 Ų11549.2 Ų49.250%0.524%0.238SC..PPolyproline II helixtrans-78.6133.5-178.3-67.2173.9-179.9165.80111.7A12 V115 E147A12-K118 VanDerWaalsContact CB-C 3.48Å; A12-K118 WeakPolarHBondContact CB-O 3.37Å; V115-K118 HydrophobicContact CG1-CG 4Å; K118-E147 HydrophobicContact CB-CG 4.28Å; K118-E147 PolarHBondContact N-OE2 3.47Å; K118-E147 PolarHBondContact O-N 3.35Å
119G96Very high92.9Very high11 Ų1148.4 Ų48.411%0.11323%0.231CC..PPolyproline II helixtrans-65.5142.5169.800000111.9G13 G41 A42 S43G13-G119 WeakPolarHBondContact O-CA 3.47Å; G41-G119 WeakPolarHBondContact O-CA 3.49Å; A42-G119 WeakPolarHBondContact O-CA 3.44Å; S43-G119 PolarHBondContact OG-N 3.06Å
120G96.1Very high93.7Very high2 Ų245.3 Ų45.32%0.02122%0.224CC..PPolyproline II helixtrans-67.2142.3-179.700000112.6G13 G15 G41 E144G13-G120 PolarHBondContact O-N 3.08Å; G15-G120 WeakPolarHBondContact CA-O 3.21Å; G15-G120 PolarHBondContact N-O 2.71Å; G41-G120 PolarHBondContact N-O 2.82Å; G120-E144 WeakPolarHBondContact CA-O 3.49Å
121R96.2Very high94.3Very high123 Ų12344.1 Ų44.146%0.46422%0.22SC..PPolyproline II helixtrans-68.7138.5173.1-173.3-170.9165.7178.31.4111.1E144R121-E144 HydrophobicContact CB-CB 4.26Å; R121-E144 VanDerWaalsContact CB-OE2 3.23Å; R121-E144 WeakPolarHBondContact CB-OE2 3.31Å; R121-E144 PolarHBondContact N-OE2 2.67Å; R121-E144 WeakPolarHBondContact O-CB 3.41Å; R121-E144 PolarHBondContact O-N 3.17Å
122G97.1Very high94.5Very high10 Ų1048.9 Ų48.910%0.10325%0.245CC..PPolyproline II helixtrans-59.5137.7169.300000113.3G16 G38 G39G16-G122 WeakPolarHBondContact O-CA 3.48Å; G38-G122 WeakPolarHBondContact O-CA 3.4Å; G39-G122 VanDerWaalsContact O-CA 3.25Å; G39-G122 WeakPolarHBondContact O-CA 3.4Å
123G96.8Very high94.8Very high0 Ų059.4 Ų59.40%028%0.283CS..PPolyproline II helixtrans-72.5146.1176.900000111.5G16 G18 D37 G38 E141 K142G16-G123 PolarHBondContact O-N 2.87Å; G18-G123 WeakPolarHBondContact CA-O 3.34Å; G18-G123 PolarHBondContact N-O 2.97Å; D37-G123 CarbonylContact C-O 3.59Å; D37-G123 VanDerWaalsContact CA-O 3.3Å; D37-G123 WeakPolarHBondContact CA-O 3.5Å; G38-G123 PolarHBondContact N-O 2.93Å; G123-E141 WeakPolarHBondContact CA-O 3.41Å; G123-K142 WeakPolarHBondContact CA-O 3.43Å
124R96.5Very high94.7Very high73 Ų7356 Ų5628%0.27528%0.275SS..PPolyproline II helixtrans-78.6134.5180-72.7179.9-76.8-177.1-6.6112.3D37 R128 F129 S140 E141D37-R124 VanDerWaalsContact OD1-CA 3.31Å; D37-R124 WeakPolarHBondContact OD1-CA 2.91Å; R124-R128 HydrophobicContact CB-CB 4.01Å; R124-R128 HydrophobicContact CB-CG 4.26Å; R124-R128 HydrophobicContact CG-CB 4.22Å; R124-R128 HydrophobicContact CG-CG 4.21Å; R124-F129 HydrophobicContact CB-CE2 3.64Å; R124-F129 HydrophobicContact CB-CZ 3.59Å; R124-F129 HydrophobicContact CG-CZ 4.47Å; R124-S140 WeakPolarHBondContact O-CA 3.39Å; R124-S140 WeakPolarHBondContact O-CB 3.26Å; R124-E141 IonicContact CZ-OE1 3.21Å; R124-E141 IonicContact CZ-OE2 2.98Å; R124-E141 IonicContact NE-OE1 2.66Å; R124-E141 IonicContact NE-OE2 3.62Å; R124-E141 PolarHBondContact NE-OE2 3.18Å; R124-E141 IonicContact NH2-OE1 3.86Å; R124-E141 PolarHBondContact NH2-OE1 2.86Å; R124-E141 IonicContact NH2-OE2 2.75Å; R124-E141 PolarHBondContact NH2-OE2 2.83Å; R124-E141 PolarHBondContact O-N 3.04Å
125G96.6Very high94.6Very high0 Ų060.1 Ų60.10%030%0.302CS..PPolyproline II helixtrans-73.9166.5169.900000112I19 G36 D37 S127 R128 F129I19-G125 WeakPolarHBondContact O-CA 3.11Å; G36-G125 WeakPolarHBondContact O-CA 3.39Å; D37-G125 PolarHBondContact OD1-N 3.39Å; G125-S127 PolarHBondContact O-N 3.47Å; G125-S127 VanDerWaalsContact O-N 3.15Å; G125-R128 PolarHBondContact O-N 3.42Å; G125-R128 VanDerWaalsContact O-N 3.1Å; G125-F129 WeakPolarHBondContact O-CD2 3.36Å
126N96.7Very high94.5Very high0 Ų059.4 Ų59.40%030%0.302CS..G310 helixtrans-61.1-26.9-176.772.2-28.8000113.7I19 T20 A21 G35 R128 F129 P137 F139I19-N126 PolarHBondContact O-N 3.37Å; I19-N126 VanDerWaalsContact O-N 3.09Å; T20-N126 HydrophobicContact CG2-CB 4.16Å; A21-N126 PolarHBondContact N-OD1 3.33Å; A21-N126 PolarHBondContact O-ND2 2.84Å; A21-N126 PolarHBondContact O-OD1 3.49Å; G35-N126 WeakPolarHBondContact CA-OD1 3.37Å; G35-N126 PolarHBondContact N-OD1 3.04Å; N126-R128 VanDerWaalsContact C-N 3.26Å; N126-R128 PolarHBondContact O-N 3.2Å; N126-F129 PolarHBondContact O-N 3.12Å; N126-F129 VanDerWaalsContact O-N 3.08Å; N126-P137 HydrophobicContact CB-CB 4.37Å; N126-P137 VanDerWaalsContact CB-O 3.3Å; N126-P137 WeakPolarHBondContact CB-O 3.16Å; N126-P137 PolarHBondContact ND2-O 3.36Å; N126-P137 WeakPolarHBondContact O-CG 3.17Å; N126-F139 VanDerWaalsContact CA-O 3.28Å; N126-F139 WeakPolarHBondContact CA-O 3.34Å; N126-F139 WeakPolarHBondContact CB-O 3.21Å
127S95.5Very high94.5Very high34 Ų3458.8 Ų58.824%0.23830%0.298CS..G310 helixtrans-61.3-30.3176.4-60.80000113.7P33 A34 G35 N76 G125 F129 A130P33-S127 VanDerWaalsContact C-OG 3.24Å; P33-S127 PolarHBondContact O-OG 2.96Å; A34-S127 PolarHBondContact N-OG 2.78Å; G35-S127 PolarHBondContact N-OG 3.24Å; G35-S127 WeakPolarHBondContact O-CB 3.48Å; G35-S127 PolarHBondContact O-OG 2.79Å; N76-S127 VanDerWaalsContact OD1-CB 3.27Å; N76-S127 WeakPolarHBondContact OD1-CB 3.35Å; N76-S127 PolarHBondContact OD1-OG 3.04Å; G125-S127 PolarHBondContact O-N 3.47Å; G125-S127 VanDerWaalsContact O-N 3.15Å; S127-F129 VanDerWaalsContact C-N 3.26Å; S127-F129 PolarHBondContact O-N 2.71Å; S127-A130 WeakPolarHBondContact O-CB 3.46Å; S127-A130 PolarHBondContact O-N 3.42Å
128R94.6Very high94.4Very high157 Ų15762.4 Ų62.459%0.59232%0.317SS*.G310 helixtrans-73.3-17176.3-74-67.7-165.4172.10.2113.8D37 R124 G125 N126D37-R128 WeakPolarHBondContact OD1-CG 3.13Å; D37-R128 IonicContact OD1-NE 2.82Å; D37-R128 WeakPolarHBondContact OD2-CG 3.22Å; D37-R128 IonicContact OD2-CZ 3.1Å; D37-R128 IonicContact OD2-NE 2.73Å; D37-R128 PolarHBondContact OD2-NE 3.1Å; D37-R128 IonicContact OD2-NH2 3.82Å; D37-R128 PolarHBondContact OD2-NH2 2.61Å; R124-R128 HydrophobicContact CB-CB 4.01Å; R124-R128 HydrophobicContact CB-CG 4.26Å; R124-R128 HydrophobicContact CG-CB 4.22Å; R124-R128 HydrophobicContact CG-CG 4.21Å; G125-R128 PolarHBondContact O-N 3.42Å; G125-R128 VanDerWaalsContact O-N 3.1Å; N126-R128 VanDerWaalsContact C-N 3.26Å; N126-R128 PolarHBondContact O-N 3.2Å
129F94.3Very high94.3Very high22 Ų2257.6 Ų57.610%0.09630%0.297CS..G310 helixtrans-97-2.9180-62.4-66.1000113R124 G125 N126 S127 T131 P137 F139 E141R124-F129 HydrophobicContact CB-CE2 3.64Å; R124-F129 HydrophobicContact CB-CZ 3.59Å; R124-F129 HydrophobicContact CG-CZ 4.47Å; G125-F129 WeakPolarHBondContact O-CD2 3.36Å; N126-F129 PolarHBondContact O-N 3.12Å; N126-F129 VanDerWaalsContact O-N 3.08Å; S127-F129 VanDerWaalsContact C-N 3.26Å; S127-F129 PolarHBondContact O-N 2.71Å; F129-T131 PolarHBondContact O-N 3.02Å; F129-P137 HydrophobicContact CB-CB 3.93Å; F129-P137 HydrophobicContact CB-CG 3.75Å; F129-P137 WeakPolarHBondContact O-CG 3.32Å; F129-F139 HydrophobicContact CB-CE1 4.25Å; F129-F139 HydrophobicContact CB-CE2 4.04Å; F129-F139 HydrophobicContact CB-CZ 3.58Å; F129-F139 AromaticContact CD1-CE2 3.63Å; F129-F139 HydrophobicContact CD1-CE2 3.63Å; F129-F139 AromaticContact CD1-CZ 3.72Å; F129-F139 HydrophobicContact CD1-CZ 3.72Å; F129-F139 AromaticContact CD2-CD2 3.97Å; F129-F139 HydrophobicContact CD2-CD2 3.97Å; F129-F139 AromaticContact CD2-CE2 3.36Å; F129-F139 HydrophobicContact CD2-CE2 3.36Å; F129-F139 AromaticContact CD2-CZ 3.85Å; F129-F139 HydrophobicContact CD2-CZ 3.85Å; F129-F139 AromaticContact CE1-CE2 3.87Å; F129-F139 HydrophobicContact CE1-CE2 3.87Å; F129-F139 HydrophobicContact CE1-CZ 4.39Å; F129-F139 HydrophobicContact CE2-CD2 4.09Å; F129-F139 AromaticContact CE2-CE2 3.62Å; F129-F139 HydrophobicContact CE2-CE2 3.62Å; F129-F139 HydrophobicContact CG-CD2 4.37Å; F129-F139 HydrophobicContact CG-CE1 4.46Å; F129-F139 AromaticContact CG-CE2 3.37Å; F129-F139 HydrophobicContact CG-CE2 3.37Å; F129-F139 AromaticContact CG-CZ 3.42Å; F129-F139 HydrophobicContact CG-CZ 3.42Å; F129-F139 VanDerWaalsContact CG-CZ 3.42Å; F129-F139 AromaticContact CZ-CE2 3.87Å; F129-F139 HydrophobicContact CZ-CE2 3.87Å; F129-E141 HydrophobicContact CE2-CG 4.23Å; F129-E141 HydrophobicContact CZ-CG 3.68Å
130A93.5Very high94.3Very high44 Ų4458.2 Ų58.236%0.36430%0.299SS..  trans-63.2124.6-179.300000109.8P33 S127 N134 P137P33-A130 HydrophobicContact CG-CB 3.9Å; S127-A130 WeakPolarHBondContact O-CB 3.46Å; S127-A130 PolarHBondContact O-N 3.42Å; A130-N134 WeakPolarHBondContact CA-O 3.38Å; A130-P137 HydrophobicContact CB-CG 4.41Å
131T92.3Very high94.2Very high70 Ų7058.7 Ų58.743%0.42930%0.301SS..BIsolated β-bridgetrans-134.7163176.160.30000109.2F129 R133 N134 P135F129-T131 PolarHBondContact O-N 3.02Å; T131-R133 PolarHBondContact O-N 2.78Å; T131-N134 PolarHBondContact N-O 3.34Å; T131-N134 CarbonylContact O-C 3.57Å; T131-N134 PolarHBondContact O-N 2.88Å; T131-N134 VanDerWaalsContact O-O 3.09Å; T131-N134 PolarHBondContact OG1-N 2.66Å; T131-P135 WeakPolarHBondContact O-CA 3.37Å; T131-P135 VanDerWaalsContact O-N 3.1Å
132P92.3Very high94.2Very high138 Ų13856.2 Ų56.290%0.89629%0.293SS*.THydrogen-bonded Turntrans-55.8-27.3175.4-27.535.9000114
133R92Very high94.1Very high245 Ų24556.2 Ų56.293%0.92529%0.293SS*.THydrogen-bonded Turntrans-85.6-20.2176.8-65.3-177.8179.3173-0.4113.6T131T131-R133 PolarHBondContact O-N 2.78Å
134N91.3Very high94.1Very high60 Ų6057.9 Ų57.932%0.32130%0.301SS..BIsolated β-bridgetrans-143.180.2176-173.57.4000109.3A130 T131 A136A130-N134 WeakPolarHBondContact CA-O 3.38Å; T131-N134 PolarHBondContact N-O 3.34Å; T131-N134 CarbonylContact O-C 3.57Å; T131-N134 PolarHBondContact O-N 2.88Å; T131-N134 VanDerWaalsContact O-O 3.09Å; T131-N134 PolarHBondContact OG1-N 2.66Å; N134-A136 VanDerWaalsContact C-N 3.3Å; N134-A136 PolarHBondContact O-N 3.43Å
135P91.5Very high94.1Very high89 Ų8956.6 Ų56.658%0.57830%0.302SS*.SBendtrans-73.1-22.7-171.327.3-34.8000113.2P33 T131P33-P135 WeakPolarHBondContact CD-O 3.3Å; P33-P135 WeakPolarHBondContact CG-O 3.44Å; T131-P135 WeakPolarHBondContact O-CA 3.37Å; T131-P135 VanDerWaalsContact O-N 3.1Å
136A92.2Very high94Very high41 Ų4157.1 Ų57.134%0.33931%0.307SS..SBendtrans-130.574.118000000110.4Y22 N134Y22-A136 HydrophobicContact CE1-CB 4.08Å; N134-A136 VanDerWaalsContact C-N 3.3Å; N134-A136 PolarHBondContact O-N 3.43Å
137P93.6Very high93.9Very high0 Ų061.3 Ų61.30%033%0.327CS..  trans-61.2144.2177.4-17.430.1000111.4Y22 N126 F129 A130 F139Y22-P137 PolarHBondContact OH-O 3.31Å; N126-P137 HydrophobicContact CB-CB 4.37Å; N126-P137 VanDerWaalsContact CB-O 3.3Å; N126-P137 WeakPolarHBondContact CB-O 3.16Å; N126-P137 PolarHBondContact ND2-O 3.36Å; N126-P137 WeakPolarHBondContact O-CG 3.17Å; F129-P137 HydrophobicContact CB-CB 3.93Å; F129-P137 HydrophobicContact CB-CG 3.75Å; F129-P137 WeakPolarHBondContact O-CG 3.32Å; A130-P137 HydrophobicContact CB-CG 4.41Å; P137-F139 HydrophobicContact CB-CD1 4.14Å; P137-F139 HydrophobicContact CB-CE1 3.88Å
138D92.6Very high93.9Very high76 Ų7665.9 Ų65.941%0.40635%0.345SS..  trans-108.417.1-176.457-11.4000113Y22 P390Y22-D138 WeakPolarHBondContact OH-CA 3.22Å; Y22-D138 WeakPolarHBondContact OH-CB 3.42Å; D138-P390 WeakPolarHBondContact OD1-CB 3.41Å; D138-P390 VanDerWaalsContact OD1-CG 3.28Å; D138-P390 WeakPolarHBondContact OD1-CG 2.88Å; D138-P390 WeakPolarHBondContact OD2-CG 3.34Å
139F93.3Very high93.9Very high15 Ų1559.9 Ų59.97%0.06632%0.324CS..  trans-131.9159.9177.570.6-86.3000112.3T20 N126 F129 P137 P390 A391T20-F139 VanDerWaalsContact OG1-C 3.23Å; T20-F139 WeakPolarHBondContact OG1-CA 3.28Å; N126-F139 VanDerWaalsContact CA-O 3.28Å; N126-F139 WeakPolarHBondContact CA-O 3.34Å; N126-F139 WeakPolarHBondContact CB-O 3.21Å; F129-F139 HydrophobicContact CB-CE1 4.25Å; F129-F139 HydrophobicContact CB-CE2 4.04Å; F129-F139 HydrophobicContact CB-CZ 3.58Å; F129-F139 AromaticContact CD1-CE2 3.63Å; F129-F139 HydrophobicContact CD1-CE2 3.63Å; F129-F139 AromaticContact CD1-CZ 3.72Å; F129-F139 HydrophobicContact CD1-CZ 3.72Å; F129-F139 AromaticContact CD2-CD2 3.97Å; F129-F139 HydrophobicContact CD2-CD2 3.97Å; F129-F139 AromaticContact CD2-CE2 3.36Å; F129-F139 HydrophobicContact CD2-CE2 3.36Å; F129-F139 AromaticContact CD2-CZ 3.85Å; F129-F139 HydrophobicContact CD2-CZ 3.85Å; F129-F139 AromaticContact CE1-CE2 3.87Å; F129-F139 HydrophobicContact CE1-CE2 3.87Å; F129-F139 HydrophobicContact CE1-CZ 4.39Å; F129-F139 HydrophobicContact CE2-CD2 4.09Å; F129-F139 AromaticContact CE2-CE2 3.62Å; F129-F139 HydrophobicContact CE2-CE2 3.62Å; F129-F139 HydrophobicContact CG-CD2 4.37Å; F129-F139 HydrophobicContact CG-CE1 4.46Å; F129-F139 AromaticContact CG-CE2 3.37Å; F129-F139 HydrophobicContact CG-CE2 3.37Å; F129-F139 AromaticContact CG-CZ 3.42Å; F129-F139 HydrophobicContact CG-CZ 3.42Å; F129-F139 VanDerWaalsContact CG-CZ 3.42Å; F129-F139 AromaticContact CZ-CE2 3.87Å; F129-F139 HydrophobicContact CZ-CE2 3.87Å; P137-F139 HydrophobicContact CB-CD1 4.14Å; P137-F139 HydrophobicContact CB-CE1 3.88Å; F139-P390 HydrophobicContact CB-CB 4.23Å; F139-P390 HydrophobicContact CD1-CB 4.26Å; F139-A391 HydrophobicContact CB-CB 4.13Å
140S94.3Very high94Very high23 Ų2362 Ų6216%0.16134%0.336CS..  trans-137.4165.1173.140.80000109.3G18 T20 R124G18-S140 PolarHBondContact O-OG 3.12Å; T20-S140 PolarHBondContact N-OG 3.45Å; T20-S140 PolarHBondContact OG1-N 3.04Å; T20-S140 PolarHBondContact OG1-OG 3.32Å; T20-S140 VanDerWaalsContact OG1-OG 3.06Å; R124-S140 WeakPolarHBondContact O-CA 3.39Å; R124-S140 WeakPolarHBondContact O-CB 3.26Å
141E94.7Very high94.1Very high13 Ų1359.9 Ų59.96%0.06132%0.319CS..PPolyproline II helixtrans-95.7141.1171.7-75.8173.3169.300110.1G18 G123 R124 F129 R394G18-E141 PolarHBondContact N-O 3.25Å; G123-E141 WeakPolarHBondContact CA-O 3.41Å; R124-E141 IonicContact CZ-OE1 3.21Å; R124-E141 IonicContact CZ-OE2 2.98Å; R124-E141 IonicContact NE-OE1 2.66Å; R124-E141 IonicContact NE-OE2 3.62Å; R124-E141 PolarHBondContact NE-OE2 3.18Å; R124-E141 IonicContact NH2-OE1 3.86Å; R124-E141 PolarHBondContact NH2-OE1 2.86Å; R124-E141 IonicContact NH2-OE2 2.75Å; R124-E141 PolarHBondContact NH2-OE2 2.83Å; R124-E141 PolarHBondContact O-N 3.04Å; F129-E141 HydrophobicContact CE2-CG 4.23Å; F129-E141 HydrophobicContact CZ-CG 3.68Å; E141-R394 IonicContact OE1-CZ 2.88Å; E141-R394 IonicContact OE1-NH1 2.98Å; E141-R394 PolarHBondContact OE1-NH1 2.92Å; E141-R394 IonicContact OE1-NH2 3.61Å; E141-R394 PolarHBondContact OE1-NH2 2.8Å
142K96.2Very high94Very high71 Ų7156.9 Ų56.931%0.30930%0.301SS..PPolyproline II helixtrans-68.8154.9164.3-66.8175.3-179.7162.20109.4G123 M383 D385G123-K142 WeakPolarHBondContact CA-O 3.43Å; K142-M383 PolarHBondContact N-O 2.95Å; K142-M383 WeakPolarHBondContact O-CE 3.42Å; K142-D385 VanDerWaalsContact CE-OD1 3.27Å; K142-D385 WeakPolarHBondContact CE-OD1 3.44Å; K142-D385 IonicContact NZ-OD1 3.1Å; K142-D385 PolarHBondContact NZ-OD1 2.94Å
143G96.2Very high93.9Very high9 Ų950.3 Ų50.39%0.09326%0.258CS..PPolyproline II helixtrans-62.6145.4171.100000110.8G15 G16 N17G15-G143 WeakPolarHBondContact O-CA 3.1Å; G16-G143 VanDerWaalsContact O-CA 3.23Å; G16-G143 WeakPolarHBondContact O-CA 3.48Å; G16-G143 PolarHBondContact O-N 3.09Å; N17-G143 PolarHBondContact OD1-N 2.77Å
144E96.2Very high93.4Very high35 Ų3541 Ų4116%0.16423%0.225CC..PPolyproline II helixtrans-67137.7172.7-175.2179.3-169.300109.4G15 G120 R121 R379 M383G15-E144 PolarHBondContact N-O 2.71Å; G120-E144 WeakPolarHBondContact CA-O 3.49Å; R121-E144 HydrophobicContact CB-CB 4.26Å; R121-E144 VanDerWaalsContact CB-OE2 3.23Å; R121-E144 WeakPolarHBondContact CB-OE2 3.31Å; R121-E144 PolarHBondContact N-OE2 2.67Å; R121-E144 WeakPolarHBondContact O-CB 3.41Å; R121-E144 PolarHBondContact O-N 3.17Å; E144-R379 VanDerWaalsContact CD-NE 3.26Å; E144-R379 VanDerWaalsContact CD-NH2 3.3Å; E144-R379 HydrophobicContact CG-CG 4.16Å; E144-R379 WeakPolarHBondContact OE1-CD 3.4Å; E144-R379 IonicContact OE1-CZ 2.97Å; E144-R379 IonicContact OE1-NE 3.83Å; E144-R379 PolarHBondContact OE1-NE 3.21Å; E144-R379 IonicContact OE1-NH1 3.77Å; E144-R379 PolarHBondContact OE1-NH1 2.92Å; E144-R379 IonicContact OE1-NH2 2.83Å; E144-R379 PolarHBondContact OE1-NH2 3.23Å; E144-R379 IonicContact OE2-CZ 2.94Å; E144-R379 IonicContact OE2-NE 3.77Å; E144-R379 PolarHBondContact OE2-NE 2.74Å; E144-R379 IonicContact OE2-NH1 3Å; E144-R379 IonicContact OE2-NH2 3.78Å; E144-R379 PolarHBondContact OE2-NH2 3.24Å; E144-M383 HydrophobicContact CB-CE 4.22Å; E144-M383 HydrophobicContact CB-CG 4.21Å; E144-M383 HydrophobicContact CB-SD 3.85Å; E144-M383 HydrophobicContact CG-SD 4.25Å
145P95.3Very high92.7Very high46 Ų4638.5 Ų38.530%0.29921%0.212SC..PPolyproline II helixtrans-63.2145.2172.628.9-36.7000110.9D14 K382D14-P145 WeakPolarHBondContact OD1-CA 3.2Å; P145-K382 HydrophobicContact CG-CB 4.35Å; P145-K382 HydrophobicContact CG-CD 3.73Å
146G95.3Very high91.6Very high11 Ų1136.9 Ų36.911%0.11320%0.195CC..PPolyproline II helixtrans-67.7153.9170.500000111.3D14D14-G146 PolarHBondContact OD1-N 2.68Å
147E94.8Very high89.9Confident89 Ų8935.8 Ų35.842%0.41618%0.184SC..PPolyproline II helixtrans-63.2139.1171.3-70.3175.6177.900110.6A12 A117 K118A12-E147 WeakPolarHBondContact CB-O 3.23Å; A12-E147 PolarHBondContact N-O 2.71Å; A117-E147 HydrophobicContact CB-CB 4.24Å; K118-E147 HydrophobicContact CB-CG 4.28Å; K118-E147 PolarHBondContact N-OE2 3.47Å; K118-E147 PolarHBondContact O-N 3.35Å
148E95.5Very high88.4Confident130 Ų13037 Ų3761%0.60719%0.19SC*.EExtended strand (participates in β ladder)trans-130.3124.2177.7-178163.3-161.800108L10 K11L10-E148 WeakPolarHBondContact O-CA 3.33Å; K11-E148 HydrophobicContact CB-CG 4.38Å; K11-E148 HydrophobicContact CG-CB 4.49Å; K11-E148 HydrophobicContact CG-CG 4.45Å; K11-E148 IonicContact NZ-OE1 3.6Å; K11-E148 IonicContact NZ-OE2 3.24Å; K11-E148 PolarHBondContact NZ-OE2 2.83Å
149L94.6Very high87.3Confident30 Ų3033.6 Ų33.616%0.15717%0.173CC..EExtended strand (participates in β ladder)trans-156.2150.4-178.767.8163.5000111.3L10 L104 V116 A117 V151L10-L149 HydrophobicContact CB-CD2 4.41Å; L10-L149 PolarHBondContact N-O 3.46Å; L10-L149 PolarHBondContact O-N 3.03Å; L104-L149 HydrophobicContact CD1-CD1 3.64Å; V116-L149 HydrophobicContact CG1-CD1 4.5Å; A117-L149 HydrophobicContact CB-CD2 3.57Å; L149-V151 HydrophobicContact CD1-CG1 3.77Å; L149-V151 HydrophobicContact CG-CG1 3.97Å
150D96.3Very high86.5Confident67 Ų6734.1 Ų34.136%0.35818%0.176SC..EExtended strand (participates in β ladder)trans-89.9132.4168.5-73.1-27.3000110S9 V98S9-D150 VanDerWaalsContact CA-OD1 3.24Å; S9-D150 WeakPolarHBondContact CA-OD1 3.46Å; S9-D150 WeakPolarHBondContact CB-OD1 3.28Å; S9-D150 PolarHBondContact OG-OD1 2.99Å; V98-D150 HydrophobicContact CB-CB 3.95Å; V98-D150 HydrophobicContact CG2-CB 4.01Å; V98-D150 PolarHBondContact N-O 3.09Å
151V94.8Very high86.1Confident0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-123.2145.7177.4-56.40000112K7 I8 L10 I95 K96 V98 L104 V116 L149 L153K7-V151 WeakPolarHBondContact CA-O 3.03Å; I8-V151 HydrophobicContact CD1-CG2 4.02Å; I8-V151 HydrophobicContact CG1-CG2 3.55Å; I8-V151 PolarHBondContact N-O 3.38Å; I8-V151 PolarHBondContact O-N 2.9Å; L10-V151 HydrophobicContact CD1-CB 4.47Å; L10-V151 HydrophobicContact CD1-CG1 3.95Å; L10-V151 HydrophobicContact CD1-CG2 3.65Å; L10-V151 HydrophobicContact CG-CG2 3.93Å; I95-V151 HydrophobicContact CG2-CB 3.91Å; I95-V151 HydrophobicContact CG2-CG1 4.14Å; I95-V151 HydrophobicContact CG2-CG2 4.13Å; K96-V151 CarbonylContact O-C 3.5Å; K96-V151 WeakPolarHBondContact O-CA 3.38Å; K96-V151 VanDerWaalsContact O-CB 3.31Å; K96-V151 WeakPolarHBondContact O-CB 3.36Å; V98-V151 VanDerWaalsContact CG2-C 3.46Å; L104-V151 HydrophobicContact CD1-CG1 3.84Å; V116-V151 HydrophobicContact CG1-CG1 3.88Å; L149-V151 HydrophobicContact CD1-CG1 3.77Å; L149-V151 HydrophobicContact CG-CG1 3.97Å; V151-L153 HydrophobicContact CG2-CD2 4.24Å
152S90.4Very high85.7Confident7 Ų732.4 Ų32.45%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-97.1130.8163.855.70000109.5V6 I95 K96V6-S152 WeakPolarHBondContact O-CA 3.26Å; I95-S152 WeakPolarHBondContact CA-O 3.28Å; K96-S152 PolarHBondContact N-O 2.71Å; K96-S152 PolarHBondContact O-N 2.67Å
153L90.5Very high85.2Confident0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-98.2126.4168.3-53-178.8000107.5Q5 V6 I8 F46 L55 F58 V89 T93 I94 I95 V151Q5-L153 WeakPolarHBondContact CA-O 3.36Å; V6-L153 HydrophobicContact CG1-CB 3.87Å; V6-L153 HydrophobicContact CG1-CD1 4.07Å; V6-L153 HydrophobicContact CG1-CG 4.25Å; V6-L153 PolarHBondContact N-O 3.04Å; V6-L153 VanDerWaalsContact N-O 3.07Å; V6-L153 PolarHBondContact O-N 2.96Å; I8-L153 HydrophobicContact CD1-CD1 3.68Å; I8-L153 HydrophobicContact CD1-CD2 4.43Å; I8-L153 HydrophobicContact CD1-CG 4.04Å; I8-L153 HydrophobicContact CG1-CG 4.47Å; F46-L153 HydrophobicContact CD1-CD2 4.41Å; F46-L153 HydrophobicContact CE1-CD1 3.86Å; F46-L153 HydrophobicContact CE1-CD2 3.71Å; F46-L153 HydrophobicContact CE1-CG 4.43Å; F46-L153 HydrophobicContact CZ-CD1 4.48Å; F46-L153 HydrophobicContact CZ-CD2 3.98Å; L55-L153 HydrophobicContact CD1-CB 3.71Å; L55-L153 HydrophobicContact CD2-CB 4.33Å; L55-L153 HydrophobicContact CD2-CD1 4.19Å; F58-L153 HydrophobicContact CB-CD1 4.45Å; F58-L153 HydrophobicContact CD1-CD1 3.76Å; F58-L153 HydrophobicContact CD2-CD1 3.93Å; F58-L153 HydrophobicContact CE1-CD1 3.91Å; F58-L153 HydrophobicContact CE2-CD1 4.09Å; F58-L153 HydrophobicContact CG-CD1 3.76Å; F58-L153 HydrophobicContact CZ-CD1 4.08Å; V89-L153 HydrophobicContact CG1-CD1 4.37Å; T93-L153 HydrophobicContact CG2-CB 4.28Å; T93-L153 HydrophobicContact CG2-CD2 4.42Å; I94-L153 CarbonylContact O-C 3.58Å; I94-L153 WeakPolarHBondContact O-CA 3.5Å; I95-L153 HydrophobicContact CB-CD2 4.24Å; I95-L153 HydrophobicContact CD1-CD2 4.14Å; I95-L153 HydrophobicContact CG1-CD2 3.72Å; I95-L153 HydrophobicContact CG2-CD2 4Å; V151-L153 HydrophobicContact CG2-CD2 4.24Å
154E82Confident84.7Confident48 Ų4828.7 Ų28.722%0.22415%0.147CC..EExtended strand (participates in β ladder)trans-125.8114.6177.4-71.9178.8-177.800108.9Q5 I94 K96 K156Q5-E154 HydrophobicContact CG-CG 3.98Å; Q5-E154 PolarHBondContact NE2-OE1 2.82Å; I94-E154 HydrophobicContact CB-CB 4.43Å; I94-E154 PolarHBondContact N-O 3.41Å; I94-E154 PolarHBondContact O-N 2.93Å; K96-E154 WeakPolarHBondContact CE-OE2 3.16Å; K96-E154 IonicContact NZ-OE1 2.76Å; K96-E154 IonicContact NZ-OE2 3.31Å; K96-E154 PolarHBondContact NZ-OE2 3.41Å; E154-K156 PolarHBondContact O-N 3.26Å
155L76.7Confident84.2Confident9 Ų927.1 Ų27.15%0.04714%0.14CC..EExtended strand (participates in β ladder)trans-82109.5175.4-176.156.8000109.4F2 D4 R53 L55 P90 P91 L157F2-L155 HydrophobicContact CZ-CD2 4.17Å; D4-L155 PolarHBondContact O-N 3.16Å; R53-L155 WeakPolarHBondContact O-CD2 3.49Å; L55-L155 HydrophobicContact CD1-CB 3.99Å; L55-L155 HydrophobicContact CG-CB 4.34Å; P90-L155 HydrophobicContact CB-CD1 3.78Å; P90-L155 HydrophobicContact CB-CD2 4.18Å; P90-L155 HydrophobicContact CG-CD1 4.45Å; P90-L155 HydrophobicContact CG-CD2 4.23Å; P91-L155 VanDerWaalsContact O-CD1 3.26Å; P91-L155 WeakPolarHBondContact O-CD1 3.1Å; L155-L157 HydrophobicContact CD2-CD2 3.42Å; L155-L157 VanDerWaalsContact CD2-CD2 3.42Å; L155-L157 HydrophobicContact CD2-CG 4.08Å; L155-L157 HydrophobicContact CG-CD2 3.72Å; L155-L157 HydrophobicContact CG-CG 4.02Å; L155-L157 PolarHBondContact O-N 3.09Å
156K68.2Low83.7Confident54 Ų5426.5 Ų26.524%0.23513%0.133CC..  trans-77.196.1163.6-76.7171.9160.8179.90107.7G92 I94 E154 L158 Y188G92-K156 WeakPolarHBondContact O-CB 3.24Å; G92-K156 PolarHBondContact O-N 3.46Å; I94-K156 HydrophobicContact CD1-CD 3.38Å; I94-K156 HydrophobicContact CD1-CG 4.17Å; I94-K156 HydrophobicContact CG1-CD 3.95Å; I94-K156 HydrophobicContact CG1-CG 4.47Å; E154-K156 PolarHBondContact O-N 3.26Å; K156-L158 PolarHBondContact O-N 3.41Å; K156-Y188 WeakPolarHBondContact CB-OH 3.49Å; K156-Y188 HydrophobicContact CD-CE1 4.3Å; K156-Y188 WeakPolarHBondContact CD-OH 3.45Å
157L56.7Low83Confident18 Ų1829.7 Ų29.79%0.09415%0.152CC..PPolyproline II helixtrans-63.6130.9-176.6-81.1173.4000112.9F2 L155 P183 V209F2-L157 HydrophobicContact CE1-CD1 3.67Å; F2-L157 HydrophobicContact CE2-CD1 4.26Å; F2-L157 HydrophobicContact CE2-CD2 4.34Å; F2-L157 HydrophobicContact CZ-CD1 3.27Å; F2-L157 HydrophobicContact CZ-CD2 3.83Å; F2-L157 HydrophobicContact CZ-CG 3.93Å; L155-L157 HydrophobicContact CD2-CD2 3.42Å; L155-L157 VanDerWaalsContact CD2-CD2 3.42Å; L155-L157 HydrophobicContact CD2-CG 4.08Å; L155-L157 HydrophobicContact CG-CD2 3.72Å; L155-L157 HydrophobicContact CG-CG 4.02Å; L155-L157 PolarHBondContact O-N 3.09Å; L157-P183 HydrophobicContact CD1-CB 3.1Å; L157-P183 HydrophobicContact CD1-CG 3.41Å; L157-P183 VanDerWaalsContact CD1-CG 3.41Å; L157-P183 HydrophobicContact CG-CB 4.38Å; L157-V209 HydrophobicContact CD1-CG1 4.17Å; L157-V209 HydrophobicContact CD1-CG2 3.75Å; L157-V209 HydrophobicContact CD2-CG2 3.69Å; L157-V209 HydrophobicContact CG-CG2 4.23Å
158L61.2Low82.4Confident25 Ų2529.4 Ų29.413%0.13116%0.159CC..PPolyproline II helixtrans-87139.3158.3-58.6167.7000106.6K156 D160 R236K156-L158 PolarHBondContact O-N 3.41Å; L158-D160 PolarHBondContact O-N 2.89Å; L158-R236 HydrophobicContact CB-CB 4.33Å; L158-R236 HydrophobicContact CD1-CB 4.32Å; L158-R236 VanDerWaalsContact CD1-CD 3.44Å; L158-R236 HydrophobicContact CD2-CB 4.29Å; L158-R236 HydrophobicContact CD2-CG 4.5Å
159A70.5Confident82Confident6 Ų623.2 Ų23.25%0.0513%0.131CC..PPolyproline II helixtrans-72.9128.6172.600000108.3V161 L197 A211 T237A159-V161 VanDerWaalsContact C-N 3.34Å; A159-L197 HydrophobicContact CB-CD2 4.04Å; A159-A211 HydrophobicContact CB-CB 3.47Å; A159-A211 VanDerWaalsContact CB-CB 3.47Å; A159-T237 HydrophobicContact CB-CG2 3.74Å; A159-T237 WeakPolarHBondContact O-CA 3.16Å; A159-T237 WeakPolarHBondContact O-CG2 3.32Å; A159-T237 PolarHBondContact O-N 2.71Å
160D75.9Confident81.6Confident25 Ų2522.4 Ų22.413%0.13413%0.129CC..SBendtrans-73.3-34.4171.1-62.3-61.4000110.2L158 F208 V209 T237 K238 V239 L328L158-D160 PolarHBondContact O-N 2.89Å; D160-F208 HydrophobicContact CB-CB 4.07Å; D160-F208 VanDerWaalsContact OD2-CA 3.3Å; D160-F208 WeakPolarHBondContact OD2-CA 3.35Å; D160-F208 WeakPolarHBondContact OD2-CB 3.21Å; D160-V209 WeakPolarHBondContact CB-O 3.38Å; D160-V209 PolarHBondContact N-O 3.31Å; D160-V209 PolarHBondContact OD2-N 3.48Å; D160-T237 CarbonylContact O-C 3.57Å; D160-T237 WeakPolarHBondContact O-CA 3.15Å; D160-K238 PolarHBondContact O-N 3.48Å; D160-V239 PolarHBondContact O-N 3.35Å; D160-L328 HydrophobicContact CB-CD1 4.2Å; D160-L328 HydrophobicContact CB-CD2 3.95Å
161V85.4Confident81.2Confident0 Ų020.5 Ų20.50%012%0.118CC..EExtended strand (participates in β ladder)trans-129.2127.7-172.4-175.70000110.5A159 F208 V209 M210 A211 V239 V241 I324 L328A159-V161 VanDerWaalsContact C-N 3.34Å; V161-F208 HydrophobicContact CB-CD2 4.41Å; V161-F208 HydrophobicContact CG2-CD2 3.61Å; V161-F208 HydrophobicContact CG2-CE2 3.85Å; V161-F208 HydrophobicContact CG2-CG 4.48Å; V161-V209 PolarHBondContact N-O 2.81Å; V161-M210 HydrophobicContact CB-CB 4.38Å; V161-M210 HydrophobicContact CB-CG 4.25Å; V161-M210 HydrophobicContact CG1-CE 4.22Å; V161-M210 HydrophobicContact CG1-CG 4.27Å; V161-M210 CarbonylContact O-C 3.55Å; V161-M210 WeakPolarHBondContact O-CA 3.03Å; V161-A211 PolarHBondContact O-N 3.46Å; V161-V239 WeakPolarHBondContact CA-O 3.5Å; V161-V241 HydrophobicContact CG1-CB 4.16Å; V161-V241 HydrophobicContact CG1-CG2 3.4Å; V161-V241 VanDerWaalsContact CG1-CG2 3.4Å; V161-I324 HydrophobicContact CG1-CG2 4.29Å; V161-I324 HydrophobicContact CG2-CG2 3.53Å; V161-L328 HydrophobicContact CG2-CD1 3.76Å; V161-L328 HydrophobicContact CG2-CD2 4.15Å; V161-L328 HydrophobicContact CG2-CG 4.24Å
162G86.4Confident80.8Confident0 Ų023.8 Ų23.80%014%0.141CC..EExtended strand (participates in β ladder)trans-101.2122.7174.600000111.8V239 V241G162-V239 PolarHBondContact N-O 2.83Å; G162-V241 PolarHBondContact O-N 3.02Å
163L87.2Confident80.6Confident0 Ų026.4 Ų26.40%016%0.157CC..EExtended strand (participates in β ladder)trans-85123.6168.9-63.4173.3000110K171 L174 L175 M210 A211 L213 V241L163-K171 HydrophobicContact CB-CD 4.38Å; L163-K171 HydrophobicContact CD1-CB 4.48Å; L163-L174 HydrophobicContact CD2-CD2 3.84Å; L163-L175 HydrophobicContact CD1-CB 4.03Å; L163-M210 HydrophobicContact CD1-CG 4Å; L163-M210 HydrophobicContact CD1-SD 3.58Å; L163-M210 VanDerWaalsContact CD1-SD 3.58Å; L163-M210 HydrophobicContact CD2-CE 4.31Å; L163-M210 HydrophobicContact CD2-CG 4.27Å; L163-M210 HydrophobicContact CD2-SD 3.69Å; L163-M210 HydrophobicContact CG-CG 3.78Å; L163-M210 HydrophobicContact CG-SD 3.67Å; L163-A211 PolarHBondContact N-O 2.84Å; L163-L213 PolarHBondContact O-N 2.91Å; L163-V241 WeakPolarHBondContact CA-O 3.24Å; L163-V241 HydrophobicContact CD2-CB 3.91Å; L163-V241 HydrophobicContact CD2-CG1 3.69Å
164V85.6Confident80.6Confident2 Ų226.5 Ų26.51%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-122.6154.7174.1-57.10000109.8L213 L216 I240 V241 H242 M243 I261V164-L213 HydrophobicContact CG1-CD1 3.9Å; V164-L216 HydrophobicContact CB-CD1 4.4Å; V164-L216 HydrophobicContact CG1-CD1 3.5Å; V164-L216 VanDerWaalsContact CG1-CD1 3.5Å; V164-I240 HydrophobicContact CB-CG2 4.46Å; V164-I240 HydrophobicContact CG1-CG2 3.98Å; V164-I240 HydrophobicContact CG2-CG2 3.6Å; V164-V241 PolarHBondContact N-O 3.45Å; V164-H242 HydrophobicContact CG2-CB 4.26Å; V164-M243 PolarHBondContact O-N 2.75Å; V164-I261 HydrophobicContact CB-CG2 4.13Å; V164-I261 HydrophobicContact CG2-CG2 3.8Å
165G85.4Confident80.9Confident2 Ų224.6 Ų24.62%0.02115%0.148CC..  trans143.1148.6-173.300000113K171 I217 M243G165-K171 WeakPolarHBondContact O-CD 3.39Å; G165-K171 WeakPolarHBondContact O-CE 3.13Å; G165-I217 WeakPolarHBondContact O-CD1 3.39Å; G165-M243 WeakPolarHBondContact CA-O 3.27Å
166F83.9Confident81.4Confident34 Ų3428 Ų2815%0.14917%0.173CC..  trans-53.9161.6-176-80.7-87.2000114.8S168 V169 I217 D257 V260 I261F166-S168 PolarHBondContact O-N 3.45Å; F166-V169 HydrophobicContact CB-CG1 3.72Å; F166-V169 WeakPolarHBondContact O-CG1 3.26Å; F166-V169 WeakPolarHBondContact O-CG2 3.4Å; F166-V169 PolarHBondContact O-N 3.46Å; F166-I217 HydrophobicContact CB-CD1 4.37Å; F166-I217 HydrophobicContact CD1-CD1 4.35Å; F166-I217 HydrophobicContact CD1-CG2 4.07Å; F166-I217 HydrophobicContact CE1-CG2 3.62Å; F166-I217 HydrophobicContact CE2-CG2 4.48Å; F166-I217 HydrophobicContact CG-CD1 4.28Å; F166-I217 HydrophobicContact CZ-CG2 3.86Å; F166-D257 HydrophobicContact CD2-CB 3.74Å; F166-D257 VanDerWaalsContact CD2-CG 3.47Å; F166-D257 HydrophobicContact CE2-CB 3.68Å; F166-V260 HydrophobicContact CZ-CB 4.24Å; F166-V260 HydrophobicContact CZ-CG1 3.91Å; F166-I261 HydrophobicContact CD2-CD1 3.97Å; F166-I261 HydrophobicContact CD2-CG1 4.25Å; F166-I261 HydrophobicContact CE2-CD1 4.06Å; F166-I261 HydrophobicContact CE2-CG1 3.91Å
167P81.1Confident82.4Confident77 Ų7727.8 Ų27.850%0.517%0.174SC..THydrogen-bonded Turntrans-51.1145.4166.3-25.135.6000111V169 R252P167-V169 PolarHBondContact O-N 3.49Å; P167-V169 VanDerWaalsContact O-N 3.08Å; P167-R252 PolarHBondContact O-NH2 2.83Å
168S82.3Confident83.8Confident83 Ų8327.5 Ų27.558%0.5817%0.173SC*.THydrogen-bonded Turntrans63.78.8176.2-51.30000116.5F166 G170 K283F166-S168 PolarHBondContact O-N 3.45Å; S168-G170 VanDerWaalsContact C-N 3.28Å; S168-K283 VanDerWaalsContact O-CE 3.24Å; S168-K283 WeakPolarHBondContact O-CE 3.42Å; S168-K283 PolarHBondContact O-NZ 2.88Å
169V87Confident84.9Confident1 Ų127.5 Ų27.51%0.00618%0.175CC..SBendtrans-74.7-18.7172.4-57.50000113F166 P167 K171 M243 D245 N282F166-V169 HydrophobicContact CB-CG1 3.72Å; F166-V169 WeakPolarHBondContact O-CG1 3.26Å; F166-V169 WeakPolarHBondContact O-CG2 3.4Å; F166-V169 PolarHBondContact O-N 3.46Å; P167-V169 PolarHBondContact O-N 3.49Å; P167-V169 VanDerWaalsContact O-N 3.08Å; V169-K171 HydrophobicContact CG2-CG 3.72Å; V169-M243 HydrophobicContact CB-CG 4.49Å; V169-M243 HydrophobicContact CG2-CB 3.88Å; V169-M243 HydrophobicContact CG2-CG 3.96Å; V169-M243 WeakPolarHBondContact CG2-O 3.48Å; V169-M243 HydrophobicContact CG2-SD 4.41Å; V169-D245 HydrophobicContact CB-CB 4.4Å; V169-D245 HydrophobicContact CG1-CB 4.08Å; V169-N282 PolarHBondContact O-ND2 2.98Å
170G87.2Confident85.1Confident12 Ų1233.8 Ų33.812%0.12420%0.201CC..SBendtrans113.311.6175.800000116.3S168 S172 T173 L174 M243S168-G170 VanDerWaalsContact C-N 3.28Å; G170-S172 PolarHBondContact O-N 3.13Å; G170-T173 CarbonylContact O-C 3.48Å; G170-T173 WeakPolarHBondContact O-CA 3.42Å; G170-T173 WeakPolarHBondContact O-CB 3.29Å; G170-T173 PolarHBondContact O-N 3.26Å; G170-T173 VanDerWaalsContact O-N 3.09Å; G170-L174 PolarHBondContact O-N 3.39Å; G170-M243 VanDerWaalsContact C-CE 3.44Å; G170-M243 WeakPolarHBondContact O-CE 3.17Å
171K86.8Confident84.7Confident28 Ų2834.6 Ų34.612%0.12221%0.211CC..Hα-helixtrans-51.7-57-177-61.3-169.8-64.7150.40113.5L163 G165 V169 T173 L174 L175 D212 L213 M243L163-K171 HydrophobicContact CB-CD 4.38Å; L163-K171 HydrophobicContact CD1-CB 4.48Å; G165-K171 WeakPolarHBondContact O-CD 3.39Å; G165-K171 WeakPolarHBondContact O-CE 3.13Å; V169-K171 HydrophobicContact CG2-CG 3.72Å; K171-T173 PolarHBondContact O-N 2.82Å; K171-L174 PolarHBondContact O-N 3.43Å; K171-L175 PolarHBondContact O-N 2.89Å; K171-D212 VanDerWaalsContact CE-OD1 3.31Å; K171-D212 WeakPolarHBondContact CE-OD1 3.27Å; K171-D212 IonicContact NZ-OD1 3.5Å; K171-D212 PolarHBondContact NZ-OD1 3.48Å; K171-L213 PolarHBondContact NZ-O 3.01Å; K171-M243 WeakPolarHBondContact CA-SD 3.5Å; K171-M243 HydrophobicContact CB-SD 4.34Å; K171-M243 HydrophobicContact CG-CB 4.12Å; K171-M243 HydrophobicContact CG-SD 4.12Å; K171-M243 PolarHBondContact N-SD 2.82Å
172S85.8Confident83.7Confident68 Ų6843.1 Ų43.148%0.47625%0.248SC..Hα-helixtrans-66.6-30.3-179.2-40.60000111.7G170 S176 D212G170-S172 PolarHBondContact O-N 3.13Å; S172-S176 VanDerWaalsContact O-CB 3.29Å; S172-S176 WeakPolarHBondContact O-CB 3.5Å; S172-S176 PolarHBondContact O-N 2.72Å; S172-S176 PolarHBondContact O-OG 3.24Å; S172-D212 PolarHBondContact OG-OD2 2.83Å
173T87.8Confident82.4Confident63 Ų6343.8 Ų43.839%0.38725%0.252SS..Hα-helixtrans-65.9-49.3173.9-54.50000110.7G170 K171 L175 S176 I177G170-T173 CarbonylContact O-C 3.48Å; G170-T173 WeakPolarHBondContact O-CA 3.42Å; G170-T173 WeakPolarHBondContact O-CB 3.29Å; G170-T173 PolarHBondContact O-N 3.26Å; G170-T173 VanDerWaalsContact O-N 3.09Å; K171-T173 PolarHBondContact O-N 2.82Å; T173-L175 PolarHBondContact O-N 3.47Å; T173-S176 PolarHBondContact O-N 3.43Å; T173-S176 PolarHBondContact O-OG 3.34Å; T173-I177 HydrophobicContact CG2-CD1 3.9Å; T173-I177 WeakPolarHBondContact O-CG1 3.38Å; T173-I177 PolarHBondContact O-N 3.09Å; T173-I177 VanDerWaalsContact O-N 3.13Å
174L90.5Very high80.9Confident1 Ų150.1 Ų50.11%0.00528%0.28CS..Hα-helixtrans-54.6-55.9174.9177.561.3000109.9L163 G170 K171 S176 I177 V178 M243 T311 I317 L320L163-L174 HydrophobicContact CD2-CD2 3.84Å; G170-L174 PolarHBondContact O-N 3.39Å; K171-L174 PolarHBondContact O-N 3.43Å; L174-S176 VanDerWaalsContact C-N 3.26Å; L174-S176 PolarHBondContact O-N 2.94Å; L174-I177 PolarHBondContact O-N 3.32Å; L174-V178 HydrophobicContact CD1-CG1 3.87Å; L174-V178 WeakPolarHBondContact O-CG2 3.24Å; L174-V178 PolarHBondContact O-N 3.37Å; L174-M243 HydrophobicContact CB-CE 3.95Å; L174-M243 HydrophobicContact CB-SD 4.11Å; L174-M243 HydrophobicContact CD2-CE 4.37Å; L174-M243 HydrophobicContact CD2-SD 4.14Å; L174-T311 HydrophobicContact CB-CG2 3.76Å; L174-T311 HydrophobicContact CD1-CG2 4.02Å; L174-T311 HydrophobicContact CG-CG2 4.45Å; L174-I317 HydrophobicContact CD1-CD1 3.98Å; L174-L320 HydrophobicContact CD1-CD2 4.05Å; L174-L320 HydrophobicContact CD2-CD2 4.02Å
175L88.2Confident79.5Confident9 Ų952.9 Ų52.95%0.04729%0.294CS..Hα-helixtrans-54.7-43.2-179.6-173.766.5000111.7L163 K171 T173 I177 S179 N196 M210 D212L163-L175 HydrophobicContact CD1-CB 4.03Å; K171-L175 PolarHBondContact O-N 2.89Å; T173-L175 PolarHBondContact O-N 3.47Å; L175-I177 VanDerWaalsContact C-N 3.29Å; L175-I177 PolarHBondContact O-N 2.76Å; L175-S179 WeakPolarHBondContact O-CA 3.4Å; L175-S179 WeakPolarHBondContact O-CB 3.36Å; L175-S179 PolarHBondContact O-N 3.32Å; L175-N196 HydrophobicContact CD2-CB 3.82Å; L175-N196 WeakPolarHBondContact CD2-O 3.38Å; L175-M210 HydrophobicContact CD1-CB 3.78Å; L175-M210 HydrophobicContact CD1-CG 3.82Å; L175-M210 HydrophobicContact CD1-SD 3.91Å; L175-D212 HydrophobicContact CD2-CB 3.89Å
176S87Confident77.9Confident81 Ų8153.5 Ų53.557%0.56630%0.3SS*.Hα-helixtrans-65-30.718076.20000113.9S172 T173 L174S172-S176 VanDerWaalsContact O-CB 3.29Å; S172-S176 WeakPolarHBondContact O-CB 3.5Å; S172-S176 PolarHBondContact O-N 2.72Å; S172-S176 PolarHBondContact O-OG 3.24Å; T173-S176 PolarHBondContact O-N 3.43Å; T173-S176 PolarHBondContact O-OG 3.34Å; L174-S176 VanDerWaalsContact C-N 3.26Å; L174-S176 PolarHBondContact O-N 2.94Å
177I87.7Confident76.1Confident49 Ų4956.5 Ų56.525%0.25133%0.331SS..Hα-helixtrans-82.5-39.9-178.4-68.6169.2000110.6T173 L174 L175 T311 R314T173-I177 HydrophobicContact CG2-CD1 3.9Å; T173-I177 WeakPolarHBondContact O-CG1 3.38Å; T173-I177 PolarHBondContact O-N 3.09Å; T173-I177 VanDerWaalsContact O-N 3.13Å; L174-I177 PolarHBondContact O-N 3.32Å; L175-I177 VanDerWaalsContact C-N 3.29Å; L175-I177 PolarHBondContact O-N 2.76Å; I177-T311 WeakPolarHBondContact CD1-O 3.42Å; I177-R314 HydrophobicContact CG2-CG 4.23Å
178V87.6Confident74.4Confident11 Ų1154.7 Ų54.77%0.06732%0.315CS..Hα-helixtrans-87.2-20.2-176.4-57.90000113.4L174 K180 V200 M210 I317 L321L174-V178 HydrophobicContact CD1-CG1 3.87Å; L174-V178 WeakPolarHBondContact O-CG2 3.24Å; L174-V178 PolarHBondContact O-N 3.37Å; V178-K180 PolarHBondContact O-N 2.68Å; V178-V200 HydrophobicContact CB-CG1 4.06Å; V178-V200 HydrophobicContact CB-CG2 4.18Å; V178-V200 HydrophobicContact CG2-CG1 4.28Å; V178-V200 HydrophobicContact CG2-CG2 3.56Å; V178-M210 HydrophobicContact CG2-CE 4.45Å; V178-M210 HydrophobicContact CG2-SD 4.13Å; V178-I317 HydrophobicContact CG1-CG2 3.61Å; V178-L321 HydrophobicContact CB-CD2 4.2Å; V178-L321 HydrophobicContact CG1-CD1 4.32Å; V178-L321 HydrophobicContact CG1-CD2 3.96Å; V178-L321 HydrophobicContact CG1-CG 4.46Å
179S84.1Confident72.3Confident26 Ų2660.3 Ų60.318%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-76.6113.5-177.6172.70000112.1L175 A181 G198 V199L175-S179 WeakPolarHBondContact O-CA 3.4Å; L175-S179 WeakPolarHBondContact O-CB 3.36Å; L175-S179 PolarHBondContact O-N 3.32Å; S179-A181 PolarHBondContact OG-O 3.15Å; S179-G198 WeakPolarHBondContact OG-CA 3.45Å; S179-V199 CarbonylContact C-O 3.56Å; S179-V199 WeakPolarHBondContact CA-O 3.31Å
180K73.8Confident70.3Confident138 Ų13863.2 Ų63.260%0.634%0.344SS*.EExtended strand (participates in β ladder)trans-76-27171.2-63.8-171.5-176.3-178.90112.9V178 V199V178-K180 PolarHBondContact O-N 2.68Å; K180-V199 PolarHBondContact N-O 3.03Å
181A67.3Low68Low41 Ų4164.5 Ų64.534%0.33935%0.35SS..EExtended strand (participates in β ladder)trans-152.9149.8-179.200000111.8S179 V199S179-A181 PolarHBondContact OG-O 3.15Å; A181-V199 HydrophobicContact CB-CB 4.4Å; A181-V199 HydrophobicContact CB-CG2 4.44Å; A181-V199 PolarHBondContact O-N 2.8Å
182K64.7Low66.1Low180 Ų18069.9 Ų69.978%0.78339%0.385SS*.  trans-101111.2173.5-63-172-179.1-173.20109.5
183P60Low64.7Low13 Ų1369.5 Ų69.58%0.08438%0.377CS..PPolyproline II helixtrans-77.5159.6-177.930.9-31.8000112.3F2 L157 L197 V199 V209F2-P183 HydrophobicContact CE1-CB 4.13Å; L157-P183 HydrophobicContact CD1-CB 3.1Å; L157-P183 HydrophobicContact CD1-CG 3.41Å; L157-P183 VanDerWaalsContact CD1-CG 3.41Å; L157-P183 HydrophobicContact CG-CB 4.38Å; P183-L197 HydrophobicContact CG-CB 3.52Å; P183-L197 HydrophobicContact CG-CD1 4.09Å; P183-L197 HydrophobicContact CG-CG 4.43Å; P183-V199 HydrophobicContact CB-CG2 4.41Å; P183-V199 HydrophobicContact CG-CG2 4.18Å; P183-V209 HydrophobicContact CG-CG1 4.45Å
184K54.2Low63.4Low133 Ų13374.2 Ų74.258%0.57839%0.392SS*.PPolyproline II helixtrans-72.4128.6174.5-69.1-179.9-176.2173.10111.2D4D4-K184 PolarHBondContact OD2-N 3.17Å
185I57.2Low62.3Low60 Ų6074.9 Ų74.931%0.30840%0.397SS..PPolyproline II helixtrans-79.9132.9171-53.3160000107.6A187 K194 P195 L197I185-A187 PolarHBondContact O-N 3.05Å; I185-K194 HydrophobicContact CD1-CB 3.86Å; I185-K194 HydrophobicContact CD1-CD 4.5Å; I185-K194 HydrophobicContact CD1-CG 4.36Å; I185-P195 WeakPolarHBondContact CD1-O 3.46Å; I185-L197 HydrophobicContact CG1-CD1 3.8Å; I185-L197 HydrophobicContact CG1-CG 4.45Å
186G51.3Low61.7Low15 Ų1578.8 Ų78.816%0.15542%0.418CS..PPolyproline II helixtrans-56.2136169.200000110.5Y188G186-Y188 WeakPolarHBondContact O-CD2 3.32Å; G186-Y188 PolarHBondContact O-N 3.03Å
187A46.3Very low61.2Low97 Ų9775.7 Ų75.780%0.80240%0.395SS*.  trans-71.575.4169.500000109I185 H189I185-A187 PolarHBondContact O-N 3.05Å; A187-H189 PolarHBondContact O-N 3.44Å
188Y45.8Very low61Low40 Ų4073.4 Ų73.416%0.15738%0.383CS..  trans-73.1124.3173.6-66.6-75.4000108.4K156 G186 F190 T191 H233K156-Y188 WeakPolarHBondContact CB-OH 3.49Å; K156-Y188 HydrophobicContact CD-CE1 4.3Å; K156-Y188 WeakPolarHBondContact CD-OH 3.45Å; G186-Y188 WeakPolarHBondContact O-CD2 3.32Å; G186-Y188 PolarHBondContact O-N 3.03Å; Y188-F190 AromaticContact CD1-CE1 3.76Å; Y188-F190 HydrophobicContact CD1-CE1 3.76Å; Y188-F190 HydrophobicContact CD1-CE2 4.2Å; Y188-F190 AromaticContact CD1-CZ 3.4Å; Y188-F190 HydrophobicContact CD1-CZ 3.4Å; Y188-F190 HydrophobicContact CE1-CZ 4.31Å; Y188-F190 HydrophobicContact CG-CE1 4.19Å; Y188-F190 AromaticContact CG-CE2 3.99Å; Y188-F190 HydrophobicContact CG-CE2 3.99Å; Y188-F190 AromaticContact CG-CZ 3.66Å; Y188-F190 HydrophobicContact CG-CZ 3.66Å; Y188-F190 PolarHBondContact O-N 2.77Å; Y188-T191 PolarHBondContact O-N 2.84Å; Y188-T191 PolarHBondContact O-OG1 3.25Å; Y188-H233 AromaticContact CD1-CE1 3.57Å; Y188-H233 AromaticContact CD2-CE1 3.68Å; Y188-H233 AromaticContact CD2-NE2 3.87Å; Y188-H233 AromaticContact CE1-CE1 3.26Å; Y188-H233 WeakPolarHBondContact CE1-CE1 3.35Å; Y188-H233 AromaticContact CE1-NE2 3.39Å; Y188-H233 WeakPolarHBondContact CE1-NE2 3.3Å; Y188-H233 AromaticContact CE2-CD2 3.61Å; Y188-H233 AromaticContact CE2-CE1 3.39Å; Y188-H233 WeakPolarHBondContact CE2-CE1 3.39Å; Y188-H233 AromaticContact CE2-NE2 3.11Å; Y188-H233 WeakPolarHBondContact CE2-NE2 3.4Å; Y188-H233 AromaticContact CG-CE1 3.77Å; Y188-H233 AromaticContact CZ-CD2 3.76Å; Y188-H233 AromaticContact CZ-CE1 3.18Å; Y188-H233 AromaticContact CZ-NE2 2.82Å; Y188-H233 PolarHBondContact OH-NE2 3.38Å
189H37.4Very low60.6Low200 Ų20073 Ų7393%0.92638%0.38SS*.THydrogen-bonded Turntrans-62.5-1.7-178.2-65.4-59.4000114.5A187A187-H189 PolarHBondContact O-N 3.44Å
190F45.3Very low60.7Low63 Ų6371.7 Ų71.728%0.27637%0.372SS..THydrogen-bonded Turntrans-1179-173.351.7-106.9000114.2Y188 Q229 H233Y188-F190 AromaticContact CD1-CE1 3.76Å; Y188-F190 HydrophobicContact CD1-CE1 3.76Å; Y188-F190 HydrophobicContact CD1-CE2 4.2Å; Y188-F190 AromaticContact CD1-CZ 3.4Å; Y188-F190 HydrophobicContact CD1-CZ 3.4Å; Y188-F190 HydrophobicContact CE1-CZ 4.31Å; Y188-F190 HydrophobicContact CG-CE1 4.19Å; Y188-F190 AromaticContact CG-CE2 3.99Å; Y188-F190 HydrophobicContact CG-CE2 3.99Å; Y188-F190 AromaticContact CG-CZ 3.66Å; Y188-F190 HydrophobicContact CG-CZ 3.66Å; Y188-F190 PolarHBondContact O-N 2.77Å; F190-Q229 HydrophobicContact CB-CB 3.7Å; F190-Q229 HydrophobicContact CB-CG 4.44Å; F190-Q229 HydrophobicContact CD1-CB 4.22Å; F190-Q229 VanDerWaalsContact CD2-C 3.49Å; F190-Q229 HydrophobicContact CD2-CB 3.53Å; F190-Q229 WeakPolarHBondContact CD2-O 3.18Å; F190-Q229 HydrophobicContact CE2-CB 4.16Å; F190-Q229 WeakPolarHBondContact CE2-O 3.43Å; F190-Q229 HydrophobicContact CG-CB 3.56Å; F190-H233 AromaticContact CE2-ND1 3.81Å; F190-H233 AromaticContact CZ-CE1 3.82Å
191T38.9Very low61.2Low39 Ų3966.2 Ų66.224%0.23935%0.351CS..  trans-105.9121.4179.164.40000110.7Y188 F230Y188-T191 PolarHBondContact O-N 2.84Å; Y188-T191 PolarHBondContact O-OG1 3.25Å; T191-F230 HydrophobicContact CG2-CD2 3.83Å
192T47.5Very low62.1Low141 Ų14164.3 Ų64.387%0.86534%0.335SS*.SBendtrans-86.6-29.1168.848.70000111.4
193I56Low63Low60 Ų6058.8 Ų58.831%0.30832%0.317SS..SBendtrans-116.2129.4-178.8-50.2177.4000108.8P214 L226 F230I193-P214 HydrophobicContact CB-CG 4.34Å; I193-P214 HydrophobicContact CG2-CB 3.78Å; I193-P214 HydrophobicContact CG2-CG 3.46Å; I193-P214 VanDerWaalsContact CG2-CG 3.46Å; I193-L226 HydrophobicContact CD1-CD2 4.38Å; I193-F230 WeakPolarHBondContact O-CE2 3.47Å
194K61.6Low64.2Low161 Ų16161.7 Ų61.770%0.733%0.332SS*.  trans-86.7121.5174.7-71.5-178.4-179.4178.70108.8I185I185-K194 HydrophobicContact CD1-CB 3.86Å; I185-K194 HydrophobicContact CD1-CD 4.5Å; I185-K194 HydrophobicContact CD1-CG 4.36Å
195P66.5Low65.3Low15 Ų1562.9 Ų62.910%0.09734%0.34CS..  trans-68.1148.6174.330.2-32.6000109.6I185 L197I185-P195 WeakPolarHBondContact CD1-O 3.46Å; P195-L197 PolarHBondContact O-N 3.19Å
196N75.4Confident66.5Low92 Ų9262.1 Ų62.149%0.49233%0.333SS..EExtended strand (participates in β ladder)trans-83.8112.3171.6-66.6-52.5000108.2L175 A211 D212L175-N196 HydrophobicContact CD2-CB 3.82Å; L175-N196 WeakPolarHBondContact CD2-O 3.38Å; N196-A211 WeakPolarHBondContact O-CA 3.39Å; N196-D212 HydrophobicContact CB-CB 4.14Å; N196-D212 PolarHBondContact O-N 3.42Å
197L77.4Confident68Low16 Ų1663 Ų638%0.08434%0.337CS..EExtended strand (participates in β ladder)trans-95.9144.8174.7-65.6169.1000110.7A159 P183 I185 P195 V209 M210 A211A159-L197 HydrophobicContact CB-CD2 4.04Å; P183-L197 HydrophobicContact CG-CB 3.52Å; P183-L197 HydrophobicContact CG-CD1 4.09Å; P183-L197 HydrophobicContact CG-CG 4.43Å; I185-L197 HydrophobicContact CG1-CD1 3.8Å; I185-L197 HydrophobicContact CG1-CG 4.45Å; P195-L197 PolarHBondContact O-N 3.19Å; L197-V209 HydrophobicContact CB-CG1 4.44Å; L197-V209 HydrophobicContact CD2-CG1 3.89Å; L197-M210 CarbonylContact C-O 3.49Å; L197-M210 WeakPolarHBondContact CA-O 3.43Å; L197-A211 HydrophobicContact CD2-CB 3.65Å
198G82.1Confident69.7Low0 Ų058.4 Ų58.40%030%0.299CS..EExtended strand (participates in β ladder)trans-140.5133.9172.600000110.9S179 V200 M210S179-G198 WeakPolarHBondContact OG-CA 3.45Å; G198-V200 PolarHBondContact O-N 3.16Å; G198-M210 PolarHBondContact N-O 2.83Å; G198-M210 PolarHBondContact O-N 3.06Å
199V80.5Confident71.3Confident2 Ų256.6 Ų56.61%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-85.1115.2172.4-176.10000108.4F2 S179 K180 A181 P183F2-V199 HydrophobicContact CB-CB 4.45Å; F2-V199 HydrophobicContact CB-CG1 3.85Å; F2-V199 HydrophobicContact CB-CG2 4.3Å; F2-V199 HydrophobicContact CD1-CG2 3.61Å; F2-V199 HydrophobicContact CD2-CG1 3.74Å; F2-V199 HydrophobicContact CD2-CG2 4.01Å; F2-V199 HydrophobicContact CE1-CG2 3.84Å; F2-V199 HydrophobicContact CE2-CG1 4.48Å; F2-V199 HydrophobicContact CE2-CG2 4.25Å; F2-V199 HydrophobicContact CG-CB 4.29Å; F2-V199 HydrophobicContact CG-CG1 3.8Å; F2-V199 HydrophobicContact CG-CG2 3.7Å; F2-V199 HydrophobicContact CZ-CG2 4.21Å; S179-V199 CarbonylContact C-O 3.56Å; S179-V199 WeakPolarHBondContact CA-O 3.31Å; K180-V199 PolarHBondContact N-O 3.03Å; A181-V199 HydrophobicContact CB-CB 4.4Å; A181-V199 HydrophobicContact CB-CG2 4.44Å; A181-V199 PolarHBondContact O-N 2.8Å; P183-V199 HydrophobicContact CB-CG2 4.41Å; P183-V199 HydrophobicContact CG-CG2 4.18Å
200V85.8Confident73.5Confident0 Ų047.1 Ų47.10%025%0.248CC..EExtended strand (participates in β ladder)trans-94.1144.4177.1-174.40000108.6V178 G198 S207 F208 M210 L321V178-V200 HydrophobicContact CB-CG1 4.06Å; V178-V200 HydrophobicContact CB-CG2 4.18Å; V178-V200 HydrophobicContact CG2-CG1 4.28Å; V178-V200 HydrophobicContact CG2-CG2 3.56Å; G198-V200 PolarHBondContact O-N 3.16Å; V200-S207 VanDerWaalsContact O-CA 3.27Å; V200-S207 WeakPolarHBondContact O-CA 3.38Å; V200-F208 HydrophobicContact CB-CD2 4.02Å; V200-F208 HydrophobicContact CB-CE1 4.18Å; V200-F208 HydrophobicContact CB-CE2 3.64Å; V200-F208 HydrophobicContact CB-CG 4.45Å; V200-F208 HydrophobicContact CB-CZ 3.73Å; V200-F208 HydrophobicContact CG1-CE1 3.95Å; V200-F208 HydrophobicContact CG1-CE2 3.95Å; V200-F208 HydrophobicContact CG1-CZ 3.53Å; V200-F208 HydrophobicContact CG2-CD2 4.4Å; V200-F208 HydrophobicContact CG2-CE2 3.92Å; V200-F208 HydrophobicContact CG2-CZ 4.36Å; V200-F208 PolarHBondContact N-O 3.43Å; V200-F208 PolarHBondContact O-N 2.69Å; V200-F208 VanDerWaalsContact O-N 3.08Å; V200-M210 HydrophobicContact CG2-CB 3.82Å; V200-M210 HydrophobicContact CG2-CE 4.26Å; V200-M210 HydrophobicContact CG2-SD 4.42Å; V200-L321 HydrophobicContact CG1-CD1 3.9Å; V200-L321 HydrophobicContact CG1-CD2 3.54Å; V200-L321 HydrophobicContact CG1-CG 4.3Å
201S83.9Confident75.2Confident23 Ų2344.2 Ų44.216%0.16124%0.235CC..EExtended strand (participates in β ladder)trans-135.7130.2164-36.90000110R206S201-R206 CarbonylContact C-O 3.58Å; S201-R206 WeakPolarHBondContact CA-O 3.12Å; S201-R206 WeakPolarHBondContact CB-O 3.33Å
202T85.9Confident77.2Confident0 Ų042.8 Ų42.80%023%0.226CC..  trans-67.2160.4174.555.60000110.5D204 Q205 R206 F208 L321 Y322 A325T202-D204 WeakPolarHBondContact CB-OD1 3.06Å; T202-D204 PolarHBondContact O-N 3.46Å; T202-D204 PolarHBondContact OG1-OD1 3.49Å; T202-Q205 PolarHBondContact O-N 3.25Å; T202-Q205 VanDerWaalsContact O-N 3.14Å; T202-R206 HydrophobicContact CG2-CB 4.33Å; T202-R206 PolarHBondContact N-O 3.47Å; T202-R206 WeakPolarHBondContact OG1-CA 3.18Å; T202-R206 VanDerWaalsContact OG1-CB 3.28Å; T202-R206 WeakPolarHBondContact OG1-CB 3.31Å; T202-R206 PolarHBondContact OG1-N 3.04Å; T202-R206 PolarHBondContact OG1-O 2.98Å; T202-R206 VanDerWaalsContact OG1-O 3.12Å; T202-F208 HydrophobicContact CG2-CE1 4.14Å; T202-L321 HydrophobicContact CG2-CB 4.06Å; T202-Y322 HydrophobicContact CG2-CD1 4.43Å; T202-A325 HydrophobicContact CG2-CB 3.75Å
203P84.1Confident78.2Confident64 Ų6436.3 Ų36.342%0.41619%0.186SC..THydrogen-bonded Turntrans-63.4-24.1174.3-18.328.9000113.7Q205 D318 Y322P203-Q205 PolarHBondContact O-N 3.38Å; P203-D318 HydrophobicContact CG-CB 4.29Å; P203-Y322 VanDerWaalsContact CB-OH 3.31Å; P203-Y322 WeakPolarHBondContact CB-OH 3.48Å; P203-Y322 HydrophobicContact CG-CE1 4.35Å; P203-Y322 WeakPolarHBondContact CG-OH 3.41Å
204D84.7Confident78.3Confident75 Ų7534.8 Ų34.840%0.40118%0.181SC..THydrogen-bonded Turntrans-86.819.2174.269.2-4.9000113.8T202 R206 Y322T202-D204 WeakPolarHBondContact CB-OD1 3.06Å; T202-D204 PolarHBondContact O-N 3.46Å; T202-D204 PolarHBondContact OG1-OD1 3.49Å; D204-R206 VanDerWaalsContact C-N 3.32Å; D204-R206 PolarHBondContact O-N 3.38Å; D204-R206 IonicContact OD1-CZ 2.67Å; D204-R206 IonicContact OD1-NE 2.78Å; D204-R206 PolarHBondContact OD1-NE 3.26Å; D204-R206 IonicContact OD1-NH2 3.54Å; D204-R206 IonicContact OD2-CZ 3.88Å; D204-R206 IonicContact OD2-NE 2.8Å; D204-R206 PolarHBondContact OD2-NE 3.2Å; D204-R206 IonicContact OD2-NH2 2.87Å; D204-R206 PolarHBondContact OD2-NH2 2.88Å; D204-Y322 HydrophobicContact CB-CE1 4.1Å
205Q78.3Confident78Confident158 Ų15827.6 Ų27.674%0.73815%0.152SC*.SBendtrans72.711.4169.9-57.1-75.5100.500116.2T202 P203T202-Q205 PolarHBondContact O-N 3.25Å; T202-Q205 VanDerWaalsContact O-N 3.14Å; P203-Q205 PolarHBondContact O-N 3.38Å
206R82.8Confident77.3Confident44 Ų4427.9 Ų27.917%0.16615%0.153CC..  trans-75148.2167-56.2178-82.5176.1-6.8109.7S201 T202 D204 D326 E329S201-R206 CarbonylContact C-O 3.58Å; S201-R206 WeakPolarHBondContact CA-O 3.12Å; S201-R206 WeakPolarHBondContact CB-O 3.33Å; T202-R206 HydrophobicContact CG2-CB 4.33Å; T202-R206 PolarHBondContact N-O 3.47Å; T202-R206 WeakPolarHBondContact OG1-CA 3.18Å; T202-R206 VanDerWaalsContact OG1-CB 3.28Å; T202-R206 WeakPolarHBondContact OG1-CB 3.31Å; T202-R206 PolarHBondContact OG1-N 3.04Å; T202-R206 PolarHBondContact OG1-O 2.98Å; T202-R206 VanDerWaalsContact OG1-O 3.12Å; D204-R206 VanDerWaalsContact C-N 3.32Å; D204-R206 PolarHBondContact O-N 3.38Å; D204-R206 IonicContact OD1-CZ 2.67Å; D204-R206 IonicContact OD1-NE 2.78Å; D204-R206 PolarHBondContact OD1-NE 3.26Å; D204-R206 IonicContact OD1-NH2 3.54Å; D204-R206 IonicContact OD2-CZ 3.88Å; D204-R206 IonicContact OD2-NE 2.8Å; D204-R206 PolarHBondContact OD2-NE 3.2Å; D204-R206 IonicContact OD2-NH2 2.87Å; D204-R206 PolarHBondContact OD2-NH2 2.88Å; R206-D326 IonicContact CZ-OD1 3.15Å; R206-D326 IonicContact NH1-OD1 2.68Å; R206-D326 PolarHBondContact NH1-OD1 2.86Å; R206-D326 IonicContact NH2-OD1 2.81Å; R206-D326 PolarHBondContact NH2-OD1 2.9Å; R206-D326 VanDerWaalsContact NH2-OD1 3.08Å; R206-E329 WeakPolarHBondContact CD-OE1 3.41Å; R206-E329 IonicContact CZ-OE1 3.42Å; R206-E329 IonicContact NE-OE1 2.76Å; R206-E329 IonicContact NH1-OE1 3.24Å; R206-E329 PolarHBondContact NH1-OE1 2.88Å
207S81.2Confident76Confident33 Ų3325.3 Ų25.323%0.23114%0.138CC..EExtended strand (participates in β ladder)trans-135.6140.8-179.163.70000111.6R53 V200R53-S207 WeakPolarHBondContact CD-O 3.3Å; R53-S207 PolarHBondContact NH1-O 2.83Å; V200-S207 VanDerWaalsContact O-CA 3.27Å; V200-S207 WeakPolarHBondContact O-CA 3.38Å
208F82.1Confident74.4Confident1 Ų131.2 Ų31.20%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-150.2162.7177.257.6-92.5000110D160 V161 V200 T202 M210 L321 I324 A325 L328D160-F208 HydrophobicContact CB-CB 4.07Å; D160-F208 VanDerWaalsContact OD2-CA 3.3Å; D160-F208 WeakPolarHBondContact OD2-CA 3.35Å; D160-F208 WeakPolarHBondContact OD2-CB 3.21Å; V161-F208 HydrophobicContact CB-CD2 4.41Å; V161-F208 HydrophobicContact CG2-CD2 3.61Å; V161-F208 HydrophobicContact CG2-CE2 3.85Å; V161-F208 HydrophobicContact CG2-CG 4.48Å; V200-F208 HydrophobicContact CB-CD2 4.02Å; V200-F208 HydrophobicContact CB-CE1 4.18Å; V200-F208 HydrophobicContact CB-CE2 3.64Å; V200-F208 HydrophobicContact CB-CG 4.45Å; V200-F208 HydrophobicContact CB-CZ 3.73Å; V200-F208 HydrophobicContact CG1-CE1 3.95Å; V200-F208 HydrophobicContact CG1-CE2 3.95Å; V200-F208 HydrophobicContact CG1-CZ 3.53Å; V200-F208 HydrophobicContact CG2-CD2 4.4Å; V200-F208 HydrophobicContact CG2-CE2 3.92Å; V200-F208 HydrophobicContact CG2-CZ 4.36Å; V200-F208 PolarHBondContact N-O 3.43Å; V200-F208 PolarHBondContact O-N 2.69Å; V200-F208 VanDerWaalsContact O-N 3.08Å; T202-F208 HydrophobicContact CG2-CE1 4.14Å; F208-M210 HydrophobicContact CE2-CB 4.49Å; F208-M210 HydrophobicContact CE2-CE 3.88Å; F208-M210 HydrophobicContact CZ-CE 4.49Å; F208-L321 HydrophobicContact CZ-CD2 4.17Å; F208-I324 HydrophobicContact CD2-CG2 4.28Å; F208-I324 HydrophobicContact CE1-CG2 4.11Å; F208-I324 HydrophobicContact CE2-CG2 3.63Å; F208-I324 HydrophobicContact CZ-CB 4.11Å; F208-I324 HydrophobicContact CZ-CG2 3.53Å; F208-A325 HydrophobicContact CE1-CB 4.38Å; F208-L328 HydrophobicContact CB-CD1 3.58Å; F208-L328 HydrophobicContact CD1-CD1 4Å; F208-L328 HydrophobicContact CD2-CD1 4.09Å; F208-L328 HydrophobicContact CG-CD1 3.64Å
209V79.6Confident72.4Confident2 Ų233.6 Ų33.61%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-102.3121.3-179.9-174.90000109.2F2 L157 D160 V161 P183 L197F2-V209 HydrophobicContact CE2-CG2 4.46Å; L157-V209 HydrophobicContact CD1-CG1 4.17Å; L157-V209 HydrophobicContact CD1-CG2 3.75Å; L157-V209 HydrophobicContact CD2-CG2 3.69Å; L157-V209 HydrophobicContact CG-CG2 4.23Å; D160-V209 WeakPolarHBondContact CB-O 3.38Å; D160-V209 PolarHBondContact N-O 3.31Å; D160-V209 PolarHBondContact OD2-N 3.48Å; V161-V209 PolarHBondContact N-O 2.81Å; P183-V209 HydrophobicContact CG-CG1 4.45Å; L197-V209 HydrophobicContact CB-CG1 4.44Å; L197-V209 HydrophobicContact CD2-CG1 3.89Å
210M84.9Confident70.5Confident0 Ų037.7 Ų37.70%022%0.224CC..EExtended strand (participates in β ladder)trans-104135.9175.8-173.7-177-76.700109.3V161 L163 L175 V178 L197 G198 V200 F208 I324V161-M210 HydrophobicContact CB-CB 4.38Å; V161-M210 HydrophobicContact CB-CG 4.25Å; V161-M210 HydrophobicContact CG1-CE 4.22Å; V161-M210 HydrophobicContact CG1-CG 4.27Å; V161-M210 CarbonylContact O-C 3.55Å; V161-M210 WeakPolarHBondContact O-CA 3.03Å; L163-M210 HydrophobicContact CD1-CG 4Å; L163-M210 HydrophobicContact CD1-SD 3.58Å; L163-M210 VanDerWaalsContact CD1-SD 3.58Å; L163-M210 HydrophobicContact CD2-CE 4.31Å; L163-M210 HydrophobicContact CD2-CG 4.27Å; L163-M210 HydrophobicContact CD2-SD 3.69Å; L163-M210 HydrophobicContact CG-CG 3.78Å; L163-M210 HydrophobicContact CG-SD 3.67Å; L175-M210 HydrophobicContact CD1-CB 3.78Å; L175-M210 HydrophobicContact CD1-CG 3.82Å; L175-M210 HydrophobicContact CD1-SD 3.91Å; V178-M210 HydrophobicContact CG2-CE 4.45Å; V178-M210 HydrophobicContact CG2-SD 4.13Å; L197-M210 CarbonylContact C-O 3.49Å; L197-M210 WeakPolarHBondContact CA-O 3.43Å; G198-M210 PolarHBondContact N-O 2.83Å; G198-M210 PolarHBondContact O-N 3.06Å; V200-M210 HydrophobicContact CG2-CB 3.82Å; V200-M210 HydrophobicContact CG2-CE 4.26Å; V200-M210 HydrophobicContact CG2-SD 4.42Å; F208-M210 HydrophobicContact CE2-CB 4.49Å; F208-M210 HydrophobicContact CE2-CE 3.88Å; F208-M210 HydrophobicContact CZ-CE 4.49Å; M210-I324 HydrophobicContact CE-CD1 3.87Å
211A80.3Confident68.1Low2 Ų243.2 Ų43.22%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-111132.3171.300000110.6A159 V161 L163 N196 L197 L213A159-A211 HydrophobicContact CB-CB 3.47Å; A159-A211 VanDerWaalsContact CB-CB 3.47Å; V161-A211 PolarHBondContact O-N 3.46Å; L163-A211 PolarHBondContact N-O 2.84Å; N196-A211 WeakPolarHBondContact O-CA 3.39Å; L197-A211 HydrophobicContact CD2-CB 3.65Å; A211-L213 HydrophobicContact CB-CD2 3.86Å; A211-L213 PolarHBondContact O-N 2.85Å
212D80.1Confident65.7Low9 Ų948.5 Ų48.55%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-76.4114.1154.6-1720.9000107.5K171 S172 L175 N196 P214K171-D212 VanDerWaalsContact CE-OD1 3.31Å; K171-D212 WeakPolarHBondContact CE-OD1 3.27Å; K171-D212 IonicContact NZ-OD1 3.5Å; K171-D212 PolarHBondContact NZ-OD1 3.48Å; S172-D212 PolarHBondContact OG-OD2 2.83Å; L175-D212 HydrophobicContact CD2-CB 3.89Å; N196-D212 HydrophobicContact CB-CB 4.14Å; N196-D212 PolarHBondContact O-N 3.42Å; D212-P214 WeakPolarHBondContact O-CD 3.32Å
213L69.5Low63.5Low5 Ų552.8 Ų52.83%0.02633%0.333CS..  trans-83.7108.8179.6-57.2179.8000108.9L163 V164 K171 A211 L216 V234L163-L213 PolarHBondContact O-N 2.91Å; V164-L213 HydrophobicContact CG1-CD1 3.9Å; K171-L213 PolarHBondContact NZ-O 3.01Å; A211-L213 HydrophobicContact CB-CD2 3.86Å; A211-L213 PolarHBondContact O-N 2.85Å; L213-L216 HydrophobicContact CD1-CD1 4.23Å; L213-V234 HydrophobicContact CD1-CG1 3.4Å; L213-V234 VanDerWaalsContact CD1-CG1 3.4Å; L213-V234 HydrophobicContact CD2-CB 3.99Å; L213-V234 HydrophobicContact CD2-CG1 3.42Å; L213-V234 VanDerWaalsContact CD2-CG1 3.42Å; L213-V234 HydrophobicContact CD2-CG2 3.49Å; L213-V234 VanDerWaalsContact CD2-CG2 3.49Å; L213-V234 HydrophobicContact CG-CG1 4Å
214P57.6Low61.2Low29 Ų2955.7 Ų55.719%0.18835%0.349CS..  trans-75.3139.4169.130.5-32.1000109.8I193 D212 F230I193-P214 HydrophobicContact CB-CG 4.34Å; I193-P214 HydrophobicContact CG2-CB 3.78Å; I193-P214 HydrophobicContact CG2-CG 3.46Å; I193-P214 VanDerWaalsContact CG2-CG 3.46Å; D212-P214 WeakPolarHBondContact O-CD 3.32Å; P214-F230 HydrophobicContact CG-CZ 4.11Å
215G54.9Low59.1Low9 Ų955.3 Ų55.39%0.09336%0.363CS..  trans105.1-5.9161.900000119.6I217 L226G215-I217 PolarHBondContact O-N 3.36Å; G215-L226 WeakPolarHBondContact O-CD1 3.48Å
216L52.2Low57.4Low22 Ų2250.1 Ų50.112%0.11534%0.34CS..SBendtrans-75.920175.6-73.6169000114.4V164 L213 E264 L265 Y268V164-L216 HydrophobicContact CB-CD1 4.4Å; V164-L216 HydrophobicContact CG1-CD1 3.5Å; V164-L216 VanDerWaalsContact CG1-CD1 3.5Å; L213-L216 HydrophobicContact CD1-CD1 4.23Å; L216-E264 WeakPolarHBondContact CA-OE1 3.35Å; L216-E264 HydrophobicContact CD2-CG 4.48Å; L216-L265 HydrophobicContact CD1-CD2 3.81Å; L216-L265 HydrophobicContact CD2-CD2 4.37Å; L216-Y268 HydrophobicContact CD2-CD2 4.07Å; L216-Y268 HydrophobicContact CD2-CE2 3.35Å
217I47.5Very low55.5Low37 Ų3750 Ų5019%0.1935%0.353CS..SBendtrans-172.9-8.7-173.512.9166.3000111.8G165 F166 G215 G219 E264G165-I217 WeakPolarHBondContact O-CD1 3.39Å; F166-I217 HydrophobicContact CB-CD1 4.37Å; F166-I217 HydrophobicContact CD1-CD1 4.35Å; F166-I217 HydrophobicContact CD1-CG2 4.07Å; F166-I217 HydrophobicContact CE1-CG2 3.62Å; F166-I217 HydrophobicContact CE2-CG2 4.48Å; F166-I217 HydrophobicContact CG-CD1 4.28Å; F166-I217 HydrophobicContact CZ-CG2 3.86Å; G215-I217 PolarHBondContact O-N 3.36Å; I217-G219 VanDerWaalsContact C-N 3.25Å; I217-G219 PolarHBondContact O-N 3.02Å; I217-E264 PolarHBondContact N-OE1 2.83Å
218E45Very low53.5Low141 Ų14155 Ų5566%0.65937%0.372SS*.SBendtrans-73.284167.9-71.6-176169.700108.8
219G40Very low51.4Low49 Ų4959.5 Ų59.551%0.50539%0.393SS..  trans92.656.4159.700000116.6I217 S221 D222I217-G219 VanDerWaalsContact C-N 3.25Å; I217-G219 PolarHBondContact O-N 3.02Å; G219-S221 PolarHBondContact O-N 3.23Å; G219-D222 PolarHBondContact O-N 2.92Å
220A39.3Very low49.7Very low89 Ų8960.1 Ų60.174%0.73640%0.396SS*.THydrogen-bonded Turntrans-59.533.1164.300000115.1
221S37.1Very low47.9Very low116 Ų11661 Ų6181%0.81140%0.4SS*.THydrogen-bonded Turntrans-140.3-16.3169.8-65.70000114.2G219G219-S221 PolarHBondContact O-N 3.23Å
222D33.5Very low46.2Very low134 Ų13467.1 Ų67.172%0.71742%0.423SS*.SBendtrans-110.3102.2173.7-73.9-28000107.9G219 V224G219-D222 PolarHBondContact O-N 2.92Å; D222-V224 PolarHBondContact O-N 2.79Å
223G38Very low44.6Very low89 Ų8968.2 Ų68.292%0.91843%0.428SS*.  trans-62.146.1-177.900000115.8G225G223-G225 VanDerWaalsContact C-N 3.29Å; G223-G225 PolarHBondContact O-N 3.42Å; G223-G225 VanDerWaalsContact O-N 3.13Å
224V37.2Very low43.9Very low126 Ų12668.5 Ų68.576%0.76443%0.43SS*.  trans-81.684.5167.5-173.30000106D222 L226D222-V224 PolarHBondContact O-N 2.79Å; V224-L226 PolarHBondContact O-N 2.8Å
225G40.6Very low43.6Very low67 Ų6767.9 Ų67.969%0.69142%0.424SS*.  trans-47.6112.7176.500000110.3G223 G227G223-G225 VanDerWaalsContact C-N 3.29Å; G223-G225 PolarHBondContact O-N 3.42Å; G223-G225 VanDerWaalsContact O-N 3.13Å; G225-G227 VanDerWaalsContact C-N 3.29Å; G225-G227 PolarHBondContact O-N 3.27Å
226L42.7Very low43.8Very low49 Ų4971.3 Ų71.326%0.25743%0.434SS..  trans-51.7104.4157.7-84.1136.1000105.3I193 G215 V224 H228 F230I193-L226 HydrophobicContact CD1-CD2 4.38Å; G215-L226 WeakPolarHBondContact O-CD1 3.48Å; V224-L226 PolarHBondContact O-N 2.8Å; L226-H228 PolarHBondContact O-N 3.4Å; L226-F230 HydrophobicContact CD2-CD1 4.19Å; L226-F230 HydrophobicContact CD2-CE1 4.32Å
227G41.9Very low44.7Very low41 Ų4170.2 Ų70.242%0.42343%0.429SS..  trans-51.7134.1-164.900000110.7G225 Q229 F230G225-G227 VanDerWaalsContact C-N 3.29Å; G225-G227 PolarHBondContact O-N 3.27Å; G227-Q229 PolarHBondContact O-N 3.13Å; G227-F230 PolarHBondContact O-N 3.5Å
228H39.7Very low46Very low138 Ų13869.7 Ų69.764%0.63943%0.425SS*.Hα-helixtrans-40.7-21.2176-106.4-71.3000114.8L226L226-H228 PolarHBondContact O-N 3.4Å
229Q38.6Very low48Very low96 Ų9663 Ų6345%0.44939%0.393SS..Hα-helixtrans-84.9-30.4-179.8-58.6-173.615.700114.6F190 G227 L231 R232F190-Q229 HydrophobicContact CB-CB 3.7Å; F190-Q229 HydrophobicContact CB-CG 4.44Å; F190-Q229 HydrophobicContact CD1-CB 4.22Å; F190-Q229 VanDerWaalsContact CD2-C 3.49Å; F190-Q229 HydrophobicContact CD2-CB 3.53Å; F190-Q229 WeakPolarHBondContact CD2-O 3.18Å; F190-Q229 HydrophobicContact CE2-CB 4.16Å; F190-Q229 WeakPolarHBondContact CE2-O 3.43Å; F190-Q229 HydrophobicContact CG-CB 3.56Å; G227-Q229 PolarHBondContact O-N 3.13Å; Q229-L231 PolarHBondContact O-N 3.26Å; Q229-R232 PolarHBondContact O-N 3.38Å
230F43.5Very low50.3Low15 Ų1560.7 Ų60.77%0.06637%0.37CS..Hα-helixtrans-63.1-33.5172.9172.9-102.8000111T191 I193 P214 L226 G227 R232 H233 V234T191-F230 HydrophobicContact CG2-CD2 3.83Å; I193-F230 WeakPolarHBondContact O-CE2 3.47Å; P214-F230 HydrophobicContact CG-CZ 4.11Å; L226-F230 HydrophobicContact CD2-CD1 4.19Å; L226-F230 HydrophobicContact CD2-CE1 4.32Å; G227-F230 PolarHBondContact O-N 3.5Å; F230-R232 PolarHBondContact O-N 3.04Å; F230-H233 PolarHBondContact O-N 3.42Å; F230-V234 HydrophobicContact CE1-CG2 4.08Å; F230-V234 HydrophobicContact CZ-CG2 4.32Å
231L46.9Very low52.8Low18 Ų1856.4 Ų56.49%0.09434%0.335CS..Hα-helixtrans-64.7-35.6-178.2-63.1174.7000111.7Q229 H233 V234 E235 Y268Q229-L231 PolarHBondContact O-N 3.26Å; L231-H233 PolarHBondContact O-N 2.97Å; L231-V234 CarbonylContact O-C 3.53Å; L231-V234 WeakPolarHBondContact O-CA 3.41Å; L231-V234 PolarHBondContact O-N 3.15Å; L231-E235 VanDerWaalsContact C-CG 3.45Å; L231-E235 HydrophobicContact CB-CG 4.01Å; L231-E235 WeakPolarHBondContact CB-OE1 3.3Å; L231-E235 WeakPolarHBondContact O-CA 3.47Å; L231-E235 WeakPolarHBondContact O-CB 3.38Å; L231-E235 WeakPolarHBondContact O-CG 3.44Å; L231-E235 PolarHBondContact O-N 3.35Å; L231-Y268 HydrophobicContact CD1-CD1 3.87Å; L231-Y268 HydrophobicContact CD1-CE1 3.94Å
232R43.6Very low55.3Low130 Ų13050.9 Ų50.949%0.49130%0.296SS..Hα-helixtrans-50.1-28.4176.9-85.6-173.4-63.9-172.3-3.6117.1Q229 F230 E235Q229-R232 PolarHBondContact O-N 3.38Å; F230-R232 PolarHBondContact O-N 3.04Å; R232-E235 WeakPolarHBondContact CA-OE2 3.37Å; R232-E235 WeakPolarHBondContact CG-OE2 3.29Å; R232-E235 PolarHBondContact N-OE1 2.95Å; R232-E235 PolarHBondContact N-OE2 3.08Å
233H47.9Very low58Low33 Ų3344.5 Ų44.515%0.15326%0.262CS..Hα-helixtrans-81.3-33175.8-7782.5000113.9Y188 F190 F230 L231Y188-H233 AromaticContact CD1-CE1 3.57Å; Y188-H233 AromaticContact CD2-CE1 3.68Å; Y188-H233 AromaticContact CD2-NE2 3.87Å; Y188-H233 AromaticContact CE1-CE1 3.26Å; Y188-H233 WeakPolarHBondContact CE1-CE1 3.35Å; Y188-H233 AromaticContact CE1-NE2 3.39Å; Y188-H233 WeakPolarHBondContact CE1-NE2 3.3Å; Y188-H233 AromaticContact CE2-CD2 3.61Å; Y188-H233 AromaticContact CE2-CE1 3.39Å; Y188-H233 WeakPolarHBondContact CE2-CE1 3.39Å; Y188-H233 AromaticContact CE2-NE2 3.11Å; Y188-H233 WeakPolarHBondContact CE2-NE2 3.4Å; Y188-H233 AromaticContact CG-CE1 3.77Å; Y188-H233 AromaticContact CZ-CD2 3.76Å; Y188-H233 AromaticContact CZ-CE1 3.18Å; Y188-H233 AromaticContact CZ-NE2 2.82Å; Y188-H233 PolarHBondContact OH-NE2 3.38Å; F190-H233 AromaticContact CE2-ND1 3.81Å; F190-H233 AromaticContact CZ-CE1 3.82Å; F230-H233 PolarHBondContact O-N 3.42Å; L231-H233 PolarHBondContact O-N 2.97Å
234V54.1Low60.6Low11 Ų1140.3 Ų40.37%0.06722%0.218CC..Hα-helixtrans-84.1-35.3178.2176.80000110.7L213 F230 L231 R236 T237L213-V234 HydrophobicContact CD1-CG1 3.4Å; L213-V234 VanDerWaalsContact CD1-CG1 3.4Å; L213-V234 HydrophobicContact CD2-CB 3.99Å; L213-V234 HydrophobicContact CD2-CG1 3.42Å; L213-V234 VanDerWaalsContact CD2-CG1 3.42Å; L213-V234 HydrophobicContact CD2-CG2 3.49Å; L213-V234 VanDerWaalsContact CD2-CG2 3.49Å; L213-V234 HydrophobicContact CG-CG1 4Å; F230-V234 HydrophobicContact CE1-CG2 4.08Å; F230-V234 HydrophobicContact CZ-CG2 4.32Å; L231-V234 CarbonylContact O-C 3.53Å; L231-V234 WeakPolarHBondContact O-CA 3.41Å; L231-V234 PolarHBondContact O-N 3.15Å; V234-R236 PolarHBondContact O-N 3.08Å; V234-T237 WeakPolarHBondContact O-CB 3.04Å; V234-T237 VanDerWaalsContact O-CG2 3.28Å; V234-T237 WeakPolarHBondContact O-CG2 3.3Å; V234-T237 PolarHBondContact O-N 3.48Å; V234-T237 PolarHBondContact O-OG1 2.83Å
235E51.8Low63.3Low16 Ų1634.4 Ų34.48%0.07518%0.183CC..THydrogen-bonded Turntrans-59.6-8172.5-76.2164.8-161.600112.4L231 R232 Q270 R275L231-E235 VanDerWaalsContact C-CG 3.45Å; L231-E235 HydrophobicContact CB-CG 4.01Å; L231-E235 WeakPolarHBondContact CB-OE1 3.3Å; L231-E235 WeakPolarHBondContact O-CA 3.47Å; L231-E235 WeakPolarHBondContact O-CB 3.38Å; L231-E235 WeakPolarHBondContact O-CG 3.44Å; L231-E235 PolarHBondContact O-N 3.35Å; R232-E235 WeakPolarHBondContact CA-OE2 3.37Å; R232-E235 WeakPolarHBondContact CG-OE2 3.29Å; R232-E235 PolarHBondContact N-OE1 2.95Å; R232-E235 PolarHBondContact N-OE2 3.08Å; E235-Q270 VanDerWaalsContact CD-CD 3.42Å; E235-Q270 PolarHBondContact OE1-NE2 3.01Å; E235-Q270 PolarHBondContact OE1-OE1 3.35Å; E235-Q270 PolarHBondContact OE2-OE1 2.93Å; E235-R275 PolarHBondContact O-NH1 2.82Å; E235-R275 PolarHBondContact O-NH2 3.3Å
236R58.9Low65.8Low80 Ų8031.2 Ų31.230%0.30215%0.15SC..THydrogen-bonded Turntrans-104.35.2172-66.1-170.6-177.2162.3-8.7114.5L158 V234 K238 F336L158-R236 HydrophobicContact CB-CB 4.33Å; L158-R236 HydrophobicContact CD1-CB 4.32Å; L158-R236 VanDerWaalsContact CD1-CD 3.44Å; L158-R236 HydrophobicContact CD2-CB 4.29Å; L158-R236 HydrophobicContact CD2-CG 4.5Å; V234-R236 PolarHBondContact O-N 3.08Å; R236-K238 PolarHBondContact O-N 3.1Å; R236-F336 HydrophobicContact CB-CE1 4.35Å; R236-F336 HydrophobicContact CB-CZ 4.28Å; R236-F336 HydrophobicContact CG-CD1 4.33Å; R236-F336 HydrophobicContact CG-CE1 4.1Å; R236-F336 HydrophobicContact CG-CZ 4.35Å
237T71.1Confident68Low0 Ų029.7 Ų29.70%014%0.143CC..  trans-62117.6169.653.10000109.7A159 D160 V234 V239 I240 R275A159-T237 HydrophobicContact CB-CG2 3.74Å; A159-T237 WeakPolarHBondContact O-CA 3.16Å; A159-T237 WeakPolarHBondContact O-CG2 3.32Å; A159-T237 PolarHBondContact O-N 2.71Å; D160-T237 CarbonylContact O-C 3.57Å; D160-T237 WeakPolarHBondContact O-CA 3.15Å; V234-T237 WeakPolarHBondContact O-CB 3.04Å; V234-T237 VanDerWaalsContact O-CG2 3.28Å; V234-T237 WeakPolarHBondContact O-CG2 3.3Å; V234-T237 PolarHBondContact O-N 3.48Å; V234-T237 PolarHBondContact O-OG1 2.83Å; T237-V239 VanDerWaalsContact C-N 3.31Å; T237-I240 VanDerWaalsContact OG1-CD1 3.32Å; T237-I240 WeakPolarHBondContact OG1-CD1 3.08Å; T237-R275 VanDerWaalsContact O-CD 3.28Å; T237-R275 WeakPolarHBondContact O-CD 3.43Å; T237-R275 PolarHBondContact O-NH1 2.73Å
238K75.7Confident69.9Low25 Ų2528.6 Ų28.611%0.10913%0.132CC..SBendtrans-73.1-29.2179.3-65.8-170.5177.6-159.50111E50 D160 R236 L328 Y331 K332E50-K238 IonicContact OE2-NZ 3.79Å; E50-K238 PolarHBondContact OE2-NZ 3.33Å; D160-K238 PolarHBondContact O-N 3.48Å; R236-K238 PolarHBondContact O-N 3.1Å; K238-L328 HydrophobicContact CB-CD2 3.77Å; K238-Y331 HydrophobicContact CB-CD1 4.47Å; K238-K332 PolarHBondContact NZ-O 3.2Å
239V86.4Confident71.8Confident0 Ų023.8 Ų23.80%011%0.114CC..EExtended strand (participates in β ladder)trans-130.3136-178.5176.30000110.6D160 V161 G162 T237 V241 P276 I278 K327 L328D160-V239 PolarHBondContact O-N 3.35Å; V161-V239 WeakPolarHBondContact CA-O 3.5Å; G162-V239 PolarHBondContact N-O 2.83Å; T237-V239 VanDerWaalsContact C-N 3.31Å; V239-V241 HydrophobicContact CG1-CG2 4.24Å; V239-P276 HydrophobicContact CG2-CB 4.39Å; V239-I278 HydrophobicContact CG1-CD1 4.22Å; V239-I278 HydrophobicContact CG1-CG1 4.39Å; V239-K327 HydrophobicContact CG2-CB 3.93Å; V239-L328 HydrophobicContact CB-CD2 4.23Å; V239-L328 HydrophobicContact CG2-CD2 3.71Å; V239-L328 HydrophobicContact CG2-CG 3.98Å
240I87.2Confident73.6Confident1 Ų126 Ų261%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-101.4130.9172-55.3-60000109.2V164 T237 H242 L265 L272 R275 P276 Q277 I278V164-I240 HydrophobicContact CB-CG2 4.46Å; V164-I240 HydrophobicContact CG1-CG2 3.98Å; V164-I240 HydrophobicContact CG2-CG2 3.6Å; T237-I240 VanDerWaalsContact OG1-CD1 3.32Å; T237-I240 WeakPolarHBondContact OG1-CD1 3.08Å; I240-H242 WeakPolarHBondContact CG2-NE2 3.13Å; I240-L265 HydrophobicContact CG2-CD1 4.25Å; I240-L272 HydrophobicContact CD1-CD2 4.34Å; I240-R275 HydrophobicContact CG1-CB 4.44Å; I240-P276 PolarHBondContact N-O 2.79Å; I240-Q277 CarbonylContact O-C 3.51Å; I240-Q277 WeakPolarHBondContact O-CA 3.36Å; I240-I278 PolarHBondContact O-N 2.85Å
241V91.7Very high75.3Confident0 Ų028.9 Ų28.90%016%0.158CC..EExtended strand (participates in β ladder)trans-114.1109179.1173.70000108.5V161 G162 L163 V164 V239 I278 V280 I324V161-V241 HydrophobicContact CG1-CB 4.16Å; V161-V241 HydrophobicContact CG1-CG2 3.4Å; V161-V241 VanDerWaalsContact CG1-CG2 3.4Å; G162-V241 PolarHBondContact O-N 3.02Å; L163-V241 WeakPolarHBondContact CA-O 3.24Å; L163-V241 HydrophobicContact CD2-CB 3.91Å; L163-V241 HydrophobicContact CD2-CG1 3.69Å; V164-V241 PolarHBondContact N-O 3.45Å; V239-V241 HydrophobicContact CG1-CG2 4.24Å; V241-I278 CarbonylContact C-O 3.57Å; V241-I278 WeakPolarHBondContact CA-O 3.2Å; V241-I278 HydrophobicContact CG2-CB 4.46Å; V241-V280 HydrophobicContact CG1-CB 4.46Å; V241-V280 HydrophobicContact CG1-CG2 3.42Å; V241-V280 VanDerWaalsContact CG1-CG2 3.42Å; V241-I324 HydrophobicContact CG2-CD1 3.87Å; V241-I324 HydrophobicContact CG2-CG1 3.92Å
242H90.6Very high76.9Confident0 Ų030.1 Ų30.10%016%0.161CC..EExtended strand (participates in β ladder)trans-85.3113.8-179.9-69.2-109.1000109.8V164 I240 Y258 N262 L265 Q277 I278 V279 V280V164-H242 HydrophobicContact CG2-CB 4.26Å; I240-H242 WeakPolarHBondContact CG2-NE2 3.13Å; H242-Y258 HydrophobicContact CB-CD2 4.4Å; H242-Y258 HydrophobicContact CB-CE2 4.4Å; H242-Y258 AromaticContact CG-CE2 3.97Å; H242-Y258 AromaticContact ND1-CD2 3.89Å; H242-Y258 AromaticContact ND1-CE2 3.75Å; H242-N262 PolarHBondContact CE1-OD1 2.92Å; H242-L265 VanDerWaalsContact CE1-CD1 3.49Å; H242-L265 WeakPolarHBondContact CE1-CD1 3.11Å; H242-Q277 VanDerWaalsContact NE2-CD 3.34Å; H242-Q277 PolarHBondContact NE2-OE1 2.91Å; H242-I278 PolarHBondContact N-O 2.94Å; H242-V279 HydrophobicContact CB-CG2 4.16Å; H242-V280 PolarHBondContact O-N 2.73Å
243M91Very high79Confident0 Ų028.8 Ų28.80%016%0.161CC..EExtended strand (participates in β ladder)trans-96.6111176.1-158.3165.7-174.100109.9V164 G165 V169 G170 K171 L174 V280 N282 T311V164-M243 PolarHBondContact O-N 2.75Å; G165-M243 WeakPolarHBondContact CA-O 3.27Å; V169-M243 HydrophobicContact CB-CG 4.49Å; V169-M243 HydrophobicContact CG2-CB 3.88Å; V169-M243 HydrophobicContact CG2-CG 3.96Å; V169-M243 WeakPolarHBondContact CG2-O 3.48Å; V169-M243 HydrophobicContact CG2-SD 4.41Å; G170-M243 VanDerWaalsContact C-CE 3.44Å; G170-M243 WeakPolarHBondContact O-CE 3.17Å; K171-M243 WeakPolarHBondContact CA-SD 3.5Å; K171-M243 HydrophobicContact CB-SD 4.34Å; K171-M243 HydrophobicContact CG-CB 4.12Å; K171-M243 HydrophobicContact CG-SD 4.12Å; K171-M243 PolarHBondContact N-SD 2.82Å; L174-M243 HydrophobicContact CB-CE 3.95Å; L174-M243 HydrophobicContact CB-SD 4.11Å; L174-M243 HydrophobicContact CD2-CE 4.37Å; L174-M243 HydrophobicContact CD2-SD 4.14Å; M243-V280 HydrophobicContact CG-CB 4.47Å; M243-V280 HydrophobicContact CG-CG1 4.38Å; M243-N282 HydrophobicContact CE-CB 3.72Å; M243-N282 VanDerWaalsContact CE-CG 3.41Å; M243-N282 WeakPolarHBondContact CE-ND2 3.43Å; M243-N282 HydrophobicContact CG-CB 4.29Å; M243-T311 HydrophobicContact CE-CG2 3.5Å; M243-T311 VanDerWaalsContact CE-CG2 3.5Å
244I92.4Very high81Confident1 Ų127.5 Ų27.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-114.6137.3-177.4-54.2-61000109M246 P254 D257 Y258 I261 V279 V280 N282 F296I244-M246 HydrophobicContact CB-CE 3.85Å; I244-M246 HydrophobicContact CG2-CE 3.56Å; I244-P254 HydrophobicContact CG2-CB 3.75Å; I244-P254 WeakPolarHBondContact CG2-O 3.43Å; I244-D257 HydrophobicContact CD1-CB 4.36Å; I244-Y258 HydrophobicContact CD1-CD2 4.46Å; I244-I261 HydrophobicContact CD1-CD1 3.78Å; I244-V279 HydrophobicContact CG1-CG1 4.07Å; I244-V280 PolarHBondContact N-O 3.37Å; I244-N282 PolarHBondContact O-N 3.08Å; I244-F296 HydrophobicContact CG2-CE2 4.41Å
245D92.2Very high82.7Confident2 Ų227.9 Ų27.91%0.01116%0.157CC..EExtended strand (participates in β ladder)trans-87.3107.9176.4178.94.2000110.9V169 S247 S249 K283V169-D245 HydrophobicContact CB-CB 4.4Å; V169-D245 HydrophobicContact CG1-CB 4.08Å; D245-S247 VanDerWaalsContact C-N 3.28Å; D245-S247 VanDerWaalsContact CG-OG 3.28Å; D245-S247 PolarHBondContact O-N 2.84Å; D245-S247 WeakPolarHBondContact OD1-CB 3Å; D245-S247 PolarHBondContact OD1-N 3.34Å; D245-S247 PolarHBondContact OD1-OG 2.83Å; D245-S247 PolarHBondContact OD2-OG 3.18Å; D245-S249 WeakPolarHBondContact OD2-CB 3.35Å; D245-S249 PolarHBondContact OD2-OG 2.71Å; D245-S249 VanDerWaalsContact OD2-OG 3.06Å; D245-K283 VanDerWaalsContact OD1-CD 3.24Å; D245-K283 WeakPolarHBondContact OD1-CD 3.47Å; D245-K283 IonicContact OD1-NZ 3.2Å; D245-K283 VanDerWaalsContact OD2-CE 3.26Å; D245-K283 WeakPolarHBondContact OD2-CE 3.46Å; D245-K283 IonicContact OD2-NZ 3.42Å; D245-K283 PolarHBondContact OD2-NZ 3.36Å
246M93.3Very high84.4Confident0 Ų032.9 Ų32.90%018%0.18CC..THydrogen-bonded Turntrans-74.9-16.1-179.7-69-61.2141.500113.9I244 G248 P254 A281 N282 M284 S289 N292 L293 F296I244-M246 HydrophobicContact CB-CE 3.85Å; I244-M246 HydrophobicContact CG2-CE 3.56Å; M246-G248 PolarHBondContact O-N 2.79Å; M246-P254 HydrophobicContact CE-CB 4.12Å; M246-P254 HydrophobicContact SD-CB 4.01Å; M246-P254 HydrophobicContact SD-CG 4.35Å; M246-A281 HydrophobicContact CE-CB 3.68Å; M246-A281 HydrophobicContact CG-CB 3.59Å; M246-A281 HydrophobicContact SD-CB 4.2Å; M246-N282 PolarHBondContact N-O 3.49Å; M246-M284 HydrophobicContact CB-SD 3.93Å; M246-M284 HydrophobicContact CG-SD 3.94Å; M246-S289 WeakPolarHBondContact O-CA 3.2Å; M246-N292 VanDerWaalsContact O-CB 3.27Å; M246-N292 WeakPolarHBondContact O-CB 3.25Å; M246-N292 PolarHBondContact O-ND2 2.93Å; M246-L293 HydrophobicContact SD-CB 4.41Å; M246-L293 HydrophobicContact SD-CD1 4.35Å; M246-F296 HydrophobicContact CE-CB 4.37Å; M246-F296 HydrophobicContact CE-CD1 3.99Å; M246-F296 HydrophobicContact CE-CD2 3.95Å; M246-F296 HydrophobicContact CE-CE1 4.28Å; M246-F296 HydrophobicContact CE-CE2 4.22Å; M246-F296 HydrophobicContact CE-CG 3.83Å; M246-F296 HydrophobicContact CE-CZ 4.39Å; M246-F296 HydrophobicContact SD-CB 4.25Å; M246-F296 HydrophobicContact SD-CG 4.34Å
247S89.9Confident85.8Confident16 Ų1629.6 Ų29.611%0.11217%0.168CC..THydrogen-bonded Turntrans-74.5-8.5178.869.60000113.5D245 S249 L286 S289D245-S247 VanDerWaalsContact C-N 3.28Å; D245-S247 VanDerWaalsContact CG-OG 3.28Å; D245-S247 PolarHBondContact O-N 2.84Å; D245-S247 WeakPolarHBondContact OD1-CB 3Å; D245-S247 PolarHBondContact OD1-N 3.34Å; D245-S247 PolarHBondContact OD1-OG 2.83Å; D245-S247 PolarHBondContact OD2-OG 3.18Å; S247-S249 PolarHBondContact O-N 2.97Å; S247-S249 PolarHBondContact OG-N 2.73Å; S247-S249 PolarHBondContact OG-OG 3Å; S247-L286 VanDerWaalsContact CB-CD1 3.48Å; S247-S289 WeakPolarHBondContact CA-OG 3.18Å; S247-S289 PolarHBondContact N-OG 3.36Å
248G82.4Confident86.6Confident19 Ų1930.5 Ų30.520%0.19617%0.172CC..  trans61.528.8-173.300000113.2M246 E250 G251 R252M246-G248 PolarHBondContact O-N 2.79Å; G248-E250 PolarHBondContact O-N 3.22Å; G248-G251 PolarHBondContact O-N 3.01Å; G248-R252 WeakPolarHBondContact CA-O 3.41Å; G248-R252 PolarHBondContact O-N 3.23Å
249S78.1Confident87.2Confident36 Ų3633.9 Ų33.925%0.25219%0.187SC..THydrogen-bonded Turntrans-53.6139.4179.8-62.80000110.2D245 S247 G251 R252 K283D245-S249 WeakPolarHBondContact OD2-CB 3.35Å; D245-S249 PolarHBondContact OD2-OG 2.71Å; D245-S249 VanDerWaalsContact OD2-OG 3.06Å; S247-S249 PolarHBondContact O-N 2.97Å; S247-S249 PolarHBondContact OG-N 2.73Å; S247-S249 PolarHBondContact OG-OG 3Å; S249-G251 VanDerWaalsContact C-N 3.28Å; S249-R252 PolarHBondContact O-NE 3.08Å; S249-K283 PolarHBondContact OG-NZ 2.82Å
250E77.4Confident87.1Confident144 Ų14436.8 Ų36.867%0.67320%0.204SC*.THydrogen-bonded Turntrans72.712.1-175.4-51.1173.4179.500114.7G248 R252G248-E250 PolarHBondContact O-N 3.22Å; E250-R252 IonicContact OE2-CZ 2.87Å; E250-R252 IonicContact OE2-NH1 3.74Å; E250-R252 IonicContact OE2-NH2 3.73Å
251G78.2Confident86.9Confident75 Ų7536.9 Ų36.977%0.77321%0.205SC*.THydrogen-bonded Turntrans76.528.8177.200000113.1G248 S249G248-G251 PolarHBondContact O-N 3.01Å; S249-G251 VanDerWaalsContact C-N 3.28Å
252R81.4Confident86.4Confident43 Ų4338.6 Ų38.616%0.16221%0.214CC..  trans-96.7145.1178.2-66.7-176.1-66.1-159.81.5111P167 G248 S249 E250 D257P167-R252 PolarHBondContact O-NH2 2.83Å; G248-R252 WeakPolarHBondContact CA-O 3.41Å; G248-R252 PolarHBondContact O-N 3.23Å; S249-R252 PolarHBondContact O-NE 3.08Å; E250-R252 IonicContact OE2-CZ 2.87Å; E250-R252 IonicContact OE2-NH1 3.74Å; E250-R252 IonicContact OE2-NH2 3.73Å; R252-D257 IonicContact NE-OD2 2.67Å
253E87.3Confident85.9Confident103 Ų10345 Ų4548%0.48124%0.244SC..  trans-89.1121.6173.7-69.7-62.8151.700109.9I255 E256 D257E253-I255 PolarHBondContact O-N 3.17Å; E253-E256 HydrophobicContact CB-CB 4.08Å; E253-E256 HydrophobicContact CB-CG 3.81Å; E253-E256 PolarHBondContact O-N 2.77Å; E253-D257 PolarHBondContact O-N 2.98Å; E253-D257 VanDerWaalsContact O-N 3.08Å
254P90Very high85Confident6 Ų646.8 Ų46.84%0.03925%0.252CS..Hα-helixtrans-53.7-34-176.2-28.735.1000114I244 M246 Y258 N292 F296I244-P254 HydrophobicContact CG2-CB 3.75Å; I244-P254 WeakPolarHBondContact CG2-O 3.43Å; M246-P254 HydrophobicContact CE-CB 4.12Å; M246-P254 HydrophobicContact SD-CB 4.01Å; M246-P254 HydrophobicContact SD-CG 4.35Å; P254-Y258 PolarHBondContact O-N 3.34Å; P254-N292 HydrophobicContact CG-CB 4.31Å; P254-F296 HydrophobicContact CB-CD2 4.01Å; P254-F296 WeakPolarHBondContact O-CE2 3.1Å
255I90.1Very high84.2Confident18 Ų1846.9 Ų46.99%0.09225%0.253CS..Hα-helixtrans-78.5-31.8-178.6-165.754.1000113.2E253 Y258 K259 F296 E299E253-I255 PolarHBondContact O-N 3.17Å; I255-Y258 HydrophobicContact CD1-CD1 4.4Å; I255-K259 HydrophobicContact CG1-CD 4.44Å; I255-K259 VanDerWaalsContact O-CG 3.29Å; I255-K259 WeakPolarHBondContact O-CG 3.23Å; I255-K259 PolarHBondContact O-N 3.38Å; I255-K259 VanDerWaalsContact O-N 3.1Å; I255-F296 HydrophobicContact CB-CD2 4.04Å; I255-F296 HydrophobicContact CB-CE2 4.39Å; I255-F296 HydrophobicContact CD1-CD2 3.88Å; I255-F296 HydrophobicContact CD1-CE2 3.74Å; I255-F296 HydrophobicContact CD1-CZ 4.42Å; I255-F296 HydrophobicContact CG1-CD2 4.49Å; I255-E299 HydrophobicContact CD1-CB 3.95Å; I255-E299 HydrophobicContact CG1-CB 3.87Å; I255-E299 HydrophobicContact CG1-CG 4.4Å; I255-E299 WeakPolarHBondContact CG1-OE2 3.44Å
256E87.8Confident83.3Confident121 Ų12148.9 Ų48.957%0.56527%0.269SS*.Hα-helixtrans-67.8-42.5172.3-66.4-171.5161.300110E253 Y258 K259 V260E253-E256 HydrophobicContact CB-CB 4.08Å; E253-E256 HydrophobicContact CB-CG 3.81Å; E253-E256 PolarHBondContact O-N 2.77Å; E256-Y258 VanDerWaalsContact C-N 3.32Å; E256-Y258 PolarHBondContact O-N 2.96Å; E256-K259 PolarHBondContact O-N 2.46Å; E256-V260 WeakPolarHBondContact O-CG2 3.35Å; E256-V260 PolarHBondContact O-N 3.12Å
257D87.5Confident82Confident11 Ų1152.6 Ų52.66%0.05930%0.301CS..Hα-helixtrans-55.9-47.7175.7-81.13000111.2F166 I244 R252 E253 V260 I261F166-D257 HydrophobicContact CD2-CB 3.74Å; F166-D257 VanDerWaalsContact CD2-CG 3.47Å; F166-D257 HydrophobicContact CE2-CB 3.68Å; I244-D257 HydrophobicContact CD1-CB 4.36Å; R252-D257 IonicContact NE-OD2 2.67Å; E253-D257 PolarHBondContact O-N 2.98Å; E253-D257 VanDerWaalsContact O-N 3.08Å; D257-V260 PolarHBondContact O-N 3.1Å; D257-I261 WeakPolarHBondContact O-CD1 3.22Å; D257-I261 VanDerWaalsContact O-CG1 3.23Å; D257-I261 WeakPolarHBondContact O-CG1 3.41Å; D257-I261 PolarHBondContact O-N 2.88Å
258Y88.9Confident80.5Confident19 Ų1954.7 Ų54.78%0.07531%0.306CS..Hα-helixtrans-61.2-44.9177.4179-106.5000112.5H242 I244 P254 I255 E256 I261 N262 Q277 V279 F296 I300H242-Y258 HydrophobicContact CB-CD2 4.4Å; H242-Y258 HydrophobicContact CB-CE2 4.4Å; H242-Y258 AromaticContact CG-CE2 3.97Å; H242-Y258 AromaticContact ND1-CD2 3.89Å; H242-Y258 AromaticContact ND1-CE2 3.75Å; I244-Y258 HydrophobicContact CD1-CD2 4.46Å; P254-Y258 PolarHBondContact O-N 3.34Å; I255-Y258 HydrophobicContact CD1-CD1 4.4Å; E256-Y258 VanDerWaalsContact C-N 3.32Å; E256-Y258 PolarHBondContact O-N 2.96Å; Y258-I261 PolarHBondContact O-N 3.3Å; Y258-N262 WeakPolarHBondContact CE1-ND2 3.48Å; Y258-N262 PolarHBondContact O-N 3.01Å; Y258-N262 VanDerWaalsContact O-N 3.08Å; Y258-N262 PolarHBondContact OH-ND2 2.72Å; Y258-Q277 PolarHBondContact OH-OE1 2.83Å; Y258-V279 HydrophobicContact CD2-CG2 4.02Å; Y258-V279 HydrophobicContact CE2-CG2 3.58Å; Y258-F296 HydrophobicContact CD1-CZ 4.43Å; Y258-F296 HydrophobicContact CD2-CZ 4.37Å; Y258-F296 HydrophobicContact CG-CE2 4.3Å; Y258-F296 AromaticContact CG-CZ 4Å; Y258-F296 HydrophobicContact CG-CZ 4Å; Y258-I300 HydrophobicContact CD1-CD1 3.78Å; Y258-I300 HydrophobicContact CD1-CG1 4.27Å; Y258-I300 HydrophobicContact CD2-CD1 4.39Å; Y258-I300 HydrophobicContact CE1-CD1 3.29Å; Y258-I300 HydrophobicContact CE1-CG1 3.7Å; Y258-I300 HydrophobicContact CE2-CD1 3.99Å; Y258-I300 HydrophobicContact CG-CD1 4.3Å; Y258-I300 VanDerWaalsContact CZ-CD1 3.42Å
259K87.6Confident78.9Confident96 Ų9662.6 Ų62.642%0.41734%0.338SS..Hα-helixtrans-62.5-43.1178.4-73.9166.6-176.4160.10111.6I255 E256 N262 Q263 E299I255-K259 HydrophobicContact CG1-CD 4.44Å; I255-K259 VanDerWaalsContact O-CG 3.29Å; I255-K259 WeakPolarHBondContact O-CG 3.23Å; I255-K259 PolarHBondContact O-N 3.38Å; I255-K259 VanDerWaalsContact O-N 3.1Å; E256-K259 PolarHBondContact O-N 2.46Å; K259-N262 PolarHBondContact O-N 3.31Å; K259-Q263 VanDerWaalsContact O-CG 3.28Å; K259-Q263 WeakPolarHBondContact O-CG 3.43Å; K259-Q263 PolarHBondContact O-N 2.67Å; K259-E299 IonicContact NZ-OE2 2.83Å; K259-E299 PolarHBondContact NZ-OE2 2.89Å
260V83.9Confident77.7Confident62 Ų6263.9 Ų63.938%0.37634%0.34SS..Hα-helixtrans-64.1-46.6178.71720000111.1F166 E256 D257 N262 Q263 E264F166-V260 HydrophobicContact CZ-CB 4.24Å; F166-V260 HydrophobicContact CZ-CG1 3.91Å; E256-V260 WeakPolarHBondContact O-CG2 3.35Å; E256-V260 PolarHBondContact O-N 3.12Å; D257-V260 PolarHBondContact O-N 3.1Å; V260-N262 VanDerWaalsContact C-N 3.32Å; V260-N262 PolarHBondContact O-N 2.93Å; V260-Q263 PolarHBondContact O-N 3.45Å; V260-E264 PolarHBondContact O-N 3Å
261I83Confident76.8Confident3 Ų365.6 Ų65.62%0.01534%0.341CS..Hα-helixtrans-59.8-43.9178.3-66.5160000110.8V164 F166 I244 D257 Y258 E264 L265V164-I261 HydrophobicContact CB-CG2 4.13Å; V164-I261 HydrophobicContact CG2-CG2 3.8Å; F166-I261 HydrophobicContact CD2-CD1 3.97Å; F166-I261 HydrophobicContact CD2-CG1 4.25Å; F166-I261 HydrophobicContact CE2-CD1 4.06Å; F166-I261 HydrophobicContact CE2-CG1 3.91Å; I244-I261 HydrophobicContact CD1-CD1 3.78Å; D257-I261 WeakPolarHBondContact O-CD1 3.22Å; D257-I261 VanDerWaalsContact O-CG1 3.23Å; D257-I261 WeakPolarHBondContact O-CG1 3.41Å; D257-I261 PolarHBondContact O-N 2.88Å; Y258-I261 PolarHBondContact O-N 3.3Å; I261-E264 PolarHBondContact O-N 2.89Å; I261-L265 HydrophobicContact CG2-CD1 4.16Å; I261-L265 HydrophobicContact CG2-CG 4.47Å; I261-L265 WeakPolarHBondContact O-CG 3.14Å; I261-L265 PolarHBondContact O-N 2.87Å
262N82.3Confident76Confident36 Ų3662.5 Ų62.519%0.19331%0.306CS..Hα-helixtrans-67.6-38.5178.7-88.6-16.4000113.4H242 Y258 K259 V260 E264 L265 A266 Q277H242-N262 PolarHBondContact CE1-OD1 2.92Å; Y258-N262 WeakPolarHBondContact CE1-ND2 3.48Å; Y258-N262 PolarHBondContact O-N 3.01Å; Y258-N262 VanDerWaalsContact O-N 3.08Å; Y258-N262 PolarHBondContact OH-ND2 2.72Å; K259-N262 PolarHBondContact O-N 3.31Å; V260-N262 VanDerWaalsContact C-N 3.32Å; V260-N262 PolarHBondContact O-N 2.93Å; N262-E264 VanDerWaalsContact C-N 3.26Å; N262-E264 PolarHBondContact O-N 2.78Å; N262-L265 PolarHBondContact O-N 2.75Å; N262-A266 VanDerWaalsContact O-CB 3.3Å; N262-A266 WeakPolarHBondContact O-CB 3.42Å; N262-A266 PolarHBondContact O-N 2.95Å; N262-Q277 PolarHBondContact OD1-NE2 2.89Å; N262-Q277 PolarHBondContact OD1-OE1 3.07Å
263Q79.5Confident75Confident134 Ų13465.8 Ų65.863%0.62632%0.323SS*.Hα-helixtrans-60.4-40.3173.9-75.7171.69.700111.2K259 V260 A266 A267K259-Q263 VanDerWaalsContact O-CG 3.28Å; K259-Q263 WeakPolarHBondContact O-CG 3.43Å; K259-Q263 PolarHBondContact O-N 2.67Å; V260-Q263 PolarHBondContact O-N 3.45Å; Q263-A266 PolarHBondContact O-N 2.81Å; Q263-A267 WeakPolarHBondContact O-CB 3.35Å; Q263-A267 PolarHBondContact O-N 2.71Å
264E72.8Confident74.2Confident37 Ų3764.7 Ų64.717%0.17332%0.321CS..Hα-helixtrans-67.4-45.7176-175.5155.2175.200111.4L216 I217 V260 I261 N262 A266 A267 Y268L216-E264 WeakPolarHBondContact CA-OE1 3.35Å; L216-E264 HydrophobicContact CD2-CG 4.48Å; I217-E264 PolarHBondContact N-OE1 2.83Å; V260-E264 PolarHBondContact O-N 3Å; I261-E264 PolarHBondContact O-N 2.89Å; N262-E264 VanDerWaalsContact C-N 3.26Å; N262-E264 PolarHBondContact O-N 2.78Å; E264-A266 VanDerWaalsContact C-N 3.31Å; E264-A266 PolarHBondContact O-N 3.38Å; E264-A267 WeakPolarHBondContact O-CB 3.34Å; E264-A267 PolarHBondContact O-N 3.36Å; E264-Y268 HydrophobicContact CG-CE2 3.83Å; E264-Y268 WeakPolarHBondContact O-CD2 3.47Å; E264-Y268 VanDerWaalsContact O-CE2 3.29Å; E264-Y268 WeakPolarHBondContact O-CE2 3.16Å
265L74.9Confident73.5Confident3 Ų365.6 Ų65.62%0.01632%0.324CS..Hα-helixtrans-58.2-40174.2-71.8174.1000113.1L216 I240 H242 I261 N262 Y268 L272L216-L265 HydrophobicContact CD1-CD2 3.81Å; L216-L265 HydrophobicContact CD2-CD2 4.37Å; I240-L265 HydrophobicContact CG2-CD1 4.25Å; H242-L265 VanDerWaalsContact CE1-CD1 3.49Å; H242-L265 WeakPolarHBondContact CE1-CD1 3.11Å; I261-L265 HydrophobicContact CG2-CD1 4.16Å; I261-L265 HydrophobicContact CG2-CG 4.47Å; I261-L265 WeakPolarHBondContact O-CG 3.14Å; I261-L265 PolarHBondContact O-N 2.87Å; N262-L265 PolarHBondContact O-N 2.75Å; L265-Y268 PolarHBondContact O-N 3.14Å; L265-L272 HydrophobicContact CD2-CD1 4.37Å
266A72.5Confident73.3Confident44 Ų4465.9 Ų65.936%0.36433%0.326SS..Hα-helixtrans-71.4-30.4178.300000112.9N262 Q263 E264 Y268 E273N262-A266 VanDerWaalsContact O-CB 3.3Å; N262-A266 WeakPolarHBondContact O-CB 3.42Å; N262-A266 PolarHBondContact O-N 2.95Å; Q263-A266 PolarHBondContact O-N 2.81Å; E264-A266 VanDerWaalsContact C-N 3.31Å; E264-A266 PolarHBondContact O-N 3.38Å; A266-Y268 PolarHBondContact O-N 2.99Å; A266-E273 VanDerWaalsContact CB-OE2 3.31Å; A266-E273 WeakPolarHBondContact CB-OE2 3.42Å
267A66.3Low73.3Confident79 Ų7961.4 Ų61.465%0.65331%0.305SS*.Hα-helixtrans-65.3-1517500000113Q263 E264Q263-A267 WeakPolarHBondContact O-CB 3.35Å; Q263-A267 PolarHBondContact O-N 2.71Å; E264-A267 WeakPolarHBondContact O-CB 3.34Å; E264-A267 PolarHBondContact O-N 3.36Å
268Y57.9Low73.5Confident60 Ų6060.9 Ų60.924%0.23530%0.303CS..SBendtrans-87.5116.2173.2-67-78.7000110.8L216 L231 E264 L265 A266 Q270L216-Y268 HydrophobicContact CD2-CD2 4.07Å; L216-Y268 HydrophobicContact CD2-CE2 3.35Å; L231-Y268 HydrophobicContact CD1-CD1 3.87Å; L231-Y268 HydrophobicContact CD1-CE1 3.94Å; E264-Y268 HydrophobicContact CG-CE2 3.83Å; E264-Y268 WeakPolarHBondContact O-CD2 3.47Å; E264-Y268 VanDerWaalsContact O-CE2 3.29Å; E264-Y268 WeakPolarHBondContact O-CE2 3.16Å; L265-Y268 PolarHBondContact O-N 3.14Å; A266-Y268 PolarHBondContact O-N 2.99Å; Y268-Q270 PolarHBondContact O-N 2.89Å
269E49.4Very low73.8Confident184 Ų18460 Ų6086%0.8630%0.299SS*.THydrogen-bonded Turntrans-63.321.4-175.1-64.7-178.6157.100116.3
270Q54Low74.1Confident63 Ų6355.4 Ų55.429%0.29428%0.279SS..THydrogen-bonded Turntrans-126.236.7-172.4-68.9-150.321.900115.5E235 Y268 L272E235-Q270 VanDerWaalsContact CD-CD 3.42Å; E235-Q270 PolarHBondContact OE1-NE2 3.01Å; E235-Q270 PolarHBondContact OE1-OE1 3.35Å; E235-Q270 PolarHBondContact OE2-OE1 2.93Å; Y268-Q270 PolarHBondContact O-N 2.89Å; Q270-L272 PolarHBondContact O-N 2.87Å; Q270-L272 VanDerWaalsContact O-N 3.08Å
271R56.9Low74.7Confident181 Ų18152.4 Ų52.468%0.68326%0.261SS*.THydrogen-bonded Turntrans57.432.9166.2-50.3179.974.9168.95.6113.3E273 D274 R275R271-E273 VanDerWaalsContact C-N 3.25Å; R271-D274 HydrophobicContact CB-CB 4.28Å; R271-D274 IonicContact CZ-OD2 2.75Å; R271-D274 IonicContact NE-OD2 3.91Å; R271-D274 PolarHBondContact NE-OD2 2.94Å; R271-D274 IonicContact NH2-OD2 3.86Å; R271-D274 PolarHBondContact NH2-OD2 2.98Å; R271-D274 PolarHBondContact O-N 3.43Å; R271-R275 PolarHBondContact O-NE 2.85Å
272L61.1Low75.2Confident10 Ų1052.4 Ų52.45%0.05226%0.261CS..SBendtrans-67.8-32.5172.7-77.9164000110.8I240 L265 Q270 D274 R275I240-L272 HydrophobicContact CD1-CD2 4.34Å; L265-L272 HydrophobicContact CD2-CD1 4.37Å; Q270-L272 PolarHBondContact O-N 2.87Å; Q270-L272 VanDerWaalsContact O-N 3.08Å; L272-D274 VanDerWaalsContact C-N 3.33Å; L272-D274 PolarHBondContact O-N 2.91Å; L272-R275 WeakPolarHBondContact O-CB 3.38Å; L272-R275 WeakPolarHBondContact O-CG 3.26Å; L272-R275 PolarHBondContact O-N 3.29Å
273E61.5Low75.8Confident112 Ų11252 Ų5252%0.52326%0.258SS..THydrogen-bonded Turntrans-65-31.1175.761.3-177.7-176.200113.7A266 R271 R275A266-E273 VanDerWaalsContact CB-OE2 3.31Å; A266-E273 WeakPolarHBondContact CB-OE2 3.42Å; R271-E273 VanDerWaalsContact C-N 3.25Å; E273-R275 PolarHBondContact O-N 3.16Å
274D69.4Low76.5Confident80 Ų8047.3 Ų47.343%0.42824%0.236SC..THydrogen-bonded Turntrans-69.4-10.2178.5-74.2-19.5000112.9R271 L272 Y331R271-D274 HydrophobicContact CB-CB 4.28Å; R271-D274 IonicContact CZ-OD2 2.75Å; R271-D274 IonicContact NE-OD2 3.91Å; R271-D274 PolarHBondContact NE-OD2 2.94Å; R271-D274 IonicContact NH2-OD2 3.86Å; R271-D274 PolarHBondContact NH2-OD2 2.98Å; R271-D274 PolarHBondContact O-N 3.43Å; L272-D274 VanDerWaalsContact C-N 3.33Å; L272-D274 PolarHBondContact O-N 2.91Å; D274-Y331 PolarHBondContact O-OH 2.97Å; D274-Y331 VanDerWaalsContact O-OH 3.04Å
275R75.7Confident77.4Confident25 Ų2548.7 Ų48.79%0.09425%0.245CC..SBendtrans-84.8146.9-172.6-57.5-179.6-168.7-157.6-0.2110.9E235 T237 I240 R271 L272 E273 Q277E235-R275 PolarHBondContact O-NH1 2.82Å; E235-R275 PolarHBondContact O-NH2 3.3Å; T237-R275 VanDerWaalsContact O-CD 3.28Å; T237-R275 WeakPolarHBondContact O-CD 3.43Å; T237-R275 PolarHBondContact O-NH1 2.73Å; I240-R275 HydrophobicContact CG1-CB 4.44Å; R271-R275 PolarHBondContact O-NE 2.85Å; L272-R275 WeakPolarHBondContact O-CB 3.38Å; L272-R275 WeakPolarHBondContact O-CG 3.26Å; L272-R275 PolarHBondContact O-N 3.29Å; E273-R275 PolarHBondContact O-N 3.16Å; R275-Q277 WeakPolarHBondContact O-CG 3.13Å; R275-Q277 PolarHBondContact O-N 3.29Å; R275-Q277 VanDerWaalsContact O-N 3.12Å
276P85.6Confident78.2Confident23 Ų2351.8 Ų51.815%0.14926%0.261CS..PPolyproline II helixtrans-53.9122.8172.5-23.830.7000110.8V239 I240 K327 Y331V239-P276 HydrophobicContact CG2-CB 4.39Å; I240-P276 PolarHBondContact N-O 2.79Å; P276-K327 HydrophobicContact CB-CD 4.21Å; P276-Y331 VanDerWaalsContact CD-CE1 3.44Å; P276-Y331 VanDerWaalsContact CD-CZ 3.41Å; P276-Y331 HydrophobicContact CG-CD1 3.95Å; P276-Y331 HydrophobicContact CG-CD2 3.35Å; P276-Y331 HydrophobicContact CG-CE1 4.19Å; P276-Y331 HydrophobicContact CG-CE2 3.67Å; P276-Y331 HydrophobicContact CG-CG 3.52Å
277Q88.6Confident78.8Confident27 Ų2754.8 Ų54.813%0.12628%0.276CS..EExtended strand (participates in β ladder)trans-102.1142.1174.6-59.6-174.29.600109.7I240 H242 Y258 N262 R275 V304I240-Q277 CarbonylContact O-C 3.51Å; I240-Q277 WeakPolarHBondContact O-CA 3.36Å; H242-Q277 VanDerWaalsContact NE2-CD 3.34Å; H242-Q277 PolarHBondContact NE2-OE1 2.91Å; Y258-Q277 PolarHBondContact OH-OE1 2.83Å; N262-Q277 PolarHBondContact OD1-NE2 2.89Å; N262-Q277 PolarHBondContact OD1-OE1 3.07Å; R275-Q277 WeakPolarHBondContact O-CG 3.13Å; R275-Q277 PolarHBondContact O-N 3.29Å; R275-Q277 VanDerWaalsContact O-N 3.12Å; Q277-V304 HydrophobicContact CB-CG1 4.07Å
278I92.5Very high79.8Confident0 Ų057.5 Ų57.50%028%0.276CS..EExtended strand (participates in β ladder)trans-123.8128.8166.3-62.1174.8000107.3V239 I240 V241 H242 I307 L320 A323 I324 K327V239-I278 HydrophobicContact CG1-CD1 4.22Å; V239-I278 HydrophobicContact CG1-CG1 4.39Å; I240-I278 PolarHBondContact O-N 2.85Å; V241-I278 CarbonylContact C-O 3.57Å; V241-I278 WeakPolarHBondContact CA-O 3.2Å; V241-I278 HydrophobicContact CG2-CB 4.46Å; H242-I278 PolarHBondContact N-O 2.94Å; I278-I307 HydrophobicContact CG2-CD1 3.88Å; I278-I307 HydrophobicContact CG2-CG1 4.27Å; I278-L320 HydrophobicContact CG2-CD1 4.24Å; I278-A323 HydrophobicContact CD1-CB 4.33Å; I278-I324 HydrophobicContact CD1-CB 4.36Å; I278-I324 HydrophobicContact CD1-CG1 3.81Å; I278-K327 HydrophobicContact CD1-CB 4.26Å; I278-K327 HydrophobicContact CD1-CG 3.94Å; I278-K327 HydrophobicContact CG1-CG 4.29Å
279V94.2Very high81.4Confident0 Ų054.7 Ų54.70%027%0.265CS..EExtended strand (participates in β ladder)trans-93.1125.2173.4178.60000109.6H242 I244 Y258 F296 I300 V304 P305 V306 I307H242-V279 HydrophobicContact CB-CG2 4.16Å; I244-V279 HydrophobicContact CG1-CG1 4.07Å; Y258-V279 HydrophobicContact CD2-CG2 4.02Å; Y258-V279 HydrophobicContact CE2-CG2 3.58Å; V279-F296 HydrophobicContact CG1-CE1 3.79Å; V279-F296 HydrophobicContact CG1-CZ 3.93Å; V279-I300 HydrophobicContact CG2-CD1 3.94Å; V279-V304 HydrophobicContact CG2-CG1 3.76Å; V279-P305 PolarHBondContact N-O 2.84Å; V279-V306 HydrophobicContact CB-CG2 4.21Å; V279-V306 HydrophobicContact CG1-CG1 4.32Å; V279-V306 CarbonylContact O-C 3.52Å; V279-V306 WeakPolarHBondContact O-CA 3.43Å; V279-I307 PolarHBondContact O-N 2.82Å
280V95Very high83.4Confident0 Ų051 Ų510%025%0.247CC..EExtended strand (participates in β ladder)trans-101.9102.9173.1-179.60000107.9V241 H242 M243 I244 N282 I307 V309 L320V241-V280 HydrophobicContact CG1-CB 4.46Å; V241-V280 HydrophobicContact CG1-CG2 3.42Å; V241-V280 VanDerWaalsContact CG1-CG2 3.42Å; H242-V280 PolarHBondContact O-N 2.73Å; M243-V280 HydrophobicContact CG-CB 4.47Å; M243-V280 HydrophobicContact CG-CG1 4.38Å; I244-V280 PolarHBondContact N-O 3.37Å; V280-N282 PolarHBondContact O-N 3.07Å; V280-I307 WeakPolarHBondContact CA-O 3.49Å; V280-V309 HydrophobicContact CG1-CB 4.43Å; V280-V309 HydrophobicContact CG1-CG1 4.3Å; V280-V309 HydrophobicContact CG1-CG2 3.27Å; V280-L320 HydrophobicContact CG1-CD2 4.03Å; V280-L320 HydrophobicContact CG2-CD1 3.43Å; V280-L320 VanDerWaalsContact CG2-CD1 3.43Å; V280-L320 HydrophobicContact CG2-CD2 3.75Å; V280-L320 HydrophobicContact CG2-CG 4.24Å
281A94.9Very high85.2Confident0 Ų053.1 Ų53.10%026%0.261CS..EExtended strand (participates in β ladder)trans-7992.6173.200000108.8M246 M284 L293 V306 I307 P308 V309M246-A281 HydrophobicContact CE-CB 3.68Å; M246-A281 HydrophobicContact CG-CB 3.59Å; M246-A281 HydrophobicContact SD-CB 4.2Å; A281-M284 WeakPolarHBondContact O-CG 3.33Å; A281-L293 HydrophobicContact CB-CD1 3.69Å; A281-V306 HydrophobicContact CB-CG1 4.11Å; A281-I307 PolarHBondContact N-O 2.91Å; A281-P308 HydrophobicContact CB-CB 4.49Å; A281-P308 CarbonylContact O-C 3.57Å; A281-P308 WeakPolarHBondContact O-CA 3.5Å; A281-V309 PolarHBondContact O-N 3.43Å
282N95Very high86.9Confident2 Ų246 Ų461%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-90.3169.6-175.8-166.435.5000112.7V169 M243 I244 M246 V280 M284 V309 T311V169-N282 PolarHBondContact O-ND2 2.98Å; M243-N282 HydrophobicContact CE-CB 3.72Å; M243-N282 VanDerWaalsContact CE-CG 3.41Å; M243-N282 WeakPolarHBondContact CE-ND2 3.43Å; M243-N282 HydrophobicContact CG-CB 4.29Å; I244-N282 PolarHBondContact O-N 3.08Å; M246-N282 PolarHBondContact N-O 3.49Å; V280-N282 PolarHBondContact O-N 3.07Å; N282-M284 VanDerWaalsContact C-N 3.35Å; N282-V309 WeakPolarHBondContact CA-O 3.36Å; N282-V309 HydrophobicContact CB-CG2 4.23Å; N282-V309 PolarHBondContact OD1-O 2.86Å; N282-T311 PolarHBondContact ND2-OG1 2.62Å; N282-T311 PolarHBondContact OD1-N 2.76Å; N282-T311 PolarHBondContact OD1-OG1 2.79Å
283K94Very high88.4Confident29 Ų2945.7 Ų45.713%0.12624%0.235CC..  trans64.234.8-179.7-48.7-162.3-162.4163.80113.6S168 D245 S249 D285 L286 S289 V309S168-K283 VanDerWaalsContact O-CE 3.24Å; S168-K283 WeakPolarHBondContact O-CE 3.42Å; S168-K283 PolarHBondContact O-NZ 2.88Å; D245-K283 VanDerWaalsContact OD1-CD 3.24Å; D245-K283 WeakPolarHBondContact OD1-CD 3.47Å; D245-K283 IonicContact OD1-NZ 3.2Å; D245-K283 VanDerWaalsContact OD2-CE 3.26Å; D245-K283 WeakPolarHBondContact OD2-CE 3.46Å; D245-K283 IonicContact OD2-NZ 3.42Å; D245-K283 PolarHBondContact OD2-NZ 3.36Å; S249-K283 PolarHBondContact OG-NZ 2.82Å; K283-D285 WeakPolarHBondContact CA-OD1 3.35Å; K283-D285 PolarHBondContact O-N 2.86Å; K283-D285 VanDerWaalsContact O-N 3.12Å; K283-L286 HydrophobicContact CB-CD1 4.04Å; K283-L286 HydrophobicContact CB-CG 4.37Å; K283-L286 HydrophobicContact CD-CD1 3.98Å; K283-L286 PolarHBondContact O-N 3.42Å; K283-L286 VanDerWaalsContact O-N 3.1Å; K283-S289 PolarHBondContact O-OG 3.43Å; K283-V309 PolarHBondContact N-O 3.46Å
284M93.8Very high89.9Confident35 Ų3543.9 Ų43.917%0.17223%0.229CC..THydrogen-bonded Turntrans-66.6-7.8174.8-63.4-57.2-55.400113.8M246 A281 N282 L286 L293 P308 V309M246-M284 HydrophobicContact CB-SD 3.93Å; M246-M284 HydrophobicContact CG-SD 3.94Å; A281-M284 WeakPolarHBondContact O-CG 3.33Å; N282-M284 VanDerWaalsContact C-N 3.35Å; M284-L286 VanDerWaalsContact C-N 3.27Å; M284-L293 HydrophobicContact CE-CB 4.21Å; M284-L293 HydrophobicContact CE-CD2 3.62Å; M284-L293 HydrophobicContact SD-CB 4.45Å; M284-L293 HydrophobicContact SD-CD2 4.14Å; M284-P308 HydrophobicContact CE-CB 4.48Å; M284-P308 HydrophobicContact CG-CB 3.86Å; M284-P308 HydrophobicContact SD-CB 4.27Å; M284-V309 WeakPolarHBondContact CG-O 3.28Å; M284-V309 PolarHBondContact N-O 2.95Å
285D91.9Very high90.9Very high65 Ų6544.8 Ų44.835%0.34823%0.233SC..THydrogen-bonded Turntrans-75.5-12.1170.955.5-70.4000113.9K283 S310 T313K283-D285 WeakPolarHBondContact CA-OD1 3.35Å; K283-D285 PolarHBondContact O-N 2.86Å; K283-D285 VanDerWaalsContact O-N 3.12Å; D285-S310 VanDerWaalsContact CG-OG 3.29Å; D285-S310 VanDerWaalsContact OD1-CB 3.31Å; D285-S310 WeakPolarHBondContact OD1-CB 3.27Å; D285-S310 PolarHBondContact OD1-OG 3.4Å; D285-T313 HydrophobicContact CB-CG2 3.98Å
286L91.7Very high91.7Very high68 Ų6843.8 Ų43.836%0.35623%0.23SC..SBendtrans-93.2154.3-178.5-63.4-178.6000112.9S247 K283 M284 S289S247-L286 VanDerWaalsContact CB-CD1 3.48Å; K283-L286 HydrophobicContact CB-CD1 4.04Å; K283-L286 HydrophobicContact CB-CG 4.37Å; K283-L286 HydrophobicContact CD-CD1 3.98Å; K283-L286 PolarHBondContact O-N 3.42Å; K283-L286 VanDerWaalsContact O-N 3.1Å; M284-L286 VanDerWaalsContact C-N 3.27Å; L286-S289 WeakPolarHBondContact O-CB 3.46Å; L286-S289 PolarHBondContact O-OG 3.33Å
287P86.6Confident91.9Very high107 Ų10747.1 Ų47.170%0.69524%0.241SC*.THydrogen-bonded Turntrans-58.6156.5170.1-19.332.2000111.4S289P287-S289 PolarHBondContact O-N 3Å
288E86.5Confident92Very high137 Ų13753.3 Ų53.364%0.6427%0.27SS*.THydrogen-bonded Turntrans69.1-22.2179.9-51.9178.1-178.300115.4Q290 D291 N292E288-Q290 PolarHBondContact O-N 3.41Å; E288-Q290 VanDerWaalsContact O-N 3.12Å; E288-D291 PolarHBondContact O-N 2.95Å; E288-N292 PolarHBondContact O-N 2.96Å
289S90.9Very high91.8Very high0 Ų058.8 Ų58.80%030%0.296CS..Hα-helixtrans-54.7-35.7179.6-62.20000113.9M246 S247 K283 L286 P287 L293M246-S289 WeakPolarHBondContact O-CA 3.2Å; S247-S289 WeakPolarHBondContact CA-OG 3.18Å; S247-S289 PolarHBondContact N-OG 3.36Å; K283-S289 PolarHBondContact O-OG 3.43Å; L286-S289 WeakPolarHBondContact O-CB 3.46Å; L286-S289 PolarHBondContact O-OG 3.33Å; P287-S289 PolarHBondContact O-N 3Å; S289-L293 VanDerWaalsContact O-CB 3.24Å; S289-L293 WeakPolarHBondContact O-CB 3.36Å; S289-L293 PolarHBondContact O-N 2.65Å
290Q92.1Very high91.4Very high106 Ų10660.1 Ų60.150%0.49530%0.303SS..Hα-helixtrans-71.6-36.8179.8-172.557.961.500112.9E288 N294E288-Q290 PolarHBondContact O-N 3.41Å; E288-Q290 VanDerWaalsContact O-N 3.12Å; Q290-N294 PolarHBondContact NE2-OD1 2.85Å; Q290-N294 PolarHBondContact O-N 2.8Å; Q290-N294 PolarHBondContact O-ND2 3.19Å; Q290-N294 PolarHBondContact O-OD1 2.74Å
291D92Very high90.8Very high108 Ų10861.9 Ų61.958%0.57832%0.321SS*.Hα-helixtrans-72.5-43.6178.2-66.5-31.8000110E288 L293 N294 L295E288-D291 PolarHBondContact O-N 2.95Å; D291-L293 VanDerWaalsContact C-N 3.32Å; D291-L293 PolarHBondContact O-N 3.34Å; D291-N294 WeakPolarHBondContact O-CB 3.47Å; D291-N294 PolarHBondContact O-N 2.89Å; D291-N294 VanDerWaalsContact O-N 3.16Å; D291-L295 PolarHBondContact O-N 3.31Å; D291-L295 VanDerWaalsContact O-N 3.14Å
292N92.8Very high90.1Very high32 Ų3271.3 Ų71.317%0.17137%0.365CS..Hα-helixtrans-61.4-38.8174.2-72.1-14.8000112.4M246 P254 E288 N294 L295 F296M246-N292 VanDerWaalsContact O-CB 3.27Å; M246-N292 WeakPolarHBondContact O-CB 3.25Å; M246-N292 PolarHBondContact O-ND2 2.93Å; P254-N292 HydrophobicContact CG-CB 4.31Å; E288-N292 PolarHBondContact O-N 2.96Å; N292-N294 VanDerWaalsContact C-N 3.31Å; N292-N294 PolarHBondContact O-N 3.18Å; N292-L295 PolarHBondContact O-N 3.25Å; N292-F296 WeakPolarHBondContact O-CB 3.37Å; N292-F296 PolarHBondContact O-N 3.1Å
293L92.1Very high89.4Confident4 Ų478.7 Ų78.72%0.02140%0.404CS..Hα-helixtrans-61.6-39.2175.2178.163.4000112.2M246 A281 M284 S289 D291 F296 K297 V306 P308M246-L293 HydrophobicContact SD-CB 4.41Å; M246-L293 HydrophobicContact SD-CD1 4.35Å; A281-L293 HydrophobicContact CB-CD1 3.69Å; M284-L293 HydrophobicContact CE-CB 4.21Å; M284-L293 HydrophobicContact CE-CD2 3.62Å; M284-L293 HydrophobicContact SD-CB 4.45Å; M284-L293 HydrophobicContact SD-CD2 4.14Å; S289-L293 VanDerWaalsContact O-CB 3.24Å; S289-L293 WeakPolarHBondContact O-CB 3.36Å; S289-L293 PolarHBondContact O-N 2.65Å; D291-L293 VanDerWaalsContact C-N 3.32Å; D291-L293 PolarHBondContact O-N 3.34Å; L293-F296 PolarHBondContact O-N 3.25Å; L293-K297 HydrophobicContact CD1-CD 4.46Å; L293-K297 HydrophobicContact CD1-CG 4.36Å; L293-K297 HydrophobicContact CG-CD 4.47Å; L293-K297 WeakPolarHBondContact O-CG 3.46Å; L293-K297 PolarHBondContact O-N 3.21Å; L293-V306 HydrophobicContact CD1-CG1 3.93Å; L293-P308 HydrophobicContact CD2-CB 3.83Å; L293-P308 HydrophobicContact CD2-CG 4.32Å
294N92Very high88.9Confident74 Ų7478.6 Ų78.640%0.39641%0.406SS..Hα-helixtrans-65.7-49179-64-25.1000110.3Q290 D291 N292 F296 K297 E298Q290-N294 PolarHBondContact NE2-OD1 2.85Å; Q290-N294 PolarHBondContact O-N 2.8Å; Q290-N294 PolarHBondContact O-ND2 3.19Å; Q290-N294 PolarHBondContact O-OD1 2.74Å; D291-N294 WeakPolarHBondContact O-CB 3.47Å; D291-N294 PolarHBondContact O-N 2.89Å; D291-N294 VanDerWaalsContact O-N 3.16Å; N292-N294 VanDerWaalsContact C-N 3.31Å; N292-N294 PolarHBondContact O-N 3.18Å; N294-F296 VanDerWaalsContact C-N 3.32Å; N294-F296 PolarHBondContact O-N 2.81Å; N294-K297 PolarHBondContact O-N 2.79Å; N294-E298 WeakPolarHBondContact O-CG 3.34Å; N294-E298 PolarHBondContact O-N 3.04Å; N294-E298 VanDerWaalsContact O-N 3.14Å
295L91.2Very high88.8Confident99 Ų9979.5 Ų79.552%0.51842%0.415SS..Hα-helixtrans-59.4-42.9175.6-66.4172.5000111.8D291 N292 K297 E298 E299D291-L295 PolarHBondContact O-N 3.31Å; D291-L295 VanDerWaalsContact O-N 3.14Å; N292-L295 PolarHBondContact O-N 3.25Å; L295-K297 PolarHBondContact O-N 2.87Å; L295-E298 PolarHBondContact O-N 2.83Å; L295-E299 PolarHBondContact O-N 2.93Å; L295-E299 VanDerWaalsContact O-N 3.09Å
296F91.7Very high88.8Confident4 Ų477.6 Ų77.62%0.01841%0.405CS..Hα-helixtrans-61.6-43.1179.2-175.9-88.2000112.3I244 M246 P254 I255 Y258 V279 N292 L293 N294 E298 E299 I300 V306I244-F296 HydrophobicContact CG2-CE2 4.41Å; M246-F296 HydrophobicContact CE-CB 4.37Å; M246-F296 HydrophobicContact CE-CD1 3.99Å; M246-F296 HydrophobicContact CE-CD2 3.95Å; M246-F296 HydrophobicContact CE-CE1 4.28Å; M246-F296 HydrophobicContact CE-CE2 4.22Å; M246-F296 HydrophobicContact CE-CG 3.83Å; M246-F296 HydrophobicContact CE-CZ 4.39Å; M246-F296 HydrophobicContact SD-CB 4.25Å; M246-F296 HydrophobicContact SD-CG 4.34Å; P254-F296 HydrophobicContact CB-CD2 4.01Å; P254-F296 WeakPolarHBondContact O-CE2 3.1Å; I255-F296 HydrophobicContact CB-CD2 4.04Å; I255-F296 HydrophobicContact CB-CE2 4.39Å; I255-F296 HydrophobicContact CD1-CD2 3.88Å; I255-F296 HydrophobicContact CD1-CE2 3.74Å; I255-F296 HydrophobicContact CD1-CZ 4.42Å; I255-F296 HydrophobicContact CG1-CD2 4.49Å; Y258-F296 HydrophobicContact CD1-CZ 4.43Å; Y258-F296 HydrophobicContact CD2-CZ 4.37Å; Y258-F296 HydrophobicContact CG-CE2 4.3Å; Y258-F296 AromaticContact CG-CZ 4Å; Y258-F296 HydrophobicContact CG-CZ 4Å; V279-F296 HydrophobicContact CG1-CE1 3.79Å; V279-F296 HydrophobicContact CG1-CZ 3.93Å; N292-F296 WeakPolarHBondContact O-CB 3.37Å; N292-F296 PolarHBondContact O-N 3.1Å; L293-F296 PolarHBondContact O-N 3.25Å; N294-F296 VanDerWaalsContact C-N 3.32Å; N294-F296 PolarHBondContact O-N 2.81Å; F296-E298 VanDerWaalsContact C-N 3.34Å; F296-E299 PolarHBondContact O-N 3.02Å; F296-I300 HydrophobicContact CD1-CG2 4.31Å; F296-I300 HydrophobicContact CE1-CB 4.35Å; F296-I300 HydrophobicContact CE1-CD1 3.8Å; F296-I300 HydrophobicContact CE1-CG2 4.12Å; F296-I300 HydrophobicContact CZ-CD1 3.85Å; F296-I300 WeakPolarHBondContact O-CG2 3.47Å; F296-I300 PolarHBondContact O-N 2.82Å; F296-V306 HydrophobicContact CD1-CG1 4.41Å; F296-V306 HydrophobicContact CE1-CG1 4.42Å; F296-V306 HydrophobicContact CE1-CG2 4.17Å
297K91.4Very high89Confident92 Ų9275 Ų7540%0.439%0.392SS..Hα-helixtrans-65.1-36.7176.9-76.8-179176.8-173.30112.5L293 N294 L295 E299 G301 V306L293-K297 HydrophobicContact CD1-CD 4.46Å; L293-K297 HydrophobicContact CD1-CG 4.36Å; L293-K297 HydrophobicContact CG-CD 4.47Å; L293-K297 WeakPolarHBondContact O-CG 3.46Å; L293-K297 PolarHBondContact O-N 3.21Å; N294-K297 PolarHBondContact O-N 2.79Å; L295-K297 PolarHBondContact O-N 2.87Å; K297-E299 VanDerWaalsContact C-N 3.34Å; K297-G301 PolarHBondContact O-N 2.59Å; K297-V306 HydrophobicContact CG-CB 4.48Å; K297-V306 HydrophobicContact CG-CG1 4.44Å
298E90.3Very high89.4Confident157 Ų15771.8 Ų71.873%0.73437%0.371SS*.Hα-helixtrans-65.4-37.3175.7-71.8178.6-177.800111.9N294 L295 F296N294-E298 WeakPolarHBondContact O-CG 3.34Å; N294-E298 PolarHBondContact O-N 3.04Å; N294-E298 VanDerWaalsContact O-N 3.14Å; L295-E298 PolarHBondContact O-N 2.83Å; F296-E298 VanDerWaalsContact C-N 3.34Å
299E88.8Confident89.8Confident115 Ų11565.3 Ų65.354%0.53734%0.34SS..Hα-helixtrans-79.4-37-179.3-77.1-156.8-152.300114.7I255 K259 L295 F296 K297I255-E299 HydrophobicContact CD1-CB 3.95Å; I255-E299 HydrophobicContact CG1-CB 3.87Å; I255-E299 HydrophobicContact CG1-CG 4.4Å; I255-E299 WeakPolarHBondContact CG1-OE2 3.44Å; K259-E299 IonicContact NZ-OE2 2.83Å; K259-E299 PolarHBondContact NZ-OE2 2.89Å; L295-E299 PolarHBondContact O-N 2.93Å; L295-E299 VanDerWaalsContact O-N 3.09Å; F296-E299 PolarHBondContact O-N 3.02Å; K297-E299 VanDerWaalsContact C-N 3.34Å
300I85.5Confident90Very high29 Ų2965.4 Ų65.415%0.14934%0.341CS..Hα-helixtrans-81.7-24.7-175.8-160.8172.2000113.3Y258 V279 F296 V304 V306Y258-I300 HydrophobicContact CD1-CD1 3.78Å; Y258-I300 HydrophobicContact CD1-CG1 4.27Å; Y258-I300 HydrophobicContact CD2-CD1 4.39Å; Y258-I300 HydrophobicContact CE1-CD1 3.29Å; Y258-I300 HydrophobicContact CE1-CG1 3.7Å; Y258-I300 HydrophobicContact CE2-CD1 3.99Å; Y258-I300 HydrophobicContact CG-CD1 4.3Å; Y258-I300 VanDerWaalsContact CZ-CD1 3.42Å; V279-I300 HydrophobicContact CG2-CD1 3.94Å; F296-I300 HydrophobicContact CD1-CG2 4.31Å; F296-I300 HydrophobicContact CE1-CB 4.35Å; F296-I300 HydrophobicContact CE1-CD1 3.8Å; F296-I300 HydrophobicContact CE1-CG2 4.12Å; F296-I300 HydrophobicContact CZ-CD1 3.85Å; F296-I300 WeakPolarHBondContact O-CG2 3.47Å; F296-I300 PolarHBondContact O-N 2.82Å; I300-V304 HydrophobicContact CD1-CB 4.31Å; I300-V306 HydrophobicContact CG2-CG2 4.1Å
301G82.8Confident89.8Confident36 Ų3660.5 Ų60.537%0.37132%0.319SS..  trans81.5-169.9-174.600000114K297K297-G301 PolarHBondContact O-N 2.59Å
302E79.6Confident89.6Confident198 Ų19861.3 Ų61.393%0.92532%0.321SS*.SBendtrans-96.1-3.1-174.5-65.3-173.6170.900114V304E302-V304 VanDerWaalsContact C-N 3.34Å; E302-V304 PolarHBondContact O-N 3.09Å
303D80.2Confident89.5Confident157 Ų15763.9 Ų63.984%0.8434%0.338SS*.SBendtrans-72.3-26.7-173.1-65.6-33.7000113
304V83.9Confident89.3Confident28 Ų2871.8 Ų71.817%0.1737%0.368CS..SBendtrans-113.8122.2-177.7-173.40000110.2Q277 V279 I300 E302 V306Q277-V304 HydrophobicContact CB-CG1 4.07Å; V279-V304 HydrophobicContact CG2-CG1 3.76Å; I300-V304 HydrophobicContact CD1-CB 4.31Å; E302-V304 VanDerWaalsContact C-N 3.34Å; E302-V304 PolarHBondContact O-N 3.09Å; V304-V306 PolarHBondContact O-N 3.21Å
305P90.5Very high89.3Confident53 Ų5372.9 Ų72.934%0.34437%0.374SS..  trans-59.8120.2176.7-23.833.1000112.3V279V279-P305 PolarHBondContact N-O 2.84Å
306V93.4Very high89.4Confident25 Ų2571 Ų7115%0.15236%0.364CS..EExtended strand (participates in β ladder)trans-105.4114.5174.9-174.50000110.2V279 A281 L293 F296 K297 I300 V304V279-V306 HydrophobicContact CB-CG2 4.21Å; V279-V306 HydrophobicContact CG1-CG1 4.32Å; V279-V306 CarbonylContact O-C 3.52Å; V279-V306 WeakPolarHBondContact O-CA 3.43Å; A281-V306 HydrophobicContact CB-CG1 4.11Å; L293-V306 HydrophobicContact CD1-CG1 3.93Å; F296-V306 HydrophobicContact CD1-CG1 4.41Å; F296-V306 HydrophobicContact CE1-CG1 4.42Å; F296-V306 HydrophobicContact CE1-CG2 4.17Å; K297-V306 HydrophobicContact CG-CB 4.48Å; K297-V306 HydrophobicContact CG-CG1 4.44Å; I300-V306 HydrophobicContact CG2-CG2 4.1Å; V304-V306 PolarHBondContact O-N 3.21Å
307I94.5Very high89.5Confident15 Ų1571.4 Ų71.48%0.07737%0.366CS..EExtended strand (participates in β ladder)trans-111.6110.1-177.9-54.1179.7000109.4I278 V279 V280 A281 V309 L320 A323I278-I307 HydrophobicContact CG2-CD1 3.88Å; I278-I307 HydrophobicContact CG2-CG1 4.27Å; V279-I307 PolarHBondContact O-N 2.82Å; V280-I307 WeakPolarHBondContact CA-O 3.49Å; A281-I307 PolarHBondContact N-O 2.91Å; I307-V309 HydrophobicContact CG2-CG1 3.99Å; I307-L320 HydrophobicContact CD1-CD1 4.03Å; I307-L320 HydrophobicContact CG2-CB 4.2Å; I307-A323 HydrophobicContact CD1-CB 3.27Å
308P95.6Very high89.6Confident39 Ų3971.4 Ų71.425%0.25337%0.371SS..EExtended strand (participates in β ladder)trans-72.8130.7174.529.2-32.1000110.6A281 M284 L293 N316A281-P308 HydrophobicContact CB-CB 4.49Å; A281-P308 CarbonylContact O-C 3.57Å; A281-P308 WeakPolarHBondContact O-CA 3.5Å; M284-P308 HydrophobicContact CE-CB 4.48Å; M284-P308 HydrophobicContact CG-CB 3.86Å; M284-P308 HydrophobicContact SD-CB 4.27Å; L293-P308 HydrophobicContact CD2-CB 3.83Å; L293-P308 HydrophobicContact CD2-CG 4.32Å; P308-N316 WeakPolarHBondContact O-CB 2.99Å; P308-N316 PolarHBondContact O-ND2 2.71Å
309V95.7Very high89.7Confident0 Ų068.9 Ų68.90%036%0.359CS..  trans-140.9164.3178.7-54.80000111.2V280 A281 N282 K283 M284 I307 N316 I317 L320V280-V309 HydrophobicContact CG1-CB 4.43Å; V280-V309 HydrophobicContact CG1-CG1 4.3Å; V280-V309 HydrophobicContact CG1-CG2 3.27Å; A281-V309 PolarHBondContact O-N 3.43Å; N282-V309 WeakPolarHBondContact CA-O 3.36Å; N282-V309 HydrophobicContact CB-CG2 4.23Å; N282-V309 PolarHBondContact OD1-O 2.86Å; K283-V309 PolarHBondContact N-O 3.46Å; M284-V309 WeakPolarHBondContact CG-O 3.28Å; M284-V309 PolarHBondContact N-O 2.95Å; I307-V309 HydrophobicContact CG2-CG1 3.99Å; V309-N316 HydrophobicContact CG1-CB 4.31Å; V309-I317 HydrophobicContact CB-CD1 4.32Å; V309-L320 HydrophobicContact CG1-CB 4.17Å; V309-L320 HydrophobicContact CG1-CD2 4.22Å
310S93.6Very high90Very high2 Ų263.4 Ų63.41%0.01433%0.334CS..BIsolated β-bridgetrans-128.6113.9157.8171.60000109.6D285 I312 T313 R314 D315D285-S310 VanDerWaalsContact CG-OG 3.29Å; D285-S310 VanDerWaalsContact OD1-CB 3.31Å; D285-S310 WeakPolarHBondContact OD1-CB 3.27Å; D285-S310 PolarHBondContact OD1-OG 3.4Å; S310-I312 PolarHBondContact O-N 2.77Å; S310-I312 PolarHBondContact OG-N 2.64Å; S310-T313 WeakPolarHBondContact CB-OG1 3.5Å; S310-T313 PolarHBondContact OG-N 3.34Å; S310-T313 PolarHBondContact OG-OG1 3.44Å; S310-R314 CarbonylContact O-C 3.58Å; S310-R314 VanDerWaalsContact O-CA 3.24Å; S310-R314 WeakPolarHBondContact O-CA 3.36Å; S310-R314 PolarHBondContact O-N 2.84Å; S310-D315 PolarHBondContact N-O 2.86Å; S310-D315 PolarHBondContact O-N 3.38Å; S310-D315 VanDerWaalsContact O-N 3.09Å
311T88.5Confident90.3Very high4 Ų462.5 Ų62.53%0.02533%0.329CS..THydrogen-bonded Turntrans-63.2-27.8174.650.40000112.7L174 I177 M243 N282 I317L174-T311 HydrophobicContact CB-CG2 3.76Å; L174-T311 HydrophobicContact CD1-CG2 4.02Å; L174-T311 HydrophobicContact CG-CG2 4.45Å; I177-T311 WeakPolarHBondContact CD1-O 3.42Å; M243-T311 HydrophobicContact CE-CG2 3.5Å; M243-T311 VanDerWaalsContact CE-CG2 3.5Å; N282-T311 PolarHBondContact ND2-OG1 2.62Å; N282-T311 PolarHBondContact OD1-N 2.76Å; N282-T311 PolarHBondContact OD1-OG1 2.79Å; T311-I317 HydrophobicContact CG2-CD1 4.48Å
312I87.8Confident90.8Very high124 Ų12463.9 Ų63.964%0.63632%0.323SS*.THydrogen-bonded Turntrans-76.4-49-177.2-64.1176000110.3S310 R314S310-I312 PolarHBondContact O-N 2.77Å; S310-I312 PolarHBondContact OG-N 2.64Å; I312-R314 VanDerWaalsContact C-N 3.25Å; I312-R314 PolarHBondContact O-N 2.83Å
313T89.6Confident91.4Very high86 Ų8655.4 Ų55.453%0.52829%0.287SS..THydrogen-bonded Turntrans-81.5-8.4179.165.20000112.7D285 S310 D315D285-T313 HydrophobicContact CB-CG2 3.98Å; S310-T313 WeakPolarHBondContact CB-OG1 3.5Å; S310-T313 PolarHBondContact OG-N 3.34Å; S310-T313 PolarHBondContact OG-OG1 3.44Å; T313-D315 PolarHBondContact O-N 2.84Å; T313-D315 WeakPolarHBondContact OG1-CB 3.27Å; T313-D315 PolarHBondContact OG1-N 2.87Å
314R89.5Confident92Very high170 Ų17047.9 Ų47.964%0.64225%0.247SC*.THydrogen-bonded Turntrans60.128.7-172-53.8-177177.4-170.6-2.6112.9I177 S310 I312 I317I177-R314 HydrophobicContact CG2-CG 4.23Å; S310-R314 CarbonylContact O-C 3.58Å; S310-R314 VanDerWaalsContact O-CA 3.24Å; S310-R314 WeakPolarHBondContact O-CA 3.36Å; S310-R314 PolarHBondContact O-N 2.84Å; I312-R314 VanDerWaalsContact C-N 3.25Å; I312-R314 PolarHBondContact O-N 2.83Å; R314-I317 HydrophobicContact CB-CG1 4.33Å
315D91.5Very high92.3Very high97 Ų9746.6 Ų46.652%0.51924%0.239SC..BIsolated β-bridgetrans-75.6137.5178.3-173.239.4000111.3S310 T313 I317S310-D315 PolarHBondContact N-O 2.86Å; S310-D315 PolarHBondContact O-N 3.38Å; S310-D315 VanDerWaalsContact O-N 3.09Å; T313-D315 PolarHBondContact O-N 2.84Å; T313-D315 WeakPolarHBondContact OG1-CB 3.27Å; T313-D315 PolarHBondContact OG1-N 2.87Å; D315-I317 PolarHBondContact O-N 2.91Å
316N93.6Very high92.3Very high59 Ų5948.1 Ų48.132%0.31624%0.244SC..THydrogen-bonded Turntrans56.516.3177.1-152.331.8000116.5P308 V309 D318 Q319 L320P308-N316 WeakPolarHBondContact O-CB 2.99Å; P308-N316 PolarHBondContact O-ND2 2.71Å; V309-N316 HydrophobicContact CG1-CB 4.31Å; N316-D318 PolarHBondContact O-N 3.05Å; N316-Q319 PolarHBondContact O-N 2.95Å; N316-Q319 WeakPolarHBondContact OD1-CB 3.36Å; N316-L320 PolarHBondContact O-N 3.49Å
317I93.1Very high92Very high13 Ų1349.5 Ų49.57%0.06725%0.249CC..Hα-helixtrans-63.6-41.4-179-60.6-63.4000111.7L174 V178 V309 T311 R314 D315 Q319 L320 L321L174-I317 HydrophobicContact CD1-CD1 3.98Å; V178-I317 HydrophobicContact CG1-CG2 3.61Å; V309-I317 HydrophobicContact CB-CD1 4.32Å; T311-I317 HydrophobicContact CG2-CD1 4.48Å; R314-I317 HydrophobicContact CB-CG1 4.33Å; D315-I317 PolarHBondContact O-N 2.91Å; I317-Q319 VanDerWaalsContact C-N 3.31Å; I317-Q319 PolarHBondContact O-N 3.2Å; I317-L320 WeakPolarHBondContact O-CB 2.89Å; I317-L320 PolarHBondContact O-N 3.22Å; I317-L321 HydrophobicContact CG2-CD1 4.49Å; I317-L321 HydrophobicContact CG2-CG 4.35Å; I317-L321 WeakPolarHBondContact O-CG 3.39Å; I317-L321 PolarHBondContact O-N 3.29Å
318D92.8Very high91.5Very high92 Ų9248.8 Ų48.849%0.49225%0.245SC..Hα-helixtrans-62.1-39.8-179.7-70.4-19.6000111.8P203 N316 L320 L321 Y322P203-D318 HydrophobicContact CG-CB 4.29Å; N316-D318 PolarHBondContact O-N 3.05Å; D318-L320 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 3.02Å; D318-L321 PolarHBondContact O-N 3.08Å; D318-L321 VanDerWaalsContact O-N 3.16Å; D318-Y322 HydrophobicContact CB-CE2 4.27Å; D318-Y322 WeakPolarHBondContact O-CD2 3.33Å; D318-Y322 PolarHBondContact O-N 2.97Å
319Q92.9Very high90.9Very high105 Ų10550.9 Ų50.949%0.49125%0.251SS..Hα-helixtrans-64.6-39.3176.8-17061.927.100112N316 I317 L321 Y322 A323N316-Q319 PolarHBondContact O-N 2.95Å; N316-Q319 WeakPolarHBondContact OD1-CB 3.36Å; I317-Q319 VanDerWaalsContact C-N 3.31Å; I317-Q319 PolarHBondContact O-N 3.2Å; Q319-L321 VanDerWaalsContact C-N 3.34Å; Q319-Y322 PolarHBondContact O-N 2.97Å; Q319-A323 PolarHBondContact O-N 3.02Å
320L94.3Very high90.1Very high0 Ų057.3 Ų57.30%028%0.281CS..Hα-helixtrans-59.8-45.8171.5172.259.1000111L174 I278 V280 I307 V309 N316 I317 D318 Y322 A323 I324L174-L320 HydrophobicContact CD1-CD2 4.05Å; L174-L320 HydrophobicContact CD2-CD2 4.02Å; I278-L320 HydrophobicContact CG2-CD1 4.24Å; V280-L320 HydrophobicContact CG1-CD2 4.03Å; V280-L320 HydrophobicContact CG2-CD1 3.43Å; V280-L320 VanDerWaalsContact CG2-CD1 3.43Å; V280-L320 HydrophobicContact CG2-CD2 3.75Å; V280-L320 HydrophobicContact CG2-CG 4.24Å; I307-L320 HydrophobicContact CD1-CD1 4.03Å; I307-L320 HydrophobicContact CG2-CB 4.2Å; V309-L320 HydrophobicContact CG1-CB 4.17Å; V309-L320 HydrophobicContact CG1-CD2 4.22Å; N316-L320 PolarHBondContact O-N 3.49Å; I317-L320 WeakPolarHBondContact O-CB 2.89Å; I317-L320 PolarHBondContact O-N 3.22Å; D318-L320 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 3.02Å; L320-Y322 VanDerWaalsContact C-N 3.35Å; L320-Y322 PolarHBondContact O-N 3.31Å; L320-A323 PolarHBondContact O-N 3.01Å; L320-I324 HydrophobicContact CD1-CD1 3.7Å; L320-I324 HydrophobicContact CD1-CG1 4.04Å; L320-I324 HydrophobicContact CG-CD1 3.85Å; L320-I324 VanDerWaalsContact O-CG1 3.29Å; L320-I324 WeakPolarHBondContact O-CG1 3.47Å; L320-I324 PolarHBondContact O-N 3.41Å
321L93.2Very high89Confident9 Ų960.5 Ų60.55%0.04729%0.293CS..Hα-helixtrans-63.8-39.1180-64.2-169.5000112.6V178 V200 T202 F208 I317 D318 Q319 A325V178-L321 HydrophobicContact CB-CD2 4.2Å; V178-L321 HydrophobicContact CG1-CD1 4.32Å; V178-L321 HydrophobicContact CG1-CD2 3.96Å; V178-L321 HydrophobicContact CG1-CG 4.46Å; V200-L321 HydrophobicContact CG1-CD1 3.9Å; V200-L321 HydrophobicContact CG1-CD2 3.54Å; V200-L321 HydrophobicContact CG1-CG 4.3Å; T202-L321 HydrophobicContact CG2-CB 4.06Å; F208-L321 HydrophobicContact CZ-CD2 4.17Å; I317-L321 HydrophobicContact CG2-CD1 4.49Å; I317-L321 HydrophobicContact CG2-CG 4.35Å; I317-L321 WeakPolarHBondContact O-CG 3.39Å; I317-L321 PolarHBondContact O-N 3.29Å; D318-L321 PolarHBondContact O-N 3.08Å; D318-L321 VanDerWaalsContact O-N 3.16Å; Q319-L321 VanDerWaalsContact C-N 3.34Å; L321-A325 WeakPolarHBondContact O-CB 3.29Å; L321-A325 PolarHBondContact O-N 3.43Å
322Y93.6Very high87.5Confident65 Ų6565.7 Ų65.726%0.25532%0.316SS..Hα-helixtrans-64-47.9174.4-66.6-47.4000111.9T202 P203 D204 D318 Q319 L320 I324 A325 D326T202-Y322 HydrophobicContact CG2-CD1 4.43Å; P203-Y322 VanDerWaalsContact CB-OH 3.31Å; P203-Y322 WeakPolarHBondContact CB-OH 3.48Å; P203-Y322 HydrophobicContact CG-CE1 4.35Å; P203-Y322 WeakPolarHBondContact CG-OH 3.41Å; D204-Y322 HydrophobicContact CB-CE1 4.1Å; D318-Y322 HydrophobicContact CB-CE2 4.27Å; D318-Y322 WeakPolarHBondContact O-CD2 3.33Å; D318-Y322 PolarHBondContact O-N 2.97Å; Q319-Y322 PolarHBondContact O-N 2.97Å; L320-Y322 VanDerWaalsContact C-N 3.35Å; L320-Y322 PolarHBondContact O-N 3.31Å; Y322-I324 VanDerWaalsContact C-N 3.3Å; Y322-I324 PolarHBondContact O-N 2.83Å; Y322-A325 PolarHBondContact O-N 2.67Å; Y322-A325 VanDerWaalsContact O-N 3.1Å; Y322-D326 WeakPolarHBondContact O-CB 3.31Å; Y322-D326 PolarHBondContact O-N 2.83Å
323A92.5Very high85.5Confident20 Ų2067.4 Ų67.417%0.16533%0.326CS..Hα-helixtrans-60.9-39.1179.500000112.8I278 I307 Q319 L320 K327I278-A323 HydrophobicContact CD1-CB 4.33Å; I307-A323 HydrophobicContact CD1-CB 3.27Å; Q319-A323 PolarHBondContact O-N 3.02Å; L320-A323 PolarHBondContact O-N 3.01Å; A323-K327 PolarHBondContact O-N 3.26Å
324I92.5Very high83.4Confident0 Ų065 Ų650%031%0.312CS..Hα-helixtrans-63.5-47.4173.8-68.5166.7000110.6V161 F208 M210 V241 I278 L320 Y322 D326 K327 L328V161-I324 HydrophobicContact CG1-CG2 4.29Å; V161-I324 HydrophobicContact CG2-CG2 3.53Å; F208-I324 HydrophobicContact CD2-CG2 4.28Å; F208-I324 HydrophobicContact CE1-CG2 4.11Å; F208-I324 HydrophobicContact CE2-CG2 3.63Å; F208-I324 HydrophobicContact CZ-CB 4.11Å; F208-I324 HydrophobicContact CZ-CG2 3.53Å; M210-I324 HydrophobicContact CE-CD1 3.87Å; V241-I324 HydrophobicContact CG2-CD1 3.87Å; V241-I324 HydrophobicContact CG2-CG1 3.92Å; I278-I324 HydrophobicContact CD1-CB 4.36Å; I278-I324 HydrophobicContact CD1-CG1 3.81Å; L320-I324 HydrophobicContact CD1-CD1 3.7Å; L320-I324 HydrophobicContact CD1-CG1 4.04Å; L320-I324 HydrophobicContact CG-CD1 3.85Å; L320-I324 VanDerWaalsContact O-CG1 3.29Å; L320-I324 WeakPolarHBondContact O-CG1 3.47Å; L320-I324 PolarHBondContact O-N 3.41Å; Y322-I324 VanDerWaalsContact C-N 3.3Å; Y322-I324 PolarHBondContact O-N 2.83Å; I324-D326 VanDerWaalsContact C-N 3.35Å; I324-D326 PolarHBondContact O-N 2.97Å; I324-K327 PolarHBondContact O-N 3.48Å; I324-L328 HydrophobicContact CG2-CD1 4.05Å; I324-L328 HydrophobicContact CG2-CG 4.45Å; I324-L328 VanDerWaalsContact O-CG 3.32Å; I324-L328 WeakPolarHBondContact O-CG 3.47Å; I324-L328 PolarHBondContact O-N 3.19Å
325A88.7Confident80.9Confident1 Ų162.8 Ų62.81%0.00831%0.312CS..Hα-helixtrans-64-40-179.400000112.3T202 F208 L321 Y322 L328 E329T202-A325 HydrophobicContact CG2-CB 3.75Å; F208-A325 HydrophobicContact CE1-CB 4.38Å; L321-A325 WeakPolarHBondContact O-CB 3.29Å; L321-A325 PolarHBondContact O-N 3.43Å; Y322-A325 PolarHBondContact O-N 2.67Å; Y322-A325 VanDerWaalsContact O-N 3.1Å; A325-L328 PolarHBondContact O-N 3.44Å; A325-E329 PolarHBondContact O-N 3.28Å; A325-E329 VanDerWaalsContact O-N 3.08Å
326D90.4Very high78.4Confident84 Ų8461.6 Ų61.645%0.44930%0.303SS..Hα-helixtrans-63.6-44.3176.3-63.6-16.2000110.8R206 Y322 I324 L328 E329 E330R206-D326 IonicContact CZ-OD1 3.15Å; R206-D326 IonicContact NH1-OD1 2.68Å; R206-D326 PolarHBondContact NH1-OD1 2.86Å; R206-D326 IonicContact NH2-OD1 2.81Å; R206-D326 PolarHBondContact NH2-OD1 2.9Å; R206-D326 VanDerWaalsContact NH2-OD1 3.08Å; Y322-D326 WeakPolarHBondContact O-CB 3.31Å; Y322-D326 PolarHBondContact O-N 2.83Å; I324-D326 VanDerWaalsContact C-N 3.35Å; I324-D326 PolarHBondContact O-N 2.97Å; D326-L328 PolarHBondContact O-N 2.98Å; D326-E329 PolarHBondContact O-N 3.09Å; D326-E329 VanDerWaalsContact O-N 3.15Å; D326-E330 PolarHBondContact O-N 2.85Å
327K88.2Confident75.4Confident55 Ų5563.2 Ų63.224%0.23932%0.315CS..Hα-helixtrans-64.6-38175.1-77.9-60.2-176.9-171.30113.5V239 P276 I278 A323 I324 E329 E330 Y331V239-K327 HydrophobicContact CG2-CB 3.93Å; P276-K327 HydrophobicContact CB-CD 4.21Å; I278-K327 HydrophobicContact CD1-CB 4.26Å; I278-K327 HydrophobicContact CD1-CG 3.94Å; I278-K327 HydrophobicContact CG1-CG 4.29Å; A323-K327 PolarHBondContact O-N 3.26Å; I324-K327 PolarHBondContact O-N 3.48Å; K327-E329 PolarHBondContact O-N 3.24Å; K327-E330 WeakPolarHBondContact CD-OE2 3.39Å; K327-E330 IonicContact NZ-OE1 3.59Å; K327-E330 IonicContact NZ-OE2 2.73Å; K327-E330 PolarHBondContact NZ-OE2 3.27Å; K327-E330 PolarHBondContact O-N 2.94Å; K327-Y331 WeakPolarHBondContact O-CB 3.46Å; K327-Y331 PolarHBondContact O-N 2.74Å
328L84.5Confident72.6Confident0 Ų067 Ų670%034%0.339CS..Hα-helixtrans-64.4-28.7173.7-74.2171.9000113D160 V161 F208 K238 V239 I324 A325 D326D160-L328 HydrophobicContact CB-CD1 4.2Å; D160-L328 HydrophobicContact CB-CD2 3.95Å; V161-L328 HydrophobicContact CG2-CD1 3.76Å; V161-L328 HydrophobicContact CG2-CD2 4.15Å; V161-L328 HydrophobicContact CG2-CG 4.24Å; F208-L328 HydrophobicContact CB-CD1 3.58Å; F208-L328 HydrophobicContact CD1-CD1 4Å; F208-L328 HydrophobicContact CD2-CD1 4.09Å; F208-L328 HydrophobicContact CG-CD1 3.64Å; K238-L328 HydrophobicContact CB-CD2 3.77Å; V239-L328 HydrophobicContact CB-CD2 4.23Å; V239-L328 HydrophobicContact CG2-CD2 3.71Å; V239-L328 HydrophobicContact CG2-CG 3.98Å; I324-L328 HydrophobicContact CG2-CD1 4.05Å; I324-L328 HydrophobicContact CG2-CG 4.45Å; I324-L328 VanDerWaalsContact O-CG 3.32Å; I324-L328 WeakPolarHBondContact O-CG 3.47Å; I324-L328 PolarHBondContact O-N 3.19Å; A325-L328 PolarHBondContact O-N 3.44Å; D326-L328 PolarHBondContact O-N 2.98Å
329E81.5Confident69.5Low82 Ų8271.7 Ų71.738%0.38336%0.357SS..Hα-helixtrans-81.7-35.5177-78.2177.3-145.400113.1R206 A325 D326 K327 Y331 K332R206-E329 WeakPolarHBondContact CD-OE1 3.41Å; R206-E329 IonicContact CZ-OE1 3.42Å; R206-E329 IonicContact NE-OE1 2.76Å; R206-E329 IonicContact NH1-OE1 3.24Å; R206-E329 PolarHBondContact NH1-OE1 2.88Å; A325-E329 PolarHBondContact O-N 3.28Å; A325-E329 VanDerWaalsContact O-N 3.08Å; D326-E329 PolarHBondContact O-N 3.09Å; D326-E329 VanDerWaalsContact O-N 3.15Å; K327-E329 PolarHBondContact O-N 3.24Å; E329-Y331 VanDerWaalsContact C-N 3.31Å; E329-K332 WeakPolarHBondContact O-CG 3.28Å
330E80.8Confident66.5Low136 Ų13672.6 Ų72.664%0.63636%0.362SS*.Hα-helixtrans-65.4-37.2173.4-170.5-179.8-173.700111.1D326 K327 K332D326-E330 PolarHBondContact O-N 2.85Å; K327-E330 WeakPolarHBondContact CD-OE2 3.39Å; K327-E330 IonicContact NZ-OE1 3.59Å; K327-E330 IonicContact NZ-OE2 2.73Å; K327-E330 PolarHBondContact NZ-OE2 3.27Å; K327-E330 PolarHBondContact O-N 2.94Å; E330-K332 PolarHBondContact O-N 3.27Å
331Y69.1Low63.5Low68 Ų6881.6 Ų81.627%0.26740%0.404SS..THydrogen-bonded Turntrans-9838.6-174-144.1-112.6000113.5K238 D274 P276 K327 E329 D333 V334K238-Y331 HydrophobicContact CB-CD1 4.47Å; D274-Y331 PolarHBondContact O-OH 2.97Å; D274-Y331 VanDerWaalsContact O-OH 3.04Å; P276-Y331 VanDerWaalsContact CD-CE1 3.44Å; P276-Y331 VanDerWaalsContact CD-CZ 3.41Å; P276-Y331 HydrophobicContact CG-CD1 3.95Å; P276-Y331 HydrophobicContact CG-CD2 3.35Å; P276-Y331 HydrophobicContact CG-CE1 4.19Å; P276-Y331 HydrophobicContact CG-CE2 3.67Å; P276-Y331 HydrophobicContact CG-CG 3.52Å; K327-Y331 WeakPolarHBondContact O-CB 3.46Å; K327-Y331 PolarHBondContact O-N 2.74Å; E329-Y331 VanDerWaalsContact C-N 3.31Å; Y331-D333 VanDerWaalsContact C-N 3.33Å; Y331-D333 PolarHBondContact O-N 2.75Å; Y331-V334 HydrophobicContact CD1-CG2 3.27Å; Y331-V334 HydrophobicContact CE1-CB 4.47Å; Y331-V334 HydrophobicContact CE1-CG2 3.02Å; Y331-V334 HydrophobicContact CG-CG2 4.19Å
332K57.9Low60.6Low113 Ų11390.5 Ų90.549%0.49145%0.445SS..  trans-65.8-33.9179.5-79.6175.5-172.8178.80113K238 E329 E330 V334K238-K332 PolarHBondContact NZ-O 3.2Å; E329-K332 WeakPolarHBondContact O-CG 3.28Å; E330-K332 PolarHBondContact O-N 3.27Å; K332-V334 PolarHBondContact O-N 2.82Å
333D46.1Very low57.5Low161 Ų16190.7 Ų90.786%0.86146%0.456SS*.  trans-99.152.1-165.3-57.8-36.1000114Y331Y331-D333 VanDerWaalsContact C-N 3.33Å; Y331-D333 PolarHBondContact O-N 2.75Å
334V44.7Very low54.4Low36 Ų3696 Ų9622%0.21849%0.486CS..  trans-90.8109.5168.2-173.60000109Y331 K332 F336Y331-V334 HydrophobicContact CD1-CG2 3.27Å; Y331-V334 HydrophobicContact CE1-CB 4.47Å; Y331-V334 HydrophobicContact CE1-CG2 3.02Å; Y331-V334 HydrophobicContact CG-CG2 4.19Å; K332-V334 PolarHBondContact O-N 2.82Å; V334-F336 HydrophobicContact CB-CE2 4.36Å; V334-F336 HydrophobicContact CB-CZ 4.43Å; V334-F336 HydrophobicContact CG1-CD1 4.39Å; V334-F336 HydrophobicContact CG1-CE1 4.28Å; V334-F336 HydrophobicContact CG1-CZ 4.37Å; V334-F336 WeakPolarHBondContact O-CD2 3.27Å; V334-F336 PolarHBondContact O-N 2.89Å; V334-F336 VanDerWaalsContact O-N 3.13Å
335D36.7Very low51.4Low122 Ų12298.2 Ų98.265%0.65251%0.509SS*.  trans-67.5104.9165.4-155.6-23.5000108.2T337D335-T337 PolarHBondContact O-N 2.99Å; D335-T337 WeakPolarHBondContact OD1-CB 3.49Å; D335-T337 WeakPolarHBondContact OD1-CG2 3.31Å; D335-T337 PolarHBondContact OD1-N 2.81Å; D335-T337 PolarHBondContact OD1-OG1 2.92Å; D335-T337 PolarHBondContact OD2-OG1 3.44Å
336F40.1Very low48.5Very low72 Ų72104 Ų10432%0.31654%0.538SS..  trans-76.816.8174-69.4-79.1000112.3R236 V334 V338R236-F336 HydrophobicContact CB-CE1 4.35Å; R236-F336 HydrophobicContact CB-CZ 4.28Å; R236-F336 HydrophobicContact CG-CD1 4.33Å; R236-F336 HydrophobicContact CG-CE1 4.1Å; R236-F336 HydrophobicContact CG-CZ 4.35Å; V334-F336 HydrophobicContact CB-CE2 4.36Å; V334-F336 HydrophobicContact CB-CZ 4.43Å; V334-F336 HydrophobicContact CG1-CD1 4.39Å; V334-F336 HydrophobicContact CG1-CE1 4.28Å; V334-F336 HydrophobicContact CG1-CZ 4.37Å; V334-F336 WeakPolarHBondContact O-CD2 3.27Å; V334-F336 PolarHBondContact O-N 2.89Å; V334-F336 VanDerWaalsContact O-N 3.13Å; F336-V338 PolarHBondContact O-N 2.73Å
337T30.4Very low45.9Very low93 Ų93105 Ų10557%0.57154%0.543SS*.  trans-64.592164.147.50000108.4D335 E339D335-T337 PolarHBondContact O-N 2.99Å; D335-T337 WeakPolarHBondContact OD1-CB 3.49Å; D335-T337 WeakPolarHBondContact OD1-CG2 3.31Å; D335-T337 PolarHBondContact OD1-N 2.81Å; D335-T337 PolarHBondContact OD1-OG1 2.92Å; D335-T337 PolarHBondContact OD2-OG1 3.44Å; T337-E339 PolarHBondContact O-N 2.81Å; T337-E339 VanDerWaalsContact O-N 3.15Å
338V33.2Very low43.4Very low94 Ų94110.6 Ų110.657%0.5756%0.563SS**  trans-56.3120149.4-168.80000104F336 E340F336-V338 PolarHBondContact O-N 2.73Å; V338-E340 HydrophobicContact CB-CG 4.04Å; V338-E340 HydrophobicContact CG1-CB 4.44Å; V338-E340 HydrophobicContact CG1-CG 3.59Å; V338-E340 PolarHBondContact O-N 2.81Å
339E28.5Very low41.2Very low190 Ų190112.4 Ų112.489%0.88857%0.574SS**  trans-64.364.8158.7-69.2-173.8162.100107.2T337 E341T337-E339 PolarHBondContact O-N 2.81Å; T337-E339 VanDerWaalsContact O-N 3.15Å; E339-E341 PolarHBondContact O-N 2.68Å
340E29.3Very low39.1Very low124 Ų124112.7 Ų112.758%0.57958%0.578SS**  trans-69.9107.2159-77.7-169.2179.500105V338 E342 S343V338-E340 HydrophobicContact CB-CG 4.04Å; V338-E340 HydrophobicContact CG1-CB 4.44Å; V338-E340 HydrophobicContact CG1-CG 3.59Å; V338-E340 PolarHBondContact O-N 2.81Å; E340-E342 PolarHBondContact O-N 2.76Å; E340-S343 PolarHBondContact OE2-OG 2.8Å; E340-S343 VanDerWaalsContact OE2-OG 3.09Å
341E30.8Very low36.8Very low188 Ų188113.2 Ų113.288%0.87958%0.575SS**THydrogen-bonded Turntrans-26.7105.8162.3-66.5-178.7150.800110.9E339 S343E339-E341 PolarHBondContact O-N 2.68Å; E341-S343 PolarHBondContact O-N 3.24Å
342E34.1Very low35.2Very low196 Ų196117 Ų11792%0.91659%0.593SS**THydrogen-bonded Turntrans30.147.7168.9-67.3-173.1152.300115.8E340 V344E340-E342 PolarHBondContact O-N 2.76Å; E342-V344 PolarHBondContact O-N 2.86Å
343S27.7Very low33.9Very low70 Ų70118.9 Ų118.949%0.4960%0.603SS.*  trans-92.9101.6163.8103.40000105.1E340 E341 G345E340-S343 PolarHBondContact OE2-OG 2.8Å; E340-S343 VanDerWaalsContact OE2-OG 3.09Å; E341-S343 PolarHBondContact O-N 3.24Å; S343-G345 VanDerWaalsContact C-N 3.26Å; S343-G345 PolarHBondContact O-N 3.23Å
344V27.5Very low33.4Very low131 Ų131116.8 Ų116.879%0.79460%0.596SS**  trans-51.595.3177.1176.40000107.6E342 I346E342-V344 PolarHBondContact O-N 2.86Å; V344-I346 WeakPolarHBondContact O-CG1 3.4Å; V344-I346 PolarHBondContact O-N 3.05Å
345G28.8Very low32.9Very low46 Ų46119.9 Ų119.947%0.47462%0.617SS.*  trans-51.7108.1176.500000106.7S343 N347S343-G345 VanDerWaalsContact C-N 3.26Å; S343-G345 PolarHBondContact O-N 3.23Å; G345-N347 PolarHBondContact O-N 3.36Å
346I28.3Very low33.1Very low124 Ų124118.8 Ų118.864%0.63662%0.619SS**  trans-68.591.2-175.7-56.8173.6000105.3V344 R348V344-I346 WeakPolarHBondContact O-CG1 3.4Å; V344-I346 PolarHBondContact O-N 3.05Å; I346-R348 HydrophobicContact CG2-CB 4.22Å; I346-R348 HydrophobicContact CG2-CG 3.69Å; I346-R348 PolarHBondContact O-N 3.3Å
347N35.2Very low33.3Very low103 Ų103123 Ų12355%0.55164%0.639SS**  trans-5783.5161.6-96.3-46.2000107.1G345 V349G345-N347 PolarHBondContact O-N 3.36Å; N347-V349 PolarHBondContact O-N 3.42Å
348R37.2Very low34.5Very low174 Ų174123.4 Ų123.466%0.65764%0.638SS**  trans-81.958.2-175.3-121.2171.2-160.1-176.68.1108.3I346 L350I346-R348 HydrophobicContact CG2-CB 4.22Å; I346-R348 HydrophobicContact CG2-CG 3.69Å; I346-R348 PolarHBondContact O-N 3.3Å; R348-L350 VanDerWaalsContact C-N 3.26Å; R348-L350 PolarHBondContact O-N 2.67Å
349V36.5Very low36.5Very low37 Ų37128 Ų12822%0.22465%0.65CS.*  trans-66105.8149.7-168.90000104N347 Y351N347-V349 PolarHBondContact O-N 3.42Å; V349-Y351 HydrophobicContact CB-CD2 3.63Å; V349-Y351 HydrophobicContact CB-CE2 3.4Å; V349-Y351 VanDerWaalsContact CB-CE2 3.4Å; V349-Y351 HydrophobicContact CB-CG 4.47Å; V349-Y351 HydrophobicContact CG1-CD1 4.08Å; V349-Y351 HydrophobicContact CG1-CD2 3.49Å; V349-Y351 VanDerWaalsContact CG1-CD2 3.49Å; V349-Y351 HydrophobicContact CG1-CE1 3.77Å; V349-Y351 HydrophobicContact CG1-CE2 3.16Å; V349-Y351 HydrophobicContact CG1-CG 3.95Å; V349-Y351 HydrophobicContact CG2-CE2 4.08Å; V349-Y351 PolarHBondContact O-N 3.07Å
350L38.4Very low39.4Very low88 Ų88121.4 Ų121.446%0.46162%0.619SS.*  trans-67.869.9172.3-87.8156.7000107.6R348 K352R348-L350 VanDerWaalsContact C-N 3.26Å; R348-L350 PolarHBondContact O-N 2.67Å; L350-K352 PolarHBondContact O-N 3.02Å
351Y33.3Very low42.3Very low147 Ų147119.7 Ų119.758%0.57662%0.617SS**  trans-7178.8156.7-64.1-66.5000105.9V349 H353V349-Y351 HydrophobicContact CB-CD2 3.63Å; V349-Y351 HydrophobicContact CB-CE2 3.4Å; V349-Y351 VanDerWaalsContact CB-CE2 3.4Å; V349-Y351 HydrophobicContact CB-CG 4.47Å; V349-Y351 HydrophobicContact CG1-CD1 4.08Å; V349-Y351 HydrophobicContact CG1-CD2 3.49Å; V349-Y351 VanDerWaalsContact CG1-CD2 3.49Å; V349-Y351 HydrophobicContact CG1-CE1 3.77Å; V349-Y351 HydrophobicContact CG1-CE2 3.16Å; V349-Y351 HydrophobicContact CG1-CG 3.95Å; V349-Y351 HydrophobicContact CG2-CE2 4.08Å; V349-Y351 PolarHBondContact O-N 3.07Å; Y351-H353 PolarHBondContact O-N 3.42Å
352K35.2Very low45.1Very low148 Ų148111.4 Ų111.464%0.64358%0.579SS**  trans-6492.8149.3-79.4-176.1-177.3170.30104.6L350 T354L350-K352 PolarHBondContact O-N 3.02Å; K352-T354 PolarHBondContact O-N 2.93Å
353H30.1Very low47.9Very low152 Ų152105 Ų10570%0.70456%0.556SS**  trans-6379164.6-165.5-62.9000105.6Y351 P355Y351-H353 PolarHBondContact O-N 3.42Å; H353-P355 WeakPolarHBondContact O-CD 3.3Å
354T36.4Very low50.9Low117 Ų117109 Ų10972%0.71856%0.56SS**  trans-55.9111.7165.1-49.20000103.9K352 S356K352-T354 PolarHBondContact O-N 2.93Å; T354-S356 PolarHBondContact O-N 3.04Å
355P32.4Very low53.8Low101 Ų101105.9 Ų105.966%0.65654%0.539SS*.  trans-60.3108.6-173.9-21.433.1000107.3H353 Q357H353-P355 WeakPolarHBondContact O-CD 3.3Å; P355-Q357 PolarHBondContact O-N 2.9Å
356S42.3Very low56.5Low99 Ų99112.5 Ų112.569%0.69256%0.563SS**  trans-73.162.6171.965.10000108.2T354 D358T354-S356 PolarHBondContact O-N 3.04Å; S356-D358 VanDerWaalsContact C-N 3.26Å; S356-D358 PolarHBondContact O-N 3.08Å
357Q44.2Very low59.4Low160 Ų160111.4 Ų111.475%0.74856%0.559SS**  trans-85.885157-79.3-171.9-13.500105.5P355 K359P355-Q357 PolarHBondContact O-N 2.9Å; Q357-K359 WeakPolarHBondContact O-CG 3.28Å; Q357-K359 PolarHBondContact O-N 3.34Å
358D55.8Low61.8Low103 Ų103108.1 Ų108.155%0.55155%0.549SS*.  trans2048.9152.6-56.9-27.2000117.6S356 F360 A376 M402S356-D358 VanDerWaalsContact C-N 3.26Å; S356-D358 PolarHBondContact O-N 3.08Å; D358-F360 PolarHBondContact O-N 2.83Å; D358-A376 HydrophobicContact CB-CB 4.27Å; D358-A376 WeakPolarHBondContact OD1-CB 3.46Å; D358-M402 HydrophobicContact CB-CE 4.35Å
359K75.4Confident64.3Low189 Ų189100 Ų10082%0.82252%0.519SS*.  trans-77.3107.7173.5-75-175.6-175.2-179.50107Q357Q357-K359 WeakPolarHBondContact O-CG 3.28Å; Q357-K359 PolarHBondContact O-N 3.34Å
360F87.8Confident66.9Low53 Ų5398.3 Ų98.323%0.23251%0.509CS..  trans-93.4150.4162.364.4-88.8000109.6D358 I362 V372 S373 I377 M402 I404 A407D358-F360 PolarHBondContact O-N 2.83Å; F360-I362 HydrophobicContact CD2-CD1 4.29Å; F360-I362 HydrophobicContact CD2-CG1 3.92Å; F360-I362 HydrophobicContact CE2-CD1 3.89Å; F360-I362 HydrophobicContact CE2-CG1 4.03Å; F360-V372 HydrophobicContact CB-CG1 4.23Å; F360-V372 HydrophobicContact CD2-CG1 4.28Å; F360-S373 CarbonylContact C-O 3.59Å; F360-S373 WeakPolarHBondContact CA-O 3.34Å; F360-S373 WeakPolarHBondContact CB-O 3.47Å; F360-I377 HydrophobicContact CB-CG2 4.43Å; F360-M402 WeakPolarHBondContact CE1-O 3.45Å; F360-I404 HydrophobicContact CD1-CD1 4.46Å; F360-I404 HydrophobicContact CD1-CG1 3.8Å; F360-I404 HydrophobicContact CD2-CG1 4.09Å; F360-I404 HydrophobicContact CE1-CG1 3.78Å; F360-I404 HydrophobicContact CE2-CB 4.5Å; F360-I404 HydrophobicContact CE2-CG1 4.08Å; F360-I404 HydrophobicContact CG-CD1 4.49Å; F360-I404 HydrophobicContact CG-CG1 3.96Å; F360-I404 HydrophobicContact CZ-CB 4.45Å; F360-I404 HydrophobicContact CZ-CG1 3.92Å; F360-A407 HydrophobicContact CE2-CB 3.61Å; F360-A407 HydrophobicContact CZ-CB 3.69Å
361T90.5Very high69.5Low87 Ų8795.2 Ų95.253%0.53449%0.493SS..EExtended strand (participates in β ladder)trans-112.9150.9168.551.80000108.4V372 S373T361-V372 WeakPolarHBondContact O-CA 3.3Å; T361-S373 PolarHBondContact N-O 2.72Å; T361-S373 PolarHBondContact O-N 3.48Å
362I90.9Very high72.3Confident14 Ų1488.2 Ų88.27%0.07247%0.466CS..EExtended strand (participates in β ladder)trans-125.9114.3171.2-41.4167.1000107.3F360 Y370 V371 V372 A407 L408 R411F360-I362 HydrophobicContact CD2-CD1 4.29Å; F360-I362 HydrophobicContact CD2-CG1 3.92Å; F360-I362 HydrophobicContact CE2-CD1 3.89Å; F360-I362 HydrophobicContact CE2-CG1 4.03Å; I362-Y370 HydrophobicContact CG2-CD1 4.03Å; I362-V371 CarbonylContact C-O 3.46Å; I362-V371 WeakPolarHBondContact CA-O 3.36Å; I362-V372 HydrophobicContact CG1-CG1 4.47Å; I362-V372 HydrophobicContact CG1-CG2 4.19Å; I362-V372 HydrophobicContact CG2-CG2 4.18Å; I362-A407 HydrophobicContact CD1-CB 3.81Å; I362-L408 HydrophobicContact CD1-CD2 3.92Å; I362-L408 HydrophobicContact CD1-CG 3.88Å; I362-L408 HydrophobicContact CG2-CD2 3.78Å; I362-R411 VanDerWaalsContact N-NH1 3.19Å; I362-R411 PolarHBondContact O-NH1 3.38Å
363S92.2Very high74.9Confident62 Ų6282.9 Ų82.943%0.43445%0.447SS..EExtended strand (participates in β ladder)trans-105.7178.3172.350.50000110.6Y370 V371S363-Y370 WeakPolarHBondContact O-CA 3.44Å; S363-V371 PolarHBondContact N-O 3.11Å; S363-V371 PolarHBondContact O-N 3.35Å
364R90.9Very high77.7Confident153 Ų15376.2 Ų76.258%0.57742%0.42SS*.EExtended strand (participates in β ladder)trans-121.8137.9171-76.4-168.6175.7-150.36.5109.8A369 Y370R364-A369 WeakPolarHBondContact CA-O 3.28Å; R364-Y370 HydrophobicContact CG-CD1 4.38Å; R364-Y370 PolarHBondContact NH2-OH 2.74Å
365D88.8Confident80.1Confident67 Ų6777.5 Ų77.536%0.35842%0.422SS..  trans-83.8168.1169.4-79.1-14.6000111.4D367 G368 A369 V371 R420D365-D367 VanDerWaalsContact CB-OD1 3.31Å; D365-D367 WeakPolarHBondContact CB-OD1 3.02Å; D365-D367 PolarHBondContact O-N 2.99Å; D365-G368 WeakPolarHBondContact O-CA 3.4Å; D365-G368 PolarHBondContact O-N 3.39Å; D365-A369 PolarHBondContact N-O 3.28Å; D365-V371 HydrophobicContact CB-CG2 4.34Å; D365-V371 WeakPolarHBondContact OD1-CG2 3.5Å; D365-V371 VanDerWaalsContact OD2-CG2 3.28Å; D365-V371 WeakPolarHBondContact OD2-CG2 3.31Å; D365-R420 WeakPolarHBondContact OD2-CD 3.21Å; D365-R420 IonicContact OD2-CZ 2.66Å; D365-R420 IonicContact OD2-NH1 2.62Å; D365-R420 PolarHBondContact OD2-NH1 2.88Å
366D84.9Confident82.8Confident184 Ų18474 Ų7498%0.98440%0.402SS*.THydrogen-bonded Turntrans-60.3-27.6-178.7-68.2-26.6000113.6G368D366-G368 VanDerWaalsContact C-N 3.27Å
367D88.5Confident85.1Confident102 Ų10269.3 Ų69.355%0.54537%0.369SS..THydrogen-bonded Turntrans-85.21.1175.663.6-4.5000113.5D365 A369 R420D365-D367 VanDerWaalsContact CB-OD1 3.31Å; D365-D367 WeakPolarHBondContact CB-OD1 3.02Å; D365-D367 PolarHBondContact O-N 2.99Å; D367-A369 WeakPolarHBondContact OD1-CB 3.35Å; D367-A369 PolarHBondContact OD1-N 3.14Å; D367-R420 VanDerWaalsContact CG-NH1 3.34Å; D367-R420 IonicContact OD1-CZ 3.06Å; D367-R420 IonicContact OD1-NH1 3.74Å; D367-R420 PolarHBondContact OD1-NH1 2.79Å; D367-R420 IonicContact OD2-CZ 2.64Å; D367-R420 IonicContact OD2-NH1 3.53Å; D367-R420 PolarHBondContact OD2-NH1 2.94Å; D367-R420 IonicContact OD2-NH2 3.72Å; D367-R420 PolarHBondContact OD2-NH2 3.45Å
368G86.5Confident87.4Confident33 Ų3363.8 Ų63.834%0.3434%0.343SS..SBendtrans87.6-0.1177.900000114.8D365 D366D365-G368 WeakPolarHBondContact O-CA 3.4Å; D365-G368 PolarHBondContact O-N 3.39Å; D366-G368 VanDerWaalsContact C-N 3.27Å
369A89Confident89Confident4 Ų463.7 Ų63.73%0.03334%0.335CS..  trans-65.3142.4175.400000111.4R364 D365 D367 I418 R420R364-A369 WeakPolarHBondContact CA-O 3.28Å; D365-A369 PolarHBondContact N-O 3.28Å; D367-A369 WeakPolarHBondContact OD1-CB 3.35Å; D367-A369 PolarHBondContact OD1-N 3.14Å; A369-I418 WeakPolarHBondContact CA-O 3.37Å; A369-I418 HydrophobicContact CB-CB 4.15Å; A369-I418 HydrophobicContact CB-CG2 4.1Å; A369-R420 HydrophobicContact CB-CG 4.47Å
370Y91.9Very high89.6Confident2 Ų255.8 Ų55.81%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-82127.1174.6-67.5-94.1000109.7I362 S363 R364 L408 R411 G412 C413 D417 I418 V419 R420I362-Y370 HydrophobicContact CG2-CD1 4.03Å; S363-Y370 WeakPolarHBondContact O-CA 3.44Å; R364-Y370 HydrophobicContact CG-CD1 4.38Å; R364-Y370 PolarHBondContact NH2-OH 2.74Å; Y370-L408 HydrophobicContact CD1-CD2 3.94Å; Y370-L408 HydrophobicContact CG-CD2 3.91Å; Y370-R411 HydrophobicContact CE1-CB 4.07Å; Y370-R411 PolarHBondContact OH-O 3.36Å; Y370-G412 PolarHBondContact OH-O 2.88Å; Y370-G412 VanDerWaalsContact OH-O 3.08Å; Y370-C413 HydrophobicContact CD2-CB 4.13Å; Y370-C413 HydrophobicContact CE1-CB 4.1Å; Y370-C413 HydrophobicContact CE2-CB 3.67Å; Y370-C413 VanDerWaalsContact OH-CA 3.27Å; Y370-C413 WeakPolarHBondContact OH-CA 3.4Å; Y370-C413 PolarHBondContact OH-N 2.94Å; Y370-D417 HydrophobicContact CD2-CB 4.33Å; Y370-D417 HydrophobicContact CE2-CB 4.09Å; Y370-D417 WeakPolarHBondContact CE2-OD2 3.4Å; Y370-I418 PolarHBondContact N-O 2.96Å; Y370-V419 CarbonylContact O-C 2.97Å; Y370-V419 VanDerWaalsContact O-CA 3.31Å; Y370-V419 WeakPolarHBondContact O-CA 3.45Å; Y370-R420 PolarHBondContact O-N 2.98Å
371V92.5Very high89.9Confident22 Ų2254.7 Ų54.713%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-107116.9177.7-178.50000109.1I362 S363 D365 R420I362-V371 CarbonylContact C-O 3.46Å; I362-V371 WeakPolarHBondContact CA-O 3.36Å; S363-V371 PolarHBondContact N-O 3.11Å; S363-V371 PolarHBondContact O-N 3.35Å; D365-V371 HydrophobicContact CB-CG2 4.34Å; D365-V371 WeakPolarHBondContact OD1-CG2 3.5Å; D365-V371 VanDerWaalsContact OD2-CG2 3.28Å; D365-V371 WeakPolarHBondContact OD2-CG2 3.31Å; V371-R420 WeakPolarHBondContact CA-O 3.21Å; V371-R420 HydrophobicContact CG2-CB 4.13Å
372V92.4Very high90Very high0 Ų055.6 Ų55.60%029%0.293CS..EExtended strand (participates in β ladder)trans-99.2121.2175.1-170.80000109.2F360 T361 I362 I377 I404 L408 V419 R420 I421F360-V372 HydrophobicContact CB-CG1 4.23Å; F360-V372 HydrophobicContact CD2-CG1 4.28Å; T361-V372 WeakPolarHBondContact O-CA 3.3Å; I362-V372 HydrophobicContact CG1-CG1 4.47Å; I362-V372 HydrophobicContact CG1-CG2 4.19Å; I362-V372 HydrophobicContact CG2-CG2 4.18Å; V372-I377 HydrophobicContact CG1-CG1 4.5Å; V372-I377 HydrophobicContact CG1-CG2 4.31Å; V372-I404 HydrophobicContact CG1-CD1 4.42Å; V372-I404 HydrophobicContact CG1-CG2 4.05Å; V372-I404 HydrophobicContact CG2-CG2 4.16Å; V372-L408 HydrophobicContact CG2-CD2 4.29Å; V372-V419 HydrophobicContact CG2-CG1 3.71Å; V372-R420 PolarHBondContact N-O 3.03Å; V372-I421 HydrophobicContact CB-CG1 4.22Å
373S89.3Confident90.1Very high36 Ų3655.6 Ų55.625%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-124.4151.5179.7-56.80000111F360 T361F360-S373 CarbonylContact C-O 3.59Å; F360-S373 WeakPolarHBondContact CA-O 3.34Å; F360-S373 WeakPolarHBondContact CB-O 3.47Å; T361-S373 PolarHBondContact N-O 2.72Å; T361-S373 PolarHBondContact O-N 3.48Å
374G89.6Confident90.1Very high12 Ų1253 Ų5312%0.12428%0.275CS..  trans151.8140.9177.500000112.8A376 I377 E378G374-A376 VanDerWaalsContact C-N 3.26Å; G374-A376 PolarHBondContact O-N 3.01Å; G374-A376 VanDerWaalsContact O-N 3.09Å; G374-I377 WeakPolarHBondContact O-CG2 3.45Å; G374-I377 PolarHBondContact O-N 2.8Å; G374-E378 PolarHBondContact N-OE1 3Å; G374-E378 WeakPolarHBondContact O-CB 3.23Å; G374-E378 VanDerWaalsContact O-CG 3.26Å; G374-E378 WeakPolarHBondContact O-CG 3.44Å; G374-E378 PolarHBondContact O-N 2.94Å
375N86.8Confident90Very high144 Ų14448 Ų4877%0.7726%0.259SS*.Hα-helixtrans-52.4-41.5-171.8-66.5-13.5000113.5R379N375-R379 WeakPolarHBondContact O-CB 3.23Å; N375-R379 PolarHBondContact O-N 2.79Å
376A88.1Confident90.1Very high28 Ų2847.8 Ų47.823%0.23126%0.256CS..Hα-helixtrans-71.5-46.4-177.800000113.4D358 G374 M380 M402D358-A376 HydrophobicContact CB-CB 4.27Å; D358-A376 WeakPolarHBondContact OD1-CB 3.46Å; G374-A376 VanDerWaalsContact C-N 3.26Å; G374-A376 PolarHBondContact O-N 3.01Å; G374-A376 VanDerWaalsContact O-N 3.09Å; A376-M380 WeakPolarHBondContact O-CB 3.45Å; A376-M380 PolarHBondContact O-N 2.89Å; A376-M402 HydrophobicContact CB-CE 3.89Å
377I91.2Very high90.2Very high1 Ų146.4 Ų46.41%0.00525%0.248CC..Hα-helixtrans-69.6-39.9179.5-178.457.8000111.1F360 V372 G374 M380 F381 F395 M399 M402 I404 I421F360-I377 HydrophobicContact CB-CG2 4.43Å; V372-I377 HydrophobicContact CG1-CG1 4.5Å; V372-I377 HydrophobicContact CG1-CG2 4.31Å; G374-I377 WeakPolarHBondContact O-CG2 3.45Å; G374-I377 PolarHBondContact O-N 2.8Å; I377-M380 HydrophobicContact CD1-CE 3.33Å; I377-M380 PolarHBondContact O-N 2.95Å; I377-F381 WeakPolarHBondContact O-CB 3.4Å; I377-F381 PolarHBondContact O-N 3.48Å; I377-F395 HydrophobicContact CD1-CE2 3.91Å; I377-F395 HydrophobicContact CD1-CZ 3.7Å; I377-M399 HydrophobicContact CD1-CG 3.73Å; I377-M399 HydrophobicContact CD1-SD 4.32Å; I377-M402 HydrophobicContact CB-CE 4.35Å; I377-I404 HydrophobicContact CB-CD1 4.14Å; I377-I404 HydrophobicContact CD1-CD1 3.81Å; I377-I404 HydrophobicContact CG1-CD1 3.89Å; I377-I421 HydrophobicContact CD1-CD1 4.11Å; I377-I421 HydrophobicContact CG1-CD1 4.02Å; I377-I421 HydrophobicContact CG1-CG2 4.17Å
378E91.7Very high90.1Very high43 Ų4342.7 Ų42.720%0.20123%0.23CC..Hα-helixtrans-65.9-42.7176.9-70.2177.1-157.200112G374 F381 K382 L422G374-E378 PolarHBondContact N-OE1 3Å; G374-E378 WeakPolarHBondContact O-CB 3.23Å; G374-E378 VanDerWaalsContact O-CG 3.26Å; G374-E378 WeakPolarHBondContact O-CG 3.44Å; G374-E378 PolarHBondContact O-N 2.94Å; E378-F381 PolarHBondContact O-N 3.42Å; E378-K382 WeakPolarHBondContact O-CG 3.37Å; E378-K382 PolarHBondContact O-N 3.08Å; E378-L422 HydrophobicContact CB-CD1 4.03Å; E378-L422 HydrophobicContact CB-CD2 4.3Å; E378-L422 HydrophobicContact CB-CG 4.27Å; E378-L422 HydrophobicContact CG-CD1 4.2Å; E378-L422 HydrophobicContact CG-CD2 3.8Å; E378-L422 HydrophobicContact CG-CG 3.88Å
379R89.5Confident90.2Very high101 Ų10145.2 Ų45.238%0.38124%0.236SC..Hα-helixtrans-58.4-48.5171.6175.1-177.5168.7155.78.2110.9E144 N375 F381 K382 M383E144-R379 VanDerWaalsContact CD-NE 3.26Å; E144-R379 VanDerWaalsContact CD-NH2 3.3Å; E144-R379 HydrophobicContact CG-CG 4.16Å; E144-R379 WeakPolarHBondContact OE1-CD 3.4Å; E144-R379 IonicContact OE1-CZ 2.97Å; E144-R379 IonicContact OE1-NE 3.83Å; E144-R379 PolarHBondContact OE1-NE 3.21Å; E144-R379 IonicContact OE1-NH1 3.77Å; E144-R379 PolarHBondContact OE1-NH1 2.92Å; E144-R379 IonicContact OE1-NH2 2.83Å; E144-R379 PolarHBondContact OE1-NH2 3.23Å; E144-R379 IonicContact OE2-CZ 2.94Å; E144-R379 IonicContact OE2-NE 3.77Å; E144-R379 PolarHBondContact OE2-NE 2.74Å; E144-R379 IonicContact OE2-NH1 3Å; E144-R379 IonicContact OE2-NH2 3.78Å; E144-R379 PolarHBondContact OE2-NH2 3.24Å; N375-R379 WeakPolarHBondContact O-CB 3.23Å; N375-R379 PolarHBondContact O-N 2.79Å; R379-F381 VanDerWaalsContact C-N 3.31Å; R379-F381 PolarHBondContact O-N 3.02Å; R379-K382 PolarHBondContact O-N 3.08Å; R379-M383 HydrophobicContact CG-SD 3.92Å; R379-M383 VanDerWaalsContact O-CG 3.28Å; R379-M383 WeakPolarHBondContact O-CG 3.39Å; R379-M383 PolarHBondContact O-N 3.1Å
380M89.9Confident90.2Very high23 Ų2346.5 Ų46.511%0.11324%0.244CC..Hα-helixtrans-61.6-40.2179.3-173.9174.66300112.1A376 I377 M383 T384 F395 Q398 M399 M402A376-M380 WeakPolarHBondContact O-CB 3.45Å; A376-M380 PolarHBondContact O-N 2.89Å; I377-M380 HydrophobicContact CD1-CE 3.33Å; I377-M380 PolarHBondContact O-N 2.95Å; M380-M383 PolarHBondContact O-N 3.29Å; M380-T384 PolarHBondContact O-N 2.8Å; M380-T384 PolarHBondContact O-OG1 2.87Å; M380-F395 HydrophobicContact CB-CE2 4.23Å; M380-F395 HydrophobicContact CE-CD2 3.75Å; M380-F395 HydrophobicContact CE-CE2 3.54Å; M380-F395 HydrophobicContact CE-CZ 4.31Å; M380-F395 HydrophobicContact CG-CD2 3.76Å; M380-F395 HydrophobicContact CG-CE2 3.86Å; M380-F395 HydrophobicContact SD-CD2 4.17Å; M380-F395 HydrophobicContact SD-CE2 4.37Å; M380-Q398 HydrophobicContact CE-CB 3.83Å; M380-Q398 HydrophobicContact SD-CB 3.27Å; M380-Q398 WeakPolarHBondContact SD-CB 3.38Å; M380-Q398 HydrophobicContact SD-CG 3.95Å; M380-M399 HydrophobicContact CE-CG 4.02Å; M380-M402 HydrophobicContact CE-SD 3.98Å
381F93.1Very high90Very high31 Ų3146.7 Ų46.714%0.13625%0.245CC..Hα-helixtrans-60.4-51.1175.2177.5-79.9000110.7I377 E378 R379 M383 T384 F386 F395 I421 L422 F426I377-F381 WeakPolarHBondContact O-CB 3.4Å; I377-F381 PolarHBondContact O-N 3.48Å; E378-F381 PolarHBondContact O-N 3.42Å; R379-F381 VanDerWaalsContact C-N 3.31Å; R379-F381 PolarHBondContact O-N 3.02Å; F381-M383 PolarHBondContact O-N 3.15Å; F381-T384 PolarHBondContact O-N 2.8Å; F381-F386 HydrophobicContact CD1-CE2 4.06Å; F381-F386 HydrophobicContact CD2-CE1 4.45Å; F381-F386 AromaticContact CD2-CE2 3.61Å; F381-F386 HydrophobicContact CD2-CE2 3.61Å; F381-F386 AromaticContact CD2-CZ 3.39Å; F381-F386 HydrophobicContact CD2-CZ 3.39Å; F381-F386 HydrophobicContact CE1-CE2 4.03Å; F381-F386 HydrophobicContact CE2-CD2 4.48Å; F381-F386 HydrophobicContact CE2-CE1 4.46Å; F381-F386 AromaticContact CE2-CE2 3.59Å; F381-F386 HydrophobicContact CE2-CE2 3.59Å; F381-F386 AromaticContact CE2-CZ 3.6Å; F381-F386 HydrophobicContact CE2-CZ 3.6Å; F381-F386 AromaticContact CG-CE2 3.85Å; F381-F386 HydrophobicContact CG-CE2 3.85Å; F381-F386 AromaticContact CG-CZ 3.95Å; F381-F386 HydrophobicContact CG-CZ 3.95Å; F381-F386 HydrophobicContact CZ-CD2 4.43Å; F381-F386 AromaticContact CZ-CE2 3.8Å; F381-F386 HydrophobicContact CZ-CE2 3.8Å; F381-F386 HydrophobicContact CZ-CZ 4.28Å; F381-F386 WeakPolarHBondContact O-CE2 3.44Å; F381-F395 HydrophobicContact CB-CE2 4.01Å; F381-F395 HydrophobicContact CB-CZ 4.08Å; F381-F395 HydrophobicContact CD2-CZ 4.1Å; F381-I421 HydrophobicContact CB-CG2 4.05Å; F381-I421 HydrophobicContact CD2-CB 3.9Å; F381-I421 HydrophobicContact CD2-CG2 3.88Å; F381-I421 HydrophobicContact CE2-CB 4.26Å; F381-I421 WeakPolarHBondContact CE2-O 3.28Å; F381-I421 HydrophobicContact CG-CG2 4.09Å; F381-L422 HydrophobicContact CD1-CD1 3.76Å; F381-L422 HydrophobicContact CE1-CB 4.45Å; F381-L422 HydrophobicContact CE1-CD1 4.33Å; F381-L422 HydrophobicContact CG-CD1 4.39Å; F381-F426 AromaticContact CD2-CE2 3.96Å; F381-F426 HydrophobicContact CD2-CE2 3.96Å; F381-F426 AromaticContact CD2-CZ 3.96Å; F381-F426 HydrophobicContact CD2-CZ 3.96Å; F381-F426 AromaticContact CE2-CE2 3.55Å; F381-F426 HydrophobicContact CE2-CE2 3.55Å; F381-F426 AromaticContact CE2-CZ 3.47Å; F381-F426 HydrophobicContact CE2-CZ 3.47Å; F381-F426 VanDerWaalsContact CE2-CZ 3.47Å
382K91.8Very high89.9Confident105 Ų10547.8 Ų47.846%0.45725%0.252SS..Hα-helixtrans-62-30.3-179.8-67.7179-168.91750112.9P145 E378 R379 L422P145-K382 HydrophobicContact CG-CB 4.35Å; P145-K382 HydrophobicContact CG-CD 3.73Å; E378-K382 WeakPolarHBondContact O-CG 3.37Å; E378-K382 PolarHBondContact O-N 3.08Å; R379-K382 PolarHBondContact O-N 3.08Å; K382-L422 HydrophobicContact CD-CD1 4.24Å; K382-L422 VanDerWaalsContact CE-CD1 3.45Å; K382-L422 HydrophobicContact CG-CD1 3.84Å
383M93.1Very high89.8Confident14 Ų1455.3 Ų55.37%0.06928%0.281CS..THydrogen-bonded Turntrans-83.2-7.3177.8-67.2-178.87500114.1K142 E144 R379 M380 F381K142-M383 PolarHBondContact N-O 2.95Å; K142-M383 WeakPolarHBondContact O-CE 3.42Å; E144-M383 HydrophobicContact CB-CE 4.22Å; E144-M383 HydrophobicContact CB-CG 4.21Å; E144-M383 HydrophobicContact CB-SD 3.85Å; E144-M383 HydrophobicContact CG-SD 4.25Å; R379-M383 HydrophobicContact CG-SD 3.92Å; R379-M383 VanDerWaalsContact O-CG 3.28Å; R379-M383 WeakPolarHBondContact O-CG 3.39Å; R379-M383 PolarHBondContact O-N 3.1Å; M380-M383 PolarHBondContact O-N 3.29Å; F381-M383 PolarHBondContact O-N 3.15Å
384T92.6Very high89.8Confident9 Ų954.9 Ų54.96%0.05527%0.273CS..SBendtrans-91138.9-177.9-62.30000111M380 F381 F386 A391 F395M380-T384 PolarHBondContact O-N 2.8Å; M380-T384 PolarHBondContact O-OG1 2.87Å; F381-T384 PolarHBondContact O-N 2.8Å; T384-F386 HydrophobicContact CG2-CD1 4.24Å; T384-F386 HydrophobicContact CG2-CD2 4.44Å; T384-F386 HydrophobicContact CG2-CE1 3.94Å; T384-F386 HydrophobicContact CG2-CE2 4.19Å; T384-F386 HydrophobicContact CG2-CG 4.45Å; T384-F386 HydrophobicContact CG2-CZ 3.92Å; T384-F386 PolarHBondContact O-N 3.26Å; T384-A391 HydrophobicContact CG2-CB 4.28Å; T384-F395 HydrophobicContact CG2-CB 3.91Å; T384-F395 HydrophobicContact CG2-CD2 4.43Å; T384-F395 HydrophobicContact CG2-CG 4.31Å; T384-F395 WeakPolarHBondContact OG1-CD2 3.46Å
385D89.7Confident89.9Confident47 Ų4754.5 Ų54.525%0.25127%0.268SS..  trans-91.495.6169.7-168.728.9000111.9K142 N387 S388 A391K142-D385 VanDerWaalsContact CE-OD1 3.27Å; K142-D385 WeakPolarHBondContact CE-OD1 3.44Å; K142-D385 IonicContact NZ-OD1 3.1Å; K142-D385 PolarHBondContact NZ-OD1 2.94Å; D385-N387 PolarHBondContact O-N 2.89Å; D385-N387 VanDerWaalsContact O-N 3.12Å; D385-S388 WeakPolarHBondContact O-CB 3.4Å; D385-S388 PolarHBondContact O-N 2.85Å; D385-A391 WeakPolarHBondContact O-CB 3.47Å
386F89.5Confident90Very high63 Ų6349.3 Ų49.328%0.27625%0.246SC..THydrogen-bonded Turntrans-68.1-8-178.7-68.3-76.2000114.8F381 T384 S388 V392 F395 F426F381-F386 HydrophobicContact CD1-CE2 4.06Å; F381-F386 HydrophobicContact CD2-CE1 4.45Å; F381-F386 AromaticContact CD2-CE2 3.61Å; F381-F386 HydrophobicContact CD2-CE2 3.61Å; F381-F386 AromaticContact CD2-CZ 3.39Å; F381-F386 HydrophobicContact CD2-CZ 3.39Å; F381-F386 HydrophobicContact CE1-CE2 4.03Å; F381-F386 HydrophobicContact CE2-CD2 4.48Å; F381-F386 HydrophobicContact CE2-CE1 4.46Å; F381-F386 AromaticContact CE2-CE2 3.59Å; F381-F386 HydrophobicContact CE2-CE2 3.59Å; F381-F386 AromaticContact CE2-CZ 3.6Å; F381-F386 HydrophobicContact CE2-CZ 3.6Å; F381-F386 AromaticContact CG-CE2 3.85Å; F381-F386 HydrophobicContact CG-CE2 3.85Å; F381-F386 AromaticContact CG-CZ 3.95Å; F381-F386 HydrophobicContact CG-CZ 3.95Å; F381-F386 HydrophobicContact CZ-CD2 4.43Å; F381-F386 AromaticContact CZ-CE2 3.8Å; F381-F386 HydrophobicContact CZ-CE2 3.8Å; F381-F386 HydrophobicContact CZ-CZ 4.28Å; F381-F386 WeakPolarHBondContact O-CE2 3.44Å; T384-F386 HydrophobicContact CG2-CD1 4.24Å; T384-F386 HydrophobicContact CG2-CD2 4.44Å; T384-F386 HydrophobicContact CG2-CE1 3.94Å; T384-F386 HydrophobicContact CG2-CE2 4.19Å; T384-F386 HydrophobicContact CG2-CG 4.45Å; T384-F386 HydrophobicContact CG2-CZ 3.92Å; T384-F386 PolarHBondContact O-N 3.26Å; F386-S388 VanDerWaalsContact C-N 3.27Å; F386-V392 HydrophobicContact CB-CG2 4.48Å; F386-V392 HydrophobicContact CD1-CG2 3.92Å; F386-F395 AromaticContact CE1-CD1 3.95Å; F386-F395 HydrophobicContact CE1-CD1 3.95Å; F386-F395 HydrophobicContact CE1-CE1 4.21Å; F386-F395 HydrophobicContact CE1-CG 4.3Å; F386-F395 HydrophobicContact CZ-CD1 4.21Å; F386-F395 HydrophobicContact CZ-CD2 4.48Å; F386-F395 HydrophobicContact CZ-CE1 4.17Å; F386-F395 HydrophobicContact CZ-CE2 4.47Å; F386-F395 HydrophobicContact CZ-CG 4.37Å; F386-F395 HydrophobicContact CZ-CZ 4.32Å; F386-F426 AromaticContact CD1-CE1 3.78Å; F386-F426 HydrophobicContact CD1-CE1 3.78Å; F386-F426 AromaticContact CD1-CZ 3.97Å; F386-F426 HydrophobicContact CD1-CZ 3.97Å; F386-F426 AromaticContact CE1-CE1 3.49Å; F386-F426 HydrophobicContact CE1-CE1 3.49Å; F386-F426 VanDerWaalsContact CE1-CE1 3.49Å; F386-F426 AromaticContact CE1-CZ 3.35Å; F386-F426 HydrophobicContact CE1-CZ 3.35Å; F386-F426 HydrophobicContact CZ-CE1 4.3Å; F386-F426 AromaticContact CZ-CZ 3.7Å; F386-F426 HydrophobicContact CZ-CZ 3.7Å
387N88.1Confident90.1Very high155 Ų15555.1 Ų55.183%0.82926%0.262SS*.THydrogen-bonded Turntrans-80.3-8.6169.6-64.9-38.7000113D385D385-N387 PolarHBondContact O-N 2.89Å; D385-N387 VanDerWaalsContact O-N 3.12Å
388S86.3Confident90.1Very high23 Ų2357.2 Ų57.216%0.16127%0.272CS..  trans-109.1107.1-179.7175.10000110D385 F386 P390 A391 V392D385-S388 WeakPolarHBondContact O-CB 3.4Å; D385-S388 PolarHBondContact O-N 2.85Å; F386-S388 VanDerWaalsContact C-N 3.27Å; S388-P390 VanDerWaalsContact C-CD 3.48Å; S388-P390 VanDerWaalsContact C-N 3.31Å; S388-P390 WeakPolarHBondContact OG-CD 3.33Å; S388-A391 WeakPolarHBondContact O-CA 3.43Å; S388-A391 WeakPolarHBondContact O-CB 3.28Å; S388-A391 PolarHBondContact O-N 3.46Å; S388-V392 WeakPolarHBondContact O-CG2 3.42Å; S388-V392 PolarHBondContact O-N 3.19Å
389D88.9Confident90Very high86 Ų8656 Ų5646%0.4627%0.266SS..Hα-helixtrans-50-43175.3166.569.9000113.3A391 V392 R393D389-A391 VanDerWaalsContact C-N 3.35Å; D389-A391 PolarHBondContact O-N 2.8Å; D389-V392 PolarHBondContact O-N 2.87Å; D389-R393 WeakPolarHBondContact O-CG 3.47Å; D389-R393 PolarHBondContact O-N 2.93Å; D389-R393 IonicContact OD1-CZ 2.87Å; D389-R393 IonicContact OD1-NE 3.11Å; D389-R393 PolarHBondContact OD1-NE 3.19Å; D389-R393 VanDerWaalsContact OD1-NE 3.1Å; D389-R393 IonicContact OD1-NH2 2.95Å; D389-R393 PolarHBondContact OD1-NH2 3.04Å; D389-R393 IonicContact OD2-CZ 3.44Å; D389-R393 IonicContact OD2-NE 3.65Å; D389-R393 PolarHBondContact OD2-NE 3.04Å; D389-R393 VanDerWaalsContact OD2-NE 3.13Å; D389-R393 IonicContact OD2-NH1 2.71Å; D389-R393 IonicContact OD2-NH2 3.05Å; D389-R393 PolarHBondContact OD2-NH2 3.14Å
390P89Confident90Very high32 Ų3257.9 Ų57.921%0.20827%0.273CS..Hα-helixtrans-59.2-39.2172.7-23.730.8000114.4D138 F139 S388 R394D138-P390 WeakPolarHBondContact OD1-CB 3.41Å; D138-P390 VanDerWaalsContact OD1-CG 3.28Å; D138-P390 WeakPolarHBondContact OD1-CG 2.88Å; D138-P390 WeakPolarHBondContact OD2-CG 3.34Å; F139-P390 HydrophobicContact CB-CB 4.23Å; F139-P390 HydrophobicContact CD1-CB 4.26Å; S388-P390 VanDerWaalsContact C-CD 3.48Å; S388-P390 VanDerWaalsContact C-N 3.31Å; S388-P390 WeakPolarHBondContact OG-CD 3.33Å; P390-R394 PolarHBondContact O-N 3.16Å; P390-R394 VanDerWaalsContact O-N 3.09Å
391A88.1Confident89.9Confident5 Ų561.5 Ų61.54%0.04130%0.301CS..Hα-helixtrans-68.9-39.7176.500000111.6F139 T384 D385 S388 D389 R394 F395F139-A391 HydrophobicContact CB-CB 4.13Å; T384-A391 HydrophobicContact CG2-CB 4.28Å; D385-A391 WeakPolarHBondContact O-CB 3.47Å; S388-A391 WeakPolarHBondContact O-CA 3.43Å; S388-A391 WeakPolarHBondContact O-CB 3.28Å; S388-A391 PolarHBondContact O-N 3.46Å; D389-A391 VanDerWaalsContact C-N 3.35Å; D389-A391 PolarHBondContact O-N 2.8Å; A391-R394 WeakPolarHBondContact O-CB 3.41Å; A391-R394 PolarHBondContact O-N 2.9Å; A391-F395 PolarHBondContact O-N 3.25Å
392V89.7Confident89.7Confident45 Ų4562.4 Ų62.427%0.27331%0.306SS..Hα-helixtrans-61.8-46.3175178.30000111.1F386 S388 D389 R394 F395 A396F386-V392 HydrophobicContact CB-CG2 4.48Å; F386-V392 HydrophobicContact CD1-CG2 3.92Å; S388-V392 WeakPolarHBondContact O-CG2 3.42Å; S388-V392 PolarHBondContact O-N 3.19Å; D389-V392 PolarHBondContact O-N 2.87Å; V392-R394 VanDerWaalsContact C-N 3.26Å; V392-R394 PolarHBondContact O-N 3.47Å; V392-F395 WeakPolarHBondContact O-CB 3.27Å; V392-F395 PolarHBondContact O-N 3.09Å; V392-F395 VanDerWaalsContact O-N 3.16Å; V392-A396 PolarHBondContact O-N 2.86Å
393R90.4Very high89.6Confident159 Ų15958.5 Ų58.560%0.630%0.295SS*.Hα-helixtrans-61.7-36.5176.1-69.8179.4-164.7177.14.2112.4D389 R397D389-R393 WeakPolarHBondContact O-CG 3.47Å; D389-R393 PolarHBondContact O-N 2.93Å; D389-R393 IonicContact OD1-CZ 2.87Å; D389-R393 IonicContact OD1-NE 3.11Å; D389-R393 PolarHBondContact OD1-NE 3.19Å; D389-R393 VanDerWaalsContact OD1-NE 3.1Å; D389-R393 IonicContact OD1-NH2 2.95Å; D389-R393 PolarHBondContact OD1-NH2 3.04Å; D389-R393 IonicContact OD2-CZ 3.44Å; D389-R393 IonicContact OD2-NE 3.65Å; D389-R393 PolarHBondContact OD2-NE 3.04Å; D389-R393 VanDerWaalsContact OD2-NE 3.13Å; D389-R393 IonicContact OD2-NH1 2.71Å; D389-R393 IonicContact OD2-NH2 3.05Å; D389-R393 PolarHBondContact OD2-NH2 3.14Å; R393-R397 PolarHBondContact O-N 3.32Å
394R88.4Confident89.5Confident26 Ų2657.8 Ų57.810%0.09829%0.292CS..Hα-helixtrans-65.2-46.4174.4175.8175.5176.1-100.8-0.2111.1E141 P390 A391 V392 A396 R397 Q398E141-R394 IonicContact OE1-CZ 2.88Å; E141-R394 IonicContact OE1-NH1 2.98Å; E141-R394 PolarHBondContact OE1-NH1 2.92Å; E141-R394 IonicContact OE1-NH2 3.61Å; E141-R394 PolarHBondContact OE1-NH2 2.8Å; P390-R394 PolarHBondContact O-N 3.16Å; P390-R394 VanDerWaalsContact O-N 3.09Å; A391-R394 WeakPolarHBondContact O-CB 3.41Å; A391-R394 PolarHBondContact O-N 2.9Å; V392-R394 VanDerWaalsContact C-N 3.26Å; V392-R394 PolarHBondContact O-N 3.47Å; R394-A396 VanDerWaalsContact C-N 3.34Å; R394-A396 PolarHBondContact O-N 3.33Å; R394-R397 PolarHBondContact O-N 2.84Å; R394-R397 VanDerWaalsContact O-N 3.14Å; R394-Q398 HydrophobicContact CG-CG 4.49Å; R394-Q398 WeakPolarHBondContact O-CG 3.38Å; R394-Q398 PolarHBondContact O-N 2.87Å
395F91.5Very high89.3Confident4 Ų458.4 Ų58.42%0.01830%0.295CS..Hα-helixtrans-55.9-48.7176.3179.4-102.9000111.3I377 M380 F381 T384 F386 A391 V392 R397 Q398 M399 I421 F426I377-F395 HydrophobicContact CD1-CE2 3.91Å; I377-F395 HydrophobicContact CD1-CZ 3.7Å; M380-F395 HydrophobicContact CB-CE2 4.23Å; M380-F395 HydrophobicContact CE-CD2 3.75Å; M380-F395 HydrophobicContact CE-CE2 3.54Å; M380-F395 HydrophobicContact CE-CZ 4.31Å; M380-F395 HydrophobicContact CG-CD2 3.76Å; M380-F395 HydrophobicContact CG-CE2 3.86Å; M380-F395 HydrophobicContact SD-CD2 4.17Å; M380-F395 HydrophobicContact SD-CE2 4.37Å; F381-F395 HydrophobicContact CB-CE2 4.01Å; F381-F395 HydrophobicContact CB-CZ 4.08Å; F381-F395 HydrophobicContact CD2-CZ 4.1Å; T384-F395 HydrophobicContact CG2-CB 3.91Å; T384-F395 HydrophobicContact CG2-CD2 4.43Å; T384-F395 HydrophobicContact CG2-CG 4.31Å; T384-F395 WeakPolarHBondContact OG1-CD2 3.46Å; F386-F395 AromaticContact CE1-CD1 3.95Å; F386-F395 HydrophobicContact CE1-CD1 3.95Å; F386-F395 HydrophobicContact CE1-CE1 4.21Å; F386-F395 HydrophobicContact CE1-CG 4.3Å; F386-F395 HydrophobicContact CZ-CD1 4.21Å; F386-F395 HydrophobicContact CZ-CD2 4.48Å; F386-F395 HydrophobicContact CZ-CE1 4.17Å; F386-F395 HydrophobicContact CZ-CE2 4.47Å; F386-F395 HydrophobicContact CZ-CG 4.37Å; F386-F395 HydrophobicContact CZ-CZ 4.32Å; A391-F395 PolarHBondContact O-N 3.25Å; V392-F395 WeakPolarHBondContact O-CB 3.27Å; V392-F395 PolarHBondContact O-N 3.09Å; V392-F395 VanDerWaalsContact O-N 3.16Å; F395-R397 VanDerWaalsContact C-N 3.33Å; F395-R397 PolarHBondContact O-N 2.95Å; F395-Q398 WeakPolarHBondContact O-CB 3.37Å; F395-Q398 PolarHBondContact O-N 2.83Å; F395-M399 HydrophobicContact CD1-CG 4.44Å; F395-M399 HydrophobicContact CD1-SD 3.9Å; F395-M399 HydrophobicContact CE1-CG 4.11Å; F395-M399 HydrophobicContact CE1-SD 3.33Å; F395-M399 WeakPolarHBondContact CE1-SD 3.45Å; F395-M399 HydrophobicContact CZ-CG 4.23Å; F395-M399 HydrophobicContact CZ-SD 3.85Å; F395-M399 PolarHBondContact O-N 3.48Å; F395-I421 HydrophobicContact CE1-CD1 4.03Å; F395-I421 HydrophobicContact CZ-CD1 3.81Å; F395-F426 HydrophobicContact CE1-CE2 4.42Å; F395-F426 HydrophobicContact CE1-CZ 4.29Å
396A90.2Very high89.3Confident36 Ų3659.9 Ų59.930%0.29830%0.303SS..Hα-helixtrans-59.9-38.3175.400000113.1V392 R394 Q398 R400V392-A396 PolarHBondContact O-N 2.86Å; R394-A396 VanDerWaalsContact C-N 3.34Å; R394-A396 PolarHBondContact O-N 3.33Å; A396-Q398 VanDerWaalsContact C-N 3.34Å; A396-R400 PolarHBondContact O-N 2.66Å; A396-R400 VanDerWaalsContact O-N 3.14Å
397R90Very high89.4Confident149 Ų14957.8 Ų57.856%0.56230%0.297SS*.Hα-helixtrans-67-35.6174.1-175.5173.763.3-132.4-3112.2R393 R394 F395 S401R393-R397 PolarHBondContact O-N 3.32Å; R394-R397 PolarHBondContact O-N 2.84Å; R394-R397 VanDerWaalsContact O-N 3.14Å; F395-R397 VanDerWaalsContact C-N 3.33Å; F395-R397 PolarHBondContact O-N 2.95Å; R397-S401 PolarHBondContact O-N 3.17Å; R397-S401 VanDerWaalsContact O-N 3.08Å
398Q90Very high89.5Confident46 Ų4650.5 Ų50.522%0.21526%0.258CS..Hα-helixtrans-70.8-40.6177.1-69.2178.9-86.200111.5M380 R394 F395 A396 R400 S401 M402M380-Q398 HydrophobicContact CE-CB 3.83Å; M380-Q398 HydrophobicContact SD-CB 3.27Å; M380-Q398 WeakPolarHBondContact SD-CB 3.38Å; M380-Q398 HydrophobicContact SD-CG 3.95Å; R394-Q398 HydrophobicContact CG-CG 4.49Å; R394-Q398 WeakPolarHBondContact O-CG 3.38Å; R394-Q398 PolarHBondContact O-N 2.87Å; F395-Q398 WeakPolarHBondContact O-CB 3.37Å; F395-Q398 PolarHBondContact O-N 2.83Å; A396-Q398 VanDerWaalsContact C-N 3.34Å; Q398-R400 VanDerWaalsContact C-N 3.32Å; Q398-R400 PolarHBondContact O-N 2.78Å; Q398-S401 WeakPolarHBondContact CA-OG 3.47Å; Q398-S401 PolarHBondContact O-N 2.76Å; Q398-S401 PolarHBondContact O-OG 3.24Å; Q398-M402 WeakPolarHBondContact O-CG 3.48Å; Q398-M402 PolarHBondContact O-N 2.87Å
399M90.2Very high89.7Confident18 Ų1854.6 Ų54.69%0.08927%0.27CS..Hα-helixtrans-55.2-46.8171.5-73.7-177.159.900112.1I377 M380 F395 S401 M402 G403 I404 I421I377-M399 HydrophobicContact CD1-CG 3.73Å; I377-M399 HydrophobicContact CD1-SD 4.32Å; M380-M399 HydrophobicContact CE-CG 4.02Å; F395-M399 HydrophobicContact CD1-CG 4.44Å; F395-M399 HydrophobicContact CD1-SD 3.9Å; F395-M399 HydrophobicContact CE1-CG 4.11Å; F395-M399 HydrophobicContact CE1-SD 3.33Å; F395-M399 WeakPolarHBondContact CE1-SD 3.45Å; F395-M399 HydrophobicContact CZ-CG 4.23Å; F395-M399 HydrophobicContact CZ-SD 3.85Å; F395-M399 PolarHBondContact O-N 3.48Å; M399-S401 VanDerWaalsContact C-N 3.33Å; M399-S401 PolarHBondContact O-N 2.99Å; M399-M402 WeakPolarHBondContact O-CB 3.16Å; M399-M402 PolarHBondContact O-N 3.29Å; M399-M402 VanDerWaalsContact O-N 3.08Å; M399-G403 PolarHBondContact O-N 2.61Å; M399-I404 HydrophobicContact CB-CB 4.49Å; M399-I404 HydrophobicContact CB-CD1 4.47Å; M399-I404 HydrophobicContact CE-CB 4.39Å; M399-I404 HydrophobicContact CE-CG2 3.77Å; M399-I404 HydrophobicContact CG-CD1 4.32Å; M399-I404 PolarHBondContact O-N 3.24Å; M399-I421 HydrophobicContact CE-CD1 4.02Å; M399-I421 HydrophobicContact SD-CD1 3.94Å
400R89.2Confident89.8Confident140 Ų14058.7 Ų58.753%0.52829%0.287SS..Hα-helixtrans-56.2-44.7172.3-77.8-175.3-78.8-176.2-8.3112.8A396 Q398 M402 G403 D405A396-R400 PolarHBondContact O-N 2.66Å; A396-R400 VanDerWaalsContact O-N 3.14Å; Q398-R400 VanDerWaalsContact C-N 3.32Å; Q398-R400 PolarHBondContact O-N 2.78Å; R400-M402 PolarHBondContact O-N 3.3Å; R400-G403 PolarHBondContact O-N 3.18Å; R400-D405 HydrophobicContact CG-CB 4.05Å; R400-D405 WeakPolarHBondContact CG-OD2 3.15Å
401S88.2Confident89.9Confident99 Ų9963.8 Ų63.869%0.69230%0.302SS*.Hα-helixtrans-66.8-22178.768.60000114.1R397 Q398 M399 G403R397-S401 PolarHBondContact O-N 3.17Å; R397-S401 VanDerWaalsContact O-N 3.08Å; Q398-S401 WeakPolarHBondContact CA-OG 3.47Å; Q398-S401 PolarHBondContact O-N 2.76Å; Q398-S401 PolarHBondContact O-OG 3.24Å; M399-S401 VanDerWaalsContact C-N 3.33Å; M399-S401 PolarHBondContact O-N 2.99Å; S401-G403 VanDerWaalsContact C-N 3.32Å
402M88.8Confident89.9Confident49 Ų4965.3 Ų65.324%0.24132%0.318CS..THydrogen-bonded Turntrans-84.2-5.8173.1-66.5175.275.800112.8D358 F360 A376 I377 M380 Q398 M399 R400 I404D358-M402 HydrophobicContact CB-CE 4.35Å; F360-M402 WeakPolarHBondContact CE1-O 3.45Å; A376-M402 HydrophobicContact CB-CE 3.89Å; I377-M402 HydrophobicContact CB-CE 4.35Å; M380-M402 HydrophobicContact CE-SD 3.98Å; Q398-M402 WeakPolarHBondContact O-CG 3.48Å; Q398-M402 PolarHBondContact O-N 2.87Å; M399-M402 WeakPolarHBondContact O-CB 3.16Å; M399-M402 PolarHBondContact O-N 3.29Å; M399-M402 VanDerWaalsContact O-N 3.08Å; R400-M402 PolarHBondContact O-N 3.3Å; M402-I404 VanDerWaalsContact C-N 3.29Å; M402-I404 HydrophobicContact CB-CD1 4.06Å; M402-I404 HydrophobicContact CB-CG1 3.99Å; M402-I404 HydrophobicContact CE-CD1 4.26Å; M402-I404 PolarHBondContact O-N 3.37Å; M402-I404 HydrophobicContact SD-CD1 4.05Å
403G90.1Very high89.8Confident23 Ų2363.4 Ų63.424%0.23731%0.307CS..THydrogen-bonded Turntrans75.113.9-176.100000114.3M399 R400 S401 D406 A407M399-G403 PolarHBondContact O-N 2.61Å; R400-G403 PolarHBondContact O-N 3.18Å; S401-G403 VanDerWaalsContact C-N 3.32Å; G403-D406 PolarHBondContact O-N 3.23Å; G403-A407 WeakPolarHBondContact O-CB 3.3Å; G403-A407 PolarHBondContact O-N 2.95Å
404I89.9Confident89.7Confident0 Ų062.7 Ų62.70%031%0.308CS..Hα-helixtrans-65.6-43.1-179-64.1170.6000110.4F360 V372 I377 M399 M402 D406 A407 L408F360-I404 HydrophobicContact CD1-CD1 4.46Å; F360-I404 HydrophobicContact CD1-CG1 3.8Å; F360-I404 HydrophobicContact CD2-CG1 4.09Å; F360-I404 HydrophobicContact CE1-CG1 3.78Å; F360-I404 HydrophobicContact CE2-CB 4.5Å; F360-I404 HydrophobicContact CE2-CG1 4.08Å; F360-I404 HydrophobicContact CG-CD1 4.49Å; F360-I404 HydrophobicContact CG-CG1 3.96Å; F360-I404 HydrophobicContact CZ-CB 4.45Å; F360-I404 HydrophobicContact CZ-CG1 3.92Å; V372-I404 HydrophobicContact CG1-CD1 4.42Å; V372-I404 HydrophobicContact CG1-CG2 4.05Å; V372-I404 HydrophobicContact CG2-CG2 4.16Å; I377-I404 HydrophobicContact CB-CD1 4.14Å; I377-I404 HydrophobicContact CD1-CD1 3.81Å; I377-I404 HydrophobicContact CG1-CD1 3.89Å; M399-I404 HydrophobicContact CB-CB 4.49Å; M399-I404 HydrophobicContact CB-CD1 4.47Å; M399-I404 HydrophobicContact CE-CB 4.39Å; M399-I404 HydrophobicContact CE-CG2 3.77Å; M399-I404 HydrophobicContact CG-CD1 4.32Å; M399-I404 PolarHBondContact O-N 3.24Å; M402-I404 VanDerWaalsContact C-N 3.29Å; M402-I404 HydrophobicContact CB-CD1 4.06Å; M402-I404 HydrophobicContact CB-CG1 3.99Å; M402-I404 HydrophobicContact CE-CD1 4.26Å; M402-I404 PolarHBondContact O-N 3.37Å; M402-I404 HydrophobicContact SD-CD1 4.05Å; I404-D406 VanDerWaalsContact C-N 3.32Å; I404-D406 PolarHBondContact O-N 3.31Å; I404-A407 PolarHBondContact O-N 3.06Å; I404-L408 HydrophobicContact CG2-CD1 3.95Å; I404-L408 HydrophobicContact CG2-CG 4.32Å; I404-L408 WeakPolarHBondContact O-CB 3.3Å; I404-L408 WeakPolarHBondContact O-CG 3.15Å; I404-L408 PolarHBondContact O-N 3.28Å
405D89.3Confident89.7Confident22 Ų2265.6 Ų65.612%0.11833%0.325CS..Hα-helixtrans-61.6-40.4178.5-64.736.4000112R400 L408 R409 F428R400-D405 HydrophobicContact CG-CB 4.05Å; R400-D405 WeakPolarHBondContact CG-OD2 3.15Å; D405-L408 PolarHBondContact O-N 2.85Å; D405-R409 WeakPolarHBondContact O-CG 3.28Å; D405-R409 PolarHBondContact O-N 2.8Å; D405-F428 HydrophobicContact CB-CE2 4.23Å
406D90.3Very high89.4Confident77 Ų7767 Ų6741%0.41234%0.341SS..Hα-helixtrans-67.5-43.5177-63.6-30.1000110.5G403 I404 L408 R409 E410G403-D406 PolarHBondContact O-N 3.23Å; I404-D406 VanDerWaalsContact C-N 3.32Å; I404-D406 PolarHBondContact O-N 3.31Å; D406-L408 VanDerWaalsContact C-N 3.34Å; D406-L408 PolarHBondContact O-N 3.28Å; D406-R409 PolarHBondContact O-N 3.16Å; D406-R409 IonicContact OD1-CZ 3.26Å; D406-R409 IonicContact OD1-NH1 2.87Å; D406-R409 PolarHBondContact OD1-NH1 2.82Å; D406-R409 IonicContact OD1-NH2 2.76Å; D406-R409 PolarHBondContact OD1-NH2 2.98Å; D406-E410 WeakPolarHBondContact O-CG 3.46Å; D406-E410 PolarHBondContact O-N 3.37Å
407A90.6Very high89.4Confident20 Ų2067.7 Ų67.717%0.16534%0.34CS..Hα-helixtrans-65.3-33.9176.400000113.4F360 I362 G403 I404 R411F360-A407 HydrophobicContact CE2-CB 3.61Å; F360-A407 HydrophobicContact CZ-CB 3.69Å; I362-A407 HydrophobicContact CD1-CB 3.81Å; G403-A407 WeakPolarHBondContact O-CB 3.3Å; G403-A407 PolarHBondContact O-N 2.95Å; I404-A407 PolarHBondContact O-N 3.06Å; A407-R411 PolarHBondContact O-N 2.96Å
408L91.2Very high89.4Confident1 Ų164.1 Ų64.11%0.00533%0.331CS..Hα-helixtrans-64.9-45.8171.5-80168.6000110.7I362 Y370 V372 I404 D405 D406 E410 R411 G412 C413 V419 F428I362-L408 HydrophobicContact CD1-CD2 3.92Å; I362-L408 HydrophobicContact CD1-CG 3.88Å; I362-L408 HydrophobicContact CG2-CD2 3.78Å; Y370-L408 HydrophobicContact CD1-CD2 3.94Å; Y370-L408 HydrophobicContact CG-CD2 3.91Å; V372-L408 HydrophobicContact CG2-CD2 4.29Å; I404-L408 HydrophobicContact CG2-CD1 3.95Å; I404-L408 HydrophobicContact CG2-CG 4.32Å; I404-L408 WeakPolarHBondContact O-CB 3.3Å; I404-L408 WeakPolarHBondContact O-CG 3.15Å; I404-L408 PolarHBondContact O-N 3.28Å; D405-L408 PolarHBondContact O-N 2.85Å; D406-L408 VanDerWaalsContact C-N 3.34Å; D406-L408 PolarHBondContact O-N 3.28Å; L408-E410 PolarHBondContact O-N 3.06Å; L408-R411 CarbonylContact O-C 3.51Å; L408-R411 PolarHBondContact O-N 3.15Å; L408-R411 VanDerWaalsContact O-N 3.09Å; L408-G412 PolarHBondContact O-N 3.4Å; L408-C413 HydrophobicContact CB-CB 3.83Å; L408-C413 HydrophobicContact CD2-CB 4.31Å; L408-C413 WeakPolarHBondContact O-CB 3.48Å; L408-C413 PolarHBondContact O-N 3.09Å; L408-V419 HydrophobicContact CD1-CG1 4.15Å; L408-V419 HydrophobicContact CD1-CG2 4Å; L408-V419 HydrophobicContact CD2-CG2 4.32Å; L408-F428 HydrophobicContact CB-CE2 4.37Å; L408-F428 HydrophobicContact CD1-CD2 4.1Å; L408-F428 HydrophobicContact CD1-CE2 4.15Å
409R90.3Very high89.5Confident110 Ų11062.2 Ų62.242%0.41532%0.322SS..Hα-helixtrans-61.4-42.2176.5-76.6-172.1-111.5112.87.2112.1D405 D406 R411 G412 F428D405-R409 WeakPolarHBondContact O-CG 3.28Å; D405-R409 PolarHBondContact O-N 2.8Å; D406-R409 PolarHBondContact O-N 3.16Å; D406-R409 IonicContact OD1-CZ 3.26Å; D406-R409 IonicContact OD1-NH1 2.87Å; D406-R409 PolarHBondContact OD1-NH1 2.82Å; D406-R409 IonicContact OD1-NH2 2.76Å; D406-R409 PolarHBondContact OD1-NH2 2.98Å; R409-R411 PolarHBondContact O-N 3.48Å; R409-G412 WeakPolarHBondContact O-CA 3.46Å; R409-G412 PolarHBondContact O-N 2.93Å; R409-F428 HydrophobicContact CG-CE1 4.17Å; R409-F428 HydrophobicContact CG-CZ 3.91Å
410E90.3Very high89.5Confident172 Ų17263.5 Ų63.580%0.80433%0.326SS*.Hα-helixtrans-60.6-29.4174.6-74.2179.1-177.600112.9D406 L408 G412D406-E410 WeakPolarHBondContact O-CG 3.46Å; D406-E410 PolarHBondContact O-N 3.37Å; L408-E410 PolarHBondContact O-N 3.06Å; E410-G412 VanDerWaalsContact C-N 3.28Å
411R90.4Very high89.6Confident138 Ų13856.8 Ų56.852%0.52130%0.301SS..THydrogen-bonded Turntrans-86.76.3173.7-70.9-168.8169.6132.421.4114.2I362 Y370 A407 L408 R409I362-R411 VanDerWaalsContact N-NH1 3.19Å; I362-R411 PolarHBondContact O-NH1 3.38Å; Y370-R411 HydrophobicContact CE1-CB 4.07Å; Y370-R411 PolarHBondContact OH-O 3.36Å; A407-R411 PolarHBondContact O-N 2.96Å; L408-R411 CarbonylContact O-C 3.51Å; L408-R411 PolarHBondContact O-N 3.15Å; L408-R411 VanDerWaalsContact O-N 3.09Å; R409-R411 PolarHBondContact O-N 3.48Å
412G88.2Confident89.5Confident38 Ų3855.8 Ų55.839%0.39229%0.287SS..THydrogen-bonded Turntrans82.321.2176.100000114.5Y370 L408 R409 E410Y370-G412 PolarHBondContact OH-O 2.88Å; Y370-G412 VanDerWaalsContact OH-O 3.08Å; L408-G412 PolarHBondContact O-N 3.4Å; R409-G412 WeakPolarHBondContact O-CA 3.46Å; R409-G412 PolarHBondContact O-N 2.93Å; E410-G412 VanDerWaalsContact C-N 3.28Å
413C88.8Confident89.2Confident5 Ų557.3 Ų57.33%0.03432%0.315CS..  trans-67128.4171.7-170.40000109.4Y370 L408 D417Y370-C413 HydrophobicContact CD2-CB 4.13Å; Y370-C413 HydrophobicContact CE1-CB 4.1Å; Y370-C413 HydrophobicContact CE2-CB 3.67Å; Y370-C413 VanDerWaalsContact OH-CA 3.27Å; Y370-C413 WeakPolarHBondContact OH-CA 3.4Å; Y370-C413 PolarHBondContact OH-N 2.94Å; L408-C413 HydrophobicContact CB-CB 3.83Å; L408-C413 HydrophobicContact CD2-CB 4.31Å; L408-C413 WeakPolarHBondContact O-CB 3.48Å; L408-C413 PolarHBondContact O-N 3.09Å; C413-D417 WeakPolarHBondContact CA-OD2 3.44Å
414K88.3Confident89Confident143 Ų14356.9 Ų56.962%0.62231%0.311SS*.  trans-113.8161.6-177.2-63.1-179.6-176.1177.50110.6G416 D417K414-G416 PolarHBondContact O-N 3.25Å; K414-D417 PolarHBondContact N-OD2 3.12Å; K414-D417 VanDerWaalsContact O-CB 3.28Å; K414-D417 WeakPolarHBondContact O-CB 3.27Å; K414-D417 PolarHBondContact O-N 2.96Å
415N87.4Confident88.9Confident87 Ų8762.3 Ų62.347%0.46534%0.337SS..THydrogen-bonded Turntrans-53.4125171-173.480.4000111.1F428 V429 E430N415-F428 CarbonylContact C-O 3.49Å; N415-F428 WeakPolarHBondContact CA-O 3.48Å; N415-V429 WeakPolarHBondContact OD1-CA 3.49Å; N415-E430 HydrophobicContact CB-CB 4.49Å; N415-E430 HydrophobicContact CB-CG 4.08Å; N415-E430 PolarHBondContact OD1-N 3.34Å
416G86.2Confident88.9Confident33 Ų3364 Ų6434%0.3434%0.343SS..THydrogen-bonded Turntrans97-10.6-175.800000115.1K414 E427 F428K414-G416 PolarHBondContact O-N 3.25Å; G416-E427 WeakPolarHBondContact CA-OE1 3.12Å; G416-F428 PolarHBondContact N-O 3.14Å
417D89.7Confident88.8Confident52 Ų5266.5 Ų66.528%0.27835%0.352SS..  trans-70.7146.4176.5-73-10.1000111Y370 C413 K414 F428Y370-D417 HydrophobicContact CD2-CB 4.33Å; Y370-D417 HydrophobicContact CE2-CB 4.09Å; Y370-D417 WeakPolarHBondContact CE2-OD2 3.4Å; C413-D417 WeakPolarHBondContact CA-OD2 3.44Å; K414-D417 PolarHBondContact N-OD2 3.12Å; K414-D417 VanDerWaalsContact O-CB 3.28Å; K414-D417 WeakPolarHBondContact O-CB 3.27Å; K414-D417 PolarHBondContact O-N 2.96Å; D417-F428 PolarHBondContact O-N 3.49Å
418I90.5Very high88.6Confident74 Ų7466.2 Ų66.238%0.37935%0.347SS..EExtended strand (participates in β ladder)trans-85.2129179.7-59.1173.5000109.9A369 Y370 E425 F426A369-I418 WeakPolarHBondContact CA-O 3.37Å; A369-I418 HydrophobicContact CB-CB 4.15Å; A369-I418 HydrophobicContact CB-CG2 4.1Å; Y370-I418 PolarHBondContact N-O 2.96Å; I418-E425 HydrophobicContact CG2-CB 4.16Å; I418-E425 HydrophobicContact CG2-CG 4.27Å; I418-F426 CarbonylContact C-O 3.49Å; I418-F426 WeakPolarHBondContact CA-O 3.15Å
419V90.6Very high88.1Confident5 Ų571 Ų713%0.0338%0.376CS..EExtended strand (participates in β ladder)trans-115.1122.2173.5-175.80000109.2Y370 V372 L408 F426 F428Y370-V419 CarbonylContact O-C 2.97Å; Y370-V419 VanDerWaalsContact O-CA 3.31Å; Y370-V419 WeakPolarHBondContact O-CA 3.45Å; V372-V419 HydrophobicContact CG2-CG1 3.71Å; L408-V419 HydrophobicContact CD1-CG1 4.15Å; L408-V419 HydrophobicContact CD1-CG2 4Å; L408-V419 HydrophobicContact CD2-CG2 4.32Å; V419-F426 PolarHBondContact N-O 3.1Å; V419-F426 PolarHBondContact O-N 3.13Å; V419-F428 HydrophobicContact CG2-CB 4.04Å; V419-F428 HydrophobicContact CG2-CD2 4.45Å
420R91.6Very high87Confident45 Ų4574.2 Ų74.217%0.1740%0.396CS..EExtended strand (participates in β ladder)trans-100.6134.6177.9-79.2177.1-179.4141.410.2111.4D365 D367 A369 Y370 V371 V372 G424 E425D365-R420 WeakPolarHBondContact OD2-CD 3.21Å; D365-R420 IonicContact OD2-CZ 2.66Å; D365-R420 IonicContact OD2-NH1 2.62Å; D365-R420 PolarHBondContact OD2-NH1 2.88Å; D367-R420 VanDerWaalsContact CG-NH1 3.34Å; D367-R420 IonicContact OD1-CZ 3.06Å; D367-R420 IonicContact OD1-NH1 3.74Å; D367-R420 PolarHBondContact OD1-NH1 2.79Å; D367-R420 IonicContact OD2-CZ 2.64Å; D367-R420 IonicContact OD2-NH1 3.53Å; D367-R420 PolarHBondContact OD2-NH1 2.94Å; D367-R420 IonicContact OD2-NH2 3.72Å; D367-R420 PolarHBondContact OD2-NH2 3.45Å; A369-R420 HydrophobicContact CB-CG 4.47Å; Y370-R420 PolarHBondContact O-N 2.98Å; V371-R420 WeakPolarHBondContact CA-O 3.21Å; V371-R420 HydrophobicContact CG2-CB 4.13Å; V372-R420 PolarHBondContact N-O 3.03Å; R420-G424 VanDerWaalsContact CA-O 3.29Å; R420-G424 WeakPolarHBondContact CA-O 3.43Å; R420-E425 HydrophobicContact CG-CG 3.86Å; R420-E425 IonicContact CZ-OE1 3.34Å; R420-E425 VanDerWaalsContact CZ-OE1 3.26Å; R420-E425 IonicContact NE-OE1 3.13Å; R420-E425 PolarHBondContact NE-OE1 2.66Å; R420-E425 IonicContact NH2-OE1 3.79Å; R420-E425 PolarHBondContact NH2-OE1 3.34Å
421I90Very high86.8Confident0 Ų069.3 Ų69.30%038%0.375CS..EExtended strand (participates in β ladder)trans-134.2115.9170.4-52.1178000106.9V372 I377 F381 F395 M399 G423 G424 F426V372-I421 HydrophobicContact CB-CG1 4.22Å; I377-I421 HydrophobicContact CD1-CD1 4.11Å; I377-I421 HydrophobicContact CG1-CD1 4.02Å; I377-I421 HydrophobicContact CG1-CG2 4.17Å; F381-I421 HydrophobicContact CB-CG2 4.05Å; F381-I421 HydrophobicContact CD2-CB 3.9Å; F381-I421 HydrophobicContact CD2-CG2 3.88Å; F381-I421 HydrophobicContact CE2-CB 4.26Å; F381-I421 WeakPolarHBondContact CE2-O 3.28Å; F381-I421 HydrophobicContact CG-CG2 4.09Å; F395-I421 HydrophobicContact CE1-CD1 4.03Å; F395-I421 HydrophobicContact CZ-CD1 3.81Å; M399-I421 HydrophobicContact CE-CD1 4.02Å; M399-I421 HydrophobicContact SD-CD1 3.94Å; I421-G423 PolarHBondContact O-N 2.87Å; I421-G423 VanDerWaalsContact O-N 3.11Å; I421-G424 PolarHBondContact N-O 2.86Å; I421-G424 PolarHBondContact O-N 3.38Å; I421-F426 HydrophobicContact CB-CE2 4.35Å; I421-F426 HydrophobicContact CD1-CD2 4.42Å; I421-F426 HydrophobicContact CD1-CE2 4.19Å; I421-F426 HydrophobicContact CG1-CD2 4.48Å; I421-F426 HydrophobicContact CG1-CE2 4.31Å
422L87.7Confident86.6Confident77 Ų7765.7 Ų65.740%0.40337%0.368SS..THydrogen-bonded Turntrans52.8-114.7-169.3-60.8167.6000110.5E378 F381 K382E378-L422 HydrophobicContact CB-CD1 4.03Å; E378-L422 HydrophobicContact CB-CD2 4.3Å; E378-L422 HydrophobicContact CB-CG 4.27Å; E378-L422 HydrophobicContact CG-CD1 4.2Å; E378-L422 HydrophobicContact CG-CD2 3.8Å; E378-L422 HydrophobicContact CG-CG 3.88Å; F381-L422 HydrophobicContact CD1-CD1 3.76Å; F381-L422 HydrophobicContact CE1-CB 4.45Å; F381-L422 HydrophobicContact CE1-CD1 4.33Å; F381-L422 HydrophobicContact CG-CD1 4.39Å; K382-L422 HydrophobicContact CD-CD1 4.24Å; K382-L422 VanDerWaalsContact CE-CD1 3.45Å; K382-L422 HydrophobicContact CG-CD1 3.84Å
423G81.8Confident86.5Confident81 Ų8167.2 Ų67.284%0.83537%0.366SS*.THydrogen-bonded Turntrans-104.68.9176.600000114.7I421I421-G423 PolarHBondContact O-N 2.87Å; I421-G423 VanDerWaalsContact O-N 3.11Å
424G85.2Confident86.4Confident14 Ų1470.9 Ų70.914%0.14439%0.386CS..EExtended strand (participates in β ladder)trans-95.7140.5176.700000111.9R420 I421R420-G424 VanDerWaalsContact CA-O 3.29Å; R420-G424 WeakPolarHBondContact CA-O 3.43Å; I421-G424 PolarHBondContact N-O 2.86Å; I421-G424 PolarHBondContact O-N 3.38Å
425E88.9Confident86.3Confident115 Ų11566.4 Ų66.454%0.53737%0.371SS..EExtended strand (participates in β ladder)trans-111.2133.2172.9-66.5-172.8161.500109.9I418 R420I418-E425 HydrophobicContact CG2-CB 4.16Å; I418-E425 HydrophobicContact CG2-CG 4.27Å; R420-E425 HydrophobicContact CG-CG 3.86Å; R420-E425 IonicContact CZ-OE1 3.34Å; R420-E425 VanDerWaalsContact CZ-OE1 3.26Å; R420-E425 IonicContact NE-OE1 3.13Å; R420-E425 PolarHBondContact NE-OE1 2.66Å; R420-E425 IonicContact NH2-OE1 3.79Å; R420-E425 PolarHBondContact NH2-OE1 3.34Å
426F89Confident86.2Confident56 Ų5665 Ų6525%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-128.6144.1177.3-55.4-80.1000109.7F381 F386 F395 I418 V419 I421F381-F426 AromaticContact CD2-CE2 3.96Å; F381-F426 HydrophobicContact CD2-CE2 3.96Å; F381-F426 AromaticContact CD2-CZ 3.96Å; F381-F426 HydrophobicContact CD2-CZ 3.96Å; F381-F426 AromaticContact CE2-CE2 3.55Å; F381-F426 HydrophobicContact CE2-CE2 3.55Å; F381-F426 AromaticContact CE2-CZ 3.47Å; F381-F426 HydrophobicContact CE2-CZ 3.47Å; F381-F426 VanDerWaalsContact CE2-CZ 3.47Å; F386-F426 AromaticContact CD1-CE1 3.78Å; F386-F426 HydrophobicContact CD1-CE1 3.78Å; F386-F426 AromaticContact CD1-CZ 3.97Å; F386-F426 HydrophobicContact CD1-CZ 3.97Å; F386-F426 AromaticContact CE1-CE1 3.49Å; F386-F426 HydrophobicContact CE1-CE1 3.49Å; F386-F426 VanDerWaalsContact CE1-CE1 3.49Å; F386-F426 AromaticContact CE1-CZ 3.35Å; F386-F426 HydrophobicContact CE1-CZ 3.35Å; F386-F426 HydrophobicContact CZ-CE1 4.3Å; F386-F426 AromaticContact CZ-CZ 3.7Å; F386-F426 HydrophobicContact CZ-CZ 3.7Å; F395-F426 HydrophobicContact CE1-CE2 4.42Å; F395-F426 HydrophobicContact CE1-CZ 4.29Å; I418-F426 CarbonylContact C-O 3.49Å; I418-F426 WeakPolarHBondContact CA-O 3.15Å; V419-F426 PolarHBondContact N-O 3.1Å; V419-F426 PolarHBondContact O-N 3.13Å; I421-F426 HydrophobicContact CB-CE2 4.35Å; I421-F426 HydrophobicContact CD1-CD2 4.42Å; I421-F426 HydrophobicContact CD1-CE2 4.19Å; I421-F426 HydrophobicContact CG1-CD2 4.48Å; I421-F426 HydrophobicContact CG1-CE2 4.31Å
427E87.5Confident86.2Confident130 Ų13067.3 Ų67.361%0.60737%0.367SS*.EExtended strand (participates in β ladder)trans-83.4127.8167.1-169.2178167.900108.7G416 V429G416-E427 WeakPolarHBondContact CA-OE1 3.12Å; E427-V429 PolarHBondContact O-N 3.47Å
428F86.2Confident86Confident15 Ų1568.5 Ų68.57%0.06637%0.374CS..  trans-70.4119172.3-172.2-101.4000108.9D405 L408 R409 N415 G416 D417 V419 E430D405-F428 HydrophobicContact CB-CE2 4.23Å; L408-F428 HydrophobicContact CB-CE2 4.37Å; L408-F428 HydrophobicContact CD1-CD2 4.1Å; L408-F428 HydrophobicContact CD1-CE2 4.15Å; R409-F428 HydrophobicContact CG-CE1 4.17Å; R409-F428 HydrophobicContact CG-CZ 3.91Å; N415-F428 CarbonylContact C-O 3.49Å; N415-F428 WeakPolarHBondContact CA-O 3.48Å; G416-F428 PolarHBondContact N-O 3.14Å; D417-F428 PolarHBondContact O-N 3.49Å; V419-F428 HydrophobicContact CG2-CB 4.04Å; V419-F428 HydrophobicContact CG2-CD2 4.45Å; F428-E430 HydrophobicContact CE1-CG 4.12Å
429V80.8Confident85.6Confident100 Ų10068 Ų6861%0.60637%0.373SS*.  trans-116.3125.2177.9-1760000108.5N415 E427N415-V429 WeakPolarHBondContact OD1-CA 3.49Å; E427-V429 PolarHBondContact O-N 3.47Å
430E67.7Low85.1Confident178 Ų17873.7 Ų73.783%0.83240%0.404SS*.  trans-66.30-179.3-82.6-178.417500114.6N415 F428N415-E430 HydrophobicContact CB-CB 4.49Å; N415-E430 HydrophobicContact CB-CG 4.08Å; N415-E430 PolarHBondContact OD1-N 3.34Å; F428-E430 HydrophobicContact CE1-CG 4.12Å

Retrieved 430 of 430 residues in 80 ms (Link to these results)

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