A0A077ZEP7_TRITR Loading...

Lethal(3)malignant brain tumor protein 2

AlphaFold DB , UniProt , Accession A0A077ZEP7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 501 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
1M32Very low29.9Very low243 Ų243138.5 Ų138.5100%1.19780%0.798SS**  0104.60-66.5-173.4-177.700107.6
2P29.8Very low31.3Very low124 Ų124135.8 Ų135.881%0.80579%0.789SS**  trans-95.7134.3161.625.1-10.1000109.1
3A24.9Very low32.8Very low94 Ų94128.5 Ų128.578%0.77775%0.75SS**  trans-54.8134.4174.900000110.4N5A3-N5 PolarHBondContact O-N 3.45Å
4V27.2Very low34.8Very low138 Ų138128.7 Ų128.784%0.83673%0.732SS**  trans-64.9104.7167.1177.30000106.2C6V4-C6 PolarHBondContact O-N 3.29Å; V4-C6 VanDerWaalsContact O-N 3.12Å
5N24.5Very low36.7Very low147 Ų147120.9 Ų120.979%0.78669%0.688SS**  trans-59.9110.4165.1-110.4-6.9000106.7A3 D7A3-N5 PolarHBondContact O-N 3.45Å; N5-D7 PolarHBondContact O-N 3.11Å; N5-D7 VanDerWaalsContact O-N 3.07Å
6C26.1Very low38.7Very low112 Ų112115.8 Ų115.876%0.75766%0.658SS**  trans-62.5104.4159.321.40000106.9V4 V8V4-C6 PolarHBondContact O-N 3.29Å; V4-C6 VanDerWaalsContact O-N 3.12Å; C6-V8 PolarHBondContact O-N 2.91Å; C6-V8 VanDerWaalsContact O-N 3.13Å
7D28.7Very low40.5Very low129 Ų129111 Ų11169%0.6963%0.631SS**  trans-60.6111.1-178.9-121.4-36.6000110N5 T9N5-D7 PolarHBondContact O-N 3.11Å; N5-D7 VanDerWaalsContact O-N 3.07Å; D7-T9 VanDerWaalsContact C-N 3.32Å; D7-T9 PolarHBondContact O-N 3.49Å; D7-T9 PolarHBondContact OD1-OG1 3.13Å
8V28.3Very low42.1Very low142 Ų142106.3 Ų106.386%0.86160%0.604SS**  trans-89.372.4168.9-177.50000106.8C6C6-V8 PolarHBondContact O-N 2.91Å; C6-V8 VanDerWaalsContact O-N 3.13Å
9T29.8Very low43.3Very low112 Ų112102.8 Ų102.869%0.68759%0.586SS**  trans-142.79.317452.40000115.2D7 K11D7-T9 VanDerWaalsContact C-N 3.32Å; D7-T9 PolarHBondContact O-N 3.49Å; D7-T9 PolarHBondContact OD1-OG1 3.13Å; T9-K11 PolarHBondContact O-N 3.15Å
10T38.2Very low44.5Very low87 Ų87104.5 Ų104.553%0.53459%0.593SS.*SBendtrans-81.411716356.10000108.1P12 T70T10-P12 VanDerWaalsContact O-N 3.11Å; T10-T70 HydrophobicContact CG2-CG2 3.47Å; T10-T70 VanDerWaalsContact CG2-CG2 3.47Å
11K39.4Very low45.7Very low195 Ų195104.9 Ų104.985%0.84860%0.602SS**  trans-44.7124.5167.2-79.8-179.8177.4174.50107.4T9 C13T9-K11 PolarHBondContact O-N 3.15Å; K11-C13 PolarHBondContact O-N 3.33Å; K11-C13 VanDerWaalsContact O-N 3.12Å
12P46.2Very low47.5Very low107 Ų10795.6 Ų95.670%0.69555%0.554SS**PPolyproline II helixtrans-57.3125-17821.3-30.3000107.7T10 R14T10-P12 VanDerWaalsContact O-N 3.11Å; P12-R14 PolarHBondContact O-N 3.04Å
13C51.9Low49.7Very low41 Ų4193.8 Ų93.828%0.27754%0.538SS..PPolyproline II helixtrans-52.4119.8177.9-69.60000108.4K11 P15 M115 T119 D121K11-C13 PolarHBondContact O-N 3.33Å; K11-C13 VanDerWaalsContact O-N 3.12Å; C13-P15 WeakPolarHBondContact O-CD 3.37Å; C13-M115 HydrophobicContact CB-CE 4.32Å; C13-M115 VanDerWaalsContact SG-CE 3.51Å; C13-T119 HydrophobicContact CB-CG2 3.97Å; C13-D121 WeakPolarHBondContact CA-OD2 3.14Å; C13-D121 WeakPolarHBondContact CB-OD2 3.28Å; C13-D121 PolarHBondContact SG-OD2 2.93Å
14R60.4Low52Low131 Ų13193 Ų9349%0.49453%0.525SS..PPolyproline II helixtrans-77118.9-173.8-152.9179.8-154-156.15.2107.5P12 D20 A120P12-R14 PolarHBondContact O-N 3.04Å; R14-D20 IonicContact CZ-OD1 3.85Å; R14-D20 IonicContact NH1-OD1 2.86Å; R14-D20 PolarHBondContact NH1-OD1 3.12Å; R14-D20 IonicContact NH2-OD1 3.86Å; R14-D20 PolarHBondContact NH2-OD1 3.45Å; R14-A120 WeakPolarHBondContact O-CB 3.25Å; R14-A120 PolarHBondContact O-N 3.06Å; R14-A120 VanDerWaalsContact O-N 3.09Å
15P64Low54.5Low11 Ų1190.3 Ų90.37%0.07151%0.512CS..BIsolated β-bridgetrans-68.7149.8177.3-14.531.6000109.7C13 T17 I18 T119 E464 M465C13-P15 WeakPolarHBondContact O-CD 3.37Å; P15-T17 PolarHBondContact O-N 3.27Å; P15-I18 HydrophobicContact CB-CD1 4.17Å; P15-I18 HydrophobicContact CB-CG1 3.81Å; P15-I18 VanDerWaalsContact CD-CD1 3.41Å; P15-I18 HydrophobicContact CG-CD1 3.43Å; P15-I18 VanDerWaalsContact CG-CD1 3.43Å; P15-I18 HydrophobicContact CG-CG1 3.65Å; P15-I18 PolarHBondContact O-N 3.48Å; P15-T119 HydrophobicContact CB-CG2 4.4Å; P15-T119 HydrophobicContact CG-CG2 4.38Å; P15-E464 HydrophobicContact CG-CG 4.39Å; P15-E464 VanDerWaalsContact CG-O 3.32Å; P15-E464 WeakPolarHBondContact CG-O 3.49Å; P15-M465 VanDerWaalsContact CB-O 3.32Å; P15-M465 WeakPolarHBondContact CB-O 3.26Å
16L67.9Low57.3Low40 Ų4087.9 Ų87.921%0.20950%0.499CS..THydrogen-bonded Turntrans-57.8-20.1-168.9-76.3163.9000114.5C118 A120 H167 V170L16-C118 WeakPolarHBondContact CD1-O 3.22Å; L16-A120 HydrophobicContact CD2-CB 3.78Å; L16-A120 HydrophobicContact CG-CB 4.29Å; L16-H167 HydrophobicContact CD1-CB 4.34Å; L16-H167 WeakPolarHBondContact CD1-ND1 3.43Å; L16-H167 HydrophobicContact CD2-CB 4.46Å; L16-H167 WeakPolarHBondContact CD2-ND1 3.25Å; L16-V170 HydrophobicContact CD1-CB 3.87Å; L16-V170 HydrophobicContact CD1-CG1 3.78Å
17T68.7Low60.4Low34 Ų3483.5 Ų83.521%0.20947%0.469CS..THydrogen-bonded Turntrans-126.49.5-170.343.90000114.9P15 P19 C174 M465P15-T17 PolarHBondContact O-N 3.27Å; T17-P19 WeakPolarHBondContact O-CD 3.38Å; T17-C174 HydrophobicContact CG2-CB 3.42Å; T17-C174 VanDerWaalsContact CG2-CB 3.42Å; T17-M465 PolarHBondContact OG1-O 3Å
18I69.2Low63.5Low26 Ų2679 Ų7913%0.13344%0.442CS..  trans-71.9128178.4-70.5-156000111.4P15 Y22 E464P15-I18 HydrophobicContact CB-CD1 4.17Å; P15-I18 HydrophobicContact CB-CG1 3.81Å; P15-I18 VanDerWaalsContact CD-CD1 3.41Å; P15-I18 HydrophobicContact CG-CD1 3.43Å; P15-I18 VanDerWaalsContact CG-CD1 3.43Å; P15-I18 HydrophobicContact CG-CG1 3.65Å; P15-I18 PolarHBondContact O-N 3.48Å; I18-Y22 HydrophobicContact CD1-CD1 3.69Å; I18-Y22 HydrophobicContact CD1-CE1 3.72Å; I18-Y22 HydrophobicContact CD1-CG 4.23Å; I18-Y22 VanDerWaalsContact CG2-CB 3.41Å; I18-Y22 HydrophobicContact CG2-CD1 3.86Å; I18-Y22 HydrophobicContact CG2-CG 3.78Å; I18-E464 WeakPolarHBondContact CD1-O 3.07Å
19P66.5Low66.5Low40 Ų4075.6 Ų75.626%0.2642%0.424SS..  trans-65.1150.2169.5-16.129.1000112.5T17 S21 Y22T17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-S21 PolarHBondContact O-N 3.09Å; P19-Y22 WeakPolarHBondContact O-CB 3.28Å; P19-Y22 PolarHBondContact O-N 3.04Å; P19-Y22 VanDerWaalsContact O-N 3.13Å
20D67.2Low69.6Low136 Ų13670.6 Ų70.673%0.72739%0.392SS*.THydrogen-bonded Turntrans-58.9-22.5179.2-70-33.1000114.3R14R14-D20 IonicContact CZ-OD1 3.85Å; R14-D20 IonicContact NH1-OD1 2.86Å; R14-D20 PolarHBondContact NH1-OD1 3.12Å; R14-D20 IonicContact NH2-OD1 3.86Å; R14-D20 PolarHBondContact NH2-OD1 3.45Å
21S69.2Low72Confident113 Ų11368.4 Ų68.479%0.7938%0.381SS*.THydrogen-bonded Turntrans-85.1-1.1-17961.90000115P19 D23P19-S21 PolarHBondContact O-N 3.09Å; S21-D23 PolarHBondContact O-N 3.18Å
22Y70.1Confident74.4Confident49 Ų4965 Ų6519%0.19237%0.372CS..  trans-72.8122.5-177.9178.5-98000111.5I18 P19 P24 T27 G467I18-Y22 HydrophobicContact CD1-CD1 3.69Å; I18-Y22 HydrophobicContact CD1-CE1 3.72Å; I18-Y22 HydrophobicContact CD1-CG 4.23Å; I18-Y22 VanDerWaalsContact CG2-CB 3.41Å; I18-Y22 HydrophobicContact CG2-CD1 3.86Å; I18-Y22 HydrophobicContact CG2-CG 3.78Å; P19-Y22 WeakPolarHBondContact O-CB 3.28Å; P19-Y22 PolarHBondContact O-N 3.04Å; P19-Y22 VanDerWaalsContact O-N 3.13Å; Y22-P24 HydrophobicContact CE1-CB 3.93Å; Y22-T27 WeakPolarHBondContact OH-CG2 3.49Å; Y22-G467 VanDerWaalsContact CD2-O 3.25Å; Y22-G467 WeakPolarHBondContact CD2-O 3.35Å
23D75.4Confident76.6Confident86 Ų8661.1 Ų61.146%0.4634%0.344SS..  trans-99.7111.9171.9-167.9-25.5000110.2S21 S25S21-D23 PolarHBondContact O-N 3.18Å; D23-S25 PolarHBondContact O-N 3.22Å; D23-S25 VanDerWaalsContact OD1-CB 3.3Å; D23-S25 WeakPolarHBondContact OD1-CB 3.18Å; D23-S25 PolarHBondContact OD1-N 2.91Å; D23-S25 PolarHBondContact OD1-OG 3.37Å; D23-S25 PolarHBondContact OD2-OG 3.47Å
24P74Confident78.7Confident77 Ų7759.3 Ų59.350%0.533%0.331SS..G310 helixtrans-69.3-13.5179.827.1-33.1000113.9Y22 D26 T27Y22-P24 HydrophobicContact CE1-CB 3.93Å; P24-D26 VanDerWaalsContact C-N 3.31Å; P24-D26 PolarHBondContact O-N 3.26Å; P24-T27 WeakPolarHBondContact O-CG2 3.39Å; P24-T27 PolarHBondContact O-N 3.05Å
25S78.7Confident80.2Confident81 Ų8159.1 Ų59.157%0.56633%0.334SS*.G310 helixtrans-73.1-23.3-177.966.20000113.7D23D23-S25 PolarHBondContact O-N 3.22Å; D23-S25 VanDerWaalsContact OD1-CB 3.3Å; D23-S25 WeakPolarHBondContact OD1-CB 3.18Å; D23-S25 PolarHBondContact OD1-N 2.91Å; D23-S25 PolarHBondContact OD1-OG 3.37Å; D23-S25 PolarHBondContact OD2-OG 3.47Å
26D82.8Confident81.7Confident96 Ų9663 Ų6351%0.51335%0.353SS..G310 helixtrans-93.86.3179.7-72.7-30.7000113.4P24 Q469 F472P24-D26 VanDerWaalsContact C-N 3.31Å; P24-D26 PolarHBondContact O-N 3.26Å; D26-Q469 PolarHBondContact O-NE2 2.93Å; D26-F472 WeakPolarHBondContact O-CE2 3.13Å
27T91Very high82.9Confident20 Ų2067.1 Ų67.112%0.12338%0.382CS..SBendtrans-109.3143.2178.1-167.70000112.2Y22 P24 L470 F472Y22-T27 WeakPolarHBondContact OH-CG2 3.49Å; P24-T27 WeakPolarHBondContact O-CG2 3.39Å; P24-T27 PolarHBondContact O-N 3.05Å; T27-L470 PolarHBondContact OG1-N 3.19Å; T27-F472 WeakPolarHBondContact O-CZ 3.46Å
28Y93.7Very high84.1Confident36 Ų3669.2 Ų69.214%0.14141%0.411CS..  trans-63.1140.1168.1177.7-102.1000110.8W30 K33 P424 L470 F472 P473Y28-W30 AromaticContact CE1-CD2 3.95Å; Y28-W30 HydrophobicContact CE1-CD2 3.95Å; Y28-W30 HydrophobicContact CE1-CE3 4.11Å; Y28-W30 HydrophobicContact CE1-CG 4.27Å; Y28-K33 VanDerWaalsContact OH-CB 3.32Å; Y28-K33 WeakPolarHBondContact OH-CB 3.31Å; Y28-K33 VanDerWaalsContact OH-CD 3.25Å; Y28-K33 WeakPolarHBondContact OH-CD 3.29Å; Y28-P424 HydrophobicContact CD1-CB 4.36Å; Y28-P424 HydrophobicContact CD1-CG 3.34Å; Y28-P424 HydrophobicContact CE1-CB 4.15Å; Y28-P424 HydrophobicContact CE1-CG 3.59Å; Y28-P424 HydrophobicContact CG-CG 3.94Å; Y28-L470 WeakPolarHBondContact CB-O 3.42Å; Y28-L470 HydrophobicContact CD1-CD2 3.7Å; Y28-L470 HydrophobicContact CD1-CG 4.2Å; Y28-L470 PolarHBondContact N-O 2.84Å; Y28-F472 AromaticContact CD2-CD1 3.93Å; Y28-F472 HydrophobicContact CD2-CD1 3.93Å; Y28-F472 HydrophobicContact CD2-CE1 4.38Å; Y28-P473 HydrophobicContact CD2-CG 4.09Å; Y28-P473 HydrophobicContact CE2-CG 3.82Å
29C91.9Very high85.4Confident70 Ų7068.5 Ų68.547%0.47341%0.407SS..  trans-117.7124.6179.5-169.10000110.9S31C29-S31 PolarHBondContact O-N 2.75Å; C29-S31 VanDerWaalsContact O-N 3.15Å; C29-S31 PolarHBondContact SG-OG 3.18Å
30W94.7Very high86.9Confident6 Ų668.7 Ų68.72%0.02341%0.409CS..THydrogen-bonded Turntrans-66.6-11.6178.3-72.2103.2000114.8Y28 D32 K33 I34 F39 W410 E412 P424 V460 L470Y28-W30 AromaticContact CE1-CD2 3.95Å; Y28-W30 HydrophobicContact CE1-CD2 3.95Å; Y28-W30 HydrophobicContact CE1-CE3 4.11Å; Y28-W30 HydrophobicContact CE1-CG 4.27Å; W30-D32 PolarHBondContact O-N 2.98Å; W30-K33 HydrophobicContact CE3-CB 4.27Å; W30-K33 HydrophobicContact CE3-CD 4.21Å; W30-K33 HydrophobicContact CE3-CG 4.36Å; W30-K33 HydrophobicContact CZ3-CD 3.89Å; W30-K33 HydrophobicContact CZ3-CG 4.35Å; W30-K33 PolarHBondContact O-N 3.1Å; W30-I34 WeakPolarHBondContact O-CB 3.44Å; W30-I34 VanDerWaalsContact O-CG2 3.27Å; W30-I34 WeakPolarHBondContact O-CG2 3.35Å; W30-I34 PolarHBondContact O-N 3.06Å; W30-F39 AromaticContact CE3-CE2 3.92Å; W30-F39 HydrophobicContact CE3-CE2 3.92Å; W30-F39 AromaticContact CE3-CZ 3.93Å; W30-F39 HydrophobicContact CE3-CZ 3.93Å; W30-F39 AromaticContact CZ3-CE2 3.74Å; W30-F39 HydrophobicContact CZ3-CE2 3.74Å; W30-F39 AromaticContact CZ3-CZ 3.95Å; W30-F39 HydrophobicContact CZ3-CZ 3.95Å; W30-W410 HydrophobicContact CH2-CB 4.16Å; W30-W410 AromaticContact CH2-CE3 3.9Å; W30-W410 HydrophobicContact CH2-CE3 3.9Å; W30-W410 HydrophobicContact CZ3-CB 4.21Å; W30-W410 HydrophobicContact CZ3-CD2 4.27Å; W30-W410 AromaticContact CZ3-CE3 3.92Å; W30-W410 HydrophobicContact CZ3-CE3 3.92Å; W30-W410 HydrophobicContact CZ3-CG 4.41Å; W30-E412 HydrophobicContact CZ2-CG 3.93Å; W30-E412 PolarHBondContact NE1-OE1 2.99Å; W30-P424 HydrophobicContact CH2-CB 3.65Å; W30-P424 HydrophobicContact CZ2-CB 3.78Å; W30-P424 HydrophobicContact CZ2-CG 4.4Å; W30-P424 HydrophobicContact CZ3-CB 4.37Å; W30-V460 HydrophobicContact CB-CG1 4.29Å; W30-V460 HydrophobicContact CD2-CG1 3.75Å; W30-V460 HydrophobicContact CD2-CG2 4.39Å; W30-V460 HydrophobicContact CE3-CG1 4.36Å; W30-V460 HydrophobicContact CG-CG1 3.71Å; W30-V460 HydrophobicContact CH2-CG2 4.07Å; W30-V460 HydrophobicContact CZ2-CG2 3.86Å; W30-V460 HydrophobicContact CZ3-CG2 4.43Å; W30-L470 VanDerWaalsContact NE1-CD2 3.32Å
31S88.5Confident88.4Confident41 Ų4162.6 Ų62.629%0.28738%0.377SS..THydrogen-bonded Turntrans-53.8-28.7-168.9-67.80000115.6C29 K35C29-S31 PolarHBondContact O-N 2.75Å; C29-S31 VanDerWaalsContact O-N 3.15Å; C29-S31 PolarHBondContact SG-OG 3.18Å; S31-K35 VanDerWaalsContact O-CD 3.23Å; S31-K35 WeakPolarHBondContact O-CD 3.33Å; S31-K35 WeakPolarHBondContact O-CE 3.44Å; S31-K35 WeakPolarHBondContact O-CG 3.25Å; S31-K35 PolarHBondContact O-NZ 3.09Å
32D89.8Confident89.7Confident123 Ų12357.2 Ų57.266%0.65834%0.34SS*.THydrogen-bonded Turntrans-90.3-42.6177.1-66-27.4000111.7W30 I34 K35W30-D32 PolarHBondContact O-N 2.98Å; D32-I34 PolarHBondContact O-N 2.83Å; D32-K35 PolarHBondContact O-N 3.29Å
33K94Very high90.9Very high27 Ų2756.2 Ų56.212%0.11734%0.34CS..G310 helixtrans-68.7-37.6-175.9-170.8161.1-175.5135.40113Y28 W30 K35 I36 F39 W410 D440Y28-K33 VanDerWaalsContact OH-CB 3.32Å; Y28-K33 WeakPolarHBondContact OH-CB 3.31Å; Y28-K33 VanDerWaalsContact OH-CD 3.25Å; Y28-K33 WeakPolarHBondContact OH-CD 3.29Å; W30-K33 HydrophobicContact CE3-CB 4.27Å; W30-K33 HydrophobicContact CE3-CD 4.21Å; W30-K33 HydrophobicContact CE3-CG 4.36Å; W30-K33 HydrophobicContact CZ3-CD 3.89Å; W30-K33 HydrophobicContact CZ3-CG 4.35Å; W30-K33 PolarHBondContact O-N 3.1Å; K33-K35 PolarHBondContact O-N 3.41Å; K33-I36 HydrophobicContact CG-CD1 4.2Å; K33-I36 VanDerWaalsContact O-CB 3.32Å; K33-I36 WeakPolarHBondContact O-CB 3.49Å; K33-I36 WeakPolarHBondContact O-CG1 3.39Å; K33-I36 PolarHBondContact O-N 3.21Å; K33-I36 VanDerWaalsContact O-N 3.07Å; K33-F39 HydrophobicContact CG-CD2 4.07Å; K33-F39 HydrophobicContact CG-CE2 3.99Å; K33-F39 WeakPolarHBondContact O-CD2 3.45Å; K33-W410 HydrophobicContact CD-CZ3 4.44Å; K33-W410 VanDerWaalsContact NZ-CZ3 3.29Å; K33-D440 IonicContact NZ-OD1 3.9Å; K33-D440 PolarHBondContact NZ-OD1 3.24Å; K33-D440 IonicContact NZ-OD2 2.98Å; K33-D440 PolarHBondContact NZ-OD2 3.45Å
34I95.2Very high91.8Very high2 Ų252.4 Ų52.41%0.0132%0.319CS..G310 helixtrans-62-22.7177.8-162166.6000113.4W30 D32 I36 F39 E94 K97 W114W30-I34 WeakPolarHBondContact O-CB 3.44Å; W30-I34 VanDerWaalsContact O-CG2 3.27Å; W30-I34 WeakPolarHBondContact O-CG2 3.35Å; W30-I34 PolarHBondContact O-N 3.06Å; D32-I34 PolarHBondContact O-N 2.83Å; I34-I36 VanDerWaalsContact C-N 3.34Å; I34-F39 HydrophobicContact CB-CD1 4.44Å; I34-F39 HydrophobicContact CB-CE1 4.31Å; I34-F39 HydrophobicContact CG1-CD1 3.96Å; I34-F39 HydrophobicContact CG1-CE1 3.81Å; I34-F39 HydrophobicContact CG1-CZ 4.47Å; I34-E94 HydrophobicContact CD1-CB 3.56Å; I34-E94 HydrophobicContact CD1-CG 3.89Å; I34-E94 HydrophobicContact CG1-CB 3.99Å; I34-E94 HydrophobicContact CG1-CG 3.85Å; I34-K97 HydrophobicContact CD1-CB 3.54Å; I34-K97 HydrophobicContact CD1-CG 4.1Å; I34-W114 HydrophobicContact CD1-CD2 3.95Å; I34-W114 HydrophobicContact CD1-CE3 3.61Å; I34-W114 HydrophobicContact CD1-CH2 3.54Å; I34-W114 HydrophobicContact CD1-CZ2 3.88Å; I34-W114 HydrophobicContact CD1-CZ3 3.4Å; I34-W114 VanDerWaalsContact CD1-CZ3 3.4Å; I34-W114 HydrophobicContact CG1-CH2 3.71Å; I34-W114 HydrophobicContact CG1-CZ2 3.74Å; I34-W114 HydrophobicContact CG1-CZ3 4.13Å; I34-W114 HydrophobicContact CG2-CD2 4.41Å; I34-W114 HydrophobicContact CG2-CZ2 4.3Å
35K92.5Very high92.7Very high127 Ų12750.6 Ų50.655%0.55231%0.308SS*.G310 helixtrans-83.4-10.6179.1-63.9170.4-175.2154.90112.7S31 D32 K33S31-K35 VanDerWaalsContact O-CD 3.23Å; S31-K35 WeakPolarHBondContact O-CD 3.33Å; S31-K35 WeakPolarHBondContact O-CE 3.44Å; S31-K35 WeakPolarHBondContact O-CG 3.25Å; S31-K35 PolarHBondContact O-NZ 3.09Å; D32-K35 PolarHBondContact O-N 3.29Å; K33-K35 PolarHBondContact O-N 3.41Å
36I94Very high93.5Very high93 Ų9346.8 Ų46.848%0.47728%0.282SS..SBendtrans-67132.1-179.5-61.9175.9000109.3K33 I34 G38 F39K33-I36 HydrophobicContact CG-CD1 4.2Å; K33-I36 VanDerWaalsContact O-CB 3.32Å; K33-I36 WeakPolarHBondContact O-CB 3.49Å; K33-I36 WeakPolarHBondContact O-CG1 3.39Å; K33-I36 PolarHBondContact O-N 3.21Å; K33-I36 VanDerWaalsContact O-N 3.07Å; I34-I36 VanDerWaalsContact C-N 3.34Å; I36-G38 PolarHBondContact O-N 3.33Å; I36-F39 VanDerWaalsContact O-CB 3.24Å; I36-F39 WeakPolarHBondContact O-CB 3.31Å; I36-F39 PolarHBondContact O-N 3.18Å; I36-F39 VanDerWaalsContact O-N 3.09Å
37P93.7Very high94Very high126 Ų12642.4 Ų42.482%0.81826%0.258SS*.THydrogen-bonded Turntrans-55.9131.9174.3-25.934.9000111.8F39P37-F39 VanDerWaalsContact C-N 3.31Å
38G94.1Very high93.9Very high78 Ų7848.1 Ų48.180%0.80428%0.284SS*.THydrogen-bonded Turntrans83.8-1.5-177.900000115I36 S40I36-G38 PolarHBondContact O-N 3.33Å; G38-S40 PolarHBondContact O-N 3.04Å
39F97.3Very high93.7Very high11 Ų1148.8 Ų48.85%0.04829%0.288CS..  trans-56.6133.4167.7-176.8-86.2000110.1W30 K33 I34 I36 P37 A41 R92 E94 W410 V460W30-F39 AromaticContact CE3-CE2 3.92Å; W30-F39 HydrophobicContact CE3-CE2 3.92Å; W30-F39 AromaticContact CE3-CZ 3.93Å; W30-F39 HydrophobicContact CE3-CZ 3.93Å; W30-F39 AromaticContact CZ3-CE2 3.74Å; W30-F39 HydrophobicContact CZ3-CE2 3.74Å; W30-F39 AromaticContact CZ3-CZ 3.95Å; W30-F39 HydrophobicContact CZ3-CZ 3.95Å; K33-F39 HydrophobicContact CG-CD2 4.07Å; K33-F39 HydrophobicContact CG-CE2 3.99Å; K33-F39 WeakPolarHBondContact O-CD2 3.45Å; I34-F39 HydrophobicContact CB-CD1 4.44Å; I34-F39 HydrophobicContact CB-CE1 4.31Å; I34-F39 HydrophobicContact CG1-CD1 3.96Å; I34-F39 HydrophobicContact CG1-CE1 3.81Å; I34-F39 HydrophobicContact CG1-CZ 4.47Å; I36-F39 VanDerWaalsContact O-CB 3.24Å; I36-F39 WeakPolarHBondContact O-CB 3.31Å; I36-F39 PolarHBondContact O-N 3.18Å; I36-F39 VanDerWaalsContact O-N 3.09Å; P37-F39 VanDerWaalsContact C-N 3.31Å; F39-A41 HydrophobicContact CE1-CB 3.96Å; F39-A41 HydrophobicContact CZ-CB 4.35Å; F39-R92 PolarHBondContact O-NH2 2.76Å; F39-E94 HydrophobicContact CD1-CG 4.23Å; F39-E94 HydrophobicContact CE1-CB 4.11Å; F39-E94 HydrophobicContact CE1-CG 4.16Å; F39-E94 WeakPolarHBondContact CE1-OE2 3.37Å; F39-W410 AromaticContact CD2-CD1 3.63Å; F39-W410 HydrophobicContact CD2-CG 4.03Å; F39-W410 AromaticContact CD2-NE1 3.89Å; F39-W410 HydrophobicContact CE2-CB 3.8Å; F39-W410 AromaticContact CE2-CD1 3.55Å; F39-W410 HydrophobicContact CE2-CD2 4.02Å; F39-W410 AromaticContact CE2-CG 3.47Å; F39-W410 HydrophobicContact CE2-CG 3.47Å; F39-W410 VanDerWaalsContact CE2-CG 3.47Å; F39-W410 HydrophobicContact CZ-CB 3.78Å; F39-W410 AromaticContact CZ-CG 3.98Å; F39-W410 HydrophobicContact CZ-CG 3.98Å; F39-V460 HydrophobicContact CZ-CG2 4.31Å
40S97.2Very high93.6Very high45 Ų4545.6 Ų45.632%0.31527%0.267SS..  trans-145.5120.4172.6178.30000108.3G38 E94 Q409 W410G38-S40 PolarHBondContact O-N 3.04Å; S40-E94 WeakPolarHBondContact CA-OE2 3.49Å; S40-Q409 CarbonylContact O-C 3.54Å; S40-Q409 VanDerWaalsContact O-CA 3.24Å; S40-Q409 WeakPolarHBondContact O-CA 3.39Å; S40-W410 PolarHBondContact O-N 3.41Å
41A97.9Very high93.3Very high7 Ų745.4 Ų45.46%0.05827%0.266CS..BIsolated β-bridgetrans-86.6150.2172.200000110.6F39 E94 W410 V460F39-A41 HydrophobicContact CE1-CB 3.96Å; F39-A41 HydrophobicContact CZ-CB 4.35Å; A41-E94 HydrophobicContact CB-CB 4.05Å; A41-E94 WeakPolarHBondContact CB-OE2 3.47Å; A41-E94 PolarHBondContact N-OE2 3.43Å; A41-W410 CarbonylContact C-O 3.57Å; A41-W410 VanDerWaalsContact CA-O 3.28Å; A41-W410 WeakPolarHBondContact CA-O 3.2Å; A41-V460 HydrophobicContact CB-CB 3.87Å; A41-V460 HydrophobicContact CB-CG2 3.54Å
42A97.2Very high93.2Very high0 Ų043.7 Ų43.70%025%0.253CS..PPolyproline II helixtrans-62132.3166.900000109.4F47 F405 Q409 W410A42-F47 HydrophobicContact CB-CE2 3.57Å; A42-F47 HydrophobicContact CB-CZ 3.67Å; A42-F405 HydrophobicContact CB-CD1 3.98Å; A42-F405 HydrophobicContact CB-CE1 3.87Å; A42-Q409 HydrophobicContact CB-CB 4.15Å; A42-W410 PolarHBondContact N-O 3.05Å
43P95.3Very high93.1Very high29 Ų2938.2 Ų38.219%0.18823%0.225CC..PPolyproline II helixtrans-68.2150-177.129.3-35.1000110.8S45 A46 F47P43-S45 PolarHBondContact O-N 3Å; P43-S45 VanDerWaalsContact O-N 3.16Å; P43-A46 HydrophobicContact CG-CB 4.16Å; P43-A46 WeakPolarHBondContact O-CB 3.48Å; P43-A46 PolarHBondContact O-N 3.14Å; P43-F47 VanDerWaalsContact O-CD2 3.25Å; P43-F47 WeakPolarHBondContact O-CD2 3.42Å; P43-F47 WeakPolarHBondContact O-CE2 3.39Å
44V94.9Very high92.7Very high6 Ų642.3 Ų42.34%0.03626%0.258CS..G310 helixtrans-58-32.6179.5-173.30000111.7A46 F47 P51 A53 G95 Y96 P459V44-A46 PolarHBondContact O-N 3.07Å; V44-F47 PolarHBondContact O-N 3.36Å; V44-P51 WeakPolarHBondContact CG1-O 3.41Å; V44-A53 HydrophobicContact CG1-CB 4.34Å; V44-A53 WeakPolarHBondContact O-CB 3.44Å; V44-G95 VanDerWaalsContact CG2-C 3.4Å; V44-G95 WeakPolarHBondContact CG2-O 3.46Å; V44-Y96 HydrophobicContact CB-CE1 4.45Å; V44-Y96 HydrophobicContact CG1-CD1 4.41Å; V44-Y96 HydrophobicContact CG1-CE1 3.61Å; V44-Y96 HydrophobicContact CG1-CE2 4.43Å; V44-Y96 HydrophobicContact CG2-CD1 3.88Å; V44-Y96 HydrophobicContact CG2-CD2 4.49Å; V44-Y96 HydrophobicContact CG2-CE1 3.91Å; V44-Y96 HydrophobicContact CG2-CG 4.19Å; V44-P459 HydrophobicContact CB-CG 4.27Å; V44-P459 HydrophobicContact CG1-CG 4.06Å; V44-P459 HydrophobicContact CG2-CB 4.02Å; V44-P459 HydrophobicContact CG2-CG 4.18Å
45S92.9Very high92.2Very high38 Ų3843.5 Ų43.527%0.26627%0.266SS..G310 helixtrans-62.5-18.4176.246.50000114.5P43 F47 S56 D57P43-S45 PolarHBondContact O-N 3Å; P43-S45 VanDerWaalsContact O-N 3.16Å; S45-F47 PolarHBondContact O-N 3.26Å; S45-S56 PolarHBondContact N-OG 3.39Å; S45-D57 WeakPolarHBondContact CB-OD2 3.31Å; S45-D57 PolarHBondContact OG-OD2 2.87Å; S45-D57 VanDerWaalsContact OG-OD2 3.11Å
46A94.9Very high91.9Very high2 Ų237.9 Ų37.92%0.01724%0.242CC..G310 helixtrans-77.8-7.6173.300000113.5P43 V44 F405P43-A46 HydrophobicContact CG-CB 4.16Å; P43-A46 WeakPolarHBondContact O-CB 3.48Å; P43-A46 PolarHBondContact O-N 3.14Å; V44-A46 PolarHBondContact O-N 3.07Å; A46-F405 HydrophobicContact CB-CD1 4.18Å; A46-F405 HydrophobicContact CB-CE1 3.75Å; A46-F405 HydrophobicContact CB-CE2 4.16Å; A46-F405 HydrophobicContact CB-CZ 3.74Å; A46-F405 WeakPolarHBondContact O-CZ 3.16Å
47F94Very high91.5Very high3 Ų336.3 Ų36.31%0.01324%0.235CC..  trans-118.681.2-177.4-55.2-96.4000109.7A42 P43 V44 S45 H49 C50 A53 F405 L411 I457 Y458 P459A42-F47 HydrophobicContact CB-CE2 3.57Å; A42-F47 HydrophobicContact CB-CZ 3.67Å; P43-F47 VanDerWaalsContact O-CD2 3.25Å; P43-F47 WeakPolarHBondContact O-CD2 3.42Å; P43-F47 WeakPolarHBondContact O-CE2 3.39Å; V44-F47 PolarHBondContact O-N 3.36Å; S45-F47 PolarHBondContact O-N 3.26Å; F47-H49 PolarHBondContact O-N 3.41Å; F47-H49 VanDerWaalsContact O-N 3.1Å; F47-C50 HydrophobicContact CB-CB 3.84Å; F47-C50 VanDerWaalsContact O-CB 3.3Å; F47-C50 WeakPolarHBondContact O-CB 3.38Å; F47-C50 PolarHBondContact O-N 3.19Å; F47-A53 WeakPolarHBondContact O-CB 3.42Å; F47-F405 HydrophobicContact CD1-CZ 4.27Å; F47-F405 AromaticContact CE1-CE1 3.98Å; F47-F405 HydrophobicContact CE1-CE1 3.98Å; F47-F405 HydrophobicContact CE1-CZ 4Å; F47-F405 HydrophobicContact CE2-CE1 4.05Å; F47-F405 HydrophobicContact CE2-CZ 4.48Å; F47-F405 AromaticContact CZ-CE1 3.68Å; F47-F405 HydrophobicContact CZ-CE1 3.68Å; F47-F405 HydrophobicContact CZ-CZ 4.14Å; F47-L411 HydrophobicContact CE1-CD2 4.48Å; F47-L411 HydrophobicContact CZ-CB 3.97Å; F47-L411 HydrophobicContact CZ-CD2 4.25Å; F47-I457 HydrophobicContact CD1-CD1 4.48Å; F47-I457 HydrophobicContact CD1-CG1 4.1Å; F47-I457 WeakPolarHBondContact CD1-O 3.36Å; F47-I457 HydrophobicContact CE1-CB 4.13Å; F47-I457 HydrophobicContact CE1-CD1 4.13Å; F47-I457 HydrophobicContact CE1-CG1 3.92Å; F47-Y458 VanDerWaalsContact CE1-C 3.48Å; F47-P459 HydrophobicContact CB-CG 4.1Å; F47-P459 HydrophobicContact CD2-CB 4.05Å; F47-P459 HydrophobicContact CD2-CG 3.46Å; F47-P459 VanDerWaalsContact CD2-CG 3.46Å; F47-P459 HydrophobicContact CE2-CB 3.97Å; F47-P459 HydrophobicContact CE2-CG 3.88Å; F47-P459 HydrophobicContact CG-CG 3.81Å
48E89Confident91.2Very high141 Ų14134.1 Ų34.166%0.65922%0.216SC*.THydrogen-bonded Turntrans-55.2-34.8-173.9-171.2-176.717900113.6C50E48-C50 PolarHBondContact O-N 3.33Å
49H87.7Confident90.9Very high50 Ų5030.8 Ų30.823%0.23118%0.179CC..THydrogen-bonded Turntrans-72.6-11.5179.867.4-89000113.4F47 S454 I457 Y458F47-H49 PolarHBondContact O-N 3.41Å; F47-H49 VanDerWaalsContact O-N 3.1Å; H49-S454 PolarHBondContact CE1-O 3.28Å; H49-I457 PolarHBondContact CE1-O 3.44Å; H49-I457 PolarHBondContact NE2-O 2.64Å; H49-I457 VanDerWaalsContact NE2-O 3.12Å; H49-Y458 AromaticContact NE2-CD1 3.61Å; H49-Y458 AromaticContact NE2-CE1 3.64Å
50C91.1Very high90.4Very high3 Ų337.4 Ų37.42%0.0220%0.204CC..SBendtrans-88.7146.3-175.9-80.70000112.9F47 E48 A53 Y96 P459F47-C50 HydrophobicContact CB-CB 3.84Å; F47-C50 VanDerWaalsContact O-CB 3.3Å; F47-C50 WeakPolarHBondContact O-CB 3.38Å; F47-C50 PolarHBondContact O-N 3.19Å; E48-C50 PolarHBondContact O-N 3.33Å; C50-A53 WeakPolarHBondContact O-CB 3.29Å; C50-A53 PolarHBondContact O-N 3.49Å; C50-Y96 WeakPolarHBondContact CB-OH 3.5Å; C50-P459 HydrophobicContact CB-CG 4.22Å; C50-P459 WeakPolarHBondContact SG-CD 3.42Å
51P87.2Confident89.8Confident2 Ų242.9 Ų42.91%0.01322%0.219CC..THydrogen-bonded Turntrans-52.1144174.2-24.330.5000112.6V44 A53 Y96 R173 C174 M465V44-P51 WeakPolarHBondContact CG1-O 3.41Å; P51-A53 PolarHBondContact O-N 2.94Å; P51-Y96 WeakPolarHBondContact CD-OH 3.43Å; P51-Y96 WeakPolarHBondContact O-CE1 3.24Å; P51-Y96 PolarHBondContact O-OH 3.06Å; P51-R173 HydrophobicContact CB-CB 3.79Å; P51-R173 HydrophobicContact CG-CB 3.76Å; P51-C174 WeakPolarHBondContact CG-SG 3.35Å; P51-M465 HydrophobicContact CB-CE 4.26Å; P51-M465 HydrophobicContact CB-SD 4.39Å; P51-M465 HydrophobicContact CG-CE 3.69Å; P51-M465 HydrophobicContact CG-SD 4.39Å
52F86.4Confident89Confident4 Ų446.5 Ų46.52%0.01824%0.244CC..THydrogen-bonded Turntrans65.44.1174.8-162.2-115.1000115.7S54 C55 S56 L59 Y96 I117 L162 H166F52-S54 PolarHBondContact O-N 2.86Å; F52-C55 HydrophobicContact CD2-CB 3.78Å; F52-C55 HydrophobicContact CE2-CB 3.59Å; F52-C55 HydrophobicContact CG-CB 4.49Å; F52-C55 HydrophobicContact CZ-CB 4.17Å; F52-C55 CarbonylContact O-C 3.58Å; F52-C55 PolarHBondContact O-N 3.23Å; F52-C55 VanDerWaalsContact O-N 3.07Å; F52-S56 WeakPolarHBondContact O-CB 3.43Å; F52-S56 PolarHBondContact O-N 2.88Å; F52-L59 HydrophobicContact CE1-CD1 3.91Å; F52-L59 HydrophobicContact CE1-CG 4.14Å; F52-L59 HydrophobicContact CZ-CG 4.4Å; F52-Y96 HydrophobicContact CB-CE1 4.43Å; F52-I117 HydrophobicContact CD1-CG2 4.41Å; F52-I117 HydrophobicContact CE1-CG2 4.39Å; F52-L162 HydrophobicContact CE2-CD2 4.3Å; F52-L162 HydrophobicContact CZ-CD2 3.82Å; F52-H166 AromaticContact CD2-CE1 3.8Å; F52-H166 AromaticContact CD2-ND1 3.62Å; F52-H166 AromaticContact CE2-CE1 3.66Å; F52-H166 AromaticContact CE2-ND1 3.34Å; F52-H166 VanDerWaalsContact CE2-ND1 3.34Å; F52-H166 WeakPolarHBondContact CE2-ND1 3.32Å
53A88.1Confident88.8Confident9 Ų946.6 Ų46.67%0.07425%0.245CC..G310 helixtrans-52.1-49.9179.600000113.2V44 F47 C50 P51 C55 S56V44-A53 HydrophobicContact CG1-CB 4.34Å; V44-A53 WeakPolarHBondContact O-CB 3.44Å; F47-A53 WeakPolarHBondContact O-CB 3.42Å; C50-A53 WeakPolarHBondContact O-CB 3.29Å; C50-A53 PolarHBondContact O-N 3.49Å; P51-A53 PolarHBondContact O-N 2.94Å; A53-C55 PolarHBondContact O-N 3.34Å; A53-S56 PolarHBondContact O-N 3.05Å; A53-S56 PolarHBondContact O-OG 3.48Å
54S85.4Confident88.8Confident113 Ų11346.4 Ų46.479%0.7924%0.241SC*.G310 helixtrans-65.6-18.4-179.161.20000115F52F52-S54 PolarHBondContact O-N 2.86Å
55C85.3Confident88.8Confident27 Ų2746.1 Ų46.118%0.18224%0.239CC..G310 helixtrans-116-7.6-174.8-62.80000112.6F52 A53 D57 L58F52-C55 HydrophobicContact CD2-CB 3.78Å; F52-C55 HydrophobicContact CE2-CB 3.59Å; F52-C55 HydrophobicContact CG-CB 4.49Å; F52-C55 HydrophobicContact CZ-CB 4.17Å; F52-C55 CarbonylContact O-C 3.58Å; F52-C55 PolarHBondContact O-N 3.23Å; F52-C55 VanDerWaalsContact O-N 3.07Å; A53-C55 PolarHBondContact O-N 3.34Å; C55-D57 VanDerWaalsContact C-N 3.27Å; C55-D57 PolarHBondContact O-N 2.87Å; C55-L58 HydrophobicContact CB-CD1 4.04Å; C55-L58 WeakPolarHBondContact O-CB 3.29Å; C55-L58 VanDerWaalsContact O-CG 3.28Å; C55-L58 WeakPolarHBondContact O-CG 3.19Å; C55-L58 PolarHBondContact O-N 2.84Å
56S86.5Confident89Confident8 Ų844.6 Ų44.66%0.05623%0.228CC..G310 helixtrans-61-34.6-172.662.30000113.6S45 F52 A53 L58 L59S45-S56 PolarHBondContact N-OG 3.39Å; F52-S56 WeakPolarHBondContact O-CB 3.43Å; F52-S56 PolarHBondContact O-N 2.88Å; A53-S56 PolarHBondContact O-N 3.05Å; A53-S56 PolarHBondContact O-OG 3.48Å; S56-L58 PolarHBondContact O-N 2.91Å; S56-L59 WeakPolarHBondContact O-CB 3.2Å; S56-L59 WeakPolarHBondContact O-CG 3.34Å; S56-L59 PolarHBondContact O-N 3.21Å
57D85.5Confident89Confident61 Ų6144.5 Ų44.533%0.32623%0.227SC..G310 helixtrans-70.1-15.2178.5-70.2-42.8000113.5S45 C55 L59 R60 Y61S45-D57 WeakPolarHBondContact CB-OD2 3.31Å; S45-D57 PolarHBondContact OG-OD2 2.87Å; S45-D57 VanDerWaalsContact OG-OD2 3.11Å; C55-D57 VanDerWaalsContact C-N 3.27Å; C55-D57 PolarHBondContact O-N 2.87Å; D57-L59 PolarHBondContact O-N 2.68Å; D57-R60 WeakPolarHBondContact O-CB 3.36Å; D57-R60 PolarHBondContact O-N 2.59Å; D57-R60 VanDerWaalsContact O-N 3.07Å; D57-R60 IonicContact OD1-CZ 3.11Å; D57-R60 VanDerWaalsContact OD1-CZ 3.22Å; D57-R60 IonicContact OD1-NE 3.27Å; D57-R60 PolarHBondContact OD1-NE 3.32Å; D57-R60 IonicContact OD1-NH2 3.43Å; D57-R60 PolarHBondContact OD1-NH2 2.9Å; D57-Y61 WeakPolarHBondContact O-CD2 3.44Å; D57-Y61 WeakPolarHBondContact O-CE2 3.5Å
58L86.4Confident89Confident79 Ų7945.7 Ų45.741%0.41424%0.235SC..G310 helixtrans-56.9-33.2171.4-66.1174.9000111.5C55 S56 R60 Y61 V63 P163C55-L58 HydrophobicContact CB-CD1 4.04Å; C55-L58 WeakPolarHBondContact O-CB 3.29Å; C55-L58 VanDerWaalsContact O-CG 3.28Å; C55-L58 WeakPolarHBondContact O-CG 3.19Å; C55-L58 PolarHBondContact O-N 2.84Å; S56-L58 PolarHBondContact O-N 2.91Å; L58-R60 PolarHBondContact O-N 3.31Å; L58-R60 VanDerWaalsContact O-N 3.1Å; L58-Y61 PolarHBondContact O-N 2.87Å; L58-Y61 VanDerWaalsContact O-N 3.1Å; L58-V63 VanDerWaalsContact O-CG1 3.24Å; L58-V63 WeakPolarHBondContact O-CG1 3.48Å; L58-P163 HydrophobicContact CD1-CG 4.42Å
59L88.8Confident89.2Confident8 Ų839.3 Ų39.34%0.04221%0.205CC..G310 helixtrans-63.2-18.7-179.3-61.4178.6000113.3F52 S56 D57 Y61 V63 P90 L93 V98 I117 L162F52-L59 HydrophobicContact CE1-CD1 3.91Å; F52-L59 HydrophobicContact CE1-CG 4.14Å; F52-L59 HydrophobicContact CZ-CG 4.4Å; S56-L59 WeakPolarHBondContact O-CB 3.2Å; S56-L59 WeakPolarHBondContact O-CG 3.34Å; S56-L59 PolarHBondContact O-N 3.21Å; D57-L59 PolarHBondContact O-N 2.68Å; L59-Y61 VanDerWaalsContact C-N 3.3Å; L59-Y61 PolarHBondContact O-N 2.96Å; L59-V63 HydrophobicContact CD2-CG2 3.82Å; L59-P90 HydrophobicContact CD2-CG 4.33Å; L59-L93 HydrophobicContact CB-CD1 3.73Å; L59-L93 HydrophobicContact CB-CD2 3.72Å; L59-L93 HydrophobicContact CB-CG 4.36Å; L59-L93 HydrophobicContact CD1-CD2 3.67Å; L59-L93 HydrophobicContact CG-CD2 4.37Å; L59-V98 HydrophobicContact CD1-CG2 4.17Å; L59-I117 HydrophobicContact CD1-CB 4.46Å; L59-I117 HydrophobicContact CD1-CD1 4.31Å; L59-I117 HydrophobicContact CD1-CG1 3.93Å; L59-I117 HydrophobicContact CD1-CG2 4.36Å; L59-I117 HydrophobicContact CD2-CD1 4.12Å; L59-I117 HydrophobicContact CD2-CG1 4.23Å; L59-L162 HydrophobicContact CD2-CD2 3.78Å
60R85.9Confident89.2Confident151 Ų15140.9 Ų40.957%0.5722%0.218SC*.G310 helixtrans-75.6-17.2177.9-59.1-176.9-167.1-152.16.6113D57 L58 S62 L93D57-R60 WeakPolarHBondContact O-CB 3.36Å; D57-R60 PolarHBondContact O-N 2.59Å; D57-R60 VanDerWaalsContact O-N 3.07Å; D57-R60 IonicContact OD1-CZ 3.11Å; D57-R60 VanDerWaalsContact OD1-CZ 3.22Å; D57-R60 IonicContact OD1-NE 3.27Å; D57-R60 PolarHBondContact OD1-NE 3.32Å; D57-R60 IonicContact OD1-NH2 3.43Å; D57-R60 PolarHBondContact OD1-NH2 2.9Å; L58-R60 PolarHBondContact O-N 3.31Å; L58-R60 VanDerWaalsContact O-N 3.1Å; R60-S62 VanDerWaalsContact C-N 3.34Å; R60-S62 PolarHBondContact O-N 2.81Å; R60-L93 HydrophobicContact CG-CD1 3.58Å
61Y85.1Confident88.9Confident160 Ų16043.1 Ų43.163%0.62723%0.23SC*.SBendtrans-95.542.2-173.4-59.9-80.8000113.5D57 L58 L59 V63D57-Y61 WeakPolarHBondContact O-CD2 3.44Å; D57-Y61 WeakPolarHBondContact O-CE2 3.5Å; L58-Y61 PolarHBondContact O-N 2.87Å; L58-Y61 VanDerWaalsContact O-N 3.1Å; L59-Y61 VanDerWaalsContact C-N 3.3Å; L59-Y61 PolarHBondContact O-N 2.96Å; Y61-V63 PolarHBondContact O-N 3.31Å; Y61-V63 VanDerWaalsContact O-N 3.16Å
62S81.8Confident88.6Confident82 Ų8246.2 Ų46.257%0.57324%0.242SC*.  trans49.941.1177.1-59.80000114.3R60R60-S62 VanDerWaalsContact C-N 3.34Å; R60-S62 PolarHBondContact O-N 2.81Å
63V92.4Very high88Confident3 Ų350.8 Ų50.82%0.01827%0.27CS..  trans-61.2149.4175.7-63.70000111.3L58 L59 Y61 P90 Y160L58-V63 VanDerWaalsContact O-CG1 3.24Å; L58-V63 WeakPolarHBondContact O-CG1 3.48Å; L59-V63 HydrophobicContact CD2-CG2 3.82Å; Y61-V63 PolarHBondContact O-N 3.31Å; Y61-V63 VanDerWaalsContact O-N 3.16Å; V63-P90 HydrophobicContact CG2-CG 3.74Å; V63-P90 WeakPolarHBondContact O-CD 3.13Å; V63-Y160 CarbonylContact C-O 3.48Å; V63-Y160 VanDerWaalsContact CA-O 3.27Å; V63-Y160 WeakPolarHBondContact CA-O 3.26Å
64K95Very high87.1Confident24 Ų2452.4 Ų52.410%0.10428%0.279CS..BIsolated β-bridgetrans-102.5139.1171.7-55.4-56.6175.3-172.60109I87 T89 E103 V125 L155 L156 Y160 S161K64-I87 HydrophobicContact CB-CG2 3.91Å; K64-I87 HydrophobicContact CD-CG2 4.42Å; K64-T89 WeakPolarHBondContact CD-OG1 3.11Å; K64-T89 PolarHBondContact NZ-OG1 2.91Å; K64-E103 WeakPolarHBondContact CD-OE1 3.22Å; K64-E103 IonicContact NZ-OE1 3.15Å; K64-E103 PolarHBondContact NZ-OE1 2.95Å; K64-E103 IonicContact NZ-OE2 3.79Å; K64-V125 HydrophobicContact CB-CG2 3.64Å; K64-V125 WeakPolarHBondContact O-CG2 3.39Å; K64-L155 HydrophobicContact CD-CD1 4.46Å; K64-L156 HydrophobicContact CB-CD2 4.02Å; K64-L156 HydrophobicContact CG-CD2 4.06Å; K64-Y160 PolarHBondContact N-O 2.85Å; K64-S161 WeakPolarHBondContact O-CA 3.3Å; K64-S161 PolarHBondContact O-OG 2.96Å
65I96.1Very high86.3Confident0 Ų053.4 Ų53.40%028%0.275CS..EExtended strand (participates in β ladder)trans-136.6151.817960.6173.2000110.3V67 I87 A88 L100 I117 V122 H123 L162I65-V67 HydrophobicContact CD1-CG1 3.71Å; I65-V67 HydrophobicContact CG1-CG1 3.99Å; I65-I87 CarbonylContact O-C 3.51Å; I65-I87 VanDerWaalsContact O-CA 3.3Å; I65-I87 WeakPolarHBondContact O-CA 3.33Å; I65-A88 HydrophobicContact CG1-CB 4.39Å; I65-A88 WeakPolarHBondContact CG1-O 3.29Å; I65-A88 PolarHBondContact N-O 3.34Å; I65-A88 PolarHBondContact O-N 2.92Å; I65-L100 HydrophobicContact CD1-CD1 3.96Å; I65-L100 HydrophobicContact CD1-CD2 3.53Å; I65-L100 HydrophobicContact CD1-CG 4.42Å; I65-L100 HydrophobicContact CG1-CD2 4.41Å; I65-I117 HydrophobicContact CD1-CD1 3.99Å; I65-V122 HydrophobicContact CD1-CG1 4.07Å; I65-H123 WeakPolarHBondContact CA-O 3.45Å; I65-L162 HydrophobicContact CB-CD1 4.45Å; I65-L162 HydrophobicContact CG2-CD1 3.6Å; I65-L162 HydrophobicContact CG2-CG 3.64Å
66E96.5Very high85.2Confident7 Ų761.4 Ų61.43%0.03331%0.31CS..EExtended strand (participates in β ladder)trans-94.6124.9171.2-70176.1-169.800109.1H123 T126 W127 C128 L135E66-H123 HydrophobicContact CB-CB 4.19Å; E66-H123 PolarHBondContact N-O 2.8Å; E66-H123 PolarHBondContact O-N 3.43Å; E66-T126 PolarHBondContact OE1-N 2.96Å; E66-W127 PolarHBondContact OE2-N 3.01Å; E66-C128 WeakPolarHBondContact OE2-CB 3.02Å; E66-C128 PolarHBondContact OE2-N 3.44Å; E66-C128 PolarHBondContact OE2-SG 2.81Å; E66-L135 HydrophobicContact CG-CD1 4.14Å
67V95.7Very high84.1Confident0 Ų067 Ų670%034%0.336CS..EExtended strand (participates in β ladder)trans-136.1156.5-179.4-65.40000110.7I65 N69 Y85 W86 A88 L100 Y102 F113 M115 V122I65-V67 HydrophobicContact CD1-CG1 3.71Å; I65-V67 HydrophobicContact CG1-CG1 3.99Å; V67-N69 PolarHBondContact O-N 3.03Å; V67-Y85 CarbonylContact O-C 3.59Å; V67-Y85 WeakPolarHBondContact O-CA 3.31Å; V67-Y85 WeakPolarHBondContact O-CB 3.37Å; V67-Y85 WeakPolarHBondContact O-CD1 3.33Å; V67-W86 PolarHBondContact N-O 3.03Å; V67-W86 PolarHBondContact O-N 2.84Å; V67-A88 HydrophobicContact CG2-CB 3.59Å; V67-L100 HydrophobicContact CG1-CD1 3.89Å; V67-L100 HydrophobicContact CG2-CD1 4.42Å; V67-Y102 HydrophobicContact CG2-CD1 4.45Å; V67-Y102 HydrophobicContact CG2-CE1 3.93Å; V67-F113 HydrophobicContact CG2-CE2 4.37Å; V67-F113 HydrophobicContact CG2-CZ 3.87Å; V67-M115 HydrophobicContact CB-SD 4.01Å; V67-M115 HydrophobicContact CG1-SD 3.96Å; V67-V122 HydrophobicContact CG1-CG2 4.06Å
68P94Very high83Confident28 Ų2869.1 Ų69.118%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-58.2133.7-173.8-24.935.3000110.9T70 C84 Y85 Y102 D121P68-T70 PolarHBondContact O-N 3.28Å; P68-C84 WeakPolarHBondContact CA-O 3.12Å; P68-Y85 HydrophobicContact CB-CE1 4.48Å; P68-Y85 HydrophobicContact CG-CD1 4.4Å; P68-Y85 HydrophobicContact CG-CE1 3.86Å; P68-Y102 PolarHBondContact O-OH 2.92Å; P68-D121 WeakPolarHBondContact CD-O 2.95Å; P68-D121 HydrophobicContact CG-CB 3.57Å
69N92.4Very high81.9Confident7 Ų774.7 Ų74.74%0.03737%0.374CS..  trans-85.997.6175.3-176.6-6.2000109.7V67 D71 Y72 C84 W86 K136 P137 P138V67-N69 PolarHBondContact O-N 3.03Å; N69-D71 VanDerWaalsContact C-N 3.29Å; N69-D71 PolarHBondContact O-N 2.84Å; N69-D71 PolarHBondContact OD1-N 3.27Å; N69-D71 VanDerWaalsContact OD1-N 3.11Å; N69-Y72 WeakPolarHBondContact ND2-CB 3.42Å; N69-Y72 PolarHBondContact O-N 3.29Å; N69-Y72 PolarHBondContact OD1-N 2.95Å; N69-C84 PolarHBondContact N-O 3.36Å; N69-W86 HydrophobicContact CB-CB 4.13Å; N69-K136 PolarHBondContact ND2-O 2.92Å; N69-P137 VanDerWaalsContact ND2-C 3.27Å; N69-P137 PolarHBondContact ND2-O 2.89Å; N69-P138 WeakPolarHBondContact ND2-CA 3.43Å; N69-P138 VanDerWaalsContact ND2-N 3.18Å
70T87Confident80.6Confident82 Ų8280.3 Ų80.350%0.50340%0.398SS..THydrogen-bonded Turntrans-76-16.2-178.155.50000113.8T10 P68 Y72 Y102T10-T70 HydrophobicContact CG2-CG2 3.47Å; T10-T70 VanDerWaalsContact CG2-CG2 3.47Å; P68-T70 PolarHBondContact O-N 3.28Å; T70-Y72 VanDerWaalsContact C-N 3.28Å; T70-Y102 PolarHBondContact N-OH 3.16Å; T70-Y102 PolarHBondContact OG1-OH 2.72Å
71D85.7Confident79.9Confident50 Ų5079.7 Ų79.727%0.26741%0.411SS..THydrogen-bonded Turntrans-93.714.5176.1-171.934.4000111.6N69 P138 K139 T140N69-D71 VanDerWaalsContact C-N 3.29Å; N69-D71 PolarHBondContact O-N 2.84Å; N69-D71 PolarHBondContact OD1-N 3.27Å; N69-D71 VanDerWaalsContact OD1-N 3.11Å; D71-P138 HydrophobicContact CB-CB 3.99Å; D71-P138 WeakPolarHBondContact OD2-CB 3.38Å; D71-K139 VanDerWaalsContact O-CB 3.29Å; D71-K139 WeakPolarHBondContact O-CB 3.38Å; D71-K139 WeakPolarHBondContact O-CD 3.33Å; D71-K139 WeakPolarHBondContact O-CG 3.41Å; D71-K139 PolarHBondContact O-N 2.93Å; D71-K139 PolarHBondContact OD2-N 2.88Å; D71-K139 VanDerWaalsContact OD2-N 3.08Å; D71-T140 VanDerWaalsContact OD2-CB 3.26Å; D71-T140 WeakPolarHBondContact OD2-CB 3.47Å; D71-T140 PolarHBondContact OD2-N 2.86Å; D71-T140 PolarHBondContact OD2-OG1 2.83Å
72Y80.9Confident79.5Confident68 Ų6872.8 Ų72.827%0.26739%0.387SS..  trans-128.7117.9176.4-165.1-81.3000110.6N69 T70 V74 C84 K136 K139N69-Y72 WeakPolarHBondContact ND2-CB 3.42Å; N69-Y72 PolarHBondContact O-N 3.29Å; N69-Y72 PolarHBondContact OD1-N 2.95Å; T70-Y72 VanDerWaalsContact C-N 3.28Å; Y72-V74 HydrophobicContact CD1-CG2 4.08Å; Y72-V74 HydrophobicContact CE1-CG2 4.19Å; Y72-C84 HydrophobicContact CD1-CB 4Å; Y72-K136 HydrophobicContact CD2-CB 4.04Å; Y72-K136 HydrophobicContact CE2-CB 3.97Å; Y72-K136 HydrophobicContact CE2-CD 4.44Å; Y72-K136 HydrophobicContact CE2-CG 4.14Å; Y72-K136 HydrophobicContact CG-CB 4.46Å; Y72-K139 HydrophobicContact CD2-CG 4.2Å
73V72.6Confident79.6Confident99 Ų9971.9 Ų71.960%0.638%0.381SS*.  trans-93.2115.7172.8-176.80000106.9
74V69.7Low79.5Confident44 Ų4472.2 Ų72.227%0.26738%0.383SS..  trans-74.1126.9169.5-174.90000107Y72 E76 C84Y72-V74 HydrophobicContact CD1-CG2 4.08Å; Y72-V74 HydrophobicContact CE1-CG2 4.19Å; V74-E76 PolarHBondContact O-N 2.56Å; V74-C84 HydrophobicContact CG2-CB 3.68Å
75D68.6Low79.5Confident133 Ų13371.6 Ų71.671%0.71138%0.38SS*.  trans-59.7122.1171.3-65.4-40.8000108.1E77D75-E77 PolarHBondContact O-N 2.84Å
76E62.4Low79.5Confident195 Ų19571.7 Ų71.791%0.91138%0.381SS*.  trans-65.498.6-177.2-70.7-171.3170.700109.8V74V74-E76 PolarHBondContact O-N 2.56Å
77E64.4Low79.5Confident127 Ų12771.4 Ų71.459%0.59338%0.379SS*.  trans-90.4132171.3-76.6-65.8158.600109.3D75 F79 F80D75-E77 PolarHBondContact O-N 2.84Å; E77-F79 PolarHBondContact O-N 3.41Å; E77-F80 HydrophobicContact CB-CB 3.83Å; E77-F80 PolarHBondContact O-N 2.81Å
78P61.6Low79.4Confident105 Ų10571.4 Ų71.468%0.68238%0.379SS*.THydrogen-bonded Turntrans-58.8-9.1-169.2-23.331.3000116.2
79F63.4Low79.5Confident195 Ų19570.7 Ų70.786%0.85537%0.374SS*.THydrogen-bonded Turntrans-131.96.3-177.6-54.3-72.9000113.6E77E77-F79 PolarHBondContact O-N 3.41Å
80F62.2Low79.6Confident127 Ų12771 Ų7156%0.55738%0.377SS*.  trans-115101-176.4-137.3-96.9000109.9E77 A82 I134E77-F80 HydrophobicContact CB-CB 3.83Å; E77-F80 PolarHBondContact O-N 2.81Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 HydrophobicContact CD1-CB 3.6Å; F80-A82 HydrophobicContact CE1-CB 3.43Å; F80-A82 VanDerWaalsContact CE1-CB 3.43Å; F80-I134 HydrophobicContact CE1-CD1 4.13Å
81T70.2Confident79.9Confident138 Ų13870.8 Ų70.885%0.84737%0.372SS*.  trans-94.911179.754.30000113.1S83T81-S83 PolarHBondContact O-N 3.48Å
82A76.2Confident80.2Confident15 Ų1572.4 Ų72.412%0.12437%0.374CS..PPolyproline II helixtrans-63.9128.1-179.200000110.2F80 I134F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 HydrophobicContact CD1-CB 3.6Å; F80-A82 HydrophobicContact CE1-CB 3.43Å; F80-A82 VanDerWaalsContact CE1-CB 3.43Å; A82-I134 HydrophobicContact CB-CD1 4.21Å; A82-I134 HydrophobicContact CB-CG1 4.01Å
83S85.6Confident80.9Confident62 Ų6271.5 Ų71.543%0.43437%0.374SS..PPolyproline II helixtrans-86.8150172.9-68.30000109.7T81 N133 I134T81-S83 PolarHBondContact O-N 3.48Å; S83-N133 PolarHBondContact N-OD1 2.89Å; S83-N133 WeakPolarHBondContact O-CB 3.42Å; S83-N133 PolarHBondContact O-OD1 2.78Å; S83-I134 PolarHBondContact O-N 3.26Å
84C90.2Very high82Confident10 Ų1067.4 Ų67.47%0.06835%0.348CS..EExtended strand (participates in β ladder)trans-95.4132.8179-173.30000110.4P68 N69 Y72 V74 I134P68-C84 WeakPolarHBondContact CA-O 3.12Å; N69-C84 PolarHBondContact N-O 3.36Å; Y72-C84 HydrophobicContact CD1-CB 4Å; V74-C84 HydrophobicContact CG2-CB 3.68Å; C84-I134 WeakPolarHBondContact CA-O 3.16Å
85Y94.8Very high83.2Confident12 Ų1265.8 Ų65.85%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-125.7162.9179-70.6-104.1000110.2V67 P68 D121 H123 W127 C128 N133 I134 L135 K136V67-Y85 CarbonylContact O-C 3.59Å; V67-Y85 WeakPolarHBondContact O-CA 3.31Å; V67-Y85 WeakPolarHBondContact O-CB 3.37Å; V67-Y85 WeakPolarHBondContact O-CD1 3.33Å; P68-Y85 HydrophobicContact CB-CE1 4.48Å; P68-Y85 HydrophobicContact CG-CD1 4.4Å; P68-Y85 HydrophobicContact CG-CE1 3.86Å; Y85-D121 WeakPolarHBondContact CE1-O 3.3Å; Y85-H123 AromaticContact CE1-CD2 3.53Å; Y85-H123 AromaticContact CE1-NE2 3.84Å; Y85-W127 HydrophobicContact CD2-CZ3 4.13Å; Y85-W127 HydrophobicContact CE1-CZ3 4.14Å; Y85-W127 HydrophobicContact CE2-CH2 4.24Å; Y85-W127 AromaticContact CE2-CZ3 3.65Å; Y85-W127 HydrophobicContact CE2-CZ3 3.65Å; Y85-W127 AromaticContact CZ-CZ3 3.69Å; Y85-C128 WeakPolarHBondContact CB-SG 3.32Å; Y85-N133 HydrophobicContact CD2-CB 4.13Å; Y85-N133 HydrophobicContact CE2-CB 4.29Å; Y85-I134 PolarHBondContact N-O 2.94Å; Y85-L135 WeakPolarHBondContact O-CA 3.38Å; Y85-K136 PolarHBondContact O-N 2.91Å
86W95.2Very high84.5Confident2 Ų259.4 Ų59.41%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-142.4164.5167.4-165.8-120.4000111.4V67 N69 Y102 E103 L135 P137 P138 W148 L152V67-W86 PolarHBondContact N-O 3.03Å; V67-W86 PolarHBondContact O-N 2.84Å; N69-W86 HydrophobicContact CB-CB 4.13Å; W86-Y102 HydrophobicContact CB-CD1 3.94Å; W86-Y102 HydrophobicContact CB-CE1 4.05Å; W86-Y102 AromaticContact CD1-CD1 3.77Å; W86-Y102 HydrophobicContact CG-CD1 4.28Å; W86-E103 PolarHBondContact NE1-O 3.21Å; W86-L135 HydrophobicContact CE3-CD1 4.22Å; W86-L135 HydrophobicContact CE3-CG 3.79Å; W86-L135 HydrophobicContact CZ3-CD2 4.42Å; W86-L135 HydrophobicContact CZ3-CG 3.99Å; W86-P137 HydrophobicContact CD2-CB 4.46Å; W86-P137 VanDerWaalsContact CE3-N 3.28Å; W86-P137 HydrophobicContact CH2-CB 3.75Å; W86-P137 HydrophobicContact CH2-CG 4.27Å; W86-P137 HydrophobicContact CZ2-CB 3.68Å; W86-P137 HydrophobicContact CZ3-CB 4.21Å; W86-P138 HydrophobicContact CG-CG 4.33Å; W86-W148 HydrophobicContact CH2-CB 4.35Å; W86-W148 HydrophobicContact CH2-CD2 4.09Å; W86-W148 AromaticContact CH2-CE3 3.88Å; W86-W148 HydrophobicContact CH2-CE3 3.88Å; W86-W148 HydrophobicContact CH2-CG 4.31Å; W86-W148 HydrophobicContact CZ2-CD2 4.14Å; W86-W148 AromaticContact CZ2-CE3 3.62Å; W86-W148 HydrophobicContact CZ2-CE3 3.62Å; W86-W148 AromaticContact CZ2-CZ3 3.84Å; W86-W148 HydrophobicContact CZ2-CZ3 3.84Å; W86-L152 HydrophobicContact CH2-CD1 3.82Å; W86-L152 HydrophobicContact CH2-CD2 4.06Å; W86-L152 HydrophobicContact CH2-CG 4.18Å; W86-L152 HydrophobicContact CZ2-CD2 4.19Å; W86-L152 HydrophobicContact CZ3-CD1 3.98Å
87I95.7Very high86.1Confident0 Ų050.8 Ų50.80%027%0.265CS..EExtended strand (participates in β ladder)trans-79.4134.8178.4-47.3-161.1000109.2K64 I65 Y102 E103 L135 L152 L155 L156K64-I87 HydrophobicContact CB-CG2 3.91Å; K64-I87 HydrophobicContact CD-CG2 4.42Å; I65-I87 CarbonylContact O-C 3.51Å; I65-I87 VanDerWaalsContact O-CA 3.3Å; I65-I87 WeakPolarHBondContact O-CA 3.33Å; I87-Y102 WeakPolarHBondContact O-CA 3.16Å; I87-E103 HydrophobicContact CB-CB 4.27Å; I87-E103 HydrophobicContact CB-CG 3.93Å; I87-E103 HydrophobicContact CG2-CG 3.73Å; I87-E103 WeakPolarHBondContact O-CB 3.49Å; I87-E103 WeakPolarHBondContact O-CG 3.33Å; I87-E103 PolarHBondContact O-N 3.48Å; I87-L135 HydrophobicContact CD1-CD2 4.13Å; I87-L135 HydrophobicContact CG1-CD1 4.07Å; I87-L135 HydrophobicContact CG1-CD2 4.07Å; I87-L152 HydrophobicContact CD1-CD2 3.6Å; I87-L152 HydrophobicContact CG1-CD2 4.08Å; I87-L155 HydrophobicContact CG2-CD2 4.41Å; I87-L156 HydrophobicContact CD1-CD1 3.74Å; I87-L156 HydrophobicContact CD1-CD2 3.75Å; I87-L156 HydrophobicContact CD1-CG 4.02Å
88A95.5Very high87.5Confident0 Ų044.7 Ų44.70%024%0.237CC..EExtended strand (participates in β ladder)trans-131159173.100000111.6I65 V67 L100 R101 Y102I65-A88 HydrophobicContact CG1-CB 4.39Å; I65-A88 WeakPolarHBondContact CG1-O 3.29Å; I65-A88 PolarHBondContact N-O 3.34Å; I65-A88 PolarHBondContact O-N 2.92Å; V67-A88 HydrophobicContact CG2-CB 3.59Å; A88-L100 HydrophobicContact CB-CB 4.24Å; A88-R101 CarbonylContact C-O 3.49Å; A88-R101 WeakPolarHBondContact CA-O 3.36Å; A88-R101 WeakPolarHBondContact CB-O 3.44Å; A88-Y102 HydrophobicContact CB-CD1 4.31Å
89T94.2Very high89.1Confident14 Ų1441 Ų419%0.08621%0.211CC..EExtended strand (participates in β ladder)trans-114.5134.5171.5-73.90000110.5K64 I91 R101 E103K64-T89 WeakPolarHBondContact CD-OG1 3.11Å; K64-T89 PolarHBondContact NZ-OG1 2.91Å; T89-I91 HydrophobicContact CG2-CD1 4.2Å; T89-I91 PolarHBondContact O-N 3.13Å; T89-R101 PolarHBondContact N-O 2.88Å; T89-R101 PolarHBondContact O-N 3.12Å; T89-E103 WeakPolarHBondContact CB-OE1 3.37Å; T89-E103 PolarHBondContact OG1-OE1 3.44Å
90P94.8Very high90.6Very high13 Ų1331.7 Ų31.78%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-59.5121.3163.8-25.337.5000112.3L59 V63 L93 V98 L100L59-P90 HydrophobicContact CD2-CG 4.33Å; V63-P90 HydrophobicContact CG2-CG 3.74Å; V63-P90 WeakPolarHBondContact O-CD 3.13Å; P90-L93 HydrophobicContact CB-CD2 4.37Å; P90-V98 HydrophobicContact CB-CG1 3.68Å; P90-V98 HydrophobicContact CG-CG1 4.17Å; P90-L100 HydrophobicContact CB-CD2 4.38Å; P90-L100 HydrophobicContact CG-CD2 4.06Å
91I93.7Very high92.2Very high77 Ų7728.2 Ų28.240%0.39515%0.154SC..EExtended strand (participates in β ladder)trans-100.5-37.5178.5-55.9-56000111.2T89 L99 R101T89-I91 HydrophobicContact CG2-CD1 4.2Å; T89-I91 PolarHBondContact O-N 3.13Å; I91-L99 HydrophobicContact CG2-CD2 4.49Å; I91-L99 PolarHBondContact N-O 2.66Å; I91-R101 HydrophobicContact CD1-CB 3.9Å; I91-R101 HydrophobicContact CG1-CB 3.64Å
92R93.3Very high93.3Very high84 Ų8422.1 Ų22.132%0.31712%0.115SC..EExtended strand (participates in β ladder)trans-147.4140.2-178-172.9177.3172.8-173.8-3.9110.3F39 E94 V98 L99 W114F39-R92 PolarHBondContact O-NH2 2.76Å; R92-E94 HydrophobicContact CG-CG 4.29Å; R92-E94 IonicContact CZ-OE1 2.77Å; R92-E94 IonicContact NE-OE1 3.54Å; R92-E94 PolarHBondContact NE-OE1 3.45Å; R92-E94 IonicContact NH2-OE1 2.67Å; R92-E94 PolarHBondContact NH2-OE1 3.01Å; R92-V98 CarbonylContact O-C 3.6Å; R92-V98 WeakPolarHBondContact O-CA 3.07Å; R92-L99 HydrophobicContact CB-CB 3.87Å; R92-L99 HydrophobicContact CB-CD2 4.29Å; R92-L99 PolarHBondContact O-N 2.84Å; R92-W114 HydrophobicContact CB-CH2 4.26Å; R92-W114 HydrophobicContact CG-CH2 4.1Å
93L94.6Very high94.1Very high50 Ų5022.6 Ų22.626%0.26212%0.115SC..EExtended strand (participates in β ladder)trans-116.7130.4-179.5-56.2173.2000109.3L59 R60 P90 V98L59-L93 HydrophobicContact CB-CD1 3.73Å; L59-L93 HydrophobicContact CB-CD2 3.72Å; L59-L93 HydrophobicContact CB-CG 4.36Å; L59-L93 HydrophobicContact CD1-CD2 3.67Å; L59-L93 HydrophobicContact CG-CD2 4.37Å; R60-L93 HydrophobicContact CG-CD1 3.58Å; P90-L93 HydrophobicContact CB-CD2 4.37Å; L93-V98 HydrophobicContact CD2-CB 4.23Å; L93-V98 HydrophobicContact CD2-CG1 3.81Å; L93-V98 HydrophobicContact CD2-CG2 3.57Å
94E96Very high94.3Very high13 Ų1320.2 Ų20.26%0.06110%0.1CC..EExtended strand (participates in β ladder)trans-14282.7180-64.7-62.4170.500108.6I34 F39 S40 A41 R92 Y96 K97 W114I34-E94 HydrophobicContact CD1-CB 3.56Å; I34-E94 HydrophobicContact CD1-CG 3.89Å; I34-E94 HydrophobicContact CG1-CB 3.99Å; I34-E94 HydrophobicContact CG1-CG 3.85Å; F39-E94 HydrophobicContact CD1-CG 4.23Å; F39-E94 HydrophobicContact CE1-CB 4.11Å; F39-E94 HydrophobicContact CE1-CG 4.16Å; F39-E94 WeakPolarHBondContact CE1-OE2 3.37Å; S40-E94 WeakPolarHBondContact CA-OE2 3.49Å; A41-E94 HydrophobicContact CB-CB 4.05Å; A41-E94 WeakPolarHBondContact CB-OE2 3.47Å; A41-E94 PolarHBondContact N-OE2 3.43Å; R92-E94 HydrophobicContact CG-CG 4.29Å; R92-E94 IonicContact CZ-OE1 2.77Å; R92-E94 IonicContact NE-OE1 3.54Å; R92-E94 PolarHBondContact NE-OE1 3.45Å; R92-E94 IonicContact NH2-OE1 2.67Å; R92-E94 PolarHBondContact NH2-OE1 3.01Å; E94-Y96 PolarHBondContact O-N 2.82Å; E94-K97 HydrophobicContact CB-CB 4.46Å; E94-K97 PolarHBondContact N-O 2.82Å; E94-K97 WeakPolarHBondContact O-CB 3.15Å; E94-K97 PolarHBondContact O-N 3.49Å; E94-K97 VanDerWaalsContact O-N 3.1Å; E94-W114 HydrophobicContact CB-CH2 4.29Å; E94-W114 HydrophobicContact CB-CZ3 4.17Å; E94-W114 HydrophobicContact CG-CH2 3.63Å; E94-W114 HydrophobicContact CG-CZ3 3.99Å
95G95.5Very high94.3Very high9 Ų920.1 Ų20.19%0.09310%0.098CC..THydrogen-bonded Turntrans63.3-128.5-165.900000110.7V44 K97V44-G95 VanDerWaalsContact CG2-C 3.4Å; V44-G95 WeakPolarHBondContact CG2-O 3.46Å; G95-K97 VanDerWaalsContact C-N 3.33Å
96Y95.3Very high93.7Very high0 Ų026.6 Ų26.60%013%0.129CC..THydrogen-bonded Turntrans-79.8-14173.2-68.1-67000113.8V44 C50 P51 F52 E94 N116 I117 C118 P459 V460 W462 M465V44-Y96 HydrophobicContact CB-CE1 4.45Å; V44-Y96 HydrophobicContact CG1-CD1 4.41Å; V44-Y96 HydrophobicContact CG1-CE1 3.61Å; V44-Y96 HydrophobicContact CG1-CE2 4.43Å; V44-Y96 HydrophobicContact CG2-CD1 3.88Å; V44-Y96 HydrophobicContact CG2-CD2 4.49Å; V44-Y96 HydrophobicContact CG2-CE1 3.91Å; V44-Y96 HydrophobicContact CG2-CG 4.19Å; C50-Y96 WeakPolarHBondContact CB-OH 3.5Å; P51-Y96 WeakPolarHBondContact CD-OH 3.43Å; P51-Y96 WeakPolarHBondContact O-CE1 3.24Å; P51-Y96 PolarHBondContact O-OH 3.06Å; F52-Y96 HydrophobicContact CB-CE1 4.43Å; E94-Y96 PolarHBondContact O-N 2.82Å; Y96-N116 WeakPolarHBondContact O-CA 3.16Å; Y96-I117 HydrophobicContact CD1-CG2 4.24Å; Y96-I117 PolarHBondContact O-N 2.87Å; Y96-C118 HydrophobicContact CD1-CB 4.49Å; Y96-C118 VanDerWaalsContact CD1-SG 3.57Å; Y96-P459 HydrophobicContact CD2-CB 3.98Å; Y96-P459 HydrophobicContact CD2-CG 4.22Å; Y96-P459 HydrophobicContact CE2-CB 3.91Å; Y96-P459 HydrophobicContact CE2-CG 3.63Å; Y96-V460 PolarHBondContact N-O 2.92Å; Y96-W462 HydrophobicContact CD2-CB 4.23Å; Y96-W462 HydrophobicContact CE2-CB 4.01Å; Y96-W462 AromaticContact CE2-CD1 3.98Å; Y96-W462 HydrophobicContact CE2-CG 4.42Å; Y96-M465 HydrophobicContact CD1-SD 4.25Å; Y96-M465 HydrophobicContact CD2-CE 4.43Å; Y96-M465 HydrophobicContact CD2-SD 4.41Å; Y96-M465 HydrophobicContact CE1-CE 4.45Å; Y96-M465 HydrophobicContact CE1-SD 3.96Å; Y96-M465 HydrophobicContact CE2-CE 3.75Å; Y96-M465 HydrophobicContact CE2-SD 4.11Å; Y96-M465 HydrophobicContact CG-SD 4.47Å
97K95.5Very high93Very high13 Ų1329.2 Ų29.26%0.05716%0.157CC..EExtended strand (participates in β ladder)trans-77.6125.4176.5-66.2-63.5-160174.80109.5I34 E94 G95 W114 M115 N116 V460 E464I34-K97 HydrophobicContact CD1-CB 3.54Å; I34-K97 HydrophobicContact CD1-CG 4.1Å; E94-K97 HydrophobicContact CB-CB 4.46Å; E94-K97 PolarHBondContact N-O 2.82Å; E94-K97 WeakPolarHBondContact O-CB 3.15Å; E94-K97 PolarHBondContact O-N 3.49Å; E94-K97 VanDerWaalsContact O-N 3.1Å; G95-K97 VanDerWaalsContact C-N 3.33Å; K97-W114 HydrophobicContact CB-CE3 3.93Å; K97-W114 HydrophobicContact CB-CZ3 4.17Å; K97-M115 CarbonylContact C-O 3.58Å; K97-M115 WeakPolarHBondContact CA-O 3.21Å; K97-N116 HydrophobicContact CD-CB 4.45Å; K97-V460 HydrophobicContact CG-CG1 4.17Å; K97-E464 WeakPolarHBondContact CE-OE2 3.37Å; K97-E464 IonicContact NZ-OE1 3.18Å; K97-E464 PolarHBondContact NZ-OE1 3.13Å; K97-E464 IonicContact NZ-OE2 3.81Å; K97-E464 PolarHBondContact NZ-OE2 3.42Å
98V94.8Very high92.6Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-124.3126-178.6-178.50000109.1L59 P90 R92 L93 L100 W114 M115 I117L59-V98 HydrophobicContact CD1-CG2 4.17Å; P90-V98 HydrophobicContact CB-CG1 3.68Å; P90-V98 HydrophobicContact CG-CG1 4.17Å; R92-V98 CarbonylContact O-C 3.6Å; R92-V98 WeakPolarHBondContact O-CA 3.07Å; L93-V98 HydrophobicContact CD2-CB 4.23Å; L93-V98 HydrophobicContact CD2-CG1 3.81Å; L93-V98 HydrophobicContact CD2-CG2 3.57Å; V98-L100 HydrophobicContact CB-CD2 4.48Å; V98-L100 HydrophobicContact CG1-CD2 3.6Å; V98-L100 HydrophobicContact CG1-CG 4.16Å; V98-W114 WeakPolarHBondContact O-CA 3.48Å; V98-M115 PolarHBondContact N-O 3.19Å; V98-M115 PolarHBondContact O-N 3.4Å; V98-I117 HydrophobicContact CG2-CB 3.79Å; V98-I117 HydrophobicContact CG2-CD1 4.17Å; V98-I117 HydrophobicContact CG2-CG1 4.35Å; V98-I117 HydrophobicContact CG2-CG2 4.36Å
99L95.1Very high92.3Very high27 Ų2739.7 Ų39.714%0.14121%0.206CC..EExtended strand (participates in β ladder)trans-80.7119.7170.1-174.864000107.7I91 R92 D112 W114I91-L99 HydrophobicContact CG2-CD2 4.49Å; I91-L99 PolarHBondContact N-O 2.66Å; R92-L99 HydrophobicContact CB-CB 3.87Å; R92-L99 HydrophobicContact CB-CD2 4.29Å; R92-L99 PolarHBondContact O-N 2.84Å; L99-D112 HydrophobicContact CD1-CB 3.74Å; L99-D112 HydrophobicContact CD2-CB 4.38Å; L99-D112 HydrophobicContact CG-CB 4.08Å; L99-W114 HydrophobicContact CB-CD2 4.03Å; L99-W114 HydrophobicContact CB-CE3 3.94Å; L99-W114 HydrophobicContact CB-CH2 3.79Å; L99-W114 HydrophobicContact CB-CZ2 3.89Å; L99-W114 HydrophobicContact CB-CZ3 3.81Å; L99-W114 HydrophobicContact CD1-CD2 4.04Å; L99-W114 HydrophobicContact CD1-CG 4.12Å; L99-W114 HydrophobicContact CD1-CZ2 4.32Å; L99-W114 HydrophobicContact CD2-CZ2 4.38Å; L99-W114 HydrophobicContact CG-CZ2 4.43Å; L99-W114 VanDerWaalsContact N-CZ3 3.26Å
100L95Very high92.1Very high0 Ų042.7 Ų42.70%023%0.232CC..EExtended strand (participates in β ladder)trans-109.7145.3-177.1-63.8176.7000110.5I65 V67 A88 P90 V98 D112 F113 M115I65-L100 HydrophobicContact CD1-CD1 3.96Å; I65-L100 HydrophobicContact CD1-CD2 3.53Å; I65-L100 HydrophobicContact CD1-CG 4.42Å; I65-L100 HydrophobicContact CG1-CD2 4.41Å; V67-L100 HydrophobicContact CG1-CD1 3.89Å; V67-L100 HydrophobicContact CG2-CD1 4.42Å; A88-L100 HydrophobicContact CB-CB 4.24Å; P90-L100 HydrophobicContact CB-CD2 4.38Å; P90-L100 HydrophobicContact CG-CD2 4.06Å; V98-L100 HydrophobicContact CB-CD2 4.48Å; V98-L100 HydrophobicContact CG1-CD2 3.6Å; V98-L100 HydrophobicContact CG1-CG 4.16Å; L100-D112 VanDerWaalsContact O-CA 3.28Å; L100-D112 WeakPolarHBondContact O-CA 3.47Å; L100-F113 HydrophobicContact CB-CD2 4.44Å; L100-F113 HydrophobicContact CB-CE1 4.2Å; L100-F113 HydrophobicContact CB-CE2 4.07Å; L100-F113 HydrophobicContact CB-CZ 3.94Å; L100-F113 HydrophobicContact CD1-CE2 3.96Å; L100-F113 HydrophobicContact CD1-CZ 4.31Å; L100-F113 PolarHBondContact N-O 3.11Å; L100-F113 PolarHBondContact O-N 3.31Å; L100-M115 HydrophobicContact CD1-CB 3.98Å; L100-M115 HydrophobicContact CD1-CG 3.97Å; L100-M115 HydrophobicContact CD1-SD 3.54Å; L100-M115 VanDerWaalsContact CD1-SD 3.54Å
101R94.3Very high91.9Very high54 Ų5445.4 Ų45.420%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-123.4127.7168.3-179.1175.1-62.9149.74.6109.5A88 T89 I91 F105 D112A88-R101 CarbonylContact C-O 3.49Å; A88-R101 WeakPolarHBondContact CA-O 3.36Å; A88-R101 WeakPolarHBondContact CB-O 3.44Å; T89-R101 PolarHBondContact N-O 2.88Å; T89-R101 PolarHBondContact O-N 3.12Å; I91-R101 HydrophobicContact CD1-CB 3.9Å; I91-R101 HydrophobicContact CG1-CB 3.64Å; R101-F105 HydrophobicContact CG-CB 4.26Å; R101-D112 WeakPolarHBondContact CB-OD1 3.42Å; R101-D112 WeakPolarHBondContact CG-OD1 3.35Å; R101-D112 IonicContact CZ-OD1 3.22Å; R101-D112 IonicContact CZ-OD2 2.96Å; R101-D112 IonicContact NE-OD1 2.91Å; R101-D112 PolarHBondContact NE-OD1 2.77Å; R101-D112 IonicContact NE-OD2 3.74Å; R101-D112 IonicContact NH2-OD1 2.76Å; R101-D112 PolarHBondContact NH2-OD1 3.29Å; R101-D112 IonicContact NH2-OD2 3.4Å; R101-D112 PolarHBondContact NH2-OD2 3.43Å
102Y94Very high91.9Very high9 Ų943.4 Ų43.44%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-61.2140.7170.5-72.7-53.1000111.7V67 P68 T70 W86 I87 A88 G104 F105 F113 P138V67-Y102 HydrophobicContact CG2-CD1 4.45Å; V67-Y102 HydrophobicContact CG2-CE1 3.93Å; P68-Y102 PolarHBondContact O-OH 2.92Å; T70-Y102 PolarHBondContact N-OH 3.16Å; T70-Y102 PolarHBondContact OG1-OH 2.72Å; W86-Y102 HydrophobicContact CB-CD1 3.94Å; W86-Y102 HydrophobicContact CB-CE1 4.05Å; W86-Y102 AromaticContact CD1-CD1 3.77Å; W86-Y102 HydrophobicContact CG-CD1 4.28Å; I87-Y102 WeakPolarHBondContact O-CA 3.16Å; A88-Y102 HydrophobicContact CB-CD1 4.31Å; Y102-G104 PolarHBondContact O-N 3.25Å; Y102-F105 HydrophobicContact CD2-CD2 4.48Å; Y102-F105 HydrophobicContact CD2-CE2 4.1Å; Y102-F105 PolarHBondContact O-N 2.75Å; Y102-F113 HydrophobicContact CD1-CE1 4.12Å; Y102-F113 HydrophobicContact CD1-CZ 4.25Å; Y102-F113 AromaticContact CD2-CE1 3.78Å; Y102-F113 HydrophobicContact CD2-CE1 3.78Å; Y102-F113 AromaticContact CE1-CE1 3.86Å; Y102-F113 HydrophobicContact CE1-CE1 3.86Å; Y102-F113 AromaticContact CE1-CZ 3.7Å; Y102-F113 HydrophobicContact CE1-CZ 3.7Å; Y102-F113 HydrophobicContact CE2-CD1 4.21Å; Y102-F113 AromaticContact CE2-CE1 3.48Å; Y102-F113 HydrophobicContact CE2-CE1 3.48Å; Y102-F113 VanDerWaalsContact CE2-CE1 3.48Å; Y102-F113 HydrophobicContact CE2-CZ 4.07Å; Y102-F113 HydrophobicContact CG-CE1 4.08Å; Y102-F113 AromaticContact CZ-CE1 3.51Å; Y102-F113 AromaticContact CZ-CZ 3.58Å; Y102-P138 HydrophobicContact CD1-CG 4.36Å; Y102-P138 HydrophobicContact CD2-CG 3.76Å; Y102-P138 HydrophobicContact CE2-CG 4.2Å; Y102-P138 HydrophobicContact CG-CG 3.86Å
103E92.9Very high91.9Very high26 Ų2641.6 Ų41.612%0.12123%0.228CC..THydrogen-bonded Turntrans-65.9132.2175.9-69.3-67.9162.600111.1K64 W86 I87 T89 L141 L155K64-E103 WeakPolarHBondContact CD-OE1 3.22Å; K64-E103 IonicContact NZ-OE1 3.15Å; K64-E103 PolarHBondContact NZ-OE1 2.95Å; K64-E103 IonicContact NZ-OE2 3.79Å; W86-E103 PolarHBondContact NE1-O 3.21Å; I87-E103 HydrophobicContact CB-CB 4.27Å; I87-E103 HydrophobicContact CB-CG 3.93Å; I87-E103 HydrophobicContact CG2-CG 3.73Å; I87-E103 WeakPolarHBondContact O-CB 3.49Å; I87-E103 WeakPolarHBondContact O-CG 3.33Å; I87-E103 PolarHBondContact O-N 3.48Å; T89-E103 WeakPolarHBondContact CB-OE1 3.37Å; T89-E103 PolarHBondContact OG1-OE1 3.44Å; E103-L141 WeakPolarHBondContact O-CD1 3.43Å; E103-L155 HydrophobicContact CB-CD2 3.78Å; E103-L155 HydrophobicContact CG-CD2 3.57Å; E103-L155 VanDerWaalsContact OE2-CD1 3.31Å; E103-L155 WeakPolarHBondContact OE2-CD1 3.31Å
104G90.5Very high91.9Very high11 Ų1141.7 Ų41.711%0.11323%0.225CC..THydrogen-bonded Turntrans103.9-19.3-174.600000114.9Y102 E106Y102-G104 PolarHBondContact O-N 3.25Å; G104-E106 PolarHBondContact O-N 2.86Å
105F90Very high91.7Very high9 Ų941.7 Ų41.74%0.03923%0.225CC..  trans-82.226.4175-79.8-83.3000113.8R101 Y102 G107 N108 H111 P138 T140 L141R101-F105 HydrophobicContact CG-CB 4.26Å; Y102-F105 HydrophobicContact CD2-CD2 4.48Å; Y102-F105 HydrophobicContact CD2-CE2 4.1Å; Y102-F105 PolarHBondContact O-N 2.75Å; F105-G107 PolarHBondContact O-N 2.85Å; F105-N108 HydrophobicContact CB-CB 4.38Å; F105-N108 HydrophobicContact CD1-CB 4.23Å; F105-N108 WeakPolarHBondContact O-CA 3.45Å; F105-N108 WeakPolarHBondContact O-CB 3.45Å; F105-N108 PolarHBondContact O-N 3.29Å; F105-H111 HydrophobicContact CD1-CB 4.22Å; F105-H111 AromaticContact CD1-CD2 3.68Å; F105-H111 HydrophobicContact CE1-CB 4.03Å; F105-H111 AromaticContact CE1-CD2 3.24Å; F105-H111 WeakPolarHBondContact CE1-CD2 3.23Å; F105-H111 AromaticContact CE1-CG 3.51Å; F105-H111 AromaticContact CE1-NE2 3.63Å; F105-H111 HydrophobicContact CE2-CB 4.42Å; F105-H111 HydrophobicContact CZ-CB 4.09Å; F105-H111 AromaticContact CZ-CD2 3.97Å; F105-H111 AromaticContact CZ-CG 3.76Å; F105-H111 AromaticContact CZ-ND1 3.99Å; F105-P138 HydrophobicContact CE2-CB 3.83Å; F105-P138 HydrophobicContact CE2-CG 3.91Å; F105-P138 HydrophobicContact CZ-CB 4.21Å; F105-T140 HydrophobicContact CE1-CG2 3.75Å; F105-T140 HydrophobicContact CZ-CG2 3.95Å; F105-L141 HydrophobicContact CD1-CD2 3.86Å; F105-L141 HydrophobicContact CD1-CG 4.47Å; F105-L141 HydrophobicContact CD2-CD1 3.4Å; F105-L141 VanDerWaalsContact CD2-CD1 3.4Å; F105-L141 HydrophobicContact CD2-CD2 3.77Å; F105-L141 HydrophobicContact CD2-CG 3.67Å; F105-L141 HydrophobicContact CE1-CD2 3.95Å; F105-L141 HydrophobicContact CE1-CG 4.23Å; F105-L141 HydrophobicContact CE2-CD1 3.5Å; F105-L141 VanDerWaalsContact CE2-CD1 3.5Å; F105-L141 HydrophobicContact CE2-CD2 3.9Å; F105-L141 HydrophobicContact CE2-CG 3.44Å; F105-L141 VanDerWaalsContact CE2-CG 3.44Å; F105-L141 HydrophobicContact CG-CD1 4.21Å; F105-L141 HydrophobicContact CG-CD2 3.79Å; F105-L141 HydrophobicContact CG-CG 4.23Å; F105-L141 HydrophobicContact CZ-CD1 4.32Å; F105-L141 HydrophobicContact CZ-CD2 4Å; F105-L141 HydrophobicContact CZ-CG 3.76Å
106E82.8Confident91.7Very high147 Ų14741.4 Ų41.469%0.68722%0.221SC*.THydrogen-bonded Turntrans-38.8114.6-174.4-65.2167.6-152.700113.3G104 N108 R151G104-E106 PolarHBondContact O-N 2.86Å; E106-N108 PolarHBondContact O-N 2.76Å; E106-R151 IonicContact OE1-CZ 2.65Å; E106-R151 IonicContact OE1-NH2 2.66Å; E106-R151 PolarHBondContact OE1-NH2 2.84Å
107G80.4Confident91.6Very high58 Ų5841.5 Ų41.560%0.59822%0.222SC*.THydrogen-bonded Turntrans78.2-12-179.700000116.5F105 F109F105-G107 PolarHBondContact O-N 2.85Å; G107-F109 PolarHBondContact O-N 3.02Å
108N86.1Confident91.4Very high65 Ų6540.9 Ų40.935%0.34822%0.219SC..  trans-8898.2174-175.1-1.4000110.9F105 E106 A110 H111F105-N108 HydrophobicContact CB-CB 4.38Å; F105-N108 HydrophobicContact CD1-CB 4.23Å; F105-N108 WeakPolarHBondContact O-CA 3.45Å; F105-N108 WeakPolarHBondContact O-CB 3.45Å; F105-N108 PolarHBondContact O-N 3.29Å; E106-N108 PolarHBondContact O-N 2.76Å; N108-A110 VanDerWaalsContact C-N 3.33Å; N108-A110 VanDerWaalsContact OD1-CB 3.27Å; N108-A110 WeakPolarHBondContact OD1-CB 3.38Å; N108-A110 PolarHBondContact OD1-N 2.89Å; N108-H111 PolarHBondContact ND2-CD2 3.11Å
109F89.9Confident91.1Very high155 Ų15541 Ų4168%0.6822%0.219SC*.G310 helixtrans-82.3-5.517952.6-92000114G107 H111 D112G107-F109 PolarHBondContact O-N 3.02Å; F109-H111 PolarHBondContact O-N 2.77Å; F109-D112 WeakPolarHBondContact O-CB 3.18Å; F109-D112 PolarHBondContact O-N 3.32Å
110A89.4Confident90.7Very high77 Ų7741.4 Ų41.464%0.63623%0.227SC*.G310 helixtrans-68.9-18.7-176.700000113.3N108N108-A110 VanDerWaalsContact C-N 3.33Å; N108-A110 VanDerWaalsContact OD1-CB 3.27Å; N108-A110 WeakPolarHBondContact OD1-CB 3.38Å; N108-A110 PolarHBondContact OD1-N 2.89Å
111H90.2Very high90.6Very high70 Ų7043.3 Ų43.332%0.32424%0.237SC..G310 helixtrans-107.112.1177.6-61.1-92.4000112.5F105 N108 F109 F113F105-H111 HydrophobicContact CD1-CB 4.22Å; F105-H111 AromaticContact CD1-CD2 3.68Å; F105-H111 HydrophobicContact CE1-CB 4.03Å; F105-H111 AromaticContact CE1-CD2 3.24Å; F105-H111 WeakPolarHBondContact CE1-CD2 3.23Å; F105-H111 AromaticContact CE1-CG 3.51Å; F105-H111 AromaticContact CE1-NE2 3.63Å; F105-H111 HydrophobicContact CE2-CB 4.42Å; F105-H111 HydrophobicContact CZ-CB 4.09Å; F105-H111 AromaticContact CZ-CD2 3.97Å; F105-H111 AromaticContact CZ-CG 3.76Å; F105-H111 AromaticContact CZ-ND1 3.99Å; N108-H111 PolarHBondContact ND2-CD2 3.11Å; F109-H111 PolarHBondContact O-N 2.77Å; H111-F113 WeakPolarHBondContact O-CD1 3.3Å
112D93.7Very high90.6Very high34 Ų3440.7 Ų40.718%0.18223%0.227CC..  trans-70.2139.7173-65.4-2.3000109.5L99 L100 R101 F109L99-D112 HydrophobicContact CD1-CB 3.74Å; L99-D112 HydrophobicContact CD2-CB 4.38Å; L99-D112 HydrophobicContact CG-CB 4.08Å; L100-D112 VanDerWaalsContact O-CA 3.28Å; L100-D112 WeakPolarHBondContact O-CA 3.47Å; R101-D112 WeakPolarHBondContact CB-OD1 3.42Å; R101-D112 WeakPolarHBondContact CG-OD1 3.35Å; R101-D112 IonicContact CZ-OD1 3.22Å; R101-D112 IonicContact CZ-OD2 2.96Å; R101-D112 IonicContact NE-OD1 2.91Å; R101-D112 PolarHBondContact NE-OD1 2.77Å; R101-D112 IonicContact NE-OD2 3.74Å; R101-D112 IonicContact NH2-OD1 2.76Å; R101-D112 PolarHBondContact NH2-OD1 3.29Å; R101-D112 IonicContact NH2-OD2 3.4Å; R101-D112 PolarHBondContact NH2-OD2 3.43Å; F109-D112 WeakPolarHBondContact O-CB 3.18Å; F109-D112 PolarHBondContact O-N 3.32Å
113F93.7Very high90.6Very high46 Ų4640.6 Ų40.620%0.20223%0.227CC..EExtended strand (participates in β ladder)trans-139.1147.1-176.560-81.3000111.7V67 L100 Y102 H111 M115V67-F113 HydrophobicContact CG2-CE2 4.37Å; V67-F113 HydrophobicContact CG2-CZ 3.87Å; L100-F113 HydrophobicContact CB-CD2 4.44Å; L100-F113 HydrophobicContact CB-CE1 4.2Å; L100-F113 HydrophobicContact CB-CE2 4.07Å; L100-F113 HydrophobicContact CB-CZ 3.94Å; L100-F113 HydrophobicContact CD1-CE2 3.96Å; L100-F113 HydrophobicContact CD1-CZ 4.31Å; L100-F113 PolarHBondContact N-O 3.11Å; L100-F113 PolarHBondContact O-N 3.31Å; Y102-F113 HydrophobicContact CD1-CE1 4.12Å; Y102-F113 HydrophobicContact CD1-CZ 4.25Å; Y102-F113 AromaticContact CD2-CE1 3.78Å; Y102-F113 HydrophobicContact CD2-CE1 3.78Å; Y102-F113 AromaticContact CE1-CE1 3.86Å; Y102-F113 HydrophobicContact CE1-CE1 3.86Å; Y102-F113 AromaticContact CE1-CZ 3.7Å; Y102-F113 HydrophobicContact CE1-CZ 3.7Å; Y102-F113 HydrophobicContact CE2-CD1 4.21Å; Y102-F113 AromaticContact CE2-CE1 3.48Å; Y102-F113 HydrophobicContact CE2-CE1 3.48Å; Y102-F113 VanDerWaalsContact CE2-CE1 3.48Å; Y102-F113 HydrophobicContact CE2-CZ 4.07Å; Y102-F113 HydrophobicContact CG-CE1 4.08Å; Y102-F113 AromaticContact CZ-CE1 3.51Å; Y102-F113 AromaticContact CZ-CZ 3.58Å; H111-F113 WeakPolarHBondContact O-CD1 3.3Å; F113-M115 HydrophobicContact CD2-CG 3.85Å; F113-M115 HydrophobicContact CD2-SD 4.2Å; F113-M115 HydrophobicContact CE2-CG 3.84Å; F113-M115 HydrophobicContact CE2-SD 3.57Å; F113-M115 VanDerWaalsContact CE2-SD 3.57Å
114W93.9Very high90.7Very high53 Ų5339.6 Ų39.620%0.20122%0.223CC..EExtended strand (participates in β ladder)trans-89135.4178.1-7297000110.5I34 R92 E94 K97 V98 L99I34-W114 HydrophobicContact CD1-CD2 3.95Å; I34-W114 HydrophobicContact CD1-CE3 3.61Å; I34-W114 HydrophobicContact CD1-CH2 3.54Å; I34-W114 HydrophobicContact CD1-CZ2 3.88Å; I34-W114 HydrophobicContact CD1-CZ3 3.4Å; I34-W114 VanDerWaalsContact CD1-CZ3 3.4Å; I34-W114 HydrophobicContact CG1-CH2 3.71Å; I34-W114 HydrophobicContact CG1-CZ2 3.74Å; I34-W114 HydrophobicContact CG1-CZ3 4.13Å; I34-W114 HydrophobicContact CG2-CD2 4.41Å; I34-W114 HydrophobicContact CG2-CZ2 4.3Å; R92-W114 HydrophobicContact CB-CH2 4.26Å; R92-W114 HydrophobicContact CG-CH2 4.1Å; E94-W114 HydrophobicContact CB-CH2 4.29Å; E94-W114 HydrophobicContact CB-CZ3 4.17Å; E94-W114 HydrophobicContact CG-CH2 3.63Å; E94-W114 HydrophobicContact CG-CZ3 3.99Å; K97-W114 HydrophobicContact CB-CE3 3.93Å; K97-W114 HydrophobicContact CB-CZ3 4.17Å; V98-W114 WeakPolarHBondContact O-CA 3.48Å; L99-W114 HydrophobicContact CB-CD2 4.03Å; L99-W114 HydrophobicContact CB-CE3 3.94Å; L99-W114 HydrophobicContact CB-CH2 3.79Å; L99-W114 HydrophobicContact CB-CZ2 3.89Å; L99-W114 HydrophobicContact CB-CZ3 3.81Å; L99-W114 HydrophobicContact CD1-CD2 4.04Å; L99-W114 HydrophobicContact CD1-CG 4.12Å; L99-W114 HydrophobicContact CD1-CZ2 4.32Å; L99-W114 HydrophobicContact CD2-CZ2 4.38Å; L99-W114 HydrophobicContact CG-CZ2 4.43Å; L99-W114 VanDerWaalsContact N-CZ3 3.26Å
115M93.8Very high90.8Very high13 Ų1339.9 Ų39.96%0.06422%0.222CC..EExtended strand (participates in β ladder)trans-131.7161.1168.1-72.8-175.978.400110.3C13 V67 K97 V98 L100 F113 D121 V122C13-M115 HydrophobicContact CB-CE 4.32Å; C13-M115 VanDerWaalsContact SG-CE 3.51Å; V67-M115 HydrophobicContact CB-SD 4.01Å; V67-M115 HydrophobicContact CG1-SD 3.96Å; K97-M115 CarbonylContact C-O 3.58Å; K97-M115 WeakPolarHBondContact CA-O 3.21Å; V98-M115 PolarHBondContact N-O 3.19Å; V98-M115 PolarHBondContact O-N 3.4Å; L100-M115 HydrophobicContact CD1-CB 3.98Å; L100-M115 HydrophobicContact CD1-CG 3.97Å; L100-M115 HydrophobicContact CD1-SD 3.54Å; L100-M115 VanDerWaalsContact CD1-SD 3.54Å; F113-M115 HydrophobicContact CD2-CG 3.85Å; F113-M115 HydrophobicContact CD2-SD 4.2Å; F113-M115 HydrophobicContact CE2-CG 3.84Å; F113-M115 HydrophobicContact CE2-SD 3.57Å; F113-M115 VanDerWaalsContact CE2-SD 3.57Å; M115-D121 HydrophobicContact CE-CB 4.25Å; M115-V122 HydrophobicContact CE-CG2 3.65Å; M115-V122 HydrophobicContact SD-CG2 4.31Å
116N93.7Very high90.8Very high2 Ų242.3 Ų42.31%0.01124%0.238CC..EExtended strand (participates in β ladder)trans-87.9125.5162.1-174.8-43000108.8Y96 K97 C118 T119 G461 E464Y96-N116 WeakPolarHBondContact O-CA 3.16Å; K97-N116 HydrophobicContact CD-CB 4.45Å; N116-C118 PolarHBondContact O-N 3.24Å; N116-C118 PolarHBondContact OD1-N 2.77Å; N116-T119 HydrophobicContact CB-CG2 3.74Å; N116-T119 WeakPolarHBondContact O-CB 3.28Å; N116-T119 WeakPolarHBondContact O-CG2 3.39Å; N116-T119 PolarHBondContact O-N 3Å; N116-T119 PolarHBondContact O-OG1 3.27Å; N116-G461 PolarHBondContact ND2-O 3.2Å; N116-E464 WeakPolarHBondContact CB-OE2 2.94Å; N116-E464 PolarHBondContact ND2-OE2 3.07Å
117I93.3Very high91.4Very high3 Ų338.3 Ų38.32%0.01522%0.217CC..THydrogen-bonded Turntrans-68.9-19-173.4-160.375.8000113.3F52 L59 I65 Y96 V98 T119 V122 H166F52-I117 HydrophobicContact CD1-CG2 4.41Å; F52-I117 HydrophobicContact CE1-CG2 4.39Å; L59-I117 HydrophobicContact CD1-CB 4.46Å; L59-I117 HydrophobicContact CD1-CD1 4.31Å; L59-I117 HydrophobicContact CD1-CG1 3.93Å; L59-I117 HydrophobicContact CD1-CG2 4.36Å; L59-I117 HydrophobicContact CD2-CD1 4.12Å; L59-I117 HydrophobicContact CD2-CG1 4.23Å; I65-I117 HydrophobicContact CD1-CD1 3.99Å; Y96-I117 HydrophobicContact CD1-CG2 4.24Å; Y96-I117 PolarHBondContact O-N 2.87Å; V98-I117 HydrophobicContact CG2-CB 3.79Å; V98-I117 HydrophobicContact CG2-CD1 4.17Å; V98-I117 HydrophobicContact CG2-CG1 4.35Å; V98-I117 HydrophobicContact CG2-CG2 4.36Å; I117-T119 VanDerWaalsContact C-N 3.29Å; I117-T119 PolarHBondContact O-N 2.82Å; I117-V122 HydrophobicContact CD1-CG1 3.79Å; I117-V122 HydrophobicContact CG1-CG1 4.28Å; I117-H166 PolarHBondContact O-NE2 3.23Å
118C91.6Very high92Very high0 Ų035.7 Ų35.70%019%0.189CC..THydrogen-bonded Turntrans-95.323.1179.4-68.20000112.2L16 Y96 N116 V170 M465L16-C118 WeakPolarHBondContact CD1-O 3.22Å; Y96-C118 HydrophobicContact CD1-CB 4.49Å; Y96-C118 VanDerWaalsContact CD1-SG 3.57Å; N116-C118 PolarHBondContact O-N 3.24Å; N116-C118 PolarHBondContact OD1-N 2.77Å; C118-V170 HydrophobicContact CB-CG1 3.99Å; C118-V170 HydrophobicContact CB-CG2 4.15Å; C118-M465 HydrophobicContact CB-CG 3.73Å; C118-M465 HydrophobicContact CB-SD 3.4Å; C118-M465 WeakPolarHBondContact CB-SD 3.47Å
119T88.9Confident92.2Very high1 Ų136.9 Ų36.91%0.00621%0.208CC..BIsolated β-bridgetrans-84.6158.2175.254.20000111.8C13 P15 N116 I117 D121 V122 H167C13-T119 HydrophobicContact CB-CG2 3.97Å; P15-T119 HydrophobicContact CB-CG2 4.4Å; P15-T119 HydrophobicContact CG-CG2 4.38Å; N116-T119 HydrophobicContact CB-CG2 3.74Å; N116-T119 WeakPolarHBondContact O-CB 3.28Å; N116-T119 WeakPolarHBondContact O-CG2 3.39Å; N116-T119 PolarHBondContact O-N 3Å; N116-T119 PolarHBondContact O-OG1 3.27Å; I117-T119 VanDerWaalsContact C-N 3.29Å; I117-T119 PolarHBondContact O-N 2.82Å; T119-D121 PolarHBondContact O-N 3.08Å; T119-V122 PolarHBondContact O-N 3.32Å; T119-V122 WeakPolarHBondContact OG1-CG2 3.3Å; T119-H167 PolarHBondContact O-CE1 2.67Å
120A87.7Confident92.3Very high36 Ų3635.5 Ų35.530%0.29820%0.202SC..THydrogen-bonded Turntrans-65.9-16.2179.700000113.5R14 L16 H123R14-A120 WeakPolarHBondContact O-CB 3.25Å; R14-A120 PolarHBondContact O-N 3.06Å; R14-A120 VanDerWaalsContact O-N 3.09Å; L16-A120 HydrophobicContact CD2-CB 3.78Å; L16-A120 HydrophobicContact CG-CB 4.29Å; A120-H123 PolarHBondContact O-CE1 3.49Å; A120-H123 PolarHBondContact O-NE2 3.26Å; A120-H123 VanDerWaalsContact O-NE2 3.08Å
121D91.2Very high92.4Very high40 Ų4034.4 Ų34.421%0.21419%0.189CC..THydrogen-bonded Turntrans-94.8-2.3-174.4-59.7-46.8000113.5C13 P68 Y85 M115 T119 H123C13-D121 WeakPolarHBondContact CA-OD2 3.14Å; C13-D121 WeakPolarHBondContact CB-OD2 3.28Å; C13-D121 PolarHBondContact SG-OD2 2.93Å; P68-D121 WeakPolarHBondContact CD-O 2.95Å; P68-D121 HydrophobicContact CG-CB 3.57Å; Y85-D121 WeakPolarHBondContact CE1-O 3.3Å; M115-D121 HydrophobicContact CE-CB 4.25Å; T119-D121 PolarHBondContact O-N 3.08Å; D121-H123 PolarHBondContact O-CD2 2.78Å; D121-H123 VanDerWaalsContact O-CD2 3.3Å
122V93.9Very high92.3Very high0 Ų033.7 Ų33.70%020%0.2CC..  trans-99120.7178.1172.60000109.3I65 V67 M115 I117 T119 L162 H167I65-V122 HydrophobicContact CD1-CG1 4.07Å; V67-V122 HydrophobicContact CG1-CG2 4.06Å; M115-V122 HydrophobicContact CE-CG2 3.65Å; M115-V122 HydrophobicContact SD-CG2 4.31Å; I117-V122 HydrophobicContact CD1-CG1 3.79Å; I117-V122 HydrophobicContact CG1-CG1 4.28Å; T119-V122 PolarHBondContact O-N 3.32Å; T119-V122 WeakPolarHBondContact OG1-CG2 3.3Å; V122-L162 HydrophobicContact CG1-CD1 3.55Å; V122-H167 PolarHBondContact O-CE1 3.13Å; V122-H167 PolarHBondContact O-NE2 2.69Å
123H95.1Very high92.1Very high7 Ų733.7 Ų33.73%0.03220%0.2CC..EExtended strand (participates in β ladder)trans-127.8152.8-173.2-57.4-78.3000113.3I65 E66 Y85 A120 D121 W127 H167I65-H123 WeakPolarHBondContact CA-O 3.45Å; E66-H123 HydrophobicContact CB-CB 4.19Å; E66-H123 PolarHBondContact N-O 2.8Å; E66-H123 PolarHBondContact O-N 3.43Å; Y85-H123 AromaticContact CE1-CD2 3.53Å; Y85-H123 AromaticContact CE1-NE2 3.84Å; A120-H123 PolarHBondContact O-CE1 3.49Å; A120-H123 PolarHBondContact O-NE2 3.26Å; A120-H123 VanDerWaalsContact O-NE2 3.08Å; D121-H123 PolarHBondContact O-CD2 2.78Å; D121-H123 VanDerWaalsContact O-CD2 3.3Å; H123-W127 HydrophobicContact CB-CB 3.6Å; H123-W127 HydrophobicContact CB-CD2 3.87Å; H123-W127 HydrophobicContact CB-CE3 4.05Å; H123-W127 HydrophobicContact CB-CG 3.67Å; H123-W127 AromaticContact CD2-CD2 3.88Å; H123-W127 AromaticContact CD2-CE3 3.57Å; H123-W127 AromaticContact CD2-CH2 4Å; H123-W127 AromaticContact CD2-CZ3 3.63Å; H123-W127 AromaticContact CE1-CD2 3.86Å; H123-W127 AromaticContact CE1-CE2 3.47Å; H123-W127 VanDerWaalsContact CE1-CE2 3.47Å; H123-W127 AromaticContact CE1-CH2 3.66Å; H123-W127 AromaticContact CE1-CZ2 3.4Å; H123-W127 WeakPolarHBondContact CE1-CZ2 3.47Å; H123-W127 AromaticContact CE1-NE1 3.95Å; H123-W127 AromaticContact CG-CD2 3.44Å; H123-W127 VanDerWaalsContact CG-CD2 3.44Å; H123-W127 AromaticContact CG-CE2 3.87Å; H123-W127 AromaticContact CG-CE3 3.59Å; H123-W127 AromaticContact CG-CG 3.7Å; H123-W127 AromaticContact ND1-CD1 3.73Å; H123-W127 AromaticContact ND1-CD2 3.42Å; H123-W127 AromaticContact ND1-CE2 3.35Å; H123-W127 AromaticContact ND1-CE3 3.95Å; H123-W127 AromaticContact ND1-CG 3.68Å; H123-W127 AromaticContact ND1-CZ2 3.81Å; H123-W127 AromaticContact ND1-NE1 3.54Å; H123-W127 AromaticContact NE2-CE3 3.94Å; H123-W127 AromaticContact NE2-CH2 3.47Å; H123-W127 WeakPolarHBondContact NE2-CH2 3.31Å; H123-W127 AromaticContact NE2-CZ2 3.74Å; H123-W127 AromaticContact NE2-CZ3 3.61Å; H123-H167 AromaticContact CE1-NE2 3.55Å; H123-H167 AromaticContact ND1-CD2 3.94Å; H123-H167 AromaticContact ND1-NE2 3.15Å; H123-H167 PolarHBondContact ND1-NE2 3.36Å; H123-H167 VanDerWaalsContact ND1-NE2 3.15Å
124P94.5Very high91.9Very high4 Ų434.1 Ų34.13%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-62.4151.7165.630-36.1000110.5T126 W127 S161 L162P124-T126 PolarHBondContact O-N 2.66Å; P124-W127 VanDerWaalsContact O-CB 3.28Å; P124-W127 WeakPolarHBondContact O-CB 3.5Å; P124-W127 PolarHBondContact O-N 3.32Å; P124-S161 VanDerWaalsContact CA-OG 3.22Å; P124-S161 WeakPolarHBondContact CA-OG 3.35Å; P124-S161 WeakPolarHBondContact CB-OG 3.48Å; P124-L162 HydrophobicContact CB-CB 4.17Å; P124-L162 WeakPolarHBondContact CB-O 3.4Å
125V93.6Very high91.7Very high18 Ų1834.1 Ų34.111%0.10921%0.208CC..THydrogen-bonded Turntrans-53.6141.5167.8176.40000109.1K64 L156 S161K64-V125 HydrophobicContact CB-CG2 3.64Å; K64-V125 WeakPolarHBondContact O-CG2 3.39Å; V125-L156 HydrophobicContact CG1-CD1 3.71Å; V125-L156 HydrophobicContact CG1-CD2 3.83Å; V125-L156 HydrophobicContact CG1-CG 4.34Å; V125-L156 HydrophobicContact CG2-CD2 3.96Å; V125-S161 PolarHBondContact N-OG 2.85Å
126T90Very high91.6Very high59 Ų5937.8 Ų37.836%0.36222%0.224SC..THydrogen-bonded Turntrans87.9-7.2-173.3760000115.5E66 P124 A129 K130E66-T126 PolarHBondContact OE1-N 2.96Å; P124-T126 PolarHBondContact O-N 2.66Å; T126-A129 PolarHBondContact O-N 3.35Å; T126-K130 WeakPolarHBondContact O-CG 3.11Å; T126-K130 PolarHBondContact O-N 2.88Å; T126-K130 WeakPolarHBondContact OG1-CE 3.26Å; T126-K130 PolarHBondContact OG1-NZ 3Å
127W94.4Very high91.4Very high64 Ų6438.1 Ų38.124%0.24223%0.226CC..Hα-helixtrans-64.2-45-177.4179.586.1000112.3E66 Y85 H123 P124 A129 K130 S131 N133E66-W127 PolarHBondContact OE2-N 3.01Å; Y85-W127 HydrophobicContact CD2-CZ3 4.13Å; Y85-W127 HydrophobicContact CE1-CZ3 4.14Å; Y85-W127 HydrophobicContact CE2-CH2 4.24Å; Y85-W127 AromaticContact CE2-CZ3 3.65Å; Y85-W127 HydrophobicContact CE2-CZ3 3.65Å; Y85-W127 AromaticContact CZ-CZ3 3.69Å; H123-W127 HydrophobicContact CB-CB 3.6Å; H123-W127 HydrophobicContact CB-CD2 3.87Å; H123-W127 HydrophobicContact CB-CE3 4.05Å; H123-W127 HydrophobicContact CB-CG 3.67Å; H123-W127 AromaticContact CD2-CD2 3.88Å; H123-W127 AromaticContact CD2-CE3 3.57Å; H123-W127 AromaticContact CD2-CH2 4Å; H123-W127 AromaticContact CD2-CZ3 3.63Å; H123-W127 AromaticContact CE1-CD2 3.86Å; H123-W127 AromaticContact CE1-CE2 3.47Å; H123-W127 VanDerWaalsContact CE1-CE2 3.47Å; H123-W127 AromaticContact CE1-CH2 3.66Å; H123-W127 AromaticContact CE1-CZ2 3.4Å; H123-W127 WeakPolarHBondContact CE1-CZ2 3.47Å; H123-W127 AromaticContact CE1-NE1 3.95Å; H123-W127 AromaticContact CG-CD2 3.44Å; H123-W127 VanDerWaalsContact CG-CD2 3.44Å; H123-W127 AromaticContact CG-CE2 3.87Å; H123-W127 AromaticContact CG-CE3 3.59Å; H123-W127 AromaticContact CG-CG 3.7Å; H123-W127 AromaticContact ND1-CD1 3.73Å; H123-W127 AromaticContact ND1-CD2 3.42Å; H123-W127 AromaticContact ND1-CE2 3.35Å; H123-W127 AromaticContact ND1-CE3 3.95Å; H123-W127 AromaticContact ND1-CG 3.68Å; H123-W127 AromaticContact ND1-CZ2 3.81Å; H123-W127 AromaticContact ND1-NE1 3.54Å; H123-W127 AromaticContact NE2-CE3 3.94Å; H123-W127 AromaticContact NE2-CH2 3.47Å; H123-W127 WeakPolarHBondContact NE2-CH2 3.31Å; H123-W127 AromaticContact NE2-CZ2 3.74Å; H123-W127 AromaticContact NE2-CZ3 3.61Å; P124-W127 VanDerWaalsContact O-CB 3.28Å; P124-W127 WeakPolarHBondContact O-CB 3.5Å; P124-W127 PolarHBondContact O-N 3.32Å; W127-A129 VanDerWaalsContact C-N 3.29Å; W127-A129 PolarHBondContact O-N 3.44Å; W127-K130 CarbonylContact O-C 3.55Å; W127-K130 WeakPolarHBondContact O-CB 3.26Å; W127-K130 PolarHBondContact O-N 3.29Å; W127-S131 WeakPolarHBondContact O-CB 3.35Å; W127-S131 PolarHBondContact O-N 3.15Å; W127-S131 PolarHBondContact O-OG 2.72Å; W127-N133 WeakPolarHBondContact CH2-ND2 3.34Å; W127-N133 HydrophobicContact CZ3-CB 4.09Å; W127-N133 WeakPolarHBondContact CZ3-ND2 3.47Å
128C93.3Very high91.2Very high3 Ų338 Ų382%0.0223%0.225CC..Hα-helixtrans-57.9-42.8177.9-75.10000112.1E66 Y85 K130 S131 G132 N133E66-C128 WeakPolarHBondContact OE2-CB 3.02Å; E66-C128 PolarHBondContact OE2-N 3.44Å; E66-C128 PolarHBondContact OE2-SG 2.81Å; Y85-C128 WeakPolarHBondContact CB-SG 3.32Å; C128-K130 PolarHBondContact O-N 2.97Å; C128-S131 PolarHBondContact O-N 2.82Å; C128-G132 PolarHBondContact O-N 3.08Å; C128-N133 HydrophobicContact CB-CB 4.19Å; C128-N133 PolarHBondContact O-N 3.35Å; C128-N133 VanDerWaalsContact O-N 3.17Å
129A90.4Very high91Very high89 Ų8942.6 Ų42.674%0.73625%0.245SC*.Hα-helixtrans-62.5-32.6177.500000112.4T126 W127T126-A129 PolarHBondContact O-N 3.35Å; W127-A129 VanDerWaalsContact C-N 3.29Å; W127-A129 PolarHBondContact O-N 3.44Å
130K92Very high90.9Very high127 Ų12745.6 Ų45.655%0.55226%0.264SS*.Hα-helixtrans-82.4-35.2177.5-69.2165.8177.4156.30113.1T126 W127 C128 E164T126-K130 WeakPolarHBondContact O-CG 3.11Å; T126-K130 PolarHBondContact O-N 2.88Å; T126-K130 WeakPolarHBondContact OG1-CE 3.26Å; T126-K130 PolarHBondContact OG1-NZ 3Å; W127-K130 CarbonylContact O-C 3.55Å; W127-K130 WeakPolarHBondContact O-CB 3.26Å; W127-K130 PolarHBondContact O-N 3.29Å; C128-K130 PolarHBondContact O-N 2.97Å; K130-E164 IonicContact NZ-OE1 2.79Å; K130-E164 PolarHBondContact NZ-OE1 2.78Å; K130-E164 IonicContact NZ-OE2 3.31Å; K130-E164 PolarHBondContact NZ-OE2 3.43Å
131S90.6Very high90.7Very high54 Ų5444 Ų4438%0.37825%0.25SS..Hα-helixtrans-91.9-9.2-172.7730000113.9W127 C128 N133W127-S131 WeakPolarHBondContact O-CB 3.35Å; W127-S131 PolarHBondContact O-N 3.15Å; W127-S131 PolarHBondContact O-OG 2.72Å; C128-S131 PolarHBondContact O-N 2.82Å; S131-N133 VanDerWaalsContact C-N 3.3Å; S131-N133 PolarHBondContact OG-N 3.26Å; S131-N133 PolarHBondContact OG-ND2 3Å
132G88Confident89.8Confident54 Ų5446.3 Ų46.356%0.55726%0.262SS*.THydrogen-bonded Turntrans77.913.4-173.800000114C128C128-G132 PolarHBondContact O-N 3.08Å
133N90.5Very high88.8Confident34 Ų3452.5 Ų52.518%0.18230%0.3CS..  trans-79.4164.8170.5-74.2-55.3000111.1S83 Y85 W127 C128 S131S83-N133 PolarHBondContact N-OD1 2.89Å; S83-N133 WeakPolarHBondContact O-CB 3.42Å; S83-N133 PolarHBondContact O-OD1 2.78Å; Y85-N133 HydrophobicContact CD2-CB 4.13Å; Y85-N133 HydrophobicContact CE2-CB 4.29Å; W127-N133 WeakPolarHBondContact CH2-ND2 3.34Å; W127-N133 HydrophobicContact CZ3-CB 4.09Å; W127-N133 WeakPolarHBondContact CZ3-ND2 3.47Å; C128-N133 HydrophobicContact CB-CB 4.19Å; C128-N133 PolarHBondContact O-N 3.35Å; C128-N133 VanDerWaalsContact O-N 3.17Å; S131-N133 VanDerWaalsContact C-N 3.3Å; S131-N133 PolarHBondContact OG-N 3.26Å; S131-N133 PolarHBondContact OG-ND2 3Å
134I89Confident87.7Confident55 Ų5557.4 Ų57.428%0.28233%0.326SS..EExtended strand (participates in β ladder)trans-105.5127.5-171.1-45.6175.7000109.9F80 A82 S83 C84 Y85 K136F80-I134 HydrophobicContact CE1-CD1 4.13Å; A82-I134 HydrophobicContact CB-CD1 4.21Å; A82-I134 HydrophobicContact CB-CG1 4.01Å; S83-I134 PolarHBondContact O-N 3.26Å; C84-I134 WeakPolarHBondContact CA-O 3.16Å; Y85-I134 PolarHBondContact N-O 2.94Å; I134-K136 HydrophobicContact CG2-CG 3.74Å
135L91.1Very high86.7Confident54 Ų5458.6 Ų58.628%0.28334%0.335SS..EExtended strand (participates in β ladder)trans-94.5110.4169.8-162.275.9000109.6E66 Y85 W86 I87 L152E66-L135 HydrophobicContact CG-CD1 4.14Å; Y85-L135 WeakPolarHBondContact O-CA 3.38Å; W86-L135 HydrophobicContact CE3-CD1 4.22Å; W86-L135 HydrophobicContact CE3-CG 3.79Å; W86-L135 HydrophobicContact CZ3-CD2 4.42Å; W86-L135 HydrophobicContact CZ3-CG 3.99Å; I87-L135 HydrophobicContact CD1-CD2 4.13Å; I87-L135 HydrophobicContact CG1-CD1 4.07Å; I87-L135 HydrophobicContact CG1-CD2 4.07Å; L135-L152 HydrophobicContact CD2-CD1 3.86Å
136K89.9Confident85.8Confident90 Ų9064.1 Ų64.139%0.39137%0.374SS..  trans-134.1142.4178.2-75.4-75.7-173.4171.80111.6N69 Y72 Y85 I134N69-K136 PolarHBondContact ND2-O 2.92Å; Y72-K136 HydrophobicContact CD2-CB 4.04Å; Y72-K136 HydrophobicContact CE2-CB 3.97Å; Y72-K136 HydrophobicContact CE2-CD 4.44Å; Y72-K136 HydrophobicContact CE2-CG 4.14Å; Y72-K136 HydrophobicContact CG-CB 4.46Å; Y85-K136 PolarHBondContact O-N 2.91Å; I134-K136 HydrophobicContact CG2-CG 3.74Å
137P90.4Very high85.7Confident8 Ų865.2 Ų65.25%0.05238%0.378CS..  trans-62.7146.1175.328.7-36.2000110.5N69 W86 L141 W148N69-P137 VanDerWaalsContact ND2-C 3.27Å; N69-P137 PolarHBondContact ND2-O 2.89Å; W86-P137 HydrophobicContact CD2-CB 4.46Å; W86-P137 VanDerWaalsContact CE3-N 3.28Å; W86-P137 HydrophobicContact CH2-CB 3.75Å; W86-P137 HydrophobicContact CH2-CG 4.27Å; W86-P137 HydrophobicContact CZ2-CB 3.68Å; W86-P137 HydrophobicContact CZ3-CB 4.21Å; P137-L141 HydrophobicContact CB-CB 4.45Å; P137-W148 HydrophobicContact CB-CD2 4.11Å; P137-W148 HydrophobicContact CB-CG 4.45Å; P137-W148 HydrophobicContact CB-CZ2 4.04Å; P137-W148 HydrophobicContact CG-CD2 4.29Å; P137-W148 HydrophobicContact CG-CG 4.13Å
138P90.1Very high85.3Confident0 Ų063.4 Ų63.40%037%0.371CS..  trans-45.7138.9164.9-33.937.9000111.2N69 D71 W86 Y102 F105 T140 L141 D142N69-P138 WeakPolarHBondContact ND2-CA 3.43Å; N69-P138 VanDerWaalsContact ND2-N 3.18Å; D71-P138 HydrophobicContact CB-CB 3.99Å; D71-P138 WeakPolarHBondContact OD2-CB 3.38Å; W86-P138 HydrophobicContact CG-CG 4.33Å; Y102-P138 HydrophobicContact CD1-CG 4.36Å; Y102-P138 HydrophobicContact CD2-CG 3.76Å; Y102-P138 HydrophobicContact CE2-CG 4.2Å; Y102-P138 HydrophobicContact CG-CG 3.86Å; F105-P138 HydrophobicContact CE2-CB 3.83Å; F105-P138 HydrophobicContact CE2-CG 3.91Å; F105-P138 HydrophobicContact CZ-CB 4.21Å; P138-T140 PolarHBondContact O-N 2.79Å; P138-T140 VanDerWaalsContact O-N 3.15Å; P138-L141 HydrophobicContact CB-CB 4.49Å; P138-L141 HydrophobicContact CB-CD1 4.37Å; P138-L141 HydrophobicContact CB-CG 4.27Å; P138-L141 HydrophobicContact CG-CD1 4.17Å; P138-L141 CarbonylContact O-C 3.56Å; P138-L141 WeakPolarHBondContact O-CA 3.07Å; P138-L141 WeakPolarHBondContact O-CB 3.41Å; P138-L141 PolarHBondContact O-N 3.22Å; P138-D142 PolarHBondContact O-N 2.78Å
139K87Confident84.9Confident97 Ų9768 Ų6842%0.42240%0.399SS..Hα-helixtrans-56.1-34.7-179.7-77.1175.9179.9179.50112.1D71 Y72 L141 D142D71-K139 VanDerWaalsContact O-CB 3.29Å; D71-K139 WeakPolarHBondContact O-CB 3.38Å; D71-K139 WeakPolarHBondContact O-CD 3.33Å; D71-K139 WeakPolarHBondContact O-CG 3.41Å; D71-K139 PolarHBondContact O-N 2.93Å; D71-K139 PolarHBondContact OD2-N 2.88Å; D71-K139 VanDerWaalsContact OD2-N 3.08Å; Y72-K139 HydrophobicContact CD2-CG 4.2Å; K139-L141 PolarHBondContact O-N 3.16Å; K139-D142 PolarHBondContact O-N 2.86Å
140T86.2Confident84.9Confident65 Ų6568.2 Ų68.240%0.39938%0.384SS..Hα-helixtrans-59.6-30.1174.5-51.10000112.3D71 F105 P138D71-T140 VanDerWaalsContact OD2-CB 3.26Å; D71-T140 WeakPolarHBondContact OD2-CB 3.47Å; D71-T140 PolarHBondContact OD2-N 2.86Å; D71-T140 PolarHBondContact OD2-OG1 2.83Å; F105-T140 HydrophobicContact CE1-CG2 3.75Å; F105-T140 HydrophobicContact CZ-CG2 3.95Å; P138-T140 PolarHBondContact O-N 2.79Å; P138-T140 VanDerWaalsContact O-N 3.15Å
141L84.1Confident84.7Confident3 Ų366.2 Ų66.22%0.01637%0.373CS..Hα-helixtrans-93.4-19.8176.5-64-179.6000113.9E103 F105 P137 P138 K139 T143 L144 W148E103-L141 WeakPolarHBondContact O-CD1 3.43Å; F105-L141 HydrophobicContact CD1-CD2 3.86Å; F105-L141 HydrophobicContact CD1-CG 4.47Å; F105-L141 HydrophobicContact CD2-CD1 3.4Å; F105-L141 VanDerWaalsContact CD2-CD1 3.4Å; F105-L141 HydrophobicContact CD2-CD2 3.77Å; F105-L141 HydrophobicContact CD2-CG 3.67Å; F105-L141 HydrophobicContact CE1-CD2 3.95Å; F105-L141 HydrophobicContact CE1-CG 4.23Å; F105-L141 HydrophobicContact CE2-CD1 3.5Å; F105-L141 VanDerWaalsContact CE2-CD1 3.5Å; F105-L141 HydrophobicContact CE2-CD2 3.9Å; F105-L141 HydrophobicContact CE2-CG 3.44Å; F105-L141 VanDerWaalsContact CE2-CG 3.44Å; F105-L141 HydrophobicContact CG-CD1 4.21Å; F105-L141 HydrophobicContact CG-CD2 3.79Å; F105-L141 HydrophobicContact CG-CG 4.23Å; F105-L141 HydrophobicContact CZ-CD1 4.32Å; F105-L141 HydrophobicContact CZ-CD2 4Å; F105-L141 HydrophobicContact CZ-CG 3.76Å; P137-L141 HydrophobicContact CB-CB 4.45Å; P138-L141 HydrophobicContact CB-CB 4.49Å; P138-L141 HydrophobicContact CB-CD1 4.37Å; P138-L141 HydrophobicContact CB-CG 4.27Å; P138-L141 HydrophobicContact CG-CD1 4.17Å; P138-L141 CarbonylContact O-C 3.56Å; P138-L141 WeakPolarHBondContact O-CA 3.07Å; P138-L141 WeakPolarHBondContact O-CB 3.41Å; P138-L141 PolarHBondContact O-N 3.22Å; K139-L141 PolarHBondContact O-N 3.16Å; L141-T143 PolarHBondContact O-N 3.42Å; L141-L144 HydrophobicContact CB-CD1 4.4Å; L141-L144 HydrophobicContact CD2-CD1 3.46Å; L141-L144 VanDerWaalsContact CD2-CD1 3.46Å; L141-L144 WeakPolarHBondContact O-CB 3.5Å; L141-L144 PolarHBondContact O-N 2.87Å; L141-W148 HydrophobicContact CB-CH2 4.15Å; L141-W148 HydrophobicContact CB-CZ2 3.9Å; L141-W148 HydrophobicContact CD1-CH2 4.25Å; L141-W148 WeakPolarHBondContact O-CZ2 3.44Å
142D71.6Confident84.6Confident88 Ų8864.9 Ų64.947%0.47136%0.362SS..Hα-helixtrans-58.2-25.5-169.9-16232.7000112.9P138 K139P138-D142 PolarHBondContact O-N 2.78Å; K139-D142 PolarHBondContact O-N 2.86Å
143T73.3Confident84.7Confident130 Ų13067.9 Ų67.980%0.79836%0.361SS*.THydrogen-bonded Turntrans-79.2-12.4175.561.40000115.1L141L141-T143 PolarHBondContact O-N 3.42Å
144L72.7Confident84.6Confident109 Ų10971 Ų7157%0.57138%0.378SS*.THydrogen-bonded Turntrans-87.9-17.2-171.4-64.1171000114.1L141L141-L144 HydrophobicContact CB-CD1 4.4Å; L141-L144 HydrophobicContact CD2-CD1 3.46Å; L141-L144 VanDerWaalsContact CD2-CD1 3.46Å; L141-L144 WeakPolarHBondContact O-CB 3.5Å; L141-L144 PolarHBondContact O-N 2.87Å
145S72.3Confident84.7Confident30 Ų3070.6 Ų70.621%0.2138%0.376CS..  trans-155.4134.5177.3-174.90000111.2D147 W148S145-D147 PolarHBondContact OG-N 3.32Å; S145-D147 VanDerWaalsContact OG-N 3.1Å; S145-W148 VanDerWaalsContact O-CD1 3.28Å; S145-W148 PolarHBondContact O-NE1 3.15Å
146S75.6Confident84.6Confident133 Ų13370.1 Ų70.193%0.9337%0.374SS*.SBendtrans-86.3-9.7168.158.20000113.1
147D86.7Confident84.6Confident82 Ų8270.5 Ų70.544%0.43939%0.388SS..  trans-124.667.6-176-169.40.9000111.3S145 V149 H150 R151S145-D147 PolarHBondContact OG-N 3.32Å; S145-D147 VanDerWaalsContact OG-N 3.1Å; D147-V149 PolarHBondContact O-N 2.73Å; D147-H150 PolarHBondContact OD1-N 3.04Å; D147-H150 VanDerWaalsContact OD1-N 3.09Å; D147-H150 WeakPolarHBondContact OD2-CB 3.47Å; D147-R151 PolarHBondContact O-N 3.39Å
148W86.3Confident84.3Confident26 Ų2673.7 Ų73.710%0.09842%0.422CS..Hα-helixtrans-68.1-24.7174.8-75.9104.6000112.9W86 P137 L141 S145 R151 L152W86-W148 HydrophobicContact CH2-CB 4.35Å; W86-W148 HydrophobicContact CH2-CD2 4.09Å; W86-W148 AromaticContact CH2-CE3 3.88Å; W86-W148 HydrophobicContact CH2-CE3 3.88Å; W86-W148 HydrophobicContact CH2-CG 4.31Å; W86-W148 HydrophobicContact CZ2-CD2 4.14Å; W86-W148 AromaticContact CZ2-CE3 3.62Å; W86-W148 HydrophobicContact CZ2-CE3 3.62Å; W86-W148 AromaticContact CZ2-CZ3 3.84Å; W86-W148 HydrophobicContact CZ2-CZ3 3.84Å; P137-W148 HydrophobicContact CB-CD2 4.11Å; P137-W148 HydrophobicContact CB-CG 4.45Å; P137-W148 HydrophobicContact CB-CZ2 4.04Å; P137-W148 HydrophobicContact CG-CD2 4.29Å; P137-W148 HydrophobicContact CG-CG 4.13Å; L141-W148 HydrophobicContact CB-CH2 4.15Å; L141-W148 HydrophobicContact CB-CZ2 3.9Å; L141-W148 HydrophobicContact CD1-CH2 4.25Å; L141-W148 WeakPolarHBondContact O-CZ2 3.44Å; S145-W148 VanDerWaalsContact O-CD1 3.28Å; S145-W148 PolarHBondContact O-NE1 3.15Å; W148-R151 HydrophobicContact CE3-CB 4.45Å; W148-R151 PolarHBondContact O-N 3.34Å; W148-L152 WeakPolarHBondContact O-CB 3.19Å; W148-L152 WeakPolarHBondContact O-CG 3.13Å; W148-L152 PolarHBondContact O-N 3Å
149V86.3Confident84.2Confident101 Ų10175.6 Ų75.661%0.61244%0.435SS*.Hα-helixtrans-62.6-55.2180178.20000109.9D147 R151 L152 E153D147-V149 PolarHBondContact O-N 2.73Å; V149-R151 VanDerWaalsContact C-N 3.28Å; V149-R151 PolarHBondContact O-N 2.91Å; V149-L152 PolarHBondContact O-N 2.97Å; V149-E153 WeakPolarHBondContact O-CG 3.47Å; V149-E153 PolarHBondContact O-N 2.96Å
150H88.4Confident84.3Confident92 Ų9278.8 Ų78.843%0.42645%0.446SS..Hα-helixtrans-63.7-35.8-179.8-172.857.5000112.3D147 E153 N154D147-H150 PolarHBondContact OD1-N 3.04Å; D147-H150 VanDerWaalsContact OD1-N 3.09Å; D147-H150 WeakPolarHBondContact OD2-CB 3.47Å; H150-E153 IonicContact ND1-OE2 2.64Å; H150-E153 PolarHBondContact O-N 2.76Å; H150-N154 PolarHBondContact CD2-ND2 2.8Å; H150-N154 PolarHBondContact CE1-ND2 2.84Å; H150-N154 PolarHBondContact NE2-ND2 3.07Å; H150-N154 PolarHBondContact O-N 3.4Å; H150-N154 PolarHBondContact O-ND2 3Å
151R88.6Confident84.6Confident85 Ų8577.6 Ų77.632%0.32144%0.44SS..Hα-helixtrans-65.2-42.8176.9-169169.4-176.8166.72.2111.9E106 D147 W148 V149 N154 L155E106-R151 IonicContact OE1-CZ 2.65Å; E106-R151 IonicContact OE1-NH2 2.66Å; E106-R151 PolarHBondContact OE1-NH2 2.84Å; D147-R151 PolarHBondContact O-N 3.39Å; W148-R151 HydrophobicContact CE3-CB 4.45Å; W148-R151 PolarHBondContact O-N 3.34Å; V149-R151 VanDerWaalsContact C-N 3.28Å; V149-R151 PolarHBondContact O-N 2.91Å; R151-N154 PolarHBondContact O-N 3.15Å; R151-L155 VanDerWaalsContact O-CB 3.25Å; R151-L155 WeakPolarHBondContact O-CB 3.27Å; R151-L155 PolarHBondContact O-N 3.25Å
152L89.4Confident85Confident26 Ų2678 Ų7814%0.13644%0.442CS..Hα-helixtrans-66.1-40.9176-72.2175.7000111.5W86 I87 L135 W148 V149 N154 L155 L156W86-L152 HydrophobicContact CH2-CD1 3.82Å; W86-L152 HydrophobicContact CH2-CD2 4.06Å; W86-L152 HydrophobicContact CH2-CG 4.18Å; W86-L152 HydrophobicContact CZ2-CD2 4.19Å; W86-L152 HydrophobicContact CZ3-CD1 3.98Å; I87-L152 HydrophobicContact CD1-CD2 3.6Å; I87-L152 HydrophobicContact CG1-CD2 4.08Å; L135-L152 HydrophobicContact CD2-CD1 3.86Å; W148-L152 WeakPolarHBondContact O-CB 3.19Å; W148-L152 WeakPolarHBondContact O-CG 3.13Å; W148-L152 PolarHBondContact O-N 3Å; V149-L152 PolarHBondContact O-N 2.97Å; L152-N154 VanDerWaalsContact C-N 3.35Å; L152-N154 PolarHBondContact O-N 3.3Å; L152-L155 HydrophobicContact CD2-CD2 4.17Å; L152-L155 PolarHBondContact O-N 2.81Å; L152-L156 VanDerWaalsContact O-CB 3.26Å; L152-L156 WeakPolarHBondContact O-CB 3.25Å; L152-L156 VanDerWaalsContact O-CG 3.24Å; L152-L156 WeakPolarHBondContact O-CG 3.24Å; L152-L156 PolarHBondContact O-N 3.49Å
153E89.4Confident85.9Confident118 Ų11875.3 Ų75.355%0.55143%0.43SS*.Hα-helixtrans-57.4-47.8174.8-74.2177.8163.200111.6V149 H150 L156 S157V149-E153 WeakPolarHBondContact O-CG 3.47Å; V149-E153 PolarHBondContact O-N 2.96Å; H150-E153 IonicContact ND1-OE2 2.64Å; H150-E153 PolarHBondContact O-N 2.76Å; E153-L156 PolarHBondContact O-N 3.37Å; E153-S157 VanDerWaalsContact O-CB 3.27Å; E153-S157 WeakPolarHBondContact O-CB 3.46Å; E153-S157 PolarHBondContact O-N 3.39Å
154N89.5Confident86.7Confident100 Ų10074.9 Ų74.954%0.53542%0.419SS..Hα-helixtrans-65.7-39.9177.9-70.8-29.1000112.4H150 R151 L152H150-N154 PolarHBondContact CD2-ND2 2.8Å; H150-N154 PolarHBondContact CE1-ND2 2.84Å; H150-N154 PolarHBondContact NE2-ND2 3.07Å; H150-N154 PolarHBondContact O-N 3.4Å; H150-N154 PolarHBondContact O-ND2 3Å; R151-N154 PolarHBondContact O-N 3.15Å; L152-N154 VanDerWaalsContact C-N 3.35Å; L152-N154 PolarHBondContact O-N 3.3Å
155L89.4Confident87.4Confident45 Ų4573.3 Ų73.324%0.23641%0.411CS..Hα-helixtrans-64.7-43.6178.4174.171.1000112K64 I87 E103 R151 L152K64-L155 HydrophobicContact CD-CD1 4.46Å; I87-L155 HydrophobicContact CG2-CD2 4.41Å; E103-L155 HydrophobicContact CB-CD2 3.78Å; E103-L155 HydrophobicContact CG-CD2 3.57Å; E103-L155 VanDerWaalsContact OE2-CD1 3.31Å; E103-L155 WeakPolarHBondContact OE2-CD1 3.31Å; R151-L155 VanDerWaalsContact O-CB 3.25Å; R151-L155 WeakPolarHBondContact O-CB 3.27Å; R151-L155 PolarHBondContact O-N 3.25Å; L152-L155 HydrophobicContact CD2-CD2 4.17Å; L152-L155 PolarHBondContact O-N 2.81Å
156L90.3Very high88.2Confident45 Ų4571.9 Ų71.924%0.23640%0.401CS..Hα-helixtrans-84.2-23.4-172.3-67.3179.2000112.7K64 I87 V125 L152 E153 G158 S159K64-L156 HydrophobicContact CB-CD2 4.02Å; K64-L156 HydrophobicContact CG-CD2 4.06Å; I87-L156 HydrophobicContact CD1-CD1 3.74Å; I87-L156 HydrophobicContact CD1-CD2 3.75Å; I87-L156 HydrophobicContact CD1-CG 4.02Å; V125-L156 HydrophobicContact CG1-CD1 3.71Å; V125-L156 HydrophobicContact CG1-CD2 3.83Å; V125-L156 HydrophobicContact CG1-CG 4.34Å; V125-L156 HydrophobicContact CG2-CD2 3.96Å; L152-L156 VanDerWaalsContact O-CB 3.26Å; L152-L156 WeakPolarHBondContact O-CB 3.25Å; L152-L156 VanDerWaalsContact O-CG 3.24Å; L152-L156 WeakPolarHBondContact O-CG 3.24Å; L152-L156 PolarHBondContact O-N 3.49Å; E153-L156 PolarHBondContact O-N 3.37Å; L156-G158 PolarHBondContact O-N 3.11Å; L156-G158 VanDerWaalsContact O-N 3.12Å; L156-S159 WeakPolarHBondContact CA-OG 3.2Å; L156-S159 PolarHBondContact O-N 2.85Å; L156-S159 PolarHBondContact O-OG 3.23Å
157S89.3Confident88.9Confident98 Ų9866.9 Ų66.969%0.68536%0.363SS*.THydrogen-bonded Turntrans-58.1114.5176.9-171.90000111.4E153 S159E153-S157 VanDerWaalsContact O-CB 3.27Å; E153-S157 WeakPolarHBondContact O-CB 3.46Å; E153-S157 PolarHBondContact O-N 3.39Å; S157-S159 PolarHBondContact O-N 3.05Å
158G83.9Confident89Confident75 Ų7568.4 Ų68.477%0.77337%0.367SS*.THydrogen-bonded Turntrans75.93-179.300000115.2L156L156-G158 PolarHBondContact O-N 3.11Å; L156-G158 VanDerWaalsContact O-N 3.12Å
159S87Confident88.9Confident40 Ų4069.1 Ų69.128%0.2837%0.373SS..  trans-77.8150.3175730000111.8L156 S157L156-S159 WeakPolarHBondContact CA-OG 3.2Å; L156-S159 PolarHBondContact O-N 2.85Å; L156-S159 PolarHBondContact O-OG 3.23Å; S157-S159 PolarHBondContact O-N 3.05Å
160Y90.5Very high89Confident164 Ų16464.3 Ų64.364%0.64334%0.343SS*.  trans-87.5158169.9-65.8-78.6000110.6V63 K64V63-Y160 CarbonylContact C-O 3.48Å; V63-Y160 VanDerWaalsContact CA-O 3.27Å; V63-Y160 WeakPolarHBondContact CA-O 3.26Å; K64-Y160 PolarHBondContact N-O 2.85Å
161S92.7Very high89Confident40 Ų4066.6 Ų66.628%0.2835%0.348SS..BIsolated β-bridgetrans-135.4171.4175170.60000109.3K64 P124 V125K64-S161 WeakPolarHBondContact O-CA 3.3Å; K64-S161 PolarHBondContact O-OG 2.96Å; P124-S161 VanDerWaalsContact CA-OG 3.22Å; P124-S161 WeakPolarHBondContact CA-OG 3.35Å; P124-S161 WeakPolarHBondContact CB-OG 3.48Å; V125-S161 PolarHBondContact N-OG 2.85Å
162L92.1Very high88.7Confident10 Ų1067 Ų675%0.05235%0.354CS..  trans-55.8152.7165.5-73.1171.7000111.4F52 L59 I65 V122 P124 H166F52-L162 HydrophobicContact CE2-CD2 4.3Å; F52-L162 HydrophobicContact CZ-CD2 3.82Å; L59-L162 HydrophobicContact CD2-CD2 3.78Å; I65-L162 HydrophobicContact CB-CD1 4.45Å; I65-L162 HydrophobicContact CG2-CD1 3.6Å; I65-L162 HydrophobicContact CG2-CG 3.64Å; V122-L162 HydrophobicContact CG1-CD1 3.55Å; P124-L162 HydrophobicContact CB-CB 4.17Å; P124-L162 WeakPolarHBondContact CB-O 3.4Å; L162-H166 HydrophobicContact CB-CB 4.43Å
163P89.6Confident88.4Confident33 Ų3373.4 Ų73.421%0.21438%0.376CS..  trans-56.7142.9169.6-22.132.9000111.6L58 N165 H166L58-P163 HydrophobicContact CD1-CG 4.42Å; P163-N165 WeakPolarHBondContact CB-OD1 3.29Å; P163-N165 PolarHBondContact O-N 3.16Å; P163-N165 VanDerWaalsContact O-N 3.17Å; P163-H166 VanDerWaalsContact O-CB 3.26Å; P163-H166 WeakPolarHBondContact O-CB 3.18Å; P163-H166 PolarHBondContact O-N 3.42Å
164E90.1Very high88.2Confident121 Ų12168 Ų6857%0.56535%0.351SS*.THydrogen-bonded Turntrans-57.2-32177.6-70.8-79177.400112.6K130K130-E164 IonicContact NZ-OE1 2.79Å; K130-E164 PolarHBondContact NZ-OE1 2.78Å; K130-E164 IonicContact NZ-OE2 3.31Å; K130-E164 PolarHBondContact NZ-OE2 3.43Å
165N88.2Confident87.9Confident75 Ų7568.8 Ų68.840%0.40135%0.35SS..THydrogen-bonded Turntrans-95.620.2178.568-28.4000113.5P163 H167 E168 I169P163-N165 WeakPolarHBondContact CB-OD1 3.29Å; P163-N165 PolarHBondContact O-N 3.16Å; P163-N165 VanDerWaalsContact O-N 3.17Å; N165-H167 VanDerWaalsContact C-N 3.32Å; N165-H167 PolarHBondContact O-N 2.85Å; N165-E168 HydrophobicContact CB-CB 4.26Å; N165-E168 WeakPolarHBondContact O-CB 3.48Å; N165-E168 PolarHBondContact O-N 2.91Å; N165-I169 WeakPolarHBondContact O-CG1 3.33Å; N165-I169 PolarHBondContact O-N 3.45Å
166H88.8Confident87.6Confident0 Ų072 Ų720%036%0.364CS..Hα-helixtrans-47.2-52179.2175.362000112.9F52 I117 L162 P163 E168 I169 V170F52-H166 AromaticContact CD2-CE1 3.8Å; F52-H166 AromaticContact CD2-ND1 3.62Å; F52-H166 AromaticContact CE2-CE1 3.66Å; F52-H166 AromaticContact CE2-ND1 3.34Å; F52-H166 VanDerWaalsContact CE2-ND1 3.34Å; F52-H166 WeakPolarHBondContact CE2-ND1 3.32Å; I117-H166 PolarHBondContact O-NE2 3.23Å; L162-H166 HydrophobicContact CB-CB 4.43Å; P163-H166 VanDerWaalsContact O-CB 3.26Å; P163-H166 WeakPolarHBondContact O-CB 3.18Å; P163-H166 PolarHBondContact O-N 3.42Å; H166-E168 VanDerWaalsContact C-N 3.29Å; H166-E168 PolarHBondContact O-N 2.95Å; H166-I169 PolarHBondContact O-N 2.89Å; H166-V170 WeakPolarHBondContact O-CG2 3.34Å; H166-V170 PolarHBondContact O-N 2.93Å
167H89.6Confident87.5Confident29 Ų2970.3 Ų70.313%0.13436%0.355CS..Hα-helixtrans-62-34.5179.4-69.3-65.8000113.4L16 T119 V122 H123 N165 R171L16-H167 HydrophobicContact CD1-CB 4.34Å; L16-H167 WeakPolarHBondContact CD1-ND1 3.43Å; L16-H167 HydrophobicContact CD2-CB 4.46Å; L16-H167 WeakPolarHBondContact CD2-ND1 3.25Å; T119-H167 PolarHBondContact O-CE1 2.67Å; V122-H167 PolarHBondContact O-CE1 3.13Å; V122-H167 PolarHBondContact O-NE2 2.69Å; H123-H167 AromaticContact CE1-NE2 3.55Å; H123-H167 AromaticContact ND1-CD2 3.94Å; H123-H167 AromaticContact ND1-NE2 3.15Å; H123-H167 PolarHBondContact ND1-NE2 3.36Å; H123-H167 VanDerWaalsContact ND1-NE2 3.15Å; N165-H167 VanDerWaalsContact C-N 3.32Å; N165-H167 PolarHBondContact O-N 2.85Å; H167-R171 VanDerWaalsContact O-CB 3.24Å; H167-R171 WeakPolarHBondContact O-CB 3.24Å; H167-R171 PolarHBondContact O-N 2.73Å
168E89Confident87.3Confident114 Ų11470.4 Ų70.453%0.53335%0.348SS..Hα-helixtrans-71.7-44.7177.5-174.1179.5-172.600110.8N165 H166 V170 R171 E172N165-E168 HydrophobicContact CB-CB 4.26Å; N165-E168 WeakPolarHBondContact O-CB 3.48Å; N165-E168 PolarHBondContact O-N 2.91Å; H166-E168 VanDerWaalsContact C-N 3.29Å; H166-E168 PolarHBondContact O-N 2.95Å; E168-V170 VanDerWaalsContact C-N 3.3Å; E168-V170 PolarHBondContact O-N 2.96Å; E168-R171 PolarHBondContact O-N 3.1Å; E168-E172 HydrophobicContact CG-CG 4.26Å; E168-E172 WeakPolarHBondContact O-CB 3.36Å; E168-E172 VanDerWaalsContact O-CG 3.31Å; E168-E172 WeakPolarHBondContact O-CG 3.37Å; E168-E172 PolarHBondContact O-N 2.96Å
169I85.5Confident87.4Confident41 Ų4171 Ų7121%0.2134%0.337CS..Hα-helixtrans-56.2-46.3175.8-67.2167.2000110.6N165 H166 R173N165-I169 WeakPolarHBondContact O-CG1 3.33Å; N165-I169 PolarHBondContact O-N 3.45Å; H166-I169 PolarHBondContact O-N 2.89Å; I169-R173 WeakPolarHBondContact O-CG 3.41Å; I169-R173 PolarHBondContact O-N 2.91Å
170V88.6Confident87.3Confident0 Ų072.1 Ų72.10%035%0.348CS..Hα-helixtrans-64.7-49.3177.7176.80000110.5L16 C118 H166 E168 E172 R173 C174 M465L16-V170 HydrophobicContact CD1-CB 3.87Å; L16-V170 HydrophobicContact CD1-CG1 3.78Å; C118-V170 HydrophobicContact CB-CG1 3.99Å; C118-V170 HydrophobicContact CB-CG2 4.15Å; H166-V170 WeakPolarHBondContact O-CG2 3.34Å; H166-V170 PolarHBondContact O-N 2.93Å; E168-V170 VanDerWaalsContact C-N 3.3Å; E168-V170 PolarHBondContact O-N 2.96Å; V170-E172 PolarHBondContact O-N 3.16Å; V170-R173 PolarHBondContact O-N 3.19Å; V170-C174 WeakPolarHBondContact O-CB 3.46Å; V170-C174 PolarHBondContact O-N 3.45Å; V170-C174 PolarHBondContact O-SG 3.02Å; V170-C174 VanDerWaalsContact O-SG 3.33Å; V170-M465 HydrophobicContact CG1-SD 4.36Å
171R87Confident87Confident139 Ų13964.5 Ų64.553%0.52532%0.319SS..Hα-helixtrans-60.4-43.8-178.1-171.1-174.8-56.9158.24.7112.7H167 E168 C174 K175H167-R171 VanDerWaalsContact O-CB 3.24Å; H167-R171 WeakPolarHBondContact O-CB 3.24Å; H167-R171 PolarHBondContact O-N 2.73Å; E168-R171 PolarHBondContact O-N 3.1Å; R171-C174 CarbonylContact O-C 3.58Å; R171-C174 PolarHBondContact O-N 3.24Å; R171-K175 PolarHBondContact O-N 3.03Å; R171-K175 VanDerWaalsContact O-N 3.16Å
172E83.4Confident86.6Confident95 Ų9564.1 Ų64.144%0.44431%0.311SS..Hα-helixtrans-62.2-42.2178.8-75.6-63.7129.200111.8E168 V170 K175E168-E172 HydrophobicContact CG-CG 4.26Å; E168-E172 WeakPolarHBondContact O-CB 3.36Å; E168-E172 VanDerWaalsContact O-CG 3.31Å; E168-E172 WeakPolarHBondContact O-CG 3.37Å; E168-E172 PolarHBondContact O-N 2.96Å; V170-E172 PolarHBondContact O-N 3.16Å; E172-K175 VanDerWaalsContact CD-CE 3.44Å; E172-K175 WeakPolarHBondContact O-CG 3.36Å; E172-K175 PolarHBondContact O-N 3.18Å; E172-K175 WeakPolarHBondContact OE1-CE 3.37Å; E172-K175 IonicContact OE1-NZ 2.7Å; E172-K175 PolarHBondContact OE1-NZ 3.14Å; E172-K175 VanDerWaalsContact OE2-CE 3.28Å; E172-K175 WeakPolarHBondContact OE2-CE 3.38Å; E172-K175 IonicContact OE2-NZ 2.69Å; E172-K175 PolarHBondContact OE2-NZ 3.11Å
173R81.7Confident86.5Confident159 Ų15963.6 Ų63.660%0.631%0.309SS*.Hα-helixtrans-77-22.9178.2-67.9-71.1-172.5162.32.7113.4P51 I169 V170P51-R173 HydrophobicContact CB-CB 3.79Å; P51-R173 HydrophobicContact CG-CB 3.76Å; I169-R173 WeakPolarHBondContact O-CG 3.41Å; I169-R173 PolarHBondContact O-N 2.91Å; V170-R173 PolarHBondContact O-N 3.19Å
174C86Confident86.5Confident4 Ų462.2 Ų62.23%0.02730%0.299CS..THydrogen-bonded Turntrans-92.17.6175.2-67.50000113.7T17 P51 V170 R171 Q176 S205T17-C174 HydrophobicContact CG2-CB 3.42Å; T17-C174 VanDerWaalsContact CG2-CB 3.42Å; P51-C174 WeakPolarHBondContact CG-SG 3.35Å; V170-C174 WeakPolarHBondContact O-CB 3.46Å; V170-C174 PolarHBondContact O-N 3.45Å; V170-C174 PolarHBondContact O-SG 3.02Å; V170-C174 VanDerWaalsContact O-SG 3.33Å; R171-C174 CarbonylContact O-C 3.58Å; R171-C174 PolarHBondContact O-N 3.24Å; C174-Q176 PolarHBondContact O-N 3.23Å; C174-S205 WeakPolarHBondContact O-CA 3.35Å
175K82.7Confident86.7Confident117 Ų11756.5 Ų56.551%0.50927%0.272SS..PPolyproline II helixtrans-53136.7178.2-84.2179.1174.1168.90111R171 E172 S205R171-K175 PolarHBondContact O-N 3.03Å; R171-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 VanDerWaalsContact CD-CE 3.44Å; E172-K175 WeakPolarHBondContact O-CG 3.36Å; E172-K175 PolarHBondContact O-N 3.18Å; E172-K175 WeakPolarHBondContact OE1-CE 3.37Å; E172-K175 IonicContact OE1-NZ 2.7Å; E172-K175 PolarHBondContact OE1-NZ 3.14Å; E172-K175 VanDerWaalsContact OE2-CE 3.28Å; E172-K175 WeakPolarHBondContact OE2-CE 3.38Å; E172-K175 IonicContact OE2-NZ 2.69Å; E172-K175 PolarHBondContact OE2-NZ 3.11Å; K175-S205 CarbonylContact O-C 3Å
176Q84.1Confident86.8Confident112 Ų11252.9 Ų52.952%0.52325%0.253SS..PPolyproline II helixtrans-70.6141.9173.7-75.5-178.91.800109.8C174C174-Q176 PolarHBondContact O-N 3.23Å
177V86.8Confident86.8Confident10 Ų1053 Ų536%0.06125%0.254CS..PPolyproline II helixtrans-67.7133.8168178.40000108.6V179 I181 V200 S203 S205 V208 I235 L280V177-V179 PolarHBondContact O-N 3.11Å; V177-I181 HydrophobicContact CG1-CD1 3.85Å; V177-V200 HydrophobicContact CG1-CG1 4.4Å; V177-V200 HydrophobicContact CG1-CG2 4.19Å; V177-S203 PolarHBondContact N-OG 2.77Å; V177-S203 WeakPolarHBondContact O-CB 3.28Å; V177-S203 PolarHBondContact O-OG 3.1Å; V177-S205 PolarHBondContact N-O 2.91Å; V177-V208 HydrophobicContact CB-CG1 3.77Å; V177-V208 HydrophobicContact CG1-CG1 3.95Å; V177-V208 HydrophobicContact CG2-CG1 3.83Å; V177-I235 HydrophobicContact CG1-CD1 4.34Å; V177-I235 HydrophobicContact CG1-CG1 4.25Å; V177-I235 HydrophobicContact CG2-CB 4.01Å; V177-I235 HydrophobicContact CG2-CG1 4.13Å; V177-I235 HydrophobicContact CG2-CG2 3.94Å; V177-L280 HydrophobicContact CG1-CD1 4.03Å; V177-L280 HydrophobicContact CG2-CD2 4.36Å
178N85.8Confident86.7Confident100 Ų10053.5 Ų53.554%0.53526%0.255SS..PPolyproline II helixtrans-60.1134.1179.1-65.7-36.6000110.6I181N178-I181 HydrophobicContact CB-CD1 3.8Å; N178-I181 HydrophobicContact CB-CG1 3.96Å; N178-I181 VanDerWaalsContact O-CG1 3.3Å; N178-I181 WeakPolarHBondContact O-CG1 3.35Å
179V86.9Confident86.4Confident88 Ų8853.7 Ų53.753%0.53325%0.25SS..THydrogen-bonded Turntrans-67.2153171.3176.40000109.1V177 I181 V200 K201V177-V179 PolarHBondContact O-N 3.11Å; V179-I181 PolarHBondContact O-N 3.23Å; V179-V200 WeakPolarHBondContact CG1-O 3.4Å; V179-K201 WeakPolarHBondContact CG1-O 3.47Å
180A84.3Confident86.2Confident64 Ų6455.2 Ų55.253%0.52927%0.265SS..THydrogen-bonded Turntrans71.6-1.6-176.900000116R182 T199 V200A180-R182 PolarHBondContact O-N 3.38Å; A180-T199 WeakPolarHBondContact CA-OG1 3.3Å; A180-T199 PolarHBondContact O-OG1 3.19Å; A180-V200 PolarHBondContact N-O 3.1Å
181I84.2Confident86Confident3 Ų358.1 Ų58.12%0.01528%0.28CS..  trans-50.9130.8166.1-72.4-179.4000108.6V177 N178 V179 L183 T199 V200 D276 D277 L280V177-I181 HydrophobicContact CG1-CD1 3.85Å; N178-I181 HydrophobicContact CB-CD1 3.8Å; N178-I181 HydrophobicContact CB-CG1 3.96Å; N178-I181 VanDerWaalsContact O-CG1 3.3Å; N178-I181 WeakPolarHBondContact O-CG1 3.35Å; V179-I181 PolarHBondContact O-N 3.23Å; I181-L183 HydrophobicContact CG2-CD2 4.03Å; I181-L183 HydrophobicContact CG2-CG 4.17Å; I181-T199 CarbonylContact O-C 3.56Å; I181-T199 VanDerWaalsContact O-CA 3.27Å; I181-T199 WeakPolarHBondContact O-CA 3.4Å; I181-T199 PolarHBondContact O-OG1 3.42Å; I181-V200 HydrophobicContact CB-CB 4.44Å; I181-V200 HydrophobicContact CB-CG2 3.98Å; I181-V200 HydrophobicContact CG2-CG2 4.36Å; I181-V200 PolarHBondContact O-N 3.4Å; I181-D276 HydrophobicContact CG1-CB 4.18Å; I181-D277 HydrophobicContact CD1-CB 4.33Å; I181-L280 HydrophobicContact CD1-CD1 3.66Å
182R85.1Confident85.9Confident32 Ų3253.4 Ų53.412%0.12127%0.268CS..EExtended strand (participates in β ladder)trans-90.5145.3173.8-70.4173.7-66.4170.5-0.8110.8A180 M198 V243 D264 D276A180-R182 PolarHBondContact O-N 3.38Å; R182-M198 WeakPolarHBondContact CA-O 3.48Å; R182-V243 HydrophobicContact CB-CG2 3.63Å; R182-V243 WeakPolarHBondContact O-CG2 3.3Å; R182-D264 IonicContact CZ-OD2 3.37Å; R182-D264 VanDerWaalsContact CZ-OD2 3.29Å; R182-D264 IonicContact NH1-OD2 2.87Å; R182-D264 PolarHBondContact NH1-OD2 2.86Å; R182-D264 IonicContact NH2-OD2 3.57Å; R182-D264 PolarHBondContact NH2-OD2 3.15Å; R182-D276 IonicContact NH2-OD1 2.75Å
183L89.4Confident86Confident0 Ų053.1 Ų53.10%027%0.269CS..EExtended strand (participates in β ladder)trans-143.9175.7-179.1-58.6168.6000108.9I181 P197 M198 V200 V210 I235 L240 F281I181-L183 HydrophobicContact CG2-CD2 4.03Å; I181-L183 HydrophobicContact CG2-CG 4.17Å; L183-P197 WeakPolarHBondContact O-CA 3.09Å; L183-M198 HydrophobicContact CB-CB 4.29Å; L183-M198 PolarHBondContact N-O 3.42Å; L183-M198 PolarHBondContact O-N 3.09Å; L183-V200 HydrophobicContact CD1-CG2 4.02Å; L183-V210 HydrophobicContact CD1-CG1 3.9Å; L183-I235 HydrophobicContact CD1-CD1 3.6Å; L183-I235 HydrophobicContact CD2-CD1 4.39Å; L183-L240 HydrophobicContact CD1-CD1 4.19Å; L183-F281 HydrophobicContact CD2-CE2 3.43Å; L183-F281 VanDerWaalsContact CD2-CE2 3.43Å; L183-F281 HydrophobicContact CD2-CZ 3.36Å
184E90.2Very high86.4Confident3 Ų345.8 Ų45.81%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-125.6152.6170.3-62.8179.3-175.400110.1V196 F241 G244 W245 A246 F253E184-V196 WeakPolarHBondContact CA-O 3.17Å; E184-F241 HydrophobicContact CB-CB 4.27Å; E184-F241 PolarHBondContact N-O 3.1Å; E184-F241 PolarHBondContact O-N 3.1Å; E184-G244 PolarHBondContact OE1-N 3.31Å; E184-W245 PolarHBondContact OE2-N 3.42Å; E184-A246 VanDerWaalsContact OE2-CB 3.3Å; E184-A246 WeakPolarHBondContact OE2-CB 3.22Å; E184-A246 PolarHBondContact OE2-N 2.96Å; E184-F253 HydrophobicContact CG-CE2 3.85Å
185T92.8Very high86.6Confident1 Ų145.6 Ų45.61%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-146.6162.7169.2-167.70000109.5A195 V196 M198 F229 I231 I239T185-A195 CarbonylContact O-C 3.48Å; T185-A195 WeakPolarHBondContact O-CA 3.44Å; T185-A195 WeakPolarHBondContact O-CB 3.25Å; T185-V196 HydrophobicContact CG2-CG2 3.84Å; T185-V196 PolarHBondContact N-O 2.81Å; T185-V196 PolarHBondContact O-N 2.79Å; T185-M198 HydrophobicContact CG2-CE 4.43Å; T185-M198 HydrophobicContact CG2-CG 3.46Å; T185-M198 VanDerWaalsContact CG2-CG 3.46Å; T185-M198 HydrophobicContact CG2-SD 3.69Å; T185-F229 HydrophobicContact CG2-CE1 3.74Å; T185-F229 HydrophobicContact CG2-CZ 4.29Å; T185-I231 HydrophobicContact CG2-CD1 4.14Å; T185-I239 WeakPolarHBondContact CB-O 3.5Å; T185-I239 PolarHBondContact OG1-O 3.18Å
186I91.7Very high87Confident0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-80.2133.2172.6-66.7166.8000109Y188 P192 F241 W245 Y251 C346I186-Y188 HydrophobicContact CB-CD1 4.46Å; I186-Y188 HydrophobicContact CB-CD2 4.16Å; I186-Y188 HydrophobicContact CB-CE1 4.04Å; I186-Y188 HydrophobicContact CB-CE2 3.75Å; I186-Y188 WeakPolarHBondContact CD1-OH 3.41Å; I186-Y188 HydrophobicContact CG2-CD1 3.74Å; I186-Y188 HydrophobicContact CG2-CD2 4.26Å; I186-Y188 HydrophobicContact CG2-CE1 3.5Å; I186-Y188 HydrophobicContact CG2-CE2 4.09Å; I186-Y188 HydrophobicContact CG2-CG 4.13Å; I186-Y188 WeakPolarHBondContact O-CD2 3.36Å; I186-Y188 PolarHBondContact O-N 3.1Å; I186-P192 WeakPolarHBondContact CG2-O 3.36Å; I186-F241 HydrophobicContact CD1-CE2 4.2Å; I186-F241 HydrophobicContact CD1-CZ 4.44Å; I186-F241 HydrophobicContact CG1-CE2 4.06Å; I186-W245 HydrophobicContact CD1-CH2 4.29Å; I186-Y251 HydrophobicContact CD1-CE1 4.2Å; I186-Y251 HydrophobicContact CG1-CE1 3.92Å; I186-Y251 HydrophobicContact CG2-CE1 4.42Å; I186-C346 HydrophobicContact CD1-CB 3.45Å; I186-C346 VanDerWaalsContact CD1-CB 3.45Å
187D89Confident87.2Confident1 Ų134.8 Ų34.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-76.668.6179.4-175.7-2.1000111.1R189 S190 N191 P192 A194 V196 R254D187-R189 PolarHBondContact O-N 2.84Å; D187-R189 VanDerWaalsContact O-N 3.09Å; D187-R189 WeakPolarHBondContact OD1-CB 3.14Å; D187-R189 PolarHBondContact OD1-N 2.63Å; D187-R189 IonicContact OD1-NE 3.39Å; D187-S190 PolarHBondContact O-N 3.18Å; D187-S190 PolarHBondContact OD1-N 2.64Å; D187-S190 PolarHBondContact OD1-OG 2.96Å; D187-S190 PolarHBondContact OD2-OG 3.03Å; D187-N191 CarbonylContact O-C 3.51Å; D187-N191 WeakPolarHBondContact O-CA 3.31Å; D187-N191 PolarHBondContact O-N 2.89Å; D187-N191 VanDerWaalsContact O-O 3.08Å; D187-P192 VanDerWaalsContact O-N 3.14Å; D187-A194 PolarHBondContact N-O 3.29Å; D187-V196 HydrophobicContact CB-CG1 3.83Å; D187-V196 HydrophobicContact CB-CG2 4.09Å; D187-R254 IonicContact OD2-CZ 3.55Å; D187-R254 IonicContact OD2-NH1 2.76Å; D187-R254 PolarHBondContact OD2-NH1 2.89Å; D187-R254 IonicContact OD2-NH2 2.62Å
188Y86.4Confident87.4Confident40 Ų4034.3 Ų34.316%0.15719%0.19CC..THydrogen-bonded Turntrans-63-13.7177.3-64-62.9000113.6I186 P192 L315 E344 C346I186-Y188 HydrophobicContact CB-CD1 4.46Å; I186-Y188 HydrophobicContact CB-CD2 4.16Å; I186-Y188 HydrophobicContact CB-CE1 4.04Å; I186-Y188 HydrophobicContact CB-CE2 3.75Å; I186-Y188 WeakPolarHBondContact CD1-OH 3.41Å; I186-Y188 HydrophobicContact CG2-CD1 3.74Å; I186-Y188 HydrophobicContact CG2-CD2 4.26Å; I186-Y188 HydrophobicContact CG2-CE1 3.5Å; I186-Y188 HydrophobicContact CG2-CE2 4.09Å; I186-Y188 HydrophobicContact CG2-CG 4.13Å; I186-Y188 WeakPolarHBondContact O-CD2 3.36Å; I186-Y188 PolarHBondContact O-N 3.1Å; Y188-P192 HydrophobicContact CD1-CB 4.07Å; Y188-L315 HydrophobicContact CD2-CD1 3.65Å; Y188-L315 HydrophobicContact CE2-CD1 4.38Å; Y188-L315 HydrophobicContact CG-CD1 3.71Å; Y188-E344 WeakPolarHBondContact CE1-O 3.3Å; Y188-C346 PolarHBondContact OH-N 3.36Å
189R82Confident87.6Confident118 Ų11830.1 Ų30.145%0.44517%0.168SC..THydrogen-bonded Turntrans-73.3-49.9176.4171.1-166.161.1172.5-10.6111.4D187 E212 G227 F229D187-R189 PolarHBondContact O-N 2.84Å; D187-R189 VanDerWaalsContact O-N 3.09Å; D187-R189 WeakPolarHBondContact OD1-CB 3.14Å; D187-R189 PolarHBondContact OD1-N 2.63Å; D187-R189 IonicContact OD1-NE 3.39Å; R189-E212 IonicContact CZ-OE2 2.82Å; R189-E212 IonicContact NH2-OE2 3.73Å; R189-E212 PolarHBondContact NH2-OE2 3.33Å; R189-G227 PolarHBondContact NH1-O 2.94Å; R189-F229 HydrophobicContact CB-CD2 4.32Å; R189-F229 HydrophobicContact CB-CE2 4.24Å
190S82.1Confident87.8Confident73 Ų7326 Ų2651%0.5114%0.143SC..THydrogen-bonded Turntrans-126.4-27.4-167.982.30000114.6D187 R254D187-S190 PolarHBondContact O-N 3.18Å; D187-S190 PolarHBondContact OD1-N 2.64Å; D187-S190 PolarHBondContact OD1-OG 2.96Å; D187-S190 PolarHBondContact OD2-OG 3.03Å; S190-R254 PolarHBondContact OG-NH1 3.36Å
191N84.6Confident88.1Confident61 Ų6126.7 Ų26.733%0.32613%0.134SC..EExtended strand (participates in β ladder)trans-15284-179.2-174.28.3000111D187 N193 A194D187-N191 CarbonylContact O-C 3.51Å; D187-N191 WeakPolarHBondContact O-CA 3.31Å; D187-N191 PolarHBondContact O-N 2.89Å; D187-N191 VanDerWaalsContact O-O 3.08Å; N191-N193 PolarHBondContact O-N 2.92Å; N191-N193 WeakPolarHBondContact OD1-CB 3.42Å; N191-N193 PolarHBondContact OD1-N 3.46Å; N191-A194 WeakPolarHBondContact ND2-CB 3.27Å; N191-A194 PolarHBondContact O-N 2.88Å
192P85.2Confident88.4Confident41 Ų4129.4 Ų29.427%0.26615%0.153SC..EExtended strand (participates in β ladder)trans-63-11.5-178.726.5-35.1000113I186 D187 Y188 A194 Y251I186-P192 WeakPolarHBondContact CG2-O 3.36Å; D187-P192 VanDerWaalsContact O-N 3.14Å; Y188-P192 HydrophobicContact CD1-CB 4.07Å; P192-A194 VanDerWaalsContact C-N 3.32Å; P192-Y251 PolarHBondContact O-OH 3Å
193N85.8Confident88.8Confident88 Ų8828.4 Ų28.447%0.47115%0.151SC..EExtended strand (participates in β ladder)trans-85.90.5176.6-60.9-48.6000113.7N191 P252N191-N193 PolarHBondContact O-N 2.92Å; N191-N193 WeakPolarHBondContact OD1-CB 3.42Å; N191-N193 PolarHBondContact OD1-N 3.46Å; N193-P252 VanDerWaalsContact O-CB 3.3Å; N193-P252 WeakPolarHBondContact O-CB 3.13Å; N193-P252 WeakPolarHBondContact O-CD 3.46Å; N193-P252 WeakPolarHBondContact O-CG 3.48Å
194A89.2Confident88.8Confident5 Ų530.4 Ų30.44%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-133.7145.1178.100000112.3D187 N191 P192 P252 R254D187-A194 PolarHBondContact N-O 3.29Å; N191-A194 WeakPolarHBondContact ND2-CB 3.27Å; N191-A194 PolarHBondContact O-N 2.88Å; P192-A194 VanDerWaalsContact C-N 3.32Å; A194-P252 CarbonylContact C-O 3.52Å; A194-P252 VanDerWaalsContact CA-O 3.27Å; A194-P252 WeakPolarHBondContact CA-O 3.48Å; A194-P252 HydrophobicContact CB-CB 4.34Å; A194-R254 HydrophobicContact CB-CB 4.42Å
195A90.8Very high88.7Confident0 Ų030.5 Ų30.50%016%0.164CC..EExtended strand (participates in β ladder)trans-86.2154.3166.600000111.1T185 A246 Y251 P252 F253 R254T185-A195 CarbonylContact O-C 3.48Å; T185-A195 WeakPolarHBondContact O-CA 3.44Å; T185-A195 WeakPolarHBondContact O-CB 3.25Å; A195-A246 HydrophobicContact CB-CB 3.73Å; A195-Y251 HydrophobicContact CB-CD1 4.17Å; A195-P252 PolarHBondContact N-O 2.8Å; A195-F253 HydrophobicContact CB-CD2 3.91Å; A195-R254 PolarHBondContact O-N 3.05Å
196V90.2Very high88.6Confident0 Ų031.7 Ų31.70%017%0.173CC..EExtended strand (participates in β ladder)trans-132.8147.6179.5-70.50000110.4E184 T185 D187 M198 F229 R254E184-V196 WeakPolarHBondContact CA-O 3.17Å; T185-V196 HydrophobicContact CG2-CG2 3.84Å; T185-V196 PolarHBondContact N-O 2.81Å; T185-V196 PolarHBondContact O-N 2.79Å; D187-V196 HydrophobicContact CB-CG1 3.83Å; D187-V196 HydrophobicContact CB-CG2 4.09Å; V196-M198 HydrophobicContact CG2-SD 4.19Å; V196-F229 HydrophobicContact CG2-CD1 4.32Å; V196-F229 HydrophobicContact CG2-CE1 4.04Å; V196-R254 HydrophobicContact CG1-CB 4.18Å
197P89.6Confident88.6Confident2 Ų232.6 Ų32.61%0.01318%0.176CC..EExtended strand (participates in β ladder)trans-73.9137.5175.530.8-34.3000111L183 W213 F253 R254 C255 Y259L183-P197 WeakPolarHBondContact O-CA 3.09Å; P197-W213 HydrophobicContact CB-CB 4.12Å; P197-W213 HydrophobicContact CG-CB 4.32Å; P197-W213 PolarHBondContact O-N 2.88Å; P197-F253 HydrophobicContact CB-CZ 4.03Å; P197-F253 HydrophobicContact CG-CZ 4.17Å; P197-R254 WeakPolarHBondContact CD-O 3.28Å; P197-C255 HydrophobicContact CG-CB 4.15Å; P197-Y259 HydrophobicContact CB-CD2 3.79Å; P197-Y259 HydrophobicContact CB-CE1 4.2Å; P197-Y259 HydrophobicContact CB-CE2 3.37Å; P197-Y259 HydrophobicContact CB-CG 4.35Å; P197-Y259 HydrophobicContact CG-CD2 4.08Å; P197-Y259 HydrophobicContact CG-CE2 4.16Å; P197-Y259 HydrophobicContact CG-CG 4.32Å
198M90.3Very high88.8Confident0 Ų032.8 Ų32.80%018%0.177CC..EExtended strand (participates in β ladder)trans-120.2159.8175.7-56.6-60.5-72.900109.8R182 L183 T185 V196 V210 V211 E212 F229 I231R182-M198 WeakPolarHBondContact CA-O 3.48Å; L183-M198 HydrophobicContact CB-CB 4.29Å; L183-M198 PolarHBondContact N-O 3.42Å; L183-M198 PolarHBondContact O-N 3.09Å; T185-M198 HydrophobicContact CG2-CE 4.43Å; T185-M198 HydrophobicContact CG2-CG 3.46Å; T185-M198 VanDerWaalsContact CG2-CG 3.46Å; T185-M198 HydrophobicContact CG2-SD 3.69Å; V196-M198 HydrophobicContact CG2-SD 4.19Å; M198-V210 HydrophobicContact CB-CB 4.32Å; M198-V210 HydrophobicContact CE-CB 4.28Å; M198-V210 HydrophobicContact CE-CG2 3.87Å; M198-V211 CarbonylContact C-O 2.88Å; M198-V211 VanDerWaalsContact CA-O 3.32Å; M198-V211 WeakPolarHBondContact CA-O 3.46Å; M198-V211 VanDerWaalsContact CE-C 3.42Å; M198-E212 HydrophobicContact SD-CB 4.22Å; M198-F229 HydrophobicContact CE-CD1 4.03Å; M198-F229 HydrophobicContact CE-CE1 4.21Å; M198-F229 HydrophobicContact SD-CD1 3.92Å; M198-F229 HydrophobicContact SD-CE1 4.04Å; M198-I231 HydrophobicContact CE-CD1 4.38Å; M198-I231 HydrophobicContact CE-CG1 4.47Å
199T89.1Confident89.2Confident12 Ų1231.8 Ų31.87%0.07418%0.175CC..EExtended strand (participates in β ladder)trans-137.3142.1170.6-170.30000111.4A180 I181 K201 V210 V211 W213A180-T199 WeakPolarHBondContact CA-OG1 3.3Å; A180-T199 PolarHBondContact O-OG1 3.19Å; I181-T199 CarbonylContact O-C 3.56Å; I181-T199 VanDerWaalsContact O-CA 3.27Å; I181-T199 WeakPolarHBondContact O-CA 3.4Å; I181-T199 PolarHBondContact O-OG1 3.42Å; T199-K201 PolarHBondContact O-N 2.82Å; T199-V210 CarbonylContact O-C 3.52Å; T199-V210 VanDerWaalsContact O-CA 3.26Å; T199-V210 WeakPolarHBondContact O-CA 3.48Å; T199-V211 HydrophobicContact CG2-CG2 3.75Å; T199-V211 PolarHBondContact N-O 3.3Å; T199-V211 PolarHBondContact O-N 3.24Å; T199-W213 HydrophobicContact CG2-CB 4.42Å
200V90.7Very high89.7Confident1 Ų126.2 Ų26.21%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-69.5112.7174.7179.90000108.7V177 V179 A180 I181 L183 V208 V210V177-V200 HydrophobicContact CG1-CG1 4.4Å; V177-V200 HydrophobicContact CG1-CG2 4.19Å; V179-V200 WeakPolarHBondContact CG1-O 3.4Å; A180-V200 PolarHBondContact N-O 3.1Å; I181-V200 HydrophobicContact CB-CB 4.44Å; I181-V200 HydrophobicContact CB-CG2 3.98Å; I181-V200 HydrophobicContact CG2-CG2 4.36Å; I181-V200 PolarHBondContact O-N 3.4Å; L183-V200 HydrophobicContact CD1-CG2 4.02Å; V200-V208 HydrophobicContact CG1-CB 4.32Å; V200-V208 HydrophobicContact CG1-CG1 4.1Å; V200-V208 HydrophobicContact CG2-CG1 4.41Å; V200-V210 HydrophobicContact CG2-CG1 4.01Å
201K91.3Very high90.1Very high80 Ų8023 Ų2335%0.34813%0.131SC..EExtended strand (participates in β ladder)trans-86.6-38.6177179.7172.1-178.7166.40112V179 T199 N209 V211V179-K201 WeakPolarHBondContact CG1-O 3.47Å; T199-K201 PolarHBondContact O-N 2.82Å; K201-N209 PolarHBondContact N-O 3.16Å; K201-V211 HydrophobicContact CB-CG1 4.14Å; K201-V211 HydrophobicContact CB-CG2 4.08Å; K201-V211 HydrophobicContact CD-CG1 3.87Å; K201-V211 HydrophobicContact CD-CG2 4.42Å
202S91.7Very high90.3Very high59 Ų5921 Ų2141%0.41312%0.119SC..EExtended strand (participates in β ladder)trans-153.4160.317563.10000110.6V208 N209S202-V208 WeakPolarHBondContact O-CA 3.4Å; S202-N209 PolarHBondContact N-O 2.71Å; S202-N209 PolarHBondContact O-N 3.36Å; S202-N209 WeakPolarHBondContact OG-CB 3.5Å
203S91.7Very high90Very high12 Ų1221.7 Ų21.78%0.08412%0.117CC..EExtended strand (participates in β ladder)trans-145.7151.8177.367.80000111.6V177 R207V177-S203 PolarHBondContact N-OG 2.77Å; V177-S203 WeakPolarHBondContact O-CB 3.28Å; V177-S203 PolarHBondContact O-OG 3.1Å; S203-R207 CarbonylContact C-O 3.49Å; S203-R207 WeakPolarHBondContact CA-O 3.43Å; S203-R207 WeakPolarHBondContact CB-O 3.33Å
204V89.7Confident89.4Confident42 Ų4221.5 Ų21.526%0.25511%0.113SC..EExtended strand (participates in β ladder)trans-136109.9167.9-176.10000106.8S206 R207 V466 V468V204-S206 PolarHBondContact O-N 3.09Å; V204-R207 PolarHBondContact N-O 3.13Å; V204-R207 PolarHBondContact O-N 3.23Å; V204-V466 HydrophobicContact CG1-CB 4.4Å; V204-V466 WeakPolarHBondContact CG1-O 3.47Å; V204-V468 HydrophobicContact CB-CG2 3.88Å; V204-V468 HydrophobicContact CG1-CG2 3.55Å
205S88.6Confident87.9Confident4 Ų423.3 Ų23.33%0.02813%0.132CC..THydrogen-bonded Turntrans51.3-127.8-166-179.90000110.3C174 K175 V177 R207C174-S205 WeakPolarHBondContact O-CA 3.35Å; K175-S205 CarbonylContact O-C 3Å; V177-S205 PolarHBondContact N-O 2.91Å; S205-R207 VanDerWaalsContact C-N 3.34Å
206S89.8Confident86.1Confident26 Ų2627.2 Ų27.218%0.18216%0.159CC..THydrogen-bonded Turntrans-82.9-4.7179.255.30000114.3V204 N234 I235V204-S206 PolarHBondContact O-N 3.09Å; S206-N234 PolarHBondContact OG-ND2 3.14Å; S206-I235 PolarHBondContact O-N 3.22Å
207R92.8Very high84.3Confident20 Ų2030.6 Ų30.68%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-86.3134.1175.7-67.6-169.571.375.3-0.3110.6S203 V204 S205 C233 T414 G420 D456 Y458 W462S203-R207 CarbonylContact C-O 3.49Å; S203-R207 WeakPolarHBondContact CA-O 3.43Å; S203-R207 WeakPolarHBondContact CB-O 3.33Å; V204-R207 PolarHBondContact N-O 3.13Å; V204-R207 PolarHBondContact O-N 3.23Å; S205-R207 VanDerWaalsContact C-N 3.34Å; R207-C233 WeakPolarHBondContact CA-O 3.4Å; R207-T414 PolarHBondContact NH1-OG1 3.08Å; R207-G420 PolarHBondContact NH2-O 3.22Å; R207-D456 IonicContact NH1-OD1 2.7Å; R207-D456 PolarHBondContact NH1-OD1 2.79Å; R207-Y458 PolarHBondContact NH1-OH 3.03Å; R207-W462 VanDerWaalsContact CD-CH2 3.44Å; R207-W462 HydrophobicContact CG-CH2 3.69Å; R207-W462 HydrophobicContact CG-CZ2 4.47Å; R207-W462 HydrophobicContact CG-CZ3 4.49Å
208V93.5Very high82.5Confident4 Ų433.9 Ų33.92%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-126143-175.7-66.70000110.8V177 V200 S202 V210 N232 C233 I235 L240V177-V208 HydrophobicContact CB-CG1 3.77Å; V177-V208 HydrophobicContact CG1-CG1 3.95Å; V177-V208 HydrophobicContact CG2-CG1 3.83Å; V200-V208 HydrophobicContact CG1-CB 4.32Å; V200-V208 HydrophobicContact CG1-CG1 4.1Å; V200-V208 HydrophobicContact CG2-CG1 4.41Å; S202-V208 WeakPolarHBondContact O-CA 3.4Å; V208-V210 HydrophobicContact CB-CG1 4.2Å; V208-V210 HydrophobicContact CG2-CG1 3.86Å; V208-N232 WeakPolarHBondContact O-CA 3.38Å; V208-C233 PolarHBondContact N-O 2.96Å; V208-C233 PolarHBondContact O-N 3.1Å; V208-I235 HydrophobicContact CG1-CB 4.06Å; V208-I235 HydrophobicContact CG1-CD1 4.15Å; V208-I235 HydrophobicContact CG1-CG1 4.43Å; V208-I235 HydrophobicContact CG2-CB 4.25Å; V208-I235 HydrophobicContact CG2-CD1 4.09Å; V208-L240 HydrophobicContact CG2-CD1 4.18Å
209N93.9Very high80.6Confident20 Ų2040 Ų4011%0.10724%0.237CC..EExtended strand (participates in β ladder)trans-96.8113.9157.5178.7-98.9000106.9K201 S202 N232K201-N209 PolarHBondContact N-O 3.16Å; S202-N209 PolarHBondContact N-O 2.71Å; S202-N209 PolarHBondContact O-N 3.36Å; S202-N209 WeakPolarHBondContact OG-CB 3.5Å; N209-N232 WeakPolarHBondContact CB-OD1 3.46Å; N209-N232 PolarHBondContact ND2-OD1 2.89Å
210V93.1Very high78.8Confident0 Ų041.8 Ų41.80%025%0.25CS..EExtended strand (participates in β ladder)trans-107.7142.1174.7-61.60000109.9L183 M198 T199 V200 V208 Q230 I231 L240L183-V210 HydrophobicContact CD1-CG1 3.9Å; M198-V210 HydrophobicContact CB-CB 4.32Å; M198-V210 HydrophobicContact CE-CB 4.28Å; M198-V210 HydrophobicContact CE-CG2 3.87Å; T199-V210 CarbonylContact O-C 3.52Å; T199-V210 VanDerWaalsContact O-CA 3.26Å; T199-V210 WeakPolarHBondContact O-CA 3.48Å; V200-V210 HydrophobicContact CG2-CG1 4.01Å; V208-V210 HydrophobicContact CB-CG1 4.2Å; V208-V210 HydrophobicContact CG2-CG1 3.86Å; V210-Q230 CarbonylContact O-C 3.5Å; V210-Q230 WeakPolarHBondContact O-CA 3.41Å; V210-I231 HydrophobicContact CG2-CB 3.7Å; V210-I231 HydrophobicContact CG2-CG1 4.44Å; V210-I231 PolarHBondContact N-O 2.88Å; V210-I231 PolarHBondContact O-N 2.77Å; V210-L240 HydrophobicContact CG1-CD1 4.45Å; V210-L240 HydrophobicContact CG2-CD2 4Å
211V91.4Very high76.4Confident6 Ų645.8 Ų45.84%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-127.3150.1179.3-61.40000110.4M198 T199 K201 W213 I228 F229 Q230M198-V211 CarbonylContact C-O 2.88Å; M198-V211 VanDerWaalsContact CA-O 3.32Å; M198-V211 WeakPolarHBondContact CA-O 3.46Å; M198-V211 VanDerWaalsContact CE-C 3.42Å; T199-V211 HydrophobicContact CG2-CG2 3.75Å; T199-V211 PolarHBondContact N-O 3.3Å; T199-V211 PolarHBondContact O-N 3.24Å; K201-V211 HydrophobicContact CB-CG1 4.14Å; K201-V211 HydrophobicContact CB-CG2 4.08Å; K201-V211 HydrophobicContact CD-CG1 3.87Å; K201-V211 HydrophobicContact CD-CG2 4.42Å; V211-W213 PolarHBondContact O-N 3.46Å; V211-I228 HydrophobicContact CB-CG2 3.95Å; V211-I228 HydrophobicContact CG1-CG2 4.02Å; V211-F229 WeakPolarHBondContact CA-O 3.25Å; V211-Q230 HydrophobicContact CG1-CB 4.03Å
212E88Confident74.2Confident18 Ų1848 Ų488%0.08430%0.299CS..EExtended strand (participates in β ladder)trans-55.9129.3174.3-171.4174.3176.600109.9R189 M198 H214 F229 R254R189-E212 IonicContact CZ-OE2 2.82Å; R189-E212 IonicContact NH2-OE2 3.73Å; R189-E212 PolarHBondContact NH2-OE2 3.33Å; M198-E212 HydrophobicContact SD-CB 4.22Å; E212-H214 PolarHBondContact O-CD2 3.38Å; E212-H214 IonicContact OE1-CE1 2.74Å; E212-F229 HydrophobicContact CB-CB 4.12Å; E212-F229 HydrophobicContact CB-CD1 4.44Å; E212-F229 PolarHBondContact N-O 3.31Å; E212-R254 IonicContact OE1-CZ 3.5Å; E212-R254 IonicContact OE1-NH2 3.53Å; E212-R254 PolarHBondContact OE1-NH2 2.76Å; E212-R254 IonicContact OE2-NH2 3.89Å
213W78.3Confident72Confident57 Ų5747.7 Ų47.722%0.21630%0.3CS..  trans-83.3128.4-177.4-177.195.9000110.3P197 T199 V211 G215 Y259P197-W213 HydrophobicContact CB-CB 4.12Å; P197-W213 HydrophobicContact CG-CB 4.32Å; P197-W213 PolarHBondContact O-N 2.88Å; T199-W213 HydrophobicContact CG2-CB 4.42Å; V211-W213 PolarHBondContact O-N 3.46Å; W213-G215 VanDerWaalsContact CE3-N 3.28Å; W213-G215 VanDerWaalsContact CZ2-CA 3.4Å; W213-G215 VanDerWaalsContact CZ3-CA 3.44Å; W213-Y259 AromaticContact CD2-CD2 3.9Å; W213-Y259 HydrophobicContact CD2-CD2 3.9Å; W213-Y259 HydrophobicContact CD2-CE2 4.41Å; W213-Y259 AromaticContact CE3-CD2 3.48Å; W213-Y259 HydrophobicContact CE3-CD2 3.48Å; W213-Y259 VanDerWaalsContact CE3-CD2 3.48Å; W213-Y259 HydrophobicContact CE3-CE2 4.36Å; W213-Y259 HydrophobicContact CE3-CG 4.24Å; W213-Y259 AromaticContact CH2-CD2 3.91Å; W213-Y259 HydrophobicContact CH2-CD2 3.91Å; W213-Y259 HydrophobicContact CH2-CG 4.49Å; W213-Y259 HydrophobicContact CZ2-CD2 4.29Å; W213-Y259 VanDerWaalsContact CZ3-CB 3.5Å; W213-Y259 AromaticContact CZ3-CD2 3.53Å; W213-Y259 HydrophobicContact CZ3-CD2 3.53Å; W213-Y259 AromaticContact CZ3-CG 4Å; W213-Y259 HydrophobicContact CZ3-CG 4Å
214H73.2Confident69.5Low84 Ų8450.9 Ų50.939%0.38933%0.327SS..  trans-119.912.3-177.5-67.4-60.5000114.7E212 S216E212-H214 PolarHBondContact O-CD2 3.38Å; E212-H214 IonicContact OE1-CE1 2.74Å; H214-S216 PolarHBondContact O-N 2.86Å
215G58.9Low67.3Low43 Ų4357.2 Ų57.244%0.44336%0.359SS..SBendtrans72.6-7173.400000116.5W213W213-G215 VanDerWaalsContact CE3-N 3.28Å; W213-G215 VanDerWaalsContact CZ2-CA 3.4Å; W213-G215 VanDerWaalsContact CZ3-CA 3.44Å
216S52.8Low65.3Low81 Ų8159.4 Ų59.457%0.56638%0.382SS*.SBendtrans-119.2153.5166-53.10000107.8H214H214-S216 PolarHBondContact O-N 2.86Å
217S52.9Low64Low71 Ų7161 Ų6150%0.49740%0.403SS..  trans-30.6137.8-177177.90000113.3D219 S220S217-D219 PolarHBondContact O-N 2.91Å; S217-D219 PolarHBondContact OG-N 2.7Å; S217-S220 WeakPolarHBondContact O-CB 3.47Å; S217-S220 PolarHBondContact O-N 3.48Å; S217-S220 PolarHBondContact O-OG 2.9Å
218P50.1Low63Low72 Ų7263.5 Ų63.547%0.46842%0.417SS..THydrogen-bonded Turntrans-56.4-8177.522.1-32.1000114.5
219D51.4Low62.6Low129 Ų12964.7 Ų64.769%0.6942%0.422SS*.THydrogen-bonded Turntrans-94.2-2.6174-60-35.1000114.5S217 A221S217-D219 PolarHBondContact O-N 2.91Å; S217-D219 PolarHBondContact OG-N 2.7Å; D219-A221 PolarHBondContact O-N 2.85Å
220S50.7Low62.4Low49 Ų4968 Ų6834%0.34344%0.437SS..SBendtrans-69.6119.417761.40000110S217 D222S217-S220 WeakPolarHBondContact O-CB 3.47Å; S217-S220 PolarHBondContact O-N 3.48Å; S217-S220 PolarHBondContact O-OG 2.9Å; S220-D222 PolarHBondContact O-N 2.8Å
221A40.9Very low62.3Low84 Ų8469.2 Ų69.269%0.69444%0.443SS*.  trans-69.950.2-167.400000115.9D219 A223D219-A221 PolarHBondContact O-N 2.85Å; A221-A223 PolarHBondContact O-N 2.88Å
222D45Very low62.4Low127 Ų12770.9 Ų70.968%0.67945%0.452SS*.G310 helixtrans-80.66.5169.7-76.5-21.8000113S220 A224S220-D222 PolarHBondContact O-N 2.8Å; D222-A224 PolarHBondContact O-N 3.41Å
223A44.8Very low62.7Low53 Ų5370.3 Ų70.344%0.43845%0.449SS..G310 helixtrans-671.9168.700000114.3A221 N225 I228A221-A223 PolarHBondContact O-N 2.88Å; A223-N225 VanDerWaalsContact C-N 3.31Å; A223-N225 PolarHBondContact O-N 3.05Å; A223-I228 HydrophobicContact CB-CD1 4.04Å; A223-I228 HydrophobicContact CB-CG1 3.94Å
224A40.5Very low63.4Low79 Ų7967.7 Ų67.765%0.65344%0.44SS*.G310 helixtrans-72.6-13.7-167.100000115.2D222D222-A224 PolarHBondContact O-N 3.41Å
225N42.7Very low64.3Low174 Ų17463.9 Ų63.993%0.9342%0.422SS*.SBendtrans-147.1-6.4178.6-86.1-33.8000117A223A223-N225 VanDerWaalsContact C-N 3.31Å; A223-N225 PolarHBondContact O-N 3.05Å
226G47.1Very low65.7Low50 Ų5066.9 Ų66.952%0.51542%0.423SS..SBendtrans-150.8115.1173.600000108.2
227G61.7Low67.5Low59 Ų5963.4 Ų63.461%0.60840%0.399SS*.  trans-48144.9-170.600000113.5R189 F229R189-G227 PolarHBondContact NH1-O 2.94Å; G227-F229 PolarHBondContact O-N 3.04Å
228I72.3Confident69.1Low74 Ų7463.8 Ų63.838%0.37940%0.4SS..  trans-56.7122.3176.5-61.6172.7000108.1V211 A223 Q230V211-I228 HydrophobicContact CB-CG2 3.95Å; V211-I228 HydrophobicContact CG1-CG2 4.02Å; A223-I228 HydrophobicContact CB-CD1 4.04Å; A223-I228 HydrophobicContact CB-CG1 3.94Å; I228-Q230 PolarHBondContact O-N 2.88Å; I228-Q230 VanDerWaalsContact O-N 3.1Å
229F84.7Confident70.9Confident28 Ų2861.2 Ų61.212%0.12338%0.382CS..  trans-67.7112170.7-179.7-133.6000108T185 R189 V196 M198 V211 E212 G227 I231T185-F229 HydrophobicContact CG2-CE1 3.74Å; T185-F229 HydrophobicContact CG2-CZ 4.29Å; R189-F229 HydrophobicContact CB-CD2 4.32Å; R189-F229 HydrophobicContact CB-CE2 4.24Å; V196-F229 HydrophobicContact CG2-CD1 4.32Å; V196-F229 HydrophobicContact CG2-CE1 4.04Å; M198-F229 HydrophobicContact CE-CD1 4.03Å; M198-F229 HydrophobicContact CE-CE1 4.21Å; M198-F229 HydrophobicContact SD-CD1 3.92Å; M198-F229 HydrophobicContact SD-CE1 4.04Å; V211-F229 WeakPolarHBondContact CA-O 3.25Å; E212-F229 HydrophobicContact CB-CB 4.12Å; E212-F229 HydrophobicContact CB-CD1 4.44Å; E212-F229 PolarHBondContact N-O 3.31Å; G227-F229 PolarHBondContact O-N 3.04Å; F229-I231 HydrophobicContact CE1-CD1 4.29Å; F229-I231 HydrophobicContact CE2-CD1 4.31Å; F229-I231 HydrophobicContact CE2-CG1 4.21Å; F229-I231 HydrophobicContact CZ-CD1 3.79Å; F229-I231 HydrophobicContact CZ-CG1 4.18Å
230Q89.7Confident72.8Confident90 Ų9055.5 Ų55.542%0.42135%0.351SS..EExtended strand (participates in β ladder)trans-133.5146.9-176.666.4174.1-1.900110.1V210 V211 I228V210-Q230 CarbonylContact O-C 3.5Å; V210-Q230 WeakPolarHBondContact O-CA 3.41Å; V211-Q230 HydrophobicContact CG1-CB 4.03Å; I228-Q230 PolarHBondContact O-N 2.88Å; I228-Q230 VanDerWaalsContact O-N 3.1Å
231I92Very high74.5Confident26 Ų2653.4 Ų53.413%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-133.6133.1178.8-54172.3000107.7T185 M198 V210 F229 C233 I239T185-I231 HydrophobicContact CG2-CD1 4.14Å; M198-I231 HydrophobicContact CE-CD1 4.38Å; M198-I231 HydrophobicContact CE-CG1 4.47Å; V210-I231 HydrophobicContact CG2-CB 3.7Å; V210-I231 HydrophobicContact CG2-CG1 4.44Å; V210-I231 PolarHBondContact N-O 2.88Å; V210-I231 PolarHBondContact O-N 2.77Å; F229-I231 HydrophobicContact CE1-CD1 4.29Å; F229-I231 HydrophobicContact CE2-CD1 4.31Å; F229-I231 HydrophobicContact CE2-CG1 4.21Å; F229-I231 HydrophobicContact CZ-CD1 3.79Å; F229-I231 HydrophobicContact CZ-CG1 4.18Å; I231-C233 HydrophobicContact CG2-CB 4.26Å; I231-I239 HydrophobicContact CD1-CD1 4.45Å; I231-I239 HydrophobicContact CG2-CD1 3.89Å
232N93.6Very high76.6Confident41 Ų4149.6 Ų49.622%0.21930%0.304CS..EExtended strand (participates in β ladder)trans-110.9116171.3-63.8-75.7000108.3V208 N209 N419 G420V208-N232 WeakPolarHBondContact O-CA 3.38Å; N209-N232 WeakPolarHBondContact CB-OD1 3.46Å; N209-N232 PolarHBondContact ND2-OD1 2.89Å; N232-N419 VanDerWaalsContact CB-O 3.29Å; N232-N419 WeakPolarHBondContact CB-O 3.42Å; N232-N419 VanDerWaalsContact ND2-CG 3.3Å; N232-N419 PolarHBondContact ND2-ND2 3.05Å; N232-N419 VanDerWaalsContact ND2-ND2 3.17Å; N232-N419 PolarHBondContact ND2-OD1 2.88Å; N232-G420 WeakPolarHBondContact O-CA 3.24Å
233C93.6Very high78.3Confident5 Ų543.6 Ų43.63%0.03427%0.272CS..EExtended strand (participates in β ladder)trans-159.6176.6-176.659.30000110.8R207 V208 I231 L240R207-C233 WeakPolarHBondContact CA-O 3.4Å; V208-C233 PolarHBondContact N-O 2.96Å; V208-C233 PolarHBondContact O-N 3.1Å; I231-C233 HydrophobicContact CG2-CB 4.26Å; C233-L240 VanDerWaalsContact SG-CD1 3.52Å
234N93.4Very high80Confident3 Ų341.8 Ų41.82%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-67.4144162.4-163.6-70000110.8S206 K236 S237 P455 D456S206-N234 PolarHBondContact OG-ND2 3.14Å; N234-K236 PolarHBondContact O-N 3.3Å; N234-K236 VanDerWaalsContact O-N 3.15Å; N234-K236 PolarHBondContact OD1-N 2.75Å; N234-S237 WeakPolarHBondContact O-CB 3.38Å; N234-S237 PolarHBondContact O-N 3.32Å; N234-P455 HydrophobicContact CB-CB 3.86Å; N234-P455 HydrophobicContact CB-CG 4.08Å; N234-P455 WeakPolarHBondContact CB-O 3.44Å; N234-P455 PolarHBondContact ND2-O 3.12Å; N234-D456 PolarHBondContact N-OD1 3.13Å
235I90.9Very high82.1Confident4 Ų438.1 Ų38.12%0.02123%0.228CC..THydrogen-bonded Turntrans-59-25.4176.1-168.954.7000113.5V177 L183 S206 V208 S237 L240 L280 F281V177-I235 HydrophobicContact CG1-CD1 4.34Å; V177-I235 HydrophobicContact CG1-CG1 4.25Å; V177-I235 HydrophobicContact CG2-CB 4.01Å; V177-I235 HydrophobicContact CG2-CG1 4.13Å; V177-I235 HydrophobicContact CG2-CG2 3.94Å; L183-I235 HydrophobicContact CD1-CD1 3.6Å; L183-I235 HydrophobicContact CD2-CD1 4.39Å; S206-I235 PolarHBondContact O-N 3.22Å; V208-I235 HydrophobicContact CG1-CB 4.06Å; V208-I235 HydrophobicContact CG1-CD1 4.15Å; V208-I235 HydrophobicContact CG1-CG1 4.43Å; V208-I235 HydrophobicContact CG2-CB 4.25Å; V208-I235 HydrophobicContact CG2-CD1 4.09Å; I235-S237 VanDerWaalsContact C-N 3.28Å; I235-L240 HydrophobicContact CD1-CD1 4.31Å; I235-L280 HydrophobicContact CB-CD2 4.42Å; I235-L280 HydrophobicContact CG1-CD2 3.77Å; I235-L280 HydrophobicContact CG2-CD2 3.74Å; I235-F281 HydrophobicContact CD1-CZ 4.25Å; I235-F281 HydrophobicContact CG1-CZ 4.38Å
236K89.1Confident84.1Confident105 Ų10529.9 Ų29.946%0.45718%0.184SC..THydrogen-bonded Turntrans-88.713.4173.9-62-165.9172.1-163.60113.7N234 P455N234-K236 PolarHBondContact O-N 3.3Å; N234-K236 VanDerWaalsContact O-N 3.15Å; N234-K236 PolarHBondContact OD1-N 2.75Å; K236-P455 HydrophobicContact CB-CB 4.21Å; K236-P455 HydrophobicContact CB-CG 4.24Å
237S90Very high85.7Confident9 Ų932.2 Ų32.26%0.06319%0.192CC..  trans-61.3137.2177.7-171.80000110.1N234 I235 I239 L240N234-S237 WeakPolarHBondContact O-CB 3.38Å; N234-S237 PolarHBondContact O-N 3.32Å; I235-S237 VanDerWaalsContact C-N 3.28Å; S237-I239 PolarHBondContact O-N 3.5Å; S237-L240 PolarHBondContact O-N 3.16Å
238P86.2Confident86.4Confident79 Ų7931 Ų3151%0.51317%0.169SC..THydrogen-bonded Turntrans-67.8-1.8-176.328.6-37.1000114.3
239I89.5Confident86.6Confident18 Ų1828 Ų289%0.09215%0.154CC..THydrogen-bonded Turntrans-95.2-8.5175.269.2-178.7000112.8T185 I231 S237 P314 L315T185-I239 WeakPolarHBondContact CB-O 3.5Å; T185-I239 PolarHBondContact OG1-O 3.18Å; I231-I239 HydrophobicContact CD1-CD1 4.45Å; I231-I239 HydrophobicContact CG2-CD1 3.89Å; S237-I239 PolarHBondContact O-N 3.5Å; I239-P314 HydrophobicContact CG2-CB 4.48Å; I239-L315 HydrophobicContact CD1-CD2 4.28Å; I239-L315 HydrophobicContact CG2-CD2 4.39Å
240L90.4Very high86.1Confident9 Ų929.2 Ų29.25%0.04717%0.174CC..  trans-103.2137.8175.3-61.2-177.7000109.7L183 V208 V210 C233 I235 S237L183-L240 HydrophobicContact CD1-CD1 4.19Å; V208-L240 HydrophobicContact CG2-CD1 4.18Å; V210-L240 HydrophobicContact CG1-CD1 4.45Å; V210-L240 HydrophobicContact CG2-CD2 4Å; C233-L240 VanDerWaalsContact SG-CD1 3.52Å; I235-L240 HydrophobicContact CD1-CD1 4.31Å; S237-L240 PolarHBondContact O-N 3.16Å
241F87.2Confident85.7Confident5 Ų525.7 Ų25.72%0.02216%0.157CC..BIsolated β-bridgetrans-127.6151.1-177.3-51-70000110.7E184 I186 W245 Y333E184-F241 HydrophobicContact CB-CB 4.27Å; E184-F241 PolarHBondContact N-O 3.1Å; E184-F241 PolarHBondContact O-N 3.1Å; I186-F241 HydrophobicContact CD1-CE2 4.2Å; I186-F241 HydrophobicContact CD1-CZ 4.44Å; I186-F241 HydrophobicContact CG1-CE2 4.06Å; F241-W245 HydrophobicContact CB-CB 3.61Å; F241-W245 HydrophobicContact CB-CD2 3.91Å; F241-W245 HydrophobicContact CB-CE3 4.43Å; F241-W245 HydrophobicContact CB-CG 3.5Å; F241-W245 VanDerWaalsContact CB-CG 3.5Å; F241-W245 AromaticContact CD1-CD1 3.7Å; F241-W245 AromaticContact CD1-CD2 3.91Å; F241-W245 HydrophobicContact CD1-CD2 3.91Å; F241-W245 AromaticContact CD1-CE2 3.65Å; F241-W245 HydrophobicContact CD1-CG 4Å; F241-W245 HydrophobicContact CD1-CZ2 4.25Å; F241-W245 AromaticContact CD1-NE1 3.49Å; F241-W245 HydrophobicContact CD2-CD2 4.08Å; F241-W245 HydrophobicContact CD2-CE3 4.03Å; F241-W245 HydrophobicContact CD2-CZ3 4.37Å; F241-W245 HydrophobicContact CE1-CD2 4.49Å; F241-W245 AromaticContact CE1-CE2 3.9Å; F241-W245 HydrophobicContact CE1-CZ2 4.03Å; F241-W245 AromaticContact CE1-NE1 3.96Å; F241-W245 HydrophobicContact CE2-CH2 4.45Å; F241-W245 HydrophobicContact CE2-CZ3 4.42Å; F241-W245 HydrophobicContact CG-CB 4.4Å; F241-W245 AromaticContact CG-CD1 3.94Å; F241-W245 AromaticContact CG-CD2 3.68Å; F241-W245 HydrophobicContact CG-CD2 3.68Å; F241-W245 AromaticContact CG-CE2 3.93Å; F241-W245 HydrophobicContact CG-CE3 4.11Å; F241-W245 AromaticContact CG-CG 3.78Å; F241-W245 HydrophobicContact CG-CG 3.78Å; F241-W245 HydrophobicContact CZ-CH2 4.42Å; F241-W245 HydrophobicContact CZ-CZ2 4.19Å; F241-Y333 HydrophobicContact CE1-CE1 4.24Å
242P83.9Confident85.5Confident4 Ų427.8 Ų27.83%0.02617%0.172CC..  trans-65.5154.5172.128.3-35000111.3G244 W245 F273 V275 F281P242-G244 PolarHBondContact O-N 3.07Å; P242-W245 WeakPolarHBondContact O-CB 3.39Å; P242-W245 PolarHBondContact O-N 3.2Å; P242-W245 VanDerWaalsContact O-N 3.1Å; P242-F273 HydrophobicContact CB-CD1 3.9Å; P242-F273 HydrophobicContact CB-CG 4.45Å; P242-F273 HydrophobicContact CG-CD1 3.69Å; P242-F273 HydrophobicContact CG-CE1 3.88Å; P242-F273 HydrophobicContact CG-CG 4.44Å; P242-V275 HydrophobicContact CB-CG2 3.96Å; P242-F281 HydrophobicContact CB-CB 4.39Å; P242-F281 HydrophobicContact CB-CD2 4.05Å; P242-F281 HydrophobicContact CB-CG 4.15Å
243V81.8Confident85Confident0 Ų029 Ų290%018%0.176CC..THydrogen-bonded Turntrans-57.6132.2173.7176.40000110.5R182 L265 F273R182-V243 HydrophobicContact CB-CG2 3.63Å; R182-V243 WeakPolarHBondContact O-CG2 3.3Å; V243-L265 HydrophobicContact CG1-CD2 4.22Å; V243-F273 WeakPolarHBondContact O-CD1 3.19Å
244G79.6Confident84.6Confident15 Ų1533.4 Ų33.416%0.15519%0.191CC..THydrogen-bonded Turntrans93.8-5.1-175.700000114E184 P242 A246 S247 Y248E184-G244 PolarHBondContact OE1-N 3.31Å; P242-G244 PolarHBondContact O-N 3.07Å; G244-A246 PolarHBondContact O-N 3.12Å; G244-S247 PolarHBondContact O-N 3.2Å; G244-Y248 VanDerWaalsContact O-CB 3.31Å; G244-Y248 WeakPolarHBondContact O-CB 3.35Å; G244-Y248 PolarHBondContact O-N 2.7Å
245W85.3Confident83.5Confident3 Ų335.1 Ų35.11%0.01120%0.203CC..Hα-helixtrans-55.3-53.5176.6179.696.1000111.3E184 I186 F241 P242 S247 Y248 F249 Y251 L329 Y333E184-W245 PolarHBondContact OE2-N 3.42Å; I186-W245 HydrophobicContact CD1-CH2 4.29Å; F241-W245 HydrophobicContact CB-CB 3.61Å; F241-W245 HydrophobicContact CB-CD2 3.91Å; F241-W245 HydrophobicContact CB-CE3 4.43Å; F241-W245 HydrophobicContact CB-CG 3.5Å; F241-W245 VanDerWaalsContact CB-CG 3.5Å; F241-W245 AromaticContact CD1-CD1 3.7Å; F241-W245 AromaticContact CD1-CD2 3.91Å; F241-W245 HydrophobicContact CD1-CD2 3.91Å; F241-W245 AromaticContact CD1-CE2 3.65Å; F241-W245 HydrophobicContact CD1-CG 4Å; F241-W245 HydrophobicContact CD1-CZ2 4.25Å; F241-W245 AromaticContact CD1-NE1 3.49Å; F241-W245 HydrophobicContact CD2-CD2 4.08Å; F241-W245 HydrophobicContact CD2-CE3 4.03Å; F241-W245 HydrophobicContact CD2-CZ3 4.37Å; F241-W245 HydrophobicContact CE1-CD2 4.49Å; F241-W245 AromaticContact CE1-CE2 3.9Å; F241-W245 HydrophobicContact CE1-CZ2 4.03Å; F241-W245 AromaticContact CE1-NE1 3.96Å; F241-W245 HydrophobicContact CE2-CH2 4.45Å; F241-W245 HydrophobicContact CE2-CZ3 4.42Å; F241-W245 HydrophobicContact CG-CB 4.4Å; F241-W245 AromaticContact CG-CD1 3.94Å; F241-W245 AromaticContact CG-CD2 3.68Å; F241-W245 HydrophobicContact CG-CD2 3.68Å; F241-W245 AromaticContact CG-CE2 3.93Å; F241-W245 HydrophobicContact CG-CE3 4.11Å; F241-W245 AromaticContact CG-CG 3.78Å; F241-W245 HydrophobicContact CG-CG 3.78Å; F241-W245 HydrophobicContact CZ-CH2 4.42Å; F241-W245 HydrophobicContact CZ-CZ2 4.19Å; P242-W245 WeakPolarHBondContact O-CB 3.39Å; P242-W245 PolarHBondContact O-N 3.2Å; P242-W245 VanDerWaalsContact O-N 3.1Å; W245-S247 VanDerWaalsContact C-N 3.31Å; W245-S247 PolarHBondContact O-N 3.03Å; W245-Y248 PolarHBondContact O-N 3.25Å; W245-Y248 VanDerWaalsContact O-N 3.15Å; W245-F249 HydrophobicContact CB-CD2 4.41Å; W245-F249 AromaticContact CD1-CD2 3.35Å; W245-F249 AromaticContact CD1-CE2 3.24Å; W245-F249 AromaticContact CD2-CD2 3.82Å; W245-F249 HydrophobicContact CD2-CD2 3.82Å; W245-F249 HydrophobicContact CD2-CE2 4.48Å; W245-F249 AromaticContact CE2-CD2 3.62Å; W245-F249 AromaticContact CG-CD2 3.62Å; W245-F249 HydrophobicContact CG-CD2 3.62Å; W245-F249 AromaticContact CG-CE2 3.92Å; W245-F249 HydrophobicContact CG-CE2 3.92Å; W245-F249 HydrophobicContact CZ2-CD2 4.36Å; W245-F249 AromaticContact NE1-CD2 3.32Å; W245-F249 VanDerWaalsContact NE1-CD2 3.32Å; W245-F249 AromaticContact NE1-CE2 3.39Å; W245-F249 WeakPolarHBondContact O-CD2 3.42Å; W245-F249 PolarHBondContact O-N 3.26Å; W245-Y251 HydrophobicContact CH2-CD2 4.23Å; W245-Y251 HydrophobicContact CH2-CG 4.14Å; W245-Y251 HydrophobicContact CZ3-CD1 4.11Å; W245-Y251 HydrophobicContact CZ3-CD2 4.37Å; W245-Y251 AromaticContact CZ3-CG 3.82Å; W245-Y251 HydrophobicContact CZ3-CG 3.82Å; W245-L329 HydrophobicContact CH2-CD1 4.38Å; W245-Y333 HydrophobicContact CZ2-CD1 4.31Å; W245-Y333 AromaticContact NE1-CE2 3.99Å; W245-Y333 AromaticContact NE1-CZ 3.86Å
246A85Confident82.2Confident0 Ų037.1 Ų37.10%022%0.218CC..Hα-helixtrans-59.5-43.9-176.800000111.8E184 A195 G244 G250 Y251 F253E184-A246 VanDerWaalsContact OE2-CB 3.3Å; E184-A246 WeakPolarHBondContact OE2-CB 3.22Å; E184-A246 PolarHBondContact OE2-N 2.96Å; A195-A246 HydrophobicContact CB-CB 3.73Å; G244-A246 PolarHBondContact O-N 3.12Å; A246-G250 PolarHBondContact O-N 3.48Å; A246-G250 VanDerWaalsContact O-N 3.08Å; A246-Y251 PolarHBondContact O-N 3.29Å; A246-F253 HydrophobicContact CB-CB 3.98Å; A246-F253 HydrophobicContact CB-CD2 3.67Å; A246-F253 HydrophobicContact CB-CG 4.19Å
247S80.8Confident80.6Confident99 Ų9940.5 Ų40.569%0.69224%0.235SC*.Hα-helixtrans-60.8-48.7175.9-174.60000111.8G244 W245 F249 G250G244-S247 PolarHBondContact O-N 3.2Å; W245-S247 VanDerWaalsContact C-N 3.31Å; W245-S247 PolarHBondContact O-N 3.03Å; S247-F249 PolarHBondContact O-N 2.86Å; S247-G250 PolarHBondContact O-N 3.31Å
248Y75.2Confident78.8Confident34 Ų3442.1 Ų42.113%0.13325%0.253CS..Hα-helixtrans-60.2-46.2-178.4-175.5-85.4000112.8G244 W245 G250 F271 F273 V288 R330 N331G244-Y248 VanDerWaalsContact O-CB 3.31Å; G244-Y248 WeakPolarHBondContact O-CB 3.35Å; G244-Y248 PolarHBondContact O-N 2.7Å; W245-Y248 PolarHBondContact O-N 3.25Å; W245-Y248 VanDerWaalsContact O-N 3.15Å; Y248-G250 VanDerWaalsContact C-N 3.33Å; Y248-F271 AromaticContact CD2-CD1 3.24Å; Y248-F271 HydrophobicContact CD2-CD1 3.24Å; Y248-F271 AromaticContact CD2-CE1 3.29Å; Y248-F271 HydrophobicContact CD2-CE1 3.29Å; Y248-F271 HydrophobicContact CD2-CG 4.14Å; Y248-F271 HydrophobicContact CD2-CZ 4.26Å; Y248-F271 AromaticContact CE2-CD1 3.51Å; Y248-F271 HydrophobicContact CE2-CD1 3.51Å; Y248-F271 AromaticContact CE2-CE1 3.58Å; Y248-F271 HydrophobicContact CE2-CE1 3.58Å; Y248-F271 AromaticContact CE2-CG 3.98Å; Y248-F271 HydrophobicContact CE2-CG 3.98Å; Y248-F271 HydrophobicContact CE2-CZ 4.17Å; Y248-F271 HydrophobicContact CG-CD1 4.46Å; Y248-F271 HydrophobicContact CG-CE1 4.31Å; Y248-F273 HydrophobicContact CG-CZ 4.45Å; Y248-V288 HydrophobicContact CD2-CG1 4.29Å; Y248-V288 HydrophobicContact CE1-CG1 4Å; Y248-V288 HydrophobicContact CE2-CG1 3.6Å; Y248-V288 VanDerWaalsContact CZ-CG1 3.44Å; Y248-R330 HydrophobicContact CE1-CB 4.35Å; Y248-R330 PolarHBondContact O-NH1 2.91Å; Y248-N331 VanDerWaalsContact CE1-OD1 3.22Å; Y248-N331 WeakPolarHBondContact CE1-OD1 3.48Å; Y248-N331 PolarHBondContact OH-ND2 3.2Å
249F77.1Confident77.6Confident11 Ų1138.4 Ų38.45%0.04823%0.229CC..Hα-helixtrans-87.2-0.9-174.7-67.6-74.6000113.4W245 S247 Y251 V288 R330 N331 Y333W245-F249 HydrophobicContact CB-CD2 4.41Å; W245-F249 AromaticContact CD1-CD2 3.35Å; W245-F249 AromaticContact CD1-CE2 3.24Å; W245-F249 AromaticContact CD2-CD2 3.82Å; W245-F249 HydrophobicContact CD2-CD2 3.82Å; W245-F249 HydrophobicContact CD2-CE2 4.48Å; W245-F249 AromaticContact CE2-CD2 3.62Å; W245-F249 AromaticContact CG-CD2 3.62Å; W245-F249 HydrophobicContact CG-CD2 3.62Å; W245-F249 AromaticContact CG-CE2 3.92Å; W245-F249 HydrophobicContact CG-CE2 3.92Å; W245-F249 HydrophobicContact CZ2-CD2 4.36Å; W245-F249 AromaticContact NE1-CD2 3.32Å; W245-F249 VanDerWaalsContact NE1-CD2 3.32Å; W245-F249 AromaticContact NE1-CE2 3.39Å; W245-F249 WeakPolarHBondContact O-CD2 3.42Å; W245-F249 PolarHBondContact O-N 3.26Å; S247-F249 PolarHBondContact O-N 2.86Å; F249-Y251 VanDerWaalsContact C-N 3.29Å; F249-V288 HydrophobicContact CZ-CG2 4.1Å; F249-R330 HydrophobicContact CD1-CB 3.64Å; F249-R330 WeakPolarHBondContact CD1-O 3.39Å; F249-R330 VanDerWaalsContact CE1-C 3.47Å; F249-R330 HydrophobicContact CE1-CB 3.95Å; F249-R330 WeakPolarHBondContact CE1-O 3.34Å; F249-N331 HydrophobicContact CE1-CB 3.73Å; F249-N331 VanDerWaalsContact CE1-OD1 3.3Å; F249-N331 WeakPolarHBondContact CE1-OD1 3.19Å; F249-N331 HydrophobicContact CZ-CB 4.17Å; F249-N331 VanDerWaalsContact CZ-OD1 3.25Å; F249-N331 WeakPolarHBondContact CZ-OD1 3.42Å; F249-Y333 HydrophobicContact CD1-CD2 4.25Å; F249-Y333 AromaticContact CE1-CD2 3.79Å; F249-Y333 HydrophobicContact CE1-CD2 3.79Å; F249-Y333 HydrophobicContact CE1-CE2 4.23Å; F249-Y333 HydrophobicContact CE2-CE2 4.39Å; F249-Y333 AromaticContact CZ-CD2 3.96Å; F249-Y333 HydrophobicContact CZ-CD2 3.96Å; F249-Y333 AromaticContact CZ-CE2 3.92Å; F249-Y333 HydrophobicContact CZ-CE2 3.92Å
250G73.6Confident75.9Confident53 Ų5340.5 Ų40.555%0.54625%0.245SC..THydrogen-bonded Turntrans66.733-177.700000112.6A246 S247 Y248A246-G250 PolarHBondContact O-N 3.48Å; A246-G250 VanDerWaalsContact O-N 3.08Å; S247-G250 PolarHBondContact O-N 3.31Å; Y248-G250 VanDerWaalsContact C-N 3.33Å
251Y82.1Confident73.9Confident16 Ų1647.3 Ų47.36%0.06328%0.277CS..  trans-88.5135.5173-149.7-97.8000109.5I186 P192 A195 W245 A246 F249 F253 L329 I335I186-Y251 HydrophobicContact CD1-CE1 4.2Å; I186-Y251 HydrophobicContact CG1-CE1 3.92Å; I186-Y251 HydrophobicContact CG2-CE1 4.42Å; P192-Y251 PolarHBondContact O-OH 3Å; A195-Y251 HydrophobicContact CB-CD1 4.17Å; W245-Y251 HydrophobicContact CH2-CD2 4.23Å; W245-Y251 HydrophobicContact CH2-CG 4.14Å; W245-Y251 HydrophobicContact CZ3-CD1 4.11Å; W245-Y251 HydrophobicContact CZ3-CD2 4.37Å; W245-Y251 AromaticContact CZ3-CG 3.82Å; W245-Y251 HydrophobicContact CZ3-CG 3.82Å; A246-Y251 PolarHBondContact O-N 3.29Å; F249-Y251 VanDerWaalsContact C-N 3.29Å; Y251-F253 PolarHBondContact O-N 2.9Å; Y251-L329 HydrophobicContact CD2-CD1 4.12Å; Y251-I335 HydrophobicContact CE2-CD1 3.84Å; Y251-I335 HydrophobicContact CE2-CG1 4.33Å
252P86.4Confident72.3Confident70 Ų7048.2 Ų48.246%0.45528%0.284SS..  trans-56.6140176.1-23.734.3000110.8N193 A194 A195N193-P252 VanDerWaalsContact O-CB 3.3Å; N193-P252 WeakPolarHBondContact O-CB 3.13Å; N193-P252 WeakPolarHBondContact O-CD 3.46Å; N193-P252 WeakPolarHBondContact O-CG 3.48Å; A194-P252 CarbonylContact C-O 3.52Å; A194-P252 VanDerWaalsContact CA-O 3.27Å; A194-P252 WeakPolarHBondContact CA-O 3.48Å; A194-P252 HydrophobicContact CB-CB 4.34Å; A195-P252 PolarHBondContact N-O 2.8Å
253F84.8Confident70.6Confident67 Ų6756.4 Ų56.429%0.29432%0.322SS..BIsolated β-bridgetrans-126.3129.1-176.8-173.4-106.4000109.9E184 A195 P197 A246 Y251 C255 Y259E184-F253 HydrophobicContact CG-CE2 3.85Å; A195-F253 HydrophobicContact CB-CD2 3.91Å; P197-F253 HydrophobicContact CB-CZ 4.03Å; P197-F253 HydrophobicContact CG-CZ 4.17Å; A246-F253 HydrophobicContact CB-CB 3.98Å; A246-F253 HydrophobicContact CB-CD2 3.67Å; A246-F253 HydrophobicContact CB-CG 4.19Å; Y251-F253 PolarHBondContact O-N 2.9Å; F253-C255 HydrophobicContact CD1-CB 4.21Å; F253-C255 HydrophobicContact CE1-CB 3.57Å; F253-C255 HydrophobicContact CZ-CB 4.26Å; F253-Y259 AromaticContact CE1-CD1 3.55Å; F253-Y259 HydrophobicContact CE1-CD1 3.55Å; F253-Y259 AromaticContact CE1-CE1 3.51Å; F253-Y259 HydrophobicContact CE1-CE1 3.51Å; F253-Y259 AromaticContact CZ-CD1 3.83Å; F253-Y259 HydrophobicContact CZ-CD1 3.83Å; F253-Y259 AromaticContact CZ-CE1 3.38Å; F253-Y259 HydrophobicContact CZ-CE1 3.38Å
254R83.5Confident69Low97 Ų9759.2 Ų59.237%0.36634%0.337SS..  trans-108.9125.5175.7-175.7-173100.1-169.94108.6D187 S190 A194 A195 V196 P197 E212D187-R254 IonicContact OD2-CZ 3.55Å; D187-R254 IonicContact OD2-NH1 2.76Å; D187-R254 PolarHBondContact OD2-NH1 2.89Å; D187-R254 IonicContact OD2-NH2 2.62Å; S190-R254 PolarHBondContact OG-NH1 3.36Å; A194-R254 HydrophobicContact CB-CB 4.42Å; A195-R254 PolarHBondContact O-N 3.05Å; V196-R254 HydrophobicContact CG1-CB 4.18Å; P197-R254 WeakPolarHBondContact CD-O 3.28Å; E212-R254 IonicContact OE1-CZ 3.5Å; E212-R254 IonicContact OE1-NH2 3.53Å; E212-R254 PolarHBondContact OE1-NH2 2.76Å; E212-R254 IonicContact OE2-NH2 3.89Å
255C71.1Confident67.6Low39 Ų3961.7 Ų61.726%0.26435%0.346SS..  trans-142.8161.8169.763.40000111.5P197 F253 Y259 S260P197-C255 HydrophobicContact CG-CB 4.15Å; F253-C255 HydrophobicContact CD1-CB 4.21Å; F253-C255 HydrophobicContact CE1-CB 3.57Å; F253-C255 HydrophobicContact CZ-CB 4.26Å; C255-Y259 HydrophobicContact CB-CD1 3.93Å; C255-Y259 HydrophobicContact CB-CG 3.96Å; C255-S260 PolarHBondContact SG-OG 2.98Å
256S63.1Low65.5Low46 Ų4667 Ų6732%0.32238%0.375SS..  trans-68153.8167.5590000109.9G258 Y259S256-G258 PolarHBondContact O-N 2.86Å; S256-Y259 PolarHBondContact O-N 3.07Å
257E55.6Low63.6Low176 Ų17670.1 Ų70.182%0.82240%0.396SS*.THydrogen-bonded Turntrans-52.1-22.5-176-71.4-174.6159.700114.3
258G53.7Low61.6Low43 Ų4373.8 Ų73.844%0.44341%0.408SS..THydrogen-bonded Turntrans-78.8-23178.300000115.9S256S256-G258 PolarHBondContact O-N 2.86Å
259Y60.1Low60.1Low1 Ų175.3 Ų75.30%0.00442%0.424CS..G310 helixtrans-73.9-41-177.1-167.9-97000112P197 W213 F253 C255 S256 Q261 S262 L265P197-Y259 HydrophobicContact CB-CD2 3.79Å; P197-Y259 HydrophobicContact CB-CE1 4.2Å; P197-Y259 HydrophobicContact CB-CE2 3.37Å; P197-Y259 HydrophobicContact CB-CG 4.35Å; P197-Y259 HydrophobicContact CG-CD2 4.08Å; P197-Y259 HydrophobicContact CG-CE2 4.16Å; P197-Y259 HydrophobicContact CG-CG 4.32Å; W213-Y259 AromaticContact CD2-CD2 3.9Å; W213-Y259 HydrophobicContact CD2-CD2 3.9Å; W213-Y259 HydrophobicContact CD2-CE2 4.41Å; W213-Y259 AromaticContact CE3-CD2 3.48Å; W213-Y259 HydrophobicContact CE3-CD2 3.48Å; W213-Y259 VanDerWaalsContact CE3-CD2 3.48Å; W213-Y259 HydrophobicContact CE3-CE2 4.36Å; W213-Y259 HydrophobicContact CE3-CG 4.24Å; W213-Y259 AromaticContact CH2-CD2 3.91Å; W213-Y259 HydrophobicContact CH2-CD2 3.91Å; W213-Y259 HydrophobicContact CH2-CG 4.49Å; W213-Y259 HydrophobicContact CZ2-CD2 4.29Å; W213-Y259 VanDerWaalsContact CZ3-CB 3.5Å; W213-Y259 AromaticContact CZ3-CD2 3.53Å; W213-Y259 HydrophobicContact CZ3-CD2 3.53Å; W213-Y259 AromaticContact CZ3-CG 4Å; W213-Y259 HydrophobicContact CZ3-CG 4Å; F253-Y259 AromaticContact CE1-CD1 3.55Å; F253-Y259 HydrophobicContact CE1-CD1 3.55Å; F253-Y259 AromaticContact CE1-CE1 3.51Å; F253-Y259 HydrophobicContact CE1-CE1 3.51Å; F253-Y259 AromaticContact CZ-CD1 3.83Å; F253-Y259 HydrophobicContact CZ-CD1 3.83Å; F253-Y259 AromaticContact CZ-CE1 3.38Å; F253-Y259 HydrophobicContact CZ-CE1 3.38Å; C255-Y259 HydrophobicContact CB-CD1 3.93Å; C255-Y259 HydrophobicContact CB-CG 3.96Å; S256-Y259 PolarHBondContact O-N 3.07Å; Y259-Q261 PolarHBondContact O-N 3.07Å; Y259-Q261 VanDerWaalsContact O-N 3.09Å; Y259-S262 PolarHBondContact O-N 3.38Å; Y259-S262 VanDerWaalsContact O-N 3.1Å; Y259-S262 PolarHBondContact O-OG 3.07Å; Y259-L265 HydrophobicContact CD1-CD1 3.78Å; Y259-L265 HydrophobicContact CE1-CD1 3.72Å
260S54.2Low58.4Low62 Ų6283.2 Ų83.243%0.43446%0.461SS..G310 helixtrans-63.3-15.3179.9-30.70000113.6C255C255-S260 PolarHBondContact SG-OG 2.98Å
261Q48.7Very low57.1Low153 Ų15387.2 Ų87.272%0.71546%0.463SS*.G310 helixtrans-96.5-3179.8-62.5-173.915.100113.3Y259 E263Y259-Q261 PolarHBondContact O-N 3.07Å; Y259-Q261 VanDerWaalsContact O-N 3.09Å; Q261-E263 PolarHBondContact O-N 2.94Å
262S52.1Low55.5Low24 Ų2490.2 Ų90.217%0.16848%0.483CS..SBendtrans-66.4130.8173.767.80000110.2Y259 D264 L265Y259-S262 PolarHBondContact O-N 3.38Å; Y259-S262 VanDerWaalsContact O-N 3.1Å; Y259-S262 PolarHBondContact O-OG 3.07Å; S262-D264 PolarHBondContact O-N 2.59Å; S262-L265 PolarHBondContact O-N 2.87Å; S262-L265 VanDerWaalsContact O-N 3.14Å
263E48.1Very low53.9Low175 Ų17588 Ų8882%0.81847%0.466SS*.G310 helixtrans-54.9-24.4-176.9-69.6-175156.500112.6Q261 L265 N266Q261-E263 PolarHBondContact O-N 2.94Å; E263-L265 PolarHBondContact O-N 3.18Å; E263-N266 PolarHBondContact O-N 2.86Å; E263-N266 VanDerWaalsContact O-N 3.13Å
264D49.2Very low52.2Low60 Ų6086 Ų8632%0.32146%0.46SS..G310 helixtrans-62.1-21.9179.2-61.5-48.1000115.2R182 S262 T274R182-D264 IonicContact CZ-OD2 3.37Å; R182-D264 VanDerWaalsContact CZ-OD2 3.29Å; R182-D264 IonicContact NH1-OD2 2.87Å; R182-D264 PolarHBondContact NH1-OD2 2.86Å; R182-D264 IonicContact NH2-OD2 3.57Å; R182-D264 PolarHBondContact NH2-OD2 3.15Å; S262-D264 PolarHBondContact O-N 2.59Å; D264-T274 HydrophobicContact CB-CG2 3.74Å; D264-T274 WeakPolarHBondContact O-CG2 3.4Å
265L49.9Very low50.8Low66 Ų6682 Ų8235%0.34645%0.446SS..G310 helixtrans-98.7-11.9177.4-66.2173.2000113V243 Y259 S262 E263V243-L265 HydrophobicContact CG1-CD2 4.22Å; Y259-L265 HydrophobicContact CD1-CD1 3.78Å; Y259-L265 HydrophobicContact CE1-CD1 3.72Å; S262-L265 PolarHBondContact O-N 2.87Å; S262-L265 VanDerWaalsContact O-N 3.14Å; E263-L265 PolarHBondContact O-N 3.18Å
266N41.5Very low49.9Very low116 Ų11684.5 Ų84.562%0.6246%0.457SS*.  trans-108.99-170.2-92-23.8000114E263 D268E263-N266 PolarHBondContact O-N 2.86Å; E263-N266 VanDerWaalsContact O-N 3.13Å; N266-D268 PolarHBondContact O-N 3.44Å
267S44.1Very low49.7Very low64 Ų6484.4 Ų84.445%0.44845%0.453SS..  trans-75.8112.2172.280.10000109.9S269S267-S269 PolarHBondContact O-N 2.75Å; S267-S269 PolarHBondContact OG-OG 2.91Å; S267-S269 VanDerWaalsContact OG-OG 3.11Å
268D40.2Very low49.9Very low177 Ų17781.6 Ų81.695%0.94744%0.44SS*.  trans-59.811169.8-83-33.6000114.3N266N266-D268 PolarHBondContact O-N 3.44Å
269S43.8Very low50.4Low65 Ų6585.6 Ų85.646%0.45545%0.451SS..SBendtrans-83.4123.3169.9600000109.6S267 F271S267-S269 PolarHBondContact O-N 2.75Å; S267-S269 PolarHBondContact OG-OG 2.91Å; S267-S269 VanDerWaalsContact OG-OG 3.11Å; S269-F271 PolarHBondContact O-N 2.8Å
270E41.3Very low50.7Low178 Ų17886.7 Ų86.783%0.83246%0.457SS*.SBendtrans-32.1105.5170.3-88178.6135.700112.6
271F45Very low51.4Low136 Ų13683.9 Ų83.960%0.59644%0.437SS*.  trans47.981158.1-63.2-72000116.6Y248 S269Y248-F271 AromaticContact CD2-CD1 3.24Å; Y248-F271 HydrophobicContact CD2-CD1 3.24Å; Y248-F271 AromaticContact CD2-CE1 3.29Å; Y248-F271 HydrophobicContact CD2-CE1 3.29Å; Y248-F271 HydrophobicContact CD2-CG 4.14Å; Y248-F271 HydrophobicContact CD2-CZ 4.26Å; Y248-F271 AromaticContact CE2-CD1 3.51Å; Y248-F271 HydrophobicContact CE2-CD1 3.51Å; Y248-F271 AromaticContact CE2-CE1 3.58Å; Y248-F271 HydrophobicContact CE2-CE1 3.58Å; Y248-F271 AromaticContact CE2-CG 3.98Å; Y248-F271 HydrophobicContact CE2-CG 3.98Å; Y248-F271 HydrophobicContact CE2-CZ 4.17Å; Y248-F271 HydrophobicContact CG-CD1 4.46Å; Y248-F271 HydrophobicContact CG-CE1 4.31Å; S269-F271 PolarHBondContact O-N 2.8Å
272V49.6Very low52.2Low80 Ų8079.4 Ų79.449%0.48542%0.423SS..  trans-113.7107.9164.6-175.10000107.3T274V272-T274 PolarHBondContact O-N 2.92Å
273F52.5Low52.8Low22 Ų2280.8 Ų80.810%0.09643%0.432CS..  trans-56.1114.2160.4-66.8-82000106.2P242 V243 Y248 V275 I285 V288P242-F273 HydrophobicContact CB-CD1 3.9Å; P242-F273 HydrophobicContact CB-CG 4.45Å; P242-F273 HydrophobicContact CG-CD1 3.69Å; P242-F273 HydrophobicContact CG-CE1 3.88Å; P242-F273 HydrophobicContact CG-CG 4.44Å; V243-F273 WeakPolarHBondContact O-CD1 3.19Å; Y248-F273 HydrophobicContact CG-CZ 4.45Å; F273-V275 HydrophobicContact CB-CG2 3.8Å; F273-V275 PolarHBondContact O-N 3.19Å; F273-I285 HydrophobicContact CB-CG1 4.45Å; F273-I285 HydrophobicContact CD2-CG1 3.88Å; F273-I285 HydrophobicContact CG-CG1 4.35Å; F273-V288 HydrophobicContact CE2-CB 3.78Å; F273-V288 HydrophobicContact CE2-CG1 3.7Å; F273-V288 HydrophobicContact CE2-CG2 3.57Å; F273-V288 HydrophobicContact CZ-CB 4.17Å; F273-V288 HydrophobicContact CZ-CG1 4.05Å; F273-V288 HydrophobicContact CZ-CG2 3.48Å; F273-V288 VanDerWaalsContact CZ-CG2 3.48Å
274T49.4Very low53.6Low25 Ų2574.7 Ų74.715%0.15340%0.404CS..  trans-79.876.5172.644.40000107.3D264 V272D264-T274 HydrophobicContact CB-CG2 3.74Å; D264-T274 WeakPolarHBondContact O-CG2 3.4Å; V272-T274 PolarHBondContact O-N 2.92Å
275V53.3Low54.2Low14 Ų1472.7 Ų72.79%0.08539%0.393CS..  trans-90.1119.6167.4-154.60000106.1P242 F273 D277 F281 I285P242-V275 HydrophobicContact CB-CG2 3.96Å; F273-V275 HydrophobicContact CB-CG2 3.8Å; F273-V275 PolarHBondContact O-N 3.19Å; V275-D277 VanDerWaalsContact CG1-O 3.31Å; V275-D277 WeakPolarHBondContact CG1-O 3.43Å; V275-D277 PolarHBondContact O-N 2.85Å; V275-F281 HydrophobicContact CB-CD2 4.47Å; V275-F281 HydrophobicContact CG1-CD2 3.49Å; V275-F281 VanDerWaalsContact CG1-CD2 3.49Å; V275-F281 HydrophobicContact CG1-CE2 3.81Å; V275-F281 HydrophobicContact CG2-CD2 4.2Å; V275-I285 HydrophobicContact CG2-CD1 4.1Å
276D52Low55Low92 Ų9274 Ų7449%0.49240%0.397SS..SBendtrans-55-10.3171.9-62.9-45.5000112.1I181 R182I181-D276 HydrophobicContact CG1-CB 4.18Å; R182-D276 IonicContact NH2-OD1 2.75Å
277D60.2Low56Low43 Ų4371.5 Ų71.523%0.2338%0.383CS..  trans-147.599.3170.2-174.2-11.2000111.8I181 V275 N279 L280I181-D277 HydrophobicContact CD1-CB 4.33Å; V275-D277 VanDerWaalsContact CG1-O 3.31Å; V275-D277 WeakPolarHBondContact CG1-O 3.43Å; V275-D277 PolarHBondContact O-N 2.85Å; D277-N279 PolarHBondContact O-N 3.25Å; D277-N279 VanDerWaalsContact O-N 3.09Å; D277-N279 WeakPolarHBondContact OD1-CB 3.39Å; D277-N279 PolarHBondContact OD1-N 2.98Å; D277-N279 VanDerWaalsContact OD1-N 3.1Å; D277-N279 PolarHBondContact OD1-ND2 2.65Å; D277-L280 HydrophobicContact CB-CD1 3.91Å; D277-L280 HydrophobicContact CB-CG 4.43Å; D277-L280 PolarHBondContact O-N 3.04Å
278E58.9Low56.7Low118 Ų11869.3 Ų69.355%0.55137%0.367SS*.THydrogen-bonded Turntrans-57.6-23.7179.7-69.5-164.4159.100114L280 S282E278-L280 VanDerWaalsContact C-N 3.28Å; E278-L280 PolarHBondContact O-N 3.04Å; E278-S282 PolarHBondContact O-N 3Å
279N64.2Low57.7Low127 Ų12769.6 Ų69.668%0.67936%0.355SS*.THydrogen-bonded Turntrans-70.5-29.7-177.6-59.8-63.6000111.9D277 F281 S282D277-N279 PolarHBondContact O-N 3.25Å; D277-N279 VanDerWaalsContact O-N 3.09Å; D277-N279 WeakPolarHBondContact OD1-CB 3.39Å; D277-N279 PolarHBondContact OD1-N 2.98Å; D277-N279 VanDerWaalsContact OD1-N 3.1Å; D277-N279 PolarHBondContact OD1-ND2 2.65Å; N279-F281 VanDerWaalsContact C-N 3.34Å; N279-F281 PolarHBondContact O-N 2.87Å; N279-S282 PolarHBondContact O-OG 3.1Å
280L66.7Low58.3Low24 Ų2474.2 Ų74.213%0.12636%0.363CS..THydrogen-bonded Turntrans-65.2-35.7-174.5-89.8165.7000112.9V177 I181 I235 D277 E278V177-L280 HydrophobicContact CG1-CD1 4.03Å; V177-L280 HydrophobicContact CG2-CD2 4.36Å; I181-L280 HydrophobicContact CD1-CD1 3.66Å; I235-L280 HydrophobicContact CB-CD2 4.42Å; I235-L280 HydrophobicContact CG1-CD2 3.77Å; I235-L280 HydrophobicContact CG2-CD2 3.74Å; D277-L280 HydrophobicContact CB-CD1 3.91Å; D277-L280 HydrophobicContact CB-CG 4.43Å; D277-L280 PolarHBondContact O-N 3.04Å; E278-L280 VanDerWaalsContact C-N 3.28Å; E278-L280 PolarHBondContact O-N 3.04Å
281F69Low58.9Low3 Ų367.1 Ų67.11%0.01333%0.333CS..THydrogen-bonded Turntrans-121.827-179.1-56.2-72.8000112.5L183 I235 P242 V275 N279 S283 E284 I285L183-F281 HydrophobicContact CD2-CE2 3.43Å; L183-F281 VanDerWaalsContact CD2-CE2 3.43Å; L183-F281 HydrophobicContact CD2-CZ 3.36Å; I235-F281 HydrophobicContact CD1-CZ 4.25Å; I235-F281 HydrophobicContact CG1-CZ 4.38Å; P242-F281 HydrophobicContact CB-CB 4.39Å; P242-F281 HydrophobicContact CB-CD2 4.05Å; P242-F281 HydrophobicContact CB-CG 4.15Å; V275-F281 HydrophobicContact CB-CD2 4.47Å; V275-F281 HydrophobicContact CG1-CD2 3.49Å; V275-F281 VanDerWaalsContact CG1-CD2 3.49Å; V275-F281 HydrophobicContact CG1-CE2 3.81Å; V275-F281 HydrophobicContact CG2-CD2 4.2Å; N279-F281 VanDerWaalsContact C-N 3.34Å; N279-F281 PolarHBondContact O-N 2.87Å; F281-S283 PolarHBondContact O-N 3.09Å; F281-E284 VanDerWaalsContact C-OE2 3.28Å; F281-E284 VanDerWaalsContact CA-OE2 3.25Å; F281-E284 WeakPolarHBondContact CA-OE2 3.36Å; F281-E284 HydrophobicContact CB-CB 4.24Å; F281-E284 PolarHBondContact O-N 3.09Å; F281-I285 HydrophobicContact CB-CD1 4.45Å; F281-I285 WeakPolarHBondContact O-CB 3.38Å; F281-I285 VanDerWaalsContact O-CG1 3.24Å; F281-I285 WeakPolarHBondContact O-CG1 3.48Å; F281-I285 PolarHBondContact O-N 3.28Å
282S66.4Low59.2Low59 Ų5969.3 Ų69.341%0.41335%0.345SS..Hα-helixtrans-55.8-38.6-176.944.10000112.5E278 N279 E286E278-S282 PolarHBondContact O-N 3Å; N279-S282 PolarHBondContact O-OG 3.1Å; S282-E286 VanDerWaalsContact O-CB 3.3Å; S282-E286 WeakPolarHBondContact O-CB 3.33Å; S282-E286 PolarHBondContact O-N 3.26Å
283S63.2Low59.2Low53 Ų5375.7 Ų75.737%0.37136%0.36SS..Hα-helixtrans-62.7-46.1173.829.80000112.9F281 E286 L287F281-S283 PolarHBondContact O-N 3.09Å; S283-E286 PolarHBondContact O-N 3.43Å; S283-L287 WeakPolarHBondContact O-CB 3.42Å; S283-L287 VanDerWaalsContact O-CG 3.23Å; S283-L287 WeakPolarHBondContact O-CG 3.08Å; S283-L287 PolarHBondContact O-N 3.46Å
284E64.7Low58.8Low47 Ų4782.2 Ų82.222%0.2240%0.396CS..Hα-helixtrans-68.7-41.3-178.4-66.175.4-177.200110.4F281 L287 V288F281-E284 VanDerWaalsContact C-OE2 3.28Å; F281-E284 VanDerWaalsContact CA-OE2 3.25Å; F281-E284 WeakPolarHBondContact CA-OE2 3.36Å; F281-E284 HydrophobicContact CB-CB 4.24Å; F281-E284 PolarHBondContact O-N 3.09Å; E284-L287 WeakPolarHBondContact O-CB 3.25Å; E284-L287 PolarHBondContact O-N 3.35Å; E284-V288 WeakPolarHBondContact O-CG2 3.38Å; E284-V288 PolarHBondContact O-N 3.07Å
285I63.7Low58.9Low17 Ų1784.7 Ų84.79%0.08741%0.413CS..Hα-helixtrans-62.6-43.3173.3-66.1165.9000110.2F273 V275 F281 L287 V288 R289F273-I285 HydrophobicContact CB-CG1 4.45Å; F273-I285 HydrophobicContact CD2-CG1 3.88Å; F273-I285 HydrophobicContact CG-CG1 4.35Å; V275-I285 HydrophobicContact CG2-CD1 4.1Å; F281-I285 HydrophobicContact CB-CD1 4.45Å; F281-I285 WeakPolarHBondContact O-CB 3.38Å; F281-I285 VanDerWaalsContact O-CG1 3.24Å; F281-I285 WeakPolarHBondContact O-CG1 3.48Å; F281-I285 PolarHBondContact O-N 3.28Å; I285-L287 VanDerWaalsContact C-N 3.35Å; I285-V288 WeakPolarHBondContact O-CB 3.24Å; I285-V288 PolarHBondContact O-N 2.71Å; I285-R289 WeakPolarHBondContact O-CG 3.32Å; I285-R289 PolarHBondContact O-N 2.69Å
286E66Low58.8Low94 Ų9492 Ų9244%0.43945%0.447SS..Hα-helixtrans-69.5-33.8179-162.3173.5172.300112.3S282 S283 V288 R289 R290S282-E286 VanDerWaalsContact O-CB 3.3Å; S282-E286 WeakPolarHBondContact O-CB 3.33Å; S282-E286 PolarHBondContact O-N 3.26Å; S283-E286 PolarHBondContact O-N 3.43Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-R289 PolarHBondContact O-N 3.17Å; E286-R290 WeakPolarHBondContact O-CG 3.4Å; E286-R290 PolarHBondContact O-N 2.64Å; E286-R290 IonicContact OE1-CZ 2.68Å; E286-R290 IonicContact OE1-NE 3.76Å; E286-R290 IonicContact OE1-NH2 3.58Å; E286-R290 PolarHBondContact OE1-NH2 3.44Å
287L61.9Low58.6Low63 Ų6396.2 Ų96.233%0.3347%0.469SS..Hα-helixtrans-61.1-43.2170.6-75168.7000111.1S283 E284 I285 R289 R290 S291S283-L287 WeakPolarHBondContact O-CB 3.42Å; S283-L287 VanDerWaalsContact O-CG 3.23Å; S283-L287 WeakPolarHBondContact O-CG 3.08Å; S283-L287 PolarHBondContact O-N 3.46Å; E284-L287 WeakPolarHBondContact O-CB 3.25Å; E284-L287 PolarHBondContact O-N 3.35Å; I285-L287 VanDerWaalsContact C-N 3.35Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.22Å; L287-R290 CarbonylContact O-C 3.58Å; L287-R290 PolarHBondContact O-N 3.05Å; L287-R290 VanDerWaalsContact O-N 3.16Å; L287-S291 PolarHBondContact O-N 2.84Å
288V59.3Low58.2Low19 Ų1997.1 Ų97.112%0.11549%0.489CS..Hα-helixtrans-61.5-41.1175.3173.70000111.3Y248 F249 F273 E284 I285 E286 R290 S291 N331Y248-V288 HydrophobicContact CD2-CG1 4.29Å; Y248-V288 HydrophobicContact CE1-CG1 4Å; Y248-V288 HydrophobicContact CE2-CG1 3.6Å; Y248-V288 VanDerWaalsContact CZ-CG1 3.44Å; F249-V288 HydrophobicContact CZ-CG2 4.1Å; F273-V288 HydrophobicContact CE2-CB 3.78Å; F273-V288 HydrophobicContact CE2-CG1 3.7Å; F273-V288 HydrophobicContact CE2-CG2 3.57Å; F273-V288 HydrophobicContact CZ-CB 4.17Å; F273-V288 HydrophobicContact CZ-CG1 4.05Å; F273-V288 HydrophobicContact CZ-CG2 3.48Å; F273-V288 VanDerWaalsContact CZ-CG2 3.48Å; E284-V288 WeakPolarHBondContact O-CG2 3.38Å; E284-V288 PolarHBondContact O-N 3.07Å; I285-V288 WeakPolarHBondContact O-CB 3.24Å; I285-V288 PolarHBondContact O-N 2.71Å; E286-V288 VanDerWaalsContact C-N 3.33Å; V288-R290 VanDerWaalsContact C-N 3.34Å; V288-R290 PolarHBondContact O-N 2.74Å; V288-S291 PolarHBondContact O-N 3.47Å; V288-N331 WeakPolarHBondContact CA-OD1 3.5Å; V288-N331 VanDerWaalsContact CG2-OD1 3.28Å; V288-N331 WeakPolarHBondContact CG2-OD1 3.47Å
289R62Low58.2Low183 Ų18393.2 Ų93.269%0.69147%0.474SS*.Hα-helixtrans-64.6-34.8175.3-70.7177.9179.2167.13.4112.9I285 E286 L287 S291I285-R289 WeakPolarHBondContact O-CG 3.32Å; I285-R289 PolarHBondContact O-N 2.69Å; E286-R289 PolarHBondContact O-N 3.17Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.22Å; R289-S291 VanDerWaalsContact C-N 3.33Å
290R56.2Low58.1Low162 Ų16293.2 Ų93.261%0.61147%0.474SS*.Hα-helixtrans-81.2-13.8177.1-68.4177.3-174.4-1734.8113.2E286 L287 V288 Q292E286-R290 WeakPolarHBondContact O-CG 3.4Å; E286-R290 PolarHBondContact O-N 2.64Å; E286-R290 IonicContact OE1-CZ 2.68Å; E286-R290 IonicContact OE1-NE 3.76Å; E286-R290 IonicContact OE1-NH2 3.58Å; E286-R290 PolarHBondContact OE1-NH2 3.44Å; L287-R290 CarbonylContact O-C 3.58Å; L287-R290 PolarHBondContact O-N 3.05Å; L287-R290 VanDerWaalsContact O-N 3.16Å; V288-R290 VanDerWaalsContact C-N 3.34Å; V288-R290 PolarHBondContact O-N 2.74Å; R290-Q292 PolarHBondContact O-N 2.77Å
291S52.5Low58.4Low29 Ų2996.4 Ų96.420%0.20350%0.498CS..  trans-46.1-15.5178.51720000118.5L287 V288 R289 R293 N331L287-S291 PolarHBondContact O-N 2.84Å; V288-S291 PolarHBondContact O-N 3.47Å; R289-S291 VanDerWaalsContact C-N 3.33Å; S291-R293 PolarHBondContact O-N 2.83Å; S291-N331 VanDerWaalsContact CB-ND2 3.33Å; S291-N331 WeakPolarHBondContact CB-ND2 3.39Å; S291-N331 WeakPolarHBondContact OG-CA 3.44Å; S291-N331 VanDerWaalsContact OG-CB 3.29Å; S291-N331 WeakPolarHBondContact OG-CB 3.4Å; S291-N331 VanDerWaalsContact OG-CG 3.28Å; S291-N331 PolarHBondContact OG-ND2 3.17Å
292Q50.9Low59Low181 Ų18196.8 Ų96.885%0.84650%0.5SS*.  trans-74.221.8-175.4-66.6-170.6-12.400114.5R290 D294R290-Q292 PolarHBondContact O-N 2.77Å; Q292-D294 PolarHBondContact O-N 2.9Å; Q292-D294 VanDerWaalsContact O-N 3.14Å
293R49.8Very low60.1Low215 Ų21594.2 Ų94.281%0.81148%0.482SS*.  trans-79.494167-64-168.2-149.3173.58.5108.3S291 C295S291-R293 PolarHBondContact O-N 2.83Å; R293-C295 PolarHBondContact O-N 2.78Å
294D45.8Very low61.4Low158 Ų15895.4 Ų95.485%0.84548%0.484SS*.  trans-58.8105157.8-68.8-37.9000107.1Q292 E296Q292-D294 PolarHBondContact O-N 2.9Å; Q292-D294 VanDerWaalsContact O-N 3.14Å; D294-E296 PolarHBondContact O-N 3.37Å
295C51.5Low62.6Low77 Ų7796.4 Ų96.452%0.5249%0.491SS..  trans-72.8111.4167.357.90000107R293 C299R293-C295 PolarHBondContact O-N 2.78Å; C295-C299 HydrophobicContact CB-CB 3.96Å
296E49.6Very low64.1Low169 Ų169102.2 Ų102.279%0.7952%0.517SS*.  trans-56.8146.6173.9-67.5-177165.200110.6D294 G298 C299D294-E296 PolarHBondContact O-N 3.37Å; E296-G298 PolarHBondContact O-N 2.84Å; E296-C299 VanDerWaalsContact O-CB 3.31Å; E296-C299 WeakPolarHBondContact O-CB 3.28Å; E296-C299 PolarHBondContact O-N 2.87Å
297D49.3Very low65.5Low179 Ų17998.9 Ų98.996%0.95750%0.502SS*.THydrogen-bonded Turntrans-50.6123.1175.1-82.2-32.5000110.6
298G51Low67.3Low63 Ų6396.7 Ų96.765%0.64949%0.49SS*.THydrogen-bonded Turntrans96.78.3-176.500000115.5E296 L300E296-G298 PolarHBondContact O-N 2.84Å; G298-L300 PolarHBondContact O-N 3.1Å; G298-L300 VanDerWaalsContact O-N 3.09Å
299C59Low69.1Low36 Ų3695.8 Ų95.824%0.24348%0.484CS..  trans-60.8110.2175.3-168.50000112.1C295 E296 S301 C302C295-C299 HydrophobicContact CB-CB 3.96Å; E296-C299 VanDerWaalsContact O-CB 3.31Å; E296-C299 WeakPolarHBondContact O-CB 3.28Å; E296-C299 PolarHBondContact O-N 2.87Å; C299-S301 PolarHBondContact O-N 3.42Å; C299-S301 PolarHBondContact SG-OG 2.81Å; C299-C302 PolarHBondContact O-SG 3.25Å; C299-C302 VanDerWaalsContact O-SG 3.41Å
300L62.5Low70.9Confident127 Ų12787 Ų8767%0.66545%0.451SS*.THydrogen-bonded Turntrans-72.4-1177.1-68.5173.4000113.7G298G298-L300 PolarHBondContact O-N 3.1Å; G298-L300 VanDerWaalsContact O-N 3.09Å
301S73Confident72.9Confident90 Ų9079.3 Ų79.363%0.62942%0.422SS*.THydrogen-bonded Turntrans-101.510.2-179.374.60000113.9C299C299-S301 PolarHBondContact O-N 3.42Å; C299-S301 PolarHBondContact SG-OG 2.81Å
302C81.2Confident75Confident11 Ų1178 Ų787%0.07441%0.412CS..SBendtrans-134158.6174.7620000111.9C299 I395C299-C302 PolarHBondContact O-SG 3.25Å; C299-C302 VanDerWaalsContact O-SG 3.41Å; C302-I395 VanDerWaalsContact O-CD1 3.25Å; C302-I395 WeakPolarHBondContact O-CD1 3.22Å
303F88.6Confident77.2Confident5 Ų569.4 Ų69.42%0.02237%0.372CS..  trans-71.3139.5171.2-67.5-79.5000110.4V309 I325 T328 Y334 V354 A391 I395 F396F303-V309 HydrophobicContact CD1-CG1 4.37Å; F303-V309 HydrophobicContact CE1-CG1 3.95Å; F303-I325 HydrophobicContact CB-CD1 4.44Å; F303-I325 HydrophobicContact CB-CG1 4.34Å; F303-I325 HydrophobicContact CD1-CD1 4.14Å; F303-I325 HydrophobicContact CD1-CG1 4.15Å; F303-I325 HydrophobicContact CG-CD1 4.34Å; F303-T328 WeakPolarHBondContact O-CG2 3.4Å; F303-Y334 HydrophobicContact CB-CD1 3.84Å; F303-Y334 HydrophobicContact CB-CE1 3.68Å; F303-Y334 HydrophobicContact CB-CE2 4.34Å; F303-Y334 HydrophobicContact CB-CG 4.29Å; F303-Y334 AromaticContact CD2-CD2 3.87Å; F303-Y334 HydrophobicContact CD2-CD2 3.87Å; F303-Y334 HydrophobicContact CD2-CE1 4.33Å; F303-Y334 AromaticContact CD2-CE2 3.47Å; F303-Y334 HydrophobicContact CD2-CE2 3.47Å; F303-Y334 VanDerWaalsContact CD2-CE2 3.47Å; F303-Y334 HydrophobicContact CD2-CG 4.42Å; F303-Y334 AromaticContact CD2-CZ 3.74Å; F303-Y334 HydrophobicContact CE2-CE2 4.23Å; F303-Y334 HydrophobicContact CG-CE1 4.49Å; F303-Y334 HydrophobicContact CG-CE2 4.32Å; F303-V354 HydrophobicContact CZ-CG1 4.44Å; F303-A391 HydrophobicContact CD1-CB 3.7Å; F303-A391 HydrophobicContact CE1-CB 3.61Å; F303-I395 HydrophobicContact CD2-CG2 3.74Å; F303-I395 HydrophobicContact CE1-CG2 4.31Å; F303-I395 HydrophobicContact CE2-CG2 3.45Å; F303-I395 VanDerWaalsContact CE2-CG2 3.45Å; F303-I395 HydrophobicContact CG-CG2 4.31Å; F303-I395 HydrophobicContact CZ-CB 4.43Å; F303-I395 HydrophobicContact CZ-CG2 3.76Å; F303-F396 AromaticContact CE1-CE1 3.71Å; F303-F396 HydrophobicContact CE1-CE1 3.71Å; F303-F396 HydrophobicContact CE1-CE2 4.09Å; F303-F396 AromaticContact CE1-CZ 3.47Å; F303-F396 HydrophobicContact CE1-CZ 3.47Å; F303-F396 VanDerWaalsContact CE1-CZ 3.47Å; F303-F396 AromaticContact CZ-CD1 3.96Å; F303-F396 HydrophobicContact CZ-CD1 3.96Å; F303-F396 AromaticContact CZ-CE1 3.54Å; F303-F396 HydrophobicContact CZ-CE1 3.54Å; F303-F396 HydrophobicContact CZ-CE2 4.32Å; F303-F396 AromaticContact CZ-CZ 3.76Å; F303-F396 HydrophobicContact CZ-CZ 3.76Å
304L89.9Confident79.2Confident78 Ų7860 Ų6041%0.40834%0.339SS..  trans-111.9153.3172.7-58.3-179.8000110.4M307L304-M307 HydrophobicContact CB-CE 3.85Å; L304-M307 HydrophobicContact CB-CG 4.16Å; L304-M307 HydrophobicContact CB-SD 3.92Å; L304-M307 HydrophobicContact CD1-CE 3.81Å; L304-M307 HydrophobicContact CG-CE 3.82Å; L304-M307 HydrophobicContact CG-SD 4.32Å; L304-M307 PolarHBondContact N-SD 2.84Å; L304-M307 WeakPolarHBondContact O-CB 3.42Å; L304-M307 WeakPolarHBondContact O-CG 3.38Å; L304-M307 PolarHBondContact O-N 3.37Å
305N91.7Very high81.4Confident69 Ų6954.8 Ų54.837%0.36931%0.311SS..THydrogen-bonded Turntrans-54.3144.8171.5-68.4-30.6000110.4M307 I325 K327 T328N305-M307 PolarHBondContact O-N 2.8Å; N305-I325 CarbonylContact C-O 3.43Å; N305-I325 WeakPolarHBondContact CA-O 3.3Å; N305-K327 VanDerWaalsContact OD1-CA 3.29Å; N305-K327 WeakPolarHBondContact OD1-CA 3.08Å; N305-T328 PolarHBondContact OD1-N 2.8Å
306H94.6Very high83.4Confident138 Ų13853.6 Ų53.664%0.63930%0.298SS*.THydrogen-bonded Turntrans70.9-0.6-177.6-45.7-67.6000116I325H306-I325 PolarHBondContact N-O 3.05Å
307M96Very high85.7Confident25 Ų2545.9 Ų45.912%0.12326%0.262CS..  trans-66139.3170.3-74-178167.900111.3L304 N305 T324 I325 M389 A391L304-M307 HydrophobicContact CB-CE 3.85Å; L304-M307 HydrophobicContact CB-CG 4.16Å; L304-M307 HydrophobicContact CB-SD 3.92Å; L304-M307 HydrophobicContact CD1-CE 3.81Å; L304-M307 HydrophobicContact CG-CE 3.82Å; L304-M307 HydrophobicContact CG-SD 4.32Å; L304-M307 PolarHBondContact N-SD 2.84Å; L304-M307 WeakPolarHBondContact O-CB 3.42Å; L304-M307 WeakPolarHBondContact O-CG 3.38Å; L304-M307 PolarHBondContact O-N 3.37Å; N305-M307 PolarHBondContact O-N 2.8Å; M307-T324 WeakPolarHBondContact O-CA 3.21Å; M307-I325 HydrophobicContact CB-CG1 4.34Å; M307-I325 PolarHBondContact O-N 3.38Å; M307-M389 CarbonylContact C-O 3.54Å; M307-M389 VanDerWaalsContact CA-O 3.29Å; M307-M389 WeakPolarHBondContact CA-O 3.34Å; M307-A391 HydrophobicContact CB-CB 4.09Å; M307-A391 HydrophobicContact SD-CB 4.03Å
308K98Very high87.9Confident16 Ų1639 Ų397%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-88.5142175-60.2-63.3-169.5174.50111.8G323 T324 D339 W379 Y382 L383 S388 M389 A390 A391K308-G323 WeakPolarHBondContact CA-O 3.29Å; K308-T324 WeakPolarHBondContact CD-OG1 3.34Å; K308-T324 PolarHBondContact NZ-OG1 2.8Å; K308-D339 IonicContact NZ-OD1 3.8Å; K308-D339 IonicContact NZ-OD2 3.7Å; K308-D339 PolarHBondContact NZ-OD2 2.83Å; K308-W379 HydrophobicContact CB-CH2 4.15Å; K308-W379 HydrophobicContact CB-CZ3 3.69Å; K308-W379 HydrophobicContact CG-CZ3 4.37Å; K308-Y382 HydrophobicContact CD-CE1 4.2Å; K308-Y382 PolarHBondContact NZ-OH 2.91Å; K308-L383 HydrophobicContact CB-CD2 3.97Å; K308-L383 HydrophobicContact CG-CD2 3.69Å; K308-S388 WeakPolarHBondContact CE-OG 3.32Å; K308-S388 WeakPolarHBondContact CG-OG 3.48Å; K308-M389 PolarHBondContact N-O 2.93Å; K308-A390 WeakPolarHBondContact O-CA 3.47Å; K308-A391 PolarHBondContact O-N 3.45Å
309V98.2Very high90.1Very high0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans-141.9165.7-179.6-62.40000110.2F303 G323 I325 V336 V354 A391 F396F303-V309 HydrophobicContact CD1-CG1 4.37Å; F303-V309 HydrophobicContact CE1-CG1 3.95Å; V309-G323 PolarHBondContact N-O 3.31Å; V309-G323 PolarHBondContact O-N 3.33Å; V309-G323 VanDerWaalsContact O-O 3.12Å; V309-I325 HydrophobicContact CG1-CD1 4.31Å; V309-I325 HydrophobicContact CG1-CG1 4.25Å; V309-I325 HydrophobicContact CG2-CD1 4.48Å; V309-V336 HydrophobicContact CG2-CG1 3.95Å; V309-V336 HydrophobicContact CG2-CG2 4.35Å; V309-V354 HydrophobicContact CB-CG1 3.98Å; V309-V354 HydrophobicContact CG1-CG1 4.1Å; V309-V354 HydrophobicContact CG2-CG1 3.95Å; V309-A391 HydrophobicContact CG1-CB 3.8Å; V309-F396 HydrophobicContact CG1-CE1 4.47Å; V309-F396 HydrophobicContact CG1-CZ 4.06Å
310E98.5Very high91.9Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-93.6146.8157-68.7179.4-160.800108.1I320 R321 L355 G358 F359 S360 L367 W379E310-I320 HydrophobicContact CB-CG2 3.85Å; E310-R321 CarbonylContact C-O 3.58Å; E310-R321 WeakPolarHBondContact CA-O 3.27Å; E310-L355 HydrophobicContact CB-CB 3.81Å; E310-L355 PolarHBondContact N-O 3.39Å; E310-L355 PolarHBondContact O-N 3.39Å; E310-G358 WeakPolarHBondContact OE1-CA 3.37Å; E310-G358 PolarHBondContact OE1-N 3.29Å; E310-F359 PolarHBondContact OE1-N 3.19Å; E310-S360 WeakPolarHBondContact OE2-CB 3.28Å; E310-S360 PolarHBondContact OE2-N 3.02Å; E310-S360 PolarHBondContact OE2-OG 2.74Å; E310-L367 HydrophobicContact CB-CD1 4.5Å; E310-L367 HydrophobicContact CG-CD1 3.83Å; E310-L367 HydrophobicContact CG-CD2 4.37Å; E310-W379 HydrophobicContact CG-CZ2 3.54Å; E310-W379 PolarHBondContact OE1-NE1 3.05Å
311A98.2Very high93.6Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans-150.6153.3-179.300000112.7R321 V336 F338 L353A311-R321 PolarHBondContact N-O 2.88Å; A311-R321 PolarHBondContact O-N 3.33Å; A311-V336 HydrophobicContact CB-CG1 4.06Å; A311-F338 HydrophobicContact CB-CE1 3.74Å; A311-F338 HydrophobicContact CB-CZ 4.34Å; A311-L353 CarbonylContact C-O 3.55Å; A311-L353 VanDerWaalsContact CA-O 3.26Å; A311-L353 WeakPolarHBondContact CA-O 3.38Å
312I98Very high94.8Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-113.8129175.1-66.2155.5000108.4P314 P317 I320 Y347 L353 L355 L434 W449I312-P314 WeakPolarHBondContact O-CD 3.41Å; I312-P317 HydrophobicContact CG2-CB 3.76Å; I312-I320 HydrophobicContact CD1-CD1 4.45Å; I312-I320 HydrophobicContact CD1-CG1 4.13Å; I312-I320 HydrophobicContact CG1-CB 4.42Å; I312-I320 HydrophobicContact CG1-CG1 3.83Å; I312-Y347 PolarHBondContact O-OH 3.01Å; I312-L353 HydrophobicContact CB-CB 4.23Å; I312-L353 HydrophobicContact CB-CD2 4.17Å; I312-L353 HydrophobicContact CD1-CD2 4.13Å; I312-L353 HydrophobicContact CG2-CD2 4.21Å; I312-L353 PolarHBondContact N-O 3.06Å; I312-L355 HydrophobicContact CD1-CD1 4.14Å; I312-L434 HydrophobicContact CD1-CD1 3.7Å; I312-L434 HydrophobicContact CD1-CD2 3.79Å; I312-L434 HydrophobicContact CD1-CG 4.36Å; I312-W449 HydrophobicContact CD1-CB 3.66Å; I312-W449 HydrophobicContact CD1-CD2 4.49Å; I312-W449 HydrophobicContact CD1-CG 3.84Å; I312-W449 HydrophobicContact CG1-CB 4.36Å; I312-W449 HydrophobicContact CG1-CG 4.38Å; I312-W449 HydrophobicContact CG2-CB 4.08Å
313D95.7Very high95.6Very high1 Ų127.5 Ų27.51%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-69.7117.5175.8-170.6-24.6000110.7L315 Q316 P317 R321 F338 R345D313-L315 PolarHBondContact O-N 3.07Å; D313-L315 VanDerWaalsContact O-N 3.15Å; D313-L315 WeakPolarHBondContact OD1-CB 3.27Å; D313-L315 PolarHBondContact OD1-N 2.99Å; D313-Q316 HydrophobicContact CB-CB 4.12Å; D313-Q316 CarbonylContact O-C 3.57Å; D313-Q316 PolarHBondContact O-N 2.8Å; D313-Q316 PolarHBondContact OD1-N 2.71Å; D313-P317 WeakPolarHBondContact O-CA 3.3Å; D313-P317 WeakPolarHBondContact O-CB 3.32Å; D313-R321 IonicContact OD2-NH2 2.66Å; D313-R321 PolarHBondContact OD2-NH2 3.04Å; D313-R321 VanDerWaalsContact OD2-NH2 3.11Å; D313-F338 HydrophobicContact CB-CE2 3.92Å; D313-F338 HydrophobicContact CB-CZ 3.71Å; D313-R345 IonicContact OD1-CZ 2.64Å; D313-R345 IonicContact OD1-NE 3.98Å; D313-R345 PolarHBondContact OD1-NE 2.87Å; D313-R345 IonicContact OD1-NH2 2.74Å; D313-R345 PolarHBondContact OD1-NH2 3.17Å; D313-R345 IonicContact OD2-CZ 3.72Å; D313-R345 IonicContact OD2-NE 3.7Å; D313-R345 PolarHBondContact OD2-NE 3.12Å; D313-R345 IonicContact OD2-NH2 3.27Å; D313-R345 PolarHBondContact OD2-NH2 3.33Å
314P93.4Very high96.1Very high18 Ų1827.9 Ų27.912%0.11714%0.141CC..THydrogen-bonded Turntrans-64.4-20.218027.1-35.7000112.9I239 I312 R345 Y347 L353I239-P314 HydrophobicContact CG2-CB 4.48Å; I312-P314 WeakPolarHBondContact O-CD 3.41Å; P314-R345 HydrophobicContact CG-CG 4.47Å; P314-Y347 WeakPolarHBondContact CD-OH 3.27Å; P314-Y347 HydrophobicContact CG-CE1 4.25Å; P314-L353 HydrophobicContact CB-CD1 3.94Å
315L91.7Very high96.4Very high49 Ų4924.2 Ų24.226%0.25712%0.121SC..THydrogen-bonded Turntrans-90.1-22.9175.1-57.2-175.2000112.5Y188 I239 D313Y188-L315 HydrophobicContact CD2-CD1 3.65Å; Y188-L315 HydrophobicContact CE2-CD1 4.38Å; Y188-L315 HydrophobicContact CG-CD1 3.71Å; I239-L315 HydrophobicContact CD1-CD2 4.28Å; I239-L315 HydrophobicContact CG2-CD2 4.39Å; D313-L315 PolarHBondContact O-N 3.07Å; D313-L315 VanDerWaalsContact O-N 3.15Å; D313-L315 WeakPolarHBondContact OD1-CB 3.27Å; D313-L315 PolarHBondContact OD1-N 2.99Å
316Q94.3Very high96.5Very high51 Ų5122.7 Ų22.724%0.23811%0.114CC..EExtended strand (participates in β ladder)trans-13568.3176.7-60-174.34.800110.6D313 T318 M417 E486D313-Q316 HydrophobicContact CB-CB 4.12Å; D313-Q316 CarbonylContact O-C 3.57Å; D313-Q316 PolarHBondContact O-N 2.8Å; D313-Q316 PolarHBondContact OD1-N 2.71Å; Q316-T318 PolarHBondContact O-N 2.82Å; Q316-M417 HydrophobicContact CB-SD 4.18Å; Q316-M417 HydrophobicContact CG-CE 3.96Å; Q316-M417 HydrophobicContact CG-SD 3.7Å; Q316-E486 VanDerWaalsContact NE2-CD 3.34Å; Q316-E486 PolarHBondContact NE2-OE1 3.46Å; Q316-E486 PolarHBondContact NE2-OE2 2.94Å
317P96.3Very high96.3Very high7 Ų720 Ų205%0.04510%0.101CC..EExtended strand (participates in β ladder)trans-80.737-167.833.4-37.9000113I312 D313 V416 H448 W449I312-P317 HydrophobicContact CG2-CB 3.76Å; D313-P317 WeakPolarHBondContact O-CA 3.3Å; D313-P317 WeakPolarHBondContact O-CB 3.32Å; P317-V416 VanDerWaalsContact CD-CG2 3.43Å; P317-V416 HydrophobicContact CG-CG2 3.71Å; P317-H448 HydrophobicContact CB-CB 4.42Å; P317-H448 HydrophobicContact CG-CB 3.86Å; P317-H448 CarbonylContact O-C 3.6Å; P317-H448 VanDerWaalsContact O-CA 3.32Å; P317-H448 WeakPolarHBondContact O-CA 3.4Å; P317-W449 PolarHBondContact O-N 3.09Å
318T96.3Very high95.8Very high36 Ų3621.6 Ų21.622%0.22111%0.112CC..EExtended strand (participates in β ladder)trans-94.1-16-17353.10000113.1Q316 F447Q316-T318 PolarHBondContact O-N 2.82Å; T318-F447 VanDerWaalsContact O-CE2 3.26Å; T318-F447 WeakPolarHBondContact O-CE2 3.28Å; T318-F447 WeakPolarHBondContact O-CZ 3.4Å
319E96.5Very high95Very high54 Ų5421.8 Ų21.825%0.25211%0.113SC..EExtended strand (participates in β ladder)trans-143.1154.2-176.155.4175.6-172.400111.7R321 T368E319-R321 HydrophobicContact CG-CG 3.98Å; E319-R321 WeakPolarHBondContact OE1-CD 3.36Å; E319-R321 IonicContact OE1-CZ 3.04Å; E319-R321 IonicContact OE1-NE 3.16Å; E319-R321 IonicContact OE1-NH1 2.65Å; E319-R321 PolarHBondContact OE1-NH1 3.04Å; E319-T368 WeakPolarHBondContact OE2-CG2 3.16Å; E319-T368 PolarHBondContact OE2-OG1 2.92Å
320I97.9Very high93.8Very high1 Ų128.7 Ų28.71%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-97.4128165.3-51.4-173000106.5E310 I312 L355 F359 S360 I365 L367 T368 L434 W449E310-I320 HydrophobicContact CB-CG2 3.85Å; I312-I320 HydrophobicContact CD1-CD1 4.45Å; I312-I320 HydrophobicContact CD1-CG1 4.13Å; I312-I320 HydrophobicContact CG1-CB 4.42Å; I312-I320 HydrophobicContact CG1-CG1 3.83Å; I320-L355 HydrophobicContact CD1-CD1 3.9Å; I320-L355 HydrophobicContact CG2-CD1 4.04Å; I320-F359 HydrophobicContact CD1-CD1 4.49Å; I320-F359 HydrophobicContact CD1-CE1 4.44Å; I320-S360 WeakPolarHBondContact CG2-OG 3.31Å; I320-I365 HydrophobicContact CD1-CD1 3.91Å; I320-I365 HydrophobicContact CD1-CG2 3.79Å; I320-I365 HydrophobicContact CG1-CG2 4.27Å; I320-L367 HydrophobicContact CB-CD1 4.4Å; I320-L367 HydrophobicContact CG2-CD1 3.94Å; I320-T368 WeakPolarHBondContact O-CB 3.4Å; I320-T368 PolarHBondContact O-N 2.7Å; I320-L434 HydrophobicContact CD1-CD2 4.24Å; I320-W449 HydrophobicContact CD1-CZ2 4.26Å
321R98.3Very high92.6Very high26 Ų2629.2 Ų29.210%0.09814%0.143CC..EExtended strand (participates in β ladder)trans-120.1156-177.9-73.7-168.8-71.6-13915.1111.3E310 A311 D313 E319 F338 T368E310-R321 CarbonylContact C-O 3.58Å; E310-R321 WeakPolarHBondContact CA-O 3.27Å; A311-R321 PolarHBondContact N-O 2.88Å; A311-R321 PolarHBondContact O-N 3.33Å; D313-R321 IonicContact OD2-NH2 2.66Å; D313-R321 PolarHBondContact OD2-NH2 3.04Å; D313-R321 VanDerWaalsContact OD2-NH2 3.11Å; E319-R321 HydrophobicContact CG-CG 3.98Å; E319-R321 WeakPolarHBondContact OE1-CD 3.36Å; E319-R321 IonicContact OE1-CZ 3.04Å; E319-R321 IonicContact OE1-NE 3.16Å; E319-R321 IonicContact OE1-NH1 2.65Å; E319-R321 PolarHBondContact OE1-NH1 3.04Å; R321-F338 HydrophobicContact CB-CD1 3.49Å; R321-F338 VanDerWaalsContact CB-CD1 3.49Å; R321-F338 HydrophobicContact CB-CE1 3.92Å; R321-F338 HydrophobicContact CG-CD1 4.24Å; R321-F338 VanDerWaalsContact NE-CG 3.33Å; R321-T368 HydrophobicContact CG-CG2 4.07Å
322V98.5Very high91.8Very high3 Ų332.1 Ų32.12%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-69.3136.7165.7179.60000109.9D339 L367 T368 P370 F377 W379 Y382V322-D339 HydrophobicContact CB-CB 4.41Å; V322-D339 HydrophobicContact CG1-CB 4.05Å; V322-D339 WeakPolarHBondContact CG1-OD2 3.39Å; V322-D339 PolarHBondContact O-N 3.41Å; V322-L367 HydrophobicContact CG2-CD1 4.18Å; V322-L367 HydrophobicContact CG2-CD2 3.86Å; V322-L367 HydrophobicContact CG2-CG 4.09Å; V322-T368 PolarHBondContact N-O 2.65Å; V322-P370 HydrophobicContact CB-CG 3.83Å; V322-P370 HydrophobicContact CG1-CG 3.85Å; V322-P370 HydrophobicContact CG2-CG 4.16Å; V322-F377 HydrophobicContact CG2-CE1 4.19Å; V322-F377 HydrophobicContact CG2-CE2 3.85Å; V322-F377 HydrophobicContact CG2-CZ 3.53Å; V322-W379 HydrophobicContact CG1-CH2 3.8Å; V322-W379 HydrophobicContact CG1-CZ2 4.44Å; V322-W379 HydrophobicContact CG1-CZ3 4.35Å; V322-W379 HydrophobicContact CG2-CH2 4.31Å; V322-W379 HydrophobicContact CG2-CZ2 4.14Å; V322-Y382 HydrophobicContact CG1-CD1 4.32Å; V322-Y382 HydrophobicContact CG1-CE1 3.75Å
323G98.1Very high91.2Very high0 Ų033.6 Ų33.60%016%0.164CC..EExtended strand (participates in β ladder)trans-143.6164.7177.500000114K308 V309 R337K308-G323 WeakPolarHBondContact CA-O 3.29Å; V309-G323 PolarHBondContact N-O 3.31Å; V309-G323 PolarHBondContact O-N 3.33Å; V309-G323 VanDerWaalsContact O-O 3.12Å; G323-R337 CarbonylContact C-O 3.52Å; G323-R337 WeakPolarHBondContact CA-O 3.31Å
324T98Very high90.9Very high14 Ų1434 Ų349%0.08617%0.165CC..EExtended strand (participates in β ladder)trans-124.2134.2178.6-580000110.2M307 K308 V326 V336 R337 D339M307-T324 WeakPolarHBondContact O-CA 3.21Å; K308-T324 WeakPolarHBondContact CD-OG1 3.34Å; K308-T324 PolarHBondContact NZ-OG1 2.8Å; T324-V326 HydrophobicContact CG2-CG1 4.3Å; T324-V326 PolarHBondContact O-N 2.89Å; T324-V326 VanDerWaalsContact O-N 3.13Å; T324-V336 CarbonylContact O-C 3.36Å; T324-V336 WeakPolarHBondContact O-CA 3.26Å; T324-R337 PolarHBondContact N-O 2.89Å; T324-R337 PolarHBondContact O-N 3.32Å; T324-D339 WeakPolarHBondContact CB-OD1 3.28Å; T324-D339 PolarHBondContact N-OD1 3.49Å; T324-D339 VanDerWaalsContact OG1-CG 3.31Å; T324-D339 PolarHBondContact OG1-OD1 3.37Å; T324-D339 PolarHBondContact OG1-OD2 3.44Å
325I96.2Very high90.9Very high1 Ų133.3 Ų33.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-69.3105167.9-54.9-67.4000108.3F303 N305 H306 M307 V309 T328 Y334 V336F303-I325 HydrophobicContact CB-CD1 4.44Å; F303-I325 HydrophobicContact CB-CG1 4.34Å; F303-I325 HydrophobicContact CD1-CD1 4.14Å; F303-I325 HydrophobicContact CD1-CG1 4.15Å; F303-I325 HydrophobicContact CG-CD1 4.34Å; N305-I325 CarbonylContact C-O 3.43Å; N305-I325 WeakPolarHBondContact CA-O 3.3Å; H306-I325 PolarHBondContact N-O 3.05Å; M307-I325 HydrophobicContact CB-CG1 4.34Å; M307-I325 PolarHBondContact O-N 3.38Å; V309-I325 HydrophobicContact CG1-CD1 4.31Å; V309-I325 HydrophobicContact CG1-CG1 4.25Å; V309-I325 HydrophobicContact CG2-CD1 4.48Å; I325-T328 HydrophobicContact CG2-CG2 4.35Å; I325-Y334 HydrophobicContact CG2-CD1 4.43Å; I325-V336 HydrophobicContact CD1-CG2 3.72Å
326V94.7Very high91.1Very high36 Ų3631 Ų3122%0.21815%0.148CC..EExtended strand (participates in β ladder)trans-96-21.5-177.3-66.40000113T324 I335 R337 E344T324-V326 HydrophobicContact CG2-CG1 4.3Å; T324-V326 PolarHBondContact O-N 2.89Å; T324-V326 VanDerWaalsContact O-N 3.13Å; V326-I335 HydrophobicContact CG2-CB 3.97Å; V326-I335 HydrophobicContact CG2-CG2 3.67Å; V326-I335 WeakPolarHBondContact CG2-O 3.44Å; V326-I335 PolarHBondContact N-O 2.92Å; V326-R337 HydrophobicContact CG1-CB 3.59Å; V326-R337 HydrophobicContact CG2-CB 4.14Å; V326-E344 HydrophobicContact CG2-CG 4.5Å
327K89.5Confident91.2Very high82 Ų8233.1 Ų33.136%0.35715%0.154SC..EExtended strand (participates in β ladder)trans-151124.8178.1-167.9178.2179.3-170.50111.1N305 L329 Y334 I335N305-K327 VanDerWaalsContact OD1-CA 3.29Å; N305-K327 WeakPolarHBondContact OD1-CA 3.08Å; K327-L329 HydrophobicContact CD-CD2 3.73Å; K327-L329 VanDerWaalsContact CE-CD2 3.47Å; K327-L329 HydrophobicContact CG-CD2 3.89Å; K327-Y334 CarbonylContact O-C 3.59Å; K327-Y334 WeakPolarHBondContact O-CA 3.26Å; K327-I335 HydrophobicContact CB-CB 3.96Å; K327-I335 HydrophobicContact CB-CG1 3.96Å; K327-I335 HydrophobicContact CD-CG1 4.43Å; K327-I335 PolarHBondContact N-O 3.36Å; K327-I335 PolarHBondContact O-N 2.93Å
328T86.5Confident91.3Very high58 Ų5832.8 Ų32.836%0.35615%0.152SC..EExtended strand (participates in β ladder)trans-85.7127.8164.555.60000109.8F303 N305 I325 Y334F303-T328 WeakPolarHBondContact O-CG2 3.4Å; N305-T328 PolarHBondContact OD1-N 2.8Å; I325-T328 HydrophobicContact CG2-CG2 4.35Å; T328-Y334 HydrophobicContact CG2-CD1 3.79Å; T328-Y334 HydrophobicContact CG2-CE1 4Å
329L80.3Confident91.3Very high20 Ų2032.1 Ų32.111%0.10515%0.147CC..  trans-105174.4173.5-53.4178.9000109.7W245 Y251 K327 Y333 I335W245-L329 HydrophobicContact CH2-CD1 4.38Å; Y251-L329 HydrophobicContact CD2-CD1 4.12Å; K327-L329 HydrophobicContact CD-CD2 3.73Å; K327-L329 VanDerWaalsContact CE-CD2 3.47Å; K327-L329 HydrophobicContact CG-CD2 3.89Å; L329-Y333 WeakPolarHBondContact CA-O 3.19Å; L329-Y333 VanDerWaalsContact CB-O 3.31Å; L329-Y333 WeakPolarHBondContact CB-O 3.42Å; L329-Y333 PolarHBondContact N-O 3.27Å; L329-I335 HydrophobicContact CD1-CD1 4.04Å; L329-I335 HydrophobicContact CD1-CG1 4.33Å
330R74.1Confident91.2Very high146 Ų14632.3 Ų32.355%0.55116%0.163SC*.SBendtrans-65.3163.4173.5-68.3177.6174.1170.1-5.4111.2Y248 F249 D332 Y333Y248-R330 HydrophobicContact CE1-CB 4.35Å; Y248-R330 PolarHBondContact O-NH1 2.91Å; F249-R330 HydrophobicContact CD1-CB 3.64Å; F249-R330 WeakPolarHBondContact CD1-O 3.39Å; F249-R330 VanDerWaalsContact CE1-C 3.47Å; F249-R330 HydrophobicContact CE1-CB 3.95Å; F249-R330 WeakPolarHBondContact CE1-O 3.34Å; R330-D332 PolarHBondContact O-N 2.99Å; R330-Y333 PolarHBondContact O-N 3.07Å
331N72.9Confident91Very high11 Ų1135 Ų356%0.05918%0.18CC..THydrogen-bonded Turntrans40.551-178.9-32.5148.6000113.9Y248 F249 V288 S291 Y333 H348Y248-N331 VanDerWaalsContact CE1-OD1 3.22Å; Y248-N331 WeakPolarHBondContact CE1-OD1 3.48Å; Y248-N331 PolarHBondContact OH-ND2 3.2Å; F249-N331 HydrophobicContact CE1-CB 3.73Å; F249-N331 VanDerWaalsContact CE1-OD1 3.3Å; F249-N331 WeakPolarHBondContact CE1-OD1 3.19Å; F249-N331 HydrophobicContact CZ-CB 4.17Å; F249-N331 VanDerWaalsContact CZ-OD1 3.25Å; F249-N331 WeakPolarHBondContact CZ-OD1 3.42Å; V288-N331 WeakPolarHBondContact CA-OD1 3.5Å; V288-N331 VanDerWaalsContact CG2-OD1 3.28Å; V288-N331 WeakPolarHBondContact CG2-OD1 3.47Å; S291-N331 VanDerWaalsContact CB-ND2 3.33Å; S291-N331 WeakPolarHBondContact CB-ND2 3.39Å; S291-N331 WeakPolarHBondContact OG-CA 3.44Å; S291-N331 VanDerWaalsContact OG-CB 3.29Å; S291-N331 WeakPolarHBondContact OG-CB 3.4Å; S291-N331 VanDerWaalsContact OG-CG 3.28Å; S291-N331 PolarHBondContact OG-ND2 3.17Å; N331-Y333 WeakPolarHBondContact O-CD2 3.34Å; N331-Y333 PolarHBondContact O-N 3.1Å; N331-Y333 VanDerWaalsContact O-N 3.12Å; N331-H348 PolarHBondContact O-CD2 2.94Å
332D79.9Confident90.6Very high61 Ų6141 Ų4133%0.32621%0.214SC..THydrogen-bonded Turntrans6028.9169-54.8-39.5000114.6R330 Y334 H348 Y349R330-D332 PolarHBondContact O-N 2.99Å; D332-Y334 WeakPolarHBondContact CA-OH 3.42Å; D332-Y334 HydrophobicContact CB-CE2 4.23Å; D332-Y334 WeakPolarHBondContact O-CD2 3.36Å; D332-Y334 WeakPolarHBondContact O-CE2 3.45Å; D332-Y334 PolarHBondContact OD1-OH 3Å; D332-H348 CarbonylContact O-C 3.57Å; D332-H348 WeakPolarHBondContact O-CA 3.02Å; D332-H348 PolarHBondContact O-CD2 3.33Å; D332-Y349 HydrophobicContact CB-CD1 3.35Å; D332-Y349 HydrophobicContact CB-CE1 4.12Å; D332-Y349 HydrophobicContact CB-CG 3.98Å; D332-Y349 PolarHBondContact O-N 2.93Å
333Y86.2Confident90.4Very high30 Ų3042.9 Ų42.912%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-90.5145.1163.8-77.1-88.2000110.7F241 W245 F249 L329 R330 N331 Y347 H348F241-Y333 HydrophobicContact CE1-CE1 4.24Å; W245-Y333 HydrophobicContact CZ2-CD1 4.31Å; W245-Y333 AromaticContact NE1-CE2 3.99Å; W245-Y333 AromaticContact NE1-CZ 3.86Å; F249-Y333 HydrophobicContact CD1-CD2 4.25Å; F249-Y333 AromaticContact CE1-CD2 3.79Å; F249-Y333 HydrophobicContact CE1-CD2 3.79Å; F249-Y333 HydrophobicContact CE1-CE2 4.23Å; F249-Y333 HydrophobicContact CE2-CE2 4.39Å; F249-Y333 AromaticContact CZ-CD2 3.96Å; F249-Y333 HydrophobicContact CZ-CD2 3.96Å; F249-Y333 AromaticContact CZ-CE2 3.92Å; F249-Y333 HydrophobicContact CZ-CE2 3.92Å; L329-Y333 WeakPolarHBondContact CA-O 3.19Å; L329-Y333 VanDerWaalsContact CB-O 3.31Å; L329-Y333 WeakPolarHBondContact CB-O 3.42Å; L329-Y333 PolarHBondContact N-O 3.27Å; R330-Y333 PolarHBondContact O-N 3.07Å; N331-Y333 WeakPolarHBondContact O-CD2 3.34Å; N331-Y333 PolarHBondContact O-N 3.1Å; N331-Y333 VanDerWaalsContact O-N 3.12Å; Y333-Y347 CarbonylContact C-O 3.51Å; Y333-Y347 VanDerWaalsContact CA-O 3.31Å; Y333-Y347 WeakPolarHBondContact CA-O 3.4Å; Y333-H348 HydrophobicContact CD1-CB 4.04Å; Y333-H348 HydrophobicContact CE1-CB 3.8Å; Y333-H348 AromaticContact CE2-CD2 3.87Å
334Y90.1Very high90.2Very high11 Ų1144.1 Ų44.14%0.04323%0.231CC..EExtended strand (participates in β ladder)trans-143.2146.7-178.2-44.9-83.6000110.9F303 I325 K327 T328 D332 C346 Y347F303-Y334 HydrophobicContact CB-CD1 3.84Å; F303-Y334 HydrophobicContact CB-CE1 3.68Å; F303-Y334 HydrophobicContact CB-CE2 4.34Å; F303-Y334 HydrophobicContact CB-CG 4.29Å; F303-Y334 AromaticContact CD2-CD2 3.87Å; F303-Y334 HydrophobicContact CD2-CD2 3.87Å; F303-Y334 HydrophobicContact CD2-CE1 4.33Å; F303-Y334 AromaticContact CD2-CE2 3.47Å; F303-Y334 HydrophobicContact CD2-CE2 3.47Å; F303-Y334 VanDerWaalsContact CD2-CE2 3.47Å; F303-Y334 HydrophobicContact CD2-CG 4.42Å; F303-Y334 AromaticContact CD2-CZ 3.74Å; F303-Y334 HydrophobicContact CE2-CE2 4.23Å; F303-Y334 HydrophobicContact CG-CE1 4.49Å; F303-Y334 HydrophobicContact CG-CE2 4.32Å; I325-Y334 HydrophobicContact CG2-CD1 4.43Å; K327-Y334 CarbonylContact O-C 3.59Å; K327-Y334 WeakPolarHBondContact O-CA 3.26Å; T328-Y334 HydrophobicContact CG2-CD1 3.79Å; T328-Y334 HydrophobicContact CG2-CE1 4Å; D332-Y334 WeakPolarHBondContact CA-OH 3.42Å; D332-Y334 HydrophobicContact CB-CE2 4.23Å; D332-Y334 WeakPolarHBondContact O-CD2 3.36Å; D332-Y334 WeakPolarHBondContact O-CE2 3.45Å; D332-Y334 PolarHBondContact OD1-OH 3Å; Y334-C346 WeakPolarHBondContact O-CA 3.42Å; Y334-Y347 PolarHBondContact N-O 3.29Å; Y334-Y347 PolarHBondContact O-N 3.27Å
335I92.8Very high90Very high2 Ų244.5 Ų44.51%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-97.1119.2169.7-52.1-55.6000108.3Y251 V326 K327 L329 E344 R345 C346Y251-I335 HydrophobicContact CE2-CD1 3.84Å; Y251-I335 HydrophobicContact CE2-CG1 4.33Å; V326-I335 HydrophobicContact CG2-CB 3.97Å; V326-I335 HydrophobicContact CG2-CG2 3.67Å; V326-I335 WeakPolarHBondContact CG2-O 3.44Å; V326-I335 PolarHBondContact N-O 2.92Å; K327-I335 HydrophobicContact CB-CB 3.96Å; K327-I335 HydrophobicContact CB-CG1 3.96Å; K327-I335 HydrophobicContact CD-CG1 4.43Å; K327-I335 PolarHBondContact N-O 3.36Å; K327-I335 PolarHBondContact O-N 2.93Å; L329-I335 HydrophobicContact CD1-CD1 4.04Å; L329-I335 HydrophobicContact CD1-CG1 4.33Å; I335-E344 HydrophobicContact CG2-CB 3.76Å; I335-E344 HydrophobicContact CG2-CG 4.07Å; I335-E344 WeakPolarHBondContact CG2-OE2 3.43Å; I335-R345 WeakPolarHBondContact CA-O 3.33Å; I335-C346 HydrophobicContact CD1-CB 3.63Å
336V96.1Very high89.8Confident0 Ų044.9 Ų44.90%023%0.234CC..EExtended strand (participates in β ladder)trans-99.5127.7170.7-178.50000107.8V309 A311 T324 I325 E344 R345 Y347 V354V309-V336 HydrophobicContact CG2-CG1 3.95Å; V309-V336 HydrophobicContact CG2-CG2 4.35Å; A311-V336 HydrophobicContact CB-CG1 4.06Å; T324-V336 CarbonylContact O-C 3.36Å; T324-V336 WeakPolarHBondContact O-CA 3.26Å; I325-V336 HydrophobicContact CD1-CG2 3.72Å; V336-E344 CarbonylContact O-C 3.55Å; V336-E344 WeakPolarHBondContact O-CA 3.48Å; V336-R345 PolarHBondContact N-O 3.26Å; V336-R345 PolarHBondContact O-N 2.76Å; V336-Y347 HydrophobicContact CB-CD2 4.05Å; V336-Y347 HydrophobicContact CB-CE2 3.83Å; V336-Y347 HydrophobicContact CG2-CD2 3.6Å; V336-Y347 HydrophobicContact CG2-CE2 3.83Å; V336-V354 HydrophobicContact CG2-CG1 4.45Å; V336-V354 HydrophobicContact CG2-CG2 4.36Å
337R97Very high89.7Confident97 Ų9743.7 Ų43.737%0.36623%0.226SC..EExtended strand (participates in β ladder)trans-95.2134.3165.3-171.1-179.5-61.8151.4-0.2109.3G323 T324 V326 T343 E344G323-R337 CarbonylContact C-O 3.52Å; G323-R337 WeakPolarHBondContact CA-O 3.31Å; T324-R337 PolarHBondContact N-O 2.89Å; T324-R337 PolarHBondContact O-N 3.32Å; V326-R337 HydrophobicContact CG1-CB 3.59Å; V326-R337 HydrophobicContact CG2-CB 4.14Å; R337-T343 WeakPolarHBondContact CA-O 3.32Å; R337-E344 HydrophobicContact CB-CG 3.9Å; R337-E344 HydrophobicContact CG-CG 3.95Å; R337-E344 IonicContact CZ-OE1 2.75Å; R337-E344 IonicContact NE-OE1 3.99Å; R337-E344 PolarHBondContact NE-OE1 2.85Å; R337-E344 IonicContact NH2-OE1 3.29Å; R337-E344 PolarHBondContact NH2-OE1 2.62Å
338F97.2Very high89.6Confident0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-77.8120.7172.9-66.1-76000110.5A311 D313 R321 G340 T341 T343 R345A311-F338 HydrophobicContact CB-CE1 3.74Å; A311-F338 HydrophobicContact CB-CZ 4.34Å; D313-F338 HydrophobicContact CB-CE2 3.92Å; D313-F338 HydrophobicContact CB-CZ 3.71Å; R321-F338 HydrophobicContact CB-CD1 3.49Å; R321-F338 VanDerWaalsContact CB-CD1 3.49Å; R321-F338 HydrophobicContact CB-CE1 3.92Å; R321-F338 HydrophobicContact CG-CD1 4.24Å; R321-F338 VanDerWaalsContact NE-CG 3.33Å; F338-G340 PolarHBondContact O-N 3.23Å; F338-T341 PolarHBondContact O-N 2.93Å; F338-T341 VanDerWaalsContact O-O 3.07Å; F338-T341 PolarHBondContact O-OG1 3.16Å; F338-T343 HydrophobicContact CD2-CG2 3.74Å; F338-T343 WeakPolarHBondContact CD2-O 3.36Å; F338-T343 HydrophobicContact CE2-CG2 4.15Å; F338-T343 PolarHBondContact N-O 3.27Å; F338-R345 HydrophobicContact CE2-CB 4.43Å; F338-R345 HydrophobicContact CE2-CG 3.71Å; F338-R345 HydrophobicContact CZ-CG 4.41Å
339D97.4Very high89.5Confident21 Ų2141.2 Ų41.211%0.11221%0.209CC..THydrogen-bonded Turntrans-63.7135.8-169.8-73.30.3000111.2K308 V322 T324 T341 P370 Y382K308-D339 IonicContact NZ-OD1 3.8Å; K308-D339 IonicContact NZ-OD2 3.7Å; K308-D339 PolarHBondContact NZ-OD2 2.83Å; V322-D339 HydrophobicContact CB-CB 4.41Å; V322-D339 HydrophobicContact CG1-CB 4.05Å; V322-D339 WeakPolarHBondContact CG1-OD2 3.39Å; V322-D339 PolarHBondContact O-N 3.41Å; T324-D339 WeakPolarHBondContact CB-OD1 3.28Å; T324-D339 PolarHBondContact N-OD1 3.49Å; T324-D339 VanDerWaalsContact OG1-CG 3.31Å; T324-D339 PolarHBondContact OG1-OD1 3.37Å; T324-D339 PolarHBondContact OG1-OD2 3.44Å; D339-T341 VanDerWaalsContact C-N 3.3Å; D339-P370 HydrophobicContact CB-CB 3.93Å; D339-P370 HydrophobicContact CB-CG 3.88Å; D339-Y382 PolarHBondContact OD2-OH 3.34Å
340G93.6Very high89.8Confident58 Ų5842.1 Ų42.160%0.59822%0.217SC*.THydrogen-bonded Turntrans83.30.5-17300000114.6F338F338-G340 PolarHBondContact O-N 3.23Å
341T93.4Very high90.6Very high57 Ų5736.3 Ų36.335%0.3520%0.199SC..SBendtrans-134.5166.9175810000111.2F338 D339 T343F338-T341 PolarHBondContact O-N 2.93Å; F338-T341 VanDerWaalsContact O-O 3.07Å; F338-T341 PolarHBondContact O-OG1 3.16Å; D339-T341 VanDerWaalsContact C-N 3.3Å; T341-T343 VanDerWaalsContact C-N 3.25Å; T341-T343 WeakPolarHBondContact OG1-CB 3.06Å; T341-T343 PolarHBondContact OG1-N 3.45Å; T341-T343 VanDerWaalsContact OG1-N 3.11Å; T341-T343 PolarHBondContact OG1-OG1 3.33Å
342D91Very high91.6Very high152 Ų15236 Ų3681%0.81320%0.198SC*.  trans-88.79.8170.7-64.1-38.8000112.6E344D342-E344 PolarHBondContact O-N 2.83Å
343T92.8Very high92.4Very high43 Ų4334 Ų3426%0.26419%0.187SC..  trans-77.3117.5-174.3-530000110.3R337 F338 T341R337-T343 WeakPolarHBondContact CA-O 3.32Å; F338-T343 HydrophobicContact CD2-CG2 3.74Å; F338-T343 WeakPolarHBondContact CD2-O 3.36Å; F338-T343 HydrophobicContact CE2-CG2 4.15Å; F338-T343 PolarHBondContact N-O 3.27Å; T341-T343 VanDerWaalsContact C-N 3.25Å; T341-T343 WeakPolarHBondContact OG1-CB 3.06Å; T341-T343 PolarHBondContact OG1-N 3.45Å; T341-T343 VanDerWaalsContact OG1-N 3.11Å; T341-T343 PolarHBondContact OG1-OG1 3.33Å
344E93.5Very high92.9Very high26 Ų2633.1 Ų33.112%0.12119%0.185CC..EExtended strand (participates in β ladder)trans-113.9143.4176.9-70.4-176.1-175.200111.9Y188 V326 I335 V336 R337 D342Y188-E344 WeakPolarHBondContact CE1-O 3.3Å; V326-E344 HydrophobicContact CG2-CG 4.5Å; I335-E344 HydrophobicContact CG2-CB 3.76Å; I335-E344 HydrophobicContact CG2-CG 4.07Å; I335-E344 WeakPolarHBondContact CG2-OE2 3.43Å; V336-E344 CarbonylContact O-C 3.55Å; V336-E344 WeakPolarHBondContact O-CA 3.48Å; R337-E344 HydrophobicContact CB-CG 3.9Å; R337-E344 HydrophobicContact CG-CG 3.95Å; R337-E344 IonicContact CZ-OE1 2.75Å; R337-E344 IonicContact NE-OE1 3.99Å; R337-E344 PolarHBondContact NE-OE1 2.85Å; R337-E344 IonicContact NH2-OE1 3.29Å; R337-E344 PolarHBondContact NH2-OE1 2.62Å; D342-E344 PolarHBondContact O-N 2.83Å
345R94.2Very high93.2Very high22 Ų2232.8 Ų32.88%0.08318%0.184CC..EExtended strand (participates in β ladder)trans-138.7140.8177.1-65.8-66.3-179.4-91-6.2111D313 P314 I335 V336 F338 Y347D313-R345 IonicContact OD1-CZ 2.64Å; D313-R345 IonicContact OD1-NE 3.98Å; D313-R345 PolarHBondContact OD1-NE 2.87Å; D313-R345 IonicContact OD1-NH2 2.74Å; D313-R345 PolarHBondContact OD1-NH2 3.17Å; D313-R345 IonicContact OD2-CZ 3.72Å; D313-R345 IonicContact OD2-NE 3.7Å; D313-R345 PolarHBondContact OD2-NE 3.12Å; D313-R345 IonicContact OD2-NH2 3.27Å; D313-R345 PolarHBondContact OD2-NH2 3.33Å; P314-R345 HydrophobicContact CG-CG 4.47Å; I335-R345 WeakPolarHBondContact CA-O 3.33Å; V336-R345 PolarHBondContact N-O 3.26Å; V336-R345 PolarHBondContact O-N 2.76Å; F338-R345 HydrophobicContact CE2-CB 4.43Å; F338-R345 HydrophobicContact CE2-CG 3.71Å; F338-R345 HydrophobicContact CZ-CG 4.41Å; R345-Y347 HydrophobicContact CB-CD2 4.29Å; R345-Y347 HydrophobicContact CB-CE2 3.41Å; R345-Y347 VanDerWaalsContact CB-CE2 3.41Å; R345-Y347 WeakPolarHBondContact CB-OH 3.45Å; R345-Y347 WeakPolarHBondContact O-CD2 3.47Å
346C92.9Very high93.4Very high10 Ų1032.8 Ų32.87%0.06818%0.184CC..EExtended strand (participates in β ladder)trans-88.4132174.9-170.10000110.6I186 Y188 Y334 I335I186-C346 HydrophobicContact CD1-CB 3.45Å; I186-C346 VanDerWaalsContact CD1-CB 3.45Å; Y188-C346 PolarHBondContact OH-N 3.36Å; Y334-C346 WeakPolarHBondContact O-CA 3.42Å; I335-C346 HydrophobicContact CD1-CB 3.63Å
347Y92.2Very high93.5Very high11 Ų1133.3 Ų33.34%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-134.9149.4175.1-56.9-86000110.6I312 P314 Y333 Y334 V336 R345 L353 V354I312-Y347 PolarHBondContact O-OH 3.01Å; P314-Y347 WeakPolarHBondContact CD-OH 3.27Å; P314-Y347 HydrophobicContact CG-CE1 4.25Å; Y333-Y347 CarbonylContact C-O 3.51Å; Y333-Y347 VanDerWaalsContact CA-O 3.31Å; Y333-Y347 WeakPolarHBondContact CA-O 3.4Å; Y334-Y347 PolarHBondContact N-O 3.29Å; Y334-Y347 PolarHBondContact O-N 3.27Å; V336-Y347 HydrophobicContact CB-CD2 4.05Å; V336-Y347 HydrophobicContact CB-CE2 3.83Å; V336-Y347 HydrophobicContact CG2-CD2 3.6Å; V336-Y347 HydrophobicContact CG2-CE2 3.83Å; R345-Y347 HydrophobicContact CB-CD2 4.29Å; R345-Y347 HydrophobicContact CB-CE2 3.41Å; R345-Y347 VanDerWaalsContact CB-CE2 3.41Å; R345-Y347 WeakPolarHBondContact CB-OH 3.45Å; R345-Y347 WeakPolarHBondContact O-CD2 3.47Å; Y347-L353 HydrophobicContact CD1-CB 4.21Å; Y347-L353 HydrophobicContact CE1-CB 3.82Å; Y347-L353 HydrophobicContact CE1-CD1 4.33Å; Y347-V354 HydrophobicContact CD1-CG2 3.79Å; Y347-V354 HydrophobicContact CD2-CG2 3.69Å; Y347-V354 HydrophobicContact CE1-CG2 4.34Å; Y347-V354 HydrophobicContact CE2-CG2 4.25Å; Y347-V354 HydrophobicContact CG-CG2 3.41Å; Y347-V354 VanDerWaalsContact CG-CG2 3.41Å
348H87.5Confident93.5Very high23 Ų2329.5 Ų29.511%0.10618%0.179CC..EExtended strand (participates in β ladder)trans-87.5151.9163.9-176.7-113.1000110.2N331 D332 Y333 S350 S351N331-H348 PolarHBondContact O-CD2 2.94Å; D332-H348 CarbonylContact O-C 3.57Å; D332-H348 WeakPolarHBondContact O-CA 3.02Å; D332-H348 PolarHBondContact O-CD2 3.33Å; Y333-H348 HydrophobicContact CD1-CB 4.04Å; Y333-H348 HydrophobicContact CE1-CB 3.8Å; Y333-H348 AromaticContact CE2-CD2 3.87Å; H348-S350 PolarHBondContact ND1-N 3.02Å; H348-S350 PolarHBondContact ND1-OG 3.12Å; H348-S350 PolarHBondContact O-N 3.36Å; H348-S351 WeakPolarHBondContact O-CB 3.23Å; H348-S351 PolarHBondContact O-N 2.83Å
349Y85.2Confident93.5Very high64 Ų6430.8 Ų30.825%0.25119%0.185SC..THydrogen-bonded Turntrans-55.2-28-178.482.8-76.6000113.8D332 S351 K397D332-Y349 HydrophobicContact CB-CD1 3.35Å; D332-Y349 HydrophobicContact CB-CE1 4.12Å; D332-Y349 HydrophobicContact CB-CG 3.98Å; D332-Y349 PolarHBondContact O-N 2.93Å; Y349-S351 PolarHBondContact O-N 3.3Å; Y349-K397 HydrophobicContact CE2-CD 4.38Å; Y349-K397 PolarHBondContact OH-NZ 3.39Å; Y349-K397 VanDerWaalsContact OH-NZ 3.13Å
350S85.5Confident93.5Very high39 Ų3929.8 Ų29.827%0.27318%0.179SC..THydrogen-bonded Turntrans-80.1-4.1-178.972.30000113.7H348 A352 R433H348-S350 PolarHBondContact ND1-N 3.02Å; H348-S350 PolarHBondContact ND1-OG 3.12Å; H348-S350 PolarHBondContact O-N 3.36Å; S350-A352 PolarHBondContact O-N 3.04Å; S350-R433 PolarHBondContact O-NH1 2.96Å
351S91.5Very high93.7Very high25 Ų2534.7 Ų34.718%0.17519%0.187CC..  trans-62.6130.3180179.70000111H348 Y349 L353H348-S351 WeakPolarHBondContact O-CB 3.23Å; H348-S351 PolarHBondContact O-N 2.83Å; Y349-S351 PolarHBondContact O-N 3.3Å; S351-L353 PolarHBondContact O-N 2.97Å; S351-L353 WeakPolarHBondContact OG-CB 3.32Å; S351-L353 PolarHBondContact OG-N 3.1Å; S351-L353 VanDerWaalsContact OG-N 3.08Å
352A93.3Very high93.8Very high4 Ų436.5 Ų36.53%0.03321%0.207CC..THydrogen-bonded Turntrans-70.6-11.3169.500000113.5S350 V354 L355 R433 D451S350-A352 PolarHBondContact O-N 3.04Å; A352-V354 VanDerWaalsContact C-N 3.33Å; A352-L355 WeakPolarHBondContact O-CD2 3.27Å; A352-R433 HydrophobicContact CB-CG 3.73Å; A352-D451 HydrophobicContact CB-CB 3.72Å; A352-D451 VanDerWaalsContact CB-CG 3.48Å
353L96.2Very high94Very high20 Ų2030.8 Ų30.811%0.10518%0.181CC..THydrogen-bonded Turntrans-87-3.1-176.1-54.6-176.2000113.2A311 I312 P314 Y347 S351 L434A311-L353 CarbonylContact C-O 3.55Å; A311-L353 VanDerWaalsContact CA-O 3.26Å; A311-L353 WeakPolarHBondContact CA-O 3.38Å; I312-L353 HydrophobicContact CB-CB 4.23Å; I312-L353 HydrophobicContact CB-CD2 4.17Å; I312-L353 HydrophobicContact CD1-CD2 4.13Å; I312-L353 HydrophobicContact CG2-CD2 4.21Å; I312-L353 PolarHBondContact N-O 3.06Å; P314-L353 HydrophobicContact CB-CD1 3.94Å; Y347-L353 HydrophobicContact CD1-CB 4.21Å; Y347-L353 HydrophobicContact CE1-CB 3.82Å; Y347-L353 HydrophobicContact CE1-CD1 4.33Å; S351-L353 PolarHBondContact O-N 2.97Å; S351-L353 WeakPolarHBondContact OG-CB 3.32Å; S351-L353 PolarHBondContact OG-N 3.1Å; S351-L353 VanDerWaalsContact OG-N 3.08Å; L353-L434 HydrophobicContact CD2-CD1 4.3Å
354V96.9Very high94.2Very high11 Ų1132 Ų327%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-113.6127.1170.1-167.10000107.4F303 V309 V336 Y347 A352 F396F303-V354 HydrophobicContact CZ-CG1 4.44Å; V309-V354 HydrophobicContact CB-CG1 3.98Å; V309-V354 HydrophobicContact CG1-CG1 4.1Å; V309-V354 HydrophobicContact CG2-CG1 3.95Å; V336-V354 HydrophobicContact CG2-CG1 4.45Å; V336-V354 HydrophobicContact CG2-CG2 4.36Å; Y347-V354 HydrophobicContact CD1-CG2 3.79Å; Y347-V354 HydrophobicContact CD2-CG2 3.69Å; Y347-V354 HydrophobicContact CE1-CG2 4.34Å; Y347-V354 HydrophobicContact CE2-CG2 4.25Å; Y347-V354 HydrophobicContact CG-CG2 3.41Å; Y347-V354 VanDerWaalsContact CG-CG2 3.41Å; A352-V354 VanDerWaalsContact C-N 3.33Å; V354-F396 HydrophobicContact CG1-CE1 4.11Å; V354-F396 WeakPolarHBondContact O-CD1 3.44Å
355L97.4Very high94.3Very high4 Ų431.7 Ų31.72%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-129.8150.5-164.6-62.4164.7000109.8E310 I312 I320 A352 F359 F396 L398 L434E310-L355 HydrophobicContact CB-CB 3.81Å; E310-L355 PolarHBondContact N-O 3.39Å; E310-L355 PolarHBondContact O-N 3.39Å; I312-L355 HydrophobicContact CD1-CD1 4.14Å; I320-L355 HydrophobicContact CD1-CD1 3.9Å; I320-L355 HydrophobicContact CG2-CD1 4.04Å; A352-L355 WeakPolarHBondContact O-CD2 3.27Å; L355-F359 HydrophobicContact CB-CB 4.13Å; L355-F359 HydrophobicContact CB-CD1 4.31Å; L355-F359 HydrophobicContact CB-CG 4.15Å; L355-F359 HydrophobicContact CD1-CD1 3.72Å; L355-F359 HydrophobicContact CD1-CE1 3.9Å; L355-F359 HydrophobicContact CD1-CG 4.38Å; L355-F359 HydrophobicContact CD2-CD1 4.07Å; L355-F359 HydrophobicContact CD2-CD2 4.14Å; L355-F359 HydrophobicContact CD2-CE1 3.98Å; L355-F359 HydrophobicContact CD2-CE2 4.06Å; L355-F359 HydrophobicContact CD2-CG 4.14Å; L355-F359 HydrophobicContact CD2-CZ 3.97Å; L355-F359 HydrophobicContact CG-CD1 4.25Å; L355-F359 HydrophobicContact CG-CE1 4.5Å; L355-F359 HydrophobicContact CG-CG 4.45Å; L355-F396 WeakPolarHBondContact O-CE1 3.42Å; L355-L398 HydrophobicContact CD2-CD2 4.31Å; L355-L434 HydrophobicContact CD1-CD2 4.23Å
356P97.1Very high94.3Very high1 Ų136.7 Ų36.71%0.00623%0.234CC..  trans-68.7149.4177.327.3-32.3000111.2G358 F359 H393 F396 L398P356-G358 PolarHBondContact O-N 3.5Å; P356-F359 HydrophobicContact CG-CB 4.14Å; P356-F359 WeakPolarHBondContact O-CB 3.43Å; P356-F359 PolarHBondContact O-N 3.06Å; P356-H393 WeakPolarHBondContact CB-NE2 3.37Å; P356-F396 VanDerWaalsContact CA-CZ 3.47Å; P356-F396 HydrophobicContact CB-CD2 3.8Å; P356-F396 HydrophobicContact CB-CE2 3.62Å; P356-F396 HydrophobicContact CB-CG 4.32Å; P356-F396 HydrophobicContact CB-CZ 3.99Å; P356-F396 HydrophobicContact CG-CD2 4.27Å; P356-F396 HydrophobicContact CG-CE2 4.5Å; P356-F396 HydrophobicContact CG-CG 4.37Å; P356-L398 HydrophobicContact CG-CD1 4.17Å
357A97.9Very high94.5Very high12 Ų1237.6 Ų37.610%0.09924%0.238CC..THydrogen-bonded Turntrans-55.7123.4170.500000110.7W379 A390 H393A357-W379 HydrophobicContact CB-CD2 3.56Å; A357-W379 HydrophobicContact CB-CE3 3.71Å; A357-W379 HydrophobicContact CB-CG 4.19Å; A357-W379 HydrophobicContact CB-CH2 3.82Å; A357-W379 HydrophobicContact CB-CZ2 3.72Å; A357-W379 HydrophobicContact CB-CZ3 3.83Å; A357-A390 HydrophobicContact CB-CB 3.65Å; A357-H393 PolarHBondContact O-CE1 2.7Å
358G97.3Very high94.8Very high17 Ų1739.1 Ų39.118%0.17525%0.248CC..THydrogen-bonded Turntrans99.2-3.1-178.600000113.6E310 P356 S360 E361 A362 W379E310-G358 WeakPolarHBondContact OE1-CA 3.37Å; E310-G358 PolarHBondContact OE1-N 3.29Å; P356-G358 PolarHBondContact O-N 3.5Å; G358-S360 PolarHBondContact O-N 2.93Å; G358-E361 PolarHBondContact O-N 2.75Å; G358-A362 WeakPolarHBondContact O-CB 3.42Å; G358-A362 PolarHBondContact O-N 2.87Å; G358-A362 VanDerWaalsContact O-N 3.07Å; G358-W379 VanDerWaalsContact N-CD1 3.32Å
359F97.6Very high95.2Very high27 Ų2739.8 Ų39.812%0.11826%0.255CS..Hα-helixtrans-57.6-50.1177.6177-89.9000111.8E310 I320 L355 P356 E361 A362 A363 I365 L398 C431 L434E310-F359 PolarHBondContact OE1-N 3.19Å; I320-F359 HydrophobicContact CD1-CD1 4.49Å; I320-F359 HydrophobicContact CD1-CE1 4.44Å; L355-F359 HydrophobicContact CB-CB 4.13Å; L355-F359 HydrophobicContact CB-CD1 4.31Å; L355-F359 HydrophobicContact CB-CG 4.15Å; L355-F359 HydrophobicContact CD1-CD1 3.72Å; L355-F359 HydrophobicContact CD1-CE1 3.9Å; L355-F359 HydrophobicContact CD1-CG 4.38Å; L355-F359 HydrophobicContact CD2-CD1 4.07Å; L355-F359 HydrophobicContact CD2-CD2 4.14Å; L355-F359 HydrophobicContact CD2-CE1 3.98Å; L355-F359 HydrophobicContact CD2-CE2 4.06Å; L355-F359 HydrophobicContact CD2-CG 4.14Å; L355-F359 HydrophobicContact CD2-CZ 3.97Å; L355-F359 HydrophobicContact CG-CD1 4.25Å; L355-F359 HydrophobicContact CG-CE1 4.5Å; L355-F359 HydrophobicContact CG-CG 4.45Å; P356-F359 HydrophobicContact CG-CB 4.14Å; P356-F359 WeakPolarHBondContact O-CB 3.43Å; P356-F359 PolarHBondContact O-N 3.06Å; F359-E361 VanDerWaalsContact C-N 3.34Å; F359-E361 PolarHBondContact O-N 3.15Å; F359-A362 PolarHBondContact O-N 2.98Å; F359-A363 HydrophobicContact CE1-CB 4.38Å; F359-A363 WeakPolarHBondContact O-CB 3.48Å; F359-A363 PolarHBondContact O-N 2.69Å; F359-I365 HydrophobicContact CE1-CD1 4.05Å; F359-L398 HydrophobicContact CE2-CD2 4.43Å; F359-C431 HydrophobicContact CE1-CB 4.33Å; F359-C431 HydrophobicContact CZ-CB 3.76Å; F359-L434 HydrophobicContact CE1-CD2 4.1Å; F359-L434 HydrophobicContact CZ-CD2 4.42Å
360S97.5Very high95.7Very high0 Ų036.9 Ų36.90%024%0.244CC..Hα-helixtrans-60.7-43.8-177.6-65.70000111.9E310 I320 G358 A363 G364 I365E310-S360 WeakPolarHBondContact OE2-CB 3.28Å; E310-S360 PolarHBondContact OE2-N 3.02Å; E310-S360 PolarHBondContact OE2-OG 2.74Å; I320-S360 WeakPolarHBondContact CG2-OG 3.31Å; G358-S360 PolarHBondContact O-N 2.93Å; S360-A363 CarbonylContact O-C 3.54Å; S360-A363 PolarHBondContact O-N 2.51Å; S360-G364 PolarHBondContact O-N 2.88Å; S360-I365 CarbonylContact C-O 3.57Å; S360-I365 PolarHBondContact O-N 3.05Å
361E96.6Very high96Very high161 Ų16138 Ų3875%0.75226%0.256SS*.Hα-helixtrans-60.2-48.6176.8-178.4178.2-154.300111.3G358 F359 A363 G364G358-E361 PolarHBondContact O-N 2.75Å; F359-E361 VanDerWaalsContact C-N 3.34Å; F359-E361 PolarHBondContact O-N 3.15Å; E361-A363 VanDerWaalsContact C-N 3.26Å; E361-A363 PolarHBondContact O-N 2.84Å; E361-G364 PolarHBondContact O-N 3.07Å
362A96.3Very high95.9Very high94 Ų9439.9 Ų39.978%0.77728%0.278SS*.Hα-helixtrans-63-32.7179.200000112.9G358 F359G358-A362 WeakPolarHBondContact O-CB 3.42Å; G358-A362 PolarHBondContact O-N 2.87Å; G358-A362 VanDerWaalsContact O-N 3.07Å; F359-A362 PolarHBondContact O-N 2.98Å
363A95.4Very high95.8Very high32 Ų3243.2 Ų43.226%0.26429%0.292SS..THydrogen-bonded Turntrans-88.5-2179.700000114.1F359 S360 E361 I365 Q429 C431F359-A363 HydrophobicContact CE1-CB 4.38Å; F359-A363 WeakPolarHBondContact O-CB 3.48Å; F359-A363 PolarHBondContact O-N 2.69Å; S360-A363 CarbonylContact O-C 3.54Å; S360-A363 PolarHBondContact O-N 2.51Å; E361-A363 VanDerWaalsContact C-N 3.26Å; E361-A363 PolarHBondContact O-N 2.84Å; A363-I365 VanDerWaalsContact C-N 3.27Å; A363-I365 HydrophobicContact CB-CD1 3.67Å; A363-I365 HydrophobicContact CB-CG1 3.92Å; A363-I365 PolarHBondContact O-N 2.94Å; A363-Q429 PolarHBondContact O-NE2 2.74Å; A363-C431 HydrophobicContact CB-CB 4.38Å
364G95.5Very high95.6Very high68 Ų6847.9 Ų47.970%0.70131%0.314SS*.THydrogen-bonded Turntrans65.529-174.700000113.5S360 E361S360-G364 PolarHBondContact O-N 2.88Å; E361-G364 PolarHBondContact O-N 3.07Å
365I95.9Very high95.1Very high20 Ų2056.1 Ų56.110%0.10335%0.351CS..  trans-96.6141.5177.2-60.1165.9000109.1I320 F359 S360 A363 L367 W449I320-I365 HydrophobicContact CD1-CD1 3.91Å; I320-I365 HydrophobicContact CD1-CG2 3.79Å; I320-I365 HydrophobicContact CG1-CG2 4.27Å; F359-I365 HydrophobicContact CE1-CD1 4.05Å; S360-I365 CarbonylContact C-O 3.57Å; S360-I365 PolarHBondContact O-N 3.05Å; A363-I365 VanDerWaalsContact C-N 3.27Å; A363-I365 HydrophobicContact CB-CD1 3.67Å; A363-I365 HydrophobicContact CB-CG1 3.92Å; A363-I365 PolarHBondContact O-N 2.94Å; I365-L367 PolarHBondContact O-N 2.79Å; I365-W449 HydrophobicContact CD1-CH2 3.43Å; I365-W449 VanDerWaalsContact CD1-CH2 3.43Å; I365-W449 HydrophobicContact CD1-CZ2 3.86Å; I365-W449 HydrophobicContact CD1-CZ3 4.22Å; I365-W449 HydrophobicContact CG1-CH2 3.92Å; I365-W449 HydrophobicContact CG1-CZ2 4.16Å; I365-W449 HydrophobicContact CG2-CH2 4.42Å; I365-W449 HydrophobicContact CG2-CZ2 3.8Å
366V95.1Very high94.7Very high127 Ų12762.8 Ų62.877%0.7739%0.387SS*.  trans-74.3113.1172.6-178.40000108.9
367L97.4Very high94.7Very high29 Ų2964.8 Ų64.815%0.15240%0.396CS..EExtended strand (participates in β ladder)trans-80.6131.4170.7-179.562.9000109.5E310 I320 V322 I365 P369 F377 W379E310-L367 HydrophobicContact CB-CD1 4.5Å; E310-L367 HydrophobicContact CG-CD1 3.83Å; E310-L367 HydrophobicContact CG-CD2 4.37Å; I320-L367 HydrophobicContact CB-CD1 4.4Å; I320-L367 HydrophobicContact CG2-CD1 3.94Å; V322-L367 HydrophobicContact CG2-CD1 4.18Å; V322-L367 HydrophobicContact CG2-CD2 3.86Å; V322-L367 HydrophobicContact CG2-CG 4.09Å; I365-L367 PolarHBondContact O-N 2.79Å; L367-P369 VanDerWaalsContact O-CD 3.31Å; L367-P369 WeakPolarHBondContact O-CD 3.34Å; L367-F377 HydrophobicContact CD2-CD1 4.13Å; L367-F377 HydrophobicContact CD2-CE1 3.5Å; L367-F377 VanDerWaalsContact CD2-CE1 3.5Å; L367-F377 HydrophobicContact CD2-CZ 4.18Å; L367-W379 HydrophobicContact CD2-CZ2 4.32Å
368T97.2Very high94.6Very high43 Ų4367.4 Ų67.426%0.26441%0.411SS..EExtended strand (participates in β ladder)trans-78.7114.2171.2-64.20000109E319 I320 R321 V322E319-T368 WeakPolarHBondContact OE2-CG2 3.16Å; E319-T368 PolarHBondContact OE2-OG1 2.92Å; I320-T368 WeakPolarHBondContact O-CB 3.4Å; I320-T368 PolarHBondContact O-N 2.7Å; R321-T368 HydrophobicContact CG-CG2 4.07Å; V322-T368 PolarHBondContact N-O 2.65Å
369P96.5Very high94.6Very high37 Ų3767.6 Ų67.624%0.2441%0.406CS..PPolyproline II helixtrans-75.1160.6-177.931.9-35000111.8L367 E374 F377L367-P369 VanDerWaalsContact O-CD 3.31Å; L367-P369 WeakPolarHBondContact O-CD 3.34Å; P369-E374 HydrophobicContact CG-CB 4.39Å; P369-E374 HydrophobicContact CG-CG 4.39Å; P369-F377 HydrophobicContact CB-CB 3.74Å; P369-F377 HydrophobicContact CB-CD2 4.06Å; P369-F377 HydrophobicContact CB-CG 3.92Å
370P95.4Very high94.6Very high3 Ų370.9 Ų70.92%0.01943%0.43CS..PPolyproline II helixtrans-63.7153.6172-17.830.9000112.2V322 D339 G372 F373 F377 Y382V322-P370 HydrophobicContact CB-CG 3.83Å; V322-P370 HydrophobicContact CG1-CG 3.85Å; V322-P370 HydrophobicContact CG2-CG 4.16Å; D339-P370 HydrophobicContact CB-CB 3.93Å; D339-P370 HydrophobicContact CB-CG 3.88Å; P370-G372 PolarHBondContact O-N 2.97Å; P370-F373 HydrophobicContact CB-CD2 4.37Å; P370-F373 PolarHBondContact O-N 3.38Å; P370-F377 HydrophobicContact CG-CE2 4.21Å; P370-Y382 HydrophobicContact CB-CE2 4.28Å; P370-Y382 HydrophobicContact CG-CD2 4.41Å; P370-Y382 HydrophobicContact CG-CE1 4.18Å; P370-Y382 HydrophobicContact CG-CE2 3.72Å
371A91Very high94.5Very high64 Ų6474.5 Ų74.553%0.52946%0.455SS..THydrogen-bonded Turntrans-54.9127.4173.100000111.6E374A371-E374 VanDerWaalsContact CA-OE1 3.29Å; A371-E374 WeakPolarHBondContact CA-OE1 2.96Å
372G89.5Confident94.6Very high63 Ų6367.5 Ų67.565%0.64942%0.422SS*.THydrogen-bonded Turntrans89.51.3-176.900000115.6P370 E374P370-G372 PolarHBondContact O-N 2.97Å; G372-E374 VanDerWaalsContact C-OE2 3.26Å; G372-E374 WeakPolarHBondContact CA-OE2 3.35Å; G372-E374 PolarHBondContact N-OE1 3Å; G372-E374 PolarHBondContact N-OE2 3.4Å
373F92.6Very high94.6Very high75 Ų7564.7 Ų64.733%0.32939%0.394SS..  trans-122.720.5176.8-70.3-94.5000112.6P370 E375 F377 Y382 A385P370-F373 HydrophobicContact CB-CD2 4.37Å; P370-F373 PolarHBondContact O-N 3.38Å; F373-E375 PolarHBondContact O-N 3.27Å; F373-F377 HydrophobicContact CB-CD2 4.19Å; F373-F377 WeakPolarHBondContact O-CB 3.3Å; F373-F377 PolarHBondContact O-N 2.93Å; F373-Y382 AromaticContact CD1-CD2 3.81Å; F373-Y382 HydrophobicContact CD1-CD2 3.81Å; F373-Y382 HydrophobicContact CD1-CE2 4.36Å; F373-Y382 HydrophobicContact CD2-CD2 4.11Å; F373-Y382 AromaticContact CD2-CE2 3.82Å; F373-Y382 HydrophobicContact CD2-CE2 3.82Å; F373-Y382 AromaticContact CE1-CD2 3.77Å; F373-Y382 HydrophobicContact CE1-CD2 3.77Å; F373-Y382 HydrophobicContact CE1-CE2 4.25Å; F373-Y382 HydrophobicContact CE2-CD2 4.08Å; F373-Y382 AromaticContact CE2-CE2 3.7Å; F373-Y382 HydrophobicContact CE2-CE2 3.7Å; F373-Y382 AromaticContact CG-CD2 3.98Å; F373-Y382 HydrophobicContact CG-CD2 3.98Å; F373-Y382 HydrophobicContact CG-CE2 4.15Å; F373-Y382 AromaticContact CZ-CD2 3.91Å; F373-Y382 HydrophobicContact CZ-CD2 3.91Å; F373-Y382 AromaticContact CZ-CE2 3.92Å; F373-Y382 HydrophobicContact CZ-CE2 3.92Å; F373-A385 HydrophobicContact CE1-CB 4.16Å; F373-A385 HydrophobicContact CZ-CB 4.27Å
374E91.3Very high94.7Very high118 Ų11867 Ų6755%0.55141%0.413SS*.SBendtrans-67.9-33.2-166.3-61.684.4172.300114.7P369 A371 G372P369-E374 HydrophobicContact CG-CB 4.39Å; P369-E374 HydrophobicContact CG-CG 4.39Å; A371-E374 VanDerWaalsContact CA-OE1 3.29Å; A371-E374 WeakPolarHBondContact CA-OE1 2.96Å; G372-E374 VanDerWaalsContact C-OE2 3.26Å; G372-E374 WeakPolarHBondContact CA-OE2 3.35Å; G372-E374 PolarHBondContact N-OE1 3Å; G372-E374 PolarHBondContact N-OE2 3.4Å
375E87.3Confident94.7Very high183 Ų18366.9 Ų66.986%0.85541%0.406SS*.SBendtrans-84.4-35.4-171.8-64.1-165.4163.400113.7F373F373-E375 PolarHBondContact O-N 3.27Å
376D88.5Confident94.7Very high145 Ų14568.5 Ų68.578%0.77542%0.416SS*.SBendtrans-135.436.2-170-69.6-42.9000112.9T378D376-T378 PolarHBondContact O-N 3.43Å
377F96.5Very high94.8Very high42 Ų4270 Ų7018%0.18442%0.42CS..  trans-62.4123.7179.5-177.6-91.8000111.7V322 L367 P369 P370 F373 W379 Y382V322-F377 HydrophobicContact CG2-CE1 4.19Å; V322-F377 HydrophobicContact CG2-CE2 3.85Å; V322-F377 HydrophobicContact CG2-CZ 3.53Å; L367-F377 HydrophobicContact CD2-CD1 4.13Å; L367-F377 HydrophobicContact CD2-CE1 3.5Å; L367-F377 VanDerWaalsContact CD2-CE1 3.5Å; L367-F377 HydrophobicContact CD2-CZ 4.18Å; P369-F377 HydrophobicContact CB-CB 3.74Å; P369-F377 HydrophobicContact CB-CD2 4.06Å; P369-F377 HydrophobicContact CB-CG 3.92Å; P370-F377 HydrophobicContact CG-CE2 4.21Å; F373-F377 HydrophobicContact CB-CD2 4.19Å; F373-F377 WeakPolarHBondContact O-CB 3.3Å; F373-F377 PolarHBondContact O-N 2.93Å; F377-W379 HydrophobicContact CE1-CD2 4.25Å; F377-W379 HydrophobicContact CE1-CG 4.27Å; F377-W379 AromaticContact CZ-CD2 3.98Å; F377-W379 HydrophobicContact CZ-CD2 3.98Å; F377-W379 HydrophobicContact CZ-CE3 4.24Å; F377-W379 HydrophobicContact CZ-CG 4.4Å; F377-W379 HydrophobicContact CZ-CZ2 4.32Å; F377-Y382 HydrophobicContact CD2-CD2 4.41Å; F377-Y382 HydrophobicContact CD2-CG 4.3Å; F377-Y382 AromaticContact CE2-CD1 3.83Å; F377-Y382 HydrophobicContact CE2-CD1 3.83Å; F377-Y382 AromaticContact CE2-CD2 3.97Å; F377-Y382 HydrophobicContact CE2-CD2 3.97Å; F377-Y382 AromaticContact CE2-CG 3.52Å; F377-Y382 HydrophobicContact CE2-CG 3.52Å; F377-Y382 HydrophobicContact CZ-CD1 4.3Å; F377-Y382 HydrophobicContact CZ-CG 4.29Å
378T96.6Very high94.7Very high68 Ų6869.8 Ų69.842%0.41742%0.421SS..  trans-139.1144.1163.362.10000108.9D376 S381 Y382D376-T378 PolarHBondContact O-N 3.43Å; T378-S381 PolarHBondContact O-N 2.81Å; T378-S381 VanDerWaalsContact OG1-CB 3.28Å; T378-S381 WeakPolarHBondContact OG1-CB 3.45Å; T378-S381 PolarHBondContact OG1-OG 3.38Å; T378-S381 VanDerWaalsContact OG1-OG 3.11Å; T378-Y382 WeakPolarHBondContact O-CB 3.25Å; T378-Y382 PolarHBondContact O-N 3.27Å
379W97.7Very high94.7Very high20 Ų2074.5 Ų74.58%0.07644%0.442CS..Hα-helixtrans-54.6-46.9178.8-84.4113.1000113.4K308 E310 V322 A357 G358 L367 F377 S381 Y382 L383K308-W379 HydrophobicContact CB-CH2 4.15Å; K308-W379 HydrophobicContact CB-CZ3 3.69Å; K308-W379 HydrophobicContact CG-CZ3 4.37Å; E310-W379 HydrophobicContact CG-CZ2 3.54Å; E310-W379 PolarHBondContact OE1-NE1 3.05Å; V322-W379 HydrophobicContact CG1-CH2 3.8Å; V322-W379 HydrophobicContact CG1-CZ2 4.44Å; V322-W379 HydrophobicContact CG1-CZ3 4.35Å; V322-W379 HydrophobicContact CG2-CH2 4.31Å; V322-W379 HydrophobicContact CG2-CZ2 4.14Å; A357-W379 HydrophobicContact CB-CD2 3.56Å; A357-W379 HydrophobicContact CB-CE3 3.71Å; A357-W379 HydrophobicContact CB-CG 4.19Å; A357-W379 HydrophobicContact CB-CH2 3.82Å; A357-W379 HydrophobicContact CB-CZ2 3.72Å; A357-W379 HydrophobicContact CB-CZ3 3.83Å; G358-W379 VanDerWaalsContact N-CD1 3.32Å; L367-W379 HydrophobicContact CD2-CZ2 4.32Å; F377-W379 HydrophobicContact CE1-CD2 4.25Å; F377-W379 HydrophobicContact CE1-CG 4.27Å; F377-W379 AromaticContact CZ-CD2 3.98Å; F377-W379 HydrophobicContact CZ-CD2 3.98Å; F377-W379 HydrophobicContact CZ-CE3 4.24Å; F377-W379 HydrophobicContact CZ-CG 4.4Å; F377-W379 HydrophobicContact CZ-CZ2 4.32Å; W379-S381 PolarHBondContact O-N 3.28Å; W379-Y382 HydrophobicContact CE3-CD1 4.5Å; W379-Y382 HydrophobicContact CZ3-CD1 4.23Å; W379-Y382 PolarHBondContact O-N 3.48Å; W379-L383 HydrophobicContact CE3-CD1 4.49Å; W379-L383 HydrophobicContact CE3-CD2 4.31Å; W379-L383 HydrophobicContact CE3-CG 4.17Å; W379-L383 HydrophobicContact CZ3-CD2 4.39Å; W379-L383 WeakPolarHBondContact O-CB 3.42Å; W379-L383 WeakPolarHBondContact O-CG 3.37Å; W379-L383 PolarHBondContact O-N 3.04Å
380P97.1Very high94.7Very high97 Ų9774.4 Ų74.463%0.6344%0.444SS*.Hα-helixtrans-59.7-45.7178.1-26.236.1000113.8A384P380-A384 WeakPolarHBondContact O-CB 3.21Å; P380-A384 PolarHBondContact O-N 3.26Å; P380-A384 VanDerWaalsContact O-N 3.13Å
381S95.8Very high94.7Very high75 Ų7574.4 Ų74.452%0.52445%0.445SS..Hα-helixtrans-68-39.8179.6-64.50000111.7T378 W379 A384 A385T378-S381 PolarHBondContact O-N 2.81Å; T378-S381 VanDerWaalsContact OG1-CB 3.28Å; T378-S381 WeakPolarHBondContact OG1-CB 3.45Å; T378-S381 PolarHBondContact OG1-OG 3.38Å; T378-S381 VanDerWaalsContact OG1-OG 3.11Å; W379-S381 PolarHBondContact O-N 3.28Å; S381-A384 PolarHBondContact O-N 3.04Å; S381-A385 VanDerWaalsContact O-CB 3.28Å; S381-A385 WeakPolarHBondContact O-CB 3.45Å; S381-A385 PolarHBondContact O-N 2.98Å
382Y97.6Very high94.8Very high14 Ų1474.4 Ų74.46%0.05544%0.436CS..Hα-helixtrans-65.4-48.7178.7-172.2-114.7000111.7K308 V322 D339 P370 F373 F377 T378 W379 A384 A385 T386K308-Y382 HydrophobicContact CD-CE1 4.2Å; K308-Y382 PolarHBondContact NZ-OH 2.91Å; V322-Y382 HydrophobicContact CG1-CD1 4.32Å; V322-Y382 HydrophobicContact CG1-CE1 3.75Å; D339-Y382 PolarHBondContact OD2-OH 3.34Å; P370-Y382 HydrophobicContact CB-CE2 4.28Å; P370-Y382 HydrophobicContact CG-CD2 4.41Å; P370-Y382 HydrophobicContact CG-CE1 4.18Å; P370-Y382 HydrophobicContact CG-CE2 3.72Å; F373-Y382 AromaticContact CD1-CD2 3.81Å; F373-Y382 HydrophobicContact CD1-CD2 3.81Å; F373-Y382 HydrophobicContact CD1-CE2 4.36Å; F373-Y382 HydrophobicContact CD2-CD2 4.11Å; F373-Y382 AromaticContact CD2-CE2 3.82Å; F373-Y382 HydrophobicContact CD2-CE2 3.82Å; F373-Y382 AromaticContact CE1-CD2 3.77Å; F373-Y382 HydrophobicContact CE1-CD2 3.77Å; F373-Y382 HydrophobicContact CE1-CE2 4.25Å; F373-Y382 HydrophobicContact CE2-CD2 4.08Å; F373-Y382 AromaticContact CE2-CE2 3.7Å; F373-Y382 HydrophobicContact CE2-CE2 3.7Å; F373-Y382 AromaticContact CG-CD2 3.98Å; F373-Y382 HydrophobicContact CG-CD2 3.98Å; F373-Y382 HydrophobicContact CG-CE2 4.15Å; F373-Y382 AromaticContact CZ-CD2 3.91Å; F373-Y382 HydrophobicContact CZ-CD2 3.91Å; F373-Y382 AromaticContact CZ-CE2 3.92Å; F373-Y382 HydrophobicContact CZ-CE2 3.92Å; F377-Y382 HydrophobicContact CD2-CD2 4.41Å; F377-Y382 HydrophobicContact CD2-CG 4.3Å; F377-Y382 AromaticContact CE2-CD1 3.83Å; F377-Y382 HydrophobicContact CE2-CD1 3.83Å; F377-Y382 AromaticContact CE2-CD2 3.97Å; F377-Y382 HydrophobicContact CE2-CD2 3.97Å; F377-Y382 AromaticContact CE2-CG 3.52Å; F377-Y382 HydrophobicContact CE2-CG 3.52Å; F377-Y382 HydrophobicContact CZ-CD1 4.3Å; F377-Y382 HydrophobicContact CZ-CG 4.29Å; T378-Y382 WeakPolarHBondContact O-CB 3.25Å; T378-Y382 PolarHBondContact O-N 3.27Å; W379-Y382 HydrophobicContact CE3-CD1 4.5Å; W379-Y382 HydrophobicContact CZ3-CD1 4.23Å; W379-Y382 PolarHBondContact O-N 3.48Å; Y382-A384 VanDerWaalsContact C-N 3.29Å; Y382-A384 PolarHBondContact O-N 3.48Å; Y382-A385 PolarHBondContact O-N 2.87Å; Y382-A385 VanDerWaalsContact O-N 3.15Å; Y382-T386 HydrophobicContact CD2-CG2 4.28Å; Y382-T386 HydrophobicContact CE1-CG2 4.42Å; Y382-T386 HydrophobicContact CE2-CG2 3.79Å; Y382-T386 PolarHBondContact O-N 2.91Å; Y382-T386 PolarHBondContact O-OG1 2.94Å; Y382-T386 VanDerWaalsContact O-OG1 3.05Å
383L97.6Very high94.9Very high36 Ų3676.6 Ų76.619%0.18843%0.429CS..Hα-helixtrans-58.8-40.4177.8-69.3172.4000112.2K308 W379 D387 S388 A390K308-L383 HydrophobicContact CB-CD2 3.97Å; K308-L383 HydrophobicContact CG-CD2 3.69Å; W379-L383 HydrophobicContact CE3-CD1 4.49Å; W379-L383 HydrophobicContact CE3-CD2 4.31Å; W379-L383 HydrophobicContact CE3-CG 4.17Å; W379-L383 HydrophobicContact CZ3-CD2 4.39Å; W379-L383 WeakPolarHBondContact O-CB 3.42Å; W379-L383 WeakPolarHBondContact O-CG 3.37Å; W379-L383 PolarHBondContact O-N 3.04Å; L383-D387 PolarHBondContact O-N 2.98Å; L383-D387 VanDerWaalsContact O-N 3.12Å; L383-S388 PolarHBondContact O-N 3Å; L383-A390 HydrophobicContact CD1-CB 4.17Å; L383-A390 HydrophobicContact CD2-CB 4.42Å
384A96.8Very high94.7Very high79 Ų7977.3 Ų77.365%0.65344%0.443SS*.Hα-helixtrans-68.4-41.4175.900000112.4P380 S381 Y382 T386 D387P380-A384 WeakPolarHBondContact O-CB 3.21Å; P380-A384 PolarHBondContact O-N 3.26Å; P380-A384 VanDerWaalsContact O-N 3.13Å; S381-A384 PolarHBondContact O-N 3.04Å; Y382-A384 VanDerWaalsContact C-N 3.29Å; Y382-A384 PolarHBondContact O-N 3.48Å; A384-T386 VanDerWaalsContact C-N 3.31Å; A384-T386 PolarHBondContact O-N 2.84Å; A384-D387 PolarHBondContact O-N 3.44Å
385A95.7Very high94.7Very high67 Ų6772.3 Ų72.355%0.55442%0.42SS*.Hα-helixtrans-66.6-31.9179.400000112.8F373 S381 Y382F373-A385 HydrophobicContact CE1-CB 4.16Å; F373-A385 HydrophobicContact CZ-CB 4.27Å; S381-A385 VanDerWaalsContact O-CB 3.28Å; S381-A385 WeakPolarHBondContact O-CB 3.45Å; S381-A385 PolarHBondContact O-N 2.98Å; Y382-A385 PolarHBondContact O-N 2.87Å; Y382-A385 VanDerWaalsContact O-N 3.15Å
386T95.7Very high94.9Very high53 Ų5364.5 Ų64.533%0.32538%0.383SS..THydrogen-bonded Turntrans-1016.3-179.261.30000114.3Y382 A384 S388Y382-T386 HydrophobicContact CD2-CG2 4.28Å; Y382-T386 HydrophobicContact CE1-CG2 4.42Å; Y382-T386 HydrophobicContact CE2-CG2 3.79Å; Y382-T386 PolarHBondContact O-N 2.91Å; Y382-T386 PolarHBondContact O-OG1 2.94Å; Y382-T386 VanDerWaalsContact O-OG1 3.05Å; A384-T386 VanDerWaalsContact C-N 3.31Å; A384-T386 PolarHBondContact O-N 2.84Å; T386-S388 VanDerWaalsContact C-N 3.27Å; T386-S388 PolarHBondContact O-N 3.42Å; T386-S388 PolarHBondContact OG1-OG 2.87Å
387D96.8Very high94.9Very high159 Ų15962.3 Ų62.385%0.8537%0.366SS*.THydrogen-bonded Turntrans45.750.8-176.4-165.733.1000112.5L383 A384L383-D387 PolarHBondContact O-N 2.98Å; L383-D387 VanDerWaalsContact O-N 3.12Å; A384-D387 PolarHBondContact O-N 3.44Å
388S96.2Very high94.6Very high25 Ų2562.7 Ų62.718%0.17537%0.37CS..  trans-129.8166.6-170.468.40000112.4K308 L383 T386K308-S388 WeakPolarHBondContact CE-OG 3.32Å; K308-S388 WeakPolarHBondContact CG-OG 3.48Å; L383-S388 PolarHBondContact O-N 3Å; T386-S388 VanDerWaalsContact C-N 3.27Å; T386-S388 PolarHBondContact O-N 3.42Å; T386-S388 PolarHBondContact OG1-OG 2.87Å
389M95.9Very high94.3Very high142 Ų14266.4 Ų66.470%0.738%0.383SS*.  trans-118.3140.7179.2-64.2-177.965.700110.6M307 K308M307-M389 CarbonylContact C-O 3.54Å; M307-M389 VanDerWaalsContact CA-O 3.29Å; M307-M389 WeakPolarHBondContact CA-O 3.34Å; K308-M389 PolarHBondContact N-O 2.93Å
390A97.2Very high93.6Very high35 Ų3567.6 Ų67.629%0.28939%0.393SS..BIsolated β-bridgetrans-69.7146.716700000110.7K308 A357 L383K308-A390 WeakPolarHBondContact O-CA 3.47Å; A357-A390 HydrophobicContact CB-CB 3.65Å; L383-A390 HydrophobicContact CD1-CB 4.17Å; L383-A390 HydrophobicContact CD2-CB 4.42Å
391A94.9Very high92.8Very high3 Ų368.5 Ų68.53%0.02539%0.393CS..PPolyproline II helixtrans-61.2146.5169.600000111.1F303 M307 K308 V309 H393 F396F303-A391 HydrophobicContact CD1-CB 3.7Å; F303-A391 HydrophobicContact CE1-CB 3.61Å; M307-A391 HydrophobicContact CB-CB 4.09Å; M307-A391 HydrophobicContact SD-CB 4.03Å; K308-A391 PolarHBondContact O-N 3.45Å; V309-A391 HydrophobicContact CG1-CB 3.8Å; A391-H393 PolarHBondContact O-N 2.96Å; A391-F396 HydrophobicContact CB-CE2 3.93Å; A391-F396 HydrophobicContact CB-CZ 3.81Å
392N92.6Very high91.8Very high64 Ų6468 Ų6834%0.34240%0.4SS..PPolyproline II helixtrans-68.3129.7-178.6-169.8-32.6000111S394 I395 F396N392-S394 PolarHBondContact O-N 3.26Å; N392-S394 VanDerWaalsContact O-N 3.1Å; N392-S394 PolarHBondContact OD1-N 3.06Å; N392-S394 PolarHBondContact OD1-OG 3.5Å; N392-S394 VanDerWaalsContact OD1-OG 3.06Å; N392-I395 HydrophobicContact CB-CD1 3.86Å; N392-I395 HydrophobicContact CB-CG1 4.19Å; N392-I395 WeakPolarHBondContact O-CB 3.34Å; N392-I395 WeakPolarHBondContact O-CG1 3.27Å; N392-I395 PolarHBondContact O-N 2.89Å; N392-I395 VanDerWaalsContact O-N 3.09Å; N392-F396 WeakPolarHBondContact O-CD2 3.24Å; N392-F396 VanDerWaalsContact O-CE2 3.31Å; N392-F396 WeakPolarHBondContact O-CE2 3.26Å
393H91.8Very high90.6Very high109 Ų10968.3 Ų68.351%0.50540%0.402SS..G310 helixtrans-51.8-32.5177.1-86.779.8000113.6P356 A357 A391 I395 F396P356-H393 WeakPolarHBondContact CB-NE2 3.37Å; A357-H393 PolarHBondContact O-CE1 2.7Å; A391-H393 PolarHBondContact O-N 2.96Å; H393-I395 PolarHBondContact O-N 2.99Å; H393-F396 PolarHBondContact O-N 3.2Å
394S89.9Confident89.8Confident89 Ų8974 Ų7462%0.62243%0.428SS*.G310 helixtrans-68.7-11.8-178.262.90000114.8N392N392-S394 PolarHBondContact O-N 3.26Å; N392-S394 VanDerWaalsContact O-N 3.1Å; N392-S394 PolarHBondContact OD1-N 3.06Å; N392-S394 PolarHBondContact OD1-OG 3.5Å; N392-S394 VanDerWaalsContact OD1-OG 3.06Å
395I89.6Confident89.7Confident13 Ų1371.1 Ų71.17%0.06740%0.401CS..G310 helixtrans-79.3-29179.9-57.6164.4000110.8C302 F303 N392 H393C302-I395 VanDerWaalsContact O-CD1 3.25Å; C302-I395 WeakPolarHBondContact O-CD1 3.22Å; F303-I395 HydrophobicContact CD2-CG2 3.74Å; F303-I395 HydrophobicContact CE1-CG2 4.31Å; F303-I395 HydrophobicContact CE2-CG2 3.45Å; F303-I395 VanDerWaalsContact CE2-CG2 3.45Å; F303-I395 HydrophobicContact CG-CG2 4.31Å; F303-I395 HydrophobicContact CZ-CB 4.43Å; F303-I395 HydrophobicContact CZ-CG2 3.76Å; N392-I395 HydrophobicContact CB-CD1 3.86Å; N392-I395 HydrophobicContact CB-CG1 4.19Å; N392-I395 WeakPolarHBondContact O-CB 3.34Å; N392-I395 WeakPolarHBondContact O-CG1 3.27Å; N392-I395 PolarHBondContact O-N 2.89Å; N392-I395 VanDerWaalsContact O-N 3.09Å; H393-I395 PolarHBondContact O-N 2.99Å
396F91.8Very high89.8Confident20 Ų2073.5 Ų73.59%0.08840%0.4CS..  trans-82.2139.5-169.7-60.6-93.2000112.8F303 V309 V354 L355 P356 A391 N392 H393 L398F303-F396 AromaticContact CE1-CE1 3.71Å; F303-F396 HydrophobicContact CE1-CE1 3.71Å; F303-F396 HydrophobicContact CE1-CE2 4.09Å; F303-F396 AromaticContact CE1-CZ 3.47Å; F303-F396 HydrophobicContact CE1-CZ 3.47Å; F303-F396 VanDerWaalsContact CE1-CZ 3.47Å; F303-F396 AromaticContact CZ-CD1 3.96Å; F303-F396 HydrophobicContact CZ-CD1 3.96Å; F303-F396 AromaticContact CZ-CE1 3.54Å; F303-F396 HydrophobicContact CZ-CE1 3.54Å; F303-F396 HydrophobicContact CZ-CE2 4.32Å; F303-F396 AromaticContact CZ-CZ 3.76Å; F303-F396 HydrophobicContact CZ-CZ 3.76Å; V309-F396 HydrophobicContact CG1-CE1 4.47Å; V309-F396 HydrophobicContact CG1-CZ 4.06Å; V354-F396 HydrophobicContact CG1-CE1 4.11Å; V354-F396 WeakPolarHBondContact O-CD1 3.44Å; L355-F396 WeakPolarHBondContact O-CE1 3.42Å; P356-F396 VanDerWaalsContact CA-CZ 3.47Å; P356-F396 HydrophobicContact CB-CD2 3.8Å; P356-F396 HydrophobicContact CB-CE2 3.62Å; P356-F396 HydrophobicContact CB-CG 4.32Å; P356-F396 HydrophobicContact CB-CZ 3.99Å; P356-F396 HydrophobicContact CG-CD2 4.27Å; P356-F396 HydrophobicContact CG-CE2 4.5Å; P356-F396 HydrophobicContact CG-CG 4.37Å; A391-F396 HydrophobicContact CB-CE2 3.93Å; A391-F396 HydrophobicContact CB-CZ 3.81Å; N392-F396 WeakPolarHBondContact O-CD2 3.24Å; N392-F396 VanDerWaalsContact O-CE2 3.31Å; N392-F396 WeakPolarHBondContact O-CE2 3.26Å; H393-F396 PolarHBondContact O-N 3.2Å; F396-L398 HydrophobicContact CB-CD2 3.91Å; F396-L398 HydrophobicContact CB-CG 3.98Å
397K88.9Confident89.9Confident98 Ų9875.6 Ų75.643%0.42641%0.413SS..  trans-95.493.9171-72.8-176.7174.5173.60110.1Y349 R433Y349-K397 HydrophobicContact CE2-CD 4.38Å; Y349-K397 PolarHBondContact OH-NZ 3.39Å; Y349-K397 VanDerWaalsContact OH-NZ 3.13Å; K397-R433 WeakPolarHBondContact O-CD 3.49Å
398L90.5Very high89.9Confident50 Ų5070 Ų7026%0.26239%0.393SS..  trans-97.9-22.3-173.5-58178.9000114.2L355 P356 F359 F396 G432 R433L355-L398 HydrophobicContact CD2-CD2 4.31Å; P356-L398 HydrophobicContact CG-CD1 4.17Å; F359-L398 HydrophobicContact CE2-CD2 4.43Å; F396-L398 HydrophobicContact CB-CD2 3.91Å; F396-L398 HydrophobicContact CB-CG 3.98Å; L398-G432 CarbonylContact O-C 3.48Å; L398-G432 WeakPolarHBondContact O-CA 3.17Å; L398-R433 PolarHBondContact O-N 2.64Å
399E89.6Confident90Very high146 Ų14669.3 Ų69.368%0.68239%0.387SS*.SBendtrans-84.9142.1-177.1-61.8-58.7144.900111.9
400P84.3Confident90.1Very high46 Ų4664.8 Ų64.830%0.29936%0.362SS..  trans-74.6148.4174.630.8-33.4000111.6G402 R433P400-G402 PolarHBondContact O-N 2.79Å; P400-R433 HydrophobicContact CB-CB 4.26Å
401N80.2Confident90.2Very high116 Ų11663.1 Ų63.162%0.6235%0.348SS*.SBendtrans-84.557.6176.2-63.1-38.8000112.1N403 E453N401-N403 VanDerWaalsContact C-N 3.32Å; N401-N403 PolarHBondContact O-N 3.34Å; N401-E453 VanDerWaalsContact CB-OE1 3.22Å; N401-E453 WeakPolarHBondContact CB-OE1 3.47Å; N401-E453 PolarHBondContact ND2-OE1 3.35Å; N401-E453 PolarHBondContact ND2-OE2 3.36Å
402G74.7Confident90.4Very high65 Ų6563 Ų6367%0.6735%0.347SS*.SBendtrans79.94.6175.200000115.8P400 E404P400-G402 PolarHBondContact O-N 2.79Å; G402-E404 PolarHBondContact O-N 2.77Å
403N71.3Confident90.6Very high19 Ų1960 Ų6010%0.10233%0.331CS..  trans-72.5108.2174.2-63.2-18.7000110.3N401 F405 S452 E453N401-N403 VanDerWaalsContact C-N 3.32Å; N401-N403 PolarHBondContact O-N 3.34Å; N403-F405 HydrophobicContact CB-CD2 3.99Å; N403-F405 HydrophobicContact CB-CE2 3.85Å; N403-F405 PolarHBondContact O-N 3.04Å; N403-F405 VanDerWaalsContact O-N 3.16Å; N403-S452 PolarHBondContact ND2-O 2.66Å; N403-E453 WeakPolarHBondContact ND2-CG 3.47Å
404E80.8Confident90.8Very high155 Ų15554.8 Ų54.872%0.72431%0.307SS*.  trans-88.366.7-178.8-64.8-170.5161.300112.6G402G402-E404 PolarHBondContact O-N 2.77Å
405F96.1Very high91Very high20 Ų2050.6 Ų50.69%0.08828%0.278CS..  trans-71.7149.2169.1-72.2-71000111.9A42 A46 F47 N403 I427 I430 L435 S452 I457A42-F405 HydrophobicContact CB-CD1 3.98Å; A42-F405 HydrophobicContact CB-CE1 3.87Å; A46-F405 HydrophobicContact CB-CD1 4.18Å; A46-F405 HydrophobicContact CB-CE1 3.75Å; A46-F405 HydrophobicContact CB-CE2 4.16Å; A46-F405 HydrophobicContact CB-CZ 3.74Å; A46-F405 WeakPolarHBondContact O-CZ 3.16Å; F47-F405 HydrophobicContact CD1-CZ 4.27Å; F47-F405 AromaticContact CE1-CE1 3.98Å; F47-F405 HydrophobicContact CE1-CE1 3.98Å; F47-F405 HydrophobicContact CE1-CZ 4Å; F47-F405 HydrophobicContact CE2-CE1 4.05Å; F47-F405 HydrophobicContact CE2-CZ 4.48Å; F47-F405 AromaticContact CZ-CE1 3.68Å; F47-F405 HydrophobicContact CZ-CE1 3.68Å; F47-F405 HydrophobicContact CZ-CZ 4.14Å; N403-F405 HydrophobicContact CB-CD2 3.99Å; N403-F405 HydrophobicContact CB-CE2 3.85Å; N403-F405 PolarHBondContact O-N 3.04Å; N403-F405 VanDerWaalsContact O-N 3.16Å; F405-I427 HydrophobicContact CB-CD1 3.94Å; F405-I427 HydrophobicContact CD1-CD1 3.38Å; F405-I427 HydrophobicContact CE1-CD1 4.16Å; F405-I427 HydrophobicContact CG-CD1 3.91Å; F405-I430 VanDerWaalsContact C-CD1 3.49Å; F405-I430 HydrophobicContact CB-CD1 3.86Å; F405-I430 VanDerWaalsContact O-CD1 3.26Å; F405-I430 WeakPolarHBondContact O-CD1 3.38Å; F405-L435 HydrophobicContact CB-CD2 4.22Å; F405-L435 HydrophobicContact CD1-CD1 4.46Å; F405-L435 HydrophobicContact CD2-CD1 3.83Å; F405-L435 HydrophobicContact CD2-CD2 4.28Å; F405-L435 HydrophobicContact CE2-CD1 3.97Å; F405-L435 HydrophobicContact CG-CD1 4.09Å; F405-L435 HydrophobicContact CG-CD2 4.39Å; F405-L435 HydrophobicContact CZ-CD1 4.33Å; F405-S452 WeakPolarHBondContact CE2-O 3.32Å; F405-I457 HydrophobicContact CZ-CD1 4.05Å
406Q97Very high91.1Very high117 Ų11752.4 Ų52.455%0.54729%0.289SS..  trans-128.6143.5175-59.6-179.1-100111.1G408 Q409Q406-G408 PolarHBondContact O-N 2.79Å; Q406-Q409 HydrophobicContact CB-CG 4.01Å; Q406-Q409 VanDerWaalsContact O-CB 3.32Å; Q406-Q409 WeakPolarHBondContact O-CB 3.48Å; Q406-Q409 WeakPolarHBondContact O-CG 3.48Å; Q406-Q409 PolarHBondContact O-N 3.23Å; Q406-Q409 VanDerWaalsContact O-N 3.16Å
407V97.5Very high91.1Very high96 Ų9654.1 Ų54.158%0.58230%0.298SS*.THydrogen-bonded Turntrans-59.6134.7172.6176.80000109.4I430V407-I430 HydrophobicContact CG2-CD1 4.16Å; V407-I430 HydrophobicContact CG2-CG1 3.97Å
408G97.4Very high91.2Very high42 Ų4253.6 Ų53.643%0.43329%0.293SS..THydrogen-bonded Turntrans92.2-8.8-176.200000114.5Q406 I427Q406-G408 PolarHBondContact O-N 2.79Å; G408-I427 PolarHBondContact N-O 2.79Å
409Q98.3Very high91.1Very high11 Ų1155.3 Ų55.35%0.05130%0.303CS..  trans-69.5139.9177-77.5177.8-23.600112.3S40 A42 Q406 S426 I427S40-Q409 CarbonylContact O-C 3.54Å; S40-Q409 VanDerWaalsContact O-CA 3.24Å; S40-Q409 WeakPolarHBondContact O-CA 3.39Å; A42-Q409 HydrophobicContact CB-CB 4.15Å; Q406-Q409 HydrophobicContact CB-CG 4.01Å; Q406-Q409 VanDerWaalsContact O-CB 3.32Å; Q406-Q409 WeakPolarHBondContact O-CB 3.48Å; Q406-Q409 WeakPolarHBondContact O-CG 3.48Å; Q406-Q409 PolarHBondContact O-N 3.23Å; Q406-Q409 VanDerWaalsContact O-N 3.16Å; Q409-S426 VanDerWaalsContact O-CA 3.27Å; Q409-S426 WeakPolarHBondContact O-CA 3.5Å; Q409-I427 HydrophobicContact CB-CD1 4.31Å; Q409-I427 PolarHBondContact O-N 2.78Å
410W98.5Very high91.2Very high46 Ų4648.8 Ų48.817%0.17427%0.274CS..EExtended strand (participates in β ladder)trans-90.3145.3176.1-67.985.5000112W30 K33 F39 S40 A41 A42 A425 D440 V460W30-W410 HydrophobicContact CH2-CB 4.16Å; W30-W410 AromaticContact CH2-CE3 3.9Å; W30-W410 HydrophobicContact CH2-CE3 3.9Å; W30-W410 HydrophobicContact CZ3-CB 4.21Å; W30-W410 HydrophobicContact CZ3-CD2 4.27Å; W30-W410 AromaticContact CZ3-CE3 3.92Å; W30-W410 HydrophobicContact CZ3-CE3 3.92Å; W30-W410 HydrophobicContact CZ3-CG 4.41Å; K33-W410 HydrophobicContact CD-CZ3 4.44Å; K33-W410 VanDerWaalsContact NZ-CZ3 3.29Å; F39-W410 AromaticContact CD2-CD1 3.63Å; F39-W410 HydrophobicContact CD2-CG 4.03Å; F39-W410 AromaticContact CD2-NE1 3.89Å; F39-W410 HydrophobicContact CE2-CB 3.8Å; F39-W410 AromaticContact CE2-CD1 3.55Å; F39-W410 HydrophobicContact CE2-CD2 4.02Å; F39-W410 AromaticContact CE2-CG 3.47Å; F39-W410 HydrophobicContact CE2-CG 3.47Å; F39-W410 VanDerWaalsContact CE2-CG 3.47Å; F39-W410 HydrophobicContact CZ-CB 3.78Å; F39-W410 AromaticContact CZ-CG 3.98Å; F39-W410 HydrophobicContact CZ-CG 3.98Å; S40-W410 PolarHBondContact O-N 3.41Å; A41-W410 CarbonylContact C-O 3.57Å; A41-W410 VanDerWaalsContact CA-O 3.28Å; A41-W410 WeakPolarHBondContact CA-O 3.2Å; A42-W410 PolarHBondContact N-O 3.05Å; W410-A425 WeakPolarHBondContact CA-O 3.37Å; W410-A425 VanDerWaalsContact CE3-O 3.3Å; W410-D440 WeakPolarHBondContact CH2-OD1 3.24Å; W410-D440 HydrophobicContact CZ3-CB 4.03Å; W410-V460 HydrophobicContact CB-CG2 4.2Å
411L98.7Very high91.6Very high0 Ų049.8 Ų49.80%028%0.275CS..EExtended strand (participates in β ladder)trans-155.7-179.9178.657.179.5000110.2F47 A413 A425 I427 I437 Y458F47-L411 HydrophobicContact CE1-CD2 4.48Å; F47-L411 HydrophobicContact CZ-CB 3.97Å; F47-L411 HydrophobicContact CZ-CD2 4.25Å; L411-A413 HydrophobicContact CD1-CB 3.66Å; L411-A425 HydrophobicContact CD1-CB 3.99Å; L411-A425 PolarHBondContact N-O 3.25Å; L411-A425 PolarHBondContact O-N 2.8Å; L411-A425 VanDerWaalsContact O-O 3.12Å; L411-I427 HydrophobicContact CD2-CD1 3.73Å; L411-I427 HydrophobicContact CD2-CG1 3.71Å; L411-I437 HydrophobicContact CD1-CD1 4.18Å; L411-I437 HydrophobicContact CD1-CG2 4.08Å; L411-I437 HydrophobicContact CD2-CD1 3.97Å; L411-Y458 WeakPolarHBondContact CB-O 3.21Å
412E98.3Very high92.4Very high1 Ų144.4 Ų44.41%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-108.8125.9171.3-64.7173-172.900108.2W30 I422 F423 I457 Y458 G461 W462 C463 L470W30-E412 HydrophobicContact CZ2-CG 3.93Å; W30-E412 PolarHBondContact NE1-OE1 2.99Å; E412-I422 HydrophobicContact CB-CG2 3.78Å; E412-F423 WeakPolarHBondContact CA-O 3.46Å; E412-I457 CarbonylContact O-C 3.58Å; E412-I457 WeakPolarHBondContact O-CA 3.47Å; E412-Y458 PolarHBondContact N-O 3.31Å; E412-Y458 PolarHBondContact O-N 3.19Å; E412-G461 PolarHBondContact OE1-N 3.35Å; E412-W462 PolarHBondContact OE2-N 3.17Å; E412-C463 VanDerWaalsContact OE2-CB 3.3Å; E412-C463 WeakPolarHBondContact OE2-CB 3.49Å; E412-C463 PolarHBondContact OE2-N 3.35Å; E412-C463 PolarHBondContact OE2-SG 2.84Å; E412-C463 VanDerWaalsContact OE2-SG 3.37Å; E412-L470 HydrophobicContact CB-CD1 4.26Å; E412-L470 HydrophobicContact CG-CD1 3.88Å; E412-L470 HydrophobicContact CG-CD2 4.13Å
413A98Very high93.4Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-128.3140.8-17500000112.3L411 I422 F423 A425 I437 F439 F450 I457L411-A413 HydrophobicContact CD1-CB 3.66Å; A413-I422 WeakPolarHBondContact O-CA 3.27Å; A413-F423 PolarHBondContact N-O 3.36Å; A413-F423 PolarHBondContact O-N 3.01Å; A413-A425 HydrophobicContact CB-CB 3.84Å; A413-I437 HydrophobicContact CB-CG2 3.93Å; A413-F439 HydrophobicContact CB-CE1 3.9Å; A413-F450 HydrophobicContact CB-CE2 4.38Å; A413-F450 HydrophobicContact CB-CZ 4.2Å; A413-I457 HydrophobicContact CB-CG2 4.2Å
414T96.2Very high94.7Very high1 Ų140.5 Ų40.51%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-75130.1175.6-550000110.9R207 E421 F450 D456R207-T414 PolarHBondContact NH1-OG1 3.08Å; T414-E421 CarbonylContact C-O 3.44Å; T414-E421 WeakPolarHBondContact CA-O 3.39Å; T414-F450 WeakPolarHBondContact O-CZ 3.32Å; T414-D456 WeakPolarHBondContact CB-O 3.33Å; T414-D456 PolarHBondContact N-O 2.8Å; T414-D456 PolarHBondContact OG1-O 2.86Å; T414-D456 PolarHBondContact OG1-OD1 3.04Å
415N94.1Very high95.5Very high1 Ų133.1 Ų33.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-97.497.2170.7-172.1-30.5000109.8M417 R418 G420 E421 F423 F439 H448N415-M417 PolarHBondContact O-N 2.93Å; N415-M417 WeakPolarHBondContact OD1-CA 3.41Å; N415-M417 WeakPolarHBondContact OD1-CB 3.28Å; N415-M417 PolarHBondContact OD1-N 2.82Å; N415-R418 HydrophobicContact CB-CB 4.01Å; N415-R418 HydrophobicContact CB-CG 4.47Å; N415-R418 CarbonylContact O-C 3.54Å; N415-R418 WeakPolarHBondContact O-CA 3.45Å; N415-R418 PolarHBondContact O-N 2.85Å; N415-R418 PolarHBondContact OD1-N 3.48Å; N415-G420 WeakPolarHBondContact O-CA 3.47Å; N415-G420 PolarHBondContact O-N 3.5Å; N415-G420 VanDerWaalsContact O-N 3.1Å; N415-E421 PolarHBondContact N-O 3.47Å; N415-F423 HydrophobicContact CB-CD2 3.81Å; N415-F423 HydrophobicContact CB-CE2 3.93Å; N415-F439 HydrophobicContact CB-CE1 3.99Å; N415-F439 HydrophobicContact CB-CE2 4.25Å; N415-F439 HydrophobicContact CB-CZ 3.7Å; N415-H448 PolarHBondContact OD1-CE1 3.33Å; N415-H448 VanDerWaalsContact OD1-CE1 3.23Å
416V91.6Very high95.6Very high50 Ų5033 Ų3330%0.30318%0.178SC..G310 helixtrans-59.3-32.6177.8-62.20000112.8P317 R418P317-V416 VanDerWaalsContact CD-CG2 3.43Å; P317-V416 HydrophobicContact CG-CG2 3.71Å; V416-R418 PolarHBondContact O-N 3.42Å
417M91Very high95.6Very high56 Ų5627.5 Ų27.528%0.27615%0.152SC..G310 helixtrans-72.5-13.3175.4-61.6-66.8-80.500113.1Q316 N415Q316-M417 HydrophobicContact CB-SD 4.18Å; Q316-M417 HydrophobicContact CG-CE 3.96Å; Q316-M417 HydrophobicContact CG-SD 3.7Å; N415-M417 PolarHBondContact O-N 2.93Å; N415-M417 WeakPolarHBondContact OD1-CA 3.41Å; N415-M417 WeakPolarHBondContact OD1-CB 3.28Å; N415-M417 PolarHBondContact OD1-N 2.82Å
418R90.1Very high95.6Very high87 Ų8725.5 Ų25.533%0.32814%0.139SC..G310 helixtrans-115.749.4175.8-69.7-161.660.5177.8-6.1111.4N415 V416 G420 E421 F423 Y442N415-R418 HydrophobicContact CB-CB 4.01Å; N415-R418 HydrophobicContact CB-CG 4.47Å; N415-R418 CarbonylContact O-C 3.54Å; N415-R418 WeakPolarHBondContact O-CA 3.45Å; N415-R418 PolarHBondContact O-N 2.85Å; N415-R418 PolarHBondContact OD1-N 3.48Å; V416-R418 PolarHBondContact O-N 3.42Å; R418-G420 PolarHBondContact O-N 3.32Å; R418-G420 VanDerWaalsContact O-N 3.07Å; R418-E421 HydrophobicContact CB-CB 4.36Å; R418-E421 IonicContact CZ-OE1 3.46Å; R418-E421 IonicContact CZ-OE2 3.32Å; R418-E421 VanDerWaalsContact CZ-OE2 3.27Å; R418-E421 IonicContact NE-OE1 2.73Å; R418-E421 IonicContact NE-OE2 3.38Å; R418-E421 IonicContact NH1-OE2 2.72Å; R418-E421 VanDerWaalsContact NH2-CD 3.34Å; R418-E421 IonicContact NH2-OE1 3.97Å; R418-E421 PolarHBondContact NH2-OE1 3.42Å; R418-E421 IonicContact NH2-OE2 2.77Å; R418-E421 PolarHBondContact NH2-OE2 2.98Å; R418-E421 WeakPolarHBondContact O-CB 3.42Å; R418-E421 WeakPolarHBondContact O-CG 3.42Å; R418-E421 PolarHBondContact O-N 3.47Å; R418-F423 HydrophobicContact CB-CE2 4.42Å; R418-F423 VanDerWaalsContact CZ-CZ 3.5Å; R418-Y442 PolarHBondContact NH1-OH 3.22Å
419N89.3Confident95.6Very high87 Ų8725.4 Ų25.447%0.46513%0.128SC..THydrogen-bonded Turntrans52.935.4174.6-173.644.8000112.7N232 E421N232-N419 VanDerWaalsContact CB-O 3.29Å; N232-N419 WeakPolarHBondContact CB-O 3.42Å; N232-N419 VanDerWaalsContact ND2-CG 3.3Å; N232-N419 PolarHBondContact ND2-ND2 3.05Å; N232-N419 VanDerWaalsContact ND2-ND2 3.17Å; N232-N419 PolarHBondContact ND2-OD1 2.88Å; N419-E421 VanDerWaalsContact C-N 3.29Å; N419-E421 PolarHBondContact O-N 2.86Å
420G91.5Very high95.4Very high8 Ų827.6 Ų27.68%0.08214%0.139CC..THydrogen-bonded Turntrans68.221.3179.200000115.2R207 N232 N415 R418R207-G420 PolarHBondContact NH2-O 3.22Å; N232-G420 WeakPolarHBondContact O-CA 3.24Å; N415-G420 WeakPolarHBondContact O-CA 3.47Å; N415-G420 PolarHBondContact O-N 3.5Å; N415-G420 VanDerWaalsContact O-N 3.1Å; R418-G420 PolarHBondContact O-N 3.32Å; R418-G420 VanDerWaalsContact O-N 3.07Å
421E93.9Very high95.2Very high67 Ų6726.3 Ų26.331%0.31314%0.137SC..EExtended strand (participates in β ladder)trans-60.9147.8168.9-77.2178.8-139.200111.1T414 N415 R418 N419 F423 S471T414-E421 CarbonylContact C-O 3.44Å; T414-E421 WeakPolarHBondContact CA-O 3.39Å; N415-E421 PolarHBondContact N-O 3.47Å; R418-E421 HydrophobicContact CB-CB 4.36Å; R418-E421 IonicContact CZ-OE1 3.46Å; R418-E421 IonicContact CZ-OE2 3.32Å; R418-E421 VanDerWaalsContact CZ-OE2 3.27Å; R418-E421 IonicContact NE-OE1 2.73Å; R418-E421 IonicContact NE-OE2 3.38Å; R418-E421 IonicContact NH1-OE2 2.72Å; R418-E421 VanDerWaalsContact NH2-CD 3.34Å; R418-E421 IonicContact NH2-OE1 3.97Å; R418-E421 PolarHBondContact NH2-OE1 3.42Å; R418-E421 IonicContact NH2-OE2 2.77Å; R418-E421 PolarHBondContact NH2-OE2 2.98Å; R418-E421 WeakPolarHBondContact O-CB 3.42Å; R418-E421 WeakPolarHBondContact O-CG 3.42Å; R418-E421 PolarHBondContact O-N 3.47Å; N419-E421 VanDerWaalsContact C-N 3.29Å; N419-E421 PolarHBondContact O-N 2.86Å; E421-F423 HydrophobicContact CB-CD2 4.35Å; E421-F423 HydrophobicContact CB-CE2 3.57Å; E421-F423 HydrophobicContact CB-CZ 4.27Å; E421-F423 WeakPolarHBondContact OE2-CZ 3.45Å; E421-S471 PolarHBondContact OE2-OG 2.95Å; E421-S471 VanDerWaalsContact OE2-OG 3.07Å
422I95.9Very high94.9Very high4 Ų428 Ų282%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-102.9136.2178-56.6176.2000109.8E412 A413 Y458 W462 V468 L470 S471E412-I422 HydrophobicContact CB-CG2 3.78Å; A413-I422 WeakPolarHBondContact O-CA 3.27Å; I422-Y458 HydrophobicContact CD1-CD2 4.06Å; I422-Y458 HydrophobicContact CD1-CE2 3.73Å; I422-Y458 HydrophobicContact CG1-CE2 4.4Å; I422-W462 HydrophobicContact CD1-CE3 4.17Å; I422-W462 HydrophobicContact CD1-CZ3 3.58Å; I422-V468 HydrophobicContact CD1-CG1 3.82Å; I422-L470 HydrophobicContact CB-CD1 4.41Å; I422-L470 HydrophobicContact CG2-CD1 3.79Å; I422-S471 VanDerWaalsContact O-CB 3.28Å; I422-S471 WeakPolarHBondContact O-CB 3.33Å; I422-S471 PolarHBondContact O-N 3.09Å; I422-S471 PolarHBondContact O-OG 2.75Å
423F96.4Very high94.7Very high1 Ų128.6 Ų28.60%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-125.1149.7-179-74.1-94000111.8E412 A413 N415 R418 E421 A425 F439 Y442 S471E412-F423 WeakPolarHBondContact CA-O 3.46Å; A413-F423 PolarHBondContact N-O 3.36Å; A413-F423 PolarHBondContact O-N 3.01Å; N415-F423 HydrophobicContact CB-CD2 3.81Å; N415-F423 HydrophobicContact CB-CE2 3.93Å; R418-F423 HydrophobicContact CB-CE2 4.42Å; R418-F423 VanDerWaalsContact CZ-CZ 3.5Å; E421-F423 HydrophobicContact CB-CD2 4.35Å; E421-F423 HydrophobicContact CB-CE2 3.57Å; E421-F423 HydrophobicContact CB-CZ 4.27Å; E421-F423 WeakPolarHBondContact OE2-CZ 3.45Å; F423-A425 PolarHBondContact O-N 2.89Å; F423-F439 HydrophobicContact CB-CB 4.47Å; F423-F439 HydrophobicContact CB-CD1 3.56Å; F423-F439 HydrophobicContact CB-CE1 4.21Å; F423-F439 HydrophobicContact CB-CG 4.38Å; F423-F439 HydrophobicContact CD2-CD1 4.42Å; F423-F439 HydrophobicContact CG-CD1 4.17Å; F423-Y442 HydrophobicContact CD1-CE2 4.01Å; F423-Y442 AromaticContact CE1-CE2 3.99Å; F423-Y442 HydrophobicContact CE1-CE2 3.99Å; F423-S471 VanDerWaalsContact CZ-CB 3.45Å
424P97.2Very high94.6Very high0 Ų028.7 Ų28.70%016%0.157CC..EExtended strand (participates in β ladder)trans-55.8131.9159-20.732.9000109.2Y28 W30 D440 L470 S471 P473Y28-P424 HydrophobicContact CD1-CB 4.36Å; Y28-P424 HydrophobicContact CD1-CG 3.34Å; Y28-P424 HydrophobicContact CE1-CB 4.15Å; Y28-P424 HydrophobicContact CE1-CG 3.59Å; Y28-P424 HydrophobicContact CG-CG 3.94Å; W30-P424 HydrophobicContact CH2-CB 3.65Å; W30-P424 HydrophobicContact CZ2-CB 3.78Å; W30-P424 HydrophobicContact CZ2-CG 4.4Å; W30-P424 HydrophobicContact CZ3-CB 4.37Å; P424-D440 HydrophobicContact CB-CB 3.96Å; P424-D440 VanDerWaalsContact O-CB 3.28Å; P424-D440 WeakPolarHBondContact O-CB 3.41Å; P424-D440 PolarHBondContact O-N 3.15Å; P424-L470 HydrophobicContact CG-CD1 4.19Å; P424-L470 HydrophobicContact CG-CD2 4.16Å; P424-L470 HydrophobicContact CG-CG 4.05Å; P424-S471 WeakPolarHBondContact CD-O 3.18Å; P424-P473 HydrophobicContact CG-CG 4.25Å
425A98Very high94.7Very high0 Ų028.7 Ų28.70%016%0.157CC..EExtended strand (participates in β ladder)trans-149.3166.4-174.700000111.9W410 L411 A413 F423 I437 Q438 F439W410-A425 WeakPolarHBondContact CA-O 3.37Å; W410-A425 VanDerWaalsContact CE3-O 3.3Å; L411-A425 HydrophobicContact CD1-CB 3.99Å; L411-A425 PolarHBondContact N-O 3.25Å; L411-A425 PolarHBondContact O-N 2.8Å; L411-A425 VanDerWaalsContact O-O 3.12Å; A413-A425 HydrophobicContact CB-CB 3.84Å; F423-A425 PolarHBondContact O-N 2.89Å; A425-I437 HydrophobicContact CB-CG2 3.55Å; A425-Q438 CarbonylContact C-O 3.56Å; A425-Q438 WeakPolarHBondContact CA-O 3.19Å; A425-Q438 VanDerWaalsContact CB-O 3.25Å; A425-Q438 WeakPolarHBondContact CB-O 3.3Å; A425-F439 HydrophobicContact CB-CD1 4.13Å
426S97.7Very high94.8Very high19 Ų1931.7 Ų31.713%0.13317%0.168CC..EExtended strand (participates in β ladder)trans-138.5147.4178.863.40000112.1Q409 I437 Q438Q409-S426 VanDerWaalsContact O-CA 3.27Å; Q409-S426 WeakPolarHBondContact O-CA 3.5Å; S426-I437 WeakPolarHBondContact O-CA 3.48Å; S426-Q438 PolarHBondContact N-O 3.49Å; S426-Q438 PolarHBondContact O-N 3.08Å
427I98.3Very high95.2Very high1 Ų129.3 Ų29.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-80.1119.5177.6-61.9165.7000108.8F405 G408 Q409 L411 I430 L435 I437F405-I427 HydrophobicContact CB-CD1 3.94Å; F405-I427 HydrophobicContact CD1-CD1 3.38Å; F405-I427 HydrophobicContact CE1-CD1 4.16Å; F405-I427 HydrophobicContact CG-CD1 3.91Å; G408-I427 PolarHBondContact N-O 2.79Å; Q409-I427 HydrophobicContact CB-CD1 4.31Å; Q409-I427 PolarHBondContact O-N 2.78Å; L411-I427 HydrophobicContact CD2-CD1 3.73Å; L411-I427 HydrophobicContact CD2-CG1 3.71Å; I427-I430 HydrophobicContact CG2-CD1 4Å; I427-I430 HydrophobicContact CG2-CG1 3.61Å; I427-L435 HydrophobicContact CD1-CD1 4.48Å; I427-I437 HydrophobicContact CG1-CG1 4.2Å
428V97.2Very high95.5Very high53 Ų5328.5 Ų28.532%0.32115%0.149SC..EExtended strand (participates in β ladder)trans-106.1-19.9-178.2-60.60000113.3R436 Q438V428-R436 HydrophobicContact CG2-CB 3.81Å; V428-R436 HydrophobicContact CG2-CG 3.66Å; V428-R436 WeakPolarHBondContact CG2-O 3.17Å; V428-R436 PolarHBondContact N-O 3.3Å; V428-Q438 HydrophobicContact CG1-CB 3.81Å
429Q96.5Very high95.7Very high40 Ų4024.3 Ų24.319%0.18713%0.133CC..EExtended strand (participates in β ladder)trans-154.2143.9177.5-167.7174.9-4.100110.1A363 R436A363-Q429 PolarHBondContact O-NE2 2.74Å; Q429-R436 HydrophobicContact CB-CB 3.67Å; Q429-R436 PolarHBondContact O-N 2.82Å
430I95.8Very high96Very high58 Ų5821.7 Ų21.730%0.29712%0.119SC..EExtended strand (participates in β ladder)trans-128.3124.2176.4-58.2179000107.6F405 V407 I427 L435F405-I430 VanDerWaalsContact C-CD1 3.49Å; F405-I430 HydrophobicContact CB-CD1 3.86Å; F405-I430 VanDerWaalsContact O-CD1 3.26Å; F405-I430 WeakPolarHBondContact O-CD1 3.38Å; V407-I430 HydrophobicContact CG2-CD1 4.16Å; V407-I430 HydrophobicContact CG2-CG1 3.97Å; I427-I430 HydrophobicContact CG2-CD1 4Å; I427-I430 HydrophobicContact CG2-CG1 3.61Å; I430-L435 HydrophobicContact CB-CD2 4.4Å; I430-L435 HydrophobicContact CD1-CD2 4.42Å; I430-L435 HydrophobicContact CG1-CD2 3.9Å; I430-L435 HydrophobicContact CG2-CD2 4.06Å
431C94.3Very high95.8Very high18 Ų1823.2 Ų23.212%0.12214%0.135CC..EExtended strand (participates in β ladder)trans-130.789.5-179.9-60.30000109F359 A363 R433 L434F359-C431 HydrophobicContact CE1-CB 4.33Å; F359-C431 HydrophobicContact CZ-CB 3.76Å; A363-C431 HydrophobicContact CB-CB 4.38Å; C431-R433 PolarHBondContact O-N 3.01Å; C431-L434 PolarHBondContact N-O 3.35Å; C431-L434 WeakPolarHBondContact O-CB 3.11Å; C431-L434 PolarHBondContact O-N 2.94Å
432G92.6Very high95.5Very high35 Ų3521.3 Ų21.336%0.36113%0.125SC..THydrogen-bonded Turntrans60.8-125.1-168.100000110.1L398 L434L398-G432 CarbonylContact O-C 3.48Å; L398-G432 WeakPolarHBondContact O-CA 3.17Å; G432-L434 VanDerWaalsContact C-N 3.33Å
433R93.9Very high95.1Very high15 Ų1523 Ų236%0.05714%0.137CC..THydrogen-bonded Turntrans-79.7-6.6173.975.1-177.8-63-178.34.1114.9S350 A352 K397 L398 P400 C431 D451 S452 E453S350-R433 PolarHBondContact O-NH1 2.96Å; A352-R433 HydrophobicContact CB-CG 3.73Å; K397-R433 WeakPolarHBondContact O-CD 3.49Å; L398-R433 PolarHBondContact O-N 2.64Å; P400-R433 HydrophobicContact CB-CB 4.26Å; C431-R433 PolarHBondContact O-N 3.01Å; R433-D451 IonicContact CZ-OD1 3.1Å; R433-D451 IonicContact CZ-OD2 3.45Å; R433-D451 IonicContact NE-OD1 2.69Å; R433-D451 PolarHBondContact NE-OD1 3.46Å; R433-D451 IonicContact NE-OD2 2.85Å; R433-D451 IonicContact NH2-OD1 2.71Å; R433-D451 PolarHBondContact NH2-OD1 2.75Å; R433-D451 IonicContact NH2-OD2 3.62Å; R433-D451 PolarHBondContact NH2-OD2 3.09Å; R433-S452 VanDerWaalsContact O-CB 3.24Å; R433-S452 WeakPolarHBondContact O-CB 3.38Å; R433-S452 PolarHBondContact O-N 3.39Å; R433-S452 PolarHBondContact O-OG 3.17Å; R433-E453 IonicContact CZ-OE2 2.84Å; R433-E453 IonicContact NH2-OE2 3.52Å; R433-E453 PolarHBondContact NH2-OE2 3.34Å
434L96Very high94.6Very high1 Ų130 Ų301%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-90.1126.9-176.9-166.975000110.9I312 I320 L353 L355 F359 C431 G432 W449I312-L434 HydrophobicContact CD1-CD1 3.7Å; I312-L434 HydrophobicContact CD1-CD2 3.79Å; I312-L434 HydrophobicContact CD1-CG 4.36Å; I320-L434 HydrophobicContact CD1-CD2 4.24Å; L353-L434 HydrophobicContact CD2-CD1 4.3Å; L355-L434 HydrophobicContact CD1-CD2 4.23Å; F359-L434 HydrophobicContact CE1-CD2 4.1Å; F359-L434 HydrophobicContact CZ-CD2 4.42Å; C431-L434 PolarHBondContact N-O 3.35Å; C431-L434 WeakPolarHBondContact O-CB 3.11Å; C431-L434 PolarHBondContact O-N 2.94Å; G432-L434 VanDerWaalsContact C-N 3.33Å; L434-W449 HydrophobicContact CD1-CB 4.34Å; L434-W449 HydrophobicContact CD1-CE3 4.46Å; L434-W449 HydrophobicContact CD2-CD2 3.98Å; L434-W449 HydrophobicContact CD2-CE3 3.48Å; L434-W449 VanDerWaalsContact CD2-CE3 3.48Å; L434-W449 HydrophobicContact CD2-CZ3 3.78Å; L434-W449 HydrophobicContact CG-CD2 4.38Å; L434-W449 HydrophobicContact CG-CE3 3.62Å; L434-W449 HydrophobicContact CG-CZ3 4.1Å
435L97.2Very high94Very high1 Ų138 Ų381%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-109.8130.6-179.3-52.8-177.5000110.5F405 I427 I430 I437 W449 F450 I457F405-L435 HydrophobicContact CB-CD2 4.22Å; F405-L435 HydrophobicContact CD1-CD1 4.46Å; F405-L435 HydrophobicContact CD2-CD1 3.83Å; F405-L435 HydrophobicContact CD2-CD2 4.28Å; F405-L435 HydrophobicContact CE2-CD1 3.97Å; F405-L435 HydrophobicContact CG-CD1 4.09Å; F405-L435 HydrophobicContact CG-CD2 4.39Å; F405-L435 HydrophobicContact CZ-CD1 4.33Å; I427-L435 HydrophobicContact CD1-CD1 4.48Å; I430-L435 HydrophobicContact CB-CD2 4.4Å; I430-L435 HydrophobicContact CD1-CD2 4.42Å; I430-L435 HydrophobicContact CG1-CD2 3.9Å; I430-L435 HydrophobicContact CG2-CD2 4.06Å; L435-I437 HydrophobicContact CB-CD1 4.19Å; L435-I437 HydrophobicContact CB-CG1 4.09Å; L435-I437 HydrophobicContact CD1-CD1 4.33Å; L435-W449 CarbonylContact O-C 3.57Å; L435-W449 WeakPolarHBondContact O-CA 3.24Å; L435-F450 PolarHBondContact N-O 3.21Å; L435-F450 PolarHBondContact O-N 3.36Å; L435-I457 HydrophobicContact CD1-CD1 3.94Å
436R97.6Very high93.6Very high64 Ų6438.4 Ų38.424%0.24221%0.208CC..EExtended strand (participates in β ladder)trans-93.7118.5165.5-162.5174.7162.2-173.7-8.6108.8V428 Q429 F447 W449V428-R436 HydrophobicContact CG2-CB 3.81Å; V428-R436 HydrophobicContact CG2-CG 3.66Å; V428-R436 WeakPolarHBondContact CG2-O 3.17Å; V428-R436 PolarHBondContact N-O 3.3Å; Q429-R436 HydrophobicContact CB-CB 3.67Å; Q429-R436 PolarHBondContact O-N 2.82Å; R436-F447 HydrophobicContact CG-CB 4.14Å; R436-F447 HydrophobicContact CG-CD2 3.38Å; R436-F447 HydrophobicContact CG-CE2 3.94Å; R436-F447 HydrophobicContact CG-CG 3.82Å; R436-F447 VanDerWaalsContact NE-CG 3.31Å; R436-F447 VanDerWaalsContact NH2-CD1 3.28Å; R436-W449 HydrophobicContact CB-CD2 4.45Å; R436-W449 HydrophobicContact CB-CE3 3.79Å; R436-W449 HydrophobicContact CB-CH2 3.79Å; R436-W449 HydrophobicContact CB-CZ2 4.42Å; R436-W449 HydrophobicContact CB-CZ3 3.46Å; R436-W449 VanDerWaalsContact CB-CZ3 3.46Å; R436-W449 HydrophobicContact CG-CD2 4.43Å; R436-W449 HydrophobicContact CG-CE3 4.24Å; R436-W449 HydrophobicContact CG-CH2 4.03Å; R436-W449 HydrophobicContact CG-CZ2 4.19Å; R436-W449 HydrophobicContact CG-CZ3 4.09Å
437I98.4Very high93.5Very high0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-120.3121.8-174.1-63.4-178.7000109.6L411 A413 A425 S426 I427 L435 F447 H448 F450 I457L411-I437 HydrophobicContact CD1-CD1 4.18Å; L411-I437 HydrophobicContact CD1-CG2 4.08Å; L411-I437 HydrophobicContact CD2-CD1 3.97Å; A413-I437 HydrophobicContact CB-CG2 3.93Å; A425-I437 HydrophobicContact CB-CG2 3.55Å; S426-I437 WeakPolarHBondContact O-CA 3.48Å; I427-I437 HydrophobicContact CG1-CG1 4.2Å; L435-I437 HydrophobicContact CB-CD1 4.19Å; L435-I437 HydrophobicContact CB-CG1 4.09Å; L435-I437 HydrophobicContact CD1-CD1 4.33Å; I437-F447 CarbonylContact O-C 3.57Å; I437-F447 WeakPolarHBondContact O-CA 3.37Å; I437-F447 VanDerWaalsContact O-CB 3.29Å; I437-F447 WeakPolarHBondContact O-CB 3.47Å; I437-H448 PolarHBondContact N-O 2.65Å; I437-H448 PolarHBondContact O-N 3.19Å; I437-F450 HydrophobicContact CB-CD2 3.84Å; I437-F450 HydrophobicContact CB-CE2 3.9Å; I437-F450 HydrophobicContact CD1-CB 4.19Å; I437-F450 HydrophobicContact CD1-CD2 3.57Å; I437-F450 HydrophobicContact CD1-CE2 4.11Å; I437-F450 HydrophobicContact CD1-CG 4.06Å; I437-F450 HydrophobicContact CG1-CD2 3.93Å; I437-F450 HydrophobicContact CG1-CE2 4.42Å; I437-F450 HydrophobicContact CG2-CE2 4.28Å; I437-I457 HydrophobicContact CD1-CG2 3.7Å
438Q97Very high93.5Very high39 Ų3938.9 Ų38.918%0.18221%0.207CC..EExtended strand (participates in β ladder)trans-98.2137.5177.1-179.8179.9-9.200110.6A425 S426 V428 Y442A425-Q438 CarbonylContact C-O 3.56Å; A425-Q438 WeakPolarHBondContact CA-O 3.19Å; A425-Q438 VanDerWaalsContact CB-O 3.25Å; A425-Q438 WeakPolarHBondContact CB-O 3.3Å; S426-Q438 PolarHBondContact N-O 3.49Å; S426-Q438 PolarHBondContact O-N 3.08Å; V428-Q438 HydrophobicContact CG1-CB 3.81Å; Q438-Y442 PolarHBondContact NE2-O 3.32Å; Q438-Y442 VanDerWaalsContact NE2-O 3.16Å
439F95.8Very high93.5Very high0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans-83.1137.8176.1-59.2-70.9000111.7A413 N415 F423 A425 Y442 V446 H448A413-F439 HydrophobicContact CB-CE1 3.9Å; N415-F439 HydrophobicContact CB-CE1 3.99Å; N415-F439 HydrophobicContact CB-CE2 4.25Å; N415-F439 HydrophobicContact CB-CZ 3.7Å; F423-F439 HydrophobicContact CB-CB 4.47Å; F423-F439 HydrophobicContact CB-CD1 3.56Å; F423-F439 HydrophobicContact CB-CE1 4.21Å; F423-F439 HydrophobicContact CB-CG 4.38Å; F423-F439 HydrophobicContact CD2-CD1 4.42Å; F423-F439 HydrophobicContact CG-CD1 4.17Å; A425-F439 HydrophobicContact CB-CD1 4.13Å; F439-Y442 HydrophobicContact CB-CD2 3.58Å; F439-Y442 HydrophobicContact CB-CE2 4.16Å; F439-Y442 HydrophobicContact CB-CG 4.33Å; F439-Y442 PolarHBondContact O-N 3.45Å; F439-V446 HydrophobicContact CD2-CG1 4.1Å; F439-H448 HydrophobicContact CE2-CB 4.33Å; F439-H448 AromaticContact CE2-CD2 3.81Å; F439-H448 AromaticContact CE2-CE1 3.85Å; F439-H448 AromaticContact CE2-CG 3.7Å; F439-H448 AromaticContact CE2-ND1 3.74Å; F439-H448 AromaticContact CE2-NE2 3.88Å; F439-H448 HydrophobicContact CZ-CB 4.4Å; F439-H448 AromaticContact CZ-CE1 3.93Å; F439-H448 AromaticContact CZ-CG 3.89Å; F439-H448 AromaticContact CZ-ND1 3.57Å
440D94.2Very high93.5Very high32 Ų3235.3 Ų35.317%0.17119%0.187CC..THydrogen-bonded Turntrans-65.6139.2-176.1-164.742.1000112.8K33 W410 P424 Y442 P473 N474K33-D440 IonicContact NZ-OD1 3.9Å; K33-D440 PolarHBondContact NZ-OD1 3.24Å; K33-D440 IonicContact NZ-OD2 2.98Å; K33-D440 PolarHBondContact NZ-OD2 3.45Å; W410-D440 WeakPolarHBondContact CH2-OD1 3.24Å; W410-D440 HydrophobicContact CZ3-CB 4.03Å; P424-D440 HydrophobicContact CB-CB 3.96Å; P424-D440 VanDerWaalsContact O-CB 3.28Å; P424-D440 WeakPolarHBondContact O-CB 3.41Å; P424-D440 PolarHBondContact O-N 3.15Å; D440-Y442 VanDerWaalsContact O-CD2 3.3Å; D440-Y442 WeakPolarHBondContact O-CD2 3.18Å; D440-Y442 PolarHBondContact O-N 3.1Å; D440-P473 HydrophobicContact CB-CB 4.05Å; D440-P473 HydrophobicContact CB-CG 4.11Å; D440-P473 WeakPolarHBondContact O-CA 3.16Å; D440-P473 WeakPolarHBondContact OD2-CB 3.25Å; D440-P473 WeakPolarHBondContact OD2-CG 3.45Å; D440-N474 PolarHBondContact O-N 3.15Å
441G88.7Confident93.5Very high40 Ų4033.9 Ų33.941%0.41218%0.179SC..THydrogen-bonded Turntrans75.4-4.7-176.200000114.9N474G441-N474 CarbonylContact C-O 3.51Å
442Y88.1Confident93.6Very high26 Ų2633.2 Ų33.210%0.10218%0.175CC..SBendtrans-94.5158.5173.3-65.5-89.7000111.9R418 F423 Q438 F439 D440 V446 N474 M482R418-Y442 PolarHBondContact NH1-OH 3.22Å; F423-Y442 HydrophobicContact CD1-CE2 4.01Å; F423-Y442 AromaticContact CE1-CE2 3.99Å; F423-Y442 HydrophobicContact CE1-CE2 3.99Å; Q438-Y442 PolarHBondContact NE2-O 3.32Å; Q438-Y442 VanDerWaalsContact NE2-O 3.16Å; F439-Y442 HydrophobicContact CB-CD2 3.58Å; F439-Y442 HydrophobicContact CB-CE2 4.16Å; F439-Y442 HydrophobicContact CB-CG 4.33Å; F439-Y442 PolarHBondContact O-N 3.45Å; D440-Y442 VanDerWaalsContact O-CD2 3.3Å; D440-Y442 WeakPolarHBondContact O-CD2 3.18Å; D440-Y442 PolarHBondContact O-N 3.1Å; Y442-V446 HydrophobicContact CD1-CG1 4.25Å; Y442-V446 HydrophobicContact CD1-CG2 4.49Å; Y442-V446 HydrophobicContact CG-CB 4.45Å; Y442-V446 HydrophobicContact CG-CG1 4.18Å; Y442-N474 HydrophobicContact CD1-CB 4.18Å; Y442-N474 HydrophobicContact CD2-CB 4.17Å; Y442-N474 HydrophobicContact CE1-CB 3.73Å; Y442-N474 HydrophobicContact CE2-CB 3.73Å; Y442-N474 HydrophobicContact CG-CB 4.39Å; Y442-N474 VanDerWaalsContact CZ-CB 3.49Å; Y442-M482 HydrophobicContact CD1-CE 3.44Å; Y442-M482 VanDerWaalsContact CD1-CE 3.44Å; Y442-M482 HydrophobicContact CE1-CE 3.37Å; Y442-M482 HydrophobicContact CG-CE 4.48Å
443S86.6Confident93.6Very high39 Ų3934.1 Ų34.127%0.27317%0.17SC..  trans-63.3156.2174.764.20000111.2K445 V446 E479S443-K445 PolarHBondContact O-N 3.26Å; S443-V446 WeakPolarHBondContact O-CB 3.47Å; S443-V446 PolarHBondContact O-N 2.7Å; S443-E479 WeakPolarHBondContact CB-OE1 3.34Å; S443-E479 PolarHBondContact OG-OE1 2.86Å
444E85Confident93.6Very high150 Ų15034 Ų3470%0.70117%0.172SC*.THydrogen-bonded Turntrans-61.1-12.5-179.2-60.9176.8178.200113.7V446E444-V446 VanDerWaalsContact C-N 3.34Å
445K85.5Confident93.5Very high166 Ų16634.8 Ų34.872%0.72218%0.177SC*.THydrogen-bonded Turntrans-78.8-18.7173.3-62.4-176179.6-178.60113S443 F447S443-K445 PolarHBondContact O-N 3.26Å; K445-F447 WeakPolarHBondContact O-CD1 3.42Å; K445-F447 PolarHBondContact O-N 3.48Å
446V89.7Confident93.4Very high10 Ų1035.2 Ų35.26%0.06118%0.179CC..  trans-95.692.8179.1-177.40000108.6F439 Y442 S443 E444 M482F439-V446 HydrophobicContact CD2-CG1 4.1Å; Y442-V446 HydrophobicContact CD1-CG1 4.25Å; Y442-V446 HydrophobicContact CD1-CG2 4.49Å; Y442-V446 HydrophobicContact CG-CB 4.45Å; Y442-V446 HydrophobicContact CG-CG1 4.18Å; S443-V446 WeakPolarHBondContact O-CB 3.47Å; S443-V446 PolarHBondContact O-N 2.7Å; E444-V446 VanDerWaalsContact C-N 3.34Å; V446-M482 HydrophobicContact CB-CE 4.48Å; V446-M482 HydrophobicContact CB-SD 4.33Å; V446-M482 HydrophobicContact CG1-CE 3.66Å; V446-M482 HydrophobicContact CG1-SD 3.48Å; V446-M482 WeakPolarHBondContact CG1-SD 3.43Å; V446-M482 HydrophobicContact CG2-CE 3.97Å; V446-M482 HydrophobicContact CG2-SD 3.87Å
447F95.7Very high93.4Very high26 Ų2632.2 Ų32.211%0.11417%0.168CC..EExtended strand (participates in β ladder)trans-140.4158.7175.265.8-90.1000109.2T318 R436 I437 K445 W449T318-F447 VanDerWaalsContact O-CE2 3.26Å; T318-F447 WeakPolarHBondContact O-CE2 3.28Å; T318-F447 WeakPolarHBondContact O-CZ 3.4Å; R436-F447 HydrophobicContact CG-CB 4.14Å; R436-F447 HydrophobicContact CG-CD2 3.38Å; R436-F447 HydrophobicContact CG-CE2 3.94Å; R436-F447 HydrophobicContact CG-CG 3.82Å; R436-F447 VanDerWaalsContact NE-CG 3.31Å; R436-F447 VanDerWaalsContact NH2-CD1 3.28Å; I437-F447 CarbonylContact O-C 3.57Å; I437-F447 WeakPolarHBondContact O-CA 3.37Å; I437-F447 VanDerWaalsContact O-CB 3.29Å; I437-F447 WeakPolarHBondContact O-CB 3.47Å; K445-F447 WeakPolarHBondContact O-CD1 3.42Å; K445-F447 PolarHBondContact O-N 3.48Å; F447-W449 AromaticContact CE2-CD1 3.93Å; F447-W449 AromaticContact CE2-CE2 3.88Å; F447-W449 HydrophobicContact CE2-CZ2 4.34Å; F447-W449 AromaticContact CE2-NE1 3.5Å
448H97.5Very high93.3Very high3 Ų332.2 Ų32.21%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-118.6148.9168.7-72.1-177.1000109.7P317 N415 I437 F439 F450P317-H448 HydrophobicContact CB-CB 4.42Å; P317-H448 HydrophobicContact CG-CB 3.86Å; P317-H448 CarbonylContact O-C 3.6Å; P317-H448 VanDerWaalsContact O-CA 3.32Å; P317-H448 WeakPolarHBondContact O-CA 3.4Å; N415-H448 PolarHBondContact OD1-CE1 3.33Å; N415-H448 VanDerWaalsContact OD1-CE1 3.23Å; I437-H448 PolarHBondContact N-O 2.65Å; I437-H448 PolarHBondContact O-N 3.19Å; F439-H448 HydrophobicContact CE2-CB 4.33Å; F439-H448 AromaticContact CE2-CD2 3.81Å; F439-H448 AromaticContact CE2-CE1 3.85Å; F439-H448 AromaticContact CE2-CG 3.7Å; F439-H448 AromaticContact CE2-ND1 3.74Å; F439-H448 AromaticContact CE2-NE2 3.88Å; F439-H448 HydrophobicContact CZ-CB 4.4Å; F439-H448 AromaticContact CZ-CE1 3.93Å; F439-H448 AromaticContact CZ-CG 3.89Å; F439-H448 AromaticContact CZ-ND1 3.57Å; H448-F450 HydrophobicContact CB-CD2 4.02Å; H448-F450 HydrophobicContact CB-CE2 3.39Å; H448-F450 HydrophobicContact CB-CZ 3.92Å
449W97.8Very high93.3Very high6 Ų630.3 Ų30.32%0.02316%0.159CC..EExtended strand (participates in β ladder)trans-86133.3165.6-68.5111.3000110.2I312 P317 I320 I365 L434 L435 R436 F447I312-W449 HydrophobicContact CD1-CB 3.66Å; I312-W449 HydrophobicContact CD1-CD2 4.49Å; I312-W449 HydrophobicContact CD1-CG 3.84Å; I312-W449 HydrophobicContact CG1-CB 4.36Å; I312-W449 HydrophobicContact CG1-CG 4.38Å; I312-W449 HydrophobicContact CG2-CB 4.08Å; P317-W449 PolarHBondContact O-N 3.09Å; I320-W449 HydrophobicContact CD1-CZ2 4.26Å; I365-W449 HydrophobicContact CD1-CH2 3.43Å; I365-W449 VanDerWaalsContact CD1-CH2 3.43Å; I365-W449 HydrophobicContact CD1-CZ2 3.86Å; I365-W449 HydrophobicContact CD1-CZ3 4.22Å; I365-W449 HydrophobicContact CG1-CH2 3.92Å; I365-W449 HydrophobicContact CG1-CZ2 4.16Å; I365-W449 HydrophobicContact CG2-CH2 4.42Å; I365-W449 HydrophobicContact CG2-CZ2 3.8Å; L434-W449 HydrophobicContact CD1-CB 4.34Å; L434-W449 HydrophobicContact CD1-CE3 4.46Å; L434-W449 HydrophobicContact CD2-CD2 3.98Å; L434-W449 HydrophobicContact CD2-CE3 3.48Å; L434-W449 VanDerWaalsContact CD2-CE3 3.48Å; L434-W449 HydrophobicContact CD2-CZ3 3.78Å; L434-W449 HydrophobicContact CG-CD2 4.38Å; L434-W449 HydrophobicContact CG-CE3 3.62Å; L434-W449 HydrophobicContact CG-CZ3 4.1Å; L435-W449 CarbonylContact O-C 3.57Å; L435-W449 WeakPolarHBondContact O-CA 3.24Å; R436-W449 HydrophobicContact CB-CD2 4.45Å; R436-W449 HydrophobicContact CB-CE3 3.79Å; R436-W449 HydrophobicContact CB-CH2 3.79Å; R436-W449 HydrophobicContact CB-CZ2 4.42Å; R436-W449 HydrophobicContact CB-CZ3 3.46Å; R436-W449 VanDerWaalsContact CB-CZ3 3.46Å; R436-W449 HydrophobicContact CG-CD2 4.43Å; R436-W449 HydrophobicContact CG-CE3 4.24Å; R436-W449 HydrophobicContact CG-CH2 4.03Å; R436-W449 HydrophobicContact CG-CZ2 4.19Å; R436-W449 HydrophobicContact CG-CZ3 4.09Å; F447-W449 AromaticContact CE2-CD1 3.93Å; F447-W449 AromaticContact CE2-CE2 3.88Å; F447-W449 HydrophobicContact CE2-CZ2 4.34Å; F447-W449 AromaticContact CE2-NE1 3.5Å
450F96.8Very high93.4Very high13 Ų1330.3 Ų30.36%0.05716%0.159CC..EExtended strand (participates in β ladder)trans-128.8149.6175.4-67.5-94.5000110.4A413 T414 L435 I437 H448 D456 I457A413-F450 HydrophobicContact CB-CE2 4.38Å; A413-F450 HydrophobicContact CB-CZ 4.2Å; T414-F450 WeakPolarHBondContact O-CZ 3.32Å; L435-F450 PolarHBondContact N-O 3.21Å; L435-F450 PolarHBondContact O-N 3.36Å; I437-F450 HydrophobicContact CB-CD2 3.84Å; I437-F450 HydrophobicContact CB-CE2 3.9Å; I437-F450 HydrophobicContact CD1-CB 4.19Å; I437-F450 HydrophobicContact CD1-CD2 3.57Å; I437-F450 HydrophobicContact CD1-CE2 4.11Å; I437-F450 HydrophobicContact CD1-CG 4.06Å; I437-F450 HydrophobicContact CG1-CD2 3.93Å; I437-F450 HydrophobicContact CG1-CE2 4.42Å; I437-F450 HydrophobicContact CG2-CE2 4.28Å; H448-F450 HydrophobicContact CB-CD2 4.02Å; H448-F450 HydrophobicContact CB-CE2 3.39Å; H448-F450 HydrophobicContact CB-CZ 3.92Å; F450-D456 HydrophobicContact CE1-CB 4.24Å; F450-I457 HydrophobicContact CB-CG2 4.31Å; F450-I457 HydrophobicContact CD1-CG2 3.63Å; F450-I457 HydrophobicContact CD2-CG2 4.25Å; F450-I457 HydrophobicContact CE1-CG2 3.87Å; F450-I457 HydrophobicContact CE2-CG2 4.4Å; F450-I457 HydrophobicContact CG-CG2 3.82Å; F450-I457 HydrophobicContact CZ-CG2 4.24Å
451D95.4Very high93.5Very high27 Ų2728.8 Ų28.814%0.14415%0.151CC..EExtended strand (participates in β ladder)trans-66.1141.2156.2-171.50.4000109.7A352 R433 E453 S454A352-D451 HydrophobicContact CB-CB 3.72Å; A352-D451 VanDerWaalsContact CB-CG 3.48Å; R433-D451 IonicContact CZ-OD1 3.1Å; R433-D451 IonicContact CZ-OD2 3.45Å; R433-D451 IonicContact NE-OD1 2.69Å; R433-D451 PolarHBondContact NE-OD1 3.46Å; R433-D451 IonicContact NE-OD2 2.85Å; R433-D451 IonicContact NH2-OD1 2.71Å; R433-D451 PolarHBondContact NH2-OD1 2.75Å; R433-D451 IonicContact NH2-OD2 3.62Å; R433-D451 PolarHBondContact NH2-OD2 3.09Å; D451-E453 PolarHBondContact O-N 3.02Å; D451-E453 VanDerWaalsContact O-N 3.15Å; D451-E453 PolarHBondContact OD1-N 2.84Å; D451-S454 WeakPolarHBondContact O-CB 3.3Å; D451-S454 PolarHBondContact O-N 2.84Å
452S95.4Very high93.8Very high5 Ų527 Ų274%0.03513%0.132CC..THydrogen-bonded Turntrans-57.6-21.9170.663.60000113.4N403 F405 R433N403-S452 PolarHBondContact ND2-O 2.66Å; F405-S452 WeakPolarHBondContact CE2-O 3.32Å; R433-S452 VanDerWaalsContact O-CB 3.24Å; R433-S452 WeakPolarHBondContact O-CB 3.38Å; R433-S452 PolarHBondContact O-N 3.39Å; R433-S452 PolarHBondContact O-OG 3.17Å
453E93.4Very high94.1Very high53 Ų5325.8 Ų25.825%0.24813%0.127CC..THydrogen-bonded Turntrans-99.89.6175.1-62.9-178.4142.300112.9N401 N403 R433 D451N401-E453 VanDerWaalsContact CB-OE1 3.22Å; N401-E453 WeakPolarHBondContact CB-OE1 3.47Å; N401-E453 PolarHBondContact ND2-OE1 3.35Å; N401-E453 PolarHBondContact ND2-OE2 3.36Å; N403-E453 WeakPolarHBondContact ND2-CG 3.47Å; R433-E453 IonicContact CZ-OE2 2.84Å; R433-E453 IonicContact NH2-OE2 3.52Å; R433-E453 PolarHBondContact NH2-OE2 3.34Å; D451-E453 PolarHBondContact O-N 3.02Å; D451-E453 VanDerWaalsContact O-N 3.15Å; D451-E453 PolarHBondContact OD1-N 2.84Å
454S94.1Very high94.3Very high14 Ų1426.7 Ų26.710%0.09813%0.127CC..  trans-57.1133.7-177.4178.30000110.9H49 D451 D456 I457H49-S454 PolarHBondContact CE1-O 3.28Å; D451-S454 WeakPolarHBondContact O-CB 3.3Å; D451-S454 PolarHBondContact O-N 2.84Å; S454-D456 PolarHBondContact O-N 3.07Å; S454-D456 PolarHBondContact OG-N 3.43Å; S454-I457 WeakPolarHBondContact O-CG1 3.38Å
455P93Very high94.6Very high17 Ų1719.5 Ų19.511%0.119%0.093CC..THydrogen-bonded Turntrans-77.53175.436.2-39000112.8N234 K236 Y458N234-P455 HydrophobicContact CB-CB 3.86Å; N234-P455 HydrophobicContact CB-CG 4.08Å; N234-P455 WeakPolarHBondContact CB-O 3.44Å; N234-P455 PolarHBondContact ND2-O 3.12Å; K236-P455 HydrophobicContact CB-CB 4.21Å; K236-P455 HydrophobicContact CB-CG 4.24Å; P455-Y458 WeakPolarHBondContact O-CE1 3.49Å; P455-Y458 PolarHBondContact O-OH 3.34Å
456D95.5Very high94.8Very high10 Ų1011.7 Ų11.75%0.0536%0.059CC..THydrogen-bonded Turntrans-106.47.5-176.4-79.7-47.7000113.3R207 N234 T414 F450 S454R207-D456 IonicContact NH1-OD1 2.7Å; R207-D456 PolarHBondContact NH1-OD1 2.79Å; N234-D456 PolarHBondContact N-OD1 3.13Å; T414-D456 WeakPolarHBondContact CB-O 3.33Å; T414-D456 PolarHBondContact N-O 2.8Å; T414-D456 PolarHBondContact OG1-O 2.86Å; T414-D456 PolarHBondContact OG1-OD1 3.04Å; F450-D456 HydrophobicContact CE1-CB 4.24Å; S454-D456 PolarHBondContact O-N 3.07Å; S454-D456 PolarHBondContact OG-N 3.43Å
457I97.1Very high94.8Very high0 Ų011.7 Ų11.70%06%0.062CC..EExtended strand (participates in β ladder)trans-118.9141.2170.159.8173.4000110F47 H49 F405 E412 A413 L435 I437 F450 S454F47-I457 HydrophobicContact CD1-CD1 4.48Å; F47-I457 HydrophobicContact CD1-CG1 4.1Å; F47-I457 WeakPolarHBondContact CD1-O 3.36Å; F47-I457 HydrophobicContact CE1-CB 4.13Å; F47-I457 HydrophobicContact CE1-CD1 4.13Å; F47-I457 HydrophobicContact CE1-CG1 3.92Å; H49-I457 PolarHBondContact CE1-O 3.44Å; H49-I457 PolarHBondContact NE2-O 2.64Å; H49-I457 VanDerWaalsContact NE2-O 3.12Å; F405-I457 HydrophobicContact CZ-CD1 4.05Å; E412-I457 CarbonylContact O-C 3.58Å; E412-I457 WeakPolarHBondContact O-CA 3.47Å; A413-I457 HydrophobicContact CB-CG2 4.2Å; L435-I457 HydrophobicContact CD1-CD1 3.94Å; I437-I457 HydrophobicContact CD1-CG2 3.7Å; F450-I457 HydrophobicContact CB-CG2 4.31Å; F450-I457 HydrophobicContact CD1-CG2 3.63Å; F450-I457 HydrophobicContact CD2-CG2 4.25Å; F450-I457 HydrophobicContact CE1-CG2 3.87Å; F450-I457 HydrophobicContact CE2-CG2 4.4Å; F450-I457 HydrophobicContact CG-CG2 3.82Å; F450-I457 HydrophobicContact CZ-CG2 4.24Å; S454-I457 WeakPolarHBondContact O-CG1 3.38Å
458Y97.1Very high94.5Very high0 Ų011.6 Ų11.60%06%0.063CC..EExtended strand (participates in β ladder)trans-138.2153.1-171.3-48.3-72.7000112.4F47 H49 R207 L411 E412 I422 P455 W462F47-Y458 VanDerWaalsContact CE1-C 3.48Å; H49-Y458 AromaticContact NE2-CD1 3.61Å; H49-Y458 AromaticContact NE2-CE1 3.64Å; R207-Y458 PolarHBondContact NH1-OH 3.03Å; L411-Y458 WeakPolarHBondContact CB-O 3.21Å; E412-Y458 PolarHBondContact N-O 3.31Å; E412-Y458 PolarHBondContact O-N 3.19Å; I422-Y458 HydrophobicContact CD1-CD2 4.06Å; I422-Y458 HydrophobicContact CD1-CE2 3.73Å; I422-Y458 HydrophobicContact CG1-CE2 4.4Å; P455-Y458 WeakPolarHBondContact O-CE1 3.49Å; P455-Y458 PolarHBondContact O-OH 3.34Å; Y458-W462 AromaticContact CD1-CD2 3.74Å; Y458-W462 HydrophobicContact CD1-CD2 3.74Å; Y458-W462 AromaticContact CD1-CE2 3.69Å; Y458-W462 HydrophobicContact CD1-CE3 4.19Å; Y458-W462 HydrophobicContact CD1-CG 4.04Å; Y458-W462 HydrophobicContact CD1-CZ2 4.17Å; Y458-W462 AromaticContact CD1-NE1 3.88Å; Y458-W462 HydrophobicContact CD2-CD2 4.2Å; Y458-W462 AromaticContact CD2-CE3 3.85Å; Y458-W462 HydrophobicContact CD2-CE3 3.85Å; Y458-W462 HydrophobicContact CD2-CZ3 4.19Å; Y458-W462 HydrophobicContact CE1-CD2 4.36Å; Y458-W462 HydrophobicContact CE1-CH2 4.33Å; Y458-W462 AromaticContact CE1-CZ2 4Å; Y458-W462 HydrophobicContact CE1-CZ2 4Å; Y458-W462 HydrophobicContact CE2-CE3 4.28Å; Y458-W462 HydrophobicContact CE2-CH2 4.46Å; Y458-W462 HydrophobicContact CE2-CZ3 4.14Å; Y458-W462 HydrophobicContact CG-CB 4.37Å; Y458-W462 AromaticContact CG-CD2 3.66Å; Y458-W462 HydrophobicContact CG-CD2 3.66Å; Y458-W462 AromaticContact CG-CE3 3.8Å; Y458-W462 HydrophobicContact CG-CE3 3.8Å; Y458-W462 AromaticContact CG-CG 3.91Å; Y458-W462 HydrophobicContact CG-CG 3.91Å; Y458-W462 HydrophobicContact CG-CZ3 4.43Å
459P97.1Very high94.3Very high0 Ų016.7 Ų16.70%09%0.087CC..  trans-62.8153.3173.1-10.920.1000112.1V44 F47 C50 Y96 G461 W462V44-P459 HydrophobicContact CB-CG 4.27Å; V44-P459 HydrophobicContact CG1-CG 4.06Å; V44-P459 HydrophobicContact CG2-CB 4.02Å; V44-P459 HydrophobicContact CG2-CG 4.18Å; F47-P459 HydrophobicContact CB-CG 4.1Å; F47-P459 HydrophobicContact CD2-CB 4.05Å; F47-P459 HydrophobicContact CD2-CG 3.46Å; F47-P459 VanDerWaalsContact CD2-CG 3.46Å; F47-P459 HydrophobicContact CE2-CB 3.97Å; F47-P459 HydrophobicContact CE2-CG 3.88Å; F47-P459 HydrophobicContact CG-CG 3.81Å; C50-P459 HydrophobicContact CB-CG 4.22Å; C50-P459 WeakPolarHBondContact SG-CD 3.42Å; Y96-P459 HydrophobicContact CD2-CB 3.98Å; Y96-P459 HydrophobicContact CD2-CG 4.22Å; Y96-P459 HydrophobicContact CE2-CB 3.91Å; Y96-P459 HydrophobicContact CE2-CG 3.63Å; P459-G461 PolarHBondContact O-N 2.85Å; P459-W462 VanDerWaalsContact O-CB 3.27Å; P459-W462 WeakPolarHBondContact O-CB 3.43Å; P459-W462 PolarHBondContact O-N 3.17Å
460V97.9Very high94.2Very high0 Ų016.5 Ų16.50%09%0.086CC..THydrogen-bonded Turntrans-52.6125.8170.1168.40000110.6W30 F39 A41 Y96 K97 W410W30-V460 HydrophobicContact CB-CG1 4.29Å; W30-V460 HydrophobicContact CD2-CG1 3.75Å; W30-V460 HydrophobicContact CD2-CG2 4.39Å; W30-V460 HydrophobicContact CE3-CG1 4.36Å; W30-V460 HydrophobicContact CG-CG1 3.71Å; W30-V460 HydrophobicContact CH2-CG2 4.07Å; W30-V460 HydrophobicContact CZ2-CG2 3.86Å; W30-V460 HydrophobicContact CZ3-CG2 4.43Å; F39-V460 HydrophobicContact CZ-CG2 4.31Å; A41-V460 HydrophobicContact CB-CB 3.87Å; A41-V460 HydrophobicContact CB-CG2 3.54Å; Y96-V460 PolarHBondContact N-O 2.92Å; K97-V460 HydrophobicContact CG-CG1 4.17Å; W410-V460 HydrophobicContact CB-CG2 4.2Å
461G95.7Very high94Very high0 Ų016.6 Ų16.60%09%0.088CC..THydrogen-bonded Turntrans91.85.3-177.900000114.8N116 E412 P459 M465N116-G461 PolarHBondContact ND2-O 3.2Å; E412-G461 PolarHBondContact OE1-N 3.35Å; P459-G461 PolarHBondContact O-N 2.85Å; G461-M465 WeakPolarHBondContact O-CB 3.49Å; G461-M465 PolarHBondContact O-N 3.13Å
462W95.4Very high93.9Very high2 Ų220.5 Ų20.51%0.00810%0.104CC..Hα-helixtrans-67.5-47.4176.9-17993.2000111.7Y96 R207 E412 I422 Y458 P459 E464 M465 V466 V468Y96-W462 HydrophobicContact CD2-CB 4.23Å; Y96-W462 HydrophobicContact CE2-CB 4.01Å; Y96-W462 AromaticContact CE2-CD1 3.98Å; Y96-W462 HydrophobicContact CE2-CG 4.42Å; R207-W462 VanDerWaalsContact CD-CH2 3.44Å; R207-W462 HydrophobicContact CG-CH2 3.69Å; R207-W462 HydrophobicContact CG-CZ2 4.47Å; R207-W462 HydrophobicContact CG-CZ3 4.49Å; E412-W462 PolarHBondContact OE2-N 3.17Å; I422-W462 HydrophobicContact CD1-CE3 4.17Å; I422-W462 HydrophobicContact CD1-CZ3 3.58Å; Y458-W462 AromaticContact CD1-CD2 3.74Å; Y458-W462 HydrophobicContact CD1-CD2 3.74Å; Y458-W462 AromaticContact CD1-CE2 3.69Å; Y458-W462 HydrophobicContact CD1-CE3 4.19Å; Y458-W462 HydrophobicContact CD1-CG 4.04Å; Y458-W462 HydrophobicContact CD1-CZ2 4.17Å; Y458-W462 AromaticContact CD1-NE1 3.88Å; Y458-W462 HydrophobicContact CD2-CD2 4.2Å; Y458-W462 AromaticContact CD2-CE3 3.85Å; Y458-W462 HydrophobicContact CD2-CE3 3.85Å; Y458-W462 HydrophobicContact CD2-CZ3 4.19Å; Y458-W462 HydrophobicContact CE1-CD2 4.36Å; Y458-W462 HydrophobicContact CE1-CH2 4.33Å; Y458-W462 AromaticContact CE1-CZ2 4Å; Y458-W462 HydrophobicContact CE1-CZ2 4Å; Y458-W462 HydrophobicContact CE2-CE3 4.28Å; Y458-W462 HydrophobicContact CE2-CH2 4.46Å; Y458-W462 HydrophobicContact CE2-CZ3 4.14Å; Y458-W462 HydrophobicContact CG-CB 4.37Å; Y458-W462 AromaticContact CG-CD2 3.66Å; Y458-W462 HydrophobicContact CG-CD2 3.66Å; Y458-W462 AromaticContact CG-CE3 3.8Å; Y458-W462 HydrophobicContact CG-CE3 3.8Å; Y458-W462 AromaticContact CG-CG 3.91Å; Y458-W462 HydrophobicContact CG-CG 3.91Å; Y458-W462 HydrophobicContact CG-CZ3 4.43Å; P459-W462 VanDerWaalsContact O-CB 3.27Å; P459-W462 WeakPolarHBondContact O-CB 3.43Å; P459-W462 PolarHBondContact O-N 3.17Å; W462-E464 VanDerWaalsContact C-N 3.31Å; W462-E464 PolarHBondContact O-N 3Å; W462-M465 VanDerWaalsContact CD1-CE 3.48Å; W462-M465 HydrophobicContact CG-CE 4.21Å; W462-M465 WeakPolarHBondContact O-CA 3.43Å; W462-M465 WeakPolarHBondContact O-CB 3.39Å; W462-M465 PolarHBondContact O-N 2.84Å; W462-V466 HydrophobicContact CD2-CG1 4.46Å; W462-V466 HydrophobicContact CD2-CG2 3.93Å; W462-V466 HydrophobicContact CE3-CG2 3.74Å; W462-V466 HydrophobicContact CH2-CG2 3.45Å; W462-V466 VanDerWaalsContact CH2-CG2 3.45Å; W462-V466 HydrophobicContact CZ2-CB 4.39Å; W462-V466 HydrophobicContact CZ2-CG1 3.99Å; W462-V466 HydrophobicContact CZ2-CG2 3.69Å; W462-V466 HydrophobicContact CZ3-CG2 3.49Å; W462-V466 VanDerWaalsContact CZ3-CG2 3.49Å; W462-V466 WeakPolarHBondContact O-CG2 3.42Å; W462-V466 PolarHBondContact O-N 3.38Å; W462-V468 HydrophobicContact CH2-CG2 4.13Å; W462-V468 HydrophobicContact CZ3-CB 4.07Å; W462-V468 HydrophobicContact CZ3-CG1 4.38Å; W462-V468 HydrophobicContact CZ3-CG2 4.01Å
463C94.3Very high93.6Very high1 Ų121 Ų211%0.00711%0.107CC..Hα-helixtrans-54.4-46.3176.7-86.80000112.1E412 G467 V468 L470E412-C463 VanDerWaalsContact OE2-CB 3.3Å; E412-C463 WeakPolarHBondContact OE2-CB 3.49Å; E412-C463 PolarHBondContact OE2-N 3.35Å; E412-C463 PolarHBondContact OE2-SG 2.84Å; E412-C463 VanDerWaalsContact OE2-SG 3.37Å; C463-G467 WeakPolarHBondContact O-CA 3.43Å; C463-G467 PolarHBondContact O-N 3.26Å; C463-V468 CarbonylContact C-O 3.51Å; C463-V468 VanDerWaalsContact CB-O 3.3Å; C463-V468 WeakPolarHBondContact CB-O 3.1Å; C463-V468 PolarHBondContact O-N 2.81Å; C463-L470 HydrophobicContact CB-CB 3.81Å
464E91.9Very high92.8Very high57 Ų5720.5 Ų20.527%0.26611%0.107SC..Hα-helixtrans-59.8-46.8173.2176.7-166.6-148.800111P15 I18 K97 N116 W462 V466 G467P15-E464 HydrophobicContact CG-CG 4.39Å; P15-E464 VanDerWaalsContact CG-O 3.32Å; P15-E464 WeakPolarHBondContact CG-O 3.49Å; I18-E464 WeakPolarHBondContact CD1-O 3.07Å; K97-E464 WeakPolarHBondContact CE-OE2 3.37Å; K97-E464 IonicContact NZ-OE1 3.18Å; K97-E464 PolarHBondContact NZ-OE1 3.13Å; K97-E464 IonicContact NZ-OE2 3.81Å; K97-E464 PolarHBondContact NZ-OE2 3.42Å; N116-E464 WeakPolarHBondContact CB-OE2 2.94Å; N116-E464 PolarHBondContact ND2-OE2 3.07Å; W462-E464 VanDerWaalsContact C-N 3.31Å; W462-E464 PolarHBondContact O-N 3Å; E464-V466 PolarHBondContact O-N 3.04Å; E464-G467 PolarHBondContact O-N 3.12Å
465M90.7Very high91Very high0 Ų027.3 Ų27.30%014%0.142CC..Hα-helixtrans-59.7-43.1-178.3175.9-1746800112.7P15 T17 P51 Y96 C118 V170 G461 W462P15-M465 VanDerWaalsContact CB-O 3.32Å; P15-M465 WeakPolarHBondContact CB-O 3.26Å; T17-M465 PolarHBondContact OG1-O 3Å; P51-M465 HydrophobicContact CB-CE 4.26Å; P51-M465 HydrophobicContact CB-SD 4.39Å; P51-M465 HydrophobicContact CG-CE 3.69Å; P51-M465 HydrophobicContact CG-SD 4.39Å; Y96-M465 HydrophobicContact CD1-SD 4.25Å; Y96-M465 HydrophobicContact CD2-CE 4.43Å; Y96-M465 HydrophobicContact CD2-SD 4.41Å; Y96-M465 HydrophobicContact CE1-CE 4.45Å; Y96-M465 HydrophobicContact CE1-SD 3.96Å; Y96-M465 HydrophobicContact CE2-CE 3.75Å; Y96-M465 HydrophobicContact CE2-SD 4.11Å; Y96-M465 HydrophobicContact CG-SD 4.47Å; C118-M465 HydrophobicContact CB-CG 3.73Å; C118-M465 HydrophobicContact CB-SD 3.4Å; C118-M465 WeakPolarHBondContact CB-SD 3.47Å; V170-M465 HydrophobicContact CG1-SD 4.36Å; G461-M465 WeakPolarHBondContact O-CB 3.49Å; G461-M465 PolarHBondContact O-N 3.13Å; W462-M465 VanDerWaalsContact CD1-CE 3.48Å; W462-M465 HydrophobicContact CG-CE 4.21Å; W462-M465 WeakPolarHBondContact O-CA 3.43Å; W462-M465 WeakPolarHBondContact O-CB 3.39Å; W462-M465 PolarHBondContact O-N 2.84Å
466V90.2Very high88.5Confident1 Ų129.4 Ų29.41%0.00616%0.16CC..Hα-helixtrans-94.2-8.7-175.5-60.50000114.2V204 W462 E464 V468V204-V466 HydrophobicContact CG1-CB 4.4Å; V204-V466 WeakPolarHBondContact CG1-O 3.47Å; W462-V466 HydrophobicContact CD2-CG1 4.46Å; W462-V466 HydrophobicContact CD2-CG2 3.93Å; W462-V466 HydrophobicContact CE3-CG2 3.74Å; W462-V466 HydrophobicContact CH2-CG2 3.45Å; W462-V466 VanDerWaalsContact CH2-CG2 3.45Å; W462-V466 HydrophobicContact CZ2-CB 4.39Å; W462-V466 HydrophobicContact CZ2-CG1 3.99Å; W462-V466 HydrophobicContact CZ2-CG2 3.69Å; W462-V466 HydrophobicContact CZ3-CG2 3.49Å; W462-V466 VanDerWaalsContact CZ3-CG2 3.49Å; W462-V466 WeakPolarHBondContact O-CG2 3.42Å; W462-V466 PolarHBondContact O-N 3.38Å; E464-V466 PolarHBondContact O-N 3.04Å; V466-V468 HydrophobicContact CG2-CB 3.95Å; V466-V468 HydrophobicContact CG2-CG2 3.54Å
467G88.8Confident85.7Confident11 Ų1137.5 Ų37.511%0.11320%0.202CC..THydrogen-bonded Turntrans76.332.6-176.800000113.4Y22 C463 E464Y22-G467 VanDerWaalsContact CD2-O 3.25Å; Y22-G467 WeakPolarHBondContact CD2-O 3.35Å; C463-G467 WeakPolarHBondContact O-CA 3.43Å; C463-G467 PolarHBondContact O-N 3.26Å; E464-G467 PolarHBondContact O-N 3.12Å
468V90.5Very high82.9Confident24 Ų2440.3 Ų40.315%0.14522%0.221CC..PPolyproline II helixtrans-95.7141.1170.9174.50000108.5V204 I422 W462 C463 V466 L470V204-V468 HydrophobicContact CB-CG2 3.88Å; V204-V468 HydrophobicContact CG1-CG2 3.55Å; I422-V468 HydrophobicContact CD1-CG1 3.82Å; W462-V468 HydrophobicContact CH2-CG2 4.13Å; W462-V468 HydrophobicContact CZ3-CB 4.07Å; W462-V468 HydrophobicContact CZ3-CG1 4.38Å; W462-V468 HydrophobicContact CZ3-CG2 4.01Å; C463-V468 CarbonylContact C-O 3.51Å; C463-V468 VanDerWaalsContact CB-O 3.3Å; C463-V468 WeakPolarHBondContact CB-O 3.1Å; C463-V468 PolarHBondContact O-N 2.81Å; V466-V468 HydrophobicContact CG2-CB 3.95Å; V466-V468 HydrophobicContact CG2-CG2 3.54Å; V468-L470 PolarHBondContact O-N 2.62Å
469Q92.1Very high80.4Confident110 Ų11045.8 Ų45.851%0.51425%0.247SC..PPolyproline II helixtrans-67.7126175.8-172.9178.31.600110.4D26D26-Q469 PolarHBondContact O-NE2 2.93Å
470L95.2Very high77.9Confident2 Ų250.4 Ų50.41%0.0127%0.272CS..BIsolated β-bridgetrans-93.1119.2168-17458.3000108.3T27 Y28 W30 E412 I422 P424 C463 V468T27-L470 PolarHBondContact OG1-N 3.19Å; Y28-L470 WeakPolarHBondContact CB-O 3.42Å; Y28-L470 HydrophobicContact CD1-CD2 3.7Å; Y28-L470 HydrophobicContact CD1-CG 4.2Å; Y28-L470 PolarHBondContact N-O 2.84Å; W30-L470 VanDerWaalsContact NE1-CD2 3.32Å; E412-L470 HydrophobicContact CB-CD1 4.26Å; E412-L470 HydrophobicContact CG-CD1 3.88Å; E412-L470 HydrophobicContact CG-CD2 4.13Å; I422-L470 HydrophobicContact CB-CD1 4.41Å; I422-L470 HydrophobicContact CG2-CD1 3.79Å; P424-L470 HydrophobicContact CG-CD1 4.19Å; P424-L470 HydrophobicContact CG-CD2 4.16Å; P424-L470 HydrophobicContact CG-CG 4.05Å; C463-L470 HydrophobicContact CB-CB 3.81Å; V468-L470 PolarHBondContact O-N 2.62Å
471S94.4Very high75.4Confident14 Ų1454 Ų5410%0.09830%0.297CS..PPolyproline II helixtrans-65.6146.6-178.2-69.40000111.5E421 I422 F423 P424E421-S471 PolarHBondContact OE2-OG 2.95Å; E421-S471 VanDerWaalsContact OE2-OG 3.07Å; I422-S471 VanDerWaalsContact O-CB 3.28Å; I422-S471 WeakPolarHBondContact O-CB 3.33Å; I422-S471 PolarHBondContact O-N 3.09Å; I422-S471 PolarHBondContact O-OG 2.75Å; F423-S471 VanDerWaalsContact CZ-CB 3.45Å; P424-S471 WeakPolarHBondContact CD-O 3.18Å
472F92.1Very high73Confident109 Ų10955.8 Ų55.848%0.47831%0.306SS..PPolyproline II helixtrans-69.3142.8175.1-70.2-89.8000111.4D26 T27 Y28 N474D26-F472 WeakPolarHBondContact O-CE2 3.13Å; T27-F472 WeakPolarHBondContact O-CZ 3.46Å; Y28-F472 AromaticContact CD2-CD1 3.93Å; Y28-F472 HydrophobicContact CD2-CD1 3.93Å; Y28-F472 HydrophobicContact CD2-CE1 4.38Å; F472-N474 PolarHBondContact O-N 3.08Å
473P88.3Confident70.5Confident15 Ų1562.7 Ų62.710%0.09733%0.332CS..PPolyproline II helixtrans-52.8138.5167.1-2534.2000110.4Y28 P424 D440 N475Y28-P473 HydrophobicContact CD2-CG 4.09Å; Y28-P473 HydrophobicContact CE2-CG 3.82Å; P424-P473 HydrophobicContact CG-CG 4.25Å; D440-P473 HydrophobicContact CB-CB 4.05Å; D440-P473 HydrophobicContact CB-CG 4.11Å; D440-P473 WeakPolarHBondContact O-CA 3.16Å; D440-P473 WeakPolarHBondContact OD2-CB 3.25Å; D440-P473 WeakPolarHBondContact OD2-CG 3.45Å; P473-N475 PolarHBondContact O-N 3.04Å
474N77.1Confident67.8Low44 Ų4470.7 Ų70.724%0.23536%0.362CS..  trans-73.999.5-176.6-173.418.9000110.9D440 G441 Y442 F472 A476D440-N474 PolarHBondContact O-N 3.15Å; G441-N474 CarbonylContact C-O 3.51Å; Y442-N474 HydrophobicContact CD1-CB 4.18Å; Y442-N474 HydrophobicContact CD2-CB 4.17Å; Y442-N474 HydrophobicContact CE1-CB 3.73Å; Y442-N474 HydrophobicContact CE2-CB 3.73Å; Y442-N474 HydrophobicContact CG-CB 4.39Å; Y442-N474 VanDerWaalsContact CZ-CB 3.49Å; F472-N474 PolarHBondContact O-N 3.08Å; N474-A476 VanDerWaalsContact C-N 3.26Å; N474-A476 PolarHBondContact ND2-O 3.28Å; N474-A476 VanDerWaalsContact ND2-O 3.1Å; N474-A476 PolarHBondContact O-N 3.33Å; N474-A476 PolarHBondContact OD1-N 3.01Å; N474-A476 VanDerWaalsContact OD1-N 3.12Å; N474-A476 PolarHBondContact OD1-O 3.3Å
475N55.9Low65.2Low157 Ų15776.5 Ų76.584%0.8439%0.386SS*.  trans-86.48.6174.6-71.2-21.3000113.2P473P473-N475 PolarHBondContact O-N 3.04Å
476A41Very low62.7Low60 Ų6081 Ų8150%0.49641%0.407SS..SBendtrans-125.9125.4-175.300000113.3N474 S478N474-A476 VanDerWaalsContact C-N 3.26Å; N474-A476 PolarHBondContact ND2-O 3.28Å; N474-A476 VanDerWaalsContact ND2-O 3.1Å; N474-A476 PolarHBondContact O-N 3.33Å; N474-A476 PolarHBondContact OD1-N 3.01Å; N474-A476 VanDerWaalsContact OD1-N 3.12Å; N474-A476 PolarHBondContact OD1-O 3.3Å; A476-S478 PolarHBondContact O-N 3.36Å
477I36.7Very low60Low181 Ų18189.6 Ų89.693%0.92845%0.447SS*.  trans-52.889174.1-56.3160.1000110.3
478S38.9Very low57.3Low58 Ų5897.4 Ų97.441%0.40648%0.481SS..  trans-155.169.1157.771.20000112A476 N480 S481A476-S478 PolarHBondContact O-N 3.36Å; S478-N480 PolarHBondContact O-N 3.11Å; S478-S481 PolarHBondContact O-N 3.38Å; S478-S481 PolarHBondContact O-OG 3.46Å
479E44.8Very low54.5Low115 Ų115104.4 Ų104.454%0.53751%0.512SS..THydrogen-bonded Turntrans-51.8-24.4164.9-67.3-175.313800112.1S443 S481 M482 W483S443-E479 WeakPolarHBondContact CB-OE1 3.34Å; S443-E479 PolarHBondContact OG-OE1 2.86Å; E479-S481 VanDerWaalsContact C-N 3.31Å; E479-S481 PolarHBondContact O-N 3.29Å; E479-M482 PolarHBondContact O-N 3.48Å; E479-W483 VanDerWaalsContact O-CD1 3.22Å
480N43.9Very low51.6Low98 Ų98104.4 Ų104.452%0.52452%0.519SS..Hα-helixtrans-69-15.7-179.5-85-21.1000115.7S478 R484S478-N480 PolarHBondContact O-N 3.11Å; N480-R484 VanDerWaalsContact O-CB 3.3Å; N480-R484 WeakPolarHBondContact O-CB 3.29Å; N480-R484 WeakPolarHBondContact O-CG 3.37Å
481S45.6Very low48.5Very low75 Ų75109.6 Ų109.652%0.52455%0.553SS.*Hα-helixtrans-77.9-25.9178.968.30000112.9S478 E479S478-S481 PolarHBondContact O-N 3.38Å; S478-S481 PolarHBondContact O-OG 3.46Å; E479-S481 VanDerWaalsContact C-N 3.31Å; E479-S481 PolarHBondContact O-N 3.29Å
482M46.2Very low45.5Very low38 Ų38117.2 Ų117.219%0.18759%0.587CS.*Hα-helixtrans-76.3-35.2-175-149.7173.7-63.900112.1Y442 V446 E479Y442-M482 HydrophobicContact CD1-CE 3.44Å; Y442-M482 VanDerWaalsContact CD1-CE 3.44Å; Y442-M482 HydrophobicContact CE1-CE 3.37Å; Y442-M482 HydrophobicContact CG-CE 4.48Å; V446-M482 HydrophobicContact CB-CE 4.48Å; V446-M482 HydrophobicContact CB-SD 4.33Å; V446-M482 HydrophobicContact CG1-CE 3.66Å; V446-M482 HydrophobicContact CG1-SD 3.48Å; V446-M482 WeakPolarHBondContact CG1-SD 3.43Å; V446-M482 HydrophobicContact CG2-CE 3.97Å; V446-M482 HydrophobicContact CG2-SD 3.87Å; E479-M482 PolarHBondContact O-N 3.48Å
483W42.4Very low42.7Very low146 Ų146117.5 Ų117.555%0.55360%0.6SS**Hα-helixtrans-93.4-16.3-178.2-50.6106.8000114E479E479-W483 VanDerWaalsContact O-CD1 3.22Å
484R37.6Very low40Very low170 Ų170121.2 Ų121.264%0.64263%0.632SS**Hα-helixtrans-86.5-21.4-173-89.8-174.5-177165.52.8115.8N480 E486N480-R484 VanDerWaalsContact O-CB 3.3Å; N480-R484 WeakPolarHBondContact O-CB 3.29Å; N480-R484 WeakPolarHBondContact O-CG 3.37Å; R484-E486 VanDerWaalsContact C-N 3.34Å; R484-E486 PolarHBondContact O-N 3.2Å
485K36.2Very low37.9Very low178 Ų178130.6 Ų130.677%0.77466%0.664SS**SBendtrans-74.7-21.4-176.3-81.9-170.1173.2-174.70113.9
486E38.7Very low36.8Very low94 Ų94130.4 Ų130.444%0.43966%0.661SS.*THydrogen-bonded Turntrans-85.8-17179.9-76-177147.100114.8Q316 R484 Q488Q316-E486 VanDerWaalsContact NE2-CD 3.34Å; Q316-E486 PolarHBondContact NE2-OE1 3.46Å; Q316-E486 PolarHBondContact NE2-OE2 2.94Å; R484-E486 VanDerWaalsContact C-N 3.34Å; R484-E486 PolarHBondContact O-N 3.2Å; E486-Q488 VanDerWaalsContact C-N 3.35Å
487Q34.6Very low36.5Very low183 Ų183133.2 Ų133.286%0.85568%0.675SS**THydrogen-bonded Turntrans-86.6-0.8177.3-67.9-158.8-6.800114.4
488Q32.1Very low36.7Very low175 Ų175130 Ų13082%0.81867%0.668SS**SBendtrans-113.1-5.5-177.6-78-173.6-14.500115.4E486E486-Q488 VanDerWaalsContact C-N 3.35Å
489E30.3Very low36.8Very low170 Ų170134.2 Ų134.279%0.79469%0.686SS**SBendtrans-12619.5-174.3-73.6-170.5167.900115.7P491E489-P491 VanDerWaalsContact O-CD 3.25Å; E489-P491 WeakPolarHBondContact O-CD 3.42Å
490V32.3Very low36.4Very low110 Ų110138.8 Ų138.867%0.66770%0.704SS**  trans-91.7103.6162.3-170.10000107.9H492V490-H492 PolarHBondContact O-N 3.31Å; V490-H492 VanDerWaalsContact O-N 3.1Å
491P29.8Very low36.2Very low112 Ų112145.1 Ų145.173%0.72774%0.738SS**PPolyproline II helixtrans-66.3116.116814.2-3.1000106.3E489E489-P491 VanDerWaalsContact O-CD 3.25Å; E489-P491 WeakPolarHBondContact O-CD 3.42Å
492H31Very low35.7Very low173 Ų173148.6 Ų148.680%0.80175%0.748SS**PPolyproline II helixtrans-50.6132167-75.7-29.3000108.7V490 A494V490-H492 PolarHBondContact O-N 3.31Å; V490-H492 VanDerWaalsContact O-N 3.1Å; H492-A494 PolarHBondContact O-N 3.47Å; H492-A494 VanDerWaalsContact O-N 3.14Å
493P33.8Very low35.2Very low116 Ų116154.4 Ų154.475%0.75378%0.778SS**PPolyproline II helixtrans-55.1128174.321.2-30.1000107.9R495P493-R495 PolarHBondContact O-N 3.19Å
494A31.6Very low34.8Very low93 Ų93154.9 Ų154.977%0.76979%0.79SS**PPolyproline II helixtrans-50119.5176.100000108H492 I496H492-A494 PolarHBondContact O-N 3.47Å; H492-A494 VanDerWaalsContact O-N 3.14Å; A494-I496 PolarHBondContact O-N 2.9Å
495R31.8Very low34.6Very low240 Ų240154 Ų15491%0.90680%0.799SS**  trans-53.7114.2173.9-78-178.2177.5-175.5-1.2107.6P493 P497P493-R495 PolarHBondContact O-N 3.19Å; R495-P497 WeakPolarHBondContact O-CD 3.5Å
496I34.1Very low34.5Very low154 Ų154152.5 Ų152.579%0.7980%0.801SS**  trans-56122.4164-60.3170.3000105.7A494 S498A494-I496 PolarHBondContact O-N 2.9Å; I496-S498 PolarHBondContact O-N 3.01Å
497P34.8Very low34.3Very low119 Ų119156.4 Ų156.477%0.77383%0.825SS**  trans-64.1110.1174.5-13.827.3000107.9R495 D499R495-P497 WeakPolarHBondContact O-CD 3.5Å; P497-D499 PolarHBondContact O-N 2.78Å; P497-D499 VanDerWaalsContact O-N 3.13Å
498S40.6Very low34.2Very low112 Ų112154.5 Ų154.578%0.78382%0.823SS**  trans-66.1107.9164.4540000108.2I496I496-S498 PolarHBondContact O-N 3.01Å
499D41.1Very low34.4Very low148 Ų148152.9 Ų152.979%0.79182%0.823SS**  trans27.8122.2157.9-63.2-35.2000119.9P497P497-D499 PolarHBondContact O-N 2.78Å; P497-D499 VanDerWaalsContact O-N 3.13Å
500K35.4Very low34.7Very low211 Ų211151.5 Ų151.592%0.91783%0.826SS**  trans-103.798.4137.5-77.7-173.3177.7-179.10108.1
501N40.4Very low34.9Very low230 Ų230155.3 Ų155.3100%1.2384%0.84SS**  trans-138.30148-102.5-16.4000108.3

Retrieved 501 of 501 residues in 312.3 ms (Link to these results)

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