A0A5K4FB85_SCHMA Loading...

L-serine ammonia-lyase

AlphaFold DB , UniProt , Accession A0A5K4FB85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 440 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
1M67.4Low77.2Confident182 Ų18292.5 Ų92.590%0.89749%0.487SS*.  0141.70-73.7-149.3-71.300108.5P123M1-P123 HydrophobicContact CG-CB 4.19Å; M1-P123 HydrophobicContact CG-CG 4.29Å
2V76.8Confident78Confident15 Ų1591.8 Ų91.89%0.09148%0.482CS..  trans-68.5133.5178176.70000109.7E4 V7 T125 L146 L148 I164 L170V2-E4 PolarHBondContact O-N 2.59Å; V2-V7 HydrophobicContact CG1-CB 4.37Å; V2-V7 HydrophobicContact CG1-CG1 3.68Å; V2-V7 HydrophobicContact CG1-CG2 3.72Å; V2-T125 HydrophobicContact CG2-CG2 4.03Å; V2-T125 VanDerWaalsContact CG2-OG1 3.29Å; V2-T125 WeakPolarHBondContact CG2-OG1 3.46Å; V2-L146 HydrophobicContact CB-CD2 3.86Å; V2-L146 HydrophobicContact CG1-CD2 4.41Å; V2-L148 HydrophobicContact CG1-CD1 4.35Å; V2-I164 HydrophobicContact CG1-CG2 4.4Å; V2-I164 HydrophobicContact CG2-CG2 4.31Å; V2-L170 HydrophobicContact CG2-CD1 3.48Å; V2-L170 VanDerWaalsContact CG2-CD1 3.48Å
3D76.5Confident78.7Confident70 Ų7085.8 Ų85.837%0.37445%0.453SS..  trans-80.8106.7167.2-178.5-18.4000108.9Q5 L6 V7D3-Q5 PolarHBondContact O-N 2.79Å; D3-Q5 WeakPolarHBondContact OD1-CB 3.3Å; D3-Q5 PolarHBondContact OD1-N 2.64Å; D3-L6 HydrophobicContact CB-CB 4.07Å; D3-L6 HydrophobicContact CB-CD1 3.79Å; D3-L6 HydrophobicContact CB-CG 4.14Å; D3-L6 PolarHBondContact O-N 2.85Å; D3-L6 VanDerWaalsContact O-N 3.15Å; D3-L6 PolarHBondContact OD1-N 3.5Å; D3-L6 WeakPolarHBondContact OD2-CD1 3.17Å; D3-V7 WeakPolarHBondContact O-CG2 3.48Å; D3-V7 PolarHBondContact O-N 2.79Å
4E74.7Confident79.3Confident111 Ų11186.9 Ų86.952%0.51946%0.459SS..Hα-helixtrans-55.6-35179.7-73.1-175.5-151.800112.6V2 V7 T8 L146 L148V2-E4 PolarHBondContact O-N 2.59Å; E4-V7 WeakPolarHBondContact O-CG2 3.34Å; E4-V7 PolarHBondContact O-N 2.84Å; E4-T8 PolarHBondContact O-N 2.78Å; E4-T8 PolarHBondContact O-OG1 3.25Å; E4-L146 HydrophobicContact CG-CD1 4.22Å; E4-L146 HydrophobicContact CG-CD2 4.35Å; E4-L146 WeakPolarHBondContact OE1-CD1 3.34Å; E4-L148 HydrophobicContact CG-CD2 4.49Å
5Q71.1Confident79.5Confident167 Ų16784.6 Ų84.678%0.7846%0.457SS*.Hα-helixtrans-67.7-39.4179.9-65-172.4-8.200111.5D3 V7D3-Q5 PolarHBondContact O-N 2.79Å; D3-Q5 WeakPolarHBondContact OD1-CB 3.3Å; D3-Q5 PolarHBondContact OD1-N 2.64Å; Q5-V7 VanDerWaalsContact C-N 3.31Å; Q5-V7 PolarHBondContact O-N 3.48Å
6L72.5Confident79.7Confident123 Ų12389.8 Ų89.864%0.64448%0.478SS*.Hα-helixtrans-67.6-29.8177.1-77.2170.4000112.6D3D3-L6 HydrophobicContact CB-CB 4.07Å; D3-L6 HydrophobicContact CB-CD1 3.79Å; D3-L6 HydrophobicContact CB-CG 4.14Å; D3-L6 PolarHBondContact O-N 2.85Å; D3-L6 VanDerWaalsContact O-N 3.15Å; D3-L6 PolarHBondContact OD1-N 3.5Å; D3-L6 WeakPolarHBondContact OD2-CD1 3.17Å
7V80.4Confident80Confident2 Ų286.9 Ų86.91%0.01246%0.463CS..Hα-helixtrans-93.1-18.6-178.6-65.50000114.7V2 D3 E4 Q5 N9 I10 L148 K150 I164V2-V7 HydrophobicContact CG1-CB 4.37Å; V2-V7 HydrophobicContact CG1-CG1 3.68Å; V2-V7 HydrophobicContact CG1-CG2 3.72Å; D3-V7 WeakPolarHBondContact O-CG2 3.48Å; D3-V7 PolarHBondContact O-N 2.79Å; E4-V7 WeakPolarHBondContact O-CG2 3.34Å; E4-V7 PolarHBondContact O-N 2.84Å; Q5-V7 VanDerWaalsContact C-N 3.31Å; Q5-V7 PolarHBondContact O-N 3.48Å; V7-N9 VanDerWaalsContact C-N 3.28Å; V7-N9 PolarHBondContact O-N 3Å; V7-I10 HydrophobicContact CB-CD1 4Å; V7-I10 HydrophobicContact CG1-CD1 3.77Å; V7-I10 PolarHBondContact O-N 3.33Å; V7-L148 HydrophobicContact CG2-CD1 3.83Å; V7-K150 WeakPolarHBondContact O-CE 3.43Å; V7-K150 PolarHBondContact O-NZ 3.32Å; V7-I164 HydrophobicContact CB-CD1 4.18Å; V7-I164 HydrophobicContact CB-CG1 4.4Å; V7-I164 HydrophobicContact CG1-CB 4.42Å; V7-I164 HydrophobicContact CG1-CD1 4.04Å; V7-I164 HydrophobicContact CG1-CG1 3.79Å; V7-I164 HydrophobicContact CG1-CG2 3.85Å
8T76.3Confident80Confident82 Ų8287.8 Ų87.850%0.50347%0.474SS..Hα-helixtrans-58.2-38.4-175.4-61.90000112.5E4 K150E4-T8 PolarHBondContact O-N 2.78Å; E4-T8 PolarHBondContact O-OG1 3.25Å; T8-K150 VanDerWaalsContact C-NZ 3.35Å; T8-K150 PolarHBondContact O-NZ 2.6Å
9N80.1Confident80Confident141 Ų14187.9 Ų87.975%0.75447%0.474SS*.THydrogen-bonded Turntrans-109.217.7-174.8-65.9-27.3000114.8V7 P11V7-N9 VanDerWaalsContact C-N 3.28Å; V7-N9 PolarHBondContact O-N 3Å; N9-P11 WeakPolarHBondContact O-CD 3.42Å
10I84.6Confident80.2Confident23 Ų2384.2 Ų84.212%0.11845%0.454CS..PPolyproline II helixtrans-64.4125.3173.9-66.1175.2000109.2V7 Y160 K163 I164 L167V7-I10 HydrophobicContact CB-CD1 4Å; V7-I10 HydrophobicContact CG1-CD1 3.77Å; V7-I10 PolarHBondContact O-N 3.33Å; I10-Y160 HydrophobicContact CG2-CD1 4.23Å; I10-Y160 HydrophobicContact CG2-CE1 4.17Å; I10-Y160 WeakPolarHBondContact O-CE1 3.31Å; I10-K163 HydrophobicContact CG2-CG 4.3Å; I10-I164 HydrophobicContact CD1-CG1 3.9Å; I10-L167 HydrophobicContact CD1-CD1 3.68Å
11P88.5Confident80.3Confident102 Ų10284.8 Ų84.866%0.66246%0.456SS*.PPolyproline II helixtrans-71.3161.3173.530.8-34.8000111N9 P13N9-P11 WeakPolarHBondContact O-CD 3.42Å; P11-P13 VanDerWaalsContact O-CD 3.3Å; P11-P13 WeakPolarHBondContact O-CD 3.21Å
12L87.6Confident81.3Confident83 Ų8376.8 Ų76.844%0.43542%0.417SS..PPolyproline II helixtrans-57.2122176.2-177.965.8000109.6E156 Y160L12-E156 HydrophobicContact CD1-CB 3.76Å; L12-E156 HydrophobicContact CD1-CG 3.81Å; L12-E156 HydrophobicContact CD2-CG 4.09Å; L12-Y160 WeakPolarHBondContact CA-OH 3.35Å; L12-Y160 HydrophobicContact CD1-CD2 4.08Å; L12-Y160 HydrophobicContact CD1-CE2 3.51Å; L12-Y160 PolarHBondContact N-OH 3.28Å
13P86.7Confident81.7Confident15 Ų1580.5 Ų80.510%0.09744%0.442CS..PPolyproline II helixtrans-66.9152.3179.6-2134.4000112P11 A15 L20 L159 Y160 K163P11-P13 VanDerWaalsContact O-CD 3.3Å; P11-P13 WeakPolarHBondContact O-CD 3.21Å; P13-A15 PolarHBondContact O-N 3.16Å; P13-L20 HydrophobicContact CB-CD1 3.57Å; P13-L159 HydrophobicContact CB-CB 4.25Å; P13-L159 HydrophobicContact CG-CB 4.21Å; P13-Y160 HydrophobicContact CG-CD1 4.49Å; P13-K163 HydrophobicContact CB-CB 4.41Å; P13-K163 HydrophobicContact CG-CB 3.66Å; P13-K163 HydrophobicContact CG-CG 4.04Å
14N86.5Confident82.4Confident100 Ų10078.4 Ų78.454%0.53543%0.43SS..PPolyproline II helixtrans-68.4128.2170.5-175.9-1.6000109.2E16 D17 L20N14-E16 PolarHBondContact O-N 3.2Å; N14-E16 PolarHBondContact OD1-N 3.49Å; N14-D17 HydrophobicContact CB-CB 4.48Å; N14-D17 VanDerWaalsContact O-CB 3.27Å; N14-D17 WeakPolarHBondContact O-CB 3.37Å; N14-D17 PolarHBondContact O-N 3.21Å; N14-L20 VanDerWaalsContact O-CD1 3.32Å; N14-L20 WeakPolarHBondContact O-CD1 3.44Å
15A82.4Confident83Confident53 Ų5373.7 Ų73.744%0.43841%0.41SS..THydrogen-bonded Turntrans-63.5-25.4178.300000113.5P13 D17 F155 L159P13-A15 PolarHBondContact O-N 3.16Å; A15-D17 VanDerWaalsContact C-N 3.29Å; A15-F155 HydrophobicContact CB-CE1 4.2Å; A15-F155 HydrophobicContact CB-CZ 3.72Å; A15-L159 HydrophobicContact CB-CD1 3.95Å; A15-L159 HydrophobicContact CB-CD2 4.24Å
16E83.2Confident83.9Confident168 Ų16867 Ų6779%0.78538%0.38SS*.THydrogen-bonded Turntrans-85.51.6178.9-61-178.717000113.1N14 P18N14-E16 PolarHBondContact O-N 3.2Å; N14-E16 PolarHBondContact OD1-N 3.49Å; E16-P18 WeakPolarHBondContact O-CD 3.33Å
17D84.9Confident84.7Confident41 Ų4164.9 Ų64.922%0.21937%0.373CS..  trans-69.1109178.7-174.92.4000110N14 A15 D19 L20 K163N14-D17 HydrophobicContact CB-CB 4.48Å; N14-D17 VanDerWaalsContact O-CB 3.27Å; N14-D17 WeakPolarHBondContact O-CB 3.37Å; N14-D17 PolarHBondContact O-N 3.21Å; A15-D17 VanDerWaalsContact C-N 3.29Å; D17-D19 PolarHBondContact O-N 3.04Å; D17-D19 VanDerWaalsContact O-N 3.09Å; D17-D19 VanDerWaalsContact OD1-CB 3.28Å; D17-D19 WeakPolarHBondContact OD1-CB 3.4Å; D17-D19 PolarHBondContact OD1-N 3.22Å; D17-L20 HydrophobicContact CB-CD1 3.85Å; D17-L20 HydrophobicContact CB-CG 3.89Å; D17-L20 WeakPolarHBondContact O-CB 3.41Å; D17-L20 PolarHBondContact O-N 3.18Å; D17-K163 IonicContact OD2-NZ 3.65Å
18P79.5Confident85.2Confident102 Ų10271.3 Ų71.366%0.66241%0.407SS*.G310 helixtrans-63.6-20.5-176.527.9-35.3000111.9E16 L20 L21E16-P18 WeakPolarHBondContact O-CD 3.33Å; P18-L20 PolarHBondContact O-N 2.57Å; P18-L21 WeakPolarHBondContact O-CB 3.32Å; P18-L21 PolarHBondContact O-N 3.14Å
19D81Confident86Confident91 Ų9173.6 Ų73.649%0.48741%0.412SS..G310 helixtrans-68.2-11.7175.7-79.7-20.2000114D17 K166D17-D19 PolarHBondContact O-N 3.04Å; D17-D19 VanDerWaalsContact O-N 3.09Å; D17-D19 VanDerWaalsContact OD1-CB 3.28Å; D17-D19 WeakPolarHBondContact OD1-CB 3.4Å; D17-D19 PolarHBondContact OD1-N 3.22Å; D19-K166 HydrophobicContact CB-CD 4.12Å; D19-K166 IonicContact OD1-NZ 2.6Å; D19-K166 PolarHBondContact OD1-NZ 3.44Å; D19-K166 IonicContact OD2-NZ 3.25Å; D19-K166 PolarHBondContact OD2-NZ 3.33Å
20L83.6Confident86.8Confident13 Ų1369.2 Ų69.27%0.06839%0.391CS..G310 helixtrans-93.4-3178.3-58.4-179.2000113.4P13 N14 D17 P18 D22 L159 S162 K163P13-L20 HydrophobicContact CB-CD1 3.57Å; N14-L20 VanDerWaalsContact O-CD1 3.32Å; N14-L20 WeakPolarHBondContact O-CD1 3.44Å; D17-L20 HydrophobicContact CB-CD1 3.85Å; D17-L20 HydrophobicContact CB-CG 3.89Å; D17-L20 WeakPolarHBondContact O-CB 3.41Å; D17-L20 PolarHBondContact O-N 3.18Å; P18-L20 PolarHBondContact O-N 2.57Å; L20-D22 PolarHBondContact O-N 2.62Å; L20-L159 HydrophobicContact CD1-CD2 4.2Å; L20-S162 VanDerWaalsContact O-CB 3.32Å; L20-S162 WeakPolarHBondContact O-CB 3.44Å; L20-S162 PolarHBondContact O-OG 3.15Å; L20-K163 HydrophobicContact CD2-CB 3.9Å; L20-K163 HydrophobicContact CD2-CD 3.9Å
21L82.8Confident87.3Confident96 Ų9672.2 Ų72.250%0.50340%0.404SS..  trans-63.1133.4178.3-154.3102.3000110P18 P23 D26P18-L21 WeakPolarHBondContact O-CB 3.32Å; P18-L21 PolarHBondContact O-N 3.14Å; L21-P23 WeakPolarHBondContact O-CD 3.01Å; L21-D26 HydrophobicContact CD2-CB 4.14Å
22D87.4Confident87.8Confident15 Ų1571.4 Ų71.48%0.0840%0.396CS..  trans-80.6113.4173.5176.38.9000108.8L20 N24 S25 D26 L172L20-D22 PolarHBondContact O-N 2.62Å; D22-N24 PolarHBondContact O-N 3.14Å; D22-N24 VanDerWaalsContact O-N 3.09Å; D22-N24 WeakPolarHBondContact OD1-CB 2.96Å; D22-N24 PolarHBondContact OD1-N 3.12Å; D22-S25 CarbonylContact O-C 3.57Å; D22-S25 PolarHBondContact O-N 3.05Å; D22-S25 WeakPolarHBondContact OD2-CB 3.49Å; D22-S25 PolarHBondContact OD2-OG 2.89Å; D22-D26 PolarHBondContact O-N 3.46Å; D22-L172 HydrophobicContact CB-CD2 4.04Å
23P86.3Confident88.3Confident92 Ų9267.6 Ų67.660%0.59738%0.377SS*.THydrogen-bonded Turntrans-66.2-12.4-179.929.4-36.7000113.1L21 K31L21-P23 WeakPolarHBondContact O-CD 3.01Å; P23-K31 PolarHBondContact O-NZ 3.49Å
24N90.6Very high88.8Confident26 Ų2670.3 Ų70.314%0.13939%0.392CS..THydrogen-bonded Turntrans-91.5-4.2171.5-70.2-51.3000113.4D22 K31 H178 N269D22-N24 PolarHBondContact O-N 3.14Å; D22-N24 VanDerWaalsContact O-N 3.09Å; D22-N24 WeakPolarHBondContact OD1-CB 2.96Å; D22-N24 PolarHBondContact OD1-N 3.12Å; N24-K31 PolarHBondContact OD1-NZ 3.05Å; N24-H178 PolarHBondContact ND2-NE2 2.9Å; N24-N269 PolarHBondContact O-ND2 2.92Å
25S87.5Confident89.4Confident13 Ų1367.8 Ų67.89%0.09138%0.377CS..SBendtrans-135.843.6178.8-46.20000110.1D22 P27 N174D22-S25 CarbonylContact O-C 3.57Å; D22-S25 PolarHBondContact O-N 3.05Å; D22-S25 WeakPolarHBondContact OD2-CB 3.49Å; D22-S25 PolarHBondContact OD2-OG 2.89Å; S25-P27 WeakPolarHBondContact O-CD 3.47Å; S25-N174 PolarHBondContact OG-ND2 3.37Å
26D89.7Confident90.2Very high27 Ų2771.5 Ų71.514%0.14439%0.385CS..  trans-79.4117.5-176.9-178-1.4000110.9L21 D22 D28 H29L21-D26 HydrophobicContact CD2-CB 4.14Å; D22-D26 PolarHBondContact O-N 3.46Å; D26-D28 PolarHBondContact O-N 2.72Å; D26-D28 PolarHBondContact OD1-N 3.07Å; D26-H29 HydrophobicContact CB-CB 4.38Å; D26-H29 CarbonylContact O-C 3.57Å; D26-H29 VanDerWaalsContact O-C 3.32Å; D26-H29 PolarHBondContact O-N 3.25Å; D26-H29 IonicContact OD2-CE1 2.85Å; D26-H29 IonicContact OD2-CG 3.38Å; D26-H29 IonicContact OD2-ND1 2.61Å; D26-H29 PolarHBondContact OD2-ND1 3.38Å
27P88.2Confident90.9Very high78 Ų7866.7 Ų66.751%0.50636%0.363SS..THydrogen-bonded Turntrans-55.2-31.7175.4-24.234.4000114.9S25 V268S25-P27 WeakPolarHBondContact O-CD 3.47Å; P27-V268 HydrophobicContact CB-CG2 4.3Å; P27-V268 HydrophobicContact CG-CG2 4.08Å
28D91.5Very high91.6Very high137 Ų13764.8 Ų64.873%0.73335%0.352SS*.THydrogen-bonded Turntrans-84.4-20-177.1-65.7-36.5000112.3D26D26-D28 PolarHBondContact O-N 2.72Å; D26-D28 PolarHBondContact OD1-N 3.07Å
29H94.3Very high92.5Very high129 Ų12966 Ų6660%0.59735%0.348SS*.SBendtrans-134.464-177.8-54.796.7000111.7D26 K31D26-H29 HydrophobicContact CB-CB 4.38Å; D26-H29 CarbonylContact O-C 3.57Å; D26-H29 VanDerWaalsContact O-C 3.32Å; D26-H29 PolarHBondContact O-N 3.25Å; D26-H29 IonicContact OD2-CE1 2.85Å; D26-H29 IonicContact OD2-CG 3.38Å; D26-H29 IonicContact OD2-ND1 2.61Å; D26-H29 PolarHBondContact OD2-ND1 3.38Å; H29-K31 PolarHBondContact O-N 3.09Å
30P95.1Very high93.3Very high49 Ų4964.5 Ų64.532%0.31835%0.348SS..  trans-61.2136.5179.425.7-34.6000111.7V268 N269 E272P30-V268 HydrophobicContact CB-CG1 3.94Å; P30-N269 WeakPolarHBondContact CA-OD1 3.22Å; P30-E272 HydrophobicContact CB-CB 3.93Å; P30-E272 HydrophobicContact CB-CG 3.59Å; P30-E272 HydrophobicContact CG-CB 4.47Å; P30-E272 HydrophobicContact CG-CG 3.84Å
31K96.8Very high94Very high87 Ų8763.9 Ų63.938%0.37834%0.344SS..  trans-99.394.7177.8-62.8-179-173.4-177.40109.4P23 N24 H29 P179 N269P23-K31 PolarHBondContact O-NZ 3.49Å; N24-K31 PolarHBondContact OD1-NZ 3.05Å; H29-K31 PolarHBondContact O-N 3.09Å; K31-P179 HydrophobicContact CB-CG 3.65Å; K31-P179 HydrophobicContact CD-CG 3.7Å; K31-P179 HydrophobicContact CG-CG 4.31Å; K31-N269 PolarHBondContact N-OD1 3.05Å
32V97.6Very high94.8Very high84 Ų8460.5 Ų60.551%0.50933%0.328SS..  trans-75.4125.1174.7178.60000109.5E272V32-E272 HydrophobicContact CG2-CB 3.99Å
33I98.2Very high95.3Very high4 Ų465.8 Ų65.82%0.02135%0.353CS..  trans-84.5154.1176.857.8150.2000112.1E37 V38 P179 L182 V217 T273I33-E37 WeakPolarHBondContact CA-OE2 3.34Å; I33-E37 WeakPolarHBondContact CB-OE2 3.34Å; I33-V38 HydrophobicContact CD1-CG2 4.16Å; I33-P179 HydrophobicContact CG2-CB 3.86Å; I33-L182 HydrophobicContact CD1-CB 3.69Å; I33-L182 HydrophobicContact CD1-CD2 4.49Å; I33-L182 HydrophobicContact CG1-CB 4.23Å; I33-L182 HydrophobicContact CG1-CD2 4.25Å; I33-L182 HydrophobicContact CG2-CB 4.35Å; I33-V217 HydrophobicContact CD1-CB 4.42Å; I33-V217 HydrophobicContact CD1-CG2 4.27Å; I33-V217 HydrophobicContact CG1-CG2 4.16Å; I33-T273 HydrophobicContact CD1-CG2 4.27Å; I33-T273 HydrophobicContact CG1-CG2 3.56Å; I33-T273 PolarHBondContact N-OG1 2.67Å
34V98.3Very high95.8Very high71 Ų7165 Ų6543%0.4334%0.343SS..  trans-117.2166.7178-60.70000112.6E36 E37 V38 V217V34-E36 VanDerWaalsContact C-N 3.28Å; V34-E36 HydrophobicContact CG2-CB 4.29Å; V34-E36 PolarHBondContact O-N 2.63Å; V34-E37 HydrophobicContact CG2-CG 4Å; V34-E37 PolarHBondContact N-OE2 3.21Å; V34-E37 WeakPolarHBondContact O-CB 3.49Å; V34-E37 PolarHBondContact O-N 2.69Å; V34-E37 VanDerWaalsContact O-N 3.16Å; V34-V38 PolarHBondContact O-N 3.16Å; V34-V217 VanDerWaalsContact C-CG1 3.43Å
35F98.5Very high96.2Very high47 Ų4763.9 Ų63.921%0.20634%0.337CS..Hα-helixtrans-62.5-34.7-175.7178.8-119.5000113.1E37 V38 K39 V190 V217 I222F35-E37 PolarHBondContact O-N 2.88Å; F35-V38 PolarHBondContact O-N 3.36Å; F35-V38 VanDerWaalsContact O-N 3.12Å; F35-K39 WeakPolarHBondContact O-CB 3.43Å; F35-K39 PolarHBondContact O-N 2.93Å; F35-V190 HydrophobicContact CE2-CG2 4.31Å; F35-V217 HydrophobicContact CB-CG1 4.21Å; F35-I222 HydrophobicContact CE1-CG1 4.36Å; F35-I222 HydrophobicContact CE2-CD1 3.67Å; F35-I222 HydrophobicContact CE2-CG1 3.83Å; F35-I222 HydrophobicContact CZ-CD1 3.64Å; F35-I222 HydrophobicContact CZ-CG1 3.62Å
36E98.6Very high96.6Very high131 Ų13169.5 Ų69.561%0.61236%0.36SS*.Hα-helixtrans-58.8-36.9176.8-70.469.1-15600111.8V34 K39 A40V34-E36 VanDerWaalsContact C-N 3.28Å; V34-E36 HydrophobicContact CG2-CB 4.29Å; V34-E36 PolarHBondContact O-N 2.63Å; E36-K39 PolarHBondContact O-N 3.38Å; E36-A40 VanDerWaalsContact O-CB 3.3Å; E36-A40 WeakPolarHBondContact O-CB 3.31Å; E36-A40 PolarHBondContact O-N 2.98Å
37E98.7Very high96.9Very high68 Ų6875.7 Ų75.732%0.31839%0.393SS..Hα-helixtrans-70.2-38.5176.7-65175.2105.500111.6I33 V34 F35 A41I33-E37 WeakPolarHBondContact CA-OE2 3.34Å; I33-E37 WeakPolarHBondContact CB-OE2 3.34Å; V34-E37 HydrophobicContact CG2-CG 4Å; V34-E37 PolarHBondContact N-OE2 3.21Å; V34-E37 WeakPolarHBondContact O-CB 3.49Å; V34-E37 PolarHBondContact O-N 2.69Å; V34-E37 VanDerWaalsContact O-N 3.16Å; F35-E37 PolarHBondContact O-N 2.88Å; E37-A41 VanDerWaalsContact O-CB 3.31Å; E37-A41 WeakPolarHBondContact O-CB 3.43Å; E37-A41 PolarHBondContact O-N 3.25Å
38V98.8Very high97.3Very high0 Ų073 Ų730%038%0.38CS..Hα-helixtrans-64.9-43.2173.9179.20000110.8I33 V34 F35 A41 S42 V190 V217 A218I33-V38 HydrophobicContact CD1-CG2 4.16Å; V34-V38 PolarHBondContact O-N 3.16Å; F35-V38 PolarHBondContact O-N 3.36Å; F35-V38 VanDerWaalsContact O-N 3.12Å; V38-A41 WeakPolarHBondContact O-CB 3.35Å; V38-A41 PolarHBondContact O-N 3.38Å; V38-S42 PolarHBondContact O-N 3.34Å; V38-V190 HydrophobicContact CG1-CG2 4.07Å; V38-V217 HydrophobicContact CG2-CB 4.44Å; V38-V217 HydrophobicContact CG2-CG1 3.98Å; V38-A218 HydrophobicContact CG1-CB 4.02Å
39K98.4Very high97.6Very high129 Ų12967.3 Ų67.356%0.56135%0.35SS*.Hα-helixtrans-64.2-44.5178-173.1179179.8-179.80111.3F35 E36 A41 S42 E43F35-K39 WeakPolarHBondContact O-CB 3.43Å; F35-K39 PolarHBondContact O-N 2.93Å; E36-K39 PolarHBondContact O-N 3.38Å; K39-A41 VanDerWaalsContact C-N 3.31Å; K39-A41 PolarHBondContact O-N 2.92Å; K39-S42 WeakPolarHBondContact O-CB 3.45Å; K39-S42 PolarHBondContact O-N 2.99Å; K39-E43 PolarHBondContact O-N 2.92Å
40A98.6Very high97.8Very high59 Ų5964.6 Ų64.649%0.48834%0.339SS..Hα-helixtrans-60.9-42.117400000111.4E36 S42 E43 L44E36-A40 VanDerWaalsContact O-CB 3.3Å; E36-A40 WeakPolarHBondContact O-CB 3.31Å; E36-A40 PolarHBondContact O-N 2.98Å; A40-S42 VanDerWaalsContact C-N 3.32Å; A40-S42 PolarHBondContact O-N 3.4Å; A40-E43 PolarHBondContact O-N 3.28Å; A40-L44 VanDerWaalsContact O-CB 3.27Å; A40-L44 WeakPolarHBondContact O-CB 3.46Å; A40-L44 PolarHBondContact O-N 3.28Å
41A98.7Very high98Very high0 Ų067.9 Ų67.90%035%0.346CS..Hα-helixtrans-60.4-40.8174.800000111.9E37 V38 K39 E43 L44 I45 N87 T187E37-A41 VanDerWaalsContact O-CB 3.31Å; E37-A41 WeakPolarHBondContact O-CB 3.43Å; E37-A41 PolarHBondContact O-N 3.25Å; V38-A41 WeakPolarHBondContact O-CB 3.35Å; V38-A41 PolarHBondContact O-N 3.38Å; K39-A41 VanDerWaalsContact C-N 3.31Å; K39-A41 PolarHBondContact O-N 2.92Å; A41-E43 PolarHBondContact O-N 3.06Å; A41-L44 PolarHBondContact O-N 3.35Å; A41-I45 VanDerWaalsContact O-CG1 3.28Å; A41-I45 WeakPolarHBondContact O-CG1 3.38Å; A41-I45 WeakPolarHBondContact O-CG2 3.47Å; A41-I45 PolarHBondContact O-N 3.44Å; A41-N87 HydrophobicContact CB-CB 4.43Å; A41-N87 WeakPolarHBondContact CB-ND2 3.32Å; A41-N87 WeakPolarHBondContact CB-OD1 3.49Å; A41-T187 HydrophobicContact CB-CG2 3.96Å
42S98.2Very high98.1Very high24 Ų2463.7 Ų63.717%0.16833%0.328CS..Hα-helixtrans-59.5-46.5179.2-173.30000112.2V38 K39 A40 K46 T187V38-S42 PolarHBondContact O-N 3.34Å; K39-S42 WeakPolarHBondContact O-CB 3.45Å; K39-S42 PolarHBondContact O-N 2.99Å; A40-S42 VanDerWaalsContact C-N 3.32Å; A40-S42 PolarHBondContact O-N 3.4Å; S42-K46 PolarHBondContact O-N 3.46Å; S42-T187 VanDerWaalsContact CA-CG2 3.5Å
43E98.2Very high98.1Very high126 Ų12661.7 Ų61.759%0.58932%0.316SS*.Hα-helixtrans-67.1-41.6175-66-58.6148.300111.8K39 A40 A41 I45K39-E43 PolarHBondContact O-N 2.92Å; A40-E43 PolarHBondContact O-N 3.28Å; A41-E43 PolarHBondContact O-N 3.06Å; E43-I45 PolarHBondContact O-N 3.27Å
44L98.1Very high98.1Very high76 Ų7662.1 Ų62.140%0.39832%0.319SS..Hα-helixtrans-66-37.2-175.5-174.460.7000113.2A40 A41 L90 Q91A40-L44 VanDerWaalsContact O-CB 3.27Å; A40-L44 WeakPolarHBondContact O-CB 3.46Å; A40-L44 PolarHBondContact O-N 3.28Å; A41-L44 PolarHBondContact O-N 3.35Å; L44-L90 HydrophobicContact CD1-CB 4.21Å; L44-L90 HydrophobicContact CD1-CD1 4.14Å; L44-L90 HydrophobicContact CD2-CB 3.78Å; L44-L90 HydrophobicContact CD2-CD1 4.49Å; L44-L90 HydrophobicContact CG-CB 3.96Å; L44-L90 HydrophobicContact CG-CD1 3.81Å; L44-L90 WeakPolarHBondContact O-CD1 3.38Å; L44-Q91 HydrophobicContact CD2-CG 3.76Å
45I98.4Very high98.1Very high2 Ų265.2 Ų65.21%0.0133%0.327CS..Hα-helixtrans-91.5-13.7-17672.6179.7000114.1A41 E43 D47 G48 V49 R83 R86 N87 T187A41-I45 VanDerWaalsContact O-CG1 3.28Å; A41-I45 WeakPolarHBondContact O-CG1 3.38Å; A41-I45 WeakPolarHBondContact O-CG2 3.47Å; A41-I45 PolarHBondContact O-N 3.44Å; E43-I45 PolarHBondContact O-N 3.27Å; I45-D47 VanDerWaalsContact C-N 3.26Å; I45-D47 PolarHBondContact O-N 3.04Å; I45-G48 PolarHBondContact O-N 3.01Å; I45-V49 HydrophobicContact CB-CG1 4.32Å; I45-V49 HydrophobicContact CB-CG2 4.27Å; I45-V49 HydrophobicContact CD1-CG1 4.35Å; I45-V49 HydrophobicContact CD1-CG2 3.86Å; I45-V49 HydrophobicContact CG1-CG2 3.76Å; I45-V49 PolarHBondContact O-N 3.4Å; I45-R83 HydrophobicContact CD1-CB 3.73Å; I45-R83 HydrophobicContact CD1-CG 4.01Å; I45-R86 HydrophobicContact CB-CG 4.39Å; I45-R86 HydrophobicContact CG2-CB 4.15Å; I45-R86 HydrophobicContact CG2-CG 4.11Å; I45-N87 HydrophobicContact CG2-CB 3.75Å; I45-T187 HydrophobicContact CD1-CG2 3.82Å
46K96.5Very high98.1Very high132 Ų13267.9 Ų67.957%0.57434%0.338SS*.G310 helixtrans-45.2-44-168.4-171.7176.8-176.7172.10114.7S42 G48S42-K46 PolarHBondContact O-N 3.46Å; K46-G48 VanDerWaalsContact C-N 3.32Å; K46-G48 PolarHBondContact O-N 2.88Å
47D95.1Very high98Very high157 Ų15761.9 Ų61.984%0.8431%0.311SS*.G310 helixtrans-85.63.7-175.2-65.3-33.9000114.6I45I45-D47 VanDerWaalsContact C-N 3.26Å; I45-D47 PolarHBondContact O-N 3.04Å
48G97.1Very high97.7Very high22 Ų2265.7 Ų65.723%0.22733%0.329CS..G310 helixtrans-146.324.4175.300000115.8I45 K46 R86 H116I45-G48 PolarHBondContact O-N 3.01Å; K46-G48 VanDerWaalsContact C-N 3.32Å; K46-G48 PolarHBondContact O-N 2.88Å; G48-R86 WeakPolarHBondContact O-CD 3.26Å; G48-H116 PolarHBondContact O-CE1 2.9Å; G48-H116 VanDerWaalsContact O-CE1 3.31Å
49V98.2Very high97.6Very high16 Ų1665.7 Ų65.710%0.09733%0.329CS..SBendtrans-127.2153.3157-59.60000108.8I45 D82 R83 R86I45-V49 HydrophobicContact CB-CG1 4.32Å; I45-V49 HydrophobicContact CB-CG2 4.27Å; I45-V49 HydrophobicContact CD1-CG1 4.35Å; I45-V49 HydrophobicContact CD1-CG2 3.86Å; I45-V49 HydrophobicContact CG1-CG2 3.76Å; I45-V49 PolarHBondContact O-N 3.4Å; V49-D82 HydrophobicContact CG1-CB 4.28Å; V49-R83 HydrophobicContact CG1-CG 4.31Å; V49-R83 HydrophobicContact CG2-CG 4.5Å; V49-R86 HydrophobicContact CG1-CB 4.44Å
50I98.5Very high97.5Very high72 Ų7260 Ų6037%0.36931%0.306SS..  trans-75.8133.3176.4-61.9166.8000109.9T52 L74 Q75 V76I50-T52 HydrophobicContact CB-CG2 4.44Å; I50-T52 HydrophobicContact CG2-CG2 4.31Å; I50-T52 PolarHBondContact O-N 2.61Å; I50-L74 VanDerWaalsContact CD1-O 3.27Å; I50-L74 WeakPolarHBondContact CD1-O 3.43Å; I50-Q75 PolarHBondContact O-NE2 3.38Å; I50-V76 HydrophobicContact CD1-CG2 3.83Å; I50-V76 HydrophobicContact CG1-CG2 4.35Å
51Y98.5Very high97.3Very high118 Ų11864.5 Ų64.546%0.46332%0.32SS..  trans-7293.2165-172.3-104.4000108.9E191 E194 Q195Y51-E191 HydrophobicContact CD2-CB 4.41Å; Y51-E191 HydrophobicContact CD2-CG 3.77Å; Y51-E191 HydrophobicContact CE2-CB 3.82Å; Y51-E191 HydrophobicContact CE2-CG 3.49Å; Y51-E191 VanDerWaalsContact CE2-CG 3.49Å; Y51-E194 PolarHBondContact OH-OE2 3.31Å; Y51-Q195 HydrophobicContact CE1-CG 3.94Å; Y51-Q195 VanDerWaalsContact OH-CG 3.26Å; Y51-Q195 WeakPolarHBondContact OH-CG 3.39Å
52T98.7Very high97.1Very high0 Ų069 Ų690%034%0.341CS..  trans-73.3147.7-167.764.80000111.6I50 K70 E72 Q75 Q195I50-T52 HydrophobicContact CB-CG2 4.44Å; I50-T52 HydrophobicContact CG2-CG2 4.31Å; I50-T52 PolarHBondContact O-N 2.61Å; T52-K70 PolarHBondContact O-NZ 3.4Å; T52-K70 WeakPolarHBondContact OG1-CE 3.39Å; T52-K70 PolarHBondContact OG1-NZ 3.18Å; T52-E72 WeakPolarHBondContact CB-OE1 3.4Å; T52-E72 VanDerWaalsContact CG2-OE1 3.28Å; T52-E72 WeakPolarHBondContact CG2-OE1 3.41Å; T52-E72 PolarHBondContact OG1-OE1 3.25Å; T52-Q75 HydrophobicContact CG2-CG 4.44Å; T52-Q195 PolarHBondContact O-NE2 3Å; T52-Q195 PolarHBondContact O-OE1 3.05Å
53P98.6Very high97Very high42 Ų4269.9 Ų69.927%0.27334%0.341SS..  trans-62.7140.1177.5-21.832.7000113K55 K71 L74P53-K55 HydrophobicContact CB-CD 4.45Å; P53-K55 HydrophobicContact CB-CG 4.15Å; P53-K71 PolarHBondContact O-N 3.3Å; P53-L74 HydrophobicContact CG-CD1 4.18Å
54C98.7Very high96.9Very high12 Ų1269.3 Ų69.38%0.08134%0.342CS..EExtended strand (participates in β ladder)trans-118.786.2164.7-164.90000109.6F69 K70 Q195 V196C54-F69 VanDerWaalsContact CA-O 3.27Å; C54-F69 WeakPolarHBondContact CA-O 3.33Å; C54-K70 HydrophobicContact CB-CD 3.92Å; C54-Q195 HydrophobicContact CB-CB 3.84Å; C54-Q195 HydrophobicContact CB-CG 4.35Å; C54-V196 HydrophobicContact CB-CG2 4.46Å
55K97.4Very high96.9Very high137 Ų13766 Ų6660%0.59633%0.325SS*.EExtended strand (participates in β ladder)trans-110.3145.3-170.1-68.7-171.8177.3-175.70111.9P53 Y68 F69P53-K55 HydrophobicContact CB-CD 4.45Å; P53-K55 HydrophobicContact CB-CG 4.15Å; K55-Y68 CarbonylContact O-C 3.31Å; K55-Y68 WeakPolarHBondContact O-CA 3.33Å; K55-F69 PolarHBondContact N-O 3.11Å; K55-F69 PolarHBondContact O-N 3.29Å
56K98Very high96.9Very high102 Ų10268.5 Ų68.544%0.44334%0.338SS..EExtended strand (participates in β ladder)trans-60.8133.1172.1-167.7171.6-178.7168.70110.1S60 D66 I67 Y68K56-S60 WeakPolarHBondContact CE-OG 3.49Å; K56-D66 VanDerWaalsContact CE-OD1 3.3Å; K56-D66 WeakPolarHBondContact CE-OD1 3.41Å; K56-D66 IonicContact NZ-OD1 2.75Å; K56-D66 PolarHBondContact NZ-OD1 3.25Å; K56-D66 IonicContact NZ-OD2 2.76Å; K56-D66 PolarHBondContact NZ-OD2 2.88Å; K56-I67 CarbonylContact C-O 3.51Å; K56-I67 WeakPolarHBondContact CA-O 3.38Å; K56-Y68 HydrophobicContact CB-CD1 3.97Å; K56-Y68 HydrophobicContact CB-CE1 3.65Å; K56-Y68 HydrophobicContact CB-CE2 4.37Å; K56-Y68 HydrophobicContact CB-CG 4.44Å; K56-Y68 HydrophobicContact CD-CE2 4.44Å; K56-Y68 HydrophobicContact CG-CE1 4.41Å; K56-Y68 HydrophobicContact CG-CE2 4.27Å; K56-Y68 VanDerWaalsContact N-CD1 3.29Å
57S97.5Very high97Very high6 Ų662.2 Ų62.24%0.04231%0.311CS..  trans-89.9151.6178.8-178.40000111.9L59 S60 I67 F69 E300S57-L59 PolarHBondContact O-N 3.39Å; S57-L59 WeakPolarHBondContact OG-CB 3.47Å; S57-L59 PolarHBondContact OG-N 2.95Å; S57-L59 VanDerWaalsContact OG-N 3.09Å; S57-S60 VanDerWaalsContact O-CB 3.32Å; S57-S60 WeakPolarHBondContact O-CB 3.4Å; S57-S60 PolarHBondContact O-N 2.87Å; S57-S60 PolarHBondContact O-OG 3.38Å; S57-I67 PolarHBondContact N-O 3.14Å; S57-F69 WeakPolarHBondContact OG-CE2 3.46Å; S57-E300 WeakPolarHBondContact CA-OE1 3.36Å; S57-E300 VanDerWaalsContact CB-OE1 3.24Å; S57-E300 WeakPolarHBondContact CB-OE1 3.41Å; S57-E300 PolarHBondContact OG-OE1 2.77Å
58Q92.5Very high97.2Very high147 Ų14756.6 Ų56.669%0.68728%0.278SS*.THydrogen-bonded Turntrans-64.4-24.7168.4-63.8-176.1-5.600112.7S60 L61Q58-S60 PolarHBondContact O-N 3.3Å; Q58-S60 VanDerWaalsContact O-N 3.07Å; Q58-L61 PolarHBondContact O-N 3.47Å
59L95.8Very high97.3Very high1 Ų155.5 Ų55.51%0.00527%0.267CS..THydrogen-bonded Turntrans-64.1-11.4175.7-65.1173.8000113S57 L61 E62 Y63 F69 R295 F299 L312S57-L59 PolarHBondContact O-N 3.39Å; S57-L59 WeakPolarHBondContact OG-CB 3.47Å; S57-L59 PolarHBondContact OG-N 2.95Å; S57-L59 VanDerWaalsContact OG-N 3.09Å; L59-L61 PolarHBondContact O-N 3.39Å; L59-E62 WeakPolarHBondContact CD2-OE2 3.35Å; L59-E62 PolarHBondContact O-N 2.86Å; L59-Y63 HydrophobicContact CB-CD2 4.23Å; L59-Y63 HydrophobicContact CB-CE2 4.15Å; L59-Y63 HydrophobicContact CD2-CE2 4.4Å; L59-Y63 VanDerWaalsContact O-CD2 3.31Å; L59-Y63 WeakPolarHBondContact O-CD2 3.42Å; L59-Y63 PolarHBondContact O-N 3.07Å; L59-F69 HydrophobicContact CD1-CE2 4.26Å; L59-F69 HydrophobicContact CD1-CZ 4.08Å; L59-R295 HydrophobicContact CD1-CB 4.41Å; L59-F299 HydrophobicContact CD2-CB 4.11Å; L59-F299 HydrophobicContact CD2-CD1 4.18Å; L59-F299 HydrophobicContact CD2-CD2 3.85Å; L59-F299 HydrophobicContact CD2-CE2 4.46Å; L59-F299 HydrophobicContact CD2-CG 3.73Å; L59-F299 HydrophobicContact CG-CB 4.2Å; L59-F299 HydrophobicContact CG-CG 4.35Å; L59-L312 HydrophobicContact CD1-CD1 4.07Å; L59-L312 HydrophobicContact CD1-CD2 3.81Å
60S97Very high97.3Very high10 Ų1054.8 Ų54.87%0.0726%0.263CS..Hα-helixtrans-53.2-42.1177-61.80000113K56 S57 Q58 E62 N64 M65 I67K56-S60 WeakPolarHBondContact CE-OG 3.49Å; S57-S60 VanDerWaalsContact O-CB 3.32Å; S57-S60 WeakPolarHBondContact O-CB 3.4Å; S57-S60 PolarHBondContact O-N 2.87Å; S57-S60 PolarHBondContact O-OG 3.38Å; Q58-S60 PolarHBondContact O-N 3.3Å; Q58-S60 VanDerWaalsContact O-N 3.07Å; S60-E62 PolarHBondContact O-N 3.33Å; S60-N64 PolarHBondContact O-N 3.3Å; S60-M65 CarbonylContact C-O 3.55Å; S60-M65 VanDerWaalsContact C-O 3.31Å; S60-M65 WeakPolarHBondContact CA-O 3.24Å; S60-M65 WeakPolarHBondContact CB-O 3.18Å; S60-M65 PolarHBondContact O-N 3.42Å; S60-M65 VanDerWaalsContact O-N 3.16Å; S60-M65 PolarHBondContact OG-O 3.46Å; S60-I67 PolarHBondContact OG-N 3.23Å; S60-I67 PolarHBondContact OG-O 3.23Å
61L94.2Very high97.3Very high152 Ų15252.5 Ų52.580%0.79625%0.25SS*.Hα-helixtrans-67.4-37.9-176.5-170.572.9000111.9Q58 L59Q58-L61 PolarHBondContact O-N 3.47Å; L59-L61 PolarHBondContact O-N 3.39Å
62E94.5Very high97.3Very high94 Ų9446.9 Ų46.944%0.43923%0.228SC..Hα-helixtrans-69.2-40.4-176.2-178.9178.2-17300112.3L59 S60 R295L59-E62 WeakPolarHBondContact CD2-OE2 3.35Å; L59-E62 PolarHBondContact O-N 2.86Å; S60-E62 PolarHBondContact O-N 3.33Å; E62-R295 IonicContact OE1-CZ 3.59Å; E62-R295 IonicContact OE1-NH2 2.85Å; E62-R295 PolarHBondContact OE1-NH2 2.97Å; E62-R295 IonicContact OE2-CZ 3.4Å; E62-R295 IonicContact OE2-NE 3.25Å; E62-R295 IonicContact OE2-NH2 2.69Å; E62-R295 PolarHBondContact OE2-NH2 3.45Å
63Y95.5Very high97.3Very high43 Ų4348.1 Ų48.117%0.16923%0.234CC..Hα-helixtrans-94.12.7-177.5-61.1-69.6000113.5L59 M65 I67 L312 I315 M316L59-Y63 HydrophobicContact CB-CD2 4.23Å; L59-Y63 HydrophobicContact CB-CE2 4.15Å; L59-Y63 HydrophobicContact CD2-CE2 4.4Å; L59-Y63 VanDerWaalsContact O-CD2 3.31Å; L59-Y63 WeakPolarHBondContact O-CD2 3.42Å; L59-Y63 PolarHBondContact O-N 3.07Å; Y63-M65 WeakPolarHBondContact O-CG 3.49Å; Y63-M65 PolarHBondContact O-N 2.81Å; Y63-I67 HydrophobicContact CD2-CD1 3.72Å; Y63-I67 HydrophobicContact CG-CD1 4.22Å; Y63-L312 HydrophobicContact CE2-CD1 4.49Å; Y63-I315 HydrophobicContact CD1-CG2 3.87Å; Y63-I315 HydrophobicContact CD2-CG2 3.95Å; Y63-I315 HydrophobicContact CE1-CG2 4.45Å; Y63-I315 HydrophobicContact CG-CG2 3.62Å; Y63-M316 HydrophobicContact CE1-CG 4.31Å; Y63-M316 WeakPolarHBondContact OH-CG 3.33Å
64N96.8Very high97.3Very high114 Ų11449.8 Ų49.861%0.6124%0.24SC*.THydrogen-bonded Turntrans5141-173.4-66.1-50.2000112.5S60 I324 G325S60-N64 PolarHBondContact O-N 3.3Å; N64-I324 HydrophobicContact CB-CG2 4.08Å; N64-G325 PolarHBondContact O-N 3.44Å
65M98.1Very high97.3Very high7 Ų749.6 Ų49.63%0.03424%0.238CC..SBendtrans-135.9146.4178.7-63.4-179-166.800108.8S60 Y63 I67 I315 L323 I324 V328S60-M65 CarbonylContact C-O 3.55Å; S60-M65 VanDerWaalsContact C-O 3.31Å; S60-M65 WeakPolarHBondContact CA-O 3.24Å; S60-M65 WeakPolarHBondContact CB-O 3.18Å; S60-M65 PolarHBondContact O-N 3.42Å; S60-M65 VanDerWaalsContact O-N 3.16Å; S60-M65 PolarHBondContact OG-O 3.46Å; Y63-M65 WeakPolarHBondContact O-CG 3.49Å; Y63-M65 PolarHBondContact O-N 2.81Å; M65-I67 HydrophobicContact CB-CD1 4.37Å; M65-I67 HydrophobicContact CB-CG1 3.82Å; M65-I67 PolarHBondContact O-N 3.2Å; M65-I315 HydrophobicContact SD-CD1 3.76Å; M65-I315 HydrophobicContact SD-CG2 4.31Å; M65-L323 HydrophobicContact CE-CB 3.86Å; M65-L323 WeakPolarHBondContact CG-O 3.17Å; M65-L323 HydrophobicContact SD-CB 3.86Å; M65-I324 HydrophobicContact CE-CG1 3.85Å; M65-V328 HydrophobicContact SD-CG2 4.35Å
66D98.4Very high97.3Very high54 Ų5446.1 Ų46.129%0.28923%0.228SC..EExtended strand (participates in β ladder)trans-81.685.5170.4-92.615.5000109.1K56 Y68 K326 K327 V328K56-D66 VanDerWaalsContact CE-OD1 3.3Å; K56-D66 WeakPolarHBondContact CE-OD1 3.41Å; K56-D66 IonicContact NZ-OD1 2.75Å; K56-D66 PolarHBondContact NZ-OD1 3.25Å; K56-D66 IonicContact NZ-OD2 2.76Å; K56-D66 PolarHBondContact NZ-OD2 2.88Å; D66-Y68 HydrophobicContact CB-CE2 4.18Å; D66-Y68 WeakPolarHBondContact O-CD2 3.36Å; D66-K326 PolarHBondContact N-O 3.39Å; D66-K327 HydrophobicContact CB-CB 4.37Å; D66-K327 HydrophobicContact CB-CG 3.69Å; D66-K327 WeakPolarHBondContact O-CA 3.38Å; D66-V328 PolarHBondContact O-N 2.95Å
67I98.6Very high97.2Very high0 Ų041.2 Ų41.20%021%0.207CC..EExtended strand (participates in β ladder)trans-85.1126.7-174.8-59.1173.4000110.2K56 S57 S60 Y63 M65 F69 I315 V328K56-I67 CarbonylContact C-O 3.51Å; K56-I67 WeakPolarHBondContact CA-O 3.38Å; S57-I67 PolarHBondContact N-O 3.14Å; S60-I67 PolarHBondContact OG-N 3.23Å; S60-I67 PolarHBondContact OG-O 3.23Å; Y63-I67 HydrophobicContact CD2-CD1 3.72Å; Y63-I67 HydrophobicContact CG-CD1 4.22Å; M65-I67 HydrophobicContact CB-CD1 4.37Å; M65-I67 HydrophobicContact CB-CG1 3.82Å; M65-I67 PolarHBondContact O-N 3.2Å; I67-F69 HydrophobicContact CG2-CD1 4.43Å; I67-F69 HydrophobicContact CG2-CE1 3.92Å; I67-F69 HydrophobicContact CG2-CZ 4.03Å; I67-I315 HydrophobicContact CD1-CG2 3.98Å; I67-V328 CarbonylContact C-O 3.32Å; I67-V328 WeakPolarHBondContact CA-O 3.44Å
68Y98.8Very high97.2Very high39 Ų3941.3 Ų41.315%0.15321%0.209CC..EExtended strand (participates in β ladder)trans-115.4138.8172.4-69-106.2000110K55 K56 D66 V196 K327 V328 V329 C330K55-Y68 CarbonylContact O-C 3.31Å; K55-Y68 WeakPolarHBondContact O-CA 3.33Å; K56-Y68 HydrophobicContact CB-CD1 3.97Å; K56-Y68 HydrophobicContact CB-CE1 3.65Å; K56-Y68 HydrophobicContact CB-CE2 4.37Å; K56-Y68 HydrophobicContact CB-CG 4.44Å; K56-Y68 HydrophobicContact CD-CE2 4.44Å; K56-Y68 HydrophobicContact CG-CE1 4.41Å; K56-Y68 HydrophobicContact CG-CE2 4.27Å; K56-Y68 VanDerWaalsContact N-CD1 3.29Å; D66-Y68 HydrophobicContact CB-CE2 4.18Å; D66-Y68 WeakPolarHBondContact O-CD2 3.36Å; Y68-V196 HydrophobicContact CD1-CG1 4.48Å; Y68-V196 HydrophobicContact CD1-CG2 3.62Å; Y68-V196 HydrophobicContact CD2-CG1 4.3Å; Y68-V196 HydrophobicContact CE1-CG1 4.47Å; Y68-V196 HydrophobicContact CE1-CG2 4.09Å; Y68-V196 HydrophobicContact CE2-CG1 4.29Å; Y68-V196 HydrophobicContact CG-CG1 4.43Å; Y68-V196 HydrophobicContact CG-CG2 3.95Å; Y68-K327 HydrophobicContact CE2-CG 4.41Å; Y68-V328 PolarHBondContact N-O 2.79Å; Y68-V329 CarbonylContact O-C 3.52Å; Y68-V329 WeakPolarHBondContact O-CA 3.34Å; Y68-C330 PolarHBondContact O-N 2.8Å
69F98.8Very high97.5Very high0 Ų034.3 Ų34.30%018%0.176CC..EExtended strand (participates in β ladder)trans-105.9118.2175.3-69.8-49.1000111.5C54 K55 S57 L59 I67 K71 L296 E300 L312 C330 L332C54-F69 VanDerWaalsContact CA-O 3.27Å; C54-F69 WeakPolarHBondContact CA-O 3.33Å; K55-F69 PolarHBondContact N-O 3.11Å; K55-F69 PolarHBondContact O-N 3.29Å; S57-F69 WeakPolarHBondContact OG-CE2 3.46Å; L59-F69 HydrophobicContact CD1-CE2 4.26Å; L59-F69 HydrophobicContact CD1-CZ 4.08Å; I67-F69 HydrophobicContact CG2-CD1 4.43Å; I67-F69 HydrophobicContact CG2-CE1 3.92Å; I67-F69 HydrophobicContact CG2-CZ 4.03Å; F69-K71 HydrophobicContact CB-CG 4.2Å; F69-K71 PolarHBondContact O-N 2.77Å; F69-L296 HydrophobicContact CD2-CD2 4.47Å; F69-L296 HydrophobicContact CE1-CD2 4.36Å; F69-L296 HydrophobicContact CE2-CD2 3.93Å; F69-L296 HydrophobicContact CZ-CD2 3.9Å; F69-E300 HydrophobicContact CD2-CG 3.8Å; F69-E300 HydrophobicContact CE2-CG 3.58Å; F69-L312 HydrophobicContact CE1-CB 4.27Å; F69-L312 HydrophobicContact CE1-CD1 4.37Å; F69-L312 HydrophobicContact CZ-CD1 4.08Å; F69-L312 HydrophobicContact CZ-CD2 4.13Å; F69-L312 HydrophobicContact CZ-CG 4.48Å; F69-C330 WeakPolarHBondContact CA-O 3.41Å; F69-C330 HydrophobicContact CD1-CB 3.63Å; F69-C330 HydrophobicContact CE1-CB 3.67Å; F69-L332 HydrophobicContact CB-CD1 3.71Å; F69-L332 HydrophobicContact CB-CG 4.12Å; F69-L332 HydrophobicContact CD1-CD1 3.79Å; F69-L332 HydrophobicContact CD1-CD2 3.86Å; F69-L332 HydrophobicContact CD1-CG 3.78Å; F69-L332 HydrophobicContact CD2-CD1 4.2Å; F69-L332 HydrophobicContact CE1-CD1 4.49Å; F69-L332 HydrophobicContact CE1-CD2 4.12Å; F69-L332 HydrophobicContact CG-CD1 3.65Å; F69-L332 HydrophobicContact CG-CG 4.1Å
70K98.9Very high97.6Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-82.4103.1166.5-176.561.9173.3173.50108.8T52 C54 E72 I188 E191 I192 V329 C330 I331 L332T52-K70 PolarHBondContact O-NZ 3.4Å; T52-K70 WeakPolarHBondContact OG1-CE 3.39Å; T52-K70 PolarHBondContact OG1-NZ 3.18Å; C54-K70 HydrophobicContact CB-CD 3.92Å; K70-E72 HydrophobicContact CG-CG 4.24Å; K70-E72 PolarHBondContact O-N 3.27Å; K70-I188 HydrophobicContact CG-CG2 4.05Å; K70-E191 WeakPolarHBondContact CE-OE2 3.49Å; K70-E191 IonicContact NZ-OE2 3.51Å; K70-E191 PolarHBondContact NZ-OE2 3.49Å; K70-I192 HydrophobicContact CB-CD1 4.3Å; K70-I192 HydrophobicContact CB-CG1 4.28Å; K70-I192 HydrophobicContact CD-CG1 4.09Å; K70-I192 HydrophobicContact CG-CD1 4.18Å; K70-I192 HydrophobicContact CG-CG1 4.02Å; K70-V329 HydrophobicContact CB-CG1 4.08Å; K70-C330 PolarHBondContact N-O 2.58Å; K70-I331 HydrophobicContact CB-CG1 4.36Å; K70-L332 PolarHBondContact O-N 2.77Å
71K98.6Very high97.7Very high25 Ų2536 Ų3611%0.10918%0.182CC..  trans-85.964.2-165.6-59.1-165.5176.3-1620112.8P53 F69 F73 L74 E300P53-K71 PolarHBondContact O-N 3.3Å; F69-K71 HydrophobicContact CB-CG 4.2Å; F69-K71 PolarHBondContact O-N 2.77Å; K71-F73 HydrophobicContact CB-CD1 4.14Å; K71-F73 HydrophobicContact CB-CE1 3.61Å; K71-F73 HydrophobicContact CB-CZ 4.09Å; K71-F73 HydrophobicContact CD-CE1 4.06Å; K71-F73 HydrophobicContact CD-CZ 4Å; K71-F73 HydrophobicContact CG-CE1 3.82Å; K71-F73 HydrophobicContact CG-CZ 4.26Å; K71-F73 PolarHBondContact O-N 3.17Å; K71-L74 HydrophobicContact CB-CD1 3.79Å; K71-L74 HydrophobicContact CB-CG 4.11Å; K71-L74 HydrophobicContact CD-CD1 4.24Å; K71-L74 WeakPolarHBondContact O-CB 3.39Å; K71-L74 PolarHBondContact O-N 3.14Å; K71-L74 VanDerWaalsContact O-N 3.07Å; K71-E300 IonicContact NZ-OE2 3.94Å; K71-E300 PolarHBondContact NZ-OE2 2.66Å
72E98.8Very high97.9Very high0 Ų028.8 Ų28.80%014%0.144CC..G310 helixtrans-67.5-19.9-179.1-72.1-65.8110.200114.2T52 K70 L74 Q75 S79 F80 R83 I188 I331 L332T52-E72 WeakPolarHBondContact CB-OE1 3.4Å; T52-E72 VanDerWaalsContact CG2-OE1 3.28Å; T52-E72 WeakPolarHBondContact CG2-OE1 3.41Å; T52-E72 PolarHBondContact OG1-OE1 3.25Å; K70-E72 HydrophobicContact CG-CG 4.24Å; K70-E72 PolarHBondContact O-N 3.27Å; E72-L74 PolarHBondContact O-N 2.86Å; E72-L74 VanDerWaalsContact O-N 3.09Å; E72-Q75 PolarHBondContact O-N 3.38Å; E72-Q75 VanDerWaalsContact O-N 3.07Å; E72-S79 CarbonylContact O-C 3.58Å; E72-S79 WeakPolarHBondContact O-CA 3.49Å; E72-F80 HydrophobicContact CB-CB 3.78Å; E72-F80 HydrophobicContact CG-CB 3.89Å; E72-F80 WeakPolarHBondContact OE2-CA 3.37Å; E72-F80 WeakPolarHBondContact OE2-CB 3.41Å; E72-R83 IonicContact OE1-CZ 3.18Å; E72-R83 IonicContact OE1-NE 3.72Å; E72-R83 PolarHBondContact OE1-NE 2.84Å; E72-R83 IonicContact OE1-NH2 3.65Å; E72-R83 PolarHBondContact OE1-NH2 2.98Å; E72-R83 IonicContact OE2-CZ 2.98Å; E72-R83 IonicContact OE2-NE 3.51Å; E72-R83 PolarHBondContact OE2-NE 2.81Å; E72-R83 IonicContact OE2-NH2 3.9Å; E72-I188 HydrophobicContact CG-CD1 4.01Å; E72-I188 HydrophobicContact CG-CG1 4.41Å; E72-I331 HydrophobicContact CG-CG2 4.35Å; E72-L332 WeakPolarHBondContact CB-O 3.43Å; E72-L332 PolarHBondContact N-O 3.21Å; E72-L332 VanDerWaalsContact N-O 3.11Å
73F98Very high98.1Very high25 Ų2524.3 Ų24.311%0.1112%0.123CC..G310 helixtrans-60.5-13.2168.572.4-92.5000113.9K71 Q75 G78 S302 V304 L332 G334K71-F73 HydrophobicContact CB-CD1 4.14Å; K71-F73 HydrophobicContact CB-CE1 3.61Å; K71-F73 HydrophobicContact CB-CZ 4.09Å; K71-F73 HydrophobicContact CD-CE1 4.06Å; K71-F73 HydrophobicContact CD-CZ 4Å; K71-F73 HydrophobicContact CG-CE1 3.82Å; K71-F73 HydrophobicContact CG-CZ 4.26Å; K71-F73 PolarHBondContact O-N 3.17Å; F73-Q75 VanDerWaalsContact C-N 3.34Å; F73-G78 WeakPolarHBondContact O-CA 2.93Å; F73-S302 WeakPolarHBondContact CZ-OG 3.23Å; F73-V304 HydrophobicContact CD1-CG2 3.83Å; F73-V304 HydrophobicContact CE1-CG2 3.9Å; F73-V304 HydrophobicContact CG-CG2 4.24Å; F73-V304 HydrophobicContact CZ-CG2 4.37Å; F73-L332 HydrophobicContact CD1-CB 3.76Å; F73-L332 HydrophobicContact CD1-CD1 4.35Å; F73-L332 HydrophobicContact CE1-CB 4.07Å; F73-L332 HydrophobicContact CE1-CD1 3.83Å; F73-L332 PolarHBondContact N-O 3.32Å; F73-L332 VanDerWaalsContact N-O 3.11Å; F73-G334 VanDerWaalsContact CB-C 3.46Å
74L98.5Very high98.2Very high78 Ų7822.2 Ų22.241%0.40812%0.115SC..G310 helixtrans-85.91.6174.7-63.9178000114I50 P53 K71 E72I50-L74 VanDerWaalsContact CD1-O 3.27Å; I50-L74 WeakPolarHBondContact CD1-O 3.43Å; P53-L74 HydrophobicContact CG-CD1 4.18Å; K71-L74 HydrophobicContact CB-CD1 3.79Å; K71-L74 HydrophobicContact CB-CG 4.11Å; K71-L74 HydrophobicContact CD-CD1 4.24Å; K71-L74 WeakPolarHBondContact O-CB 3.39Å; K71-L74 PolarHBondContact O-N 3.14Å; K71-L74 VanDerWaalsContact O-N 3.07Å; E72-L74 PolarHBondContact O-N 2.86Å; E72-L74 VanDerWaalsContact O-N 3.09Å
75Q98.5Very high98.3Very high7 Ų716.8 Ų16.83%0.0339%0.086CC..SBendtrans-59.2160.4166-88.8-48.1-39.900111.9I50 T52 E72 F73 T77 G78 S79 D82I50-Q75 PolarHBondContact O-NE2 3.38Å; T52-Q75 HydrophobicContact CG2-CG 4.44Å; E72-Q75 PolarHBondContact O-N 3.38Å; E72-Q75 VanDerWaalsContact O-N 3.07Å; F73-Q75 VanDerWaalsContact C-N 3.34Å; Q75-T77 VanDerWaalsContact C-N 3.25Å; Q75-T77 PolarHBondContact O-N 3.09Å; Q75-G78 WeakPolarHBondContact O-CA 3.16Å; Q75-G78 PolarHBondContact O-N 3.3Å; Q75-S79 WeakPolarHBondContact CB-O 3.41Å; Q75-S79 WeakPolarHBondContact CG-O 3.43Å; Q75-D82 HydrophobicContact CB-CB 4.36Å; Q75-D82 HydrophobicContact CG-CB 4.02Å
76V97.1Very high98.3Very high64 Ų6418 Ų1839%0.3889%0.09SC..THydrogen-bonded Turntrans-59.6-38.8-175.8-177.90000111.7I50 G78 D82 Y115I50-V76 HydrophobicContact CD1-CG2 3.83Å; I50-V76 HydrophobicContact CG1-CG2 4.35Å; V76-G78 VanDerWaalsContact C-N 3.3Å; V76-D82 PolarHBondContact N-OD2 3.21Å; V76-Y115 HydrophobicContact CB-CE1 3.86Å; V76-Y115 HydrophobicContact CG1-CE1 3.85Å; V76-Y115 HydrophobicContact CG1-CE2 3.85Å; V76-Y115 VanDerWaalsContact CG1-CZ 3.45Å; V76-Y115 WeakPolarHBondContact CG1-OH 3.44Å; V76-Y115 HydrophobicContact CG2-CE1 4.36Å
77T97.1Very high98.4Very high0 Ų015.4 Ų15.40%08%0.076CC..THydrogen-bonded Turntrans-85.7-1176.173.20000114.3Q75 D82 I111 S112 Y115 R139 N336Q75-T77 VanDerWaalsContact C-N 3.25Å; Q75-T77 PolarHBondContact O-N 3.09Å; T77-D82 VanDerWaalsContact CB-OD1 3.29Å; T77-D82 WeakPolarHBondContact CB-OD1 3.25Å; T77-D82 WeakPolarHBondContact CG2-OD1 3.44Å; T77-D82 PolarHBondContact N-OD2 2.76Å; T77-D82 VanDerWaalsContact OG1-CG 3.26Å; T77-D82 PolarHBondContact OG1-OD1 3.18Å; T77-D82 PolarHBondContact OG1-OD2 2.92Å; T77-I111 HydrophobicContact CG2-CG2 4.06Å; T77-S112 PolarHBondContact OG1-OG 3.25Å; T77-S112 VanDerWaalsContact OG1-OG 3.1Å; T77-Y115 VanDerWaalsContact CG2-CB 3.49Å; T77-Y115 HydrophobicContact CG2-CD1 3.66Å; T77-Y115 HydrophobicContact CG2-CG 3.67Å; T77-R139 PolarHBondContact O-NH2 3.22Å; T77-N336 PolarHBondContact O-ND2 3.14Å; T77-N336 PolarHBondContact O-OD1 2.9Å; T77-N336 VanDerWaalsContact O-OD1 3.13Å
78G97Very high98.3Very high8 Ų815.5 Ų15.58%0.0828%0.077CC..SBendtrans86.916.2179.400000114.7F73 Q75 V76 G334 G335F73-G78 WeakPolarHBondContact O-CA 2.93Å; Q75-G78 WeakPolarHBondContact O-CA 3.16Å; Q75-G78 PolarHBondContact O-N 3.3Å; V76-G78 VanDerWaalsContact C-N 3.3Å; G78-G334 CarbonylContact O-C 3.58Å; G78-G334 VanDerWaalsContact O-CA 3.27Å; G78-G334 WeakPolarHBondContact O-CA 3.36Å; G78-G335 PolarHBondContact O-N 2.96Å
79S98Very high98.3Very high0 Ų013.8 Ų13.80%07%0.07CC..BIsolated β-bridgetrans-159.5167.2175.178.30000114.1E72 Q75 K81 N108 S333E72-S79 CarbonylContact O-C 3.58Å; E72-S79 WeakPolarHBondContact O-CA 3.49Å; Q75-S79 WeakPolarHBondContact CB-O 3.41Å; Q75-S79 WeakPolarHBondContact CG-O 3.43Å; S79-K81 PolarHBondContact O-N 3.17Å; S79-K81 PolarHBondContact OG-N 2.89Å; S79-N108 WeakPolarHBondContact OG-CB 3.05Å; S79-S333 VanDerWaalsContact CA-O 3.31Å; S79-S333 WeakPolarHBondContact CA-O 3.38Å; S79-S333 WeakPolarHBondContact CB-O 3Å
80F98.6Very high98.3Very high18 Ų1816.5 Ų16.58%0.0799%0.085CC..THydrogen-bonded Turntrans-58.7-19.5175.680.9-85.6000115.4E72 D82 R83 Q185 I188 L211 S333E72-F80 HydrophobicContact CB-CB 3.78Å; E72-F80 HydrophobicContact CG-CB 3.89Å; E72-F80 WeakPolarHBondContact OE2-CA 3.37Å; E72-F80 WeakPolarHBondContact OE2-CB 3.41Å; F80-D82 PolarHBondContact O-N 3.21Å; F80-R83 PolarHBondContact O-N 2.94Å; F80-R83 VanDerWaalsContact O-N 3.12Å; F80-Q185 HydrophobicContact CD2-CB 4.45Å; F80-Q185 HydrophobicContact CD2-CG 4.14Å; F80-Q185 HydrophobicContact CE2-CB 4.43Å; F80-Q185 HydrophobicContact CE2-CG 3.87Å; F80-Q185 PolarHBondContact O-OE1 3.37Å; F80-I188 HydrophobicContact CB-CD1 3.79Å; F80-I188 HydrophobicContact CD2-CD1 4.29Å; F80-I188 HydrophobicContact CG-CD1 4.43Å; F80-L211 HydrophobicContact CD1-CD2 4.47Å; F80-L211 HydrophobicContact CD2-CB 4.4Å; F80-L211 HydrophobicContact CD2-CD1 3.94Å; F80-L211 HydrophobicContact CD2-CD2 4.33Å; F80-L211 HydrophobicContact CD2-CG 4.45Å; F80-L211 HydrophobicContact CE1-CD2 4.29Å; F80-L211 HydrophobicContact CE2-CB 3.67Å; F80-L211 HydrophobicContact CE2-CD1 4.07Å; F80-L211 HydrophobicContact CE2-CD2 4.15Å; F80-L211 HydrophobicContact CE2-CG 4.17Å; F80-L211 HydrophobicContact CG-CD2 4.47Å; F80-L211 HydrophobicContact CZ-CB 3.9Å; F80-L211 HydrophobicContact CZ-CD2 4.1Å; F80-L211 HydrophobicContact CZ-CG 4.48Å; F80-S333 WeakPolarHBondContact CD1-O 3.47Å; F80-S333 PolarHBondContact N-O 3.38Å
81K98.2Very high98.2Very high28 Ų2820.3 Ų20.312%0.12210%0.102CC..Hα-helixtrans-61.8-18.7-172.4-71.4-67-171.8-173.40113.5S79 R83 A85 N108 H109 S112 G175S79-K81 PolarHBondContact O-N 3.17Å; S79-K81 PolarHBondContact OG-N 2.89Å; K81-R83 PolarHBondContact O-N 2.74Å; K81-A85 VanDerWaalsContact O-CB 3.24Å; K81-A85 WeakPolarHBondContact O-CB 3.12Å; K81-A85 PolarHBondContact O-N 3.3Å; K81-N108 HydrophobicContact CB-CB 4.39Å; K81-N108 HydrophobicContact CG-CB 3.83Å; K81-H109 HydrophobicContact CD-CB 4.27Å; K81-H109 HydrophobicContact CG-CB 4.46Å; K81-S112 VanDerWaalsContact C-OG 3.24Å; K81-S112 VanDerWaalsContact CB-OG 3.22Å; K81-S112 WeakPolarHBondContact CB-OG 3.26Å; K81-G175 PolarHBondContact NZ-O 3.29Å
82D98.7Very high98.2Very high0 Ų020.2 Ų20.20%010%0.103CC..Hα-helixtrans-53.3-38.7174.1-78.612.3000111.9V49 Q75 V76 T77 F80 A85 R86 S112 H116V49-D82 HydrophobicContact CG1-CB 4.28Å; Q75-D82 HydrophobicContact CB-CB 4.36Å; Q75-D82 HydrophobicContact CG-CB 4.02Å; V76-D82 PolarHBondContact N-OD2 3.21Å; T77-D82 VanDerWaalsContact CB-OD1 3.29Å; T77-D82 WeakPolarHBondContact CB-OD1 3.25Å; T77-D82 WeakPolarHBondContact CG2-OD1 3.44Å; T77-D82 PolarHBondContact N-OD2 2.76Å; T77-D82 VanDerWaalsContact OG1-CG 3.26Å; T77-D82 PolarHBondContact OG1-OD1 3.18Å; T77-D82 PolarHBondContact OG1-OD2 2.92Å; F80-D82 PolarHBondContact O-N 3.21Å; D82-A85 PolarHBondContact O-N 3Å; D82-R86 WeakPolarHBondContact O-CB 3.43Å; D82-R86 PolarHBondContact O-N 3.22Å; D82-S112 PolarHBondContact N-OG 3.11Å; D82-S112 VanDerWaalsContact N-OG 3.12Å; D82-S112 VanDerWaalsContact OD1-CB 3.24Å; D82-S112 WeakPolarHBondContact OD1-CB 2.99Å; D82-S112 PolarHBondContact OD1-OG 3.47Å; D82-H116 WeakPolarHBondContact CA-NE2 3.26Å; D82-H116 WeakPolarHBondContact CB-NE2 3.44Å; D82-H116 VanDerWaalsContact CG-NE2 3.33Å; D82-H116 PolarHBondContact O-CD2 2.76Å; D82-H116 PolarHBondContact O-NE2 3.48Å; D82-H116 IonicContact OD1-NE2 2.93Å; D82-H116 IonicContact OD2-NE2 3.7Å
83R98.8Very high98.1Very high0 Ų023.9 Ų23.90%013%0.125CC..Hα-helixtrans-66.8-56.4-174.8-59168.6175.8-82.61.2112.3I45 V49 E72 F80 K81 N87 G184 T187 I188 E191I45-R83 HydrophobicContact CD1-CB 3.73Å; I45-R83 HydrophobicContact CD1-CG 4.01Å; V49-R83 HydrophobicContact CG1-CG 4.31Å; V49-R83 HydrophobicContact CG2-CG 4.5Å; E72-R83 IonicContact OE1-CZ 3.18Å; E72-R83 IonicContact OE1-NE 3.72Å; E72-R83 PolarHBondContact OE1-NE 2.84Å; E72-R83 IonicContact OE1-NH2 3.65Å; E72-R83 PolarHBondContact OE1-NH2 2.98Å; E72-R83 IonicContact OE2-CZ 2.98Å; E72-R83 IonicContact OE2-NE 3.51Å; E72-R83 PolarHBondContact OE2-NE 2.81Å; E72-R83 IonicContact OE2-NH2 3.9Å; F80-R83 PolarHBondContact O-N 2.94Å; F80-R83 VanDerWaalsContact O-N 3.12Å; K81-R83 PolarHBondContact O-N 2.74Å; R83-N87 VanDerWaalsContact O-CB 3.32Å; R83-N87 WeakPolarHBondContact O-CB 3.31Å; R83-N87 PolarHBondContact O-N 3.25Å; R83-G184 VanDerWaalsContact CB-O 3.3Å; R83-G184 WeakPolarHBondContact CB-O 3.45Å; R83-T187 WeakPolarHBondContact CD-OG1 3.37Å; R83-T187 PolarHBondContact NH1-OG1 2.99Å; R83-I188 VanDerWaalsContact CD-CG1 3.41Å; R83-I188 VanDerWaalsContact NE-CG1 3.28Å; R83-E191 IonicContact CZ-OE1 2.8Å; R83-E191 IonicContact CZ-OE2 3.84Å; R83-E191 VanDerWaalsContact NH1-CD 3.31Å; R83-E191 IonicContact NH1-OE1 3.43Å; R83-E191 PolarHBondContact NH1-OE1 2.78Å; R83-E191 IonicContact NH1-OE2 2.81Å; R83-E191 VanDerWaalsContact NH2-CD 3.31Å; R83-E191 IonicContact NH2-OE1 3.77Å; R83-E191 PolarHBondContact NH2-OE1 2.89Å; R83-E191 IonicContact NH2-OE2 2.7Å; R83-E191 PolarHBondContact NH2-OE2 3.3Å
84G98.6Very high98Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-61.2-43.9174.800000112.4R86 N87 A88 I181G84-R86 PolarHBondContact O-N 3.25Å; G84-N87 PolarHBondContact O-N 3.41Å; G84-A88 WeakPolarHBondContact O-CB 3.49Å; G84-A88 PolarHBondContact O-N 3.07Å; G84-I181 VanDerWaalsContact C-CD1 3.46Å; G84-I181 WeakPolarHBondContact O-CD1 3.49Å
85A98.4Very high97.9Very high0 Ų027.9 Ų27.90%015%0.154CC..Hα-helixtrans-61.1-47.8-178.600000111.1K81 D82 A88 L89 L113K81-A85 VanDerWaalsContact O-CB 3.24Å; K81-A85 WeakPolarHBondContact O-CB 3.12Å; K81-A85 PolarHBondContact O-N 3.3Å; D82-A85 PolarHBondContact O-N 3Å; A85-A88 PolarHBondContact O-N 2.6Å; A85-L89 WeakPolarHBondContact O-CB 3.36Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.42Å; A85-L89 PolarHBondContact O-N 3.3Å; A85-L113 HydrophobicContact CB-CD2 4.1Å; A85-L113 HydrophobicContact CB-CG 4.27Å
86R98.6Very high97.8Very high32 Ų3229.8 Ų29.812%0.12116%0.163CC..Hα-helixtrans-62.4-45.8176.7-172.1177-17885.25.8111.8I45 G48 V49 D82 G84 L89 L90I45-R86 HydrophobicContact CB-CG 4.39Å; I45-R86 HydrophobicContact CG2-CB 4.15Å; I45-R86 HydrophobicContact CG2-CG 4.11Å; G48-R86 WeakPolarHBondContact O-CD 3.26Å; V49-R86 HydrophobicContact CG1-CB 4.44Å; D82-R86 WeakPolarHBondContact O-CB 3.43Å; D82-R86 PolarHBondContact O-N 3.22Å; G84-R86 PolarHBondContact O-N 3.25Å; R86-L89 PolarHBondContact O-N 3.05Å; R86-L90 HydrophobicContact CG-CD1 3.76Å; R86-L90 HydrophobicContact CG-CG 4.31Å; R86-L90 WeakPolarHBondContact O-CB 3.2Å; R86-L90 WeakPolarHBondContact O-CG 3.16Å; R86-L90 PolarHBondContact O-N 2.93Å
87N98.8Very high97.8Very high0 Ų027.8 Ų27.80%015%0.153CC..Hα-helixtrans-59.6-48.8179-173.441.7000111.6A41 I45 R83 G84 L89 L90 Q91 H180 S183 G184A41-N87 HydrophobicContact CB-CB 4.43Å; A41-N87 WeakPolarHBondContact CB-ND2 3.32Å; A41-N87 WeakPolarHBondContact CB-OD1 3.49Å; I45-N87 HydrophobicContact CG2-CB 3.75Å; R83-N87 VanDerWaalsContact O-CB 3.32Å; R83-N87 WeakPolarHBondContact O-CB 3.31Å; R83-N87 PolarHBondContact O-N 3.25Å; G84-N87 PolarHBondContact O-N 3.41Å; N87-L89 VanDerWaalsContact C-N 3.34Å; N87-L89 PolarHBondContact O-N 3.34Å; N87-L90 PolarHBondContact O-N 2.8Å; N87-Q91 PolarHBondContact ND2-NE2 3.22Å; N87-Q91 WeakPolarHBondContact O-CG 3.49Å; N87-Q91 PolarHBondContact O-N 2.9Å; N87-Q91 VanDerWaalsContact O-N 3.17Å; N87-Q91 PolarHBondContact OD1-NE2 2.6Å; N87-H180 PolarHBondContact ND2-O 2.87Å; N87-S183 PolarHBondContact ND2-OG 3.03Å; N87-G184 PolarHBondContact ND2-N 3.24Å
88A98.5Very high97.8Very high1 Ų136.2 Ų36.21%0.00819%0.185CC..Hα-helixtrans-61.5-41.7179.400000112.3G84 A85 Q91 I173 H180 I181G84-A88 WeakPolarHBondContact O-CB 3.49Å; G84-A88 PolarHBondContact O-N 3.07Å; A85-A88 PolarHBondContact O-N 2.6Å; A88-Q91 PolarHBondContact O-N 2.96Å; A88-I173 HydrophobicContact CB-CD1 4.22Å; A88-I173 HydrophobicContact CB-CG2 4.29Å; A88-H180 HydrophobicContact CB-CB 3.87Å; A88-I181 HydrophobicContact CB-CD1 4.05Å; A88-I181 HydrophobicContact CB-CG1 4.2Å
89L98.4Very high97.7Very high3 Ų338.7 Ų38.72%0.01619%0.192CC..Hα-helixtrans-69.6-36178.9-70.2175.8000113.2A85 R86 N87 Q91 L92 V101 L113 H116 L120 I122 I124 I173A85-L89 WeakPolarHBondContact O-CB 3.36Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.42Å; A85-L89 PolarHBondContact O-N 3.3Å; R86-L89 PolarHBondContact O-N 3.05Å; N87-L89 VanDerWaalsContact C-N 3.34Å; N87-L89 PolarHBondContact O-N 3.34Å; L89-Q91 VanDerWaalsContact C-N 3.29Å; L89-Q91 PolarHBondContact O-N 2.94Å; L89-L92 HydrophobicContact CD2-CD1 3.89Å; L89-L92 WeakPolarHBondContact O-CG 3.47Å; L89-L92 PolarHBondContact O-N 2.81Å; L89-V101 HydrophobicContact CD2-CG1 4.17Å; L89-V101 HydrophobicContact CD2-CG2 3.91Å; L89-L113 HydrophobicContact CD1-CD2 4Å; L89-L113 HydrophobicContact CD2-CD2 4.06Å; L89-L113 HydrophobicContact CG-CD2 3.96Å; L89-H116 HydrophobicContact CD1-CB 3.69Å; L89-L120 HydrophobicContact CB-CD1 3.68Å; L89-L120 HydrophobicContact CD1-CD1 4.4Å; L89-I122 HydrophobicContact CB-CD1 4.21Å; L89-I122 HydrophobicContact CD2-CD1 4.32Å; L89-I122 HydrophobicContact CD2-CG2 4.24Å; L89-I124 HydrophobicContact CD1-CD1 4.44Å; L89-I124 HydrophobicContact CD2-CD1 4.06Å; L89-I173 HydrophobicContact CD2-CD1 4.16Å
90L98.2Very high97.6Very high58 Ų5838.8 Ų38.830%0.30419%0.193SC..Hα-helixtrans-72.9-21.4178.1-74.7173.3000113.3L44 R86 N87 L120L44-L90 HydrophobicContact CD1-CB 4.21Å; L44-L90 HydrophobicContact CD1-CD1 4.14Å; L44-L90 HydrophobicContact CD2-CB 3.78Å; L44-L90 HydrophobicContact CD2-CD1 4.49Å; L44-L90 HydrophobicContact CG-CB 3.96Å; L44-L90 HydrophobicContact CG-CD1 3.81Å; L44-L90 WeakPolarHBondContact O-CD1 3.38Å; R86-L90 HydrophobicContact CG-CD1 3.76Å; R86-L90 HydrophobicContact CG-CG 4.31Å; R86-L90 WeakPolarHBondContact O-CB 3.2Å; R86-L90 WeakPolarHBondContact O-CG 3.16Å; R86-L90 PolarHBondContact O-N 2.93Å; N87-L90 PolarHBondContact O-N 2.8Å; L90-L120 HydrophobicContact CD2-CD1 3.88Å; L90-L120 HydrophobicContact CD2-CD2 3.66Å; L90-L120 HydrophobicContact CD2-CG 4.44Å; L90-L120 HydrophobicContact CG-CD1 4Å
91Q97.7Very high97.5Very high79 Ų7938 Ų3837%0.36919%0.189SC..THydrogen-bonded Turntrans-90.1-0.2177.5-69.4-165.664.300113.8L44 N87 A88 L89 H180L44-Q91 HydrophobicContact CD2-CG 3.76Å; N87-Q91 PolarHBondContact ND2-NE2 3.22Å; N87-Q91 WeakPolarHBondContact O-CG 3.49Å; N87-Q91 PolarHBondContact O-N 2.9Å; N87-Q91 VanDerWaalsContact O-N 3.17Å; N87-Q91 PolarHBondContact OD1-NE2 2.6Å; A88-Q91 PolarHBondContact O-N 2.96Å; L89-Q91 VanDerWaalsContact C-N 3.29Å; L89-Q91 PolarHBondContact O-N 2.94Å; Q91-H180 PolarHBondContact OE1-CE1 3.5Å; Q91-H180 VanDerWaalsContact OE1-CE1 3.26Å; Q91-H180 PolarHBondContact OE1-ND1 3.27Å
92L97.4Very high97.4Very high23 Ų2336.6 Ų36.612%0.1218%0.183CC..SBendtrans-64.5139.7175.3-62.5178.4000111L89 E96 A97 V101 I122 L171L89-L92 HydrophobicContact CD2-CD1 3.89Å; L89-L92 WeakPolarHBondContact O-CG 3.47Å; L89-L92 PolarHBondContact O-N 2.81Å; L92-E96 HydrophobicContact CB-CB 4.1Å; L92-E96 HydrophobicContact CD2-CB 4.07Å; L92-A97 HydrophobicContact CB-CB 4.21Å; L92-A97 HydrophobicContact CD1-CB 4.48Å; L92-V101 HydrophobicContact CD1-CG1 3.6Å; L92-V101 HydrophobicContact CD2-CG1 4.4Å; L92-I122 HydrophobicContact CD1-CD1 3.96Å; L92-I122 HydrophobicContact CD1-CG2 4.21Å; L92-L171 HydrophobicContact CD2-CD2 3.29Å
93T97.1Very high97.3Very high77 Ų7736.6 Ų36.647%0.47218%0.183SC..  trans-61156163.462.80000110E95 E96 A97T93-E95 PolarHBondContact O-N 3.42Å; T93-E95 VanDerWaalsContact O-N 3.07Å; T93-E96 WeakPolarHBondContact CB-OE2 3.21Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.27Å; T93-E96 PolarHBondContact N-OE2 2.93Å; T93-E96 PolarHBondContact O-N 3.39Å; T93-E96 VanDerWaalsContact O-N 3.12Å; T93-E96 VanDerWaalsContact OG1-CD 3.22Å; T93-E96 VanDerWaalsContact OG1-CG 3.26Å; T93-E96 WeakPolarHBondContact OG1-CG 3.38Å; T93-E96 PolarHBondContact OG1-N 3.05Å; T93-E96 PolarHBondContact OG1-OE2 2.78Å; T93-A97 WeakPolarHBondContact O-CB 3.26Å; T93-A97 PolarHBondContact O-N 2.94Å
94S96.7Very high97Very high105 Ų10538 Ų3873%0.73419%0.193SC*.Hα-helixtrans-56.2-29.6176.4-50.90000112.6R98S94-R98 WeakPolarHBondContact O-CB 3.37Å; S94-R98 PolarHBondContact O-N 3.12Å; S94-R98 VanDerWaalsContact O-N 3.13Å
95E96.4Very high96.4Very high82 Ų8239 Ų3938%0.38320%0.2SC..Hα-helixtrans-76.5-41.2177.7-174.955.3-157.900113.1T93 R98 R99T93-E95 PolarHBondContact O-N 3.42Å; T93-E95 VanDerWaalsContact O-N 3.07Å; E95-R98 PolarHBondContact O-N 2.71Å; E95-R98 IonicContact OE2-CZ 3.21Å; E95-R98 IonicContact OE2-NE 3.88Å; E95-R98 PolarHBondContact OE2-NE 2.76Å; E95-R98 IonicContact OE2-NH2 2.76Å; E95-R98 PolarHBondContact OE2-NH2 3.35Å; E95-R99 VanDerWaalsContact O-CG 3.3Å; E95-R99 WeakPolarHBondContact O-CG 3.25Å; E95-R99 PolarHBondContact O-N 3.48Å; E95-R99 PolarHBondContact O-NE 2.95Å
96E96.4Very high95.3Very high47 Ų4740.3 Ų40.322%0.2221%0.21CC..Hα-helixtrans-63.2-45.1172.7-71160149.100111.4L92 T93 R98 R99 G100L92-E96 HydrophobicContact CB-CB 4.1Å; L92-E96 HydrophobicContact CD2-CB 4.07Å; T93-E96 WeakPolarHBondContact CB-OE2 3.21Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.27Å; T93-E96 PolarHBondContact N-OE2 2.93Å; T93-E96 PolarHBondContact O-N 3.39Å; T93-E96 VanDerWaalsContact O-N 3.12Å; T93-E96 VanDerWaalsContact OG1-CD 3.22Å; T93-E96 VanDerWaalsContact OG1-CG 3.26Å; T93-E96 WeakPolarHBondContact OG1-CG 3.38Å; T93-E96 PolarHBondContact OG1-N 3.05Å; T93-E96 PolarHBondContact OG1-OE2 2.78Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 3.06Å; E96-R99 PolarHBondContact O-N 3.44Å; E96-G100 PolarHBondContact O-N 3.12Å
97A97Very high94.7Very high23 Ų2339.4 Ų39.419%0.1921%0.211CC..Hα-helixtrans-59.7-39177.400000112.1L92 T93 I122 P123L92-A97 HydrophobicContact CB-CB 4.21Å; L92-A97 HydrophobicContact CD1-CB 4.48Å; T93-A97 WeakPolarHBondContact O-CB 3.26Å; T93-A97 PolarHBondContact O-N 2.94Å; A97-I122 HydrophobicContact CB-CD1 4.02Å; A97-I122 HydrophobicContact CB-CG1 4.21Å; A97-P123 WeakPolarHBondContact O-CD 3.41Å
98R96Very high94.5Very high177 Ų17740 Ų4067%0.66821%0.214SC*.Hα-helixtrans-68.4-42.9177.5-162.3-156-33.1-122.92112.5S94 E95 E96 G100S94-R98 WeakPolarHBondContact O-CB 3.37Å; S94-R98 PolarHBondContact O-N 3.12Å; S94-R98 VanDerWaalsContact O-N 3.13Å; E95-R98 PolarHBondContact O-N 2.71Å; E95-R98 IonicContact OE2-CZ 3.21Å; E95-R98 IonicContact OE2-NE 3.88Å; E95-R98 PolarHBondContact OE2-NE 2.76Å; E95-R98 IonicContact OE2-NH2 2.76Å; E95-R98 PolarHBondContact OE2-NH2 3.35Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 3.06Å; R98-G100 VanDerWaalsContact C-N 3.33Å
99R94.9Very high94.4Very high60 Ų6040.1 Ų40.123%0.22622%0.215CC..Hα-helixtrans-65.8-40.7178.9-71.6179.4-64.4160.8-7.1110.9E95 E96 N169 L170E95-R99 VanDerWaalsContact O-CG 3.3Å; E95-R99 WeakPolarHBondContact O-CG 3.25Å; E95-R99 PolarHBondContact O-N 3.48Å; E95-R99 PolarHBondContact O-NE 2.95Å; E96-R99 PolarHBondContact O-N 3.44Å; R99-N169 WeakPolarHBondContact CD-ND2 3.49Å; R99-N169 WeakPolarHBondContact CD-O 3.27Å; R99-N169 PolarHBondContact NH1-ND2 3.21Å; R99-N169 PolarHBondContact NH1-O 3.37Å; R99-N169 PolarHBondContact NH1-OD1 3.49Å; R99-L170 WeakPolarHBondContact O-CD2 3.31Å
100G96.1Very high94.2Very high1 Ų140 Ų401%0.0121%0.214CC..  trans101170.6-177.100000112.2E96 R98 P123 L171E96-G100 PolarHBondContact O-N 3.12Å; R98-G100 VanDerWaalsContact C-N 3.33Å; G100-P123 CarbonylContact C-O 3.58Å; G100-P123 VanDerWaalsContact CA-O 3.23Å; G100-P123 WeakPolarHBondContact CA-O 3.34Å; G100-L171 PolarHBondContact O-N 3.44Å
101V97.1Very high94.2Very high1 Ų137.2 Ų37.21%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-119.1157-178-53.10000110.9L89 L92 I122 P123 I124 T125 L171 I173L89-V101 HydrophobicContact CD2-CG1 4.17Å; L89-V101 HydrophobicContact CD2-CG2 3.91Å; L92-V101 HydrophobicContact CD1-CG1 3.6Å; L92-V101 HydrophobicContact CD2-CG1 4.4Å; V101-I122 HydrophobicContact CG1-CG2 4.44Å; V101-P123 PolarHBondContact N-O 2.9Å; V101-I124 HydrophobicContact CG2-CD1 3.28Å; V101-T125 PolarHBondContact O-N 3.37Å; V101-L171 CarbonylContact C-O 3.55Å; V101-L171 VanDerWaalsContact CA-O 3.27Å; V101-L171 WeakPolarHBondContact CA-O 3.37Å; V101-L171 WeakPolarHBondContact CB-O 3.47Å; V101-L171 HydrophobicContact CG1-CB 4.32Å; V101-I173 HydrophobicContact CB-CD1 3.98Å; V101-I173 HydrophobicContact CB-CG1 4.29Å; V101-I173 HydrophobicContact CG1-CD1 3.78Å; V101-I173 HydrophobicContact CG1-CG1 4.39Å; V101-I173 HydrophobicContact CG2-CD1 4.22Å
102I96.7Very high94.2Very high0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans-129146.3175.6-175.2166.2000110.7T125 I127 A161 I164 A165 L170 L171 L172 I173I102-T125 CarbonylContact C-O 3.55Å; I102-T125 WeakPolarHBondContact CA-O 3.49Å; I102-T125 HydrophobicContact CD1-CG2 3.98Å; I102-T125 HydrophobicContact CG1-CG2 4.11Å; I102-I127 HydrophobicContact CD1-CD1 4.04Å; I102-I127 HydrophobicContact CD1-CG1 3.89Å; I102-I127 HydrophobicContact CG1-CG1 4.18Å; I102-A161 HydrophobicContact CD1-CB 4.47Å; I102-A161 HydrophobicContact CG1-CB 4.45Å; I102-I164 HydrophobicContact CD1-CB 3.78Å; I102-I164 HydrophobicContact CD1-CG2 3.54Å; I102-A165 HydrophobicContact CG2-CB 3.42Å; I102-A165 VanDerWaalsContact CG2-CB 3.42Å; I102-L170 HydrophobicContact CB-CB 4.3Å; I102-L170 HydrophobicContact CB-CD1 3.97Å; I102-L170 HydrophobicContact CD1-CD1 4.41Å; I102-L170 HydrophobicContact CG2-CB 3.8Å; I102-L170 HydrophobicContact CG2-CD1 4.22Å; I102-L171 PolarHBondContact N-O 2.89Å; I102-L172 HydrophobicContact CG2-CB 4.34Å; I102-L172 HydrophobicContact CG2-CD1 4.02Å; I102-L172 CarbonylContact O-C 3.56Å; I102-L172 VanDerWaalsContact O-CA 3.32Å; I102-L172 WeakPolarHBondContact O-CA 3.45Å; I102-I173 PolarHBondContact O-N 3.23Å
103A95.8Very high94.2Very high0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-142148.7172.400000111.1L113 T125 I126 I127A103-L113 HydrophobicContact CB-CD1 3.49Å; A103-L113 VanDerWaalsContact CB-CD1 3.49Å; A103-T125 PolarHBondContact N-O 2.79Å; A103-I126 HydrophobicContact CB-CD1 4.16Å; A103-I126 WeakPolarHBondContact O-CA 3.45Å; A103-I127 PolarHBondContact O-N 3.02Å
104C92.8Very high94.2Very high29 Ų2928.7 Ų28.720%0.19615%0.154CC..EExtended strand (participates in β ladder)trans-97.7108.7163.91730000108.9I127 S157 K158 A161C104-I127 WeakPolarHBondContact CA-O 3.46Å; C104-S157 WeakPolarHBondContact SG-CB 3.25Å; C104-K158 HydrophobicContact CB-CB 4.31Å; C104-K158 PolarHBondContact SG-N 2.69Å; C104-A161 HydrophobicContact CB-CB 3.73Å
105S86.4Confident94.3Very high21 Ų2126 Ų2615%0.14713%0.128CC..  trans-161.8127.3173.7-176.40000110.6G107 A110 I126 I127 M128S105-G107 PolarHBondContact OG-N 3.4Å; S105-G107 VanDerWaalsContact OG-N 3.14Å; S105-A110 WeakPolarHBondContact O-CB 3.27Å; S105-I126 WeakPolarHBondContact O-CG2 3.37Å; S105-I127 PolarHBondContact N-O 2.83Å; S105-I127 VanDerWaalsContact N-O 3.13Å; S105-M128 WeakPolarHBondContact O-CE 3.37Å; S105-M128 WeakPolarHBondContact O-CG 3.31Å
106A75Confident94.4Very high27 Ų2722.1 Ų22.122%0.22311%0.109CC..SBendtrans-86.610168.600000112.7S132 K136A106-S132 WeakPolarHBondContact CB-OG 3.47Å; A106-K136 WeakPolarHBondContact O-CD 3.21Å
107G85Confident94.5Very high13 Ų1319.9 Ų19.913%0.13410%0.099CC..SBendtrans-128.7-159.3-15900000114.9S105 H109 A110S105-G107 PolarHBondContact OG-N 3.4Å; S105-G107 VanDerWaalsContact OG-N 3.14Å; G107-H109 VanDerWaalsContact C-N 3.27Å; G107-H109 PolarHBondContact O-N 3.07Å; G107-A110 WeakPolarHBondContact O-CB 3.43Å; G107-A110 PolarHBondContact O-N 3.34Å; G107-A110 VanDerWaalsContact O-N 3.16Å
108N94.6Very high94.5Very high12 Ų1222 Ų226%0.06411%0.113CC..Hα-helixtrans-57.6-35.8-177.6-71.3-16.5000113.9S79 K81 A110 I111 S112 E305 N336S79-N108 WeakPolarHBondContact OG-CB 3.05Å; K81-N108 HydrophobicContact CB-CB 4.39Å; K81-N108 HydrophobicContact CG-CB 3.83Å; N108-A110 VanDerWaalsContact C-N 3.32Å; N108-A110 PolarHBondContact O-N 3.29Å; N108-I111 PolarHBondContact O-N 2.9Å; N108-S112 PolarHBondContact O-N 3.33Å; N108-S112 PolarHBondContact O-OG 3.44Å; N108-E305 PolarHBondContact ND2-OE1 3.33Å; N108-E305 PolarHBondContact ND2-OE2 3.47Å; N108-N336 VanDerWaalsContact OD1-CB 3.23Å; N108-N336 WeakPolarHBondContact OD1-CB 3.3Å; N108-N336 PolarHBondContact OD1-ND2 3.39Å
109H95.9Very high94.6Very high5 Ų518 Ų182%0.02310%0.104CC..Hα-helixtrans-60.9-40.4178.1179.860.4000112.6K81 G107 I111 S112 L113 I173 G175K81-H109 HydrophobicContact CD-CB 4.27Å; K81-H109 HydrophobicContact CG-CB 4.46Å; G107-H109 VanDerWaalsContact C-N 3.27Å; G107-H109 PolarHBondContact O-N 3.07Å; H109-I111 VanDerWaalsContact C-N 3.33Å; H109-I111 PolarHBondContact O-N 3.09Å; H109-S112 PolarHBondContact O-N 2.84Å; H109-L113 VanDerWaalsContact CE1-CD1 3.44Å; H109-L113 WeakPolarHBondContact CE1-CD1 3.41Å; H109-L113 WeakPolarHBondContact NE2-CD1 3.31Å; H109-L113 WeakPolarHBondContact O-CB 3.47Å; H109-L113 PolarHBondContact O-N 3.17Å; H109-I173 PolarHBondContact NE2-O 3.37Å; H109-I173 VanDerWaalsContact NE2-O 3.11Å; H109-G175 WeakPolarHBondContact CD2-CA 3.36Å; H109-G175 WeakPolarHBondContact CE1-CA 3.2Å; H109-G175 WeakPolarHBondContact ND1-CA 3.39Å; H109-G175 WeakPolarHBondContact NE2-CA 3.35Å; H109-G175 PolarHBondContact NE2-N 2.95Å
110A95.7Very high94.7Very high0 Ų017.6 Ų17.60%011%0.106CC..Hα-helixtrans-62.7-41.6176.900000112.3S105 G107 N108 A114 I126 M128 C140S105-A110 WeakPolarHBondContact O-CB 3.27Å; G107-A110 WeakPolarHBondContact O-CB 3.43Å; G107-A110 PolarHBondContact O-N 3.34Å; G107-A110 VanDerWaalsContact O-N 3.16Å; N108-A110 VanDerWaalsContact C-N 3.32Å; N108-A110 PolarHBondContact O-N 3.29Å; A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 3.46Å; A110-I126 HydrophobicContact CB-CD1 4.03Å; A110-I126 HydrophobicContact CB-CG1 4.16Å; A110-I126 HydrophobicContact CB-CG2 3.6Å; A110-M128 HydrophobicContact CB-CE 3.62Å; A110-C140 VanDerWaalsContact C-SG 3.54Å
111I96.9Very high94.8Very high0 Ų026.6 Ų26.60%015%0.145CC..Hα-helixtrans-65.4-47.8179.6-54.9174.2000109.7T77 N108 H109 A114 Y115 K136 R139 Y143T77-I111 HydrophobicContact CG2-CG2 4.06Å; N108-I111 PolarHBondContact O-N 2.9Å; H109-I111 VanDerWaalsContact C-N 3.33Å; H109-I111 PolarHBondContact O-N 3.09Å; I111-A114 PolarHBondContact O-N 2.9Å; I111-Y115 WeakPolarHBondContact O-CB 3.34Å; I111-Y115 PolarHBondContact O-N 2.64Å; I111-K136 HydrophobicContact CD1-CB 4.47Å; I111-K136 HydrophobicContact CD1-CG 4.32Å; I111-R139 HydrophobicContact CD1-CB 4.32Å; I111-R139 HydrophobicContact CG1-CB 4.31Å; I111-R139 HydrophobicContact CG2-CB 4.19Å; I111-Y143 HydrophobicContact CG2-CD2 4.04Å; I111-Y143 HydrophobicContact CG2-CE2 3.65Å
112S98.1Very high94.8Very high0 Ų027.4 Ų27.40%015%0.149CC..Hα-helixtrans-60.6-45.5177.1-64.60000112.9T77 K81 D82 N108 H109 Y115 H116T77-S112 PolarHBondContact OG1-OG 3.25Å; T77-S112 VanDerWaalsContact OG1-OG 3.1Å; K81-S112 VanDerWaalsContact C-OG 3.24Å; K81-S112 VanDerWaalsContact CB-OG 3.22Å; K81-S112 WeakPolarHBondContact CB-OG 3.26Å; D82-S112 PolarHBondContact N-OG 3.11Å; D82-S112 VanDerWaalsContact N-OG 3.12Å; D82-S112 VanDerWaalsContact OD1-CB 3.24Å; D82-S112 WeakPolarHBondContact OD1-CB 2.99Å; D82-S112 PolarHBondContact OD1-OG 3.47Å; N108-S112 PolarHBondContact O-N 3.33Å; N108-S112 PolarHBondContact O-OG 3.44Å; H109-S112 PolarHBondContact O-N 2.84Å; S112-Y115 PolarHBondContact O-N 3.5Å; S112-H116 WeakPolarHBondContact O-CB 3.29Å; S112-H116 PolarHBondContact O-CD2 3.37Å; S112-H116 VanDerWaalsContact O-CD2 3.24Å; S112-H116 PolarHBondContact O-N 2.76Å
113L97.8Very high94.8Very high0 Ų029.3 Ų29.30%016%0.161CC..Hα-helixtrans-62.3-47.3175.7-86.4-179.6000111.7A85 L89 A103 H109 Y115 G117 I124 I126 I173A85-L113 HydrophobicContact CB-CD2 4.1Å; A85-L113 HydrophobicContact CB-CG 4.27Å; L89-L113 HydrophobicContact CD1-CD2 4Å; L89-L113 HydrophobicContact CD2-CD2 4.06Å; L89-L113 HydrophobicContact CG-CD2 3.96Å; A103-L113 HydrophobicContact CB-CD1 3.49Å; A103-L113 VanDerWaalsContact CB-CD1 3.49Å; H109-L113 VanDerWaalsContact CE1-CD1 3.44Å; H109-L113 WeakPolarHBondContact CE1-CD1 3.41Å; H109-L113 WeakPolarHBondContact NE2-CD1 3.31Å; H109-L113 WeakPolarHBondContact O-CB 3.47Å; H109-L113 PolarHBondContact O-N 3.17Å; L113-Y115 VanDerWaalsContact C-N 3.34Å; L113-Y115 PolarHBondContact O-N 3.46Å; L113-G117 WeakPolarHBondContact O-CA 3.24Å; L113-G117 PolarHBondContact O-N 3.12Å; L113-I124 HydrophobicContact CB-CG2 4.14Å; L113-I124 WeakPolarHBondContact O-CG1 3.42Å; L113-I126 HydrophobicContact CB-CD1 4.36Å; L113-I126 HydrophobicContact CD1-CD1 4.46Å; L113-I173 HydrophobicContact CD1-CB 4.41Å; L113-I173 HydrophobicContact CD1-CG2 4.48Å; L113-I173 HydrophobicContact CD2-CD1 4.32Å
114A97.7Very high94.9Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-59.9-45.4179.100000111.3A110 I111 S118 C140A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 3.46Å; I111-A114 PolarHBondContact O-N 2.9Å; A114-S118 WeakPolarHBondContact O-CB 3.35Å; A114-S118 PolarHBondContact O-N 3.06Å; A114-C140 HydrophobicContact CB-CB 4.3Å
115Y98.2Very high95.1Very high48 Ų4828.6 Ų28.619%0.18816%0.156CC..Hα-helixtrans-62.2-54.4178.5176.7-112.1000112.6V76 T77 I111 S112 L113 G117 S118 L119 Y143V76-Y115 HydrophobicContact CB-CE1 3.86Å; V76-Y115 HydrophobicContact CG1-CE1 3.85Å; V76-Y115 HydrophobicContact CG1-CE2 3.85Å; V76-Y115 VanDerWaalsContact CG1-CZ 3.45Å; V76-Y115 WeakPolarHBondContact CG1-OH 3.44Å; V76-Y115 HydrophobicContact CG2-CE1 4.36Å; T77-Y115 VanDerWaalsContact CG2-CB 3.49Å; T77-Y115 HydrophobicContact CG2-CD1 3.66Å; T77-Y115 HydrophobicContact CG2-CG 3.67Å; I111-Y115 WeakPolarHBondContact O-CB 3.34Å; I111-Y115 PolarHBondContact O-N 2.64Å; S112-Y115 PolarHBondContact O-N 3.5Å; L113-Y115 VanDerWaalsContact C-N 3.34Å; L113-Y115 PolarHBondContact O-N 3.46Å; Y115-G117 PolarHBondContact O-N 3.19Å; Y115-S118 VanDerWaalsContact O-CB 3.28Å; Y115-S118 WeakPolarHBondContact O-CB 3.46Å; Y115-S118 PolarHBondContact O-N 3.33Å; Y115-L119 HydrophobicContact CD1-CD1 4.32Å; Y115-L119 HydrophobicContact CE1-CD1 3.67Å; Y115-L119 HydrophobicContact CE2-CD1 4.23Å; Y115-L119 HydrophobicContact CE2-CG 4.42Å; Y115-L119 PolarHBondContact O-N 2.93Å; Y115-Y143 AromaticContact CD2-CD1 3.69Å; Y115-Y143 HydrophobicContact CD2-CD1 3.69Å; Y115-Y143 AromaticContact CD2-CE1 3.58Å; Y115-Y143 HydrophobicContact CD2-CE1 3.58Å; Y115-Y143 HydrophobicContact CD2-CG 4.23Å; Y115-Y143 HydrophobicContact CE2-CE1 4.24Å; Y115-Y143 HydrophobicContact CG-CE1 4.47Å
116H98.4Very high95.6Very high0 Ų027.6 Ų27.60%015%0.149CC..Hα-helixtrans-70.3-33.3-178.4-73.2-61.5000112.7G48 D82 L89 S112 S118 L119 L120G48-H116 PolarHBondContact O-CE1 2.9Å; G48-H116 VanDerWaalsContact O-CE1 3.31Å; D82-H116 WeakPolarHBondContact CA-NE2 3.26Å; D82-H116 WeakPolarHBondContact CB-NE2 3.44Å; D82-H116 VanDerWaalsContact CG-NE2 3.33Å; D82-H116 PolarHBondContact O-CD2 2.76Å; D82-H116 PolarHBondContact O-NE2 3.48Å; D82-H116 IonicContact OD1-NE2 2.93Å; D82-H116 IonicContact OD2-NE2 3.7Å; L89-H116 HydrophobicContact CD1-CB 3.69Å; S112-H116 WeakPolarHBondContact O-CB 3.29Å; S112-H116 PolarHBondContact O-CD2 3.37Å; S112-H116 VanDerWaalsContact O-CD2 3.24Å; S112-H116 PolarHBondContact O-N 2.76Å; H116-S118 VanDerWaalsContact C-N 3.32Å; H116-S118 PolarHBondContact O-N 2.9Å; H116-L119 PolarHBondContact O-N 2.81Å; H116-L120 WeakPolarHBondContact O-CB 3.37Å; H116-L120 VanDerWaalsContact O-CG 3.31Å; H116-L120 WeakPolarHBondContact O-CG 3.3Å; H116-L120 PolarHBondContact O-N 3.27Å
117G97.9Very high96.6Very high1 Ų126.3 Ų26.31%0.0114%0.138CC..Hα-helixtrans-59.7-43.2171.800000112.1L113 Y115 L120 K121 I122L113-G117 WeakPolarHBondContact O-CA 3.24Å; L113-G117 PolarHBondContact O-N 3.12Å; Y115-G117 PolarHBondContact O-N 3.19Å; G117-L120 CarbonylContact O-C 3.58Å; G117-L120 PolarHBondContact O-N 3.42Å; G117-K121 CarbonylContact O-C 3.58Å; G117-K121 WeakPolarHBondContact O-CA 3.27Å; G117-K121 PolarHBondContact O-N 3.38Å; G117-I122 CarbonylContact C-O 3.56Å; G117-I122 PolarHBondContact O-N 3.39Å
118S97.7Very high97Very high68 Ų6825.7 Ų25.748%0.47613%0.132SC..Hα-helixtrans-57.3-50.4173.8-153.70000112.2A114 Y115 H116 L120 K121 Y143A114-S118 WeakPolarHBondContact O-CB 3.35Å; A114-S118 PolarHBondContact O-N 3.06Å; Y115-S118 VanDerWaalsContact O-CB 3.28Å; Y115-S118 WeakPolarHBondContact O-CB 3.46Å; Y115-S118 PolarHBondContact O-N 3.33Å; H116-S118 VanDerWaalsContact C-N 3.32Å; H116-S118 PolarHBondContact O-N 2.9Å; S118-L120 VanDerWaalsContact C-N 3.31Å; S118-L120 PolarHBondContact O-N 3.03Å; S118-K121 PolarHBondContact O-N 3.3Å; S118-Y143 WeakPolarHBondContact CB-O 3.06Å; S118-Y143 PolarHBondContact OG-O 3.48Å
119L97.4Very high96.8Very high93 Ų9325.3 Ų25.349%0.48713%0.13SC..Hα-helixtrans-61.5-39179.6-68.6179.5000112.6Y115 H116 K121Y115-L119 HydrophobicContact CD1-CD1 4.32Å; Y115-L119 HydrophobicContact CE1-CD1 3.67Å; Y115-L119 HydrophobicContact CE2-CD1 4.23Å; Y115-L119 HydrophobicContact CE2-CG 4.42Å; Y115-L119 PolarHBondContact O-N 2.93Å; H116-L119 PolarHBondContact O-N 2.81Å; L119-K121 VanDerWaalsContact C-N 3.35Å
120L97.5Very high96.5Very high51 Ų5128.7 Ų28.727%0.26715%0.151SC..Hα-helixtrans-89.6-0.4-178.3-61.4174.2000113.1L89 L90 H116 G117 S118 I122L89-L120 HydrophobicContact CB-CD1 3.68Å; L89-L120 HydrophobicContact CD1-CD1 4.4Å; L90-L120 HydrophobicContact CD2-CD1 3.88Å; L90-L120 HydrophobicContact CD2-CD2 3.66Å; L90-L120 HydrophobicContact CD2-CG 4.44Å; L90-L120 HydrophobicContact CG-CD1 4Å; H116-L120 WeakPolarHBondContact O-CB 3.37Å; H116-L120 VanDerWaalsContact O-CG 3.31Å; H116-L120 WeakPolarHBondContact O-CG 3.3Å; H116-L120 PolarHBondContact O-N 3.27Å; G117-L120 CarbonylContact O-C 3.58Å; G117-L120 PolarHBondContact O-N 3.42Å; S118-L120 VanDerWaalsContact C-N 3.31Å; S118-L120 PolarHBondContact O-N 3.03Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 HydrophobicContact CB-CD1 3.93Å; L120-I122 HydrophobicContact CB-CG1 3.93Å; L120-I122 HydrophobicContact CD1-CD1 4.44Å; L120-I122 PolarHBondContact O-N 3.26Å
121K97.5Very high96Very high190 Ų19034.5 Ų34.583%0.82618%0.182SC*.THydrogen-bonded Turntrans57.337.2-176.4-53.4177.8-178.5176.50113.4G117 S118 L119G117-K121 CarbonylContact O-C 3.58Å; G117-K121 WeakPolarHBondContact O-CA 3.27Å; G117-K121 PolarHBondContact O-N 3.38Å; S118-K121 PolarHBondContact O-N 3.3Å; L119-K121 VanDerWaalsContact C-N 3.35Å
122I98Very high95.5Very high17 Ų1735.1 Ų35.19%0.08719%0.186CC..  trans-102.1124.8178.2-57.5-177.5000108.3L89 L92 A97 V101 G117 L120 I124L89-I122 HydrophobicContact CB-CD1 4.21Å; L89-I122 HydrophobicContact CD2-CD1 4.32Å; L89-I122 HydrophobicContact CD2-CG2 4.24Å; L92-I122 HydrophobicContact CD1-CD1 3.96Å; L92-I122 HydrophobicContact CD1-CG2 4.21Å; A97-I122 HydrophobicContact CB-CD1 4.02Å; A97-I122 HydrophobicContact CB-CG1 4.21Å; V101-I122 HydrophobicContact CG1-CG2 4.44Å; G117-I122 CarbonylContact C-O 3.56Å; G117-I122 PolarHBondContact O-N 3.39Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 HydrophobicContact CB-CD1 3.93Å; L120-I122 HydrophobicContact CB-CG1 3.93Å; L120-I122 HydrophobicContact CD1-CD1 4.44Å; L120-I122 PolarHBondContact O-N 3.26Å; I122-I124 HydrophobicContact CG2-CD1 4.27Å; I122-I124 WeakPolarHBondContact O-CG1 3.37Å; I122-I124 PolarHBondContact O-N 3.26Å
123P97.4Very high94.8Very high40 Ų4037 Ų3726%0.2620%0.2SC..  trans-62.1126.7177.1-20.732000111.3M1 A97 G100 V101M1-P123 HydrophobicContact CG-CB 4.19Å; M1-P123 HydrophobicContact CG-CG 4.29Å; A97-P123 WeakPolarHBondContact O-CD 3.41Å; G100-P123 CarbonylContact C-O 3.58Å; G100-P123 VanDerWaalsContact CA-O 3.23Å; G100-P123 WeakPolarHBondContact CA-O 3.34Å; V101-P123 PolarHBondContact N-O 2.9Å
124I97.5Very high94.3Very high8 Ų842.9 Ų42.94%0.04123%0.23CC..EExtended strand (participates in β ladder)trans-114.3125.2179.3-50.8-57.2000109.5L89 V101 L113 I122 I126 L146L89-I124 HydrophobicContact CD1-CD1 4.44Å; L89-I124 HydrophobicContact CD2-CD1 4.06Å; V101-I124 HydrophobicContact CG2-CD1 3.28Å; L113-I124 HydrophobicContact CB-CG2 4.14Å; L113-I124 WeakPolarHBondContact O-CG1 3.42Å; I122-I124 HydrophobicContact CG2-CD1 4.27Å; I122-I124 WeakPolarHBondContact O-CG1 3.37Å; I122-I124 PolarHBondContact O-N 3.26Å; I124-I126 HydrophobicContact CG2-CD1 3.55Å; I124-I126 HydrophobicContact CG2-CG1 3.97Å; I124-L146 PolarHBondContact O-N 2.79Å
125T96.8Very high93.9Very high7 Ų745.1 Ų45.14%0.04324%0.241CC..EExtended strand (participates in β ladder)trans-109.1129.3166.7-59.20000110V2 V101 I102 A103 I127 L146 L148V2-T125 HydrophobicContact CG2-CG2 4.03Å; V2-T125 VanDerWaalsContact CG2-OG1 3.29Å; V2-T125 WeakPolarHBondContact CG2-OG1 3.46Å; V101-T125 PolarHBondContact O-N 3.37Å; I102-T125 CarbonylContact C-O 3.55Å; I102-T125 WeakPolarHBondContact CA-O 3.49Å; I102-T125 HydrophobicContact CD1-CG2 3.98Å; I102-T125 HydrophobicContact CG1-CG2 4.11Å; A103-T125 PolarHBondContact N-O 2.79Å; T125-I127 HydrophobicContact CG2-CD1 4.13Å; T125-L146 CarbonylContact C-O 3.59Å; T125-L146 WeakPolarHBondContact CA-O 3.43Å; T125-L146 HydrophobicContact CG2-CD2 4.38Å; T125-L148 HydrophobicContact CG2-CD1 3.91Å; T125-L148 HydrophobicContact CG2-CG 4.38Å
126I96.4Very high93.4Very high0 Ų043.2 Ų43.20%023%0.234CC..EExtended strand (participates in β ladder)trans-116.9123.9176.8-54.1-60.8000109.1A103 S105 A110 L113 I124 M128 L146 V147 L148A103-I126 HydrophobicContact CB-CD1 4.16Å; A103-I126 WeakPolarHBondContact O-CA 3.45Å; S105-I126 WeakPolarHBondContact O-CG2 3.37Å; A110-I126 HydrophobicContact CB-CD1 4.03Å; A110-I126 HydrophobicContact CB-CG1 4.16Å; A110-I126 HydrophobicContact CB-CG2 3.6Å; L113-I126 HydrophobicContact CB-CD1 4.36Å; L113-I126 HydrophobicContact CD1-CD1 4.46Å; I124-I126 HydrophobicContact CG2-CD1 3.55Å; I124-I126 HydrophobicContact CG2-CG1 3.97Å; I126-M128 HydrophobicContact CB-CE 4.49Å; I126-M128 HydrophobicContact CG2-CE 3.57Å; I126-M128 HydrophobicContact CG2-CG 3.7Å; I126-M128 HydrophobicContact CG2-SD 4.48Å; I126-L146 PolarHBondContact N-O 2.85Å; I126-V147 WeakPolarHBondContact O-CA 3.46Å; I126-L148 PolarHBondContact O-N 3.44Å
127I95.3Very high93.1Very high0 Ų043.8 Ų43.80%024%0.237CC..EExtended strand (participates in β ladder)trans-93.7128167.8-49-52.8000108.7I102 A103 C104 S105 T125 L148 K150 S157 A161 I164I102-I127 HydrophobicContact CD1-CD1 4.04Å; I102-I127 HydrophobicContact CD1-CG1 3.89Å; I102-I127 HydrophobicContact CG1-CG1 4.18Å; A103-I127 PolarHBondContact O-N 3.02Å; C104-I127 WeakPolarHBondContact CA-O 3.46Å; S105-I127 PolarHBondContact N-O 2.83Å; S105-I127 VanDerWaalsContact N-O 3.13Å; T125-I127 HydrophobicContact CG2-CD1 4.13Å; I127-L148 WeakPolarHBondContact CA-O 3.48Å; I127-L148 HydrophobicContact CD1-CB 3.71Å; I127-L148 HydrophobicContact CD1-CD1 3.76Å; I127-L148 HydrophobicContact CD1-CG 4.21Å; I127-K150 HydrophobicContact CG2-CB 3.97Å; I127-S157 WeakPolarHBondContact CG2-O 3.41Å; I127-A161 HydrophobicContact CB-CB 4.1Å; I127-A161 HydrophobicContact CG1-CB 3.72Å; I127-I164 HydrophobicContact CD1-CD1 3.74Å; I127-I164 HydrophobicContact CG1-CD1 4.5Å
128M93.4Very high92.9Very high0 Ų050 Ų500%027%0.265CS..EExtended strand (participates in β ladder)trans-130.4150175.8-55.1-167.317400110.8S105 A110 I126 Q137 C140 V147 L148 L149 K150S105-M128 WeakPolarHBondContact O-CE 3.37Å; S105-M128 WeakPolarHBondContact O-CG 3.31Å; A110-M128 HydrophobicContact CB-CE 3.62Å; I126-M128 HydrophobicContact CB-CE 4.49Å; I126-M128 HydrophobicContact CG2-CE 3.57Å; I126-M128 HydrophobicContact CG2-CG 3.7Å; I126-M128 HydrophobicContact CG2-SD 4.48Å; M128-Q137 HydrophobicContact SD-CG 3.8Å; M128-C140 HydrophobicContact CE-CB 4.13Å; M128-C140 WeakPolarHBondContact CE-SG 3.46Å; M128-V147 HydrophobicContact CG-CG1 4.21Å; M128-V147 HydrophobicContact SD-CG1 4.1Å; M128-L148 PolarHBondContact N-O 2.97Å; M128-L149 HydrophobicContact CB-CD2 3.95Å; M128-L149 CarbonylContact O-C 3.53Å; M128-L149 VanDerWaalsContact O-CA 3.29Å; M128-L149 WeakPolarHBondContact O-CA 3.48Å; M128-K150 PolarHBondContact O-N 3.19Å
129P90.8Very high92.7Very high4 Ų449.7 Ų49.73%0.02625%0.254CS..  trans-56.1149.3166.7-22.228000112.2N131 S132 G151 V154 S157P129-N131 VanDerWaalsContact CB-OD1 3.24Å; P129-N131 WeakPolarHBondContact CB-OD1 3.33Å; P129-N131 PolarHBondContact O-N 2.97Å; P129-N131 VanDerWaalsContact O-N 3.14Å; P129-S132 WeakPolarHBondContact CD-OG 3.12Å; P129-S132 VanDerWaalsContact O-CB 3.31Å; P129-S132 WeakPolarHBondContact O-CB 3.39Å; P129-S132 PolarHBondContact O-N 3.25Å; P129-S132 VanDerWaalsContact O-N 3.09Å; P129-S132 PolarHBondContact O-OG 2.97Å; P129-G151 WeakPolarHBondContact CA-O 3.38Å; P129-V154 HydrophobicContact CG-CG2 3.99Å; P129-S157 WeakPolarHBondContact CA-OG 3.5Å; P129-S157 WeakPolarHBondContact CD-OG 3.21Å; P129-S157 VanDerWaalsContact CG-OG 3.3Å; P129-S157 WeakPolarHBondContact CG-OG 3.19Å; P129-S157 VanDerWaalsContact N-OG 3.13Å
130V90.3Very high92.6Very high76 Ų7645.3 Ų45.346%0.46123%0.231SC..THydrogen-bonded Turntrans-60.6-24.5-179.4-64.10000114.2L149 G151V130-L149 HydrophobicContact CG1-CB 4.26Å; V130-G151 PolarHBondContact N-O 3.16Å
131N85.5Confident92.5Very high122 Ų12248.2 Ų48.265%0.65224%0.241SC*.THydrogen-bonded Turntrans-98.915.5-18061.7-17.6000113.7P129P129-N131 VanDerWaalsContact CB-OD1 3.24Å; P129-N131 WeakPolarHBondContact CB-OD1 3.33Å; P129-N131 PolarHBondContact O-N 2.97Å; P129-N131 VanDerWaalsContact O-N 3.14Å
132S85.3Confident92.4Very high13 Ų1347.7 Ų47.79%0.09124%0.239CC..  trans-66151.4-179.6-60.40000112.7A106 P129 L134 Q137A106-S132 WeakPolarHBondContact CB-OG 3.47Å; P129-S132 WeakPolarHBondContact CD-OG 3.12Å; P129-S132 VanDerWaalsContact O-CB 3.31Å; P129-S132 WeakPolarHBondContact O-CB 3.39Å; P129-S132 PolarHBondContact O-N 3.25Å; P129-S132 VanDerWaalsContact O-N 3.09Å; P129-S132 PolarHBondContact O-OG 2.97Å; S132-L134 PolarHBondContact O-N 3.31Å; S132-Q137 PolarHBondContact O-NE2 3.48Å
133S83.8Confident92.3Very high40 Ų4049.1 Ų49.128%0.2824%0.244SC..  trans-49.4124.4177.5172.50000112.5M135 K136 Q137S133-M135 VanDerWaalsContact C-N 3.28Å; S133-M135 PolarHBondContact O-N 3.14Å; S133-M135 PolarHBondContact OG-N 2.89Å; S133-K136 PolarHBondContact O-N 3.49Å; S133-K136 VanDerWaalsContact O-N 3.09Å; S133-Q137 WeakPolarHBondContact O-CG 3.49Å; S133-Q137 PolarHBondContact O-N 3.15Å
134L86.9Confident92.1Very high123 Ų12350.1 Ų50.164%0.64426%0.261SS*.Hα-helixtrans-57.1-42.1177.8-67.5175.5000111.5S132 K136 Q137 E138S132-L134 PolarHBondContact O-N 3.31Å; L134-K136 VanDerWaalsContact C-N 3.3Å; L134-K136 PolarHBondContact O-N 3.48Å; L134-Q137 WeakPolarHBondContact O-CB 3.29Å; L134-Q137 PolarHBondContact O-N 3.43Å; L134-E138 WeakPolarHBondContact O-CB 3.4Å; L134-E138 WeakPolarHBondContact O-CG 3.41Å; L134-E138 PolarHBondContact O-N 3.09Å
135M89.3Confident92Very high47 Ų4750 Ų5023%0.23226%0.262CS..Hα-helixtrans-55.7-45176.2-179.5-159.96700111.5S133 E138 R139 N336S133-M135 VanDerWaalsContact C-N 3.28Å; S133-M135 PolarHBondContact O-N 3.14Å; S133-M135 PolarHBondContact OG-N 2.89Å; M135-E138 PolarHBondContact O-N 3.04Å; M135-R139 WeakPolarHBondContact O-CG 3.42Å; M135-R139 PolarHBondContact O-N 3.45Å; M135-N336 HydrophobicContact CE-CB 4.4Å; M135-N336 WeakPolarHBondContact CE-O 3.34Å
136K88.1Confident91.9Very high7 Ų751.7 Ų51.73%0.0327%0.271CS..Hα-helixtrans-70.3-39.3-178-61.6-174179.2-176.60111A106 I111 S133 L134 C140 D259A106-K136 WeakPolarHBondContact O-CD 3.21Å; I111-K136 HydrophobicContact CD1-CB 4.47Å; I111-K136 HydrophobicContact CD1-CG 4.32Å; S133-K136 PolarHBondContact O-N 3.49Å; S133-K136 VanDerWaalsContact O-N 3.09Å; L134-K136 VanDerWaalsContact C-N 3.3Å; L134-K136 PolarHBondContact O-N 3.48Å; K136-C140 PolarHBondContact O-N 2.93Å; K136-C140 VanDerWaalsContact O-N 3.17Å; K136-C140 PolarHBondContact O-SG 2.96Å; K136-D259 IonicContact NZ-OD1 2.77Å; K136-D259 IonicContact NZ-OD2 2.97Å; K136-D259 PolarHBondContact NZ-OD2 2.86Å
137Q92.1Very high91.8Very high12 Ų1252.6 Ų52.66%0.05628%0.276CS..Hα-helixtrans-60.7-49173.2-64.2-178.74000111.8M128 S132 S133 L134 R139 C140 K141 L149M128-Q137 HydrophobicContact SD-CG 3.8Å; S132-Q137 PolarHBondContact O-NE2 3.48Å; S133-Q137 WeakPolarHBondContact O-CG 3.49Å; S133-Q137 PolarHBondContact O-N 3.15Å; L134-Q137 WeakPolarHBondContact O-CB 3.29Å; L134-Q137 PolarHBondContact O-N 3.43Å; Q137-R139 PolarHBondContact O-N 3.06Å; Q137-C140 PolarHBondContact O-N 3.12Å; Q137-K141 WeakPolarHBondContact O-CG 3.23Å; Q137-K141 PolarHBondContact O-N 2.94Å; Q137-L149 HydrophobicContact CG-CD2 4.28Å
138E93.4Very high91.8Very high132 Ų13253.6 Ų53.662%0.61728%0.281SS*.Hα-helixtrans-62.4-41.6-179.2-75.2179.1168.600112L134 M135 C140 K141 K142L134-E138 WeakPolarHBondContact O-CB 3.4Å; L134-E138 WeakPolarHBondContact O-CG 3.41Å; L134-E138 PolarHBondContact O-N 3.09Å; M135-E138 PolarHBondContact O-N 3.04Å; E138-C140 PolarHBondContact O-N 2.92Å; E138-K141 PolarHBondContact O-N 3.4Å; E138-K142 WeakPolarHBondContact O-CB 3.43Å; E138-K142 PolarHBondContact O-N 3.23Å
139R94.1Very high91.8Very high62 Ų6256.8 Ų56.823%0.23430%0.298CS..Hα-helixtrans-62.7-42.6176.5-72.3179.287.5172.4-1111.8T77 I111 M135 Q137 K142 Y143 N336T77-R139 PolarHBondContact O-NH2 3.22Å; I111-R139 HydrophobicContact CD1-CB 4.32Å; I111-R139 HydrophobicContact CG1-CB 4.31Å; I111-R139 HydrophobicContact CG2-CB 4.19Å; M135-R139 WeakPolarHBondContact O-CG 3.42Å; M135-R139 PolarHBondContact O-N 3.45Å; Q137-R139 PolarHBondContact O-N 3.06Å; R139-K142 PolarHBondContact O-N 3.09Å; R139-Y143 HydrophobicContact CB-CE2 4.49Å; R139-Y143 WeakPolarHBondContact O-CD2 3.28Å; R139-Y143 PolarHBondContact O-N 3.5Å; R139-Y143 VanDerWaalsContact O-N 3.13Å; R139-N336 PolarHBondContact NH1-OD1 2.92Å
140C95Very high91.9Very high0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-62.7-46.9176.5-64.20000111.8A110 A114 M128 K136 Q137 E138 K142 Y143 G144 G145 V147A110-C140 VanDerWaalsContact C-SG 3.54Å; A114-C140 HydrophobicContact CB-CB 4.3Å; M128-C140 HydrophobicContact CE-CB 4.13Å; M128-C140 WeakPolarHBondContact CE-SG 3.46Å; K136-C140 PolarHBondContact O-N 2.93Å; K136-C140 VanDerWaalsContact O-N 3.17Å; K136-C140 PolarHBondContact O-SG 2.96Å; Q137-C140 PolarHBondContact O-N 3.12Å; E138-C140 PolarHBondContact O-N 2.92Å; C140-K142 PolarHBondContact O-N 3.4Å; C140-Y143 PolarHBondContact O-N 2.87Å; C140-G144 PolarHBondContact O-N 2.86Å; C140-G145 PolarHBondContact O-N 3.39Å; C140-V147 HydrophobicContact CB-CG2 3.6Å
141K95.4Very high91.9Very high112 Ų11254.9 Ų54.949%0.48729%0.286SS..Hα-helixtrans-61.3-42.9176.7-69.6174.5-176.2175.20111.8Q137 E138 Y143 G144 V147Q137-K141 WeakPolarHBondContact O-CG 3.23Å; Q137-K141 PolarHBondContact O-N 2.94Å; E138-K141 PolarHBondContact O-N 3.4Å; K141-Y143 VanDerWaalsContact C-N 3.25Å; K141-Y143 PolarHBondContact O-N 3.26Å; K141-G144 PolarHBondContact O-N 2.84Å; K141-V147 HydrophobicContact CG-CB 4.06Å; K141-V147 HydrophobicContact CG-CG2 3.72Å
142K96.1Very high92Very high179 Ų17954.2 Ų54.278%0.77828%0.283SS*.Hα-helixtrans-60.5-34.1178.3-177.4177.3179.1179.10112.5E138 R139 C140 G144E138-K142 WeakPolarHBondContact O-CB 3.43Å; E138-K142 PolarHBondContact O-N 3.23Å; R139-K142 PolarHBondContact O-N 3.09Å; C140-K142 PolarHBondContact O-N 3.4Å; K142-G144 VanDerWaalsContact C-N 3.25Å; K142-G144 PolarHBondContact O-N 3.42Å
143Y96Very high92Very high48 Ų4856.9 Ų56.919%0.18830%0.296CS..THydrogen-bonded Turntrans-82.10.7174.6-64.6-49.4000113.8I111 Y115 S118 R139 C140 K141I111-Y143 HydrophobicContact CG2-CD2 4.04Å; I111-Y143 HydrophobicContact CG2-CE2 3.65Å; Y115-Y143 AromaticContact CD2-CD1 3.69Å; Y115-Y143 HydrophobicContact CD2-CD1 3.69Å; Y115-Y143 AromaticContact CD2-CE1 3.58Å; Y115-Y143 HydrophobicContact CD2-CE1 3.58Å; Y115-Y143 HydrophobicContact CD2-CG 4.23Å; Y115-Y143 HydrophobicContact CE2-CE1 4.24Å; Y115-Y143 HydrophobicContact CG-CE1 4.47Å; S118-Y143 WeakPolarHBondContact CB-O 3.06Å; S118-Y143 PolarHBondContact OG-O 3.48Å; R139-Y143 HydrophobicContact CB-CE2 4.49Å; R139-Y143 WeakPolarHBondContact O-CD2 3.28Å; R139-Y143 PolarHBondContact O-N 3.5Å; R139-Y143 VanDerWaalsContact O-N 3.13Å; C140-Y143 PolarHBondContact O-N 2.87Å; K141-Y143 VanDerWaalsContact C-N 3.25Å; K141-Y143 PolarHBondContact O-N 3.26Å
144G93.2Very high92Very high61 Ų6158.9 Ų58.963%0.62931%0.306SS*.THydrogen-bonded Turntrans88.811.8177.800000114.4C140 K141 K142C140-G144 PolarHBondContact O-N 2.86Å; K141-G144 PolarHBondContact O-N 2.84Å; K142-G144 VanDerWaalsContact C-N 3.25Å; K142-G144 PolarHBondContact O-N 3.42Å
145G94.7Very high91.9Very high6 Ų659.1 Ų59.16%0.06230%0.302CS..  trans-72.4133.5170.500000111.2C140 V147C140-G145 PolarHBondContact O-N 3.39Å; G145-V147 PolarHBondContact O-N 3.09Å
146L95.3Very high91.9Very high42 Ų4258.5 Ų58.522%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-74.2109169.8173.660.4000109V2 E4 I124 T125 I126 L148V2-L146 HydrophobicContact CB-CD2 3.86Å; V2-L146 HydrophobicContact CG1-CD2 4.41Å; E4-L146 HydrophobicContact CG-CD1 4.22Å; E4-L146 HydrophobicContact CG-CD2 4.35Å; E4-L146 WeakPolarHBondContact OE1-CD1 3.34Å; I124-L146 PolarHBondContact O-N 2.79Å; T125-L146 CarbonylContact C-O 3.59Å; T125-L146 WeakPolarHBondContact CA-O 3.43Å; T125-L146 HydrophobicContact CG2-CD2 4.38Å; I126-L146 PolarHBondContact N-O 2.85Å; L146-L148 HydrophobicContact CD1-CD2 4.12Å; L146-L148 HydrophobicContact CD2-CD2 4.5Å; L146-L148 HydrophobicContact CG-CD2 4.21Å; L146-L148 HydrophobicContact CG-CG 4.26Å
147V94.6Very high92.1Very high18 Ų1858.2 Ų58.211%0.10930%0.297CS..EExtended strand (participates in β ladder)trans-97.7118179.9179.80000110.1I126 M128 C140 K141 G145 L149I126-V147 WeakPolarHBondContact O-CA 3.46Å; M128-V147 HydrophobicContact CG-CG1 4.21Å; M128-V147 HydrophobicContact SD-CG1 4.1Å; C140-V147 HydrophobicContact CB-CG2 3.6Å; K141-V147 HydrophobicContact CG-CB 4.06Å; K141-V147 HydrophobicContact CG-CG2 3.72Å; G145-V147 PolarHBondContact O-N 3.09Å; V147-L149 HydrophobicContact CG1-CD2 4Å
148L94.4Very high92Very high21 Ų2161.8 Ų61.811%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-110.2120.9174.6-56.7175.4000109.5V2 E4 V7 T125 I126 I127 M128 L146 K150 I164V2-L148 HydrophobicContact CG1-CD1 4.35Å; E4-L148 HydrophobicContact CG-CD2 4.49Å; V7-L148 HydrophobicContact CG2-CD1 3.83Å; T125-L148 HydrophobicContact CG2-CD1 3.91Å; T125-L148 HydrophobicContact CG2-CG 4.38Å; I126-L148 PolarHBondContact O-N 3.44Å; I127-L148 WeakPolarHBondContact CA-O 3.48Å; I127-L148 HydrophobicContact CD1-CB 3.71Å; I127-L148 HydrophobicContact CD1-CD1 3.76Å; I127-L148 HydrophobicContact CD1-CG 4.21Å; M128-L148 PolarHBondContact N-O 2.97Å; L146-L148 HydrophobicContact CD1-CD2 4.12Å; L146-L148 HydrophobicContact CD2-CD2 4.5Å; L146-L148 HydrophobicContact CG-CD2 4.21Å; L146-L148 HydrophobicContact CG-CG 4.26Å; L148-K150 PolarHBondContact O-N 3.19Å; L148-I164 HydrophobicContact CD1-CD1 4.33Å
149L93.8Very high91.9Very high67 Ų6756.4 Ų56.435%0.35129%0.288SS..EExtended strand (participates in β ladder)trans-87.9105.1177.8-58.4-175.2000109.7M128 V130 Q137 V147M128-L149 HydrophobicContact CB-CD2 3.95Å; M128-L149 CarbonylContact O-C 3.53Å; M128-L149 VanDerWaalsContact O-CA 3.29Å; M128-L149 WeakPolarHBondContact O-CA 3.48Å; V130-L149 HydrophobicContact CG1-CB 4.26Å; Q137-L149 HydrophobicContact CG-CD2 4.28Å; V147-L149 HydrophobicContact CG1-CD2 4Å
150K93.2Very high91.9Very high30 Ų3054.7 Ų54.713%0.1328%0.282CS..  trans-143127.7-174.3-72.3-74.5-167.3164.80110.6V7 T8 I127 M128 L148 S157 Y160V7-K150 WeakPolarHBondContact O-CE 3.43Å; V7-K150 PolarHBondContact O-NZ 3.32Å; T8-K150 VanDerWaalsContact C-NZ 3.35Å; T8-K150 PolarHBondContact O-NZ 2.6Å; I127-K150 HydrophobicContact CG2-CB 3.97Å; M128-K150 PolarHBondContact O-N 3.19Å; L148-K150 PolarHBondContact O-N 3.19Å; K150-S157 WeakPolarHBondContact O-CA 3.47Å; K150-S157 PolarHBondContact O-OG 3.36Å; K150-Y160 HydrophobicContact CB-CD1 4.28Å; K150-Y160 HydrophobicContact CB-CD2 3.66Å; K150-Y160 HydrophobicContact CB-CE2 4.11Å; K150-Y160 HydrophobicContact CB-CG 3.75Å; K150-Y160 HydrophobicContact CD-CD1 4.32Å; K150-Y160 HydrophobicContact CD-CE1 4.22Å; K150-Y160 HydrophobicContact CG-CD1 4.5Å; K150-Y160 HydrophobicContact CG-CG 4.4Å
151G90.5Very high91.9Very high10 Ų1054.7 Ų54.710%0.10328%0.282CS..  trans90.9153.7-178.900000113.4P129 V130 E156P129-G151 WeakPolarHBondContact CA-O 3.38Å; V130-G151 PolarHBondContact N-O 3.16Å; G151-E156 VanDerWaalsContact CA-OE2 3.31Å; G151-E156 WeakPolarHBondContact CA-OE2 3.42Å
152N87.7Confident91.8Very high109 Ų10949.9 Ų49.958%0.58326%0.262SS*.SBendtrans-85.6-17.7-179.1-61.6-55.4000113.1E156N152-E156 PolarHBondContact N-OE2 3.16Å; N152-E156 PolarHBondContact ND2-OE2 3.44Å
153N84.8Confident91.7Very high68 Ų6844.3 Ų44.336%0.36424%0.238SC..SBendtrans-148.3173-178.157.858.3000110.2F155 E156 S157N153-F155 VanDerWaalsContact C-N 3.27Å; N153-F155 PolarHBondContact O-N 2.85Å; N153-F155 WeakPolarHBondContact OD1-CB 3.47Å; N153-F155 PolarHBondContact OD1-N 3.31Å; N153-F155 VanDerWaalsContact OD1-N 3.13Å; N153-E156 PolarHBondContact ND2-OE1 3.01Å; N153-E156 PolarHBondContact O-N 2.84Å; N153-E156 PolarHBondContact OD1-N 2.83Å; N153-S157 WeakPolarHBondContact O-CB 3.49Å; N153-S157 PolarHBondContact O-N 3.28Å; N153-S157 PolarHBondContact O-OG 2.75Å
154V83.6Confident91.5Very high82 Ų8242 Ų4250%0.49723%0.229SC..Hα-helixtrans-64.3-33.4-177.1177.80000111.8P129 S157 K158P129-V154 HydrophobicContact CG-CG2 3.99Å; V154-S157 PolarHBondContact O-N 2.89Å; V154-K158 PolarHBondContact O-N 3.25Å
155F83.9Confident91.6Very high128 Ų12839.5 Ų39.556%0.56120%0.202SC*.Hα-helixtrans-63.3-52.6177.9175.3-97.2000111.3A15 N153 S157 K158 L159A15-F155 HydrophobicContact CB-CE1 4.2Å; A15-F155 HydrophobicContact CB-CZ 3.72Å; N153-F155 VanDerWaalsContact C-N 3.27Å; N153-F155 PolarHBondContact O-N 2.85Å; N153-F155 WeakPolarHBondContact OD1-CB 3.47Å; N153-F155 PolarHBondContact OD1-N 3.31Å; N153-F155 VanDerWaalsContact OD1-N 3.13Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 3.19Å; F155-K158 WeakPolarHBondContact O-CB 3.42Å; F155-K158 PolarHBondContact O-N 2.69Å; F155-K158 VanDerWaalsContact O-N 3.11Å; F155-L159 HydrophobicContact CD1-CD1 4.31Å; F155-L159 HydrophobicContact CE1-CD1 3.78Å; F155-L159 HydrophobicContact CE1-CG 4.5Å; F155-L159 HydrophobicContact CZ-CD1 4.2Å; F155-L159 PolarHBondContact O-N 3.45Å
156E89.5Confident91.4Very high35 Ų3544.4 Ų44.416%0.16422%0.222CC..Hα-helixtrans-59-41.7175.1-70.6178.3-155.100111.8L12 G151 N152 N153 K158 L159 Y160L12-E156 HydrophobicContact CD1-CB 3.76Å; L12-E156 HydrophobicContact CD1-CG 3.81Å; L12-E156 HydrophobicContact CD2-CG 4.09Å; G151-E156 VanDerWaalsContact CA-OE2 3.31Å; G151-E156 WeakPolarHBondContact CA-OE2 3.42Å; N152-E156 PolarHBondContact N-OE2 3.16Å; N152-E156 PolarHBondContact ND2-OE2 3.44Å; N153-E156 PolarHBondContact ND2-OE1 3.01Å; N153-E156 PolarHBondContact O-N 2.84Å; N153-E156 PolarHBondContact OD1-N 2.83Å; E156-K158 VanDerWaalsContact C-N 3.26Å; E156-K158 PolarHBondContact O-N 2.85Å; E156-L159 WeakPolarHBondContact O-CB 3.41Å; E156-L159 PolarHBondContact O-N 3Å; E156-Y160 WeakPolarHBondContact O-CD2 3.46Å; E156-Y160 PolarHBondContact O-N 3.07Å
157S92.3Very high91.2Very high0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-60.2-36.7177.4-57.80000112.1C104 I127 P129 K150 N153 V154 F155 Y160 A161C104-S157 WeakPolarHBondContact SG-CB 3.25Å; I127-S157 WeakPolarHBondContact CG2-O 3.41Å; P129-S157 WeakPolarHBondContact CA-OG 3.5Å; P129-S157 WeakPolarHBondContact CD-OG 3.21Å; P129-S157 VanDerWaalsContact CG-OG 3.3Å; P129-S157 WeakPolarHBondContact CG-OG 3.19Å; P129-S157 VanDerWaalsContact N-OG 3.13Å; K150-S157 WeakPolarHBondContact O-CA 3.47Å; K150-S157 PolarHBondContact O-OG 3.36Å; N153-S157 WeakPolarHBondContact O-CB 3.49Å; N153-S157 PolarHBondContact O-N 3.28Å; N153-S157 PolarHBondContact O-OG 2.75Å; V154-S157 PolarHBondContact O-N 2.89Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 3.19Å; S157-Y160 PolarHBondContact O-N 2.96Å; S157-A161 WeakPolarHBondContact O-CB 3.49Å; S157-A161 PolarHBondContact O-N 3.2Å
158K91Very high91Very high88 Ų8848.4 Ų48.438%0.38324%0.242SC..Hα-helixtrans-65.9-42.8176.5-173-179.5177.7-1770110.9C104 V154 F155 E156 Y160 A161 S162C104-K158 HydrophobicContact CB-CB 4.31Å; C104-K158 PolarHBondContact SG-N 2.69Å; V154-K158 PolarHBondContact O-N 3.25Å; F155-K158 WeakPolarHBondContact O-CB 3.42Å; F155-K158 PolarHBondContact O-N 2.69Å; F155-K158 VanDerWaalsContact O-N 3.11Å; E156-K158 VanDerWaalsContact C-N 3.26Å; E156-K158 PolarHBondContact O-N 2.85Å; K158-Y160 PolarHBondContact O-N 3.04Å; K158-A161 WeakPolarHBondContact O-CB 3.3Å; K158-A161 PolarHBondContact O-N 2.82Å; K158-S162 PolarHBondContact O-N 2.54Å; K158-S162 PolarHBondContact O-OG 2.9Å
159L91.8Very high90.9Very high18 Ų1852 Ų529%0.09426%0.261CS..Hα-helixtrans-60.6-45.6175.8-61.5178.4000111.3P13 A15 L20 F155 E156 A161 S162 K163P13-L159 HydrophobicContact CB-CB 4.25Å; P13-L159 HydrophobicContact CG-CB 4.21Å; A15-L159 HydrophobicContact CB-CD1 3.95Å; A15-L159 HydrophobicContact CB-CD2 4.24Å; L20-L159 HydrophobicContact CD1-CD2 4.2Å; F155-L159 HydrophobicContact CD1-CD1 4.31Å; F155-L159 HydrophobicContact CE1-CD1 3.78Å; F155-L159 HydrophobicContact CE1-CG 4.5Å; F155-L159 HydrophobicContact CZ-CD1 4.2Å; F155-L159 PolarHBondContact O-N 3.45Å; E156-L159 WeakPolarHBondContact O-CB 3.41Å; E156-L159 PolarHBondContact O-N 3Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.86Å; L159-S162 PolarHBondContact O-N 3.39Å; L159-K163 PolarHBondContact O-N 3.14Å
160Y94.3Very high90.9Very high26 Ų2649.5 Ų49.510%0.10225%0.249CC..Hα-helixtrans-59.4-43.8173.5-79.2-67.4000112.3I10 L12 P13 K150 E156 S157 K158 K163 I164I10-Y160 HydrophobicContact CG2-CD1 4.23Å; I10-Y160 HydrophobicContact CG2-CE1 4.17Å; I10-Y160 WeakPolarHBondContact O-CE1 3.31Å; L12-Y160 WeakPolarHBondContact CA-OH 3.35Å; L12-Y160 HydrophobicContact CD1-CD2 4.08Å; L12-Y160 HydrophobicContact CD1-CE2 3.51Å; L12-Y160 PolarHBondContact N-OH 3.28Å; P13-Y160 HydrophobicContact CG-CD1 4.49Å; K150-Y160 HydrophobicContact CB-CD1 4.28Å; K150-Y160 HydrophobicContact CB-CD2 3.66Å; K150-Y160 HydrophobicContact CB-CE2 4.11Å; K150-Y160 HydrophobicContact CB-CG 3.75Å; K150-Y160 HydrophobicContact CD-CD1 4.32Å; K150-Y160 HydrophobicContact CD-CE1 4.22Å; K150-Y160 HydrophobicContact CG-CD1 4.5Å; K150-Y160 HydrophobicContact CG-CG 4.4Å; E156-Y160 WeakPolarHBondContact O-CD2 3.46Å; E156-Y160 PolarHBondContact O-N 3.07Å; S157-Y160 PolarHBondContact O-N 2.96Å; K158-Y160 PolarHBondContact O-N 3.04Å; Y160-K163 PolarHBondContact O-N 3.09Å; Y160-I164 WeakPolarHBondContact O-CB 3.37Å; Y160-I164 WeakPolarHBondContact O-CG1 3.3Å; Y160-I164 PolarHBondContact O-N 3.3Å
161A94Very high91Very high0 Ų049.6 Ų49.60%025%0.25CS..Hα-helixtrans-60.3-47.8177.800000111.8I102 C104 I127 S157 K158 L159 K163 I164 A165 L172I102-A161 HydrophobicContact CD1-CB 4.47Å; I102-A161 HydrophobicContact CG1-CB 4.45Å; C104-A161 HydrophobicContact CB-CB 3.73Å; I127-A161 HydrophobicContact CB-CB 4.1Å; I127-A161 HydrophobicContact CG1-CB 3.72Å; S157-A161 WeakPolarHBondContact O-CB 3.49Å; S157-A161 PolarHBondContact O-N 3.2Å; K158-A161 WeakPolarHBondContact O-CB 3.3Å; K158-A161 PolarHBondContact O-N 2.82Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.86Å; A161-K163 VanDerWaalsContact C-N 3.33Å; A161-K163 PolarHBondContact O-N 3.49Å; A161-I164 PolarHBondContact O-N 3.45Å; A161-A165 WeakPolarHBondContact O-CB 3.34Å; A161-A165 PolarHBondContact O-N 3.36Å; A161-L172 HydrophobicContact CB-CD1 3.97Å
162S93.5Very high91.2Very high11 Ų1150.1 Ų50.18%0.07725%0.251CS..Hα-helixtrans-58.7-44.3175.5-68.80000111.9L20 K158 L159 A165 K166L20-S162 VanDerWaalsContact O-CB 3.32Å; L20-S162 WeakPolarHBondContact O-CB 3.44Å; L20-S162 PolarHBondContact O-OG 3.15Å; K158-S162 PolarHBondContact O-N 2.54Å; K158-S162 PolarHBondContact O-OG 2.9Å; L159-S162 PolarHBondContact O-N 3.39Å; S162-A165 WeakPolarHBondContact O-CB 3.29Å; S162-A165 PolarHBondContact O-N 3.05Å; S162-K166 PolarHBondContact O-N 3.33Å
163K93.1Very high91.6Very high63 Ų6345 Ų4527%0.27422%0.223SC..Hα-helixtrans-65.6-46.3-179.3-169.968.2174.5-172.80112I10 P13 D17 L20 L159 Y160 A161 A165 K166 L167I10-K163 HydrophobicContact CG2-CG 4.3Å; P13-K163 HydrophobicContact CB-CB 4.41Å; P13-K163 HydrophobicContact CG-CB 3.66Å; P13-K163 HydrophobicContact CG-CG 4.04Å; D17-K163 IonicContact OD2-NZ 3.65Å; L20-K163 HydrophobicContact CD2-CB 3.9Å; L20-K163 HydrophobicContact CD2-CD 3.9Å; L159-K163 PolarHBondContact O-N 3.14Å; Y160-K163 PolarHBondContact O-N 3.09Å; A161-K163 VanDerWaalsContact C-N 3.33Å; A161-K163 PolarHBondContact O-N 3.49Å; K163-A165 VanDerWaalsContact C-N 3.34Å; K163-K166 PolarHBondContact O-N 2.94Å; K163-L167 HydrophobicContact CG-CD1 3.98Å; K163-L167 WeakPolarHBondContact O-CG 3.39Å; K163-L167 PolarHBondContact O-N 3.12Å
164I93.4Very high92.1Very high0 Ų042.6 Ų42.60%021%0.211CC..Hα-helixtrans-66.5-38.9179.7-67.1169.4000110.5V2 V7 I10 I102 I127 L148 Y160 A161 K166 L167 N168V2-I164 HydrophobicContact CG1-CG2 4.4Å; V2-I164 HydrophobicContact CG2-CG2 4.31Å; V7-I164 HydrophobicContact CB-CD1 4.18Å; V7-I164 HydrophobicContact CB-CG1 4.4Å; V7-I164 HydrophobicContact CG1-CB 4.42Å; V7-I164 HydrophobicContact CG1-CD1 4.04Å; V7-I164 HydrophobicContact CG1-CG1 3.79Å; V7-I164 HydrophobicContact CG1-CG2 3.85Å; I10-I164 HydrophobicContact CD1-CG1 3.9Å; I102-I164 HydrophobicContact CD1-CB 3.78Å; I102-I164 HydrophobicContact CD1-CG2 3.54Å; I127-I164 HydrophobicContact CD1-CD1 3.74Å; I127-I164 HydrophobicContact CG1-CD1 4.5Å; L148-I164 HydrophobicContact CD1-CD1 4.33Å; Y160-I164 WeakPolarHBondContact O-CB 3.37Å; Y160-I164 WeakPolarHBondContact O-CG1 3.3Å; Y160-I164 PolarHBondContact O-N 3.3Å; A161-I164 PolarHBondContact O-N 3.45Å; I164-K166 VanDerWaalsContact C-N 3.34Å; I164-K166 PolarHBondContact O-N 3.11Å; I164-L167 PolarHBondContact O-N 3.11Å; I164-N168 WeakPolarHBondContact O-CB 3.47Å; I164-N168 PolarHBondContact O-N 3.31Å; I164-N168 PolarHBondContact O-ND2 3.46Å
165A93.7Very high92.6Very high8 Ų839 Ų397%0.06619%0.19CC..Hα-helixtrans-55-51.7174.100000110.7I102 A161 S162 K163 N168 N169 L170 L172I102-A165 HydrophobicContact CG2-CB 3.42Å; I102-A165 VanDerWaalsContact CG2-CB 3.42Å; A161-A165 WeakPolarHBondContact O-CB 3.34Å; A161-A165 PolarHBondContact O-N 3.36Å; S162-A165 WeakPolarHBondContact O-CB 3.29Å; S162-A165 PolarHBondContact O-N 3.05Å; K163-A165 VanDerWaalsContact C-N 3.34Å; A165-N168 PolarHBondContact O-N 3.4Å; A165-N169 CarbonylContact O-C 3.56Å; A165-N169 WeakPolarHBondContact O-CA 3.25Å; A165-N169 PolarHBondContact O-N 3.35Å; A165-L170 PolarHBondContact O-N 3.18Å; A165-L172 HydrophobicContact CB-CB 4.33Å
166K90.6Very high93.1Very high108 Ų10835.2 Ų35.247%0.4717%0.172SC..Hα-helixtrans-63.9-46.5-179.7-169.3169.2-173.7174.10112.4D19 S162 K163 I164 N168 N169D19-K166 HydrophobicContact CB-CD 4.12Å; D19-K166 IonicContact OD1-NZ 2.6Å; D19-K166 PolarHBondContact OD1-NZ 3.44Å; D19-K166 IonicContact OD2-NZ 3.25Å; D19-K166 PolarHBondContact OD2-NZ 3.33Å; S162-K166 PolarHBondContact O-N 3.33Å; K163-K166 PolarHBondContact O-N 2.94Å; I164-K166 VanDerWaalsContact C-N 3.34Å; I164-K166 PolarHBondContact O-N 3.11Å; K166-N168 VanDerWaalsContact C-N 3.33Å; K166-N168 PolarHBondContact O-N 3.16Å; K166-N169 PolarHBondContact O-N 2.97Å
167L90.8Very high93.4Very high106 Ų10633.7 Ų33.756%0.55517%0.166SC*.Hα-helixtrans-64-36.4-178.5-72167.1000113.1I10 K163 I164I10-L167 HydrophobicContact CD1-CD1 3.68Å; K163-L167 HydrophobicContact CG-CD1 3.98Å; K163-L167 WeakPolarHBondContact O-CG 3.39Å; K163-L167 PolarHBondContact O-N 3.12Å; I164-L167 PolarHBondContact O-N 3.11Å
168N90.6Very high93.7Very high38 Ų3834 Ų3420%0.20317%0.167CC..Hα-helixtrans-101.16.2-177.4-65.7-92.8000112.8I164 A165 K166 L170I164-N168 WeakPolarHBondContact O-CB 3.47Å; I164-N168 PolarHBondContact O-N 3.31Å; I164-N168 PolarHBondContact O-ND2 3.46Å; A165-N168 PolarHBondContact O-N 3.4Å; K166-N168 VanDerWaalsContact C-N 3.33Å; K166-N168 PolarHBondContact O-N 3.16Å; N168-L170 VanDerWaalsContact C-N 3.26Å; N168-L170 HydrophobicContact CB-CD1 4.04Å; N168-L170 HydrophobicContact CB-CD2 4.4Å; N168-L170 HydrophobicContact CB-CG 3.81Å; N168-L170 PolarHBondContact O-N 2.93Å
169N92.2Very high94Very high96 Ų9630.3 Ų30.351%0.51315%0.152SC..THydrogen-bonded Turntrans52.341.9-177.8-16626.9000113.3R99 A165 K166R99-N169 WeakPolarHBondContact CD-ND2 3.49Å; R99-N169 WeakPolarHBondContact CD-O 3.27Å; R99-N169 PolarHBondContact NH1-ND2 3.21Å; R99-N169 PolarHBondContact NH1-O 3.37Å; R99-N169 PolarHBondContact NH1-OD1 3.49Å; A165-N169 CarbonylContact O-C 3.56Å; A165-N169 WeakPolarHBondContact O-CA 3.25Å; A165-N169 PolarHBondContact O-N 3.35Å; K166-N169 PolarHBondContact O-N 2.97Å
170L94.2Very high94.3Very high16 Ų1631.9 Ų31.98%0.08416%0.159CC..PPolyproline II helixtrans-93.2150.1177.8-53.6175000110.5V2 R99 I102 A165 N168 L172V2-L170 HydrophobicContact CG2-CD1 3.48Å; V2-L170 VanDerWaalsContact CG2-CD1 3.48Å; R99-L170 WeakPolarHBondContact O-CD2 3.31Å; I102-L170 HydrophobicContact CB-CB 4.3Å; I102-L170 HydrophobicContact CB-CD1 3.97Å; I102-L170 HydrophobicContact CD1-CD1 4.41Å; I102-L170 HydrophobicContact CG2-CB 3.8Å; I102-L170 HydrophobicContact CG2-CD1 4.22Å; A165-L170 PolarHBondContact O-N 3.18Å; N168-L170 VanDerWaalsContact C-N 3.26Å; N168-L170 HydrophobicContact CB-CD1 4.04Å; N168-L170 HydrophobicContact CB-CD2 4.4Å; N168-L170 HydrophobicContact CB-CG 3.81Å; N168-L170 PolarHBondContact O-N 2.93Å; L170-L172 PolarHBondContact O-N 3.37Å
171L94.9Very high94.5Very high32 Ų3230.6 Ų30.617%0.16815%0.154CC..EExtended strand (participates in β ladder)trans-79.2123.1170.9-175.870.1000110.2L92 G100 V101 I102 I173L92-L171 HydrophobicContact CD2-CD2 3.29Å; G100-L171 PolarHBondContact O-N 3.44Å; V101-L171 CarbonylContact C-O 3.55Å; V101-L171 VanDerWaalsContact CA-O 3.27Å; V101-L171 WeakPolarHBondContact CA-O 3.37Å; V101-L171 WeakPolarHBondContact CB-O 3.47Å; V101-L171 HydrophobicContact CG1-CB 4.32Å; I102-L171 PolarHBondContact N-O 2.89Å; L171-I173 HydrophobicContact CD2-CG1 4.25Å; L171-I173 HydrophobicContact CG-CG1 4.41Å
172L95.7Very high94.7Very high21 Ų2130.6 Ų30.611%0.1115%0.154CC..EExtended strand (participates in β ladder)trans-77.7122.9170.8-17572.2000109.6D22 I102 A161 A165 L170D22-L172 HydrophobicContact CB-CD2 4.04Å; I102-L172 HydrophobicContact CG2-CB 4.34Å; I102-L172 HydrophobicContact CG2-CD1 4.02Å; I102-L172 CarbonylContact O-C 3.56Å; I102-L172 VanDerWaalsContact O-CA 3.32Å; I102-L172 WeakPolarHBondContact O-CA 3.45Å; A161-L172 HydrophobicContact CB-CD1 3.97Å; A165-L172 HydrophobicContact CB-CB 4.33Å; L170-L172 PolarHBondContact O-N 3.37Å
173I96.2Very high95Very high1 Ų130.1 Ų30.11%0.00515%0.15CC..  trans-109101.1174.5-62.3-177.6000109.6A88 L89 V101 I102 H109 L113 L171 G175 I181A88-I173 HydrophobicContact CB-CD1 4.22Å; A88-I173 HydrophobicContact CB-CG2 4.29Å; L89-I173 HydrophobicContact CD2-CD1 4.16Å; V101-I173 HydrophobicContact CB-CD1 3.98Å; V101-I173 HydrophobicContact CB-CG1 4.29Å; V101-I173 HydrophobicContact CG1-CD1 3.78Å; V101-I173 HydrophobicContact CG1-CG1 4.39Å; V101-I173 HydrophobicContact CG2-CD1 4.22Å; I102-I173 PolarHBondContact O-N 3.23Å; H109-I173 PolarHBondContact NE2-O 3.37Å; H109-I173 VanDerWaalsContact NE2-O 3.11Å; L113-I173 HydrophobicContact CD1-CB 4.41Å; L113-I173 HydrophobicContact CD1-CG2 4.48Å; L113-I173 HydrophobicContact CD2-CD1 4.32Å; L171-I173 HydrophobicContact CD2-CG1 4.25Å; L171-I173 HydrophobicContact CG-CG1 4.41Å; I173-G175 PolarHBondContact O-N 2.89Å; I173-I181 HydrophobicContact CG2-CD1 3.84Å; I173-I181 HydrophobicContact CG2-CG1 3.84Å
174N94.7Very high95.2Very high18 Ų1827.1 Ų27.110%0.09614%0.137CC..  trans-68.1120172.6-174.8-25.3000110.8S25 Y176 D177 H178 I181S25-N174 PolarHBondContact OG-ND2 3.37Å; N174-Y176 PolarHBondContact O-N 3.29Å; N174-Y176 VanDerWaalsContact O-N 3.12Å; N174-Y176 PolarHBondContact OD1-N 2.84Å; N174-Y176 VanDerWaalsContact OD1-N 3.1Å; N174-D177 HydrophobicContact CB-CB 4.36Å; N174-D177 VanDerWaalsContact ND2-CB 3.31Å; N174-D177 WeakPolarHBondContact ND2-CB 3.37Å; N174-D177 PolarHBondContact OD1-N 2.66Å; N174-H178 WeakPolarHBondContact O-CB 3.48Å; N174-H178 PolarHBondContact O-N 3.33Å; N174-I181 WeakPolarHBondContact O-CG1 3.22Å
175G94.5Very high95.5Very high7 Ų727.1 Ų27.17%0.07214%0.137CC..THydrogen-bonded Turntrans-70.9-4.4-172.900000116.8K81 H109 I173 I181K81-G175 PolarHBondContact NZ-O 3.29Å; H109-G175 WeakPolarHBondContact CD2-CA 3.36Å; H109-G175 WeakPolarHBondContact CE1-CA 3.2Å; H109-G175 WeakPolarHBondContact ND1-CA 3.39Å; H109-G175 WeakPolarHBondContact NE2-CA 3.35Å; H109-G175 PolarHBondContact NE2-N 2.95Å; I173-G175 PolarHBondContact O-N 2.89Å; G175-I181 WeakPolarHBondContact O-CG2 3.32Å
176Y94.5Very high95.7Very high47 Ų4726.7 Ų26.718%0.18413%0.134CC..THydrogen-bonded Turntrans-133.4-15.8171.956-98.5000113.6N174 L182 G210 I263 S270N174-Y176 PolarHBondContact O-N 3.29Å; N174-Y176 VanDerWaalsContact O-N 3.12Å; N174-Y176 PolarHBondContact OD1-N 2.84Å; N174-Y176 VanDerWaalsContact OD1-N 3.1Å; Y176-L182 WeakPolarHBondContact O-CD1 3.3Å; Y176-G210 WeakPolarHBondContact O-CA 3.44Å; Y176-G210 PolarHBondContact O-N 3.4Å; Y176-I263 HydrophobicContact CD1-CD1 4.37Å; Y176-I263 HydrophobicContact CE1-CD1 3.96Å; Y176-I263 HydrophobicContact CE1-CG1 4.48Å; Y176-I263 HydrophobicContact CE1-CG2 4.26Å; Y176-I263 HydrophobicContact CE2-CG2 4.48Å; Y176-S270 PolarHBondContact O-OG 3.18Å
177D96.1Very high96.1Very high4 Ų421.6 Ų21.62%0.02111%0.112CC..THydrogen-bonded Turntrans-118.3-2.6-172.3-145.631.5000115.5N174 G267 V268 N269 S270N174-D177 HydrophobicContact CB-CB 4.36Å; N174-D177 VanDerWaalsContact ND2-CB 3.31Å; N174-D177 WeakPolarHBondContact ND2-CB 3.37Å; N174-D177 PolarHBondContact OD1-N 2.66Å; D177-G267 VanDerWaalsContact CG-C 3.5Å; D177-G267 WeakPolarHBondContact OD1-CA 3.43Å; D177-G267 WeakPolarHBondContact OD2-CA 3.21Å; D177-V268 VanDerWaalsContact CG-N 3.28Å; D177-V268 PolarHBondContact OD1-N 3.09Å; D177-V268 VanDerWaalsContact OD1-N 3.15Å; D177-V268 PolarHBondContact OD2-N 2.89Å; D177-N269 PolarHBondContact O-ND2 2.98Å; D177-N269 WeakPolarHBondContact OD1-CB 3.39Å; D177-N269 PolarHBondContact OD1-N 3.3Å; D177-N269 PolarHBondContact OD2-N 3.07Å; D177-S270 PolarHBondContact OD1-N 2.84Å; D177-S270 PolarHBondContact OD1-OG 3.23Å
178H97.1Very high96.5Very high6 Ų616.5 Ų16.53%0.0289%0.085CC..SBendtrans-75133.7175.2-170.6-69000110.9N24 N174 H180 I181 L182N24-H178 PolarHBondContact ND2-NE2 2.9Å; N174-H178 WeakPolarHBondContact O-CB 3.48Å; N174-H178 PolarHBondContact O-N 3.33Å; H178-H180 VanDerWaalsContact C-N 3.34Å; H178-H180 AromaticContact CE1-CD2 3.39Å; H178-H180 PolarHBondContact CE1-CD2 3Å; H178-H180 AromaticContact CE1-CG 3.69Å; H178-H180 AromaticContact ND1-CG 3.89Å; H178-H180 PolarHBondContact ND1-N 3.32Å; H178-H180 VanDerWaalsContact ND1-N 3.17Å; H178-H180 PolarHBondContact O-N 3.4Å; H178-I181 HydrophobicContact CB-CB 4.06Å; H178-I181 HydrophobicContact CB-CG1 3.71Å; H178-I181 WeakPolarHBondContact O-CA 3.41Å; H178-I181 VanDerWaalsContact O-CB 3.24Å; H178-I181 WeakPolarHBondContact O-CB 3.31Å; H178-I181 PolarHBondContact O-N 2.83Å; H178-L182 WeakPolarHBondContact O-CD1 3.37Å; H178-L182 PolarHBondContact O-N 3.44Å
179P97.7Very high96.9Very high11 Ų1114.7 Ų14.77%0.0718%0.075CC..Hα-helixtrans-54.5-42.2-177-28.935.6000114.7K31 I33 I181 L182 S183K31-P179 HydrophobicContact CB-CG 3.65Å; K31-P179 HydrophobicContact CD-CG 3.7Å; K31-P179 HydrophobicContact CG-CG 4.31Å; I33-P179 HydrophobicContact CG2-CB 3.86Å; P179-I181 VanDerWaalsContact C-N 3.29Å; P179-I181 PolarHBondContact O-N 3.07Å; P179-L182 PolarHBondContact O-N 3.13Å; P179-S183 PolarHBondContact O-N 2.87Å; P179-S183 PolarHBondContact O-OG 3.39Å
180H98.2Very high97.2Very high50 Ų5011 Ų1123%0.2316%0.056CC..Hα-helixtrans-66.9-27.5173.7-54-26.9000113.8N87 A88 Q91 H178 S183 G184N87-H180 PolarHBondContact ND2-O 2.87Å; A88-H180 HydrophobicContact CB-CB 3.87Å; Q91-H180 PolarHBondContact OE1-CE1 3.5Å; Q91-H180 VanDerWaalsContact OE1-CE1 3.26Å; Q91-H180 PolarHBondContact OE1-ND1 3.27Å; H178-H180 VanDerWaalsContact C-N 3.34Å; H178-H180 AromaticContact CE1-CD2 3.39Å; H178-H180 PolarHBondContact CE1-CD2 3Å; H178-H180 AromaticContact CE1-CG 3.69Å; H178-H180 AromaticContact ND1-CG 3.89Å; H178-H180 PolarHBondContact ND1-N 3.32Å; H178-H180 VanDerWaalsContact ND1-N 3.17Å; H178-H180 PolarHBondContact O-N 3.4Å; H180-S183 VanDerWaalsContact CA-OG 3.31Å; H180-S183 WeakPolarHBondContact CA-OG 3.36Å; H180-S183 PolarHBondContact O-OG 3.07Å; H180-G184 PolarHBondContact O-N 3.35Å; H180-G184 VanDerWaalsContact O-N 3.16Å
181I98.5Very high97.4Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-67.5-52.5171.2-66.7-79.1000108.6G84 A88 I173 N174 G175 H178 P179 S183 G184 Q185G84-I181 VanDerWaalsContact C-CD1 3.46Å; G84-I181 WeakPolarHBondContact O-CD1 3.49Å; A88-I181 HydrophobicContact CB-CD1 4.05Å; A88-I181 HydrophobicContact CB-CG1 4.2Å; I173-I181 HydrophobicContact CG2-CD1 3.84Å; I173-I181 HydrophobicContact CG2-CG1 3.84Å; N174-I181 WeakPolarHBondContact O-CG1 3.22Å; G175-I181 WeakPolarHBondContact O-CG2 3.32Å; H178-I181 HydrophobicContact CB-CB 4.06Å; H178-I181 HydrophobicContact CB-CG1 3.71Å; H178-I181 WeakPolarHBondContact O-CA 3.41Å; H178-I181 VanDerWaalsContact O-CB 3.24Å; H178-I181 WeakPolarHBondContact O-CB 3.31Å; H178-I181 PolarHBondContact O-N 2.83Å; P179-I181 VanDerWaalsContact C-N 3.29Å; P179-I181 PolarHBondContact O-N 3.07Å; I181-S183 PolarHBondContact O-N 2.82Å; I181-G184 PolarHBondContact O-N 2.81Å; I181-Q185 HydrophobicContact CG2-CG 4.25Å; I181-Q185 WeakPolarHBondContact O-CG 3.24Å; I181-Q185 PolarHBondContact O-N 2.87Å
182L98.7Very high97.6Very high0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-53.9-53.1179.4-83.864.9000111.7I33 Y176 H178 P179 G184 Q185 G186 A213 G214 N269I33-L182 HydrophobicContact CD1-CB 3.69Å; I33-L182 HydrophobicContact CD1-CD2 4.49Å; I33-L182 HydrophobicContact CG1-CB 4.23Å; I33-L182 HydrophobicContact CG1-CD2 4.25Å; I33-L182 HydrophobicContact CG2-CB 4.35Å; Y176-L182 WeakPolarHBondContact O-CD1 3.3Å; H178-L182 WeakPolarHBondContact O-CD1 3.37Å; H178-L182 PolarHBondContact O-N 3.44Å; P179-L182 PolarHBondContact O-N 3.13Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.37Å; L182-Q185 PolarHBondContact O-N 3.47Å; L182-Q185 VanDerWaalsContact O-N 3.11Å; L182-G186 PolarHBondContact O-N 3.09Å; L182-A213 HydrophobicContact CD2-CB 3.81Å; L182-A213 HydrophobicContact CG-CB 4.06Å; L182-G214 WeakPolarHBondContact O-CA 3.25Å; L182-N269 HydrophobicContact CD2-CB 4.22Å
183S98.7Very high97.7Very high0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-61.4-38.5-178.946.80000112.3N87 P179 H180 I181 G186N87-S183 PolarHBondContact ND2-OG 3.03Å; P179-S183 PolarHBondContact O-N 2.87Å; P179-S183 PolarHBondContact O-OG 3.39Å; H180-S183 VanDerWaalsContact CA-OG 3.31Å; H180-S183 WeakPolarHBondContact CA-OG 3.36Å; H180-S183 PolarHBondContact O-OG 3.07Å; I181-S183 PolarHBondContact O-N 2.82Å; S183-G186 PolarHBondContact O-N 3.4Å
184G98.8Very high97.8Very high0 Ų014.6 Ų14.60%07%0.071CC..Hα-helixtrans-64.6-41.4173.600000112.6R83 N87 H180 I181 L182 G186 T187R83-G184 VanDerWaalsContact CB-O 3.3Å; R83-G184 WeakPolarHBondContact CB-O 3.45Å; N87-G184 PolarHBondContact ND2-N 3.24Å; H180-G184 PolarHBondContact O-N 3.35Å; H180-G184 VanDerWaalsContact O-N 3.16Å; I181-G184 PolarHBondContact O-N 2.81Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.37Å; G184-G186 VanDerWaalsContact C-N 3.28Å; G184-G186 PolarHBondContact O-N 3.06Å; G184-T187 WeakPolarHBondContact O-CB 3.33Å; G184-T187 VanDerWaalsContact O-CG2 3.3Å; G184-T187 WeakPolarHBondContact O-CG2 3.38Å; G184-T187 PolarHBondContact O-N 3.4Å; G184-T187 PolarHBondContact O-OG1 3.08Å
185Q98.8Very high98Very high0 Ų016.3 Ų16.30%08%0.079CC..Hα-helixtrans-66.8-32.2175.5-48.1-40.9-300112.3F80 I181 L182 T187 I188 L211F80-Q185 HydrophobicContact CD2-CB 4.45Å; F80-Q185 HydrophobicContact CD2-CG 4.14Å; F80-Q185 HydrophobicContact CE2-CB 4.43Å; F80-Q185 HydrophobicContact CE2-CG 3.87Å; F80-Q185 PolarHBondContact O-OE1 3.37Å; I181-Q185 HydrophobicContact CG2-CG 4.25Å; I181-Q185 WeakPolarHBondContact O-CG 3.24Å; I181-Q185 PolarHBondContact O-N 2.87Å; L182-Q185 PolarHBondContact O-N 3.47Å; L182-Q185 VanDerWaalsContact O-N 3.11Å; Q185-T187 PolarHBondContact O-N 3.07Å; Q185-T187 VanDerWaalsContact O-N 3.15Å; Q185-I188 WeakPolarHBondContact O-CB 3.44Å; Q185-I188 WeakPolarHBondContact O-CG1 3.24Å; Q185-I188 PolarHBondContact O-N 2.83Å; Q185-I188 VanDerWaalsContact O-N 3.14Å; Q185-L211 HydrophobicContact CB-CD1 4.08Å
186G98.7Very high98.2Very high0 Ų016.2 Ų16.20%08%0.077CC..Hα-helixtrans-61.3-20.9177.800000114.6L182 S183 G184 I188 G189 G214 A218L182-G186 PolarHBondContact O-N 3.09Å; S183-G186 PolarHBondContact O-N 3.4Å; G184-G186 VanDerWaalsContact C-N 3.28Å; G184-G186 PolarHBondContact O-N 3.06Å; G186-I188 PolarHBondContact O-N 2.9Å; G186-I188 VanDerWaalsContact O-N 3.09Å; G186-G189 PolarHBondContact O-N 2.93Å; G186-G214 WeakPolarHBondContact CA-O 3.48Å; G186-A218 VanDerWaalsContact O-CB 3.27Å; G186-A218 WeakPolarHBondContact O-CB 3.32Å
187T98.9Very high98.4Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-56.6-27.3174.664.20000112.3A41 S42 I45 R83 G184 Q185 G189 V190 E191A41-T187 HydrophobicContact CB-CG2 3.96Å; S42-T187 VanDerWaalsContact CA-CG2 3.5Å; I45-T187 HydrophobicContact CD1-CG2 3.82Å; R83-T187 WeakPolarHBondContact CD-OG1 3.37Å; R83-T187 PolarHBondContact NH1-OG1 2.99Å; G184-T187 WeakPolarHBondContact O-CB 3.33Å; G184-T187 VanDerWaalsContact O-CG2 3.3Å; G184-T187 WeakPolarHBondContact O-CG2 3.38Å; G184-T187 PolarHBondContact O-N 3.4Å; G184-T187 PolarHBondContact O-OG1 3.08Å; Q185-T187 PolarHBondContact O-N 3.07Å; Q185-T187 VanDerWaalsContact O-N 3.15Å; T187-G189 VanDerWaalsContact C-N 3.29Å; T187-G189 PolarHBondContact O-N 3.16Å; T187-V190 WeakPolarHBondContact O-CB 3.13Å; T187-V190 PolarHBondContact O-N 3.35Å; T187-E191 WeakPolarHBondContact O-CG 3.39Å; T187-E191 PolarHBondContact O-N 2.89Å
188I98.9Very high98.5Very high0 Ų021.1 Ų21.10%011%0.11CC..Hα-helixtrans-60.1-40.4173.9-66.3164.1000111.5K70 E72 F80 R83 Q185 G186 V190 E191 I192 L211 L215 I331K70-I188 HydrophobicContact CG-CG2 4.05Å; E72-I188 HydrophobicContact CG-CD1 4.01Å; E72-I188 HydrophobicContact CG-CG1 4.41Å; F80-I188 HydrophobicContact CB-CD1 3.79Å; F80-I188 HydrophobicContact CD2-CD1 4.29Å; F80-I188 HydrophobicContact CG-CD1 4.43Å; R83-I188 VanDerWaalsContact CD-CG1 3.41Å; R83-I188 VanDerWaalsContact NE-CG1 3.28Å; Q185-I188 WeakPolarHBondContact O-CB 3.44Å; Q185-I188 WeakPolarHBondContact O-CG1 3.24Å; Q185-I188 PolarHBondContact O-N 2.83Å; Q185-I188 VanDerWaalsContact O-N 3.14Å; G186-I188 PolarHBondContact O-N 2.9Å; G186-I188 VanDerWaalsContact O-N 3.09Å; I188-V190 VanDerWaalsContact C-N 3.33Å; I188-V190 PolarHBondContact O-N 2.92Å; I188-E191 PolarHBondContact O-N 2.79Å; I188-I192 HydrophobicContact CG2-CD1 3.66Å; I188-I192 HydrophobicContact CG2-CG1 4.22Å; I188-I192 WeakPolarHBondContact O-CB 3.49Å; I188-I192 VanDerWaalsContact O-CG1 3.25Å; I188-I192 WeakPolarHBondContact O-CG1 3.35Å; I188-I192 PolarHBondContact O-N 2.95Å; I188-L211 HydrophobicContact CD1-CD1 3.52Å; I188-L215 HydrophobicContact CG2-CD1 4.28Å; I188-I331 HydrophobicContact CG2-CD1 4.09Å
189G98.8Very high98.6Very high0 Ų021 Ų210%011%0.11CC..Hα-helixtrans-63.1-40.2177.800000112G186 T187 I192 L193G186-G189 PolarHBondContact O-N 2.93Å; T187-G189 VanDerWaalsContact C-N 3.29Å; T187-G189 PolarHBondContact O-N 3.16Å; G189-I192 PolarHBondContact O-N 2.86Å; G189-L193 WeakPolarHBondContact O-CG 3.21Å; G189-L193 PolarHBondContact O-N 2.86Å; G189-L193 VanDerWaalsContact O-N 3.14Å
190V98.6Very high98.6Very high18 Ų1823.3 Ų23.311%0.10912%0.122CC..Hα-helixtrans-61.1-51.2174.6-177.20000110.3F35 V38 T187 I188 I192 L193 E194 A218 I222F35-V190 HydrophobicContact CE2-CG2 4.31Å; V38-V190 HydrophobicContact CG1-CG2 4.07Å; T187-V190 WeakPolarHBondContact O-CB 3.13Å; T187-V190 PolarHBondContact O-N 3.35Å; I188-V190 VanDerWaalsContact C-N 3.33Å; I188-V190 PolarHBondContact O-N 2.92Å; V190-I192 VanDerWaalsContact C-N 3.33Å; V190-I192 PolarHBondContact O-N 2.86Å; V190-L193 PolarHBondContact O-N 2.95Å; V190-E194 WeakPolarHBondContact O-CG 3.49Å; V190-E194 PolarHBondContact O-N 3.24Å; V190-E194 VanDerWaalsContact O-N 3.07Å; V190-A218 HydrophobicContact CG2-CB 4.14Å; V190-I222 HydrophobicContact CG2-CD1 4.49Å
191E98.8Very high98.7Very high13 Ų1321 Ų216%0.06111%0.111CC..Hα-helixtrans-63.2-37.8-179.6-61-174-175.300112.6Y51 K70 R83 T187 I188 L193 E194 Q195Y51-E191 HydrophobicContact CD2-CB 4.41Å; Y51-E191 HydrophobicContact CD2-CG 3.77Å; Y51-E191 HydrophobicContact CE2-CB 3.82Å; Y51-E191 HydrophobicContact CE2-CG 3.49Å; Y51-E191 VanDerWaalsContact CE2-CG 3.49Å; K70-E191 WeakPolarHBondContact CE-OE2 3.49Å; K70-E191 IonicContact NZ-OE2 3.51Å; K70-E191 PolarHBondContact NZ-OE2 3.49Å; R83-E191 IonicContact CZ-OE1 2.8Å; R83-E191 IonicContact CZ-OE2 3.84Å; R83-E191 VanDerWaalsContact NH1-CD 3.31Å; R83-E191 IonicContact NH1-OE1 3.43Å; R83-E191 PolarHBondContact NH1-OE1 2.78Å; R83-E191 IonicContact NH1-OE2 2.81Å; R83-E191 VanDerWaalsContact NH2-CD 3.31Å; R83-E191 IonicContact NH2-OE1 3.77Å; R83-E191 PolarHBondContact NH2-OE1 2.89Å; R83-E191 IonicContact NH2-OE2 2.7Å; R83-E191 PolarHBondContact NH2-OE2 3.3Å; T187-E191 WeakPolarHBondContact O-CG 3.39Å; T187-E191 PolarHBondContact O-N 2.89Å; I188-E191 PolarHBondContact O-N 2.79Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 2.76Å; E191-E194 PolarHBondContact O-N 2.77Å; E191-Q195 WeakPolarHBondContact O-CB 3.44Å; E191-Q195 WeakPolarHBondContact O-CG 3.27Å; E191-Q195 PolarHBondContact O-N 2.83Å; E191-Q195 PolarHBondContact O-OE1 3.4Å
192I98.9Very high98.7Very high0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-60.5-45.7176.3-73.9168.2000110.5K70 I188 G189 V190 E194 Q195 V196 I202 L215 V329 I331K70-I192 HydrophobicContact CB-CD1 4.3Å; K70-I192 HydrophobicContact CB-CG1 4.28Å; K70-I192 HydrophobicContact CD-CG1 4.09Å; K70-I192 HydrophobicContact CG-CD1 4.18Å; K70-I192 HydrophobicContact CG-CG1 4.02Å; I188-I192 HydrophobicContact CG2-CD1 3.66Å; I188-I192 HydrophobicContact CG2-CG1 4.22Å; I188-I192 WeakPolarHBondContact O-CB 3.49Å; I188-I192 VanDerWaalsContact O-CG1 3.25Å; I188-I192 WeakPolarHBondContact O-CG1 3.35Å; I188-I192 PolarHBondContact O-N 2.95Å; G189-I192 PolarHBondContact O-N 2.86Å; V190-I192 VanDerWaalsContact C-N 3.33Å; V190-I192 PolarHBondContact O-N 2.86Å; I192-E194 VanDerWaalsContact C-N 3.29Å; I192-E194 PolarHBondContact O-N 3.27Å; I192-Q195 PolarHBondContact O-N 3.41Å; I192-V196 PolarHBondContact O-N 2.85Å; I192-I202 HydrophobicContact CD1-CG2 4.15Å; I192-I202 HydrophobicContact CG2-CD1 3.78Å; I192-I202 HydrophobicContact CG2-CG1 4.26Å; I192-L215 HydrophobicContact CD1-CD1 4.19Å; I192-V329 HydrophobicContact CD1-CG1 3.84Å; I192-V329 HydrophobicContact CG1-CG1 4.08Å; I192-V329 HydrophobicContact CG2-CB 4.24Å; I192-V329 HydrophobicContact CG2-CG1 4.1Å; I192-V329 HydrophobicContact CG2-CG2 3.91Å; I192-I331 HydrophobicContact CD1-CD1 4.09Å; I192-I331 HydrophobicContact CD1-CG1 4.14Å
193L98.7Very high98.7Very high14 Ų1421 Ų217%0.07311%0.111CC..Hα-helixtrans-70.1-24.5-179.7-66.9-175.2000113.3G189 V190 E191 P197 V199 V219 I222 R223 V226G189-L193 WeakPolarHBondContact O-CG 3.21Å; G189-L193 PolarHBondContact O-N 2.86Å; G189-L193 VanDerWaalsContact O-N 3.14Å; V190-L193 PolarHBondContact O-N 2.95Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 2.76Å; L193-P197 WeakPolarHBondContact O-CA 3.37Å; L193-V199 HydrophobicContact CD2-CG1 3.65Å; L193-V219 HydrophobicContact CD1-CG1 4.49Å; L193-V219 HydrophobicContact CD1-CG2 4.39Å; L193-V219 HydrophobicContact CG-CG2 4.48Å; L193-I222 HydrophobicContact CD1-CB 3.59Å; L193-I222 HydrophobicContact CD1-CD1 3.91Å; L193-I222 HydrophobicContact CD1-CG1 4.33Å; L193-I222 HydrophobicContact CD1-CG2 3.75Å; L193-R223 HydrophobicContact CD1-CB 4.33Å; L193-R223 HydrophobicContact CD1-CG 4.27Å; L193-R223 HydrophobicContact CD2-CB 4.44Å; L193-R223 HydrophobicContact CD2-CG 4.34Å; L193-V226 HydrophobicContact CD2-CG2 4.47Å
194E98.3Very high98.7Very high118 Ų11821 Ų2155%0.55111%0.111SC*.Hα-helixtrans-74.1-42.3169.6-69.3173.8173.500112.1Y51 V190 E191 I192Y51-E194 PolarHBondContact OH-OE2 3.31Å; V190-E194 WeakPolarHBondContact O-CG 3.49Å; V190-E194 PolarHBondContact O-N 3.24Å; V190-E194 VanDerWaalsContact O-N 3.07Å; E191-E194 PolarHBondContact O-N 2.77Å; I192-E194 VanDerWaalsContact C-N 3.29Å; I192-E194 PolarHBondContact O-N 3.27Å
195Q98.8Very high98.7Very high55 Ų5521.2 Ų21.226%0.25711%0.113SC..Hα-helixtrans-81.9-31.4-173.3-66.9176.4-57.200113.3Y51 T52 C54 E191 I192Y51-Q195 HydrophobicContact CE1-CG 3.94Å; Y51-Q195 VanDerWaalsContact OH-CG 3.26Å; Y51-Q195 WeakPolarHBondContact OH-CG 3.39Å; T52-Q195 PolarHBondContact O-NE2 3Å; T52-Q195 PolarHBondContact O-OE1 3.05Å; C54-Q195 HydrophobicContact CB-CB 3.84Å; C54-Q195 HydrophobicContact CB-CG 4.35Å; E191-Q195 WeakPolarHBondContact O-CB 3.44Å; E191-Q195 WeakPolarHBondContact O-CG 3.27Å; E191-Q195 PolarHBondContact O-N 2.83Å; E191-Q195 PolarHBondContact O-OE1 3.4Å; I192-Q195 PolarHBondContact O-N 3.41Å
196V98.7Very high98.7Very high4 Ų421.2 Ų21.22%0.02411%0.113CC..SBendtrans-133.473.3179.2-167.60000108.2C54 Y68 I192 D198 V199 V329C54-V196 HydrophobicContact CB-CG2 4.46Å; Y68-V196 HydrophobicContact CD1-CG1 4.48Å; Y68-V196 HydrophobicContact CD1-CG2 3.62Å; Y68-V196 HydrophobicContact CD2-CG1 4.3Å; Y68-V196 HydrophobicContact CE1-CG1 4.47Å; Y68-V196 HydrophobicContact CE1-CG2 4.09Å; Y68-V196 HydrophobicContact CE2-CG1 4.29Å; Y68-V196 HydrophobicContact CG-CG1 4.43Å; Y68-V196 HydrophobicContact CG-CG2 3.95Å; I192-V196 PolarHBondContact O-N 2.85Å; V196-D198 PolarHBondContact O-N 3.2Å; V196-D198 VanDerWaalsContact O-N 3.12Å; V196-V199 HydrophobicContact CB-CB 4.37Å; V196-V199 HydrophobicContact CG1-CB 4.01Å; V196-V199 WeakPolarHBondContact O-CB 3.37Å; V196-V199 PolarHBondContact O-N 2.9Å; V196-V199 VanDerWaalsContact O-N 3.14Å; V196-V329 HydrophobicContact CB-CG2 4.29Å; V196-V329 HydrophobicContact CG1-CG2 4.48Å; V196-V329 HydrophobicContact CG2-CG2 4.17Å
197P98.2Very high98.5Very high76 Ų7621.7 Ų21.749%0.49412%0.117SC..THydrogen-bonded Turntrans-63.9-23.2-168.424.6-34.9000113.8L193 R223L193-P197 WeakPolarHBondContact O-CA 3.37Å; P197-R223 PolarHBondContact O-NH1 2.96Å
198D98.1Very high98.2Very high78 Ų7821.9 Ų21.942%0.41712%0.119SC..THydrogen-bonded Turntrans-108.732.3178.865.6-17.6000113.3V196 K327V196-D198 PolarHBondContact O-N 3.2Å; V196-D198 VanDerWaalsContact O-N 3.12Å; D198-K327 WeakPolarHBondContact OD1-CD 3.46Å; D198-K327 IonicContact OD1-NZ 2.59Å; D198-K327 PolarHBondContact OD1-NZ 3.45Å; D198-K327 IonicContact OD2-NZ 2.6Å; D198-K327 PolarHBondContact OD2-NZ 3.17Å
199V98.9Very high98.2Very high3 Ų322 Ų222%0.01812%0.121CC..  trans-58.9136.4171.364.60000111L193 V196 A201 I202 V226 V329L193-V199 HydrophobicContact CD2-CG1 3.65Å; V196-V199 HydrophobicContact CB-CB 4.37Å; V196-V199 HydrophobicContact CG1-CB 4.01Å; V196-V199 WeakPolarHBondContact O-CB 3.37Å; V196-V199 PolarHBondContact O-N 2.9Å; V196-V199 VanDerWaalsContact O-N 3.14Å; V199-A201 WeakPolarHBondContact CG2-O 3.27Å; V199-I202 HydrophobicContact CG2-CG1 4.01Å; V199-V226 HydrophobicContact CG1-CG1 4.16Å; V199-V226 HydrophobicContact CG1-CG2 4.04Å; V199-V226 WeakPolarHBondContact O-CG2 3.27Å; V199-V329 HydrophobicContact CB-CG2 4.36Å; V199-V329 HydrophobicContact CG2-CB 4.23Å; V199-V329 HydrophobicContact CG2-CG2 3.64Å
200D98.8Very high98.1Very high61 Ų6122.1 Ų22.133%0.32612%0.122SC..  trans-92.3-37.6174.4-66.2-85.3000111.3M227 K326 K327D200-M227 PolarHBondContact O-N 3.27Å; D200-K326 HydrophobicContact CB-CB 3.88Å; D200-K326 HydrophobicContact CB-CD 4.3Å; D200-K326 HydrophobicContact CB-CG 4.38Å; D200-K326 IonicContact OD1-NZ 2.69Å; D200-K327 WeakPolarHBondContact CB-O 3.28Å; D200-K327 PolarHBondContact N-O 2.9Å; D200-K327 PolarHBondContact OD2-N 3.38Å
201A98.9Very high98.1Very high0 Ų021.6 Ų21.60%012%0.118CC..EExtended strand (participates in β ladder)trans-145.2150.1-177.700000114V199 M227 L323 K327 V328 V329V199-A201 WeakPolarHBondContact CG2-O 3.27Å; A201-M227 CarbonylContact C-O 3.52Å; A201-M227 WeakPolarHBondContact CA-O 3.45Å; A201-M227 HydrophobicContact CB-CB 3.99Å; A201-L323 HydrophobicContact CB-CD1 4.35Å; A201-L323 HydrophobicContact CB-CD2 3.53Å; A201-K327 PolarHBondContact N-O 3.13Å; A201-K327 VanDerWaalsContact N-O 3.16Å; A201-V328 HydrophobicContact CB-CG1 4.36Å; A201-V328 HydrophobicContact CB-CG2 4.43Å; A201-V328 CarbonylContact O-C 3.39Å; A201-V328 WeakPolarHBondContact O-CA 3.44Å; A201-V329 PolarHBondContact O-N 3.11Å
202I98.9Very high98.1Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-126.9124.9175.7-54.5171.6000109.4I192 V199 V204 L215 V219 V226 M227 V229 V329 I331I192-I202 HydrophobicContact CD1-CG2 4.15Å; I192-I202 HydrophobicContact CG2-CD1 3.78Å; I192-I202 HydrophobicContact CG2-CG1 4.26Å; V199-I202 HydrophobicContact CG2-CG1 4.01Å; I202-V204 HydrophobicContact CG2-CG2 3.99Å; I202-L215 HydrophobicContact CD1-CD2 4.38Å; I202-L215 HydrophobicContact CG2-CD1 4.12Å; I202-L215 HydrophobicContact CG2-CD2 4.23Å; I202-V219 HydrophobicContact CD1-CB 4.49Å; I202-V219 HydrophobicContact CD1-CG1 4.04Å; I202-V219 HydrophobicContact CD1-CG2 3.67Å; I202-V226 HydrophobicContact CD1-CG1 3.98Å; I202-V226 HydrophobicContact CG1-CG1 3.95Å; I202-M227 PolarHBondContact N-O 2.92Å; I202-V229 PolarHBondContact O-N 2.94Å; I202-V329 CarbonylContact C-O 3.57Å; I202-V329 WeakPolarHBondContact CA-O 3.43Å; I202-V329 HydrophobicContact CG1-CB 4.29Å; I202-V329 HydrophobicContact CG2-CB 4.47Å; I202-I331 HydrophobicContact CG2-CD1 4.14Å; I202-I331 HydrophobicContact CG2-CG1 4.32Å
203I98.9Very high98.1Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-102.2123.2177.5-55.5172.3000109.7V229 V231 L314 I315 L323 V328 V329 I331I203-V229 CarbonylContact C-O 3.34Å; I203-V229 WeakPolarHBondContact CA-O 3.34Å; I203-V229 HydrophobicContact CG1-CB 4.41Å; I203-V231 HydrophobicContact CG2-CB 4.4Å; I203-V231 HydrophobicContact CG2-CG1 3.97Å; I203-L314 HydrophobicContact CD1-CD2 4.14Å; I203-L314 HydrophobicContact CG1-CD2 4.33Å; I203-L314 HydrophobicContact CG2-CB 4.29Å; I203-L314 HydrophobicContact CG2-CD2 3.61Å; I203-I315 HydrophobicContact CD1-CD1 3.35Å; I203-I315 HydrophobicContact CD1-CG1 3.75Å; I203-L323 HydrophobicContact CD1-CD1 4.38Å; I203-V328 HydrophobicContact CD1-CG1 3.76Å; I203-V328 HydrophobicContact CG1-CG1 3.98Å; I203-V329 PolarHBondContact N-O 3.4Å; I203-I331 PolarHBondContact O-N 3.47Å
204V98.8Very high98.1Very high0 Ų020.3 Ų20.30%011%0.112CC..EExtended strand (participates in β ladder)trans-121.8120.9-168.5-171.60000110.6I202 V206 L211 L212 L215 I228 V229 G230 V231 I331I202-V204 HydrophobicContact CG2-CG2 3.99Å; V204-V206 WeakPolarHBondContact O-CG2 3.38Å; V204-V206 PolarHBondContact O-N 2.91Å; V204-L211 HydrophobicContact CG1-CB 4.38Å; V204-L211 HydrophobicContact CG1-CD2 3.74Å; V204-L211 HydrophobicContact CG1-CG 3.64Å; V204-L212 HydrophobicContact CB-CD1 4.09Å; V204-L212 HydrophobicContact CG1-CB 4.38Å; V204-L212 HydrophobicContact CG1-CD1 4.33Å; V204-L212 HydrophobicContact CG2-CD1 4.33Å; V204-L215 HydrophobicContact CG2-CD1 4Å; V204-L215 HydrophobicContact CG2-CD2 3.93Å; V204-L215 HydrophobicContact CG2-CG 4.5Å; V204-I228 HydrophobicContact CG2-CG2 4.14Å; V204-V229 PolarHBondContact N-O 3.36Å; V204-G230 CarbonylContact O-C 3.44Å; V204-G230 WeakPolarHBondContact O-CA 3.16Å; V204-V231 PolarHBondContact O-N 3.3Å; V204-I331 HydrophobicContact CB-CD1 4.47Å; V204-I331 HydrophobicContact CG1-CD1 4.26Å; V204-I331 HydrophobicContact CG2-CD1 3.98Å
205P98.4Very high98.2Very high5 Ų514.7 Ų14.73%0.0329%0.086CC..EExtended strand (participates in β ladder)trans-59.7132169.2-25.135.9000111.9L261 T310P205-L261 HydrophobicContact CB-CD1 4.44Å; P205-L261 HydrophobicContact CB-CD2 4.07Å; P205-T310 VanDerWaalsContact CB-OG1 3.29Å; P205-T310 WeakPolarHBondContact CB-OG1 3.44Å; P205-T310 WeakPolarHBondContact CG-OG1 3.49Å
206V97.9Very high98.2Very high1 Ų112 Ų121%0.0067%0.073CC..  trans-119130.4-177-173.20000110.5V204 L212 G230 V231 E232 F239 L261V204-V206 WeakPolarHBondContact O-CG2 3.38Å; V204-V206 PolarHBondContact O-N 2.91Å; V206-L212 HydrophobicContact CG1-CD2 4.46Å; V206-L212 HydrophobicContact CG2-CB 4.25Å; V206-L212 HydrophobicContact CG2-CD1 4.45Å; V206-L212 HydrophobicContact CG2-CD2 3.97Å; V206-L212 HydrophobicContact CG2-CG 4.46Å; V206-G230 VanDerWaalsContact CG2-CA 3.46Å; V206-V231 PolarHBondContact N-O 3.08Å; V206-E232 HydrophobicContact CB-CG 3.68Å; V206-E232 HydrophobicContact CG1-CG 4.13Å; V206-F239 HydrophobicContact CG1-CB 3.45Å; V206-F239 VanDerWaalsContact CG1-CB 3.45Å; V206-F239 HydrophobicContact CG1-CD1 4.34Å; V206-F239 HydrophobicContact CG1-CD2 3.96Å; V206-F239 HydrophobicContact CG1-CG 3.66Å; V206-L261 WeakPolarHBondContact O-CB 3.4Å; V206-L261 WeakPolarHBondContact O-CD2 3.49Å
207G94.8Very high98.2Very high9 Ų912.2 Ų12.29%0.0937%0.074CC..SBendtrans-125.3-101.1163.500000107.7G209 L261G207-G209 PolarHBondContact O-N 3.12Å; G207-G209 VanDerWaalsContact O-N 3.11Å; G207-L261 WeakPolarHBondContact CA-O 3.3Å
208G94Very high98.2Very high4 Ų48.6 Ų8.64%0.0415%0.051CC..SBendtrans-71.5-1.1174.300000115.7G267 S270G208-G267 PolarHBondContact O-N 3.47Å; G208-S270 VanDerWaalsContact O-CB 3.3Å; G208-S270 WeakPolarHBondContact O-CB 3.47Å; G208-S270 PolarHBondContact O-OG 3.27Å
209G97.6Very high98.2Very high3 Ų34.9 Ų4.93%0.0313%0.031CC..SBendtrans90.1-11.7176.300000116.9G207 L211 L212 A213G207-G209 PolarHBondContact O-N 3.12Å; G207-G209 VanDerWaalsContact O-N 3.11Å; G209-L211 VanDerWaalsContact C-N 3.34Å; G209-L211 PolarHBondContact O-N 2.94Å; G209-L212 WeakPolarHBondContact O-CB 3.31Å; G209-L212 PolarHBondContact O-N 2.95Å; G209-L212 VanDerWaalsContact O-N 3.07Å; G209-A213 WeakPolarHBondContact O-CB 3.5Å; G209-A213 PolarHBondContact O-N 3.31Å
210G98Very high98.2Very high2 Ų26.3 Ų6.32%0.0214%0.037CC..Hα-helixtrans-58.8-36.2-173.900000116.3Y176 G214 S270Y176-G210 WeakPolarHBondContact O-CA 3.44Å; Y176-G210 PolarHBondContact O-N 3.4Å; G210-G214 PolarHBondContact O-N 3.06Å; G210-S270 PolarHBondContact N-OG 3.39Å
211L98.6Very high98.2Very high7 Ų76.8 Ų6.84%0.0375%0.045CC..Hα-helixtrans-68.3-47.5173.6176.758.1000111.2F80 Q185 I188 V204 G209 A213 L215 I331F80-L211 HydrophobicContact CD1-CD2 4.47Å; F80-L211 HydrophobicContact CD2-CB 4.4Å; F80-L211 HydrophobicContact CD2-CD1 3.94Å; F80-L211 HydrophobicContact CD2-CD2 4.33Å; F80-L211 HydrophobicContact CD2-CG 4.45Å; F80-L211 HydrophobicContact CE1-CD2 4.29Å; F80-L211 HydrophobicContact CE2-CB 3.67Å; F80-L211 HydrophobicContact CE2-CD1 4.07Å; F80-L211 HydrophobicContact CE2-CD2 4.15Å; F80-L211 HydrophobicContact CE2-CG 4.17Å; F80-L211 HydrophobicContact CG-CD2 4.47Å; F80-L211 HydrophobicContact CZ-CB 3.9Å; F80-L211 HydrophobicContact CZ-CD2 4.1Å; F80-L211 HydrophobicContact CZ-CG 4.48Å; Q185-L211 HydrophobicContact CB-CD1 4.08Å; I188-L211 HydrophobicContact CD1-CD1 3.52Å; V204-L211 HydrophobicContact CG1-CB 4.38Å; V204-L211 HydrophobicContact CG1-CD2 3.74Å; V204-L211 HydrophobicContact CG1-CG 3.64Å; G209-L211 VanDerWaalsContact C-N 3.34Å; G209-L211 PolarHBondContact O-N 2.94Å; L211-A213 PolarHBondContact O-N 2.79Å; L211-L215 WeakPolarHBondContact O-CB 3.3Å; L211-L215 PolarHBondContact O-N 2.97Å; L211-I331 HydrophobicContact CD2-CG2 4.34Å
212L98.8Very high98.2Very high0 Ų010.5 Ų10.50%06%0.064CC..Hα-helixtrans-58.6-48.8179.1-178.469.8000110.8V204 V206 G209 L215 C216 I228 F239 A274 V278 V281V204-L212 HydrophobicContact CB-CD1 4.09Å; V204-L212 HydrophobicContact CG1-CB 4.38Å; V204-L212 HydrophobicContact CG1-CD1 4.33Å; V204-L212 HydrophobicContact CG2-CD1 4.33Å; V206-L212 HydrophobicContact CG1-CD2 4.46Å; V206-L212 HydrophobicContact CG2-CB 4.25Å; V206-L212 HydrophobicContact CG2-CD1 4.45Å; V206-L212 HydrophobicContact CG2-CD2 3.97Å; V206-L212 HydrophobicContact CG2-CG 4.46Å; G209-L212 WeakPolarHBondContact O-CB 3.31Å; G209-L212 PolarHBondContact O-N 2.95Å; G209-L212 VanDerWaalsContact O-N 3.07Å; L212-L215 PolarHBondContact O-N 3.24Å; L212-C216 VanDerWaalsContact O-CB 3.27Å; L212-C216 WeakPolarHBondContact O-CB 3.3Å; L212-C216 PolarHBondContact O-N 3.25Å; L212-C216 PolarHBondContact O-SG 3.43Å; L212-I228 HydrophobicContact CD1-CG2 3.86Å; L212-F239 HydrophobicContact CD2-CD1 4.18Å; L212-F239 HydrophobicContact CD2-CE1 3.77Å; L212-F239 HydrophobicContact CD2-CZ 4.01Å; L212-A274 HydrophobicContact CD2-CB 4.31Å; L212-A274 HydrophobicContact CG-CB 4.3Å; L212-V278 HydrophobicContact CD1-CB 4.41Å; L212-V278 HydrophobicContact CD1-CG2 3.85Å; L212-V278 HydrophobicContact CD2-CB 4.3Å; L212-V278 HydrophobicContact CD2-CG2 4.1Å; L212-V278 HydrophobicContact CG-CG2 4.39Å; L212-V281 HydrophobicContact CD2-CG2 4.46Å
213A98.7Very high98.1Very high0 Ų014.3 Ų14.30%08%0.078CC..Hα-helixtrans-58.9-53.6-179.400000112.9L182 G209 L211 L215 C216 V217 S270 T273 A274L182-A213 HydrophobicContact CD2-CB 3.81Å; L182-A213 HydrophobicContact CG-CB 4.06Å; G209-A213 WeakPolarHBondContact O-CB 3.5Å; G209-A213 PolarHBondContact O-N 3.31Å; L211-A213 PolarHBondContact O-N 2.79Å; A213-L215 VanDerWaalsContact C-N 3.31Å; A213-L215 PolarHBondContact O-N 3.44Å; A213-C216 PolarHBondContact O-N 3.49Å; A213-V217 PolarHBondContact O-N 3.37Å; A213-V217 VanDerWaalsContact O-N 3.13Å; A213-S270 WeakPolarHBondContact CB-O 3.44Å; A213-T273 HydrophobicContact CB-CG2 3.9Å; A213-A274 HydrophobicContact CB-CB 4.08Å
214G98.8Very high98.1Very high0 Ų018.4 Ų18.40%011%0.105CC..Hα-helixtrans-58.2-44.9176.900000112.3L182 G186 G210 V217 A218L182-G214 WeakPolarHBondContact O-CA 3.25Å; G186-G214 WeakPolarHBondContact CA-O 3.48Å; G210-G214 PolarHBondContact O-N 3.06Å; G214-V217 PolarHBondContact O-N 3.41Å; G214-A218 PolarHBondContact O-N 2.72Å; G214-A218 VanDerWaalsContact O-N 3.11Å
215L98.8Very high98.1Very high0 Ų023.8 Ų23.80%013%0.13CC..Hα-helixtrans-67.2-42.3-179-173.4145.9000112I188 I192 I202 V204 L211 L212 A213 V217 A218 V219 I228 I331I188-L215 HydrophobicContact CG2-CD1 4.28Å; I192-L215 HydrophobicContact CD1-CD1 4.19Å; I202-L215 HydrophobicContact CD1-CD2 4.38Å; I202-L215 HydrophobicContact CG2-CD1 4.12Å; I202-L215 HydrophobicContact CG2-CD2 4.23Å; V204-L215 HydrophobicContact CG2-CD1 4Å; V204-L215 HydrophobicContact CG2-CD2 3.93Å; V204-L215 HydrophobicContact CG2-CG 4.5Å; L211-L215 WeakPolarHBondContact O-CB 3.3Å; L211-L215 PolarHBondContact O-N 2.97Å; L212-L215 PolarHBondContact O-N 3.24Å; A213-L215 VanDerWaalsContact C-N 3.31Å; A213-L215 PolarHBondContact O-N 3.44Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-V217 PolarHBondContact O-N 3.42Å; L215-A218 PolarHBondContact O-N 3.07Å; L215-V219 HydrophobicContact CD2-CB 4.39Å; L215-V219 HydrophobicContact CD2-CG2 3.74Å; L215-V219 HydrophobicContact CG-CG2 3.97Å; L215-V219 WeakPolarHBondContact O-CB 3.41Å; L215-V219 VanDerWaalsContact O-CG2 3.31Å; L215-V219 WeakPolarHBondContact O-CG2 3.48Å; L215-V219 PolarHBondContact O-N 2.87Å; L215-I228 HydrophobicContact CD2-CD1 4.02Å; L215-I228 HydrophobicContact CD2-CG1 4.33Å; L215-I228 HydrophobicContact CD2-CG2 3.99Å; L215-I331 HydrophobicContact CD1-CD1 3.34Å
216C98.9Very high98.1Very high0 Ų023.6 Ų23.60%013%0.129CC..Hα-helixtrans-55.1-48.8175.1-81.10000111.6L212 A213 A218 V219 K220 I228 L277L212-C216 VanDerWaalsContact O-CB 3.27Å; L212-C216 WeakPolarHBondContact O-CB 3.3Å; L212-C216 PolarHBondContact O-N 3.25Å; L212-C216 PolarHBondContact O-SG 3.43Å; A213-C216 PolarHBondContact O-N 3.49Å; C216-A218 PolarHBondContact O-N 3.09Å; C216-V219 PolarHBondContact O-N 3.2Å; C216-K220 VanDerWaalsContact O-CB 3.24Å; C216-K220 WeakPolarHBondContact O-CB 3.31Å; C216-K220 WeakPolarHBondContact O-CG 3.27Å; C216-K220 PolarHBondContact O-N 3.47Å; C216-I228 HydrophobicContact CB-CD1 4.31Å; C216-L277 HydrophobicContact CB-CB 3.67Å; C216-L277 HydrophobicContact CB-CD1 4.04Å
217V98.8Very high98.2Very high8 Ų826 Ų265%0.04814%0.14CC..Hα-helixtrans-61.4-45.2178.3169.40000111.4I33 V34 F35 V38 A213 G214 L215 S221 T273 L277I33-V217 HydrophobicContact CD1-CB 4.42Å; I33-V217 HydrophobicContact CD1-CG2 4.27Å; I33-V217 HydrophobicContact CG1-CG2 4.16Å; V34-V217 VanDerWaalsContact C-CG1 3.43Å; F35-V217 HydrophobicContact CB-CG1 4.21Å; V38-V217 HydrophobicContact CG2-CB 4.44Å; V38-V217 HydrophobicContact CG2-CG1 3.98Å; A213-V217 PolarHBondContact O-N 3.37Å; A213-V217 VanDerWaalsContact O-N 3.13Å; G214-V217 PolarHBondContact O-N 3.41Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-V217 PolarHBondContact O-N 3.42Å; V217-S221 WeakPolarHBondContact O-CB 3.21Å; V217-S221 PolarHBondContact O-N 2.68Å; V217-S221 PolarHBondContact O-OG 3.2Å; V217-T273 HydrophobicContact CG2-CG2 3.35Å; V217-L277 HydrophobicContact CG2-CD1 3.86Å
218A98.7Very high98.3Very high0 Ų025.5 Ų25.50%014%0.136CC..Hα-helixtrans-62-53.4178.700000112.1V38 G186 V190 G214 L215 C216 I222V38-A218 HydrophobicContact CG1-CB 4.02Å; G186-A218 VanDerWaalsContact O-CB 3.27Å; G186-A218 WeakPolarHBondContact O-CB 3.32Å; V190-A218 HydrophobicContact CG2-CB 4.14Å; G214-A218 PolarHBondContact O-N 2.72Å; G214-A218 VanDerWaalsContact O-N 3.11Å; L215-A218 PolarHBondContact O-N 3.07Å; C216-A218 PolarHBondContact O-N 3.09Å; A218-I222 WeakPolarHBondContact O-CD1 3.4Å; A218-I222 WeakPolarHBondContact O-CG1 3.37Å; A218-I222 PolarHBondContact O-N 3.42Å
219V98.9Very high98.6Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-72.7-48.5-170.5172.90000110.5L193 I202 L215 C216 S221 I222 R223 V226 I228L193-V219 HydrophobicContact CD1-CG1 4.49Å; L193-V219 HydrophobicContact CD1-CG2 4.39Å; L193-V219 HydrophobicContact CG-CG2 4.48Å; I202-V219 HydrophobicContact CD1-CB 4.49Å; I202-V219 HydrophobicContact CD1-CG1 4.04Å; I202-V219 HydrophobicContact CD1-CG2 3.67Å; L215-V219 HydrophobicContact CD2-CB 4.39Å; L215-V219 HydrophobicContact CD2-CG2 3.74Å; L215-V219 HydrophobicContact CG-CG2 3.97Å; L215-V219 WeakPolarHBondContact O-CB 3.41Å; L215-V219 VanDerWaalsContact O-CG2 3.31Å; L215-V219 WeakPolarHBondContact O-CG2 3.48Å; L215-V219 PolarHBondContact O-N 2.87Å; C216-V219 PolarHBondContact O-N 3.2Å; V219-S221 PolarHBondContact O-N 2.91Å; V219-I222 PolarHBondContact O-N 2.72Å; V219-R223 CarbonylContact O-C 3.56Å; V219-R223 WeakPolarHBondContact O-CA 3.44Å; V219-R223 PolarHBondContact O-N 3.03Å; V219-V226 HydrophobicContact CG1-CB 3.73Å; V219-V226 HydrophobicContact CG1-CG1 3.76Å; V219-V226 HydrophobicContact CG1-CG2 4.35Å; V219-I228 HydrophobicContact CB-CD1 3.91Å; V219-I228 HydrophobicContact CG1-CD1 3.94Å; V219-I228 HydrophobicContact CG1-CG1 4.27Å
220K98.7Very high98.6Very high33 Ų3325.2 Ų25.214%0.14313%0.133CC..Hα-helixtrans-67.5-24.8-177.8-65.4-60.6-164.5-179.30113.1C216 P224 V226 I228 L277 D279C216-K220 VanDerWaalsContact O-CB 3.24Å; C216-K220 WeakPolarHBondContact O-CB 3.31Å; C216-K220 WeakPolarHBondContact O-CG 3.27Å; C216-K220 PolarHBondContact O-N 3.47Å; K220-P224 WeakPolarHBondContact CD-O 3.44Å; K220-P224 PolarHBondContact NZ-O 3.06Å; K220-P224 WeakPolarHBondContact O-CA 3.38Å; K220-P224 WeakPolarHBondContact O-CB 3.13Å; K220-V226 PolarHBondContact NZ-O 3.31Å; K220-I228 HydrophobicContact CD-CD1 4.15Å; K220-I228 HydrophobicContact CG-CD1 3.94Å; K220-L277 HydrophobicContact CB-CD2 4.33Å; K220-L277 WeakPolarHBondContact CE-O 3.31Å; K220-L277 HydrophobicContact CG-CB 4.2Å; K220-L277 HydrophobicContact CG-CD2 4.44Å; K220-D279 WeakPolarHBondContact CE-OD2 3.34Å; K220-D279 IonicContact NZ-OD1 3.06Å; K220-D279 PolarHBondContact NZ-OD1 3.27Å; K220-D279 IonicContact NZ-OD2 2.67Å; K220-D279 PolarHBondContact NZ-OD2 2.89Å
221S98.5Very high98.7Very high70 Ų7025.1 Ų25.149%0.4913%0.132SC..Hα-helixtrans-75.4-30.5175.7-58.30000113.1V217 V219V217-S221 WeakPolarHBondContact O-CB 3.21Å; V217-S221 PolarHBondContact O-N 2.68Å; V217-S221 PolarHBondContact O-OG 3.2Å; V219-S221 PolarHBondContact O-N 2.91Å
222I98.1Very high98.6Very high78 Ų7824.8 Ų24.840%0.413%0.13SC..Hα-helixtrans-95.1-44.7-178.5-58.6166.8000111.1F35 V190 L193 A218 V219F35-I222 HydrophobicContact CE1-CG1 4.36Å; F35-I222 HydrophobicContact CE2-CD1 3.67Å; F35-I222 HydrophobicContact CE2-CG1 3.83Å; F35-I222 HydrophobicContact CZ-CD1 3.64Å; F35-I222 HydrophobicContact CZ-CG1 3.62Å; V190-I222 HydrophobicContact CG2-CD1 4.49Å; L193-I222 HydrophobicContact CD1-CB 3.59Å; L193-I222 HydrophobicContact CD1-CD1 3.91Å; L193-I222 HydrophobicContact CD1-CG1 4.33Å; L193-I222 HydrophobicContact CD1-CG2 3.75Å; A218-I222 WeakPolarHBondContact O-CD1 3.4Å; A218-I222 WeakPolarHBondContact O-CG1 3.37Å; A218-I222 PolarHBondContact O-N 3.42Å; V219-I222 PolarHBondContact O-N 2.72Å
223R98.3Very high98.4Very high81 Ų8124.8 Ų24.831%0.30613%0.13SC..  trans-137.680.2-177.5-68.8-160.562.91360.6110.7L193 P197 V219 E225 V226L193-R223 HydrophobicContact CD1-CB 4.33Å; L193-R223 HydrophobicContact CD1-CG 4.27Å; L193-R223 HydrophobicContact CD2-CB 4.44Å; L193-R223 HydrophobicContact CD2-CG 4.34Å; P197-R223 PolarHBondContact O-NH1 2.96Å; V219-R223 CarbonylContact O-C 3.56Å; V219-R223 WeakPolarHBondContact O-CA 3.44Å; V219-R223 PolarHBondContact O-N 3.03Å; R223-E225 VanDerWaalsContact C-OE2 3.32Å; R223-E225 WeakPolarHBondContact CB-OE1 3.4Å; R223-E225 IonicContact CZ-OE1 2.79Å; R223-E225 IonicContact NE-OE1 3.59Å; R223-E225 PolarHBondContact NE-OE1 3.05Å; R223-E225 IonicContact NH2-OE1 3.55Å; R223-E225 PolarHBondContact NH2-OE1 2.91Å; R223-E225 PolarHBondContact O-N 3.12Å; R223-E225 VanDerWaalsContact O-N 3.14Å; R223-V226 HydrophobicContact CB-CG2 3.63Å; R223-V226 PolarHBondContact O-N 3.16Å
224P98.3Very high98.3Very high86 Ų8628 Ų2856%0.55815%0.147SC*.THydrogen-bonded Turntrans-60.6-23.7-174.523.5-34000114.6K220K220-P224 WeakPolarHBondContact CD-O 3.44Å; K220-P224 PolarHBondContact NZ-O 3.06Å; K220-P224 WeakPolarHBondContact O-CA 3.38Å; K220-P224 WeakPolarHBondContact O-CB 3.13Å
225E98.3Very high98.1Very high113 Ų11332.5 Ų32.553%0.52816%0.164SC..THydrogen-bonded Turntrans-78.7-13.7-179.975.9-66.5162.600114.6R223 M227R223-E225 VanDerWaalsContact C-OE2 3.32Å; R223-E225 WeakPolarHBondContact CB-OE1 3.4Å; R223-E225 IonicContact CZ-OE1 2.79Å; R223-E225 IonicContact NE-OE1 3.59Å; R223-E225 PolarHBondContact NE-OE1 3.05Å; R223-E225 IonicContact NH2-OE1 3.55Å; R223-E225 PolarHBondContact NH2-OE1 2.91Å; R223-E225 PolarHBondContact O-N 3.12Å; R223-E225 VanDerWaalsContact O-N 3.14Å; E225-M227 PolarHBondContact O-N 2.84Å
226V98.8Very high97.8Very high1 Ų132.5 Ų32.51%0.00616%0.164CC..SBendtrans-67127176.9174.40000109.3L193 V199 I202 V219 K220 R223L193-V226 HydrophobicContact CD2-CG2 4.47Å; V199-V226 HydrophobicContact CG1-CG1 4.16Å; V199-V226 HydrophobicContact CG1-CG2 4.04Å; V199-V226 WeakPolarHBondContact O-CG2 3.27Å; I202-V226 HydrophobicContact CD1-CG1 3.98Å; I202-V226 HydrophobicContact CG1-CG1 3.95Å; V219-V226 HydrophobicContact CG1-CB 3.73Å; V219-V226 HydrophobicContact CG1-CG1 3.76Å; V219-V226 HydrophobicContact CG1-CG2 4.35Å; K220-V226 PolarHBondContact NZ-O 3.31Å; R223-V226 HydrophobicContact CB-CG2 3.63Å; R223-V226 PolarHBondContact O-N 3.16Å
227M98.8Very high97.6Very high50 Ų5033.4 Ų33.425%0.24617%0.17CC..EExtended strand (participates in β ladder)trans-74.9130.2176.8-177.6-177.9-74.800110.5D200 A201 I202 E225 V229 D279 E322 L323D200-M227 PolarHBondContact O-N 3.27Å; A201-M227 CarbonylContact C-O 3.52Å; A201-M227 WeakPolarHBondContact CA-O 3.45Å; A201-M227 HydrophobicContact CB-CB 3.99Å; I202-M227 PolarHBondContact N-O 2.92Å; E225-M227 PolarHBondContact O-N 2.84Å; M227-V229 HydrophobicContact CG-CG2 3.98Å; M227-V229 HydrophobicContact SD-CG2 4.03Å; M227-D279 WeakPolarHBondContact CA-OD2 3.08Å; M227-D279 HydrophobicContact CG-CB 4.04Å; M227-E322 HydrophobicContact CE-CG 4.45Å; M227-L323 HydrophobicContact SD-CD2 4.19Å
228I98.9Very high97.4Very high0 Ų033.1 Ų33.10%017%0.168CC..EExtended strand (participates in β ladder)trans-114.5120.3176.6-55.1174.7000108.8V204 L212 L215 C216 V219 K220 V278 D279 K280V204-I228 HydrophobicContact CG2-CG2 4.14Å; L212-I228 HydrophobicContact CD1-CG2 3.86Å; L215-I228 HydrophobicContact CD2-CD1 4.02Å; L215-I228 HydrophobicContact CD2-CG1 4.33Å; L215-I228 HydrophobicContact CD2-CG2 3.99Å; C216-I228 HydrophobicContact CB-CD1 4.31Å; V219-I228 HydrophobicContact CB-CD1 3.91Å; V219-I228 HydrophobicContact CG1-CD1 3.94Å; V219-I228 HydrophobicContact CG1-CG1 4.27Å; K220-I228 HydrophobicContact CD-CD1 4.15Å; K220-I228 HydrophobicContact CG-CD1 3.94Å; I228-V278 HydrophobicContact CG2-CG2 4.39Å; I228-D279 PolarHBondContact N-OD2 3.11Å; I228-D279 WeakPolarHBondContact O-CB 3.33Å; I228-D279 PolarHBondContact O-N 3.35Å; I228-K280 PolarHBondContact O-N 3.07Å
229V98.9Very high97.3Very high0 Ų033.1 Ų33.10%017%0.168CC..EExtended strand (participates in β ladder)trans-116.8113.7-180-175.10000109.9I202 I203 V204 M227 K280 I282 L314 L320I202-V229 PolarHBondContact O-N 2.94Å; I203-V229 CarbonylContact C-O 3.34Å; I203-V229 WeakPolarHBondContact CA-O 3.34Å; I203-V229 HydrophobicContact CG1-CB 4.41Å; V204-V229 PolarHBondContact N-O 3.36Å; M227-V229 HydrophobicContact CG-CG2 3.98Å; M227-V229 HydrophobicContact SD-CG2 4.03Å; V229-K280 CarbonylContact C-O 3.58Å; V229-K280 WeakPolarHBondContact CA-O 3.34Å; V229-K280 HydrophobicContact CG1-CB 4.2Å; V229-K280 HydrophobicContact CG2-CB 4.41Å; V229-I282 HydrophobicContact CG1-CD1 3.99Å; V229-I282 HydrophobicContact CG1-CG1 4.26Å; V229-L314 HydrophobicContact CB-CD2 4.47Å; V229-L314 HydrophobicContact CG1-CD2 3.6Å; V229-L320 HydrophobicContact CG1-CD1 4.13Å; V229-L320 HydrophobicContact CG2-CD1 4.21Å
230G98.7Very high97.3Very high0 Ų035.3 Ų35.30%018%0.179CC..EExtended strand (participates in β ladder)trans-74.4139.4166.600000111.1V204 V206 K280 V281 I282V204-G230 CarbonylContact O-C 3.44Å; V204-G230 WeakPolarHBondContact O-CA 3.16Å; V206-G230 VanDerWaalsContact CG2-CA 3.46Å; G230-K280 PolarHBondContact N-O 2.97Å; G230-V281 CarbonylContact O-C 3.56Å; G230-V281 WeakPolarHBondContact O-CA 3.4Å; G230-I282 PolarHBondContact O-N 3.22Å
231V98.6Very high97.2Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-123.4131.6172.959.90000111.9I203 V204 V206 I282 I284 L314I203-V231 HydrophobicContact CG2-CB 4.4Å; I203-V231 HydrophobicContact CG2-CG1 3.97Å; V204-V231 PolarHBondContact O-N 3.3Å; V206-V231 PolarHBondContact N-O 3.08Å; V231-I282 WeakPolarHBondContact CA-O 3.24Å; V231-I284 HydrophobicContact CG2-CD1 3.7Å; V231-I284 HydrophobicContact CG2-CG1 3.77Å; V231-I284 HydrophobicContact CG2-CG2 4.29Å; V231-L314 HydrophobicContact CB-CB 4.44Å; V231-L314 HydrophobicContact CB-CD2 4.21Å; V231-L314 HydrophobicContact CG2-CB 4.08Å; V231-L314 HydrophobicContact CG2-CD1 4.15Å; V231-L314 HydrophobicContact CG2-CG 4.49Å
232E97.2Very high97.2Very high1 Ų134 Ų341%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-123.5159.3173.8-64.8-172.2123.900110.7V206 P237 G238 F239 H240 V281 I282 T283 I284V206-E232 HydrophobicContact CB-CG 3.68Å; V206-E232 HydrophobicContact CG1-CG 4.13Å; E232-P237 WeakPolarHBondContact OE2-CA 3.14Å; E232-G238 PolarHBondContact OE1-N 2.94Å; E232-F239 WeakPolarHBondContact OE1-CB 3.47Å; E232-F239 PolarHBondContact OE1-N 2.76Å; E232-F239 PolarHBondContact OE2-N 2.99Å; E232-H240 VanDerWaalsContact OE2-CB 3.24Å; E232-H240 WeakPolarHBondContact OE2-CB 3.44Å; E232-H240 PolarHBondContact OE2-N 3.46Å; E232-V281 HydrophobicContact CG-CG1 4.47Å; E232-I282 PolarHBondContact N-O 3.16Å; E232-T283 HydrophobicContact CB-CG2 4.29Å; E232-T283 CarbonylContact O-C 3.37Å; E232-T283 WeakPolarHBondContact O-CA 3.33Å; E232-I284 WeakPolarHBondContact O-CG1 3.23Å; E232-I284 PolarHBondContact O-N 3.44Å
233S95.7Very high97.2Very high0 Ų033.2 Ų33.20%016%0.161CC..EExtended strand (participates in β ladder)trans-74.2140.6162.51720000109.2R235 C236 I284S233-R235 PolarHBondContact O-N 3.46Å; S233-R235 PolarHBondContact OG-N 3.21Å; S233-C236 CarbonylContact O-C 3.59Å; S233-C236 PolarHBondContact O-N 2.98Å; S233-I284 WeakPolarHBondContact CA-O 3.42Å
234N95.1Very high97.1Very high68 Ų6835.1 Ų35.136%0.36418%0.176SC..THydrogen-bonded Turntrans-57.8-17171.266.1-6.2000113.7I284 D285N234-I284 PolarHBondContact N-O 2.85Å; N234-I284 PolarHBondContact OD1-O 3.49Å; N234-D285 PolarHBondContact ND2-OD2 3.38Å; N234-D285 VanDerWaalsContact ND2-OD2 3.17Å
235R94.5Very high97.1Very high93 Ų9333.5 Ų33.535%0.35117%0.17SC..THydrogen-bonded Turntrans-81.7-15.8175.9-66.4-166.4175.6177.1-1.4114.5S233 C254 Q255 E286S233-R235 PolarHBondContact O-N 3.46Å; S233-R235 PolarHBondContact OG-N 3.21Å; R235-C254 HydrophobicContact CB-CB 4.02Å; R235-C254 HydrophobicContact CG-CB 4.27Å; R235-C254 PolarHBondContact O-N 3.42Å; R235-Q255 VanDerWaalsContact CD-O 3.24Å; R235-Q255 WeakPolarHBondContact CD-O 3.44Å; R235-Q255 PolarHBondContact NH1-O 2.93Å; R235-E286 HydrophobicContact CG-CG 4.25Å; R235-E286 IonicContact CZ-OE2 3.78Å; R235-E286 IonicContact NE-OE2 2.8Å; R235-E286 IonicContact NH1-OE2 3.71Å; R235-E286 PolarHBondContact NH1-OE2 3.48Å; R235-E286 IonicContact NH2-OE2 2.62Å
236C92.8Very high97Very high0 Ų030.6 Ų30.60%017%0.17CC..  trans-146.666.2178.755.10000110.7S233 G238 N253 A262S233-C236 CarbonylContact O-C 3.59Å; S233-C236 PolarHBondContact O-N 2.98Å; C236-G238 PolarHBondContact O-N 3.46Å; C236-N253 HydrophobicContact CB-CB 4.26Å; C236-A262 HydrophobicContact CB-CB 4.44Å
237P95.5Very high96.9Very high20 Ų2036.8 Ų36.813%0.1320%0.197CC..  trans-84.841-172.838.2-38.6000113E232 F239 H240 E241 T283E232-P237 WeakPolarHBondContact OE2-CA 3.14Å; P237-F239 VanDerWaalsContact C-N 3.33Å; P237-F239 PolarHBondContact O-N 2.93Å; P237-H240 HydrophobicContact CB-CB 4.24Å; P237-H240 PolarHBondContact O-N 3.22Å; P237-E241 HydrophobicContact CB-CG 4.41Å; P237-E241 HydrophobicContact CG-CG 4.07Å; P237-E241 WeakPolarHBondContact O-CG 3.33Å; P237-E241 PolarHBondContact O-N 3.45Å; P237-T283 HydrophobicContact CB-CG2 3.55Å
238G94.5Very high96.7Very high1 Ų136 Ų361%0.0120%0.196CC..Hα-helixtrans-59.8-39.1-16700000114.2E232 C236 A242 T251E232-G238 PolarHBondContact OE1-N 2.94Å; C236-G238 PolarHBondContact O-N 3.46Å; G238-A242 PolarHBondContact O-N 2.86Å; G238-T251 WeakPolarHBondContact CA-OG1 3.3Å
239F97.2Very high96.5Very high0 Ų038 Ų380%021%0.208CC..Hα-helixtrans-82-35.8179.2-154.7-78.8000112.1V206 L212 E232 P237 A242 M243 A266 F271 A274 V281V206-F239 HydrophobicContact CG1-CB 3.45Å; V206-F239 VanDerWaalsContact CG1-CB 3.45Å; V206-F239 HydrophobicContact CG1-CD1 4.34Å; V206-F239 HydrophobicContact CG1-CD2 3.96Å; V206-F239 HydrophobicContact CG1-CG 3.66Å; L212-F239 HydrophobicContact CD2-CD1 4.18Å; L212-F239 HydrophobicContact CD2-CE1 3.77Å; L212-F239 HydrophobicContact CD2-CZ 4.01Å; E232-F239 WeakPolarHBondContact OE1-CB 3.47Å; E232-F239 PolarHBondContact OE1-N 2.76Å; E232-F239 PolarHBondContact OE2-N 2.99Å; P237-F239 VanDerWaalsContact C-N 3.33Å; P237-F239 PolarHBondContact O-N 2.93Å; F239-A242 WeakPolarHBondContact O-CB 3.41Å; F239-A242 PolarHBondContact O-N 3.42Å; F239-M243 HydrophobicContact CD1-CG 3.99Å; F239-M243 HydrophobicContact CE1-CG 4.04Å; F239-M243 HydrophobicContact CE1-SD 3.98Å; F239-M243 WeakPolarHBondContact O-CG 3.43Å; F239-M243 PolarHBondContact O-N 2.83Å; F239-A266 HydrophobicContact CD2-CB 3.67Å; F239-A266 HydrophobicContact CE2-CB 4.2Å; F239-A266 HydrophobicContact CG-CB 4.33Å; F239-F271 HydrophobicContact CE1-CD2 4.22Å; F239-F271 HydrophobicContact CE2-CB 4.34Å; F239-F271 HydrophobicContact CE2-CD2 4.39Å; F239-F271 HydrophobicContact CZ-CB 4.39Å; F239-F271 AromaticContact CZ-CD2 3.98Å; F239-F271 HydrophobicContact CZ-CD2 3.98Å; F239-A274 HydrophobicContact CZ-CB 4.03Å; F239-V281 HydrophobicContact CD1-CG1 4.41Å; F239-V281 HydrophobicContact CD1-CG2 4.05Å; F239-V281 HydrophobicContact CE1-CG2 4.38Å
240H97.4Very high96.3Very high47 Ų4745.9 Ų45.922%0.21824%0.239CC..Hα-helixtrans-58.9-48.5173.5-178.586.3000111.2E232 P237 A242 M243 L244 V281 T283E232-H240 VanDerWaalsContact OE2-CB 3.24Å; E232-H240 WeakPolarHBondContact OE2-CB 3.44Å; E232-H240 PolarHBondContact OE2-N 3.46Å; P237-H240 HydrophobicContact CB-CB 4.24Å; P237-H240 PolarHBondContact O-N 3.22Å; H240-A242 VanDerWaalsContact C-N 3.29Å; H240-A242 PolarHBondContact O-N 3.3Å; H240-M243 WeakPolarHBondContact O-CB 3.34Å; H240-M243 PolarHBondContact O-N 2.99Å; H240-M243 VanDerWaalsContact O-N 3.12Å; H240-L244 PolarHBondContact O-N 2.91Å; H240-L244 VanDerWaalsContact O-N 3.08Å; H240-V281 HydrophobicContact CB-CG1 4.07Å; H240-V281 PolarHBondContact ND1-O 3.34Å; H240-T283 HydrophobicContact CB-CG2 3.84Å
241E97.3Very high95.8Very high74 Ų7446.5 Ų46.535%0.34624%0.243SC..Hα-helixtrans-63.6-35.6176.4-65.9-55.4135.900111.9P237 M243 L244 A245 V249 T251P237-E241 HydrophobicContact CB-CG 4.41Å; P237-E241 HydrophobicContact CG-CG 4.07Å; P237-E241 WeakPolarHBondContact O-CG 3.33Å; P237-E241 PolarHBondContact O-N 3.45Å; E241-M243 VanDerWaalsContact C-N 3.34Å; E241-M243 PolarHBondContact O-N 2.9Å; E241-L244 PolarHBondContact O-N 2.7Å; E241-A245 WeakPolarHBondContact O-CB 3.5Å; E241-A245 PolarHBondContact O-N 3.47Å; E241-V249 HydrophobicContact CB-CG2 4.01Å; E241-T251 HydrophobicContact CB-CG2 3.52Å; E241-T251 HydrophobicContact CG-CG2 3.58Å
242A97.6Very high95.2Very high0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-63.2-38.9173.300000112.5G238 F239 H240 A245 G246 K247 A266 F271G238-A242 PolarHBondContact O-N 2.86Å; F239-A242 WeakPolarHBondContact O-CB 3.41Å; F239-A242 PolarHBondContact O-N 3.42Å; H240-A242 VanDerWaalsContact C-N 3.29Å; H240-A242 PolarHBondContact O-N 3.3Å; A242-A245 PolarHBondContact O-N 3.04Å; A242-G246 PolarHBondContact O-N 3.25Å; A242-K247 VanDerWaalsContact CA-O 3.27Å; A242-K247 WeakPolarHBondContact CA-O 3.44Å; A242-K247 WeakPolarHBondContact CB-O 3.45Å; A242-K247 PolarHBondContact O-N 2.93Å; A242-K247 VanDerWaalsContact O-N 3.13Å; A242-A266 HydrophobicContact CB-CB 3.91Å; A242-F271 VanDerWaalsContact C-CE2 3.49Å; A242-F271 HydrophobicContact CB-CD2 3.8Å; A242-F271 HydrophobicContact CB-CE2 3.8Å; A242-F271 WeakPolarHBondContact O-CE2 3.44Å; A242-F271 WeakPolarHBondContact O-CZ 3.32Å
243M97.9Very high94.4Very high62 Ų6256.2 Ų56.231%0.30529%0.289SS..Hα-helixtrans-63.7-41.4175-69.9-68.9-66.900111.7F239 H240 E241 G246 F271 H275 V278 V281F239-M243 HydrophobicContact CD1-CG 3.99Å; F239-M243 HydrophobicContact CE1-CG 4.04Å; F239-M243 HydrophobicContact CE1-SD 3.98Å; F239-M243 WeakPolarHBondContact O-CG 3.43Å; F239-M243 PolarHBondContact O-N 2.83Å; H240-M243 WeakPolarHBondContact O-CB 3.34Å; H240-M243 PolarHBondContact O-N 2.99Å; H240-M243 VanDerWaalsContact O-N 3.12Å; E241-M243 VanDerWaalsContact C-N 3.34Å; E241-M243 PolarHBondContact O-N 2.9Å; M243-G246 PolarHBondContact O-N 3.17Å; M243-F271 HydrophobicContact CG-CE2 4.35Å; M243-F271 HydrophobicContact SD-CE2 3.88Å; M243-H275 HydrophobicContact SD-CB 3.71Å; M243-V278 HydrophobicContact CE-CG1 3.81Å; M243-V278 HydrophobicContact SD-CG1 4.14Å; M243-V281 HydrophobicContact CG-CB 4.46Å; M243-V281 HydrophobicContact CG-CG2 4.02Å
244L97.3Very high93.7Very high121 Ų12160.2 Ų60.263%0.63432%0.316SS*.Hα-helixtrans-66.1-40.3176.4-65178.5000112.1H240 E241 G246H240-L244 PolarHBondContact O-N 2.91Å; H240-L244 VanDerWaalsContact O-N 3.08Å; E241-L244 PolarHBondContact O-N 2.7Å; L244-G246 VanDerWaalsContact C-N 3.33Å
245A97.2Very high93.2Very high53 Ų5365.7 Ų65.744%0.43834%0.34SS..Hα-helixtrans-78.8-14.8179.700000113.9E241 A242 K247 V249E241-A245 WeakPolarHBondContact O-CB 3.5Å; E241-A245 PolarHBondContact O-N 3.47Å; A242-A245 PolarHBondContact O-N 3.04Å; A245-K247 PolarHBondContact O-N 3.33Å; A245-V249 HydrophobicContact CB-CG1 3.61Å; A245-V249 HydrophobicContact CB-CG2 4.2Å
246G96.7Very high92.8Very high51 Ų5162.2 Ų62.253%0.52633%0.33SS..THydrogen-bonded Turntrans71.112.4-174.100000114.4A242 M243 L244A242-G246 PolarHBondContact O-N 3.25Å; M243-G246 PolarHBondContact O-N 3.17Å; L244-G246 VanDerWaalsContact C-N 3.33Å
247K96.4Very high92.6Very high131 Ų13163.5 Ų63.557%0.5734%0.339SS*.SBendtrans-163158.717862.5-179.8-179.3177.80110.4A242 A245 V249A242-K247 VanDerWaalsContact CA-O 3.27Å; A242-K247 WeakPolarHBondContact CA-O 3.44Å; A242-K247 WeakPolarHBondContact CB-O 3.45Å; A242-K247 PolarHBondContact O-N 2.93Å; A242-K247 VanDerWaalsContact O-N 3.13Å; A245-K247 PolarHBondContact O-N 3.33Å; K247-V249 HydrophobicContact CG-CG1 4.3Å; K247-V249 PolarHBondContact O-N 2.81Å
248P96.4Very high92.2Very high33 Ų3362.6 Ų62.621%0.21433%0.333CS..  trans-54.8129170.5-24.834.7000112V265 A266 F271P248-V265 HydrophobicContact CB-CG1 4.04Å; P248-A266 HydrophobicContact CB-CB 4.44Å; P248-F271 HydrophobicContact CG-CB 3.89Å; P248-F271 HydrophobicContact CG-CD1 4.26Å; P248-F271 HydrophobicContact CG-CG 4.1Å
249V94.5Very high91.9Very high43 Ų4366.3 Ų66.326%0.26135%0.353SS..  trans-130.1156.5177.1-68.90000109.9E241 A245 K247E241-V249 HydrophobicContact CB-CG2 4.01Å; A245-V249 HydrophobicContact CB-CG1 3.61Å; A245-V249 HydrophobicContact CB-CG2 4.2Å; K247-V249 HydrophobicContact CG-CG1 4.3Å; K247-V249 PolarHBondContact O-N 2.81Å
250Y93Very high91.3Very high166 Ų16668.3 Ų68.365%0.65137%0.373SS*.BIsolated β-bridgetrans-74.5128.2172.3177.1-94.2000110.6E252 S264 V265Y250-E252 HydrophobicContact CE1-CB 4.41Å; Y250-S264 CarbonylContact C-O 3.54Å; Y250-S264 WeakPolarHBondContact CA-O 3.47Å; Y250-V265 HydrophobicContact CD2-CG2 4.12Å
251T90Very high90.9Very high12 Ų1266.5 Ų66.57%0.07437%0.365CS..  trans-115.9130170.960.30000110G238 E241 N253 S264G238-T251 WeakPolarHBondContact CA-OG1 3.3Å; E241-T251 HydrophobicContact CB-CG2 3.52Å; E241-T251 HydrophobicContact CG-CG2 3.58Å; T251-N253 PolarHBondContact O-N 3.39Å; T251-N253 PolarHBondContact O-OD1 3.47Å; T251-N253 PolarHBondContact OG1-OD1 3.37Å; T251-S264 PolarHBondContact N-O 2.8Å; T251-S264 WeakPolarHBondContact O-CB 3.1Å; T251-S264 PolarHBondContact O-OG 3.18Å; T251-S264 PolarHBondContact OG1-O 2.89Å
252E85.3Confident90.6Very high167 Ų16764.8 Ų64.878%0.7836%0.363SS*.PPolyproline II helixtrans-69.6121.7168.4-170.9170-16400108.8Y250Y250-E252 HydrophobicContact CE1-CB 4.41Å
253N81Confident90.1Very high39 Ų3966.5 Ų66.521%0.20937%0.372CS..PPolyproline II helixtrans-97.4132.9-179-72-10.1000109.9C236 T251 I263 S264C236-N253 HydrophobicContact CB-CB 4.26Å; T251-N253 PolarHBondContact O-N 3.39Å; T251-N253 PolarHBondContact O-OD1 3.47Å; T251-N253 PolarHBondContact OG1-OD1 3.37Å; N253-I263 PolarHBondContact ND2-N 2.69Å; N253-I263 PolarHBondContact ND2-O 2.81Å; N253-S264 PolarHBondContact ND2-N 2.81Å; N253-S264 PolarHBondContact ND2-OG 2.94Å
254C80.5Confident89.7Confident83 Ų8365.4 Ų65.456%0.56137%0.371SS*.PPolyproline II helixtrans-79.8161.4163.7-63.10000110.3R235 S256R235-C254 HydrophobicContact CB-CB 4.02Å; R235-C254 HydrophobicContact CG-CB 4.27Å; R235-C254 PolarHBondContact O-N 3.42Å; C254-S256 PolarHBondContact O-N 3.11Å; C254-S256 VanDerWaalsContact O-N 3.1Å
255Q83.8Confident89.4Confident183 Ų18362.5 Ų62.586%0.85536%0.358SS*.PPolyproline II helixtrans-59.2119.7171-75.6-172-14.600110.2R235R235-Q255 VanDerWaalsContact CD-O 3.24Å; R235-Q255 WeakPolarHBondContact CD-O 3.44Å; R235-Q255 PolarHBondContact NH1-O 2.93Å
256S87.4Confident89.3Confident20 Ų2060.1 Ų60.114%0.1434%0.338CS..  trans-117.6137.9-179.41790000109.7C254 A258 E286C254-S256 PolarHBondContact O-N 3.11Å; C254-S256 VanDerWaalsContact O-N 3.1Å; S256-A258 PolarHBondContact OG-N 3.24Å; S256-A258 VanDerWaalsContact OG-N 3.13Å; S256-E286 WeakPolarHBondContact CA-OE1 3.19Å; S256-E286 PolarHBondContact OG-OE1 2.92Å
257S88.4Confident89.3Confident28 Ų2857.8 Ų57.820%0.19631%0.314CS..SBendtrans-66.9-26.1168.265.30000112.3D259 E286 Y290 C306S257-D259 PolarHBondContact O-N 2.78Å; S257-E286 WeakPolarHBondContact CB-OE1 3.15Å; S257-E286 PolarHBondContact N-OE1 2.98Å; S257-E286 PolarHBondContact OG-OE1 3.24Å; S257-Y290 VanDerWaalsContact OG-CE1 3.25Å; S257-Y290 WeakPolarHBondContact OG-CE1 3.43Å; S257-C306 VanDerWaalsContact O-CB 3.24Å; S257-C306 WeakPolarHBondContact O-CB 3.36Å
258A87.3Confident89.3Confident0 Ų052.5 Ų52.50%029%0.293CS..  trans-80.860.1171.100000110.3S256 G260 L261 I289 C306 S307 T310S256-A258 PolarHBondContact OG-N 3.24Å; S256-A258 VanDerWaalsContact OG-N 3.13Å; A258-G260 PolarHBondContact O-N 3.13Å; A258-G260 VanDerWaalsContact O-N 3.14Å; A258-L261 HydrophobicContact CB-CB 4.39Å; A258-L261 HydrophobicContact CB-CD1 4.09Å; A258-L261 HydrophobicContact CB-CG 4.21Å; A258-L261 WeakPolarHBondContact O-CA 3.43Å; A258-L261 WeakPolarHBondContact O-CB 3.24Å; A258-L261 PolarHBondContact O-N 2.95Å; A258-I289 HydrophobicContact CB-CD1 4.21Å; A258-C306 HydrophobicContact CB-CB 4.3Å; A258-S307 WeakPolarHBondContact CA-OG 3.43Å; A258-S307 PolarHBondContact O-OG 3.23Å; A258-T310 HydrophobicContact CB-CG2 4.47Å
259D86.4Confident89.4Confident80 Ų8051 Ų5143%0.42828%0.283SS..G310 helixtrans-55.9-33.3-172.374.1-38.3000113.9K136 S257 L261 A262K136-D259 IonicContact NZ-OD1 2.77Å; K136-D259 IonicContact NZ-OD2 2.97Å; K136-D259 PolarHBondContact NZ-OD2 2.86Å; S257-D259 PolarHBondContact O-N 2.78Å; D259-L261 PolarHBondContact O-N 2.87Å; D259-A262 PolarHBondContact O-N 2.7Å
260G85.8Confident89.6Confident41 Ų4148.9 Ų48.942%0.42327%0.27SS..G310 helixtrans-66.6-13.8174.700000114.9A258 S307A258-G260 PolarHBondContact O-N 3.13Å; A258-G260 VanDerWaalsContact O-N 3.14Å; G260-S307 WeakPolarHBondContact CA-OG 3.48Å; G260-S307 PolarHBondContact N-OG 3.19Å
261L89.4Confident89.8Confident9 Ų941 Ų415%0.04724%0.239CC..G310 helixtrans-105.1-10.6179.3-52-173.1000112.9P205 V206 G207 A258 D259 I263 T310P205-L261 HydrophobicContact CB-CD1 4.44Å; P205-L261 HydrophobicContact CB-CD2 4.07Å; V206-L261 WeakPolarHBondContact O-CB 3.4Å; V206-L261 WeakPolarHBondContact O-CD2 3.49Å; G207-L261 WeakPolarHBondContact CA-O 3.3Å; A258-L261 HydrophobicContact CB-CB 4.39Å; A258-L261 HydrophobicContact CB-CD1 4.09Å; A258-L261 HydrophobicContact CB-CG 4.21Å; A258-L261 WeakPolarHBondContact O-CA 3.43Å; A258-L261 WeakPolarHBondContact O-CB 3.24Å; A258-L261 PolarHBondContact O-N 2.95Å; D259-L261 PolarHBondContact O-N 2.87Å; L261-I263 PolarHBondContact O-N 2.7Å; L261-T310 HydrophobicContact CD1-CG2 3.61Å
262A89.4Confident90.2Very high39 Ų3943.6 Ų43.632%0.32225%0.25SS..  trans-73.769.9-174.400000112.9C236 D259C236-A262 HydrophobicContact CB-CB 4.44Å; D259-A262 PolarHBondContact O-N 2.7Å
263I88.8Confident90.8Very high35 Ų3535.9 Ų35.918%0.17922%0.215CC..  trans-111.5126-179.4-58.3-59000109.4Y176 N253 L261 V265Y176-I263 HydrophobicContact CD1-CD1 4.37Å; Y176-I263 HydrophobicContact CE1-CD1 3.96Å; Y176-I263 HydrophobicContact CE1-CG1 4.48Å; Y176-I263 HydrophobicContact CE1-CG2 4.26Å; Y176-I263 HydrophobicContact CE2-CG2 4.48Å; N253-I263 PolarHBondContact ND2-N 2.69Å; N253-I263 PolarHBondContact ND2-O 2.81Å; L261-I263 PolarHBondContact O-N 2.7Å; I263-V265 WeakPolarHBondContact CG2-O 3.42Å
264S88.1Confident91.7Very high40 Ų4034 Ų3428%0.2821%0.205SC..SBendtrans-82.9-14.7-174.3-60.30000114.5Y250 T251 N253Y250-S264 CarbonylContact C-O 3.54Å; Y250-S264 WeakPolarHBondContact CA-O 3.47Å; T251-S264 PolarHBondContact N-O 2.8Å; T251-S264 WeakPolarHBondContact O-CB 3.1Å; T251-S264 PolarHBondContact O-OG 3.18Å; T251-S264 PolarHBondContact OG1-O 2.89Å; N253-S264 PolarHBondContact ND2-N 2.81Å; N253-S264 PolarHBondContact ND2-OG 2.94Å
265V91.9Very high92.5Very high60 Ų6032.2 Ų32.236%0.36419%0.188SC..BIsolated β-bridgetrans-142121.5178-171.80000107.1P248 Y250 I263P248-V265 HydrophobicContact CB-CG1 4.04Å; Y250-V265 HydrophobicContact CD2-CG2 4.12Å; I263-V265 WeakPolarHBondContact CG2-O 3.42Å
266A95.5Very high93.1Very high3 Ų331.9 Ų31.93%0.02518%0.184CC..  trans-53.4145.6172.100000110.6F239 A242 P248 V268F239-A266 HydrophobicContact CD2-CB 3.67Å; F239-A266 HydrophobicContact CE2-CB 4.2Å; F239-A266 HydrophobicContact CG-CB 4.33Å; A242-A266 HydrophobicContact CB-CB 3.91Å; P248-A266 HydrophobicContact CB-CB 4.44Å; A266-V268 PolarHBondContact O-N 3.28Å
267G95.8Very high93.6Very high2 Ų233.7 Ų33.72%0.02119%0.192CC..  trans-61.2138.7173.400000110.8D177 G208 S270 F271D177-G267 VanDerWaalsContact CG-C 3.5Å; D177-G267 WeakPolarHBondContact OD1-CA 3.43Å; D177-G267 WeakPolarHBondContact OD2-CA 3.21Å; G208-G267 PolarHBondContact O-N 3.47Å; G267-S270 PolarHBondContact O-N 2.93Å; G267-F271 WeakPolarHBondContact O-CB 3.15Å; G267-F271 PolarHBondContact O-N 3.1Å
268V96.7Very high94.1Very high20 Ų2032.9 Ų32.912%0.12119%0.186CC..Hα-helixtrans-65.3-53.2180-176.30000109.9P27 P30 D177 A266 S270 F271 E272P27-V268 HydrophobicContact CB-CG2 4.3Å; P27-V268 HydrophobicContact CG-CG2 4.08Å; P30-V268 HydrophobicContact CB-CG1 3.94Å; D177-V268 VanDerWaalsContact CG-N 3.28Å; D177-V268 PolarHBondContact OD1-N 3.09Å; D177-V268 VanDerWaalsContact OD1-N 3.15Å; D177-V268 PolarHBondContact OD2-N 2.89Å; A266-V268 PolarHBondContact O-N 3.28Å; V268-S270 VanDerWaalsContact C-N 3.25Å; V268-S270 PolarHBondContact O-N 3.3Å; V268-F271 PolarHBondContact O-N 2.92Å; V268-E272 WeakPolarHBondContact O-CB 3.24Å; V268-E272 WeakPolarHBondContact O-CG 3.22Å; V268-E272 PolarHBondContact O-N 3.22Å
269N98.1Very high94.7Very high0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-64.3-38.3178.3-61.5-24.9000110.8N24 P30 K31 D177 L182 T273N24-N269 PolarHBondContact O-ND2 2.92Å; P30-N269 WeakPolarHBondContact CA-OD1 3.22Å; K31-N269 PolarHBondContact N-OD1 3.05Å; D177-N269 PolarHBondContact O-ND2 2.98Å; D177-N269 WeakPolarHBondContact OD1-CB 3.39Å; D177-N269 PolarHBondContact OD1-N 3.3Å; D177-N269 PolarHBondContact OD2-N 3.07Å; L182-N269 HydrophobicContact CD2-CB 4.22Å; N269-T273 WeakPolarHBondContact O-CB 3.24Å; N269-T273 PolarHBondContact O-N 3.3Å; N269-T273 PolarHBondContact O-OG1 3.47Å
270S98.2Very high95.2Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-61.3-47.5178-55.30000111.7Y176 D177 G208 G210 A213 G267 V268 A274Y176-S270 PolarHBondContact O-OG 3.18Å; D177-S270 PolarHBondContact OD1-N 2.84Å; D177-S270 PolarHBondContact OD1-OG 3.23Å; G208-S270 VanDerWaalsContact O-CB 3.3Å; G208-S270 WeakPolarHBondContact O-CB 3.47Å; G208-S270 PolarHBondContact O-OG 3.27Å; G210-S270 PolarHBondContact N-OG 3.39Å; A213-S270 WeakPolarHBondContact CB-O 3.44Å; G267-S270 PolarHBondContact O-N 2.93Å; V268-S270 VanDerWaalsContact C-N 3.25Å; V268-S270 PolarHBondContact O-N 3.3Å; S270-A274 VanDerWaalsContact O-CB 3.22Å; S270-A274 WeakPolarHBondContact O-CB 3.13Å; S270-A274 PolarHBondContact O-N 3.42Å
271F98.4Very high95.8Very high1 Ų135.5 Ų35.50%0.00419%0.187CC..Hα-helixtrans-65.6-51.5178.3-178.3-94.9000111.3F239 A242 M243 P248 G267 V268 T273 A274 H275F239-F271 HydrophobicContact CE1-CD2 4.22Å; F239-F271 HydrophobicContact CE2-CB 4.34Å; F239-F271 HydrophobicContact CE2-CD2 4.39Å; F239-F271 HydrophobicContact CZ-CB 4.39Å; F239-F271 AromaticContact CZ-CD2 3.98Å; F239-F271 HydrophobicContact CZ-CD2 3.98Å; A242-F271 VanDerWaalsContact C-CE2 3.49Å; A242-F271 HydrophobicContact CB-CD2 3.8Å; A242-F271 HydrophobicContact CB-CE2 3.8Å; A242-F271 WeakPolarHBondContact O-CE2 3.44Å; A242-F271 WeakPolarHBondContact O-CZ 3.32Å; M243-F271 HydrophobicContact CG-CE2 4.35Å; M243-F271 HydrophobicContact SD-CE2 3.88Å; P248-F271 HydrophobicContact CG-CB 3.89Å; P248-F271 HydrophobicContact CG-CD1 4.26Å; P248-F271 HydrophobicContact CG-CG 4.1Å; G267-F271 WeakPolarHBondContact O-CB 3.15Å; G267-F271 PolarHBondContact O-N 3.1Å; V268-F271 PolarHBondContact O-N 2.92Å; F271-T273 PolarHBondContact O-N 3.31Å; F271-A274 PolarHBondContact O-N 3.25Å; F271-A274 VanDerWaalsContact O-N 3.08Å; F271-H275 HydrophobicContact CD1-CB 4.34Å; F271-H275 HydrophobicContact CD2-CB 4.18Å; F271-H275 HydrophobicContact CE1-CB 3.97Å; F271-H275 AromaticContact CE1-CG 3.9Å; F271-H275 HydrophobicContact CE2-CB 3.79Å; F271-H275 HydrophobicContact CG-CB 4.44Å; F271-H275 HydrophobicContact CZ-CB 3.68Å; F271-H275 WeakPolarHBondContact O-CB 3.39Å; F271-H275 PolarHBondContact O-N 2.87Å; F271-H275 PolarHBondContact O-ND1 3.24Å
272E98.1Very high96.3Very high65 Ų6536.8 Ų36.830%0.30419%0.193SC..Hα-helixtrans-60.6-35.5-179.3-74.1-59.5141.700112.4P30 V32 V268 H275P30-E272 HydrophobicContact CB-CB 3.93Å; P30-E272 HydrophobicContact CB-CG 3.59Å; P30-E272 HydrophobicContact CG-CB 4.47Å; P30-E272 HydrophobicContact CG-CG 3.84Å; V32-E272 HydrophobicContact CG2-CB 3.99Å; V268-E272 WeakPolarHBondContact O-CB 3.24Å; V268-E272 WeakPolarHBondContact O-CG 3.22Å; V268-E272 PolarHBondContact O-N 3.22Å; E272-H275 PolarHBondContact O-ND1 2.98Å; E272-H275 IonicContact OE2-CE1 3.72Å; E272-H275 PolarHBondContact OE2-CE1 2.93Å
273T98.5Very high96.6Very high6 Ų637.2 Ų37.24%0.03719%0.192CC..Hα-helixtrans-69.8-42.8173.9-60.40000112.5I33 A213 V217 N269 F271 L277I33-T273 HydrophobicContact CD1-CG2 4.27Å; I33-T273 HydrophobicContact CG1-CG2 3.56Å; I33-T273 PolarHBondContact N-OG1 2.67Å; A213-T273 HydrophobicContact CB-CG2 3.9Å; V217-T273 HydrophobicContact CG2-CG2 3.35Å; N269-T273 WeakPolarHBondContact O-CB 3.24Å; N269-T273 PolarHBondContact O-N 3.3Å; N269-T273 PolarHBondContact O-OG1 3.47Å; F271-T273 PolarHBondContact O-N 3.31Å; T273-L277 WeakPolarHBondContact O-CD1 3.47Å
274A98.4Very high97Very high0 Ų035.9 Ų35.90%019%0.185CC..Hα-helixtrans-95.5-30.2-166.800000115.1L212 A213 F239 S270 F271 K276 L277 V278L212-A274 HydrophobicContact CD2-CB 4.31Å; L212-A274 HydrophobicContact CG-CB 4.3Å; A213-A274 HydrophobicContact CB-CB 4.08Å; F239-A274 HydrophobicContact CZ-CB 4.03Å; S270-A274 VanDerWaalsContact O-CB 3.22Å; S270-A274 WeakPolarHBondContact O-CB 3.13Å; S270-A274 PolarHBondContact O-N 3.42Å; F271-A274 PolarHBondContact O-N 3.25Å; F271-A274 VanDerWaalsContact O-N 3.08Å; A274-K276 PolarHBondContact O-N 3.24Å; A274-K276 VanDerWaalsContact O-N 3.09Å; A274-L277 CarbonylContact O-C 3.32Å; A274-L277 WeakPolarHBondContact O-CA 3.46Å; A274-L277 PolarHBondContact O-N 3.23Å; A274-V278 WeakPolarHBondContact O-CG1 3.29Å; A274-V278 PolarHBondContact O-N 2.75Å
275H97.5Very high97.4Very high45 Ų4536.8 Ų36.821%0.20819%0.187CC..THydrogen-bonded Turntrans-62.4-26.3-162.474.1-80.1000114.6M243 F271 E272M243-H275 HydrophobicContact SD-CB 3.71Å; F271-H275 HydrophobicContact CD1-CB 4.34Å; F271-H275 HydrophobicContact CD2-CB 4.18Å; F271-H275 HydrophobicContact CE1-CB 3.97Å; F271-H275 AromaticContact CE1-CG 3.9Å; F271-H275 HydrophobicContact CE2-CB 3.79Å; F271-H275 HydrophobicContact CG-CB 4.44Å; F271-H275 HydrophobicContact CZ-CB 3.68Å; F271-H275 WeakPolarHBondContact O-CB 3.39Å; F271-H275 PolarHBondContact O-N 2.87Å; F271-H275 PolarHBondContact O-ND1 3.24Å; E272-H275 PolarHBondContact O-ND1 2.98Å; E272-H275 IonicContact OE2-CE1 3.72Å; E272-H275 PolarHBondContact OE2-CE1 2.93Å
276K97.4Very high97.5Very high176 Ų17634 Ų3477%0.76517%0.17SC*.THydrogen-bonded Turntrans-90.9-12174.6-59.8-178-177.6166.10113.7A274A274-K276 PolarHBondContact O-N 3.24Å; A274-K276 VanDerWaalsContact O-N 3.09Å
277L98.5Very high97.5Very high57 Ų5735.8 Ų35.830%0.29818%0.18SC..THydrogen-bonded Turntrans-106.1-29.7-173.3-61.1-177.1000112.7C216 V217 K220 T273 A274C216-L277 HydrophobicContact CB-CB 3.67Å; C216-L277 HydrophobicContact CB-CD1 4.04Å; V217-L277 HydrophobicContact CG2-CD1 3.86Å; K220-L277 HydrophobicContact CB-CD2 4.33Å; K220-L277 WeakPolarHBondContact CE-O 3.31Å; K220-L277 HydrophobicContact CG-CB 4.2Å; K220-L277 HydrophobicContact CG-CD2 4.44Å; T273-L277 WeakPolarHBondContact O-CD1 3.47Å; A274-L277 CarbonylContact O-C 3.32Å; A274-L277 WeakPolarHBondContact O-CA 3.46Å; A274-L277 PolarHBondContact O-N 3.23Å
278V98.6Very high97.5Very high12 Ų1239 Ų397%0.07319%0.192CC..  trans-75.5135.4175.966.40000110.2L212 I228 M243 A274 K280 V281L212-V278 HydrophobicContact CD1-CB 4.41Å; L212-V278 HydrophobicContact CD1-CG2 3.85Å; L212-V278 HydrophobicContact CD2-CB 4.3Å; L212-V278 HydrophobicContact CD2-CG2 4.1Å; L212-V278 HydrophobicContact CG-CG2 4.39Å; I228-V278 HydrophobicContact CG2-CG2 4.39Å; M243-V278 HydrophobicContact CE-CG1 3.81Å; M243-V278 HydrophobicContact SD-CG1 4.14Å; A274-V278 WeakPolarHBondContact O-CG1 3.29Å; A274-V278 PolarHBondContact O-N 2.75Å; V278-K280 VanDerWaalsContact CG2-O 3.31Å; V278-K280 WeakPolarHBondContact CG2-O 3.24Å; V278-V281 HydrophobicContact CG1-CG2 4.08Å; V278-V281 HydrophobicContact CG2-CG2 3.99Å
279D98.6Very high97.5Very high80 Ų8038.1 Ų38.143%0.42819%0.187SC..SBendtrans-82.3-40-178.8-58.4-89.1000111.7K220 M227 I228K220-D279 WeakPolarHBondContact CE-OD2 3.34Å; K220-D279 IonicContact NZ-OD1 3.06Å; K220-D279 PolarHBondContact NZ-OD1 3.27Å; K220-D279 IonicContact NZ-OD2 2.67Å; K220-D279 PolarHBondContact NZ-OD2 2.89Å; M227-D279 WeakPolarHBondContact CA-OD2 3.08Å; M227-D279 HydrophobicContact CG-CB 4.04Å; I228-D279 PolarHBondContact N-OD2 3.11Å; I228-D279 WeakPolarHBondContact O-CB 3.33Å; I228-D279 PolarHBondContact O-N 3.35Å
280K98.2Very high97.4Very high80 Ų8038.8 Ų38.835%0.34819%0.189SC..EExtended strand (participates in β ladder)trans-146.5147.7178.8-61.7-176.6179.6-176.30111.7I228 V229 G230 V278 I282 L320 E322I228-K280 PolarHBondContact O-N 3.07Å; V229-K280 CarbonylContact C-O 3.58Å; V229-K280 WeakPolarHBondContact CA-O 3.34Å; V229-K280 HydrophobicContact CG1-CB 4.2Å; V229-K280 HydrophobicContact CG2-CB 4.41Å; G230-K280 PolarHBondContact N-O 2.97Å; V278-K280 VanDerWaalsContact CG2-O 3.31Å; V278-K280 WeakPolarHBondContact CG2-O 3.24Å; K280-I282 HydrophobicContact CB-CD1 4.46Å; K280-I282 HydrophobicContact CB-CG1 4.3Å; K280-I282 HydrophobicContact CD-CD1 4.36Å; K280-L320 HydrophobicContact CD-CD2 4.13Å; K280-E322 IonicContact NZ-OE1 2.66Å; K280-E322 PolarHBondContact NZ-OE1 2.89Å
281V98.3Very high97.3Very high16 Ų1641.9 Ų41.910%0.09720%0.201CC..EExtended strand (participates in β ladder)trans-126.1114165.7-176.80000107.8L212 G230 E232 F239 H240 M243 V278L212-V281 HydrophobicContact CD2-CG2 4.46Å; G230-V281 CarbonylContact O-C 3.56Å; G230-V281 WeakPolarHBondContact O-CA 3.4Å; E232-V281 HydrophobicContact CG-CG1 4.47Å; F239-V281 HydrophobicContact CD1-CG1 4.41Å; F239-V281 HydrophobicContact CD1-CG2 4.05Å; F239-V281 HydrophobicContact CE1-CG2 4.38Å; H240-V281 HydrophobicContact CB-CG1 4.07Å; H240-V281 PolarHBondContact ND1-O 3.34Å; M243-V281 HydrophobicContact CG-CB 4.46Å; M243-V281 HydrophobicContact CG-CG2 4.02Å; V278-V281 HydrophobicContact CG1-CG2 4.08Å; V278-V281 HydrophobicContact CG2-CG2 3.99Å
282I98.3Very high97.3Very high35 Ų3541.9 Ų41.918%0.17920%0.201CC..EExtended strand (participates in β ladder)trans-115.3138.3-171.5-59.3177000109.9V229 G230 V231 E232 K280 I284 L314 V319 L320V229-I282 HydrophobicContact CG1-CD1 3.99Å; V229-I282 HydrophobicContact CG1-CG1 4.26Å; G230-I282 PolarHBondContact O-N 3.22Å; V231-I282 WeakPolarHBondContact CA-O 3.24Å; E232-I282 PolarHBondContact N-O 3.16Å; K280-I282 HydrophobicContact CB-CD1 4.46Å; K280-I282 HydrophobicContact CB-CG1 4.3Å; K280-I282 HydrophobicContact CD-CD1 4.36Å; I282-I284 HydrophobicContact CG2-CG2 4.49Å; I282-L314 HydrophobicContact CB-CD1 3.94Å; I282-L314 HydrophobicContact CD1-CD1 4.37Å; I282-L314 HydrophobicContact CG2-CD1 3.65Å; I282-V319 HydrophobicContact CD1-CG2 4.44Å; I282-V319 HydrophobicContact CG2-CG2 4.16Å; I282-L320 HydrophobicContact CD1-CD1 4.28Å; I282-L320 HydrophobicContact CD1-CD2 3.64Å; I282-L320 HydrophobicContact CD1-CG 4.05Å
283T97.2Very high97.2Very high48 Ų4838.8 Ų38.829%0.29419%0.187SC..EExtended strand (participates in β ladder)trans-97.5141.4172.758.10000110.3E232 P237 H240E232-T283 HydrophobicContact CB-CG2 4.29Å; E232-T283 CarbonylContact O-C 3.37Å; E232-T283 WeakPolarHBondContact O-CA 3.33Å; P237-T283 HydrophobicContact CB-CG2 3.55Å; H240-T283 HydrophobicContact CB-CG2 3.84Å
284I97Very high97.1Very high7 Ų738.8 Ų38.84%0.03619%0.186CC..EExtended strand (participates in β ladder)trans-128.5153178.656.7167.9000111.9V231 E232 S233 N234 I282 I289 A313 L314 A317V231-I284 HydrophobicContact CG2-CD1 3.7Å; V231-I284 HydrophobicContact CG2-CG1 3.77Å; V231-I284 HydrophobicContact CG2-CG2 4.29Å; E232-I284 WeakPolarHBondContact O-CG1 3.23Å; E232-I284 PolarHBondContact O-N 3.44Å; S233-I284 WeakPolarHBondContact CA-O 3.42Å; N234-I284 PolarHBondContact N-O 2.85Å; N234-I284 PolarHBondContact OD1-O 3.49Å; I282-I284 HydrophobicContact CG2-CG2 4.49Å; I284-I289 HydrophobicContact CD1-CG1 3.97Å; I284-A313 HydrophobicContact CD1-CB 3.42Å; I284-A313 VanDerWaalsContact CD1-CB 3.42Å; I284-L314 HydrophobicContact CG2-CD1 3.46Å; I284-L314 VanDerWaalsContact CG2-CD1 3.46Å; I284-A317 HydrophobicContact CG2-CB 4.25Å
285D95.8Very high96.9Very high60 Ų6040.3 Ų40.332%0.32119%0.192SC..  trans-70.2143.4173.1-169.9-95.4000111.8N234 T287 Y288N234-D285 PolarHBondContact ND2-OD2 3.38Å; N234-D285 VanDerWaalsContact ND2-OD2 3.17Å; D285-T287 PolarHBondContact O-N 3.5Å; D285-T287 VanDerWaalsContact O-N 3.16Å; D285-T287 WeakPolarHBondContact OD1-CB 3.41Å; D285-T287 WeakPolarHBondContact OD1-CG2 3.34Å; D285-T287 PolarHBondContact OD1-N 2.61Å; D285-T287 PolarHBondContact OD1-OG1 3.12Å; D285-Y288 HydrophobicContact CB-CD2 4.19Å; D285-Y288 HydrophobicContact CB-CE2 4.47Å; D285-Y288 PolarHBondContact O-N 3.1Å
286E93.9Very high96.9Very high2 Ų238.2 Ų38.21%0.00918%0.182CC..Hα-helixtrans-61.8-23.2-179.4-66.8-149114.600113.8R235 S256 S257 Y288 I289 Y290R235-E286 HydrophobicContact CG-CG 4.25Å; R235-E286 IonicContact CZ-OE2 3.78Å; R235-E286 IonicContact NE-OE2 2.8Å; R235-E286 IonicContact NH1-OE2 3.71Å; R235-E286 PolarHBondContact NH1-OE2 3.48Å; R235-E286 IonicContact NH2-OE2 2.62Å; S256-E286 WeakPolarHBondContact CA-OE1 3.19Å; S256-E286 PolarHBondContact OG-OE1 2.92Å; S257-E286 WeakPolarHBondContact CB-OE1 3.15Å; S257-E286 PolarHBondContact N-OE1 2.98Å; S257-E286 PolarHBondContact OG-OE1 3.24Å; E286-Y288 PolarHBondContact O-N 3.27Å; E286-I289 HydrophobicContact CG-CD1 4.38Å; E286-I289 WeakPolarHBondContact O-CA 3.21Å; E286-I289 VanDerWaalsContact O-CB 3.31Å; E286-I289 WeakPolarHBondContact O-CB 3.09Å; E286-I289 PolarHBondContact O-N 2.49Å; E286-Y290 HydrophobicContact CB-CE1 4.47Å; E286-Y290 HydrophobicContact CB-CE2 4.02Å; E286-Y290 VanDerWaalsContact O-CD2 3.3Å; E286-Y290 WeakPolarHBondContact O-CD2 3.45Å; E286-Y290 PolarHBondContact O-N 2.82Å; E286-Y290 PolarHBondContact OE2-OH 3.13Å
287T95Very high96.8Very high39 Ų3931.9 Ų31.924%0.23916%0.157CC..Hα-helixtrans-55.7-41.1175.553.20000111.9D285 I289 Y290 R291 L352D285-T287 PolarHBondContact O-N 3.5Å; D285-T287 VanDerWaalsContact O-N 3.16Å; D285-T287 WeakPolarHBondContact OD1-CB 3.41Å; D285-T287 WeakPolarHBondContact OD1-CG2 3.34Å; D285-T287 PolarHBondContact OD1-N 2.61Å; D285-T287 PolarHBondContact OD1-OG1 3.12Å; T287-I289 VanDerWaalsContact C-N 3.3Å; T287-I289 PolarHBondContact O-N 2.87Å; T287-Y290 PolarHBondContact O-N 3.3Å; T287-R291 WeakPolarHBondContact O-CG 3.41Å; T287-R291 PolarHBondContact O-N 2.69Å; T287-R291 VanDerWaalsContact O-N 3.15Å; T287-L352 HydrophobicContact CG2-CD1 3.86Å; T287-L352 HydrophobicContact CG2-CD2 4Å
288Y96.7Very high96.6Very high71 Ų7132.2 Ų32.228%0.27816%0.157SC..Hα-helixtrans-66.7-32.1175.1-65.6-73.3000112.5D285 E286 R291 A292 A313 M316 A317D285-Y288 HydrophobicContact CB-CD2 4.19Å; D285-Y288 HydrophobicContact CB-CE2 4.47Å; D285-Y288 PolarHBondContact O-N 3.1Å; E286-Y288 PolarHBondContact O-N 3.27Å; Y288-R291 PolarHBondContact O-N 3.15Å; Y288-A292 VanDerWaalsContact O-CB 3.3Å; Y288-A292 WeakPolarHBondContact O-CB 3.35Å; Y288-A292 PolarHBondContact O-N 3.44Å; Y288-A313 WeakPolarHBondContact O-CB 3.39Å; Y288-M316 HydrophobicContact CD1-CB 4.17Å; Y288-A317 HydrophobicContact CD1-CB 4.11Å; Y288-A317 HydrophobicContact CD2-CB 3.97Å; Y288-A317 HydrophobicContact CE1-CB 4.16Å; Y288-A317 HydrophobicContact CE2-CB 4.01Å; Y288-A317 HydrophobicContact CG-CB 4.02Å
289I97.5Very high96.4Very high0 Ų035.1 Ų35.10%017%0.169CC..Hα-helixtrans-65.1-44.8176.7-55.1177.3000110.1A258 I284 E286 T287 A292 V293 C306 T310 A313A258-I289 HydrophobicContact CB-CD1 4.21Å; I284-I289 HydrophobicContact CD1-CG1 3.97Å; E286-I289 HydrophobicContact CG-CD1 4.38Å; E286-I289 WeakPolarHBondContact O-CA 3.21Å; E286-I289 VanDerWaalsContact O-CB 3.31Å; E286-I289 WeakPolarHBondContact O-CB 3.09Å; E286-I289 PolarHBondContact O-N 2.49Å; T287-I289 VanDerWaalsContact C-N 3.3Å; T287-I289 PolarHBondContact O-N 2.87Å; I289-A292 PolarHBondContact O-N 3.17Å; I289-V293 WeakPolarHBondContact O-CG2 3.07Å; I289-V293 PolarHBondContact O-N 2.81Å; I289-C306 HydrophobicContact CG2-CB 3.64Å; I289-C306 VanDerWaalsContact CG2-O 3.25Å; I289-C306 WeakPolarHBondContact CG2-O 3.44Å; I289-T310 HydrophobicContact CD1-CG2 3.8Å; I289-T310 HydrophobicContact CG1-CG2 4.1Å; I289-A313 HydrophobicContact CG1-CB 4.13Å
290Y96.3Very high96.2Very high15 Ų1532.8 Ų32.86%0.05916%0.155CC..Hα-helixtrans-63.3-44177.8-49.9-42.2000112S257 E286 T287 A292 V293 V294 V345 K348 L352S257-Y290 VanDerWaalsContact OG-CE1 3.25Å; S257-Y290 WeakPolarHBondContact OG-CE1 3.43Å; E286-Y290 HydrophobicContact CB-CE1 4.47Å; E286-Y290 HydrophobicContact CB-CE2 4.02Å; E286-Y290 VanDerWaalsContact O-CD2 3.3Å; E286-Y290 WeakPolarHBondContact O-CD2 3.45Å; E286-Y290 PolarHBondContact O-N 2.82Å; E286-Y290 PolarHBondContact OE2-OH 3.13Å; T287-Y290 PolarHBondContact O-N 3.3Å; Y290-A292 VanDerWaalsContact C-N 3.35Å; Y290-A292 PolarHBondContact O-N 3.2Å; Y290-V293 PolarHBondContact O-N 3.41Å; Y290-V294 PolarHBondContact O-N 2.64Å; Y290-V345 HydrophobicContact CD1-CG1 4.03Å; Y290-V345 HydrophobicContact CD1-CG2 4.17Å; Y290-V345 HydrophobicContact CE1-CG2 4.47Å; Y290-K348 HydrophobicContact CD2-CB 4.36Å; Y290-K348 HydrophobicContact CD2-CD 3.69Å; Y290-K348 HydrophobicContact CD2-CG 3.77Å; Y290-K348 HydrophobicContact CE2-CD 3.45Å; Y290-K348 VanDerWaalsContact CE2-CD 3.45Å; Y290-K348 HydrophobicContact CE2-CG 4.08Å; Y290-K348 HydrophobicContact CG-CD 4.48Å; Y290-K348 HydrophobicContact CG-CG 4.42Å; Y290-L352 HydrophobicContact CD2-CD1 3.92Å
291R95.8Very high96.1Very high65 Ų6537 Ų3725%0.24517%0.174CC..Hα-helixtrans-60.1-44.7175.5-66.8175.1162.5171.50.7111.3T287 Y288 V293 V294 R295 M316 L352 E353T287-R291 WeakPolarHBondContact O-CG 3.41Å; T287-R291 PolarHBondContact O-N 2.69Å; T287-R291 VanDerWaalsContact O-N 3.15Å; Y288-R291 PolarHBondContact O-N 3.15Å; R291-V293 VanDerWaalsContact C-N 3.34Å; R291-V293 PolarHBondContact O-N 3.48Å; R291-V294 PolarHBondContact O-N 2.73Å; R291-V294 VanDerWaalsContact O-N 3.12Å; R291-R295 WeakPolarHBondContact O-CG 3.15Å; R291-R295 PolarHBondContact O-N 3.19Å; R291-M316 HydrophobicContact CB-CE 3.52Å; R291-M316 HydrophobicContact CB-SD 4.31Å; R291-L352 HydrophobicContact CG-CB 4.16Å; R291-L352 PolarHBondContact NH2-O 3.26Å; R291-E353 WeakPolarHBondContact CB-OE1 3.33Å; R291-E353 WeakPolarHBondContact CD-OE1 3.41Å; R291-E353 HydrophobicContact CG-CG 4.24Å; R291-E353 WeakPolarHBondContact CG-OE1 3.49Å; R291-E353 IonicContact NE-OE1 3.6Å; R291-E353 PolarHBondContact NE-OE1 3.47Å
292A97.1Very high96Very high0 Ų036.9 Ų36.90%017%0.173CC..Hα-helixtrans-60.7-40.617800000112.9Y288 I289 Y290 V294 R295 L296 A309 L312 A313 M316Y288-A292 VanDerWaalsContact O-CB 3.3Å; Y288-A292 WeakPolarHBondContact O-CB 3.35Å; Y288-A292 PolarHBondContact O-N 3.44Å; I289-A292 PolarHBondContact O-N 3.17Å; Y290-A292 VanDerWaalsContact C-N 3.35Å; Y290-A292 PolarHBondContact O-N 3.2Å; A292-V294 VanDerWaalsContact C-N 3.34Å; A292-V294 PolarHBondContact O-N 3.14Å; A292-R295 PolarHBondContact O-N 3.35Å; A292-L296 WeakPolarHBondContact O-CB 3.34Å; A292-L296 VanDerWaalsContact O-CG 3.26Å; A292-L296 WeakPolarHBondContact O-CG 3.4Å; A292-L296 PolarHBondContact O-N 2.58Å; A292-A309 HydrophobicContact CB-CB 4.03Å; A292-L312 HydrophobicContact CB-CB 4.15Å; A292-L312 HydrophobicContact CB-CD2 4.16Å; A292-L312 HydrophobicContact CB-CG 4.09Å; A292-A313 HydrophobicContact CB-CB 3.8Å; A292-M316 WeakPolarHBondContact CA-SD 3.44Å; A292-M316 HydrophobicContact CB-SD 3.75Å
293V97.3Very high95.9Very high1 Ų138.5 Ų38.51%0.00619%0.185CC..Hα-helixtrans-60.2-44.9174.11720000110.9I289 Y290 R291 L296 L297 A309 L342 V345I289-V293 WeakPolarHBondContact O-CG2 3.07Å; I289-V293 PolarHBondContact O-N 2.81Å; Y290-V293 PolarHBondContact O-N 3.41Å; R291-V293 VanDerWaalsContact C-N 3.34Å; R291-V293 PolarHBondContact O-N 3.48Å; V293-L296 PolarHBondContact O-N 2.93Å; V293-L297 HydrophobicContact CG1-CD1 4.26Å; V293-L297 WeakPolarHBondContact O-CG 3.48Å; V293-L297 PolarHBondContact O-N 3.01Å; V293-L297 VanDerWaalsContact O-N 3.07Å; V293-A309 HydrophobicContact CG2-CB 3.62Å; V293-L342 HydrophobicContact CG1-CD1 4.05Å; V293-V345 HydrophobicContact CB-CG1 3.75Å; V293-V345 HydrophobicContact CG1-CG1 3.74Å; V293-V345 HydrophobicContact CG2-CG1 4.06Å
294V95.4Very high95.9Very high5 Ų536.3 Ų36.33%0.0317%0.171CC..Hα-helixtrans-62.5-46.6177174.60000111.3Y290 R291 A292 L296 L297 E298 L350Y290-V294 PolarHBondContact O-N 2.64Å; R291-V294 PolarHBondContact O-N 2.73Å; R291-V294 VanDerWaalsContact O-N 3.12Å; A292-V294 VanDerWaalsContact C-N 3.34Å; A292-V294 PolarHBondContact O-N 3.14Å; V294-L296 VanDerWaalsContact C-N 3.32Å; V294-L296 PolarHBondContact O-N 3.27Å; V294-L297 WeakPolarHBondContact O-CB 3.31Å; V294-L297 PolarHBondContact O-N 3.31Å; V294-L297 VanDerWaalsContact O-N 3.09Å; V294-E298 HydrophobicContact CG1-CG 4.25Å; V294-E298 WeakPolarHBondContact O-CG 3.42Å; V294-E298 PolarHBondContact O-N 2.82Å; V294-L350 HydrophobicContact CG1-CD2 4.23Å
295R95Very high95.9Very high33 Ų3336.1 Ų36.113%0.12517%0.17CC..Hα-helixtrans-60.6-39.3177.2-62.4-58.5-75.2-178.5-9.4112.7L59 E62 R291 A292 L297 E298 F299 L312 M316L59-R295 HydrophobicContact CD1-CB 4.41Å; E62-R295 IonicContact OE1-CZ 3.59Å; E62-R295 IonicContact OE1-NH2 2.85Å; E62-R295 PolarHBondContact OE1-NH2 2.97Å; E62-R295 IonicContact OE2-CZ 3.4Å; E62-R295 IonicContact OE2-NE 3.25Å; E62-R295 IonicContact OE2-NH2 2.69Å; E62-R295 PolarHBondContact OE2-NH2 3.45Å; R291-R295 WeakPolarHBondContact O-CG 3.15Å; R291-R295 PolarHBondContact O-N 3.19Å; A292-R295 PolarHBondContact O-N 3.35Å; R295-L297 VanDerWaalsContact C-N 3.32Å; R295-L297 PolarHBondContact O-N 3.24Å; R295-E298 IonicContact NH1-OE2 3.49Å; R295-E298 PolarHBondContact NH1-OE2 3.12Å; R295-E298 PolarHBondContact O-N 3.23Å; R295-F299 VanDerWaalsContact NH2-CE2 3.35Å; R295-F299 VanDerWaalsContact NH2-CZ 3.32Å; R295-F299 WeakPolarHBondContact O-CD2 3.31Å; R295-F299 PolarHBondContact O-N 3.1Å; R295-L312 HydrophobicContact CB-CD2 4.23Å; R295-M316 HydrophobicContact CG-CE 3.7Å; R295-M316 HydrophobicContact CG-SD 4.1Å
296L97.1Very high96Very high0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-65.2-36175.8-71.3166.1000112F69 A292 V293 V294 E300 K301 S302 V304 A309 L312 L332F69-L296 HydrophobicContact CD2-CD2 4.47Å; F69-L296 HydrophobicContact CE1-CD2 4.36Å; F69-L296 HydrophobicContact CE2-CD2 3.93Å; F69-L296 HydrophobicContact CZ-CD2 3.9Å; A292-L296 WeakPolarHBondContact O-CB 3.34Å; A292-L296 VanDerWaalsContact O-CG 3.26Å; A292-L296 WeakPolarHBondContact O-CG 3.4Å; A292-L296 PolarHBondContact O-N 2.58Å; V293-L296 PolarHBondContact O-N 2.93Å; V294-L296 VanDerWaalsContact C-N 3.32Å; V294-L296 PolarHBondContact O-N 3.27Å; L296-E300 HydrophobicContact CD2-CB 4.35Å; L296-E300 HydrophobicContact CD2-CG 4.07Å; L296-E300 CarbonylContact O-C 3.54Å; L296-E300 WeakPolarHBondContact O-CA 3.34Å; L296-E300 VanDerWaalsContact O-CB 3.3Å; L296-E300 WeakPolarHBondContact O-CB 3.48Å; L296-E300 PolarHBondContact O-N 2.71Å; L296-E300 VanDerWaalsContact O-N 3.12Å; L296-K301 PolarHBondContact O-N 2.74Å; L296-S302 PolarHBondContact O-N 2.97Å; L296-V304 HydrophobicContact CB-CG2 4.47Å; L296-V304 HydrophobicContact CD1-CB 3.86Å; L296-V304 HydrophobicContact CD1-CG1 4.06Å; L296-V304 HydrophobicContact CD1-CG2 3.98Å; L296-A309 HydrophobicContact CD1-CB 3.81Å; L296-L312 HydrophobicContact CD1-CD2 4.27Å; L296-L312 HydrophobicContact CD2-CD2 3.9Å; L296-L312 HydrophobicContact CG-CD2 3.71Å; L296-L332 HydrophobicContact CD1-CD2 3.93Å; L296-L332 HydrophobicContact CD2-CD1 3.8Å; L296-L332 HydrophobicContact CD2-CD2 4.09Å
297L95.9Very high96.1Very high43 Ų4333.3 Ų33.323%0.22516%0.155CC..Hα-helixtrans-68-41.7172.9-71.2166.9000111.9V293 V294 R295 K301 S302 V303 L342 I346V293-L297 HydrophobicContact CG1-CD1 4.26Å; V293-L297 WeakPolarHBondContact O-CG 3.48Å; V293-L297 PolarHBondContact O-N 3.01Å; V293-L297 VanDerWaalsContact O-N 3.07Å; V294-L297 WeakPolarHBondContact O-CB 3.31Å; V294-L297 PolarHBondContact O-N 3.31Å; V294-L297 VanDerWaalsContact O-N 3.09Å; R295-L297 VanDerWaalsContact C-N 3.32Å; R295-L297 PolarHBondContact O-N 3.24Å; L297-K301 WeakPolarHBondContact O-CA 3.23Å; L297-K301 VanDerWaalsContact O-CD 3.27Å; L297-K301 WeakPolarHBondContact O-CD 3.43Å; L297-K301 PolarHBondContact O-N 3.44Å; L297-S302 WeakPolarHBondContact CD2-O 3.14Å; L297-V303 HydrophobicContact CD2-CG2 4.07Å; L297-L342 HydrophobicContact CD1-CD1 4.27Å; L297-I346 HydrophobicContact CD1-CD1 3.7Å; L297-I346 HydrophobicContact CD1-CG1 3.69Å
298E92.8Very high96.2Very high64 Ų6431.5 Ų31.530%0.29914%0.144SC..Hα-helixtrans-72.2-47.9-176.1-73.3176160.500113V294 R295 K301V294-E298 HydrophobicContact CG1-CG 4.25Å; V294-E298 WeakPolarHBondContact O-CG 3.42Å; V294-E298 PolarHBondContact O-N 2.82Å; R295-E298 IonicContact NH1-OE2 3.49Å; R295-E298 PolarHBondContact NH1-OE2 3.12Å; R295-E298 PolarHBondContact O-N 3.23Å; E298-K301 VanDerWaalsContact O-CE 3.25Å; E298-K301 WeakPolarHBondContact O-CE 3.33Å; E298-K301 PolarHBondContact O-NZ 3.49Å
299F94.3Very high96.3Very high74 Ų7428.1 Ų28.133%0.32513%0.131SC..Hα-helixtrans-100.8-35.2-170.3-67.4-91.6000112.8L59 R295L59-F299 HydrophobicContact CD2-CB 4.11Å; L59-F299 HydrophobicContact CD2-CD1 4.18Å; L59-F299 HydrophobicContact CD2-CD2 3.85Å; L59-F299 HydrophobicContact CD2-CE2 4.46Å; L59-F299 HydrophobicContact CD2-CG 3.73Å; L59-F299 HydrophobicContact CG-CB 4.2Å; L59-F299 HydrophobicContact CG-CG 4.35Å; R295-F299 VanDerWaalsContact NH2-CE2 3.35Å; R295-F299 VanDerWaalsContact NH2-CZ 3.32Å; R295-F299 WeakPolarHBondContact O-CD2 3.31Å; R295-F299 PolarHBondContact O-N 3.1Å
300E94.9Very high96.3Very high30 Ų3028.1 Ų28.114%0.1413%0.131CC..SBendtrans-100.5-5.9-177.9-65-66.3146.100113.2S57 F69 K71 L296 S302S57-E300 WeakPolarHBondContact CA-OE1 3.36Å; S57-E300 VanDerWaalsContact CB-OE1 3.24Å; S57-E300 WeakPolarHBondContact CB-OE1 3.41Å; S57-E300 PolarHBondContact OG-OE1 2.77Å; F69-E300 HydrophobicContact CD2-CG 3.8Å; F69-E300 HydrophobicContact CE2-CG 3.58Å; K71-E300 IonicContact NZ-OE2 3.94Å; K71-E300 PolarHBondContact NZ-OE2 2.66Å; L296-E300 HydrophobicContact CD2-CB 4.35Å; L296-E300 HydrophobicContact CD2-CG 4.07Å; L296-E300 CarbonylContact O-C 3.54Å; L296-E300 WeakPolarHBondContact O-CA 3.34Å; L296-E300 VanDerWaalsContact O-CB 3.3Å; L296-E300 WeakPolarHBondContact O-CB 3.48Å; L296-E300 PolarHBondContact O-N 2.71Å; L296-E300 VanDerWaalsContact O-N 3.12Å; E300-S302 PolarHBondContact O-N 3.14Å; E300-S302 VanDerWaalsContact O-N 3.12Å; E300-S302 PolarHBondContact O-OG 2.62Å
301K95.9Very high96.4Very high170 Ų17027.4 Ų27.474%0.73913%0.128SC*.  trans48.738.5-176.5-52.3-48.4-170-170.60112.3L296 L297 E298L296-K301 PolarHBondContact O-N 2.74Å; L297-K301 WeakPolarHBondContact O-CA 3.23Å; L297-K301 VanDerWaalsContact O-CD 3.27Å; L297-K301 WeakPolarHBondContact O-CD 3.43Å; L297-K301 PolarHBondContact O-N 3.44Å; E298-K301 VanDerWaalsContact O-CE 3.25Å; E298-K301 WeakPolarHBondContact O-CE 3.33Å; E298-K301 PolarHBondContact O-NZ 3.49Å
302S96Very high96.5Very high13 Ų1324.3 Ų24.39%0.09112%0.116CC..  trans-121.8131.1-169.2-65.80000110.8F73 L296 L297 E300 V304F73-S302 WeakPolarHBondContact CZ-OG 3.23Å; L296-S302 PolarHBondContact O-N 2.97Å; L297-S302 WeakPolarHBondContact CD2-O 3.14Å; E300-S302 PolarHBondContact O-N 3.14Å; E300-S302 VanDerWaalsContact O-N 3.12Å; E300-S302 PolarHBondContact O-OG 2.62Å; S302-V304 PolarHBondContact O-N 2.75Å
303V97.1Very high96.6Very high69 Ų6924.3 Ų24.342%0.41812%0.116SC..  trans-85.5107.6171.8-179.40000108.3L297 I337 L342L297-V303 HydrophobicContact CD2-CG2 4.07Å; V303-I337 HydrophobicContact CG1-CG2 3.77Å; V303-L342 HydrophobicContact CG1-CD2 4.01Å
304V97.7Very high96.6Very high1 Ų124.2 Ų24.21%0.00612%0.116CC..  trans-121.2136.6-179.9-175.40000108F73 L296 S302 A309 L332 G334F73-V304 HydrophobicContact CD1-CG2 3.83Å; F73-V304 HydrophobicContact CE1-CG2 3.9Å; F73-V304 HydrophobicContact CG-CG2 4.24Å; F73-V304 HydrophobicContact CZ-CG2 4.37Å; L296-V304 HydrophobicContact CB-CG2 4.47Å; L296-V304 HydrophobicContact CD1-CB 3.86Å; L296-V304 HydrophobicContact CD1-CG1 4.06Å; L296-V304 HydrophobicContact CD1-CG2 3.98Å; S302-V304 PolarHBondContact O-N 2.75Å; V304-A309 HydrophobicContact CG1-CB 4.36Å; V304-L332 HydrophobicContact CG1-CB 4.35Å; V304-L332 HydrophobicContact CG2-CD1 4.34Å; V304-G334 VanDerWaalsContact CG1-O 3.3Å; V304-G334 WeakPolarHBondContact CG1-O 3.44Å
305E96.4Very high96.8Very high4 Ų424.2 Ų24.22%0.01912%0.116CC..  trans-74.4161.5177.779.3-164.2163.800110.8N108 S307 G308 A309 G334 N336 I337N108-E305 PolarHBondContact ND2-OE1 3.33Å; N108-E305 PolarHBondContact ND2-OE2 3.47Å; E305-S307 VanDerWaalsContact C-N 3.29Å; E305-S307 PolarHBondContact O-N 3.15Å; E305-G308 CarbonylContact O-C 3.33Å; E305-G308 WeakPolarHBondContact O-CA 3.05Å; E305-G308 PolarHBondContact O-N 3.24Å; E305-A309 PolarHBondContact O-N 3.28Å; E305-G334 WeakPolarHBondContact CG-O 3.38Å; E305-G334 PolarHBondContact N-O 3.46Å; E305-G334 WeakPolarHBondContact OE1-CA 3.44Å; E305-N336 PolarHBondContact OE2-N 3.36Å; E305-N336 VanDerWaalsContact OE2-N 3.15Å; E305-I337 HydrophobicContact CB-CB 3.96Å
306C97.1Very high96.8Very high1 Ų124 Ų241%0.00712%0.116CC..Hα-helixtrans-53.7-44.2-178.7-70.80000112.9S257 A258 I289 G308 A309 T310S257-C306 VanDerWaalsContact O-CB 3.24Å; S257-C306 WeakPolarHBondContact O-CB 3.36Å; A258-C306 HydrophobicContact CB-CB 4.3Å; I289-C306 HydrophobicContact CG2-CB 3.64Å; I289-C306 VanDerWaalsContact CG2-O 3.25Å; I289-C306 WeakPolarHBondContact CG2-O 3.44Å; C306-G308 VanDerWaalsContact C-N 3.29Å; C306-G308 PolarHBondContact O-N 3.49Å; C306-A309 PolarHBondContact O-N 3.24Å; C306-T310 WeakPolarHBondContact O-CG2 3.45Å; C306-T310 PolarHBondContact O-N 3.3Å
307S96.3Very high96.8Very high2 Ų224.6 Ų24.61%0.01412%0.122CC..Hα-helixtrans-59.4-39.5175.4-58.40000112.6A258 G260 E305 A309 T310A258-S307 WeakPolarHBondContact CA-OG 3.43Å; A258-S307 PolarHBondContact O-OG 3.23Å; G260-S307 WeakPolarHBondContact CA-OG 3.48Å; G260-S307 PolarHBondContact N-OG 3.19Å; E305-S307 VanDerWaalsContact C-N 3.29Å; E305-S307 PolarHBondContact O-N 3.15Å; S307-A309 VanDerWaalsContact C-N 3.35Å; S307-T310 PolarHBondContact O-OG1 3.5Å
308G97.5Very high96.8Very high0 Ų027.7 Ų27.70%014%0.139CC..Hα-helixtrans-70.5-28.5177.400000113.8E305 C306 L332 S333E305-G308 CarbonylContact O-C 3.33Å; E305-G308 WeakPolarHBondContact O-CA 3.05Å; E305-G308 PolarHBondContact O-N 3.24Å; C306-G308 VanDerWaalsContact C-N 3.29Å; C306-G308 PolarHBondContact O-N 3.49Å; G308-L332 WeakPolarHBondContact O-CA 3.3Å; G308-S333 VanDerWaalsContact CA-OG 3.3Å; G308-S333 WeakPolarHBondContact CA-OG 3.38Å
309A98.2Very high96.9Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-84-9.8-178.300000114A292 V293 L296 V304 E305 C306 S307 S311 L312 A313A292-A309 HydrophobicContact CB-CB 4.03Å; V293-A309 HydrophobicContact CG2-CB 3.62Å; L296-A309 HydrophobicContact CD1-CB 3.81Å; V304-A309 HydrophobicContact CG1-CB 4.36Å; E305-A309 PolarHBondContact O-N 3.28Å; C306-A309 PolarHBondContact O-N 3.24Å; S307-A309 VanDerWaalsContact C-N 3.35Å; A309-S311 PolarHBondContact O-N 3.29Å; A309-L312 PolarHBondContact O-N 2.8Å; A309-L312 VanDerWaalsContact O-N 3.14Å; A309-A313 PolarHBondContact O-N 2.95Å
310T98.4Very high97.1Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-58.5-32.2-175.452.20000114.2P205 A258 L261 I289 C306 S307 A313 L314P205-T310 VanDerWaalsContact CB-OG1 3.29Å; P205-T310 WeakPolarHBondContact CB-OG1 3.44Å; P205-T310 WeakPolarHBondContact CG-OG1 3.49Å; A258-T310 HydrophobicContact CB-CG2 4.47Å; L261-T310 HydrophobicContact CD1-CG2 3.61Å; I289-T310 HydrophobicContact CD1-CG2 3.8Å; I289-T310 HydrophobicContact CG1-CG2 4.1Å; C306-T310 WeakPolarHBondContact O-CG2 3.45Å; C306-T310 PolarHBondContact O-N 3.3Å; S307-T310 PolarHBondContact O-OG1 3.5Å; T310-A313 WeakPolarHBondContact O-CB 3.28Å; T310-A313 PolarHBondContact O-N 3.48Å; T310-L314 PolarHBondContact O-N 3.36Å
311S98.4Very high97.1Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-64.7-41.8177.756.20000112.5A309 I331A309-S311 PolarHBondContact O-N 3.29Å; S311-I331 PolarHBondContact OG-N 3.26Å; S311-I331 PolarHBondContact OG-O 3.1Å
312L98.3Very high97.2Very high0 Ų022.6 Ų22.60%013%0.13CC..Hα-helixtrans-70-40171177.661000111.2L59 Y63 F69 A292 R295 L296 A309 L314 I315 M316L59-L312 HydrophobicContact CD1-CD1 4.07Å; L59-L312 HydrophobicContact CD1-CD2 3.81Å; Y63-L312 HydrophobicContact CE2-CD1 4.49Å; F69-L312 HydrophobicContact CE1-CB 4.27Å; F69-L312 HydrophobicContact CE1-CD1 4.37Å; F69-L312 HydrophobicContact CZ-CD1 4.08Å; F69-L312 HydrophobicContact CZ-CD2 4.13Å; F69-L312 HydrophobicContact CZ-CG 4.48Å; A292-L312 HydrophobicContact CB-CB 4.15Å; A292-L312 HydrophobicContact CB-CD2 4.16Å; A292-L312 HydrophobicContact CB-CG 4.09Å; R295-L312 HydrophobicContact CB-CD2 4.23Å; L296-L312 HydrophobicContact CD1-CD2 4.27Å; L296-L312 HydrophobicContact CD2-CD2 3.9Å; L296-L312 HydrophobicContact CG-CD2 3.71Å; A309-L312 PolarHBondContact O-N 2.8Å; A309-L312 VanDerWaalsContact O-N 3.14Å; L312-L314 PolarHBondContact O-N 3.33Å; L312-I315 HydrophobicContact CD1-CB 4.45Å; L312-I315 WeakPolarHBondContact O-CA 3.41Å; L312-I315 WeakPolarHBondContact O-CB 3.43Å; L312-I315 PolarHBondContact O-N 3.45Å; L312-M316 HydrophobicContact CD1-CG 4.39Å; L312-M316 HydrophobicContact CG-CG 4.28Å; L312-M316 HydrophobicContact CG-SD 4.15Å; L312-M316 WeakPolarHBondContact O-CG 3.4Å; L312-M316 PolarHBondContact O-N 3.17Å
313A98Very high97.3Very high0 Ų022.2 Ų22.20%013%0.127CC..Hα-helixtrans-57.8-34.3178.500000112.6I284 Y288 I289 A292 A309 T310 M316 A317I284-A313 HydrophobicContact CD1-CB 3.42Å; I284-A313 VanDerWaalsContact CD1-CB 3.42Å; Y288-A313 WeakPolarHBondContact O-CB 3.39Å; I289-A313 HydrophobicContact CG1-CB 4.13Å; A292-A313 HydrophobicContact CB-CB 3.8Å; A309-A313 PolarHBondContact O-N 2.95Å; T310-A313 WeakPolarHBondContact O-CB 3.28Å; T310-A313 PolarHBondContact O-N 3.48Å; A313-M316 PolarHBondContact O-N 3.33Å; A313-A317 WeakPolarHBondContact O-CB 3.11Å; A313-A317 PolarHBondContact O-N 2.95Å
314L98.3Very high97.3Very high0 Ų023.2 Ų23.20%013%0.129CC..Hα-helixtrans-63.9-41.7173.5-170.668.5000112.7I203 V229 V231 I282 I284 T310 L312 M316 A317 V319 L320I203-L314 HydrophobicContact CD1-CD2 4.14Å; I203-L314 HydrophobicContact CG1-CD2 4.33Å; I203-L314 HydrophobicContact CG2-CB 4.29Å; I203-L314 HydrophobicContact CG2-CD2 3.61Å; V229-L314 HydrophobicContact CB-CD2 4.47Å; V229-L314 HydrophobicContact CG1-CD2 3.6Å; V231-L314 HydrophobicContact CB-CB 4.44Å; V231-L314 HydrophobicContact CB-CD2 4.21Å; V231-L314 HydrophobicContact CG2-CB 4.08Å; V231-L314 HydrophobicContact CG2-CD1 4.15Å; V231-L314 HydrophobicContact CG2-CG 4.49Å; I282-L314 HydrophobicContact CB-CD1 3.94Å; I282-L314 HydrophobicContact CD1-CD1 4.37Å; I282-L314 HydrophobicContact CG2-CD1 3.65Å; I284-L314 HydrophobicContact CG2-CD1 3.46Å; I284-L314 VanDerWaalsContact CG2-CD1 3.46Å; T310-L314 PolarHBondContact O-N 3.36Å; L312-L314 PolarHBondContact O-N 3.33Å; L314-M316 VanDerWaalsContact C-N 3.33Å; L314-A317 PolarHBondContact O-N 3.41Å; L314-V319 HydrophobicContact CD1-CG2 3.52Å; L314-V319 HydrophobicContact CG-CG2 4.24Å; L314-L320 HydrophobicContact CD2-CD1 3.64Å; L314-L320 HydrophobicContact CG-CD1 4.1Å
315I98.2Very high97.3Very high5 Ų526.3 Ų26.33%0.02616%0.161CC..Hα-helixtrans-61.1-45.6173.6-63.4-59.8000110.1Y63 M65 I67 I203 L312 A317 N318 L323 V328Y63-I315 HydrophobicContact CD1-CG2 3.87Å; Y63-I315 HydrophobicContact CD2-CG2 3.95Å; Y63-I315 HydrophobicContact CE1-CG2 4.45Å; Y63-I315 HydrophobicContact CG-CG2 3.62Å; M65-I315 HydrophobicContact SD-CD1 3.76Å; M65-I315 HydrophobicContact SD-CG2 4.31Å; I67-I315 HydrophobicContact CD1-CG2 3.98Å; I203-I315 HydrophobicContact CD1-CD1 3.35Å; I203-I315 HydrophobicContact CD1-CG1 3.75Å; L312-I315 HydrophobicContact CD1-CB 4.45Å; L312-I315 WeakPolarHBondContact O-CA 3.41Å; L312-I315 WeakPolarHBondContact O-CB 3.43Å; L312-I315 PolarHBondContact O-N 3.45Å; I315-A317 VanDerWaalsContact C-N 3.27Å; I315-A317 PolarHBondContact O-N 3.49Å; I315-N318 PolarHBondContact O-N 3.46Å; I315-L323 HydrophobicContact CD1-CD1 4.41Å; I315-V328 HydrophobicContact CD1-CG1 4.33Å
316M96.7Very high97.4Very high27 Ų2730.2 Ų30.213%0.13318%0.178CC..Hα-helixtrans-64.4-30.7179.5-62.4-17870.700113.2Y63 Y288 R291 A292 R295 L312 A313 L314 N318Y63-M316 HydrophobicContact CE1-CG 4.31Å; Y63-M316 WeakPolarHBondContact OH-CG 3.33Å; Y288-M316 HydrophobicContact CD1-CB 4.17Å; R291-M316 HydrophobicContact CB-CE 3.52Å; R291-M316 HydrophobicContact CB-SD 4.31Å; A292-M316 WeakPolarHBondContact CA-SD 3.44Å; A292-M316 HydrophobicContact CB-SD 3.75Å; R295-M316 HydrophobicContact CG-CE 3.7Å; R295-M316 HydrophobicContact CG-SD 4.1Å; L312-M316 HydrophobicContact CD1-CG 4.39Å; L312-M316 HydrophobicContact CG-CG 4.28Å; L312-M316 HydrophobicContact CG-SD 4.15Å; L312-M316 WeakPolarHBondContact O-CG 3.4Å; L312-M316 PolarHBondContact O-N 3.17Å; A313-M316 PolarHBondContact O-N 3.33Å; L314-M316 VanDerWaalsContact C-N 3.33Å; M316-N318 PolarHBondContact O-N 3.36Å
317A96.6Very high97.5Very high14 Ų1432.4 Ų32.412%0.11619%0.187CC..THydrogen-bonded Turntrans-68.3-14.9174.500000112.9I284 Y288 A313 L314 I315 V319I284-A317 HydrophobicContact CG2-CB 4.25Å; Y288-A317 HydrophobicContact CD1-CB 4.11Å; Y288-A317 HydrophobicContact CD2-CB 3.97Å; Y288-A317 HydrophobicContact CE1-CB 4.16Å; Y288-A317 HydrophobicContact CE2-CB 4.01Å; Y288-A317 HydrophobicContact CG-CB 4.02Å; A313-A317 WeakPolarHBondContact O-CB 3.11Å; A313-A317 PolarHBondContact O-N 2.95Å; L314-A317 PolarHBondContact O-N 3.41Å; I315-A317 VanDerWaalsContact C-N 3.27Å; I315-A317 PolarHBondContact O-N 3.49Å; A317-V319 HydrophobicContact CB-CG1 4.09Å; A317-V319 HydrophobicContact CB-CG2 4.35Å; A317-V319 PolarHBondContact O-N 3.04Å
318N95Very high97.6Very high108 Ų10832.3 Ų32.358%0.57819%0.187SC*.THydrogen-bonded Turntrans53.839.5177.3-167.234.3000113.4I315 M316I315-N318 PolarHBondContact O-N 3.46Å; M316-N318 PolarHBondContact O-N 3.36Å
319V96.6Very high97.7Very high70 Ų7032.3 Ų32.342%0.42419%0.187SC..  trans-96.24.9-178.9-63.10000113.6I282 L314 A317I282-V319 HydrophobicContact CD1-CG2 4.44Å; I282-V319 HydrophobicContact CG2-CG2 4.16Å; L314-V319 HydrophobicContact CD1-CG2 3.52Å; L314-V319 HydrophobicContact CG-CG2 4.24Å; A317-V319 HydrophobicContact CB-CG1 4.09Å; A317-V319 HydrophobicContact CB-CG2 4.35Å; A317-V319 PolarHBondContact O-N 3.04Å
320L96.7Very high97.7Very high5 Ų532.3 Ų32.33%0.02619%0.187CC..  trans-132.263.5-178.8-67.5172.5000111.3V229 K280 I282 L314 E322 L323V229-L320 HydrophobicContact CG1-CD1 4.13Å; V229-L320 HydrophobicContact CG2-CD1 4.21Å; K280-L320 HydrophobicContact CD-CD2 4.13Å; I282-L320 HydrophobicContact CD1-CD1 4.28Å; I282-L320 HydrophobicContact CD1-CD2 3.64Å; I282-L320 HydrophobicContact CD1-CG 4.05Å; L314-L320 HydrophobicContact CD2-CD1 3.64Å; L314-L320 HydrophobicContact CG-CD1 4.1Å; L320-E322 VanDerWaalsContact C-OE2 3.25Å; L320-E322 WeakPolarHBondContact CA-OE2 3.42Å; L320-E322 WeakPolarHBondContact CD2-OE1 3.28Å; L320-E322 PolarHBondContact O-N 3.48Å; L320-E322 VanDerWaalsContact O-N 3.14Å; L320-L323 HydrophobicContact CB-CD1 3.84Å; L320-L323 HydrophobicContact CB-CG 3.95Å; L320-L323 HydrophobicContact CD1-CD1 3.66Å; L320-L323 HydrophobicContact CG-CD1 4.36Å; L320-L323 WeakPolarHBondContact O-CB 3.06Å; L320-L323 PolarHBondContact O-N 3.24Å
321P96.4Very high97.8Very high79 Ų7932.3 Ų32.351%0.51319%0.187SC..G310 helixtrans-60.4-22.8-178.426.6-35.9000113.3L323 I324P321-L323 PolarHBondContact O-N 2.89Å; P321-I324 HydrophobicContact CB-CD1 4.43Å; P321-I324 WeakPolarHBondContact O-CB 3.22Å; P321-I324 WeakPolarHBondContact O-CG1 3.38Å; P321-I324 PolarHBondContact O-N 3.46Å
322E97.6Very high97.8Very high76 Ų7632.3 Ų32.336%0.35519%0.187SC..G310 helixtrans-64.7-15.9174.967.8-91.2-145.100114.2M227 K280 L320M227-E322 HydrophobicContact CE-CG 4.45Å; K280-E322 IonicContact NZ-OE1 2.66Å; K280-E322 PolarHBondContact NZ-OE1 2.89Å; L320-E322 VanDerWaalsContact C-OE2 3.25Å; L320-E322 WeakPolarHBondContact CA-OE2 3.42Å; L320-E322 WeakPolarHBondContact CD2-OE1 3.28Å; L320-E322 PolarHBondContact O-N 3.48Å; L320-E322 VanDerWaalsContact O-N 3.14Å
323L97.9Very high97.8Very high6 Ų632.4 Ų32.43%0.03119%0.187CC..G310 helixtrans-85.1-8.4176.7-62-173.4000113.1M65 A201 I203 M227 I315 L320 P321 G325 K326 V328M65-L323 HydrophobicContact CE-CB 3.86Å; M65-L323 WeakPolarHBondContact CG-O 3.17Å; M65-L323 HydrophobicContact SD-CB 3.86Å; A201-L323 HydrophobicContact CB-CD1 4.35Å; A201-L323 HydrophobicContact CB-CD2 3.53Å; I203-L323 HydrophobicContact CD1-CD1 4.38Å; M227-L323 HydrophobicContact SD-CD2 4.19Å; I315-L323 HydrophobicContact CD1-CD1 4.41Å; L320-L323 HydrophobicContact CB-CD1 3.84Å; L320-L323 HydrophobicContact CB-CG 3.95Å; L320-L323 HydrophobicContact CD1-CD1 3.66Å; L320-L323 HydrophobicContact CG-CD1 4.36Å; L320-L323 WeakPolarHBondContact O-CB 3.06Å; L320-L323 PolarHBondContact O-N 3.24Å; P321-L323 PolarHBondContact O-N 2.89Å; L323-G325 PolarHBondContact O-N 3Å; L323-K326 WeakPolarHBondContact O-CB 3.48Å; L323-K326 WeakPolarHBondContact O-CG 3.38Å; L323-K326 PolarHBondContact O-N 2.92Å; L323-V328 HydrophobicContact CB-CG2 4.04Å; L323-V328 HydrophobicContact CD1-CG1 4.27Å; L323-V328 HydrophobicContact CD1-CG2 4.1Å; L323-V328 HydrophobicContact CD2-CG2 4.4Å; L323-V328 HydrophobicContact CG-CG2 4.41Å
324I97.8Very high97.8Very high89 Ų8932.4 Ų32.446%0.45619%0.187SC..THydrogen-bonded Turntrans-60.6130.4176.3-63.9171.6000109.5N64 M65 P321 K326N64-I324 HydrophobicContact CB-CG2 4.08Å; M65-I324 HydrophobicContact CE-CG1 3.85Å; P321-I324 HydrophobicContact CB-CD1 4.43Å; P321-I324 WeakPolarHBondContact O-CB 3.22Å; P321-I324 WeakPolarHBondContact O-CG1 3.38Å; P321-I324 PolarHBondContact O-N 3.46Å; I324-K326 VanDerWaalsContact C-N 3.28Å; I324-K326 PolarHBondContact O-N 3.37Å
325G98Very high97.7Very high66 Ų6633.2 Ų33.268%0.6820%0.196SC*.THydrogen-bonded Turntrans77.35.9-175.700000114.9N64 L323N64-G325 PolarHBondContact O-N 3.44Å; L323-G325 PolarHBondContact O-N 3Å
326K98.5Very high97.5Very high87 Ų8733.3 Ų33.338%0.37820%0.196SC..SBendtrans-102.3161.4-178.5-57.7-56.4-161.3159.10113D66 D200 L323 I324 V328D66-K326 PolarHBondContact N-O 3.39Å; D200-K326 HydrophobicContact CB-CB 3.88Å; D200-K326 HydrophobicContact CB-CD 4.3Å; D200-K326 HydrophobicContact CB-CG 4.38Å; D200-K326 IonicContact OD1-NZ 2.69Å; L323-K326 WeakPolarHBondContact O-CB 3.48Å; L323-K326 WeakPolarHBondContact O-CG 3.38Å; L323-K326 PolarHBondContact O-N 2.92Å; I324-K326 VanDerWaalsContact C-N 3.28Å; I324-K326 PolarHBondContact O-N 3.37Å; K326-V328 HydrophobicContact CB-CG2 4.38Å
327K98.8Very high97.4Very high47 Ų4732.9 Ų32.920%0.20419%0.194CC..EExtended strand (participates in β ladder)trans-86.3114.2169.7-73.3-179.5172.7-174.90110.2D66 Y68 D198 D200 A201D66-K327 HydrophobicContact CB-CB 4.37Å; D66-K327 HydrophobicContact CB-CG 3.69Å; D66-K327 WeakPolarHBondContact O-CA 3.38Å; Y68-K327 HydrophobicContact CE2-CG 4.41Å; D198-K327 WeakPolarHBondContact OD1-CD 3.46Å; D198-K327 IonicContact OD1-NZ 2.59Å; D198-K327 PolarHBondContact OD1-NZ 3.45Å; D198-K327 IonicContact OD2-NZ 2.6Å; D198-K327 PolarHBondContact OD2-NZ 3.17Å; D200-K327 WeakPolarHBondContact CB-O 3.28Å; D200-K327 PolarHBondContact N-O 2.9Å; D200-K327 PolarHBondContact OD2-N 3.38Å; A201-K327 PolarHBondContact N-O 3.13Å; A201-K327 VanDerWaalsContact N-O 3.16Å
328V98.9Very high97.1Very high0 Ų034.1 Ų34.10%020%0.199CC..EExtended strand (participates in β ladder)trans-121.3128.1-174.8-172.10000109.9M65 D66 I67 Y68 A201 I203 I315 L323 K326M65-V328 HydrophobicContact SD-CG2 4.35Å; D66-V328 PolarHBondContact O-N 2.95Å; I67-V328 CarbonylContact C-O 3.32Å; I67-V328 WeakPolarHBondContact CA-O 3.44Å; Y68-V328 PolarHBondContact N-O 2.79Å; A201-V328 HydrophobicContact CB-CG1 4.36Å; A201-V328 HydrophobicContact CB-CG2 4.43Å; A201-V328 CarbonylContact O-C 3.39Å; A201-V328 WeakPolarHBondContact O-CA 3.44Å; I203-V328 HydrophobicContact CD1-CG1 3.76Å; I203-V328 HydrophobicContact CG1-CG1 3.98Å; I315-V328 HydrophobicContact CD1-CG1 4.33Å; L323-V328 HydrophobicContact CB-CG2 4.04Å; L323-V328 HydrophobicContact CD1-CG1 4.27Å; L323-V328 HydrophobicContact CD1-CG2 4.1Å; L323-V328 HydrophobicContact CD2-CG2 4.4Å; L323-V328 HydrophobicContact CG-CG2 4.41Å; K326-V328 HydrophobicContact CB-CG2 4.38Å
329V98.9Very high96.9Very high0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-99.1119.9172.4174.20000109.6Y68 K70 I192 V196 V199 A201 I202 I203Y68-V329 CarbonylContact O-C 3.52Å; Y68-V329 WeakPolarHBondContact O-CA 3.34Å; K70-V329 HydrophobicContact CB-CG1 4.08Å; I192-V329 HydrophobicContact CD1-CG1 3.84Å; I192-V329 HydrophobicContact CG1-CG1 4.08Å; I192-V329 HydrophobicContact CG2-CB 4.24Å; I192-V329 HydrophobicContact CG2-CG1 4.1Å; I192-V329 HydrophobicContact CG2-CG2 3.91Å; V196-V329 HydrophobicContact CB-CG2 4.29Å; V196-V329 HydrophobicContact CG1-CG2 4.48Å; V196-V329 HydrophobicContact CG2-CG2 4.17Å; V199-V329 HydrophobicContact CB-CG2 4.36Å; V199-V329 HydrophobicContact CG2-CB 4.23Å; V199-V329 HydrophobicContact CG2-CG2 3.64Å; A201-V329 PolarHBondContact O-N 3.11Å; I202-V329 CarbonylContact C-O 3.57Å; I202-V329 WeakPolarHBondContact CA-O 3.43Å; I202-V329 HydrophobicContact CG1-CB 4.29Å; I202-V329 HydrophobicContact CG2-CB 4.47Å; I203-V329 PolarHBondContact N-O 3.4Å
330C98.9Very high96.6Very high0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-97.9122.5171.1-70.40000109.7Y68 F69 K70 L332Y68-C330 PolarHBondContact O-N 2.8Å; F69-C330 WeakPolarHBondContact CA-O 3.41Å; F69-C330 HydrophobicContact CD1-CB 3.63Å; F69-C330 HydrophobicContact CE1-CB 3.67Å; K70-C330 PolarHBondContact N-O 2.58Å; C330-L332 PolarHBondContact O-N 3.16Å
331I98.9Very high96.3Very high0 Ų038 Ų380%022%0.224CC..EExtended strand (participates in β ladder)trans-82.4117.9175.9-58.8178000109.5K70 E72 I188 I192 I202 I203 V204 L211 L215 S311 S333K70-I331 HydrophobicContact CB-CG1 4.36Å; E72-I331 HydrophobicContact CG-CG2 4.35Å; I188-I331 HydrophobicContact CG2-CD1 4.09Å; I192-I331 HydrophobicContact CD1-CD1 4.09Å; I192-I331 HydrophobicContact CD1-CG1 4.14Å; I202-I331 HydrophobicContact CG2-CD1 4.14Å; I202-I331 HydrophobicContact CG2-CG1 4.32Å; I203-I331 PolarHBondContact O-N 3.47Å; V204-I331 HydrophobicContact CB-CD1 4.47Å; V204-I331 HydrophobicContact CG1-CD1 4.26Å; V204-I331 HydrophobicContact CG2-CD1 3.98Å; L211-I331 HydrophobicContact CD2-CG2 4.34Å; L215-I331 HydrophobicContact CD1-CD1 3.34Å; S311-I331 PolarHBondContact OG-N 3.26Å; S311-I331 PolarHBondContact OG-O 3.1Å; I331-S333 PolarHBondContact O-N 3.49Å
332L98.8Very high96.3Very high0 Ų035.1 Ų35.10%020%0.204CC..  trans-92.283.6172.2-57.4-176.9000108.5F69 K70 E72 F73 L296 V304 G308 C330 G334F69-L332 HydrophobicContact CB-CD1 3.71Å; F69-L332 HydrophobicContact CB-CG 4.12Å; F69-L332 HydrophobicContact CD1-CD1 3.79Å; F69-L332 HydrophobicContact CD1-CD2 3.86Å; F69-L332 HydrophobicContact CD1-CG 3.78Å; F69-L332 HydrophobicContact CD2-CD1 4.2Å; F69-L332 HydrophobicContact CE1-CD1 4.49Å; F69-L332 HydrophobicContact CE1-CD2 4.12Å; F69-L332 HydrophobicContact CG-CD1 3.65Å; F69-L332 HydrophobicContact CG-CG 4.1Å; K70-L332 PolarHBondContact O-N 2.77Å; E72-L332 WeakPolarHBondContact CB-O 3.43Å; E72-L332 PolarHBondContact N-O 3.21Å; E72-L332 VanDerWaalsContact N-O 3.11Å; F73-L332 HydrophobicContact CD1-CB 3.76Å; F73-L332 HydrophobicContact CD1-CD1 4.35Å; F73-L332 HydrophobicContact CE1-CB 4.07Å; F73-L332 HydrophobicContact CE1-CD1 3.83Å; F73-L332 PolarHBondContact N-O 3.32Å; F73-L332 VanDerWaalsContact N-O 3.11Å; L296-L332 HydrophobicContact CD1-CD2 3.93Å; L296-L332 HydrophobicContact CD2-CD1 3.8Å; L296-L332 HydrophobicContact CD2-CD2 4.09Å; V304-L332 HydrophobicContact CG1-CB 4.35Å; V304-L332 HydrophobicContact CG2-CD1 4.34Å; G308-L332 WeakPolarHBondContact O-CA 3.3Å; C330-L332 PolarHBondContact O-N 3.16Å; L332-G334 PolarHBondContact O-N 3.09Å
333S98.5Very high96.1Very high2 Ų235.8 Ų35.81%0.01421%0.21CC..  trans-69.9-26.7-159.3680000115.1S79 F80 G308 I331S79-S333 VanDerWaalsContact CA-O 3.31Å; S79-S333 WeakPolarHBondContact CA-O 3.38Å; S79-S333 WeakPolarHBondContact CB-O 3Å; F80-S333 WeakPolarHBondContact CD1-O 3.47Å; F80-S333 PolarHBondContact N-O 3.38Å; G308-S333 VanDerWaalsContact CA-OG 3.3Å; G308-S333 WeakPolarHBondContact CA-OG 3.38Å; I331-S333 PolarHBondContact O-N 3.49Å
334G97.6Very high95.9Very high0 Ų044.5 Ų44.50%024%0.243CC..BIsolated β-bridgetrans-165164-179.700000114.4F73 G78 V304 E305 L332F73-G334 VanDerWaalsContact CB-C 3.46Å; G78-G334 CarbonylContact O-C 3.58Å; G78-G334 VanDerWaalsContact O-CA 3.27Å; G78-G334 WeakPolarHBondContact O-CA 3.36Å; V304-G334 VanDerWaalsContact CG1-O 3.3Å; V304-G334 WeakPolarHBondContact CG1-O 3.44Å; E305-G334 WeakPolarHBondContact CG-O 3.38Å; E305-G334 PolarHBondContact N-O 3.46Å; E305-G334 WeakPolarHBondContact OE1-CA 3.44Å; L332-G334 PolarHBondContact O-N 3.09Å
335G96.6Very high95.8Very high17 Ų1740.5 Ų40.518%0.17522%0.223CC..  trans-132.117.3-177.100000113.5G78 I337G78-G335 PolarHBondContact O-N 2.96Å; G335-I337 VanDerWaalsContact C-N 3.27Å; G335-I337 PolarHBondContact O-N 2.8Å
336N94.8Very high95.6Very high6 Ų639.6 Ų39.63%0.03220%0.202CC..  trans-89.460.7-172.4-70-29.5000112.2T77 N108 M135 R139 E305T77-N336 PolarHBondContact O-ND2 3.14Å; T77-N336 PolarHBondContact O-OD1 2.9Å; T77-N336 VanDerWaalsContact O-OD1 3.13Å; N108-N336 VanDerWaalsContact OD1-CB 3.23Å; N108-N336 WeakPolarHBondContact OD1-CB 3.3Å; N108-N336 PolarHBondContact OD1-ND2 3.39Å; M135-N336 HydrophobicContact CE-CB 4.4Å; M135-N336 WeakPolarHBondContact CE-O 3.34Å; R139-N336 PolarHBondContact NH1-OD1 2.92Å; E305-N336 PolarHBondContact OE2-N 3.36Å; E305-N336 VanDerWaalsContact OE2-N 3.15Å
337I92.7Very high95.2Very high18 Ų1838 Ų389%0.09220%0.197CC..  trans-99.2135.9175.4-169.7165000110.9V303 E305 G335 T341 L342 V345V303-I337 HydrophobicContact CG1-CG2 3.77Å; E305-I337 HydrophobicContact CB-CB 3.96Å; G335-I337 VanDerWaalsContact C-N 3.27Å; G335-I337 PolarHBondContact O-N 2.8Å; I337-T341 HydrophobicContact CD1-CG2 4.07Å; I337-T341 HydrophobicContact CG1-CG2 4.1Å; I337-L342 HydrophobicContact CD1-CB 4.04Å; I337-L342 HydrophobicContact CD1-CD1 4.15Å; I337-L342 HydrophobicContact CG1-CB 4.12Å; I337-L342 HydrophobicContact CG2-CB 4.21Å; I337-L342 HydrophobicContact CG2-CD1 4.25Å; I337-L342 HydrophobicContact CG2-CD2 4.49Å; I337-V345 HydrophobicContact CD1-CG2 4.47Å
338D90.4Very high94.9Very high40 Ų4039.3 Ų39.321%0.21420%0.203CC..  trans-73.7147.8173.368.2-89.5000110.8S340 T341 L342D338-S340 VanDerWaalsContact C-N 3.25Å; D338-S340 PolarHBondContact O-N 2.88Å; D338-S340 PolarHBondContact OD2-N 2.8Å; D338-S340 PolarHBondContact OD2-OG 2.7Å; D338-T341 VanDerWaalsContact CG-CB 3.49Å; D338-T341 PolarHBondContact O-N 3.37Å; D338-T341 VanDerWaalsContact O-N 3.14Å; D338-T341 WeakPolarHBondContact OD1-CB 3.39Å; D338-T341 PolarHBondContact OD1-OG1 3.09Å; D338-T341 WeakPolarHBondContact OD2-CB 3.45Å; D338-T341 PolarHBondContact OD2-N 3.41Å; D338-T341 PolarHBondContact OD2-OG1 3.37Å; D338-L342 PolarHBondContact O-N 2.85Å
339I91.1Very high94.6Very high136 Ų13639.3 Ų39.370%0.69720%0.203SC*.Hα-helixtrans-60.6-35.3-173.2-58.3-58.5000112.2L342 N343I339-L342 PolarHBondContact O-N 3.38Å; I339-N343 PolarHBondContact O-N 3.31Å
340S91Very high94.1Very high82 Ų8240.5 Ų40.557%0.57321%0.209SC*.Hα-helixtrans-65.7-44176.433.40000112.6D338 N343 R344D338-S340 VanDerWaalsContact C-N 3.25Å; D338-S340 PolarHBondContact O-N 2.88Å; D338-S340 PolarHBondContact OD2-N 2.8Å; D338-S340 PolarHBondContact OD2-OG 2.7Å; S340-N343 PolarHBondContact O-N 3.18Å; S340-R344 WeakPolarHBondContact O-CG 3.5Å; S340-R344 PolarHBondContact O-N 2.93Å
341T91.3Very high93.6Very high47 Ų4741.8 Ų41.829%0.28822%0.22SC..Hα-helixtrans-66.9-42.5175.3-620000110.4I337 D338 N343 R344 V345I337-T341 HydrophobicContact CD1-CG2 4.07Å; I337-T341 HydrophobicContact CG1-CG2 4.1Å; D338-T341 VanDerWaalsContact CG-CB 3.49Å; D338-T341 PolarHBondContact O-N 3.37Å; D338-T341 VanDerWaalsContact O-N 3.14Å; D338-T341 WeakPolarHBondContact OD1-CB 3.39Å; D338-T341 PolarHBondContact OD1-OG1 3.09Å; D338-T341 WeakPolarHBondContact OD2-CB 3.45Å; D338-T341 PolarHBondContact OD2-N 3.41Å; D338-T341 PolarHBondContact OD2-OG1 3.37Å; T341-N343 VanDerWaalsContact C-N 3.32Å; T341-N343 PolarHBondContact O-N 3.48Å; T341-R344 PolarHBondContact O-N 3.21Å; T341-R344 VanDerWaalsContact O-N 3.17Å; T341-V345 HydrophobicContact CG2-CG2 4.28Å; T341-V345 WeakPolarHBondContact O-CG2 3.43Å; T341-V345 PolarHBondContact O-N 2.84Å
342L94.9Very high93Very high18 Ų1843.2 Ų43.29%0.09423%0.227CC..Hα-helixtrans-56.8-46.2176-179.162.1000111.3V293 L297 V303 I337 D338 I339 R344 V345 I346V293-L342 HydrophobicContact CG1-CD1 4.05Å; L297-L342 HydrophobicContact CD1-CD1 4.27Å; V303-L342 HydrophobicContact CG1-CD2 4.01Å; I337-L342 HydrophobicContact CD1-CB 4.04Å; I337-L342 HydrophobicContact CD1-CD1 4.15Å; I337-L342 HydrophobicContact CG1-CB 4.12Å; I337-L342 HydrophobicContact CG2-CB 4.21Å; I337-L342 HydrophobicContact CG2-CD1 4.25Å; I337-L342 HydrophobicContact CG2-CD2 4.49Å; D338-L342 PolarHBondContact O-N 2.85Å; I339-L342 PolarHBondContact O-N 3.38Å; L342-R344 PolarHBondContact O-N 3.33Å; L342-V345 PolarHBondContact O-N 2.95Å; L342-I346 HydrophobicContact CD1-CD1 4.16Å; L342-I346 HydrophobicContact CD1-CG1 4.34Å; L342-I346 HydrophobicContact CG-CD1 3.9Å; L342-I346 HydrophobicContact CG-CG1 4.5Å; L342-I346 VanDerWaalsContact O-CG1 3.31Å; L342-I346 WeakPolarHBondContact O-CG1 3.44Å; L342-I346 PolarHBondContact O-N 3.5Å
343N94.4Very high92.3Very high90 Ų9045.8 Ų45.848%0.48124%0.239SC..Hα-helixtrans-59.4-44.8177.2-172.257.8000112.2I339 S340 T341 V345 I346 D347I339-N343 PolarHBondContact O-N 3.31Å; S340-N343 PolarHBondContact O-N 3.18Å; T341-N343 VanDerWaalsContact C-N 3.32Å; T341-N343 PolarHBondContact O-N 3.48Å; N343-V345 VanDerWaalsContact C-N 3.32Å; N343-V345 PolarHBondContact O-N 3.28Å; N343-I346 PolarHBondContact O-N 2.93Å; N343-D347 PolarHBondContact O-N 3.04Å
344R93.5Very high91.6Very high190 Ų19046 Ų4672%0.71724%0.241SC*.Hα-helixtrans-63.5-37.7177.3-68.6175.168.8179.62.1112.4S340 T341 L342 K348S340-R344 WeakPolarHBondContact O-CG 3.5Å; S340-R344 PolarHBondContact O-N 2.93Å; T341-R344 PolarHBondContact O-N 3.21Å; T341-R344 VanDerWaalsContact O-N 3.17Å; L342-R344 PolarHBondContact O-N 3.33Å; R344-K348 WeakPolarHBondContact O-CB 3.33Å; R344-K348 PolarHBondContact O-N 3.48Å
345V95Very high91.1Very high5 Ų548.3 Ų48.33%0.0325%0.252CS..Hα-helixtrans-67.5-42.9176.6170.10000110.6Y290 V293 I337 T341 L342 N343 K348 G349Y290-V345 HydrophobicContact CD1-CG1 4.03Å; Y290-V345 HydrophobicContact CD1-CG2 4.17Å; Y290-V345 HydrophobicContact CE1-CG2 4.47Å; V293-V345 HydrophobicContact CB-CG1 3.75Å; V293-V345 HydrophobicContact CG1-CG1 3.74Å; V293-V345 HydrophobicContact CG2-CG1 4.06Å; I337-V345 HydrophobicContact CD1-CG2 4.47Å; T341-V345 HydrophobicContact CG2-CG2 4.28Å; T341-V345 WeakPolarHBondContact O-CG2 3.43Å; T341-V345 PolarHBondContact O-N 2.84Å; L342-V345 PolarHBondContact O-N 2.95Å; N343-V345 VanDerWaalsContact C-N 3.32Å; N343-V345 PolarHBondContact O-N 3.28Å; V345-K348 PolarHBondContact O-N 2.8Å; V345-G349 PolarHBondContact O-N 2.94Å
346I94.1Very high90.7Very high47 Ų4748.1 Ų48.124%0.24125%0.247CC..Hα-helixtrans-60.7-51.5175.6-69.1165.9000110.3L297 L342 N343 K348 G349 L350L297-I346 HydrophobicContact CD1-CD1 3.7Å; L297-I346 HydrophobicContact CD1-CG1 3.69Å; L342-I346 HydrophobicContact CD1-CD1 4.16Å; L342-I346 HydrophobicContact CD1-CG1 4.34Å; L342-I346 HydrophobicContact CG-CD1 3.9Å; L342-I346 HydrophobicContact CG-CG1 4.5Å; L342-I346 VanDerWaalsContact O-CG1 3.31Å; L342-I346 WeakPolarHBondContact O-CG1 3.44Å; L342-I346 PolarHBondContact O-N 3.5Å; N343-I346 PolarHBondContact O-N 2.93Å; I346-K348 VanDerWaalsContact C-N 3.27Å; I346-K348 PolarHBondContact O-N 3.32Å; I346-G349 PolarHBondContact O-N 3.26Å; I346-L350 HydrophobicContact CG2-CD1 3.72Å; I346-L350 HydrophobicContact CG2-CG 4.16Å; I346-L350 WeakPolarHBondContact O-CB 3.43Å; I346-L350 WeakPolarHBondContact O-CG 3.36Å; I346-L350 PolarHBondContact O-N 3.13Å
347D91.1Very high90.4Very high52 Ų5248 Ų4828%0.27825%0.246SC..Hα-helixtrans-56.8-42.6179-78.8-29.3000111.6N343 A351 K385N343-D347 PolarHBondContact O-N 3.04Å; D347-A351 WeakPolarHBondContact O-CB 3.2Å; D347-A351 PolarHBondContact O-N 3.07Å; D347-K385 IonicContact OD1-NZ 2.63Å; D347-K385 PolarHBondContact OD1-NZ 2.94Å
348K91.5Very high90.4Very high75 Ų7551.7 Ų51.733%0.32626%0.259SS..Hα-helixtrans-70.6-40.4178.8-164.6162.4-179.9-1750112.2Y290 R344 V345 I346 A351 L352Y290-K348 HydrophobicContact CD2-CB 4.36Å; Y290-K348 HydrophobicContact CD2-CD 3.69Å; Y290-K348 HydrophobicContact CD2-CG 3.77Å; Y290-K348 HydrophobicContact CE2-CD 3.45Å; Y290-K348 VanDerWaalsContact CE2-CD 3.45Å; Y290-K348 HydrophobicContact CE2-CG 4.08Å; Y290-K348 HydrophobicContact CG-CD 4.48Å; Y290-K348 HydrophobicContact CG-CG 4.42Å; R344-K348 WeakPolarHBondContact O-CB 3.33Å; R344-K348 PolarHBondContact O-N 3.48Å; V345-K348 PolarHBondContact O-N 2.8Å; I346-K348 VanDerWaalsContact C-N 3.27Å; I346-K348 PolarHBondContact O-N 3.32Å; K348-A351 PolarHBondContact O-N 2.85Å; K348-L352 HydrophobicContact CG-CD1 4.22Å; K348-L352 WeakPolarHBondContact O-CB 3.43Å; K348-L352 WeakPolarHBondContact O-CD1 3.32Å; K348-L352 WeakPolarHBondContact O-CG 3.5Å; K348-L352 PolarHBondContact O-N 2.94Å
349G92.1Very high90.4Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-62.9-48175.500000112.1V345 I346 A351 L352 E353V345-G349 PolarHBondContact O-N 2.94Å; I346-G349 PolarHBondContact O-N 3.26Å; G349-A351 VanDerWaalsContact C-N 3.33Å; G349-A351 PolarHBondContact O-N 3.44Å; G349-L352 PolarHBondContact O-N 3Å; G349-L352 VanDerWaalsContact O-N 3.09Å; G349-E353 WeakPolarHBondContact O-CG 3.31Å; G349-E353 PolarHBondContact O-N 3.49Å
350L89.1Confident90.5Very high26 Ų2644.8 Ų44.814%0.13622%0.223CC..Hα-helixtrans-60.9-39.7176.2-70.1174.7000112.3V294 I346 L352 E353 G354 H355 L356V294-L350 HydrophobicContact CG1-CD2 4.23Å; I346-L350 HydrophobicContact CG2-CD1 3.72Å; I346-L350 HydrophobicContact CG2-CG 4.16Å; I346-L350 WeakPolarHBondContact O-CB 3.43Å; I346-L350 WeakPolarHBondContact O-CG 3.36Å; I346-L350 PolarHBondContact O-N 3.13Å; L350-L352 VanDerWaalsContact C-N 3.32Å; L350-L352 PolarHBondContact O-N 3.17Å; L350-E353 PolarHBondContact O-N 3.29Å; L350-G354 PolarHBondContact O-N 3.02Å; L350-H355 HydrophobicContact CB-CB 4.18Å; L350-H355 HydrophobicContact CD2-CB 3.87Å; L350-H355 PolarHBondContact O-N 3.49Å; L350-L356 HydrophobicContact CB-CD1 3.63Å; L350-L356 HydrophobicContact CB-CG 3.87Å; L350-L356 HydrophobicContact CD1-CD1 4.12Å; L350-L356 PolarHBondContact O-N 3.12Å
351A87.9Confident90.6Very high27 Ų2740.9 Ų40.922%0.22320%0.196CC..Hα-helixtrans-63.7-38.1174.300000112.4D347 K348 G349 G354 L356D347-A351 WeakPolarHBondContact O-CB 3.2Å; D347-A351 PolarHBondContact O-N 3.07Å; K348-A351 PolarHBondContact O-N 2.85Å; G349-A351 VanDerWaalsContact C-N 3.33Å; G349-A351 PolarHBondContact O-N 3.44Å; A351-G354 PolarHBondContact O-N 3.37Å; A351-L356 HydrophobicContact CB-CB 4.28Å
352L87.4Confident90.6Very high30 Ų3039.9 Ų39.916%0.15719%0.19CC..Hα-helixtrans-74.8-26.7179-71.5166.4000113.5T287 Y290 R291 K348 G349 L350 G354T287-L352 HydrophobicContact CG2-CD1 3.86Å; T287-L352 HydrophobicContact CG2-CD2 4Å; Y290-L352 HydrophobicContact CD2-CD1 3.92Å; R291-L352 HydrophobicContact CG-CB 4.16Å; R291-L352 PolarHBondContact NH2-O 3.26Å; K348-L352 HydrophobicContact CG-CD1 4.22Å; K348-L352 WeakPolarHBondContact O-CB 3.43Å; K348-L352 WeakPolarHBondContact O-CD1 3.32Å; K348-L352 WeakPolarHBondContact O-CG 3.5Å; K348-L352 PolarHBondContact O-N 2.94Å; G349-L352 PolarHBondContact O-N 3Å; G349-L352 VanDerWaalsContact O-N 3.09Å; L350-L352 VanDerWaalsContact C-N 3.32Å; L350-L352 PolarHBondContact O-N 3.17Å; L352-G354 VanDerWaalsContact C-N 3.3Å
353E83.1Confident90.5Very high54 Ų5439.2 Ų39.225%0.25219%0.186SC..THydrogen-bonded Turntrans-85.2-2.9174.4-68.5-61.2148.600112.8R291 G349 L350 H355R291-E353 WeakPolarHBondContact CB-OE1 3.33Å; R291-E353 WeakPolarHBondContact CD-OE1 3.41Å; R291-E353 HydrophobicContact CG-CG 4.24Å; R291-E353 WeakPolarHBondContact CG-OE1 3.49Å; R291-E353 IonicContact NE-OE1 3.6Å; R291-E353 PolarHBondContact NE-OE1 3.47Å; G349-E353 WeakPolarHBondContact O-CG 3.31Å; G349-E353 PolarHBondContact O-N 3.49Å; L350-E353 PolarHBondContact O-N 3.29Å; E353-H355 VanDerWaalsContact C-N 3.32Å
354G84.3Confident90.3Very high5 Ų539.4 Ų39.45%0.05219%0.187CC..THydrogen-bonded Turntrans77.117.4-178.300000114.1L350 A351 L352 I415L350-G354 PolarHBondContact O-N 3.02Å; A351-G354 PolarHBondContact O-N 3.37Å; L352-G354 VanDerWaalsContact C-N 3.3Å; G354-I415 WeakPolarHBondContact O-CD1 3.16Å
355H86.4Confident90.1Very high50 Ų5033.1 Ų33.123%0.23117%0.168CC..SBendtrans-85.5-17.8172.5-64.6-50.8000113.1L350 E353 E408 I409 Q410L350-H355 HydrophobicContact CB-CB 4.18Å; L350-H355 HydrophobicContact CD2-CB 3.87Å; L350-H355 PolarHBondContact O-N 3.49Å; E353-H355 VanDerWaalsContact C-N 3.32Å; H355-E408 CarbonylContact O-C 3.54Å; H355-E408 VanDerWaalsContact O-CA 3.29Å; H355-E408 WeakPolarHBondContact O-CA 3.2Å; H355-I409 WeakPolarHBondContact CA-O 3.41Å; H355-I409 PolarHBondContact O-N 2.86Å; H355-Q410 PolarHBondContact CE1-O 2.73Å; H355-Q410 VanDerWaalsContact CE1-O 3.3Å; H355-Q410 PolarHBondContact ND1-O 3.01Å; H355-Q410 VanDerWaalsContact ND1-O 3.09Å
356L88.6Confident89.9Confident13 Ų1340.8 Ų40.87%0.06820%0.196CC..EExtended strand (participates in β ladder)trans-122.5132.2171-70.1169.9000110.2L350 A351 K385 C407 E408 Q433L350-L356 HydrophobicContact CB-CD1 3.63Å; L350-L356 HydrophobicContact CB-CG 3.87Å; L350-L356 HydrophobicContact CD1-CD1 4.12Å; L350-L356 PolarHBondContact O-N 3.12Å; A351-L356 HydrophobicContact CB-CB 4.28Å; L356-K385 HydrophobicContact CD2-CD 3.97Å; L356-C407 WeakPolarHBondContact CA-O 3.3Å; L356-E408 HydrophobicContact CD2-CB 4.08Å; L356-E408 HydrophobicContact CD2-CG 4.44Å; L356-Q433 PolarHBondContact O-NE2 3.19Å; L356-Q433 VanDerWaalsContact O-NE2 3.12Å
357C89.1Confident89.6Confident3 Ų343.3 Ų43.32%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-121.1153168.380.10000110.9T406 C407 I409 I415 W431C357-T406 WeakPolarHBondContact O-CA 3.42Å; C357-C407 PolarHBondContact N-O 3.22Å; C357-C407 PolarHBondContact O-N 2.99Å; C357-I409 HydrophobicContact CB-CD1 4.1Å; C357-I409 WeakPolarHBondContact SG-CD1 3.2Å; C357-I415 HydrophobicContact CB-CD1 4.39Å; C357-I415 HydrophobicContact CB-CG1 4.2Å; C357-W431 HydrophobicContact CB-CZ2 3.79Å
358R91.5Very high89.8Confident96 Ų9647 Ų4736%0.36223%0.231SC..EExtended strand (participates in β ladder)trans-133.4132.7173.1-171.9-178.584.5-173.5-0.4109.2C405 C432R358-C405 WeakPolarHBondContact CA-O 3.32Å; R358-C432 HydrophobicContact CB-CB 4.04Å; R358-C432 HydrophobicContact CG-CB 4.27Å; R358-C432 PolarHBondContact NE-SG 3.34Å; R358-C432 VanDerWaalsContact NE-SG 3.35Å; R358-C432 VanDerWaalsContact O-CB 3.29Å; R358-C432 WeakPolarHBondContact O-CB 3.48Å; R358-C432 PolarHBondContact O-N 3.05Å
359F92.2Very high89.8Confident0 Ų044.1 Ų44.10%022%0.221CC..EExtended strand (participates in β ladder)trans-143.3163.617863.3-95.6000110.9V361 L373 L377 C405 L418 L422 I430 W431F359-V361 HydrophobicContact CD2-CG1 3.86Å; F359-V361 HydrophobicContact CE2-CG1 4.07Å; F359-V361 HydrophobicContact CE2-CG2 4.39Å; F359-L373 HydrophobicContact CE2-CD1 4.31Å; F359-L377 HydrophobicContact CE1-CD2 3.98Å; F359-L377 HydrophobicContact CZ-CD1 4.28Å; F359-L377 HydrophobicContact CZ-CD2 3.72Å; F359-C405 HydrophobicContact CD2-CB 4.35Å; F359-C405 HydrophobicContact CE1-CB 4.06Å; F359-C405 HydrophobicContact CE2-CB 3.71Å; F359-C405 HydrophobicContact CZ-CB 3.52Å; F359-C405 PolarHBondContact N-O 3.24Å; F359-C405 PolarHBondContact O-N 2.84Å; F359-L418 HydrophobicContact CD1-CD2 4.42Å; F359-L418 HydrophobicContact CE1-CD2 3.91Å; F359-L422 HydrophobicContact CD1-CD1 4.14Å; F359-L422 HydrophobicContact CD2-CD1 3.83Å; F359-L422 HydrophobicContact CE1-CD1 4.05Å; F359-L422 HydrophobicContact CE2-CD1 3.71Å; F359-L422 HydrophobicContact CE2-CD2 4.49Å; F359-L422 HydrophobicContact CG-CD1 4.04Å; F359-L422 HydrophobicContact CZ-CD1 3.84Å; F359-I430 CarbonylContact C-O 3.52Å; F359-I430 VanDerWaalsContact CA-O 3.23Å; F359-I430 WeakPolarHBondContact CA-O 3.24Å; F359-W431 HydrophobicContact CB-CD2 4.11Å; F359-W431 HydrophobicContact CB-CE3 3.37Å; F359-W431 HydrophobicContact CB-CH2 4.16Å; F359-W431 HydrophobicContact CB-CZ3 3.4Å; F359-W431 VanDerWaalsContact CB-CZ3 3.4Å; F359-W431 HydrophobicContact CD1-CE3 4.41Å; F359-W431 AromaticContact CD1-CH2 3.64Å; F359-W431 HydrophobicContact CD1-CH2 3.64Å; F359-W431 HydrophobicContact CD1-CZ2 4.5Å; F359-W431 AromaticContact CD1-CZ3 3.59Å; F359-W431 HydrophobicContact CD1-CZ3 3.59Å; F359-W431 HydrophobicContact CE1-CH2 4.43Å; F359-W431 HydrophobicContact CG-CE3 4.11Å; F359-W431 HydrophobicContact CG-CH2 4.15Å; F359-W431 AromaticContact CG-CZ3 3.59Å; F359-W431 HydrophobicContact CG-CZ3 3.59Å
360I92.7Very high89.8Confident31 Ų3146.3 Ų46.316%0.15923%0.232CC..EExtended strand (participates in β ladder)trans-127.4128.5175.6-52.9171000108.4Q402 V403 K404 V429 I430I360-Q402 HydrophobicContact CG2-CG 3.2Å; I360-V403 WeakPolarHBondContact CA-O 3.43Å; I360-K404 HydrophobicContact CG1-CB 4.11Å; I360-K404 HydrophobicContact CG1-CG 4.09Å; I360-V429 CarbonylContact O-C 3.56Å; I360-V429 WeakPolarHBondContact O-CA 3.4Å; I360-I430 HydrophobicContact CB-CB 4.28Å; I360-I430 PolarHBondContact N-O 3.44Å; I360-I430 PolarHBondContact O-N 3.26Å
361V92.6Very high90Very high0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans-121.3145.3175-66.40000110.9F359 L363 L373 V403 L422 Y426 H428 V429F359-V361 HydrophobicContact CD2-CG1 3.86Å; F359-V361 HydrophobicContact CE2-CG1 4.07Å; F359-V361 HydrophobicContact CE2-CG2 4.39Å; V361-L363 HydrophobicContact CB-CD2 4.28Å; V361-L363 HydrophobicContact CG2-CD1 4.49Å; V361-L363 HydrophobicContact CG2-CD2 3.82Å; V361-L363 HydrophobicContact CG2-CG 4.11Å; V361-L373 HydrophobicContact CG2-CD1 4.22Å; V361-L373 HydrophobicContact CG2-CD2 3.76Å; V361-V403 HydrophobicContact CG2-CB 4.1Å; V361-V403 PolarHBondContact N-O 2.9Å; V361-V403 PolarHBondContact O-N 3.46Å; V361-L422 HydrophobicContact CG1-CD2 4.33Å; V361-Y426 HydrophobicContact CB-CD2 4.43Å; V361-Y426 HydrophobicContact CG1-CD2 4.14Å; V361-H428 WeakPolarHBondContact CA-O 3.47Å; V361-V429 HydrophobicContact CG1-CB 4.43Å; V361-V429 HydrophobicContact CG1-CG1 4.12Å; V361-V429 HydrophobicContact CG1-CG2 4.01Å
362V91.3Very high90.4Very high25 Ų2550.6 Ų50.615%0.15225%0.254CS..EExtended strand (participates in β ladder)trans-100.4122.5171.3-176.60000109.1Q400 H428V362-Q400 HydrophobicContact CG1-CB 3.83Å; V362-Q400 HydrophobicContact CG1-CG 4.29Å; V362-H428 HydrophobicContact CB-CB 4.01Å; V362-H428 HydrophobicContact CG2-CB 3.86Å; V362-H428 PolarHBondContact N-O 3.31Å; V362-H428 VanDerWaalsContact N-O 3.16Å
363L92.2Very high90.7Very high4 Ų449.2 Ų49.22%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-114.9162.2-177.7-50.3180000110.2V361 I370 L373 Q400 V401 V403 Y426V361-L363 HydrophobicContact CB-CD2 4.28Å; V361-L363 HydrophobicContact CG2-CD1 4.49Å; V361-L363 HydrophobicContact CG2-CD2 3.82Å; V361-L363 HydrophobicContact CG2-CG 4.11Å; L363-I370 HydrophobicContact CD1-CG1 4.05Å; L363-L373 HydrophobicContact CD1-CB 4.39Å; L363-L373 HydrophobicContact CD1-CD2 4.16Å; L363-Q400 CarbonylContact O-C 3.53Å; L363-Q400 WeakPolarHBondContact O-CA 3.19Å; L363-Q400 WeakPolarHBondContact O-CB 3.29Å; L363-V401 HydrophobicContact CB-CG1 4.07Å; L363-V401 PolarHBondContact N-O 3.02Å; L363-V401 PolarHBondContact O-N 2.89Å; L363-V403 HydrophobicContact CD1-CB 4.21Å; L363-V403 HydrophobicContact CD1-CG2 3.56Å; L363-V403 HydrophobicContact CG-CG2 4.1Å; L363-Y426 HydrophobicContact CD2-CD1 3.6Å; L363-Y426 HydrophobicContact CD2-CD2 4.5Å; L363-Y426 HydrophobicContact CD2-CE1 3.22Å; L363-Y426 HydrophobicContact CD2-CE2 4.17Å; L363-Y426 HydrophobicContact CD2-CG 4.24Å
364N90.9Very high91.3Very high95 Ų9548.9 Ų48.951%0.50825%0.25SC..EExtended strand (participates in β ladder)trans-68136.3162.4-66.9-36.6000108.8R366 S369N364-R366 PolarHBondContact O-N 2.82Å; N364-S369 VanDerWaalsContact O-CB 3.24Å; N364-S369 WeakPolarHBondContact O-CB 3.4Å; N364-S369 PolarHBondContact O-OG 2.93Å
365D89.8Confident91.9Very high57 Ų5753.7 Ų53.731%0.30527%0.274SS..SBendtrans-75.175-177.2-167.917.4000111.4R391 L399 V401D365-R391 IonicContact OD1-CZ 3.21Å; D365-R391 IonicContact OD1-NE 2.7Å; D365-R391 PolarHBondContact OD1-NE 3.13Å; D365-R391 IonicContact OD1-NH2 3.89Å; D365-R391 PolarHBondContact OD1-NH2 2.88Å; D365-R391 WeakPolarHBondContact OD2-CD 3.36Å; D365-R391 IonicContact OD2-CZ 3.63Å; D365-R391 IonicContact OD2-NE 3.86Å; D365-R391 PolarHBondContact OD2-NE 2.84Å; D365-R391 IonicContact OD2-NH2 3.21Å; D365-L399 PolarHBondContact N-O 3.5Å; D365-V401 HydrophobicContact CB-CB 4.14Å; D365-V401 HydrophobicContact CB-CG1 4.22Å
366R89.6Confident92.2Very high167 Ų16752.6 Ų52.663%0.6327%0.27SS*.SBendtrans-145.4145176.9-57.9-173.7179.8168.9-0.1109.9N364 E368 S369N364-R366 PolarHBondContact O-N 2.82Å; R366-E368 VanDerWaalsContact CB-OE2 3.31Å; R366-E368 WeakPolarHBondContact CB-OE2 3.41Å; R366-E368 PolarHBondContact O-N 2.7Å; R366-E368 VanDerWaalsContact O-N 3.16Å; R366-S369 PolarHBondContact O-N 3.47Å; R366-S369 VanDerWaalsContact O-N 3.07Å
367P89.3Confident92.5Very high100 Ų10052 Ų5265%0.64927%0.267SS*.Hα-helixtrans-54.9-33.5-179.6-26.635.4000114.3S369 I370 S371P367-S369 VanDerWaalsContact C-N 3.3Å; P367-S369 PolarHBondContact O-N 2.95Å; P367-I370 PolarHBondContact O-N 3.18Å; P367-S371 PolarHBondContact O-N 3.49Å; P367-S371 VanDerWaalsContact O-N 3.09Å; P367-S371 PolarHBondContact O-OG 3.34Å
368E93.6Very high92.7Very high128 Ų12857.3 Ų57.360%0.59829%0.294SS*.Hα-helixtrans-63.2-36.3179.6-60.581.4-179.600111.8R366 I370 S371 E372R366-E368 VanDerWaalsContact CB-OE2 3.31Å; R366-E368 WeakPolarHBondContact CB-OE2 3.41Å; R366-E368 PolarHBondContact O-N 2.7Å; R366-E368 VanDerWaalsContact O-N 3.16Å; E368-I370 PolarHBondContact O-N 3.09Å; E368-S371 WeakPolarHBondContact O-CB 3.36Å; E368-S371 PolarHBondContact O-N 3.14Å; E368-E372 WeakPolarHBondContact O-CB 3.3Å; E368-E372 PolarHBondContact O-N 3.11Å
369S92.3Very high92.8Very high16 Ų1658.8 Ų58.811%0.11231%0.31CS..Hα-helixtrans-66.6-39.2-178.9-47.80000112.3N364 R366 P367 E372 L373N364-S369 VanDerWaalsContact O-CB 3.24Å; N364-S369 WeakPolarHBondContact O-CB 3.4Å; N364-S369 PolarHBondContact O-OG 2.93Å; R366-S369 PolarHBondContact O-N 3.47Å; R366-S369 VanDerWaalsContact O-N 3.07Å; P367-S369 VanDerWaalsContact C-N 3.3Å; P367-S369 PolarHBondContact O-N 2.95Å; S369-E372 PolarHBondContact O-N 2.94Å; S369-L373 PolarHBondContact O-N 3.47Å; S369-L373 VanDerWaalsContact O-N 3.09Å
370I92.1Very high92.7Very high45 Ų4560.8 Ų60.823%0.23132%0.32CS..Hα-helixtrans-69.9-39.7176-64176000109.5L363 P367 E368 E372 L373 C374L363-I370 HydrophobicContact CD1-CG1 4.05Å; P367-I370 PolarHBondContact O-N 3.18Å; E368-I370 PolarHBondContact O-N 3.09Å; I370-E372 VanDerWaalsContact C-N 3.3Å; I370-E372 PolarHBondContact O-N 2.91Å; I370-L373 WeakPolarHBondContact O-CB 3.23Å; I370-L373 PolarHBondContact O-N 3.25Å; I370-C374 PolarHBondContact O-N 3.36Å; I370-C374 PolarHBondContact O-SG 3.05Å; I370-C374 VanDerWaalsContact O-SG 3.33Å
371S94.3Very high92.5Very high68 Ų6862.1 Ų62.148%0.47634%0.341SS..Hα-helixtrans-60.1-42.2175.9-55.40000111.4P367 E368 C374 L375P367-S371 PolarHBondContact O-N 3.49Å; P367-S371 VanDerWaalsContact O-N 3.09Å; P367-S371 PolarHBondContact O-OG 3.34Å; E368-S371 WeakPolarHBondContact O-CB 3.36Å; E368-S371 PolarHBondContact O-N 3.14Å; S371-C374 PolarHBondContact O-N 3.33Å; S371-L375 WeakPolarHBondContact O-CG 3.26Å; S371-L375 PolarHBondContact O-N 2.9Å
372E94.9Very high92.5Very high76 Ų7662.6 Ų62.636%0.35535%0.345SS..Hα-helixtrans-64.6-40.4176-172172.2-137.200112.5E368 S369 I370 L375 I376 K425E368-E372 WeakPolarHBondContact O-CB 3.3Å; E368-E372 PolarHBondContact O-N 3.11Å; S369-E372 PolarHBondContact O-N 2.94Å; I370-E372 VanDerWaalsContact C-N 3.3Å; I370-E372 PolarHBondContact O-N 2.91Å; E372-L375 PolarHBondContact O-N 3.46Å; E372-I376 WeakPolarHBondContact O-CG1 3.27Å; E372-I376 PolarHBondContact O-N 3.31Å; E372-I376 VanDerWaalsContact O-N 3.07Å; E372-K425 WeakPolarHBondContact OE1-CE 3.35Å; E372-K425 IonicContact OE1-NZ 2.72Å; E372-K425 PolarHBondContact OE1-NZ 2.81Å; E372-K425 WeakPolarHBondContact OE2-CE 3.36Å; E372-K425 IonicContact OE2-NZ 2.69Å
373L95.3Very high92.6Very high0 Ų066.2 Ų66.20%036%0.364CS..Hα-helixtrans-60.4-45.3173175.863.8000111.3F359 V361 L363 S369 I370 L375 I376 L377 V403 L422 Y426F359-L373 HydrophobicContact CE2-CD1 4.31Å; V361-L373 HydrophobicContact CG2-CD1 4.22Å; V361-L373 HydrophobicContact CG2-CD2 3.76Å; L363-L373 HydrophobicContact CD1-CB 4.39Å; L363-L373 HydrophobicContact CD1-CD2 4.16Å; S369-L373 PolarHBondContact O-N 3.47Å; S369-L373 VanDerWaalsContact O-N 3.09Å; I370-L373 WeakPolarHBondContact O-CB 3.23Å; I370-L373 PolarHBondContact O-N 3.25Å; L373-L375 VanDerWaalsContact C-N 3.28Å; L373-L375 PolarHBondContact O-N 3.13Å; L373-I376 PolarHBondContact O-N 2.92Å; L373-L377 HydrophobicContact CD1-CD1 4.31Å; L373-L377 HydrophobicContact CD1-CG 4.43Å; L373-L377 HydrophobicContact CG-CD1 4.09Å; L373-L377 WeakPolarHBondContact O-CG 3.29Å; L373-L377 PolarHBondContact O-N 3.38Å; L373-V403 HydrophobicContact CD2-CB 4.41Å; L373-V403 HydrophobicContact CD2-CG1 3.91Å; L373-L422 HydrophobicContact CD1-CD2 3.49Å; L373-L422 VanDerWaalsContact CD1-CD2 3.49Å; L373-Y426 WeakPolarHBondContact CA-OH 3.42Å; L373-Y426 HydrophobicContact CD1-CE2 3.98Å; L373-Y426 PolarHBondContact N-OH 3.2Å
374C95Very high92.7Very high47 Ų4768.8 Ų68.832%0.31838%0.377SS..Hα-helixtrans-61.6-36.1177.6-67.50000112.2I370 S371 L377 N378I370-C374 PolarHBondContact O-N 3.36Å; I370-C374 PolarHBondContact O-SG 3.05Å; I370-C374 VanDerWaalsContact O-SG 3.33Å; S371-C374 PolarHBondContact O-N 3.33Å; C374-L377 PolarHBondContact O-N 3.4Å; C374-N378 WeakPolarHBondContact O-CB 3.43Å; C374-N378 PolarHBondContact O-N 3.47Å
375L95.5Very high92.7Very high107 Ų10769.3 Ų69.356%0.5638%0.375SS*.Hα-helixtrans-65-44.9174.9-71.6170.5000111.7S371 E372 L373 L377 N378 D379S371-L375 WeakPolarHBondContact O-CG 3.26Å; S371-L375 PolarHBondContact O-N 2.9Å; E372-L375 PolarHBondContact O-N 3.46Å; L373-L375 VanDerWaalsContact C-N 3.28Å; L373-L375 PolarHBondContact O-N 3.13Å; L375-L377 VanDerWaalsContact C-N 3.29Å; L375-L377 PolarHBondContact O-N 3.39Å; L375-N378 PolarHBondContact O-N 3.39Å; L375-D379 VanDerWaalsContact O-CG 3.26Å; L375-D379 PolarHBondContact O-N 2.81Å
376I94.5Very high92.9Very high27 Ų2770.5 Ų70.514%0.13838%0.381CS..Hα-helixtrans-58.4-43.7175.6-66.3166.5000110.8E372 L373 D379 I380 L418 A421 L422 K425 Y426E372-I376 WeakPolarHBondContact O-CG1 3.27Å; E372-I376 PolarHBondContact O-N 3.31Å; E372-I376 VanDerWaalsContact O-N 3.07Å; L373-I376 PolarHBondContact O-N 2.92Å; I376-D379 PolarHBondContact O-N 3.35Å; I376-I380 WeakPolarHBondContact O-CG1 3.45Å; I376-I380 PolarHBondContact O-N 3.42Å; I376-L418 HydrophobicContact CG2-CD1 4.39Å; I376-A421 HydrophobicContact CG2-CB 4Å; I376-L422 HydrophobicContact CG2-CD2 4.17Å; I376-K425 HydrophobicContact CD1-CB 4.16Å; I376-K425 HydrophobicContact CD1-CG 3.95Å; I376-Y426 HydrophobicContact CD1-CE2 3.91Å
377L93.7Very high93.1Very high1 Ų165.6 Ų65.61%0.00537%0.367CS..Hα-helixtrans-64.8-42.4178.6-67.4168.7000111.9F359 L373 C374 L375 I380 G381 A382 I384 L418F359-L377 HydrophobicContact CE1-CD2 3.98Å; F359-L377 HydrophobicContact CZ-CD1 4.28Å; F359-L377 HydrophobicContact CZ-CD2 3.72Å; L373-L377 HydrophobicContact CD1-CD1 4.31Å; L373-L377 HydrophobicContact CD1-CG 4.43Å; L373-L377 HydrophobicContact CG-CD1 4.09Å; L373-L377 WeakPolarHBondContact O-CG 3.29Å; L373-L377 PolarHBondContact O-N 3.38Å; C374-L377 PolarHBondContact O-N 3.4Å; L375-L377 VanDerWaalsContact C-N 3.29Å; L375-L377 PolarHBondContact O-N 3.39Å; L377-I380 PolarHBondContact O-N 3.13Å; L377-G381 PolarHBondContact O-N 2.93Å; L377-G381 VanDerWaalsContact O-N 3.17Å; L377-A382 HydrophobicContact CB-CB 4.36Å; L377-A382 HydrophobicContact CD2-CB 4.08Å; L377-A382 PolarHBondContact O-N 3.06Å; L377-I384 HydrophobicContact CD1-CD1 3.7Å; L377-I384 HydrophobicContact CD1-CG1 3.9Å; L377-L418 HydrophobicContact CD2-CD1 3.59Å; L377-L418 HydrophobicContact CD2-CD2 3.81Å; L377-L418 HydrophobicContact CD2-CG 4.34Å
378N93.6Very high93.3Very high113 Ų11363.1 Ų63.160%0.60435%0.352SS*.Hα-helixtrans-62-42175.5178.180.8000112.3C374 L375 I380 G381C374-N378 WeakPolarHBondContact O-CB 3.43Å; C374-N378 PolarHBondContact O-N 3.47Å; L375-N378 PolarHBondContact O-N 3.39Å; N378-I380 VanDerWaalsContact C-N 3.28Å; N378-I380 PolarHBondContact O-N 3.27Å; N378-G381 PolarHBondContact O-N 3.19Å
379D93Very high93.1Very high128 Ų12862 Ų6268%0.68435%0.346SS*.Hα-helixtrans-65.4-31.7-178.8-70.8-11.6000112.6L375 I376 G381L375-D379 VanDerWaalsContact O-CG 3.26Å; L375-D379 PolarHBondContact O-N 2.81Å; I376-D379 PolarHBondContact O-N 3.35Å; D379-G381 VanDerWaalsContact C-N 3.31Å
380I90.7Very high92.7Very high42 Ų4265.3 Ų65.322%0.21536%0.36CS..Hα-helixtrans-79.5-15.1172.5-60-65.9000112.1I376 L377 N378 D417 L418 A421I376-I380 WeakPolarHBondContact O-CG1 3.45Å; I376-I380 PolarHBondContact O-N 3.42Å; L377-I380 PolarHBondContact O-N 3.13Å; N378-I380 VanDerWaalsContact C-N 3.28Å; N378-I380 PolarHBondContact O-N 3.27Å; I380-D417 HydrophobicContact CD1-CB 4.13Å; I380-L418 HydrophobicContact CB-CD1 4.5Å; I380-L418 HydrophobicContact CG1-CD1 4.1Å; I380-L418 HydrophobicContact CG2-CB 4.11Å; I380-A421 HydrophobicContact CD1-CB 4.46Å
381G89.4Confident92.2Very high59 Ų5968.9 Ų68.961%0.60837%0.371SS*.THydrogen-bonded Turntrans78.221.9-173.200000113.8L377 N378 D379L377-G381 PolarHBondContact O-N 2.93Å; L377-G381 VanDerWaalsContact O-N 3.17Å; N378-G381 PolarHBondContact O-N 3.19Å; D379-G381 VanDerWaalsContact C-N 3.31Å
382A92.2Very high91Very high10 Ų1072 Ų728%0.08338%0.381CS..  trans-78125.8176.200000110.7L377 C407 I409 L418L377-A382 HydrophobicContact CB-CB 4.36Å; L377-A382 HydrophobicContact CD2-CB 4.08Å; L377-A382 PolarHBondContact O-N 3.06Å; A382-C407 HydrophobicContact CB-CB 4.17Å; A382-I409 HydrophobicContact CB-CD1 4.36Å; A382-I409 HydrophobicContact CB-CG1 4.09Å; A382-L418 HydrophobicContact CB-CD2 4.33Å
383N93.3Very high89.6Confident101 Ų10177.7 Ų77.754%0.5440%0.399SS..EExtended strand (participates in β ladder)trans-89.1123.8176.4-175.532.2000110.2K385 C407 E408N383-K385 PolarHBondContact O-N 3.27Å; N383-C407 CarbonylContact O-C 3.55Å; N383-C407 VanDerWaalsContact O-CA 3.26Å; N383-C407 WeakPolarHBondContact O-CA 3.21Å; N383-E408 HydrophobicContact CB-CB 4.34Å; N383-E408 PolarHBondContact N-O 3.42Å; N383-E408 PolarHBondContact O-N 3.38Å
384I94.1Very high88.1Confident57 Ų5778.6 Ų78.629%0.29241%0.405SS..EExtended strand (participates in β ladder)trans-77.9113.2-176.9-58.1176.1000109.3L377 I387L377-I384 HydrophobicContact CD1-CD1 3.7Å; L377-I384 HydrophobicContact CD1-CG1 3.9Å; I384-I387 HydrophobicContact CG2-CB 3.99Å; I384-I387 HydrophobicContact CG2-CG2 4.19Å
385K91.5Very high86.6Confident107 Ų10783.6 Ų83.647%0.46544%0.435SS..EExtended strand (participates in β ladder)trans-85.8-39.6174.8-171.8176.7179.9174.40111.6D347 L356 N383 T406D347-K385 IonicContact OD1-NZ 2.63Å; D347-K385 PolarHBondContact OD1-NZ 2.94Å; L356-K385 HydrophobicContact CD2-CD 3.97Å; N383-K385 PolarHBondContact O-N 3.27Å; K385-T406 WeakPolarHBondContact CB-O 3.44Å; K385-T406 PolarHBondContact N-O 3.31Å
386D93.9Very high85.2Confident82 Ų8279.8 Ų79.844%0.43942%0.417SS..EExtended strand (participates in β ladder)trans-150.1142.3177.7-177.142.2000110.8C405 T406D386-C405 WeakPolarHBondContact O-CA 3.49Å; D386-C405 PolarHBondContact O-SG 3.42Å; D386-T406 PolarHBondContact N-O 2.9Å; D386-T406 VanDerWaalsContact N-O 3.09Å; D386-T406 PolarHBondContact O-N 3.29Å
387I93.3Very high84.1Confident63 Ų6380.4 Ų80.432%0.32343%0.43SS..EExtended strand (participates in β ladder)trans-142.5116.8174.7-169.7170.3000109.4I384 V403I384-I387 HydrophobicContact CG2-CB 3.99Å; I384-I387 HydrophobicContact CG2-CG2 4.19Å; I387-V403 HydrophobicContact CD1-CG1 3.9Å; I387-V403 HydrophobicContact CG1-CG1 3.65Å
388S92.2Very high83.5Confident48 Ų4888.5 Ų88.534%0.33647%0.472SS..EExtended strand (participates in β ladder)trans-125.5137.1-179.669.30000110V403 K404S388-V403 WeakPolarHBondContact O-CA 3.22Å; S388-K404 PolarHBondContact N-O 3.27Å; S388-K404 PolarHBondContact O-N 3.43Å
389H89.4Confident83.1Confident105 Ų10589.5 Ų89.549%0.48648%0.476SS..EExtended strand (participates in β ladder)trans-116.7133.3-179.954.5-96.5000110.9R391 V401 Q402 V403H389-R391 PolarHBondContact CD2-NH1 3.35Å; H389-V401 HydrophobicContact CB-CG2 3.8Å; H389-Q402 CarbonylContact C-O 3.59Å; H389-Q402 WeakPolarHBondContact CA-O 3.48Å; H389-V403 HydrophobicContact CB-CG2 4.21Å
390E84.6Confident82.9Confident86 Ų8686.6 Ų86.640%0.40246%0.458SS..EExtended strand (participates in β ladder)trans-127.9122.6-172.4-154.9166.9-155.300109.9W393 Q402E390-W393 HydrophobicContact CG-CE3 4.11Å; E390-Q402 PolarHBondContact N-O 3.03Å; E390-Q402 PolarHBondContact O-N 3.21Å
391R80.9Confident82.8Confident120 Ų12084.6 Ų84.645%0.45345%0.448SS..SBendtrans-108.2-40.6-178.2-64.6178.3177.8867.9112.5D365 H389 V401D365-R391 IonicContact OD1-CZ 3.21Å; D365-R391 IonicContact OD1-NE 2.7Å; D365-R391 PolarHBondContact OD1-NE 3.13Å; D365-R391 IonicContact OD1-NH2 3.89Å; D365-R391 PolarHBondContact OD1-NH2 2.88Å; D365-R391 WeakPolarHBondContact OD2-CD 3.36Å; D365-R391 IonicContact OD2-CZ 3.63Å; D365-R391 IonicContact OD2-NE 3.86Å; D365-R391 PolarHBondContact OD2-NE 2.84Å; D365-R391 IonicContact OD2-NH2 3.21Å; H389-R391 PolarHBondContact CD2-NH1 3.35Å; R391-V401 HydrophobicContact CG-CB 4.37Å; R391-V401 HydrophobicContact CG-CG2 3.88Å
392I68.9Low82.9Confident134 Ų13483.6 Ų83.669%0.68743%0.428SS*.SBendtrans-77.8-40.7-165.7-61.4173000111.8
393W66.9Low82.9Confident194 Ų19483.1 Ų83.174%0.73542%0.424SS*.SBendtrans-103.113.4-174.6-60.8-75.6000113.9E390E390-W393 HydrophobicContact CG-CE3 4.11Å
394S62.7Low82.9Confident19 Ų1982 Ų8213%0.13341%0.414CS..  trans-89.8140.9177.1112.20000110.4S396S394-S396 PolarHBondContact O-N 2.86Å; S394-S396 WeakPolarHBondContact OG-CB 3.46Å; S394-S396 PolarHBondContact OG-N 2.78Å; S394-S396 VanDerWaalsContact OG-N 3.1Å; S394-S396 PolarHBondContact OG-OG 2.99Å
395T64.5Low82.9Confident153 Ų15379.3 Ų79.394%0.93940%0.4SS*.SBendtrans-74.2-0.2171.2500000113.2
396S65.6Low83Confident26 Ų2675.6 Ų75.618%0.18239%0.387CS..SBendtrans-70.5158.5179.9-33.50000111.2S394S394-S396 PolarHBondContact O-N 2.86Å; S394-S396 WeakPolarHBondContact OG-CB 3.46Å; S394-S396 PolarHBondContact OG-N 2.78Å; S394-S396 VanDerWaalsContact OG-N 3.1Å; S394-S396 PolarHBondContact OG-OG 2.99Å
397G71.4Confident82.9Confident41 Ų4171.7 Ų71.742%0.42337%0.366SS..  trans-61.3159.1179.300000112.7L399 Q400G397-L399 PolarHBondContact O-N 2.87Å; G397-Q400 WeakPolarHBondContact O-CA 3.44Å; G397-Q400 WeakPolarHBondContact O-CB 3.32Å; G397-Q400 PolarHBondContact O-N 2.83Å
398I80.5Confident82.8Confident171 Ų17172.9 Ų72.988%0.87737%0.37SS*.THydrogen-bonded Turntrans-59-16.3-174.6-157.4162.8000115.2
399L85.7Confident82.6Confident134 Ų13471 Ų7170%0.70236%0.356SS*.THydrogen-bonded Turntrans-103.915.6177.1-60.2178.7000112.6D365 G397D365-L399 PolarHBondContact N-O 3.5Å; G397-L399 PolarHBondContact O-N 2.87Å
400Q88.5Confident82.2Confident66 Ų6672.7 Ų72.731%0.30836%0.364SS..EExtended strand (participates in β ladder)trans-120.4151.3-179.5-65.6-179.3-34.100110.6V362 L363 G397V362-Q400 HydrophobicContact CG1-CB 3.83Å; V362-Q400 HydrophobicContact CG1-CG 4.29Å; L363-Q400 CarbonylContact O-C 3.53Å; L363-Q400 WeakPolarHBondContact O-CA 3.19Å; L363-Q400 WeakPolarHBondContact O-CB 3.29Å; G397-Q400 WeakPolarHBondContact O-CA 3.44Å; G397-Q400 WeakPolarHBondContact O-CB 3.32Å; G397-Q400 PolarHBondContact O-N 2.83Å
401V89.5Confident82Confident0 Ų071.1 Ų71.10%036%0.359CS..EExtended strand (participates in β ladder)trans-129134.8177.262.50000109.2L363 D365 H389 R391 V403L363-V401 HydrophobicContact CB-CG1 4.07Å; L363-V401 PolarHBondContact N-O 3.02Å; L363-V401 PolarHBondContact O-N 2.89Å; D365-V401 HydrophobicContact CB-CB 4.14Å; D365-V401 HydrophobicContact CB-CG1 4.22Å; H389-V401 HydrophobicContact CB-CG2 3.8Å; R391-V401 HydrophobicContact CG-CB 4.37Å; R391-V401 HydrophobicContact CG-CG2 3.88Å; V401-V403 HydrophobicContact CG1-CG2 4.28Å
402Q91.2Very high81.8Confident38 Ų3869.6 Ų69.618%0.17836%0.363CS..EExtended strand (participates in β ladder)trans-88123.2173.3-170.4172.322.800108.4I360 H389 E390I360-Q402 HydrophobicContact CG2-CG 3.2Å; H389-Q402 CarbonylContact C-O 3.59Å; H389-Q402 WeakPolarHBondContact CA-O 3.48Å; E390-Q402 PolarHBondContact N-O 3.03Å; E390-Q402 PolarHBondContact O-N 3.21Å
403V92.7Very high82.5Confident1 Ų166.3 Ų66.31%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-112.4114.6178.3-178.40000108.5I360 V361 L363 L373 I387 S388 H389 V401I360-V403 WeakPolarHBondContact CA-O 3.43Å; V361-V403 HydrophobicContact CG2-CB 4.1Å; V361-V403 PolarHBondContact N-O 2.9Å; V361-V403 PolarHBondContact O-N 3.46Å; L363-V403 HydrophobicContact CD1-CB 4.21Å; L363-V403 HydrophobicContact CD1-CG2 3.56Å; L363-V403 HydrophobicContact CG-CG2 4.1Å; L373-V403 HydrophobicContact CD2-CB 4.41Å; L373-V403 HydrophobicContact CD2-CG1 3.91Å; I387-V403 HydrophobicContact CD1-CG1 3.9Å; I387-V403 HydrophobicContact CG1-CG1 3.65Å; S388-V403 WeakPolarHBondContact O-CA 3.22Å; H389-V403 HydrophobicContact CB-CG2 4.21Å; V401-V403 HydrophobicContact CG1-CG2 4.28Å
404K93.5Very high83.2Confident77 Ų7759.3 Ų59.334%0.33533%0.327SS..EExtended strand (participates in β ladder)trans-94126171.3176.8-178.3179.6-175.10108.2I360 S388I360-K404 HydrophobicContact CG1-CB 4.11Å; I360-K404 HydrophobicContact CG1-CG 4.09Å; S388-K404 PolarHBondContact N-O 3.27Å; S388-K404 PolarHBondContact O-N 3.43Å
405C93.7Very high84.2Confident0 Ų058.8 Ų58.80%032%0.323CS..EExtended strand (participates in β ladder)trans-127.6136.3-178.3-164.60000110.2R358 F359 D386 C407R358-C405 WeakPolarHBondContact CA-O 3.32Å; F359-C405 HydrophobicContact CD2-CB 4.35Å; F359-C405 HydrophobicContact CE1-CB 4.06Å; F359-C405 HydrophobicContact CE2-CB 3.71Å; F359-C405 HydrophobicContact CZ-CB 3.52Å; F359-C405 PolarHBondContact N-O 3.24Å; F359-C405 PolarHBondContact O-N 2.84Å; D386-C405 WeakPolarHBondContact O-CA 3.49Å; D386-C405 PolarHBondContact O-SG 3.42Å; C405-C407 PolarHBondContact SG-SG 3.07Å
406T92.8Very high85.3Confident29 Ų2955.4 Ų55.418%0.17830%0.302CS..EExtended strand (participates in β ladder)trans-114.3121.5169.6-530000107.3C357 K385 D386C357-T406 WeakPolarHBondContact O-CA 3.42Å; K385-T406 WeakPolarHBondContact CB-O 3.44Å; K385-T406 PolarHBondContact N-O 3.31Å; D386-T406 PolarHBondContact N-O 2.9Å; D386-T406 VanDerWaalsContact N-O 3.09Å; D386-T406 PolarHBondContact O-N 3.29Å
407C92.2Very high86.5Confident0 Ų058.4 Ų58.40%032%0.316CS..EExtended strand (participates in β ladder)trans-121146.3-177.9-61.70000110.6L356 C357 A382 N383 C405 I409L356-C407 WeakPolarHBondContact CA-O 3.3Å; C357-C407 PolarHBondContact N-O 3.22Å; C357-C407 PolarHBondContact O-N 2.99Å; A382-C407 HydrophobicContact CB-CB 4.17Å; N383-C407 CarbonylContact O-C 3.55Å; N383-C407 VanDerWaalsContact O-CA 3.26Å; N383-C407 WeakPolarHBondContact O-CA 3.21Å; C405-C407 PolarHBondContact SG-SG 3.07Å; C407-I409 HydrophobicContact CB-CG1 4.26Å
408E91.3Very high87.4Confident88 Ų8856.4 Ų56.441%0.41130%0.295SS..EExtended strand (participates in β ladder)trans-89.8133163.1-171.3175.5-162.700108.9H355 L356 N383H355-E408 CarbonylContact O-C 3.54Å; H355-E408 VanDerWaalsContact O-CA 3.29Å; H355-E408 WeakPolarHBondContact O-CA 3.2Å; L356-E408 HydrophobicContact CD2-CB 4.08Å; L356-E408 HydrophobicContact CD2-CG 4.44Å; N383-E408 HydrophobicContact CB-CB 4.34Å; N383-E408 PolarHBondContact N-O 3.42Å; N383-E408 PolarHBondContact O-N 3.38Å
409I87.8Confident87.9Confident9 Ų950.4 Ų50.45%0.04626%0.263CS..  trans-134.8149.4-173.1-61.7-171.9000108.7H355 C357 A382 C407 H414 I415 L418H355-I409 WeakPolarHBondContact CA-O 3.41Å; H355-I409 PolarHBondContact O-N 2.86Å; C357-I409 HydrophobicContact CB-CD1 4.1Å; C357-I409 WeakPolarHBondContact SG-CD1 3.2Å; A382-I409 HydrophobicContact CB-CD1 4.36Å; A382-I409 HydrophobicContact CB-CG1 4.09Å; C407-I409 HydrophobicContact CB-CG1 4.26Å; I409-H414 HydrophobicContact CG2-CB 3.28Å; I409-I415 HydrophobicContact CB-CG1 4.35Å; I409-I415 HydrophobicContact CD1-CG1 3.96Å; I409-I415 HydrophobicContact CG2-CG1 4.11Å; I409-L418 HydrophobicContact CD1-CD2 3.54Å
410Q81.5Confident88.2Confident141 Ų14150.2 Ų50.266%0.65926%0.259SS*.SBendtrans-66.1-47.5-175.6-178.3173.7-10.200113.1H355 H414H355-Q410 PolarHBondContact CE1-O 2.73Å; H355-Q410 VanDerWaalsContact CE1-O 3.3Å; H355-Q410 PolarHBondContact ND1-O 3.01Å; H355-Q410 VanDerWaalsContact ND1-O 3.09Å; Q410-H414 PolarHBondContact OE1-CE1 2.88Å
411D79.2Confident88.4Confident53 Ų5348.5 Ų48.528%0.28326%0.256SS..  trans-156.6176.7-178.959.949000112.9S413 H414 I415D411-S413 PolarHBondContact O-N 3.04Å; D411-S413 WeakPolarHBondContact OD1-CA 3.31Å; D411-S413 WeakPolarHBondContact OD1-CB 3.17Å; D411-S413 PolarHBondContact OD1-N 3.17Å; D411-S413 PolarHBondContact OD1-OG 3.09Å; D411-H414 PolarHBondContact O-N 2.92Å; D411-H414 IonicContact OD1-CE1 2.85Å; D411-H414 IonicContact OD1-CG 3.51Å; D411-H414 PolarHBondContact OD1-N 3.43Å; D411-H414 IonicContact OD1-ND1 2.64Å; D411-H414 PolarHBondContact OD1-ND1 3.05Å; D411-H414 IonicContact OD2-CE1 3.6Å; D411-H414 IonicContact OD2-ND1 3.49Å; D411-H414 PolarHBondContact OD2-ND1 3.01Å; D411-I415 PolarHBondContact O-N 3.46Å
412V78Confident88.6Confident88 Ų8848.5 Ų48.553%0.53326%0.256SS..Hα-helixtrans-62.5-27.2-179.4-179.20000113I415 T416V412-I415 WeakPolarHBondContact O-CB 3.46Å; V412-I415 PolarHBondContact O-N 3.45Å; V412-T416 PolarHBondContact O-N 3.21Å; V412-T416 PolarHBondContact O-OG1 3Å; V412-T416 VanDerWaalsContact O-OG1 3.11Å
413S82.6Confident88.7Confident65 Ų6552.3 Ų52.346%0.45527%0.272SS..Hα-helixtrans-69.5-43.6178.175.30000110.8D411 I415 T416 D417D411-S413 PolarHBondContact O-N 3.04Å; D411-S413 WeakPolarHBondContact OD1-CA 3.31Å; D411-S413 WeakPolarHBondContact OD1-CB 3.17Å; D411-S413 PolarHBondContact OD1-N 3.17Å; D411-S413 PolarHBondContact OD1-OG 3.09Å; S413-I415 VanDerWaalsContact C-N 3.3Å; S413-I415 PolarHBondContact O-N 2.7Å; S413-T416 WeakPolarHBondContact O-CA 3.27Å; S413-T416 VanDerWaalsContact O-CB 3.32Å; S413-T416 WeakPolarHBondContact O-CB 3.46Å; S413-T416 PolarHBondContact O-N 3.23Å; S413-D417 PolarHBondContact O-N 2.79Å
414H82.2Confident88.7Confident47 Ų4757.2 Ų57.222%0.21830%0.302CS..Hα-helixtrans-63.3-33.2174.7-68.8102.6000113.2I409 Q410 D411 T416 D417 L418I409-H414 HydrophobicContact CG2-CB 3.28Å; Q410-H414 PolarHBondContact OE1-CE1 2.88Å; D411-H414 PolarHBondContact O-N 2.92Å; D411-H414 IonicContact OD1-CE1 2.85Å; D411-H414 IonicContact OD1-CG 3.51Å; D411-H414 PolarHBondContact OD1-N 3.43Å; D411-H414 IonicContact OD1-ND1 2.64Å; D411-H414 PolarHBondContact OD1-ND1 3.05Å; D411-H414 IonicContact OD2-CE1 3.6Å; D411-H414 IonicContact OD2-ND1 3.49Å; D411-H414 PolarHBondContact OD2-ND1 3.01Å; H414-T416 VanDerWaalsContact C-N 3.28Å; H414-T416 PolarHBondContact O-N 3.21Å; H414-D417 PolarHBondContact O-N 3.17Å; H414-L418 WeakPolarHBondContact O-CB 3.36Å; H414-L418 PolarHBondContact O-N 3.3Å
415I84.4Confident88.7Confident8 Ų858.7 Ų58.74%0.04131%0.308CS..Hα-helixtrans-58.1-44.9171.4-74.3170.6000110.2G354 C357 I409 D411 V412 S413 L418 E419 W431G354-I415 WeakPolarHBondContact O-CD1 3.16Å; C357-I415 HydrophobicContact CB-CD1 4.39Å; C357-I415 HydrophobicContact CB-CG1 4.2Å; I409-I415 HydrophobicContact CB-CG1 4.35Å; I409-I415 HydrophobicContact CD1-CG1 3.96Å; I409-I415 HydrophobicContact CG2-CG1 4.11Å; D411-I415 PolarHBondContact O-N 3.46Å; V412-I415 WeakPolarHBondContact O-CB 3.46Å; V412-I415 PolarHBondContact O-N 3.45Å; S413-I415 VanDerWaalsContact C-N 3.3Å; S413-I415 PolarHBondContact O-N 2.7Å; I415-L418 PolarHBondContact O-N 2.9Å; I415-E419 WeakPolarHBondContact O-CB 3.36Å; I415-E419 PolarHBondContact O-N 2.97Å; I415-W431 HydrophobicContact CG2-CZ2 3.8Å
416T87Confident88.6Confident82 Ų8259.7 Ų59.750%0.50331%0.312SS..Hα-helixtrans-66.2-42.4-178.8-52.10000110.9V412 S413 H414 E419 H420V412-T416 PolarHBondContact O-N 3.21Å; V412-T416 PolarHBondContact O-OG1 3Å; V412-T416 VanDerWaalsContact O-OG1 3.11Å; S413-T416 WeakPolarHBondContact O-CA 3.27Å; S413-T416 VanDerWaalsContact O-CB 3.32Å; S413-T416 WeakPolarHBondContact O-CB 3.46Å; S413-T416 PolarHBondContact O-N 3.23Å; H414-T416 VanDerWaalsContact C-N 3.28Å; H414-T416 PolarHBondContact O-N 3.21Å; T416-E419 PolarHBondContact O-N 3.3Å; T416-H420 WeakPolarHBondContact O-CB 3.17Å; T416-H420 PolarHBondContact O-N 2.89Å
417D89.9Confident88.3Confident88 Ų8867.9 Ų67.947%0.47135%0.345SS..Hα-helixtrans-63.7-42.1176-68.9-22.2000111.7I380 S413 H414 H420 A421I380-D417 HydrophobicContact CD1-CB 4.13Å; S413-D417 PolarHBondContact O-N 2.79Å; H414-D417 PolarHBondContact O-N 3.17Å; D417-H420 PolarHBondContact O-N 2.99Å; D417-A421 WeakPolarHBondContact O-CB 3.33Å; D417-A421 PolarHBondContact O-N 2.7Å
418L90.8Very high88Confident0 Ų073.3 Ų73.30%037%0.37CS..Hα-helixtrans-63.4-46.7175.7-178.355.8000111.6F359 I376 L377 I380 A382 I409 H414 I415 H420 A421 L422 W431F359-L418 HydrophobicContact CD1-CD2 4.42Å; F359-L418 HydrophobicContact CE1-CD2 3.91Å; I376-L418 HydrophobicContact CG2-CD1 4.39Å; L377-L418 HydrophobicContact CD2-CD1 3.59Å; L377-L418 HydrophobicContact CD2-CD2 3.81Å; L377-L418 HydrophobicContact CD2-CG 4.34Å; I380-L418 HydrophobicContact CB-CD1 4.5Å; I380-L418 HydrophobicContact CG1-CD1 4.1Å; I380-L418 HydrophobicContact CG2-CB 4.11Å; A382-L418 HydrophobicContact CB-CD2 4.33Å; I409-L418 HydrophobicContact CD1-CD2 3.54Å; H414-L418 WeakPolarHBondContact O-CB 3.36Å; H414-L418 PolarHBondContact O-N 3.3Å; I415-L418 PolarHBondContact O-N 2.9Å; L418-H420 VanDerWaalsContact C-N 3.26Å; L418-H420 PolarHBondContact O-N 3.04Å; L418-A421 PolarHBondContact O-N 2.82Å; L418-L422 HydrophobicContact CD1-CD1 3.8Å; L418-L422 HydrophobicContact CD1-CG 3.93Å; L418-L422 HydrophobicContact CG-CD1 3.81Å; L418-L422 HydrophobicContact CG-CG 4.36Å; L418-L422 WeakPolarHBondContact O-CB 3.43Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.3Å; L418-L422 PolarHBondContact O-N 3.37Å; L418-W431 HydrophobicContact CB-CH2 4.29Å; L418-W431 HydrophobicContact CD2-CH2 3.88Å; L418-W431 HydrophobicContact CG-CH2 3.89Å
419E91.4Very high88Confident44 Ų4470.3 Ų70.321%0.20636%0.358CS..Hα-helixtrans-59.4-41.6177.6-172.6178.7-169.500110.7I415 T416 K423 W431I415-E419 WeakPolarHBondContact O-CB 3.36Å; I415-E419 PolarHBondContact O-N 2.97Å; T416-E419 PolarHBondContact O-N 3.3Å; E419-K423 HydrophobicContact CG-CD 4.1Å; E419-K423 WeakPolarHBondContact O-CB 3.32Å; E419-K423 VanDerWaalsContact O-CG 3.31Å; E419-K423 WeakPolarHBondContact O-CG 3.2Å; E419-K423 PolarHBondContact O-N 3.49Å; E419-K423 WeakPolarHBondContact OE1-CE 3.28Å; E419-K423 IonicContact OE1-NZ 3.16Å; E419-K423 PolarHBondContact OE1-NZ 3.41Å; E419-W431 HydrophobicContact CB-CD2 4.37Å; E419-W431 HydrophobicContact CB-CE3 4.16Å; E419-W431 HydrophobicContact CB-CH2 4.24Å; E419-W431 HydrophobicContact CB-CZ2 4.43Å; E419-W431 HydrophobicContact CB-CZ3 4.1Å; E419-W431 HydrophobicContact CG-CD2 4.19Å; E419-W431 HydrophobicContact CG-CE3 3.98Å; E419-W431 HydrophobicContact CG-CZ3 4.37Å
420H91.8Very high87.9Confident131 Ų13174.2 Ų74.261%0.60638%0.378SS*.Hα-helixtrans-65.4-45.6176.5-174.672.1000112.8T416 D417 L418 L422 K423 T424T416-H420 WeakPolarHBondContact O-CB 3.17Å; T416-H420 PolarHBondContact O-N 2.89Å; D417-H420 PolarHBondContact O-N 2.99Å; L418-H420 VanDerWaalsContact C-N 3.26Å; L418-H420 PolarHBondContact O-N 3.04Å; H420-L422 VanDerWaalsContact C-N 3.34Å; H420-L422 PolarHBondContact O-N 3.42Å; H420-K423 PolarHBondContact O-N 3.49Å; H420-T424 WeakPolarHBondContact O-CB 3.33Å; H420-T424 PolarHBondContact O-N 3Å; H420-T424 PolarHBondContact O-OG1 3.36Å
421A93.2Very high88.1Confident30 Ų3068.7 Ų68.725%0.24835%0.351CS..Hα-helixtrans-60.5-44.8177.900000111.3I376 I380 D417 L418 T424 K425I376-A421 HydrophobicContact CG2-CB 4Å; I380-A421 HydrophobicContact CD1-CB 4.46Å; D417-A421 WeakPolarHBondContact O-CB 3.33Å; D417-A421 PolarHBondContact O-N 2.7Å; L418-A421 PolarHBondContact O-N 2.82Å; A421-T424 PolarHBondContact O-N 2.77Å; A421-K425 PolarHBondContact O-N 2.85Å
422L94.1Very high87.8Confident0 Ų066.7 Ų66.70%034%0.342CS..Hα-helixtrans-66.6-43.6178.4-68.2170.8000112.1F359 V361 L373 I376 L418 H420 T424 K425 Y426 V429 W431F359-L422 HydrophobicContact CD1-CD1 4.14Å; F359-L422 HydrophobicContact CD2-CD1 3.83Å; F359-L422 HydrophobicContact CE1-CD1 4.05Å; F359-L422 HydrophobicContact CE2-CD1 3.71Å; F359-L422 HydrophobicContact CE2-CD2 4.49Å; F359-L422 HydrophobicContact CG-CD1 4.04Å; F359-L422 HydrophobicContact CZ-CD1 3.84Å; V361-L422 HydrophobicContact CG1-CD2 4.33Å; L373-L422 HydrophobicContact CD1-CD2 3.49Å; L373-L422 VanDerWaalsContact CD1-CD2 3.49Å; I376-L422 HydrophobicContact CG2-CD2 4.17Å; L418-L422 HydrophobicContact CD1-CD1 3.8Å; L418-L422 HydrophobicContact CD1-CG 3.93Å; L418-L422 HydrophobicContact CG-CD1 3.81Å; L418-L422 HydrophobicContact CG-CG 4.36Å; L418-L422 WeakPolarHBondContact O-CB 3.43Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.3Å; L418-L422 PolarHBondContact O-N 3.37Å; H420-L422 VanDerWaalsContact C-N 3.34Å; H420-L422 PolarHBondContact O-N 3.42Å; L422-T424 VanDerWaalsContact C-N 3.31Å; L422-T424 PolarHBondContact O-N 3.41Å; L422-K425 PolarHBondContact O-N 2.99Å; L422-Y426 HydrophobicContact CB-CD2 4.46Å; L422-Y426 HydrophobicContact CD2-CD2 3.9Å; L422-Y426 HydrophobicContact CD2-CE2 3.73Å; L422-Y426 WeakPolarHBondContact O-CB 3.4Å; L422-Y426 WeakPolarHBondContact O-CD2 3.45Å; L422-Y426 PolarHBondContact O-N 3.17Å; L422-V429 HydrophobicContact CB-CG1 4.18Å; L422-V429 HydrophobicContact CB-CG2 4.13Å; L422-W431 HydrophobicContact CD1-CH2 4.31Å; L422-W431 HydrophobicContact CD1-CZ3 3.73Å
423K92.9Very high87.1Confident118 Ų11864.7 Ų64.751%0.51333%0.326SS..Hα-helixtrans-68.3-29.5178.9-76.4179.3-177.7172.20113.2E419 H420 K425 V429E419-K423 HydrophobicContact CG-CD 4.1Å; E419-K423 WeakPolarHBondContact O-CB 3.32Å; E419-K423 VanDerWaalsContact O-CG 3.31Å; E419-K423 WeakPolarHBondContact O-CG 3.2Å; E419-K423 PolarHBondContact O-N 3.49Å; E419-K423 WeakPolarHBondContact OE1-CE 3.28Å; E419-K423 IonicContact OE1-NZ 3.16Å; E419-K423 PolarHBondContact OE1-NZ 3.41Å; H420-K423 PolarHBondContact O-N 3.49Å; K423-K425 VanDerWaalsContact C-N 3.33Å; K423-V429 HydrophobicContact CG-CB 4.15Å; K423-V429 HydrophobicContact CG-CG2 4.23Å
424T93.3Very high85.5Confident104 Ų10468 Ų6864%0.63834%0.339SS*.Hα-helixtrans-67.5-37.2173.4-61.60000111.3H420 A421 L422H420-T424 WeakPolarHBondContact O-CB 3.33Å; H420-T424 PolarHBondContact O-N 3Å; H420-T424 PolarHBondContact O-OG1 3.36Å; A421-T424 PolarHBondContact O-N 2.77Å; L422-T424 VanDerWaalsContact C-N 3.31Å; L422-T424 PolarHBondContact O-N 3.41Å
425K92.3Very high83.4Confident107 Ų10771.1 Ų71.147%0.46535%0.353SS..Hα-helixtrans-88-42.3-175.9-170.767.4174-168.90113.8E372 I376 A421 L422 K423E372-K425 WeakPolarHBondContact OE1-CE 3.35Å; E372-K425 IonicContact OE1-NZ 2.72Å; E372-K425 PolarHBondContact OE1-NZ 2.81Å; E372-K425 WeakPolarHBondContact OE2-CE 3.36Å; E372-K425 IonicContact OE2-NZ 2.69Å; I376-K425 HydrophobicContact CD1-CB 4.16Å; I376-K425 HydrophobicContact CD1-CG 3.95Å; A421-K425 PolarHBondContact O-N 2.85Å; L422-K425 PolarHBondContact O-N 2.99Å; K423-K425 VanDerWaalsContact C-N 3.33Å
426Y91.9Very high81.3Confident22 Ų2275.3 Ų75.39%0.08638%0.376CS..  trans-115.3134.9-170-54-64.2000110.8V361 L363 L373 I376 L422V361-Y426 HydrophobicContact CB-CD2 4.43Å; V361-Y426 HydrophobicContact CG1-CD2 4.14Å; L363-Y426 HydrophobicContact CD2-CD1 3.6Å; L363-Y426 HydrophobicContact CD2-CD2 4.5Å; L363-Y426 HydrophobicContact CD2-CE1 3.22Å; L363-Y426 HydrophobicContact CD2-CE2 4.17Å; L363-Y426 HydrophobicContact CD2-CG 4.24Å; L373-Y426 WeakPolarHBondContact CA-OH 3.42Å; L373-Y426 HydrophobicContact CD1-CE2 3.98Å; L373-Y426 PolarHBondContact N-OH 3.2Å; I376-Y426 HydrophobicContact CD1-CE2 3.91Å; L422-Y426 HydrophobicContact CB-CD2 4.46Å; L422-Y426 HydrophobicContact CD2-CD2 3.9Å; L422-Y426 HydrophobicContact CD2-CE2 3.73Å; L422-Y426 WeakPolarHBondContact O-CB 3.4Å; L422-Y426 WeakPolarHBondContact O-CD2 3.45Å; L422-Y426 PolarHBondContact O-N 3.17Å
427K85.7Confident78.6Confident200 Ų20079.3 Ų79.387%0.8739%0.391SS*.SBendtrans-71-31179.9-68.3-174.7178.5-178.10113.4
428H87.1Confident75.4Confident114 Ų11480.2 Ų80.253%0.52839%0.394SS..  trans-119.596.4-175.3-60.3-70.1000109.1V361 V362V361-H428 WeakPolarHBondContact CA-O 3.47Å; V362-H428 HydrophobicContact CB-CB 4.01Å; V362-H428 HydrophobicContact CG2-CB 3.86Å; V362-H428 PolarHBondContact N-O 3.31Å; V362-H428 VanDerWaalsContact N-O 3.16Å
429V90.3Very high72.2Confident26 Ų2686.4 Ų86.416%0.15843%0.432CS..EExtended strand (participates in β ladder)trans-122.3123174.5-174.30000107.7I360 V361 L422 K423 W431I360-V429 CarbonylContact O-C 3.56Å; I360-V429 WeakPolarHBondContact O-CA 3.4Å; V361-V429 HydrophobicContact CG1-CB 4.43Å; V361-V429 HydrophobicContact CG1-CG1 4.12Å; V361-V429 HydrophobicContact CG1-CG2 4.01Å; L422-V429 HydrophobicContact CB-CG1 4.18Å; L422-V429 HydrophobicContact CB-CG2 4.13Å; K423-V429 HydrophobicContact CG-CB 4.15Å; K423-V429 HydrophobicContact CG-CG2 4.23Å; V429-W431 HydrophobicContact CG1-CE3 4.31Å
430I87.4Confident69.2Low90 Ų9098.5 Ų98.546%0.46248%0.478SS..EExtended strand (participates in β ladder)trans-112.6117.2175.3-56.1174000107.5F359 I360F359-I430 CarbonylContact C-O 3.52Å; F359-I430 VanDerWaalsContact CA-O 3.23Å; F359-I430 WeakPolarHBondContact CA-O 3.24Å; I360-I430 HydrophobicContact CB-CB 4.28Å; I360-I430 PolarHBondContact N-O 3.44Å; I360-I430 PolarHBondContact O-N 3.26Å
431W85.1Confident68.1Low26 Ų2696.9 Ų96.910%0.09847%0.472CS..EExtended strand (participates in β ladder)trans-91.3121176.4-148.3-108.9000110.1C357 F359 I415 L418 E419 L422 V429 Q433C357-W431 HydrophobicContact CB-CZ2 3.79Å; F359-W431 HydrophobicContact CB-CD2 4.11Å; F359-W431 HydrophobicContact CB-CE3 3.37Å; F359-W431 HydrophobicContact CB-CH2 4.16Å; F359-W431 HydrophobicContact CB-CZ3 3.4Å; F359-W431 VanDerWaalsContact CB-CZ3 3.4Å; F359-W431 HydrophobicContact CD1-CE3 4.41Å; F359-W431 AromaticContact CD1-CH2 3.64Å; F359-W431 HydrophobicContact CD1-CH2 3.64Å; F359-W431 HydrophobicContact CD1-CZ2 4.5Å; F359-W431 AromaticContact CD1-CZ3 3.59Å; F359-W431 HydrophobicContact CD1-CZ3 3.59Å; F359-W431 HydrophobicContact CE1-CH2 4.43Å; F359-W431 HydrophobicContact CG-CE3 4.11Å; F359-W431 HydrophobicContact CG-CH2 4.15Å; F359-W431 AromaticContact CG-CZ3 3.59Å; F359-W431 HydrophobicContact CG-CZ3 3.59Å; I415-W431 HydrophobicContact CG2-CZ2 3.8Å; L418-W431 HydrophobicContact CB-CH2 4.29Å; L418-W431 HydrophobicContact CD2-CH2 3.88Å; L418-W431 HydrophobicContact CG-CH2 3.89Å; E419-W431 HydrophobicContact CB-CD2 4.37Å; E419-W431 HydrophobicContact CB-CE3 4.16Å; E419-W431 HydrophobicContact CB-CH2 4.24Å; E419-W431 HydrophobicContact CB-CZ2 4.43Å; E419-W431 HydrophobicContact CB-CZ3 4.1Å; E419-W431 HydrophobicContact CG-CD2 4.19Å; E419-W431 HydrophobicContact CG-CE3 3.98Å; E419-W431 HydrophobicContact CG-CZ3 4.37Å; L422-W431 HydrophobicContact CD1-CH2 4.31Å; L422-W431 HydrophobicContact CD1-CZ3 3.73Å; V429-W431 HydrophobicContact CG1-CE3 4.31Å; W431-Q433 VanDerWaalsContact C-N 3.34Å; W431-Q433 PolarHBondContact O-N 2.63Å
432C73.3Confident66.7Low11 Ų11100.4 Ų100.47%0.07448%0.483CS..G310 helixtrans-84.5-0.7-174.3-60.70000114.2R358R358-C432 HydrophobicContact CB-CB 4.04Å; R358-C432 HydrophobicContact CG-CB 4.27Å; R358-C432 PolarHBondContact NE-SG 3.34Å; R358-C432 VanDerWaalsContact NE-SG 3.35Å; R358-C432 VanDerWaalsContact O-CB 3.29Å; R358-C432 WeakPolarHBondContact O-CB 3.48Å; R358-C432 PolarHBondContact O-N 3.05Å
433Q63.3Low65.2Low46 Ų46106 Ų10622%0.21551%0.51CS..G310 helixtrans-73.8-29.3-178.6-82.5175-28.600113.7L356 W431 E435 L436L356-Q433 PolarHBondContact O-NE2 3.19Å; L356-Q433 VanDerWaalsContact O-NE2 3.12Å; W431-Q433 VanDerWaalsContact C-N 3.34Å; W431-Q433 PolarHBondContact O-N 2.63Å; Q433-E435 PolarHBondContact O-N 3.15Å; Q433-L436 PolarHBondContact O-N 3.24Å
434N47.4Very low63.6Low133 Ų133105.3 Ų105.371%0.71151%0.51SS*.G310 helixtrans-68.7-14.2178.6-78.2-16.6000113.5L436N434-L436 VanDerWaalsContact C-N 3.34Å
435E39.3Very low61.7Low113 Ų113105.4 Ų105.453%0.52850%0.502SS..G310 helixtrans-80.7-12.5178.6-64.7-173.3152.500113.6Q433 M437 I438Q433-E435 PolarHBondContact O-N 3.15Å; E435-M437 PolarHBondContact O-N 3.38Å; E435-I438 HydrophobicContact CB-CD1 3.74Å; E435-I438 HydrophobicContact CB-CG1 4.45Å; E435-I438 HydrophobicContact CG-CD1 3.8Å; E435-I438 WeakPolarHBondContact O-CG1 3.37Å; E435-I438 PolarHBondContact O-N 3.42Å
436L40.6Very low59.7Low97 Ų97105.3 Ų105.351%0.50851%0.505SS..G310 helixtrans-72.7-14.3173.5-77.5165.2000112.9Q433 N434Q433-L436 PolarHBondContact O-N 3.24Å; N434-L436 VanDerWaalsContact C-N 3.34Å
437M28.9Very low57.4Low166 Ų166111.2 Ų111.282%0.81853%0.534SS*.G310 helixtrans-93.88.9173.8-78.5-85-74.700113.2E435 T439E435-M437 PolarHBondContact O-N 3.38Å; M437-T439 PolarHBondContact O-N 3.23Å
438I24.4Very low55.2Low107 Ų107104.4 Ų104.455%0.54951%0.509SS..  trans-75.896.2176.5-61.1172.8000108.5E435 Y440E435-I438 HydrophobicContact CB-CD1 3.74Å; E435-I438 HydrophobicContact CB-CG1 4.45Å; E435-I438 HydrophobicContact CG-CD1 3.8Å; E435-I438 WeakPolarHBondContact O-CG1 3.37Å; E435-I438 PolarHBondContact O-N 3.42Å; I438-Y440 PolarHBondContact O-N 2.9Å
439T23Very low52.6Low129 Ų129103.6 Ų103.679%0.79151%0.507SS*.  trans-43.4120.2151.334.10000109.4M437M437-T439 PolarHBondContact O-N 3.23Å
440Y28.1Very low49.1Very low299 Ų299110.6 Ų110.6100%1.17354%0.539SS*.  trans-65.60157.4-85.4-83.9000110.5I438I438-Y440 PolarHBondContact O-N 2.9Å

Retrieved 440 of 440 residues in 278.1 ms (Link to these results)

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