A0A096NIL6_PAPAN Loading...

Heat shock protein 90 alpha family class B member 1

AlphaFold DB (Q9GKX8), UniProt , Accession A0A096NIL6, Species PAPAN (Papio anubis, Olive baboon), Gene HSP90AB1, Length 724 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.8Very low58.7Low233 Ų233166.4 Ų166.4100%1.14885%0.852SS**  01180-70.9172.466.800105.7
2P58.8Low60.9Low130 Ų130163.1 Ų163.184%0.84485%0.845SS**  trans-74.9128.9-177.73.213.5000109.2
3E57.5Low63.2Low185 Ų185162 Ų16286%0.86483%0.834SS**  trans-67.5130.3172.6-72.8173.9154.400109.9V5E3-V5 PolarHBondContact O-N 3.48Å
4E53.8Low65.2Low180 Ų180159.7 Ų159.784%0.84183%0.831SS**  trans-66114.5172.5-72.6176.6155.700109.6H6E4-H6 PolarHBondContact O-N 3.29Å
5V58.2Low67Low117 Ų117159.7 Ų159.771%0.70982%0.822SS**  trans-78.5103.1171.3-1760000107.7E3 H7E3-V5 PolarHBondContact O-N 3.48Å; V5-H7 PolarHBondContact O-N 3.01Å; V5-H7 VanDerWaalsContact O-N 3.11Å
6H55Low68.6Low178 Ų178154.7 Ų154.782%0.82481%0.812SS**  trans-63.6105162.3-87.1-64.6000108.7E4 G8E4-H6 PolarHBondContact O-N 3.29Å; H6-G8 PolarHBondContact O-N 3.05Å; H6-G8 VanDerWaalsContact O-N 3.11Å
7H57.3Low70Confident174 Ų174158.1 Ų158.181%0.80682%0.819SS**  trans-66.2103.8159.6-74.3-48.5000107.7V5 E9V5-H7 PolarHBondContact O-N 3.01Å; V5-H7 VanDerWaalsContact O-N 3.11Å; H7-E9 PolarHBondContact O-N 3.41Å
8G53.2Low71Confident67 Ų67158.9 Ų158.969%0.69182%0.818SS**PPolyproline II helixtrans-62.3127.4165.800000108.8H6 E10H6-G8 PolarHBondContact O-N 3.05Å; H6-G8 VanDerWaalsContact O-N 3.11Å; G8-E10 PolarHBondContact O-N 2.97Å
9E56.3Low71.8Confident200 Ų200154.2 Ų154.294%0.93581%0.806SS**PPolyproline II helixtrans-58.8118.9170.3-67.8176.3156.500108.4H7H7-E9 PolarHBondContact O-N 3.41Å
10E73.8Confident72.7Confident181 Ų181152.4 Ų152.485%0.84679%0.793SS**PPolyproline II helixtrans-66152.9175.7-68.3-170163.900111.1G8 V12G8-E10 PolarHBondContact O-N 2.97Å; E10-V12 PolarHBondContact O-N 3.33Å
11E77.5Confident73.3Confident185 Ų185150 Ų15086%0.86478%0.78SS**PPolyproline II helixtrans-62.6123.9-178.4-162.7172.5-166.600110.7E13E11-E13 PolarHBondContact O-N 2.88Å
12V84.6Confident75.1Confident127 Ų127141.8 Ų141.877%0.7775%0.749SS**  trans-79.1112.7-178.1177.90000110E10E10-V12 PolarHBondContact O-N 3.33Å
13E90.8Very high76.5Confident149 Ų149141 Ų14170%0.69674%0.735SS**  trans-85.8131.1171.8-64.5-176.1-176.600111.4E11 F15E11-E13 PolarHBondContact O-N 2.88Å; E13-F15 HydrophobicContact CB-CE2 3.63Å; E13-F15 HydrophobicContact CB-CZ 4.05Å; E13-F15 VanDerWaalsContact OE2-CZ 3.25Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.48Å
14T90.9Very high78Confident130 Ų130134.7 Ų134.780%0.79871%0.707SS**  trans-112127.3179.4-60.60000110.4
15F92.4Very high79.6Confident159 Ų159127.1 Ų127.170%0.69767%0.671SS**  trans-119.9146.7177.7-59.3-89.1000110.8E13E13-F15 HydrophobicContact CB-CE2 3.63Å; E13-F15 HydrophobicContact CB-CZ 4.05Å; E13-F15 VanDerWaalsContact OE2-CZ 3.25Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.48Å
16A92.4Very high81Confident80 Ų80124.4 Ų124.466%0.66166%0.657SS**  trans-80142.317100000110.6Q18A16-Q18 PolarHBondContact O-N 3.18Å
17F92.4Very high82.6Confident212 Ų212120 Ų12093%0.9364%0.64SS**  trans-58.9137172.5-70.9-78.1000111.1
18Q88.4Confident84Confident173 Ų173111.8 Ų111.881%0.80860%0.602SS**  trans-114.6154.4173-61.9-61.6-49.900109.1A16A16-Q18 PolarHBondContact O-N 3.18Å
19A87.2Confident85.6Confident70 Ų70109.4 Ų109.458%0.57957%0.573SS**  trans-132.4131.7176.100000110.6I21A19-I21 PolarHBondContact O-N 3.3Å; A19-I21 VanDerWaalsContact O-N 3.16Å
20E88.5Confident86.9Confident118 Ų118105.1 Ų105.155%0.55156%0.556SS**  trans-78.498.4175.1-171.1177.9152.800109.8A22 Q23 L24E20-A22 VanDerWaalsContact C-N 3.25Å; E20-A22 PolarHBondContact O-N 2.9Å; E20-Q23 HydrophobicContact CB-CB 4.41Å; E20-Q23 VanDerWaalsContact CD-CD 3.49Å; E20-Q23 HydrophobicContact CG-CB 4.38Å; E20-Q23 HydrophobicContact CG-CG 4.21Å; E20-Q23 PolarHBondContact O-N 3.03Å; E20-Q23 VanDerWaalsContact O-N 3.15Å; E20-Q23 WeakPolarHBondContact OE1-CG 3.47Å; E20-Q23 PolarHBondContact OE1-NE2 2.96Å; E20-Q23 PolarHBondContact OE2-NE2 3.45Å; E20-L24 PolarHBondContact O-N 3.17Å
21I86.3Confident87.5Confident101 Ų101100.7 Ų100.752%0.51854%0.542SS..Hα-helixtrans-56.8-38.3-171.9-63.1175.5000112.1A19 L24 M25 I105A19-I21 PolarHBondContact O-N 3.3Å; A19-I21 VanDerWaalsContact O-N 3.16Å; I21-L24 PolarHBondContact O-N 3.49Å; I21-M25 WeakPolarHBondContact O-CB 3.42Å; I21-M25 PolarHBondContact O-N 2.81Å; I21-I105 HydrophobicContact CG2-CD1 4.04Å
22A83Confident87.9Confident61 Ų6194.9 Ų94.950%0.50451%0.514SS..Hα-helixtrans-62-45.3179.600000112.2E20 S26E20-A22 VanDerWaalsContact C-N 3.25Å; E20-A22 PolarHBondContact O-N 2.9Å; A22-S26 PolarHBondContact O-N 3.25Å
23Q87.3Confident88Confident114 Ų11489.7 Ų89.753%0.53348%0.48SS..Hα-helixtrans-69.3-41.6175.1-72.3-176.724.200111.7E20 M25 S26 L27E20-Q23 HydrophobicContact CB-CB 4.41Å; E20-Q23 VanDerWaalsContact CD-CD 3.49Å; E20-Q23 HydrophobicContact CG-CB 4.38Å; E20-Q23 HydrophobicContact CG-CG 4.21Å; E20-Q23 PolarHBondContact O-N 3.03Å; E20-Q23 VanDerWaalsContact O-N 3.15Å; E20-Q23 WeakPolarHBondContact OE1-CG 3.47Å; E20-Q23 PolarHBondContact OE1-NE2 2.96Å; E20-Q23 PolarHBondContact OE2-NE2 3.45Å; Q23-M25 VanDerWaalsContact C-N 3.34Å; Q23-M25 PolarHBondContact O-N 2.83Å; Q23-S26 WeakPolarHBondContact O-CB 3.36Å; Q23-S26 PolarHBondContact O-N 3.36Å; Q23-L27 WeakPolarHBondContact O-CG 3.3Å; Q23-L27 PolarHBondContact O-N 2.96Å
24L88.6Confident87.7Confident53 Ų5387.6 Ų87.628%0.27748%0.483SS..Hα-helixtrans-62-41.2179.1-176.759.1000112E20 I21 L27 I28 I105E20-L24 PolarHBondContact O-N 3.17Å; I21-L24 PolarHBondContact O-N 3.49Å; L24-L27 PolarHBondContact O-N 2.67Å; L24-I28 HydrophobicContact CD1-CD1 4.49Å; L24-I28 HydrophobicContact CG-CD1 4.18Å; L24-I28 WeakPolarHBondContact O-CG1 3.42Å; L24-I28 PolarHBondContact O-N 2.98Å; L24-I105 HydrophobicContact CB-CD1 4.43Å; L24-I105 HydrophobicContact CD2-CB 4.4Å; L24-I105 HydrophobicContact CD2-CD1 3.95Å; L24-I105 HydrophobicContact CD2-CG2 3.82Å; L24-I105 HydrophobicContact CG-CD1 4.06Å; L24-I105 HydrophobicContact CG-CG2 4.34Å
25M87.8Confident87.7Confident20 Ų2083.9 Ų83.910%0.09946%0.458CS..Hα-helixtrans-61.8-45175-170.960.473.800111.1I21 Q23 L27 I28 I29 I105 Y134 A161I21-M25 WeakPolarHBondContact O-CB 3.42Å; I21-M25 PolarHBondContact O-N 2.81Å; Q23-M25 VanDerWaalsContact C-N 3.34Å; Q23-M25 PolarHBondContact O-N 2.83Å; M25-L27 VanDerWaalsContact C-N 3.3Å; M25-L27 PolarHBondContact O-N 3.35Å; M25-I28 PolarHBondContact O-N 3.37Å; M25-I29 HydrophobicContact CG-CD1 3.86Å; M25-I29 VanDerWaalsContact O-CG1 3.31Å; M25-I29 WeakPolarHBondContact O-CG1 3.1Å; M25-I29 PolarHBondContact O-N 2.92Å; M25-I29 HydrophobicContact SD-CD1 4.16Å; M25-I105 HydrophobicContact CE-CD1 3.87Å; M25-I105 HydrophobicContact CE-CG1 4.13Å; M25-Y134 HydrophobicContact CE-CD1 3.49Å; M25-Y134 VanDerWaalsContact CE-CD1 3.49Å; M25-Y134 HydrophobicContact CE-CE1 3.54Å; M25-Y134 HydrophobicContact CE-CG 4.01Å; M25-Y134 HydrophobicContact SD-CD1 3.72Å; M25-Y134 HydrophobicContact SD-CE1 4.39Å; M25-Y134 HydrophobicContact SD-CG 3.84Å; M25-A161 HydrophobicContact CG-CB 4.1Å
26S87.2Confident87.7Confident60 Ų6080.1 Ų80.142%0.4244%0.441SS..Hα-helixtrans-59.7-39.4174.5-177.20000112.2A22 Q23 I29 N30A22-S26 PolarHBondContact O-N 3.25Å; Q23-S26 WeakPolarHBondContact O-CB 3.36Å; Q23-S26 PolarHBondContact O-N 3.36Å; S26-I29 PolarHBondContact O-N 3.04Å; S26-N30 VanDerWaalsContact O-CB 3.23Å; S26-N30 WeakPolarHBondContact O-CB 3.35Å; S26-N30 PolarHBondContact O-N 2.75Å; S26-N30 PolarHBondContact O-ND2 2.65Å; S26-N30 VanDerWaalsContact O-ND2 3.09Å; S26-N30 PolarHBondContact OG-ND2 2.99Å; S26-N30 VanDerWaalsContact OG-ND2 3.1Å
27L89Confident87.8Confident86 Ų8676.6 Ų76.645%0.4541%0.411SS..Hα-helixtrans-65.5-45.4176.1-71.9171.8000112.2Q23 L24 M25 I29 N30 T31 F32Q23-L27 WeakPolarHBondContact O-CG 3.3Å; Q23-L27 PolarHBondContact O-N 2.96Å; L24-L27 PolarHBondContact O-N 2.67Å; M25-L27 VanDerWaalsContact C-N 3.3Å; M25-L27 PolarHBondContact O-N 3.35Å; L27-I29 VanDerWaalsContact C-N 3.29Å; L27-I29 PolarHBondContact O-N 2.71Å; L27-N30 PolarHBondContact O-N 3.11Å; L27-T31 HydrophobicContact CD2-CG2 3.99Å; L27-T31 WeakPolarHBondContact O-CA 3.46Å; L27-T31 WeakPolarHBondContact O-CB 3.32Å; L27-T31 PolarHBondContact O-N 3.46Å; L27-T31 PolarHBondContact O-OG1 3.31Å; L27-F32 PolarHBondContact O-N 3.3Å
28I86.8Confident87.9Confident1 Ų166.5 Ų66.51%0.00537%0.367CS..Hα-helixtrans-60.1-42.8178.4-68.5165.5000110.7L24 M25 F32 I105 V131L24-I28 HydrophobicContact CD1-CD1 4.49Å; L24-I28 HydrophobicContact CG-CD1 4.18Å; L24-I28 WeakPolarHBondContact O-CG1 3.42Å; L24-I28 PolarHBondContact O-N 2.98Å; M25-I28 PolarHBondContact O-N 3.37Å; I28-F32 HydrophobicContact CB-CD2 4.37Å; I28-F32 HydrophobicContact CG1-CD2 4.01Å; I28-F32 HydrophobicContact CG1-CE2 3.76Å; I28-F32 HydrophobicContact CG1-CZ 4.23Å; I28-F32 HydrophobicContact CG2-CD2 4.43Å; I28-I105 HydrophobicContact CD1-CD1 4.16Å; I28-I105 HydrophobicContact CD1-CG1 4.43Å; I28-I105 HydrophobicContact CD1-CG2 3.56Å; I28-V131 HydrophobicContact CD1-CG1 4.24Å
29I86.2Confident88.2Confident18 Ų1858.2 Ų58.29%0.09233%0.328CS..Hα-helixtrans-73.8-45.8-179.1-62.5166.5000110.7M25 S26 L27 Y137 L138 A161M25-I29 HydrophobicContact CG-CD1 3.86Å; M25-I29 VanDerWaalsContact O-CG1 3.31Å; M25-I29 WeakPolarHBondContact O-CG1 3.1Å; M25-I29 PolarHBondContact O-N 2.92Å; M25-I29 HydrophobicContact SD-CD1 4.16Å; S26-I29 PolarHBondContact O-N 3.04Å; L27-I29 VanDerWaalsContact C-N 3.29Å; L27-I29 PolarHBondContact O-N 2.71Å; I29-Y137 HydrophobicContact CD1-CD2 4.44Å; I29-Y137 HydrophobicContact CD1-CG 4.19Å; I29-L138 HydrophobicContact CG2-CD2 4.38Å; I29-L138 WeakPolarHBondContact O-CD2 3.04Å; I29-A161 HydrophobicContact CD1-CB 3.97Å
30N83.9Confident88.6Confident109 Ų10955 Ų5558%0.58330%0.301SS*.Hα-helixtrans-97.5-16.9-166.7-62.1-48.8000115S26 L27S26-N30 VanDerWaalsContact O-CB 3.23Å; S26-N30 WeakPolarHBondContact O-CB 3.35Å; S26-N30 PolarHBondContact O-N 2.75Å; S26-N30 PolarHBondContact O-ND2 2.65Å; S26-N30 VanDerWaalsContact O-ND2 3.09Å; S26-N30 PolarHBondContact OG-ND2 2.99Å; S26-N30 VanDerWaalsContact OG-ND2 3.1Å; L27-N30 PolarHBondContact O-N 3.11Å
31T87.1Confident88.9Confident89 Ų8949.5 Ų49.555%0.54628%0.275SS..THydrogen-bonded Turntrans-124.3-25.5-171.6670000114.9L27L27-T31 HydrophobicContact CD2-CG2 3.99Å; L27-T31 WeakPolarHBondContact O-CA 3.46Å; L27-T31 WeakPolarHBondContact O-CB 3.32Å; L27-T31 PolarHBondContact O-N 3.46Å; L27-T31 PolarHBondContact O-OG1 3.31Å
32F85.4Confident89.3Confident63 Ų6345 Ų4528%0.27625%0.252SS..SBendtrans-77.2-27-174.3-7817.2000113.8L27 I28 I390 S391L27-F32 PolarHBondContact O-N 3.3Å; I28-F32 HydrophobicContact CB-CD2 4.37Å; I28-F32 HydrophobicContact CG1-CD2 4.01Å; I28-F32 HydrophobicContact CG1-CE2 3.76Å; I28-F32 HydrophobicContact CG1-CZ 4.23Å; I28-F32 HydrophobicContact CG2-CD2 4.43Å; F32-I390 HydrophobicContact CD2-CG1 3.69Å; F32-I390 HydrophobicContact CD2-CG2 4.31Å; F32-I390 HydrophobicContact CE2-CG1 3.75Å; F32-I390 HydrophobicContact CG-CG2 4.41Å; F32-S391 VanDerWaalsContact O-CB 3.22Å; F32-S391 WeakPolarHBondContact O-CB 3.37Å
33Y87Confident89.9Confident17 Ų1742.3 Ų42.37%0.06723%0.229CC..  trans-118.4131.5-175.2-58.1-76.8000110.4I38 L138Y33-I38 HydrophobicContact CD1-CD1 3.25Å; Y33-I38 HydrophobicContact CD1-CG1 3.68Å; Y33-I38 HydrophobicContact CD2-CD1 4.02Å; Y33-I38 HydrophobicContact CE1-CD1 3.49Å; Y33-I38 VanDerWaalsContact CE1-CD1 3.49Å; Y33-I38 HydrophobicContact CE1-CG1 4.32Å; Y33-I38 HydrophobicContact CE2-CD1 4.22Å; Y33-I38 HydrophobicContact CG-CD1 3.53Å; Y33-I38 HydrophobicContact CG-CG1 3.97Å; Y33-L138 HydrophobicContact CD2-CD1 3.99Å; Y33-L138 HydrophobicContact CG-CD1 4.11Å
34S84.6Confident90.3Very high106 Ų10636.9 Ų36.974%0.74120%0.204SC*.SBendtrans-84.3-37.7177.468.20000111.8E393S34-E393 PolarHBondContact OG-OE2 3.45Å
35N90Very high90.6Very high51 Ų5134.5 Ų34.527%0.27319%0.191SC..  trans-111.3128.6-178.1-170.5-18.2000110.5E37 I38N35-E37 VanDerWaalsContact C-N 3.3Å; N35-E37 PolarHBondContact ND2-OE1 2.63Å; N35-E37 VanDerWaalsContact ND2-OE1 3.17Å; N35-E37 PolarHBondContact O-N 2.65Å; N35-E37 WeakPolarHBondContact OD1-CG 3.28Å; N35-E37 PolarHBondContact OD1-N 3.26Å; N35-I38 HydrophobicContact CB-CG2 4.48Å; N35-I38 WeakPolarHBondContact O-CG1 3.49Å
36K93.7Very high90.9Very high80 Ų8036 Ų3635%0.34820%0.2SC..THydrogen-bonded Turntrans-68.3-28.1-179.5-65.8-174.5-177.6178.60113.1I38 F39 L138 V139 Q189K36-I38 PolarHBondContact O-N 2.82Å; K36-F39 VanDerWaalsContact O-CD1 3.28Å; K36-F39 WeakPolarHBondContact O-CD1 3.44Å; K36-F39 PolarHBondContact O-N 3.15Å; K36-L138 HydrophobicContact CB-CB 4.47Å; K36-L138 HydrophobicContact CG-CB 4.39Å; K36-V139 HydrophobicContact CB-CG1 4.05Å; K36-Q189 VanDerWaalsContact NZ-NE2 3.12Å
37E94Very high91.3Very high6 Ų633.1 Ų33.13%0.02818%0.18CC..THydrogen-bonded Turntrans-62.3-17.3-174.182.8-169.9-17200113.9N35 F39 L40 Y192 R197 V201 K204 H205N35-E37 VanDerWaalsContact C-N 3.3Å; N35-E37 PolarHBondContact ND2-OE1 2.63Å; N35-E37 VanDerWaalsContact ND2-OE1 3.17Å; N35-E37 PolarHBondContact O-N 2.65Å; N35-E37 WeakPolarHBondContact OD1-CG 3.28Å; N35-E37 PolarHBondContact OD1-N 3.26Å; E37-F39 PolarHBondContact O-N 3.32Å; E37-F39 VanDerWaalsContact O-N 3.11Å; E37-L40 PolarHBondContact O-N 2.68Å; E37-Y192 HydrophobicContact CB-CE1 4.24Å; E37-R197 IonicContact OE2-CZ 3.4Å; E37-R197 IonicContact OE2-NH1 4Å; E37-R197 PolarHBondContact OE2-NH1 2.84Å; E37-R197 IonicContact OE2-NH2 3.17Å; E37-R197 PolarHBondContact OE2-NH2 3.25Å; E37-V201 HydrophobicContact CB-CG1 4.27Å; E37-V201 HydrophobicContact CB-CG2 3.92Å; E37-V201 HydrophobicContact CG-CG1 4.48Å; E37-V201 HydrophobicContact CG-CG2 4.49Å; E37-V201 WeakPolarHBondContact O-CG1 3.26Å; E37-K204 WeakPolarHBondContact OE1-CE 3.21Å; E37-K204 IonicContact OE1-NZ 2.79Å; E37-K204 PolarHBondContact OE1-NZ 3.34Å; E37-H205 IonicContact OE1-CD2 2.92Å; E37-H205 IonicContact OE1-CE1 3.66Å; E37-H205 IonicContact OE1-NE2 3.74Å; E37-H205 PolarHBondContact OE1-NE2 2.99Å
38I93.1Very high91.6Very high0 Ų029.1 Ų29.10%016%0.159CC..Hα-helixtrans-61.4-17.4179.264.189000113.2Y33 N35 K36 L40 R41 E42 S135 L138 E393Y33-I38 HydrophobicContact CD1-CD1 3.25Å; Y33-I38 HydrophobicContact CD1-CG1 3.68Å; Y33-I38 HydrophobicContact CD2-CD1 4.02Å; Y33-I38 HydrophobicContact CE1-CD1 3.49Å; Y33-I38 VanDerWaalsContact CE1-CD1 3.49Å; Y33-I38 HydrophobicContact CE1-CG1 4.32Å; Y33-I38 HydrophobicContact CE2-CD1 4.22Å; Y33-I38 HydrophobicContact CG-CD1 3.53Å; Y33-I38 HydrophobicContact CG-CG1 3.97Å; N35-I38 HydrophobicContact CB-CG2 4.48Å; N35-I38 WeakPolarHBondContact O-CG1 3.49Å; K36-I38 PolarHBondContact O-N 2.82Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 2.7Å; I38-R41 WeakPolarHBondContact O-CA 3.45Å; I38-R41 WeakPolarHBondContact O-CB 3.29Å; I38-R41 PolarHBondContact O-N 3.26Å; I38-E42 HydrophobicContact CD1-CG 4.06Å; I38-E42 PolarHBondContact O-N 3.13Å; I38-S135 VanDerWaalsContact CD1-CB 3.45Å; I38-L138 HydrophobicContact CD1-CD1 3.71Å; I38-L138 HydrophobicContact CG1-CD1 4.03Å; I38-E393 WeakPolarHBondContact CG2-OE1 3.4Å
39F95.5Very high91.9Very high0 Ų029.1 Ų29.10%016%0.159CC..Hα-helixtrans-57.6-41.5179.482.7-80.3000111.7K36 E37 E42 L43 L84 V139 L183 Y192K36-F39 VanDerWaalsContact O-CD1 3.28Å; K36-F39 WeakPolarHBondContact O-CD1 3.44Å; K36-F39 PolarHBondContact O-N 3.15Å; E37-F39 PolarHBondContact O-N 3.32Å; E37-F39 VanDerWaalsContact O-N 3.11Å; F39-E42 PolarHBondContact O-N 3.3Å; F39-L43 HydrophobicContact CD2-CD1 4.04Å; F39-L43 WeakPolarHBondContact O-CB 3.47Å; F39-L43 VanDerWaalsContact O-CG 3.23Å; F39-L43 WeakPolarHBondContact O-CG 3.25Å; F39-L43 PolarHBondContact O-N 3.46Å; F39-L84 HydrophobicContact CE2-CD2 4.03Å; F39-L84 HydrophobicContact CZ-CD2 4.15Å; F39-V139 HydrophobicContact CB-CG2 4.31Å; F39-V139 HydrophobicContact CD1-CB 4.45Å; F39-V139 HydrophobicContact CD1-CG1 3.83Å; F39-V139 HydrophobicContact CD1-CG2 3.77Å; F39-V139 HydrophobicContact CD2-CG2 3.58Å; F39-V139 HydrophobicContact CE1-CB 4.45Å; F39-V139 HydrophobicContact CE1-CG1 3.97Å; F39-V139 HydrophobicContact CE1-CG2 3.86Å; F39-V139 HydrophobicContact CE2-CG2 3.7Å; F39-V139 HydrophobicContact CG-CG1 4.38Å; F39-V139 HydrophobicContact CG-CG2 3.6Å; F39-V139 HydrophobicContact CZ-CG2 3.81Å; F39-L183 HydrophobicContact CD2-CD1 3.82Å; F39-L183 HydrophobicContact CE2-CD1 3.57Å; F39-Y192 AromaticContact CE1-CD1 3.51Å; F39-Y192 HydrophobicContact CE1-CD1 3.51Å; F39-Y192 HydrophobicContact CE1-CD2 4.05Å; F39-Y192 AromaticContact CE1-CE1 3.63Å; F39-Y192 HydrophobicContact CE1-CE1 3.63Å; F39-Y192 HydrophobicContact CE1-CE2 4.17Å; F39-Y192 AromaticContact CE1-CG 3.74Å; F39-Y192 HydrophobicContact CE1-CG 3.74Å; F39-Y192 AromaticContact CE1-CZ 3.98Å; F39-Y192 AromaticContact CZ-CD1 3.83Å; F39-Y192 HydrophobicContact CZ-CD1 3.83Å; F39-Y192 HydrophobicContact CZ-CD2 4.33Å; F39-Y192 HydrophobicContact CZ-CE1 4.41Å; F39-Y192 AromaticContact CZ-CG 3.8Å; F39-Y192 HydrophobicContact CZ-CG 3.8Å
40L96.1Very high92.3Very high3 Ų329 Ų292%0.01616%0.161CC..Hα-helixtrans-66.6-38.7175.9-79.9175.5000111.6E37 I38 L43 I44 L84 V201E37-L40 PolarHBondContact O-N 2.68Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 2.7Å; L40-L43 PolarHBondContact O-N 3.31Å; L40-I44 VanDerWaalsContact O-CB 3.26Å; L40-I44 WeakPolarHBondContact O-CB 3.38Å; L40-I44 WeakPolarHBondContact O-CD1 3.44Å; L40-I44 WeakPolarHBondContact O-CG1 3.42Å; L40-I44 PolarHBondContact O-N 3.07Å; L40-L84 HydrophobicContact CD2-CD2 4.04Å; L40-V201 HydrophobicContact CB-CG1 3.87Å; L40-V201 HydrophobicContact CD1-CB 4.2Å; L40-V201 HydrophobicContact CD1-CG1 3.94Å; L40-V201 HydrophobicContact CG-CG1 4.48Å
41R94.6Very high92.8Very high2 Ų223.8 Ų23.81%0.00813%0.133CC..Hα-helixtrans-58.9-50.3174.7178.8-168.273.7-160.9-0.1110.7I38 S45 H205 V360 S391I38-R41 WeakPolarHBondContact O-CA 3.45Å; I38-R41 WeakPolarHBondContact O-CB 3.29Å; I38-R41 PolarHBondContact O-N 3.26Å; R41-S45 VanDerWaalsContact O-CB 3.26Å; R41-S45 WeakPolarHBondContact O-CB 3.43Å; R41-S45 PolarHBondContact O-N 3.29Å; R41-S45 PolarHBondContact O-OG 3.25Å; R41-H205 HydrophobicContact CB-CB 3.79Å; R41-H205 HydrophobicContact CG-CB 3.87Å; R41-V360 HydrophobicContact CG-CG1 3.97Å; R41-S391 PolarHBondContact NH2-O 2.93Å
42E94.2Very high93.1Very high5 Ų520.2 Ų20.22%0.02311%0.111CC..Hα-helixtrans-65-43-178.4-65.1-55.3127.500111.6I38 F39 S45 N46 G132 R392I38-E42 HydrophobicContact CD1-CG 4.06Å; I38-E42 PolarHBondContact O-N 3.13Å; F39-E42 PolarHBondContact O-N 3.3Å; E42-S45 PolarHBondContact O-N 3Å; E42-N46 PolarHBondContact O-N 3.41Å; E42-N46 PolarHBondContact O-ND2 3Å; E42-N46 VanDerWaalsContact O-ND2 3.17Å; E42-G132 WeakPolarHBondContact CB-O 3.48Å; E42-G132 WeakPolarHBondContact OE2-CA 3.36Å; E42-R392 IonicContact OE2-NE 3.93Å
43L96.5Very high93.4Very high6 Ų618.7 Ų18.73%0.03110%0.104CC..Hα-helixtrans-66.4-44.9178.8-67.7173.9000112.3F39 L40 S45 N46 A47 L86 F133 V181 L183F39-L43 HydrophobicContact CD2-CD1 4.04Å; F39-L43 WeakPolarHBondContact O-CB 3.47Å; F39-L43 VanDerWaalsContact O-CG 3.23Å; F39-L43 WeakPolarHBondContact O-CG 3.25Å; F39-L43 PolarHBondContact O-N 3.46Å; L40-L43 PolarHBondContact O-N 3.31Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 2.91Å; L43-N46 PolarHBondContact O-N 3.42Å; L43-A47 WeakPolarHBondContact O-CB 3.44Å; L43-A47 PolarHBondContact O-N 3.24Å; L43-L86 HydrophobicContact CB-CD2 3.58Å; L43-F133 HydrophobicContact CD2-CD2 4.28Å; L43-V181 HydrophobicContact CD2-CG1 4.26Å; L43-L183 HydrophobicContact CD1-CD1 3.74Å; L43-L183 HydrophobicContact CD1-CD2 4.22Å; L43-L183 HydrophobicContact CD1-CG 4.45Å
44I96.2Very high93.8Very high0 Ų017.9 Ų17.90%010%0.101CC..Hα-helixtrans-64.4-38.2175.6-68167.2000110.8L40 A47 S48 I73 I75 L86 V202 I209 I213L40-I44 VanDerWaalsContact O-CB 3.26Å; L40-I44 WeakPolarHBondContact O-CB 3.38Å; L40-I44 WeakPolarHBondContact O-CD1 3.44Å; L40-I44 WeakPolarHBondContact O-CG1 3.42Å; L40-I44 PolarHBondContact O-N 3.07Å; I44-A47 PolarHBondContact O-N 3.3Å; I44-S48 PolarHBondContact O-N 3.37Å; I44-I73 HydrophobicContact CG2-CD1 4.01Å; I44-I75 HydrophobicContact CD1-CD1 4.21Å; I44-L86 HydrophobicContact CG1-CD1 4.38Å; I44-V202 HydrophobicContact CD1-CG2 3.97Å; I44-I209 HydrophobicContact CG2-CG1 4.06Å; I44-I213 HydrophobicContact CG2-CD1 3.74Å; I44-I213 HydrophobicContact CG2-CG1 4.49Å
45S93.3Very high94.1Very high2 Ų218.5 Ų18.51%0.0149%0.087CC..Hα-helixtrans-63-43.6176-60.50000111.4R41 E42 L43 S48 D49R41-S45 VanDerWaalsContact O-CB 3.26Å; R41-S45 WeakPolarHBondContact O-CB 3.43Å; R41-S45 PolarHBondContact O-N 3.29Å; R41-S45 PolarHBondContact O-OG 3.25Å; E42-S45 PolarHBondContact O-N 3Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 2.91Å; S45-S48 PolarHBondContact O-N 3.46Å; S45-D49 PolarHBondContact O-N 2.86Å
46N94.3Very high94.2Very high51 Ų5118.4 Ų18.427%0.2738%0.083SC..Hα-helixtrans-64.3-40.4175.9-67.7-28.4000112E42 L43 D49 A50E42-N46 PolarHBondContact O-N 3.41Å; E42-N46 PolarHBondContact O-ND2 3Å; E42-N46 VanDerWaalsContact O-ND2 3.17Å; L43-N46 PolarHBondContact O-N 3.42Å; N46-D49 PolarHBondContact O-N 2.89Å; N46-A50 PolarHBondContact O-N 3.46Å
47A96.4Very high94Very high1 Ų117.4 Ų17.41%0.0088%0.079CC..Hα-helixtrans-62.2-43.3174.500000111.5L43 I44 A50 L51 I73 L86 D88L43-A47 WeakPolarHBondContact O-CB 3.44Å; L43-A47 PolarHBondContact O-N 3.24Å; I44-A47 PolarHBondContact O-N 3.3Å; A47-A50 WeakPolarHBondContact O-CB 3.43Å; A47-A50 PolarHBondContact O-N 3.05Å; A47-L51 WeakPolarHBondContact O-CG 3.46Å; A47-L51 PolarHBondContact O-N 3.49Å; A47-I73 HydrophobicContact CB-CD1 3.68Å; A47-I73 HydrophobicContact CB-CG1 3.95Å; A47-I73 HydrophobicContact CB-CG2 4.24Å; A47-L86 HydrophobicContact CB-CD2 4.48Å; A47-D88 HydrophobicContact CB-CB 3.55Å
48S94.2Very high94Very high2 Ų218 Ų181%0.0148%0.084CC..Hα-helixtrans-60.7-45.8174.1-171.70000112I44 S45 A50 L51 D52I44-S48 PolarHBondContact O-N 3.37Å; S45-S48 PolarHBondContact O-N 3.46Å; S48-A50 PolarHBondContact O-N 3.42Å; S48-L51 PolarHBondContact O-N 2.97Å; S48-L51 VanDerWaalsContact O-N 3.13Å; S48-D52 PolarHBondContact O-N 3.23Å
49D92.9Very high93.8Very high1 Ų123.9 Ų23.91%0.00512%0.115CC..Hα-helixtrans-58.7-38.1175.9-77.7-12.5000111.3S45 N46 D52 K53 T110 M125 I126 G127S45-D49 PolarHBondContact O-N 2.86Å; N46-D49 PolarHBondContact O-N 2.89Å; D49-D52 PolarHBondContact O-N 3.14Å; D49-K53 VanDerWaalsContact O-CG 3.3Å; D49-K53 WeakPolarHBondContact O-CG 3.45Å; D49-K53 PolarHBondContact O-N 3.15Å; D49-T110 HydrophobicContact CB-CG2 4.35Å; D49-T110 VanDerWaalsContact OD2-CG2 3.3Å; D49-T110 WeakPolarHBondContact OD2-CG2 3.41Å; D49-T110 PolarHBondContact OD2-OG1 3.08Å; D49-M125 HydrophobicContact CB-CG 4.35Å; D49-M125 WeakPolarHBondContact OD1-CA 3.27Å; D49-I126 PolarHBondContact OD1-N 3.29Å; D49-G127 VanDerWaalsContact OD2-CA 3.29Å; D49-G127 WeakPolarHBondContact OD2-CA 3.46Å; D49-G127 PolarHBondContact OD2-N 3.43Å
50A95.2Very high93.5Very high15 Ų1528.4 Ų28.412%0.12414%0.143CC..Hα-helixtrans-69.4-34.7177.400000112.8N46 A47 S48 I54 G90 I91N46-A50 PolarHBondContact O-N 3.46Å; A47-A50 WeakPolarHBondContact O-CB 3.43Å; A47-A50 PolarHBondContact O-N 3.05Å; S48-A50 PolarHBondContact O-N 3.42Å; A50-I54 PolarHBondContact O-N 2.82Å; A50-G90 WeakPolarHBondContact O-CA 3.47Å; A50-I91 PolarHBondContact O-N 3.33Å; A50-I91 VanDerWaalsContact O-N 3.1Å
51L95.4Very high93.3Very high0 Ų031.2 Ų31.20%016%0.158CC..Hα-helixtrans-69.4-39.6173.4-67.8167.8000111.6A47 S48 K53 I54 R55 L71 I73 T89 Y211A47-L51 WeakPolarHBondContact O-CG 3.46Å; A47-L51 PolarHBondContact O-N 3.49Å; S48-L51 PolarHBondContact O-N 2.97Å; S48-L51 VanDerWaalsContact O-N 3.13Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.32Å; L51-I54 WeakPolarHBondContact O-CG2 3.39Å; L51-I54 PolarHBondContact O-N 2.88Å; L51-R55 VanDerWaalsContact O-CB 3.27Å; L51-R55 WeakPolarHBondContact O-CB 3.21Å; L51-R55 PolarHBondContact O-N 3.15Å; L51-L71 HydrophobicContact CD2-CB 3.96Å; L51-L71 HydrophobicContact CD2-CD2 3.89Å; L51-L71 HydrophobicContact CD2-CG 4.5Å; L51-I73 HydrophobicContact CD1-CD1 4.04Å; L51-I73 HydrophobicContact CD1-CG1 3.56Å; L51-T89 WeakPolarHBondContact CD2-OG1 3.43Å; L51-Y211 HydrophobicContact CB-CD1 4.06Å; L51-Y211 HydrophobicContact CB-CD2 3.74Å; L51-Y211 HydrophobicContact CB-CE1 3.85Å; L51-Y211 HydrophobicContact CB-CE2 3.53Å; L51-Y211 HydrophobicContact CB-CG 4.01Å; L51-Y211 HydrophobicContact CD1-CD1 4.01Å; L51-Y211 HydrophobicContact CD1-CD2 3.76Å; L51-Y211 HydrophobicContact CD1-CE2 4.43Å; L51-Y211 HydrophobicContact CD1-CG 3.53Å; L51-Y211 HydrophobicContact CG-CD2 4.4Å; L51-Y211 HydrophobicContact CG-CG 4.37Å
52D92.1Very high93.3Very high14 Ų1435.5 Ų35.58%0.07519%0.186CC..Hα-helixtrans-64.2-38.4174.6-76.8-37.9000112.3S48 D49 R55 Y56 I123 Y211S48-D52 PolarHBondContact O-N 3.23Å; D49-D52 PolarHBondContact O-N 3.14Å; D52-R55 PolarHBondContact O-N 2.9Å; D52-Y56 PolarHBondContact O-N 3.21Å; D52-I123 HydrophobicContact CB-CG2 4.22Å; D52-Y211 WeakPolarHBondContact CA-OH 3.49Å; D52-Y211 PolarHBondContact N-OH 3.43Å; D52-Y211 WeakPolarHBondContact OD1-CE2 3.42Å; D52-Y211 PolarHBondContact OD1-OH 2.96Å
53K92.6Very high93.4Very high30 Ų3038.1 Ų38.113%0.1321%0.205CC..Hα-helixtrans-59.9-50.9174.2-74.1171.6-171.4172.50112.2D49 L51 R55 Y56 E57 I91 T110 F113 M125D49-K53 VanDerWaalsContact O-CG 3.3Å; D49-K53 WeakPolarHBondContact O-CG 3.45Å; D49-K53 PolarHBondContact O-N 3.15Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.32Å; K53-R55 VanDerWaalsContact C-N 3.33Å; K53-R55 PolarHBondContact O-N 3.03Å; K53-Y56 WeakPolarHBondContact O-CB 3.17Å; K53-Y56 PolarHBondContact O-N 2.85Å; K53-E57 WeakPolarHBondContact O-CG 3.44Å; K53-E57 PolarHBondContact O-N 3.28Å; K53-I91 HydrophobicContact CB-CB 4.26Å; K53-I91 HydrophobicContact CB-CD1 4.24Å; K53-I91 HydrophobicContact CB-CG2 3.96Å; K53-I91 HydrophobicContact CD-CG2 4.11Å; K53-T110 PolarHBondContact NZ-OG1 3.04Å; K53-F113 HydrophobicContact CB-CE1 4.26Å; K53-F113 HydrophobicContact CB-CE2 4.32Å; K53-F113 HydrophobicContact CB-CZ 4.03Å; K53-F113 HydrophobicContact CD-CD2 4.4Å; K53-F113 HydrophobicContact CD-CG 4.29Å; K53-F113 HydrophobicContact CG-CD1 3.78Å; K53-F113 HydrophobicContact CG-CD2 4.1Å; K53-F113 HydrophobicContact CG-CE1 3.73Å; K53-F113 HydrophobicContact CG-CE2 4.1Å; K53-F113 HydrophobicContact CG-CG 3.93Å; K53-F113 HydrophobicContact CG-CZ 3.9Å; K53-M125 HydrophobicContact CG-SD 4.25Å
54I94.2Very high93.3Very high1 Ų140 Ų401%0.00521%0.213CC..Hα-helixtrans-68.1-36179.7-171.367.6000111.6A50 L51 Y56 E57 S58 K64 L65 L71 I91A50-I54 PolarHBondContact O-N 2.82Å; L51-I54 WeakPolarHBondContact O-CG2 3.39Å; L51-I54 PolarHBondContact O-N 2.88Å; I54-Y56 VanDerWaalsContact C-N 3.29Å; I54-Y56 PolarHBondContact O-N 3.15Å; I54-E57 PolarHBondContact O-N 3.2Å; I54-S58 VanDerWaalsContact O-CB 3.3Å; I54-S58 WeakPolarHBondContact O-CB 3.42Å; I54-S58 PolarHBondContact O-N 3.27Å; I54-S58 PolarHBondContact O-OG 2.99Å; I54-K64 HydrophobicContact CD1-CB 4.06Å; I54-L65 HydrophobicContact CG1-CD2 3.82Å; I54-L71 HydrophobicContact CG2-CD2 3.61Å; I54-I91 HydrophobicContact CB-CB 4.05Å; I54-I91 HydrophobicContact CD1-CG1 4.27Å
55R92.6Very high93.2Very high118 Ų11841.6 Ų41.645%0.44522%0.221SC..Hα-helixtrans-57.7-45.9173.7-179.1176.6173.1-111-3.9110.3L51 D52 K53 S58 L59 L71 Y211L51-R55 VanDerWaalsContact O-CB 3.27Å; L51-R55 WeakPolarHBondContact O-CB 3.21Å; L51-R55 PolarHBondContact O-N 3.15Å; D52-R55 PolarHBondContact O-N 2.9Å; K53-R55 VanDerWaalsContact C-N 3.33Å; K53-R55 PolarHBondContact O-N 3.03Å; R55-S58 PolarHBondContact O-N 3.38Å; R55-S58 PolarHBondContact O-OG 2.76Å; R55-L59 WeakPolarHBondContact O-CG 3.47Å; R55-L59 PolarHBondContact O-N 2.89Å; R55-L71 HydrophobicContact CB-CD1 4.2Å; R55-Y211 VanDerWaalsContact CD-OH 3.28Å; R55-Y211 WeakPolarHBondContact CD-OH 3.31Å
56Y90.7Very high93.2Very high49 Ų4947.5 Ų47.519%0.19225%0.252CS..Hα-helixtrans-62.6-52.4176.3-176.3-108.4000113.6D52 K53 I54 S58 L59 F113 L117 A121 I123D52-Y56 PolarHBondContact O-N 3.21Å; K53-Y56 WeakPolarHBondContact O-CB 3.17Å; K53-Y56 PolarHBondContact O-N 2.85Å; I54-Y56 VanDerWaalsContact C-N 3.29Å; I54-Y56 PolarHBondContact O-N 3.15Å; Y56-S58 PolarHBondContact O-N 2.62Å; Y56-S58 VanDerWaalsContact O-N 3.17Å; Y56-L59 HydrophobicContact CD2-CD1 4.46Å; Y56-L59 VanDerWaalsContact O-CB 3.3Å; Y56-L59 WeakPolarHBondContact O-CB 3.38Å; Y56-L59 PolarHBondContact O-N 3.18Å; Y56-F113 HydrophobicContact CD1-CE1 4.22Å; Y56-F113 AromaticContact CD1-CZ 3.72Å; Y56-F113 HydrophobicContact CD1-CZ 3.72Å; Y56-F113 HydrophobicContact CG-CZ 4.32Å; Y56-L117 HydrophobicContact CD1-CD2 3.53Å; Y56-L117 HydrophobicContact CD2-CD2 4.11Å; Y56-L117 HydrophobicContact CE1-CD2 3.11Å; Y56-L117 HydrophobicContact CE2-CD2 3.71Å; Y56-L117 HydrophobicContact CG-CD2 3.97Å; Y56-A121 HydrophobicContact CD2-CB 4.15Å; Y56-A121 HydrophobicContact CE2-CB 3.5Å; Y56-A121 VanDerWaalsContact CE2-CB 3.5Å; Y56-I123 HydrophobicContact CD1-CD1 4.27Å; Y56-I123 HydrophobicContact CD2-CD1 3.22Å; Y56-I123 HydrophobicContact CD2-CG1 4.26Å; Y56-I123 HydrophobicContact CE2-CD1 4.01Å; Y56-I123 HydrophobicContact CG-CD1 3.31Å
57E90.8Very high93.2Very high59 Ų5947.2 Ų47.228%0.27625%0.254SS..Hα-helixtrans-55.8-35.9179-71.1-70.7146.700110.7K53 I54 L59 T60 D61 K64 I91K53-E57 WeakPolarHBondContact O-CG 3.44Å; K53-E57 PolarHBondContact O-N 3.28Å; I54-E57 PolarHBondContact O-N 3.2Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.08Å; E57-T60 PolarHBondContact O-N 2.91Å; E57-T60 PolarHBondContact O-OG1 2.96Å; E57-D61 PolarHBondContact O-N 3.47Å; E57-K64 HydrophobicContact CB-CG 4.47Å; E57-I91 HydrophobicContact CG-CD1 4.08Å
58S92.7Very high93Very high18 Ų1848.5 Ų48.513%0.12627%0.268CS..Hα-helixtrans-69.4-22.4176.679.60000115.1I54 R55 Y56 T60 D61 P62 L65I54-S58 VanDerWaalsContact O-CB 3.3Å; I54-S58 WeakPolarHBondContact O-CB 3.42Å; I54-S58 PolarHBondContact O-N 3.27Å; I54-S58 PolarHBondContact O-OG 2.99Å; R55-S58 PolarHBondContact O-N 3.38Å; R55-S58 PolarHBondContact O-OG 2.76Å; Y56-S58 PolarHBondContact O-N 2.62Å; Y56-S58 VanDerWaalsContact O-N 3.17Å; S58-T60 VanDerWaalsContact C-N 3.33Å; S58-D61 WeakPolarHBondContact CA-O 2.89Å; S58-D61 CarbonylContact O-C 3.58Å; S58-P62 WeakPolarHBondContact O-CA 3.47Å; S58-L65 VanDerWaalsContact CB-CG 3.49Å
59L90.1Very high93Very high125 Ų12556.1 Ų56.165%0.65430%0.301SS*.Hα-helixtrans-70.9-34.4173.3-63.9174000110.9R55 Y56 E57R55-L59 WeakPolarHBondContact O-CG 3.47Å; R55-L59 PolarHBondContact O-N 2.89Å; Y56-L59 HydrophobicContact CD2-CD1 4.46Å; Y56-L59 VanDerWaalsContact O-CB 3.3Å; Y56-L59 WeakPolarHBondContact O-CB 3.38Å; Y56-L59 PolarHBondContact O-N 3.18Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.08Å
60T88.4Confident93.1Very high95 Ų9561.6 Ų61.658%0.58333%0.326SS*.Hα-helixtrans-87.1-34.6177.148.80000112.9E57 S58E57-T60 PolarHBondContact O-N 2.91Å; E57-T60 PolarHBondContact O-OG1 2.96Å; S58-T60 VanDerWaalsContact C-N 3.33Å
61D92.7Very high93.2Very high61 Ų6162.6 Ų62.633%0.32633%0.329SS..  trans-142.392.4-179.3-179.15.5000110.9E57 S58 S63 K64E57-D61 PolarHBondContact O-N 3.47Å; S58-D61 WeakPolarHBondContact CA-O 2.89Å; S58-D61 CarbonylContact O-C 3.58Å; D61-S63 VanDerWaalsContact CG-OG 3.25Å; D61-S63 PolarHBondContact O-N 3.33Å; D61-S63 WeakPolarHBondContact OD1-CB 3.41Å; D61-S63 PolarHBondContact OD1-N 3.49Å; D61-S63 VanDerWaalsContact OD1-N 3.11Å; D61-S63 PolarHBondContact OD1-OG 3.31Å; D61-S63 PolarHBondContact OD2-OG 3.02Å; D61-K64 HydrophobicContact CB-CG 4.03Å; D61-K64 WeakPolarHBondContact O-CB 3.42Å; D61-K64 WeakPolarHBondContact O-CG 3.34Å; D61-K64 PolarHBondContact O-N 2.94Å; D61-K64 VanDerWaalsContact O-N 3.1Å
62P94.4Very high93.2Very high92 Ų9263.9 Ų63.960%0.59734%0.335SS*.G310 helixtrans-57.8-21.8179.7-27.835.9000114.9S58 K64 L65S58-P62 WeakPolarHBondContact O-CA 3.47Å; P62-K64 PolarHBondContact O-N 2.81Å; P62-L65 PolarHBondContact O-N 3.46Å; P62-L65 VanDerWaalsContact O-N 3.17Å
63S95.2Very high93.5Very high61 Ų6163.2 Ų63.243%0.42733%0.332SS..G310 helixtrans-66.4-19.8179750000112.7D61 L65 D66D61-S63 VanDerWaalsContact CG-OG 3.25Å; D61-S63 PolarHBondContact O-N 3.33Å; D61-S63 WeakPolarHBondContact OD1-CB 3.41Å; D61-S63 PolarHBondContact OD1-N 3.49Å; D61-S63 VanDerWaalsContact OD1-N 3.11Å; D61-S63 PolarHBondContact OD1-OG 3.31Å; D61-S63 PolarHBondContact OD2-OG 3.02Å; S63-L65 PolarHBondContact O-N 2.86Å; S63-L65 VanDerWaalsContact O-N 3.08Å; S63-D66 WeakPolarHBondContact O-CB 3.44Å; S63-D66 PolarHBondContact O-N 2.77Å
64K94.1Very high93.8Very high46 Ų4662.3 Ų62.320%0.233%0.328CS..G310 helixtrans-60.5-18.6173.6-64.9-69.7-175.8174.80113.1I54 E57 D61 P62 N150 D151 R177I54-K64 HydrophobicContact CD1-CB 4.06Å; E57-K64 HydrophobicContact CB-CG 4.47Å; D61-K64 HydrophobicContact CB-CG 4.03Å; D61-K64 WeakPolarHBondContact O-CB 3.42Å; D61-K64 WeakPolarHBondContact O-CG 3.34Å; D61-K64 PolarHBondContact O-N 2.94Å; D61-K64 VanDerWaalsContact O-N 3.1Å; P62-K64 PolarHBondContact O-N 2.81Å; K64-N150 PolarHBondContact O-ND2 3.17Å; K64-D151 IonicContact NZ-OD1 3.01Å; K64-D151 PolarHBondContact NZ-OD1 3.33Å; K64-D151 IonicContact NZ-OD2 3.73Å; K64-R177 PolarHBondContact O-NH1 3.01Å
65L95.3Very high93.9Very high33 Ų3362.2 Ų62.217%0.17333%0.328CS..G310 helixtrans-92-1.5176.1-63.4179.9000114.7I54 S58 P62 S63 S67 G68 K69I54-L65 HydrophobicContact CG1-CD2 3.82Å; S58-L65 VanDerWaalsContact CB-CG 3.49Å; P62-L65 PolarHBondContact O-N 3.46Å; P62-L65 VanDerWaalsContact O-N 3.17Å; S63-L65 PolarHBondContact O-N 2.86Å; S63-L65 VanDerWaalsContact O-N 3.08Å; L65-S67 PolarHBondContact O-N 2.86Å; L65-G68 CarbonylContact O-C 3.46Å; L65-G68 PolarHBondContact O-N 2.9Å; L65-K69 HydrophobicContact CB-CG 4.26Å; L65-K69 WeakPolarHBondContact O-CG 3.36Å; L65-K69 PolarHBondContact O-N 3.5Å
66D94Very high94.2Very high125 Ų12559.2 Ų59.267%0.66832%0.32SS*.THydrogen-bonded Turntrans-65.6-26.5-178.1-72.1-20000112.8S63 G68S63-D66 WeakPolarHBondContact O-CB 3.44Å; S63-D66 PolarHBondContact O-N 2.77Å; D66-G68 VanDerWaalsContact C-N 3.26Å; D66-G68 PolarHBondContact O-N 3.46Å
67S92.9Very high94.4Very high45 Ų4557.8 Ų57.832%0.31532%0.317SS..THydrogen-bonded Turntrans-77.1-6.2172.855.20000114.4L65 N150L65-S67 PolarHBondContact O-N 2.86Å; S67-N150 WeakPolarHBondContact CB-OD1 3.49Å; S67-N150 PolarHBondContact OG-OD1 3.03Å
68G92.2Very high94.6Very high28 Ų2857 Ų5729%0.28931%0.314SS..  trans162.5115.3179.100000111.9L65 D66 R177L65-G68 CarbonylContact O-C 3.46Å; L65-G68 PolarHBondContact O-N 2.9Å; D66-G68 VanDerWaalsContact C-N 3.26Å; D66-G68 PolarHBondContact O-N 3.46Å; G68-R177 PolarHBondContact O-NH1 2.87Å; G68-R177 PolarHBondContact O-NH2 3.43Å
69K94.3Very high94.7Very high162 Ų16260.3 Ų60.370%0.70434%0.335SS*.  trans-87.9-23.6-178.9-65-174.3179.5-178.40113.7L65L65-K69 HydrophobicContact CB-CG 4.26Å; L65-K69 WeakPolarHBondContact O-CG 3.36Å; L65-K69 PolarHBondContact O-N 3.5Å
70E95.1Very high94.8Very high116 Ų11662.4 Ų62.454%0.54234%0.341SS..  trans-74.3134.9179.8-164.6177.1-16900110.2K72 T89E70-K72 HydrophobicContact CG-CD 4.05Å; E70-K72 HydrophobicContact CG-CG 4.23Å; E70-K72 VanDerWaalsContact OE1-CD 3.26Å; E70-K72 WeakPolarHBondContact OE1-CD 3.3Å; E70-K72 WeakPolarHBondContact OE1-CE 3.47Å; E70-K72 IonicContact OE1-NZ 2.74Å; E70-K72 PolarHBondContact OE1-NZ 2.86Å; E70-K72 VanDerWaalsContact OE2-CE 3.3Å; E70-K72 WeakPolarHBondContact OE2-CE 3.39Å; E70-K72 IonicContact OE2-NZ 3.88Å; E70-K72 PolarHBondContact OE2-NZ 3.46Å; E70-T89 PolarHBondContact O-OG1 2.94Å
71L96.7Very high95.1Very high36 Ų3663.9 Ų63.919%0.18834%0.342CS..  trans-122101.9179-62.2-176.6000108.6L51 I54 R55 T89 Y211L51-L71 HydrophobicContact CD2-CB 3.96Å; L51-L71 HydrophobicContact CD2-CD2 3.89Å; L51-L71 HydrophobicContact CD2-CG 4.5Å; I54-L71 HydrophobicContact CG2-CD2 3.61Å; R55-L71 HydrophobicContact CB-CD1 4.2Å; L71-T89 WeakPolarHBondContact CA-OG1 3.36Å; L71-Y211 HydrophobicContact CB-CD1 3.88Å; L71-Y211 HydrophobicContact CB-CE1 3.97Å; L71-Y211 HydrophobicContact CD1-CE1 4Å
72K97Very high95.3Very high28 Ų2866.3 Ų66.312%0.12235%0.346CS..  trans-153.4169.3-175.567.4177.6175-164.80112.6E70 D74 T89 P212E70-K72 HydrophobicContact CG-CD 4.05Å; E70-K72 HydrophobicContact CG-CG 4.23Å; E70-K72 VanDerWaalsContact OE1-CD 3.26Å; E70-K72 WeakPolarHBondContact OE1-CD 3.3Å; E70-K72 WeakPolarHBondContact OE1-CE 3.47Å; E70-K72 IonicContact OE1-NZ 2.74Å; E70-K72 PolarHBondContact OE1-NZ 2.86Å; E70-K72 VanDerWaalsContact OE2-CE 3.3Å; E70-K72 WeakPolarHBondContact OE2-CE 3.39Å; E70-K72 IonicContact OE2-NZ 3.88Å; E70-K72 PolarHBondContact OE2-NZ 3.46Å; K72-D74 WeakPolarHBondContact CD-OD1 3.37Å; K72-D74 VanDerWaalsContact CE-OD2 3.28Å; K72-D74 WeakPolarHBondContact CE-OD2 3.28Å; K72-D74 IonicContact NZ-OD2 3.44Å; K72-T89 HydrophobicContact CG-CG2 4.23Å; K72-T89 PolarHBondContact N-OG1 2.84Å; K72-T89 PolarHBondContact O-N 3.26Å; K72-T89 PolarHBondContact O-OG1 2.97Å; K72-P212 HydrophobicContact CB-CB 4.44Å
73I98.1Very high95.4Very high0 Ų062 Ų620%032%0.319CS..EExtended strand (participates in β ladder)trans-125.6123176-53.6173.9000108.3I44 A47 L51 L86 V87 I209 P212 I213 T214I44-I73 HydrophobicContact CG2-CD1 4.01Å; A47-I73 HydrophobicContact CB-CD1 3.68Å; A47-I73 HydrophobicContact CB-CG1 3.95Å; A47-I73 HydrophobicContact CB-CG2 4.24Å; L51-I73 HydrophobicContact CD1-CD1 4.04Å; L51-I73 HydrophobicContact CD1-CG1 3.56Å; I73-L86 HydrophobicContact CG2-CD1 3.52Å; I73-L86 HydrophobicContact CG2-CG 4.16Å; I73-V87 CarbonylContact C-O 3.58Å; I73-V87 WeakPolarHBondContact CA-O 3.28Å; I73-I209 HydrophobicContact CD1-CG2 4.42Å; I73-P212 PolarHBondContact N-O 2.97Å; I73-I213 HydrophobicContact CB-CG1 4.35Å; I73-I213 HydrophobicContact CD1-CG1 4.41Å; I73-I213 CarbonylContact O-C 3.54Å; I73-I213 VanDerWaalsContact O-CA 3.27Å; I73-I213 WeakPolarHBondContact O-CA 3.4Å; I73-T214 PolarHBondContact O-N 3.34Å
74D97.8Very high95.6Very high10 Ų1059.2 Ų59.25%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-114130.5-177.7-68.3-8.4000110.2K72 L86 V87 T214 Y216K72-D74 WeakPolarHBondContact CD-OD1 3.37Å; K72-D74 VanDerWaalsContact CE-OD2 3.28Å; K72-D74 WeakPolarHBondContact CE-OD2 3.28Å; K72-D74 IonicContact NZ-OD2 3.44Å; D74-L86 CarbonylContact O-C 3.52Å; D74-L86 WeakPolarHBondContact O-CA 3.35Å; D74-V87 HydrophobicContact CB-CB 4.23Å; D74-V87 PolarHBondContact N-O 2.82Å; D74-V87 PolarHBondContact O-N 3.43Å; D74-T214 VanDerWaalsContact CG-OG1 3.24Å; D74-T214 PolarHBondContact OD1-OG1 2.94Å; D74-Y216 HydrophobicContact CB-CD2 4.24Å; D74-Y216 HydrophobicContact CB-CE2 3.54Å; D74-Y216 VanDerWaalsContact CG-CE2 3.46Å; D74-Y216 WeakPolarHBondContact OD2-CE2 3.37Å; D74-Y216 PolarHBondContact OD2-OH 3.41Å
75I97.9Very high95.7Very high0 Ų057.7 Ų57.70%029%0.293CS..EExtended strand (participates in β ladder)trans-108.6120.8177-56.4171.9000108.3I44 L84 L86 V198 V202 I213 T214 L215 Y216I44-I75 HydrophobicContact CD1-CD1 4.21Å; I75-L84 HydrophobicContact CG2-CD1 3.77Å; I75-L86 HydrophobicContact CG1-CD1 3.62Å; I75-V198 HydrophobicContact CD1-CG1 4.23Å; I75-V198 HydrophobicContact CG2-CG1 4.16Å; I75-V202 HydrophobicContact CD1-CG2 3.81Å; I75-I213 HydrophobicContact CD1-CG2 3.8Å; I75-I213 HydrophobicContact CG1-CG2 4.35Å; I75-T214 PolarHBondContact N-O 2.92Å; I75-L215 HydrophobicContact CB-CD1 3.93Å; I75-L215 HydrophobicContact CG2-CD1 3.76Å; I75-Y216 PolarHBondContact O-N 3.33Å
76I97Very high95.9Very high55 Ų5556.4 Ų56.428%0.28229%0.287SS..EExtended strand (participates in β ladder)trans-126.594.3-174.5-48.6174000108.8T85 V87 Y216I76-T85 PolarHBondContact N-O 3.2Å; I76-T85 PolarHBondContact O-N 3.2Å; I76-V87 HydrophobicContact CD1-CG2 4.07Å; I76-Y216 HydrophobicContact CD1-CD1 4.46Å; I76-Y216 HydrophobicContact CD1-CG 4.47Å; I76-Y216 HydrophobicContact CG1-CD1 4.29Å; I76-Y216 HydrophobicContact CG1-CD2 3.87Å; I76-Y216 HydrophobicContact CG1-CE2 4.38Å; I76-Y216 HydrophobicContact CG1-CG 3.84Å
77P96.2Very high96.1Very high19 Ų1952 Ų5212%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-68.2135.7169.8-15.330.4000110.6L84 L193 L215 Y216P77-L84 HydrophobicContact CB-CD1 3.97Å; P77-L84 HydrophobicContact CG-CD1 3.86Å; P77-L193 HydrophobicContact CB-CD2 4.22Å; P77-L215 HydrophobicContact CG-CD1 3.86Å; P77-Y216 WeakPolarHBondContact CD-O 3.22Å
78N95Very high96.3Very high43 Ų4350.5 Ų50.523%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-124.688.8171.7-178.61.2000109.8Q80 E81 R82 T83N78-Q80 PolarHBondContact O-N 3.42Å; N78-Q80 WeakPolarHBondContact OD1-CB 3.48Å; N78-Q80 PolarHBondContact OD1-N 3.39Å; N78-E81 WeakPolarHBondContact ND2-CG 3.31Å; N78-E81 PolarHBondContact ND2-OE2 2.88Å; N78-E81 PolarHBondContact O-N 3.12Å; N78-R82 PolarHBondContact O-N 2.81Å; N78-R82 VanDerWaalsContact O-N 3.11Å; N78-T83 WeakPolarHBondContact CA-O 3.28Å; N78-T83 WeakPolarHBondContact CB-OG1 3.37Å; N78-T83 PolarHBondContact N-O 3.21Å; N78-T83 PolarHBondContact O-N 3.15Å
79P93.3Very high96.6Very high86 Ų8650.5 Ų50.556%0.55825%0.247SC*.THydrogen-bonded Turntrans-58.8-29.1178.6-2635.8000114.7E81 R82P79-E81 VanDerWaalsContact C-N 3.34Å; P79-E81 PolarHBondContact O-N 2.67Å; P79-R82 PolarHBondContact O-N 3.37Å
80Q92.7Very high96.7Very high169 Ų16942.8 Ų42.879%0.7921%0.213SC*.THydrogen-bonded Turntrans-66.2-38.4-176.3-57.6-178.64.500111.7N78N78-Q80 PolarHBondContact O-N 3.42Å; N78-Q80 WeakPolarHBondContact OD1-CB 3.48Å; N78-Q80 PolarHBondContact OD1-N 3.39Å
81E95Very high96.8Very high127 Ų12738.5 Ų38.559%0.59319%0.194SC*.THydrogen-bonded Turntrans-99-0.9178.2-62.9-175.2167.700113.3N78 P79 T83N78-E81 WeakPolarHBondContact ND2-CG 3.31Å; N78-E81 PolarHBondContact ND2-OE2 2.88Å; N78-E81 PolarHBondContact O-N 3.12Å; P79-E81 VanDerWaalsContact C-N 3.34Å; P79-E81 PolarHBondContact O-N 2.67Å; E81-T83 HydrophobicContact CB-CG2 3.85Å; E81-T83 PolarHBondContact O-N 3.17Å
82R96.5Very high96.8Very high111 Ų11137.1 Ų37.142%0.41919%0.189SC..THydrogen-bonded Turntrans51.541.9-167.3-54.1-172.6-58.5-102.78.2112.1N78 P79 L185 E187 L193N78-R82 PolarHBondContact O-N 2.81Å; N78-R82 VanDerWaalsContact O-N 3.11Å; P79-R82 PolarHBondContact O-N 3.37Å; R82-L185 WeakPolarHBondContact O-CB 3.3Å; R82-L185 PolarHBondContact O-N 2.92Å; R82-E187 IonicContact NH2-OE1 3.69Å; R82-L193 HydrophobicContact CB-CD1 4.43Å
83T97.8Very high96.8Very high2 Ų237.8 Ų37.81%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-113.3148.1178.461.50000111.5N78 E81 I182 L183 H184 L193N78-T83 WeakPolarHBondContact CA-O 3.28Å; N78-T83 WeakPolarHBondContact CB-OG1 3.37Å; N78-T83 PolarHBondContact N-O 3.21Å; N78-T83 PolarHBondContact O-N 3.15Å; E81-T83 HydrophobicContact CB-CG2 3.85Å; E81-T83 PolarHBondContact O-N 3.17Å; T83-I182 HydrophobicContact CG2-CG2 4.32Å; T83-L183 CarbonylContact C-O 3.53Å; T83-L183 WeakPolarHBondContact CA-O 3.17Å; T83-H184 WeakPolarHBondContact CG2-ND1 3.38Å; T83-L193 VanDerWaalsContact O-CD2 3.27Å; T83-L193 WeakPolarHBondContact O-CD2 3.14Å
84L98Very high96.8Very high3 Ų339 Ų392%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-119.7122.9169.1-17863.2000108.3F39 L40 I75 P77 L183 L185 L193F39-L84 HydrophobicContact CE2-CD2 4.03Å; F39-L84 HydrophobicContact CZ-CD2 4.15Å; L40-L84 HydrophobicContact CD2-CD2 4.04Å; I75-L84 HydrophobicContact CG2-CD1 3.77Å; P77-L84 HydrophobicContact CB-CD1 3.97Å; P77-L84 HydrophobicContact CG-CD1 3.86Å; L84-L183 HydrophobicContact CB-CB 4.33Å; L84-L183 HydrophobicContact CB-CD1 4.41Å; L84-L183 HydrophobicContact CD2-CD1 4.38Å; L84-L183 PolarHBondContact N-O 3.06Å; L84-L183 WeakPolarHBondContact O-CB 3.47Å; L84-L183 PolarHBondContact O-N 3.32Å; L84-L185 HydrophobicContact CB-CD1 4.29Å; L84-L185 HydrophobicContact CB-CD2 4.41Å; L84-L185 HydrophobicContact CB-CG 4.48Å; L84-L193 HydrophobicContact CB-CD2 4.39Å
85T98.1Very high96.8Very high13 Ų1342.9 Ų42.98%0.0822%0.217CC..EExtended strand (participates in β ladder)trans-106.7126.1-178.8-61.30000109.9I76 V87 K180 V181 I182I76-T85 PolarHBondContact N-O 3.2Å; I76-T85 PolarHBondContact O-N 3.2Å; T85-V87 HydrophobicContact CG2-CG2 3.89Å; T85-K180 HydrophobicContact CG2-CD 4.08Å; T85-K180 VanDerWaalsContact CG2-CE 3.49Å; T85-K180 HydrophobicContact CG2-CG 3.51Å; T85-V181 CarbonylContact C-O 3.58Å; T85-V181 WeakPolarHBondContact CA-O 3.46Å; T85-I182 HydrophobicContact CG2-CG1 4.44Å
86L98.2Very high96.7Very high6 Ų645.2 Ų45.23%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-107123.9168.2-173.575.6000108.8L43 I44 A47 I73 D74 I75 K180 V181L43-L86 HydrophobicContact CB-CD2 3.58Å; I44-L86 HydrophobicContact CG1-CD1 4.38Å; A47-L86 HydrophobicContact CB-CD2 4.48Å; I73-L86 HydrophobicContact CG2-CD1 3.52Å; I73-L86 HydrophobicContact CG2-CG 4.16Å; D74-L86 CarbonylContact O-C 3.52Å; D74-L86 WeakPolarHBondContact O-CA 3.35Å; I75-L86 HydrophobicContact CG1-CD1 3.62Å; L86-K180 CarbonylContact O-C 3.59Å; L86-K180 WeakPolarHBondContact O-CA 3.47Å; L86-V181 HydrophobicContact CB-CB 4.38Å; L86-V181 PolarHBondContact N-O 2.67Å; L86-V181 PolarHBondContact O-N 3.11Å
87V98.1Very high96.6Very high34 Ų3445 Ų4521%0.20624%0.235CC..EExtended strand (participates in β ladder)trans-112118.6176.8-173.70000108.7I73 D74 I76 T85 T179 K180I73-V87 CarbonylContact C-O 3.58Å; I73-V87 WeakPolarHBondContact CA-O 3.28Å; D74-V87 HydrophobicContact CB-CB 4.23Å; D74-V87 PolarHBondContact N-O 2.82Å; D74-V87 PolarHBondContact O-N 3.43Å; I76-V87 HydrophobicContact CD1-CG2 4.07Å; T85-V87 HydrophobicContact CG2-CG2 3.89Å; V87-T179 WeakPolarHBondContact CA-O 3.36Å; V87-K180 HydrophobicContact CG2-CG 4.2Å
88D97.8Very high96.5Very high12 Ų1244 Ų446%0.06423%0.229CC..EExtended strand (participates in β ladder)trans-105.8141.2167.775.374.7000110.7A47 G90 G178 T179A47-D88 HydrophobicContact CB-CB 3.55Å; D88-G90 PolarHBondContact O-N 3.39Å; D88-G90 PolarHBondContact OD1-N 2.85Å; D88-G90 VanDerWaalsContact OD1-N 3.1Å; D88-G178 WeakPolarHBondContact O-CA 3.35Å; D88-T179 PolarHBondContact N-O 3.33Å; D88-T179 PolarHBondContact O-N 3.3Å; D88-T179 PolarHBondContact OD1-N 2.85Å; D88-T179 WeakPolarHBondContact OD2-CB 3.24Å
89T97.9Very high96.5Very high28 Ų2845.5 Ų45.517%0.17224%0.236CC..  trans-95.825.9176.149.90000111.6L51 E70 L71 K72 R177L51-T89 WeakPolarHBondContact CD2-OG1 3.43Å; E70-T89 PolarHBondContact O-OG1 2.94Å; L71-T89 WeakPolarHBondContact CA-OG1 3.36Å; K72-T89 HydrophobicContact CG-CG2 4.23Å; K72-T89 PolarHBondContact N-OG1 2.84Å; K72-T89 PolarHBondContact O-N 3.26Å; K72-T89 PolarHBondContact O-OG1 2.97Å; T89-R177 PolarHBondContact O-NE 2.79Å; T89-R177 PolarHBondContact O-NH2 3.5Å
90G97Very high96.5Very high0 Ų045 Ų450%023%0.229CC..SBendtrans-70.4-162.4-176.700000113.3A50 D88 G92 R177 G178A50-G90 WeakPolarHBondContact O-CA 3.47Å; D88-G90 PolarHBondContact O-N 3.39Å; D88-G90 PolarHBondContact OD1-N 2.85Å; D88-G90 VanDerWaalsContact OD1-N 3.1Å; G90-G92 VanDerWaalsContact C-N 3.3Å; G90-G92 PolarHBondContact O-N 2.93Å; G90-R177 WeakPolarHBondContact O-CD 3.49Å; G90-R177 VanDerWaalsContact O-CG 3.26Å; G90-R177 WeakPolarHBondContact O-CG 3.29Å; G90-R177 PolarHBondContact O-NE 3.04Å; G90-G178 WeakPolarHBondContact O-CA 3.45Å; G90-G178 PolarHBondContact O-N 3.12Å
91I96.3Very high96.4Very high26 Ų2638.6 Ų38.613%0.13320%0.2CC..  trans-68.1-25.9-178-164.2169.3000113.9A50 K53 I54 E57 H149A50-I91 PolarHBondContact O-N 3.33Å; A50-I91 VanDerWaalsContact O-N 3.1Å; K53-I91 HydrophobicContact CB-CB 4.26Å; K53-I91 HydrophobicContact CB-CD1 4.24Å; K53-I91 HydrophobicContact CB-CG2 3.96Å; K53-I91 HydrophobicContact CD-CG2 4.11Å; I54-I91 HydrophobicContact CB-CB 4.05Å; I54-I91 HydrophobicContact CD1-CG1 4.27Å; E57-I91 HydrophobicContact CG-CD1 4.08Å; I91-H149 PolarHBondContact O-CD2 3.06Å
92G96.7Very high96.2Very high8 Ų833.5 Ų33.58%0.08218%0.177CC..  trans78.7-174.6-172.700000113.2G90 T147G90-G92 VanDerWaalsContact C-N 3.3Å; G90-G92 PolarHBondContact O-N 2.93Å; G92-T147 WeakPolarHBondContact CA-OG1 3.48Å
93M97.6Very high95.7Very high41 Ų4129.2 Ų29.220%0.20217%0.168CC..  trans-133.2140.1179.7-75.6177.9-71.900110.4D97 L98 V145 T147 T179M93-D97 HydrophobicContact CB-CB 3.79Å; M93-D97 HydrophobicContact CG-CB 4Å; M93-L98 HydrophobicContact CB-CD2 4.37Å; M93-L98 HydrophobicContact CB-CG 4.36Å; M93-L98 HydrophobicContact CE-CD2 3.83Å; M93-L98 HydrophobicContact SD-CD2 4.23Å; M93-V145 HydrophobicContact CE-CG1 4.07Å; M93-T147 HydrophobicContact CB-CG2 3.96Å; M93-T147 PolarHBondContact N-OG1 3.38Å; M93-T147 WeakPolarHBondContact O-CG2 3.33Å; M93-T179 HydrophobicContact CE-CG2 4.29Å
94T97.3Very high95.2Very high25 Ų2531.7 Ų31.715%0.15318%0.183CC..  trans-73.1168.5169.4670000110.4A96 D97 L98 H149 D152T94-A96 PolarHBondContact O-N 3.49Å; T94-A96 PolarHBondContact OG1-N 3.31Å; T94-D97 WeakPolarHBondContact CB-OD2 3.28Å; T94-D97 PolarHBondContact N-OD2 2.95Å; T94-D97 PolarHBondContact O-N 3.12Å; T94-D97 VanDerWaalsContact OG1-CG 3.28Å; T94-D97 PolarHBondContact OG1-N 2.81Å; T94-D97 VanDerWaalsContact OG1-N 3.13Å; T94-D97 PolarHBondContact OG1-OD2 3.39Å; T94-L98 PolarHBondContact O-N 2.91Å; T94-H149 HydrophobicContact CG2-CB 4Å; T94-D152 WeakPolarHBondContact CB-OD2 3.33Å; T94-D152 HydrophobicContact CG2-CB 3.93Å
95K97.5Very high94.7Very high93 Ų9333.1 Ų33.140%0.40419%0.19SC..Hα-helixtrans-54.8-38.4170.8-173.2179.6-178.8177.20111.7I99 D152 Y155 V167K95-I99 HydrophobicContact CG-CD1 4.3Å; K95-I99 WeakPolarHBondContact O-CG1 3.25Å; K95-I99 PolarHBondContact O-N 3.39Å; K95-D152 PolarHBondContact N-OD2 3.32Å; K95-Y155 HydrophobicContact CB-CD1 4.47Å; K95-Y155 HydrophobicContact CB-CD2 3.91Å; K95-Y155 HydrophobicContact CB-CE1 4.27Å; K95-Y155 HydrophobicContact CB-CE2 3.65Å; K95-Y155 HydrophobicContact CB-CG 4.31Å; K95-Y155 HydrophobicContact CD-CD1 4.35Å; K95-Y155 HydrophobicContact CD-CE1 3.81Å; K95-Y155 HydrophobicContact CG-CD1 4.36Å; K95-Y155 HydrophobicContact CG-CE1 4.22Å; K95-Y155 HydrophobicContact CG-CE2 4.46Å; K95-V167 HydrophobicContact CG-CG1 4.22Å
96A96.2Very high94.1Very high49 Ų4936 Ų3641%0.40522%0.215SC..Hα-helixtrans-66.2-40.2177.900000111.5T94 I99 N100T94-A96 PolarHBondContact O-N 3.49Å; T94-A96 PolarHBondContact OG1-N 3.31Å; A96-I99 PolarHBondContact O-N 2.87Å; A96-N100 WeakPolarHBondContact O-CB 3.49Å; A96-N100 VanDerWaalsContact O-CG 3.25Å; A96-N100 PolarHBondContact O-N 3.13Å; A96-N100 PolarHBondContact O-ND2 2.71Å; A96-N100 VanDerWaalsContact O-ND2 3.11Å
97D95.2Very high93.5Very high49 Ų4940.1 Ų40.126%0.26223%0.233SC..Hα-helixtrans-66.9-39.2177.4-66.2-53.8000112.6M93 T94 I99 N100 N101 L102M93-D97 HydrophobicContact CB-CB 3.79Å; M93-D97 HydrophobicContact CG-CB 4Å; T94-D97 WeakPolarHBondContact CB-OD2 3.28Å; T94-D97 PolarHBondContact N-OD2 2.95Å; T94-D97 PolarHBondContact O-N 3.12Å; T94-D97 VanDerWaalsContact OG1-CG 3.28Å; T94-D97 PolarHBondContact OG1-N 2.81Å; T94-D97 VanDerWaalsContact OG1-N 3.13Å; T94-D97 PolarHBondContact OG1-OD2 3.39Å; D97-I99 VanDerWaalsContact C-N 3.28Å; D97-I99 PolarHBondContact O-N 3.4Å; D97-N100 PolarHBondContact O-N 3.3Å; D97-N101 WeakPolarHBondContact O-CA 3.5Å; D97-N101 VanDerWaalsContact O-CB 3.26Å; D97-N101 WeakPolarHBondContact O-CB 3.1Å; D97-N101 PolarHBondContact O-N 2.92Å; D97-N101 PolarHBondContact OD1-ND2 2.82Å; D97-L102 PolarHBondContact O-N 2.98Å
98L95.1Very high92.9Very high0 Ų039.5 Ų39.50%023%0.23CC..Iπ-helixtrans-57.3-43.2173.9-74175.2000111.6M93 T94 L102 G103 V145 T147 W157 V167M93-L98 HydrophobicContact CB-CD2 4.37Å; M93-L98 HydrophobicContact CB-CG 4.36Å; M93-L98 HydrophobicContact CE-CD2 3.83Å; M93-L98 HydrophobicContact SD-CD2 4.23Å; T94-L98 PolarHBondContact O-N 2.91Å; L98-L102 HydrophobicContact CD2-CD2 3.86Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-G103 PolarHBondContact O-N 3.15Å; L98-V145 HydrophobicContact CD2-CG1 4.42Å; L98-T147 HydrophobicContact CD1-CG2 3.76Å; L98-T147 HydrophobicContact CD2-CG2 3.85Å; L98-T147 HydrophobicContact CG-CG2 3.93Å; L98-W157 HydrophobicContact CD1-CB 4.22Å; L98-W157 HydrophobicContact CD2-CB 3.94Å; L98-W157 HydrophobicContact CD2-CG 4.44Å; L98-V167 HydrophobicContact CD1-CG1 4.14Å
99I94.2Very high92.2Very high73 Ų7339.8 Ų39.837%0.37424%0.236SC..Iπ-helixtrans-73.9-47.2-180-63.4166.7000110.6K95 A96 D97 F165 V167K95-I99 HydrophobicContact CG-CD1 4.3Å; K95-I99 WeakPolarHBondContact O-CG1 3.25Å; K95-I99 PolarHBondContact O-N 3.39Å; A96-I99 PolarHBondContact O-N 2.87Å; D97-I99 VanDerWaalsContact C-N 3.28Å; D97-I99 PolarHBondContact O-N 3.4Å; I99-F165 HydrophobicContact CG1-CE2 4.46Å; I99-V167 HydrophobicContact CG1-CG2 4.29Å
100N92.6Very high91.6Very high77 Ų7738.9 Ų38.941%0.41223%0.23SC..Iπ-helixtrans-88-25.4-167-70.2-36.9000114.6A96 D97 T104 K107A96-N100 WeakPolarHBondContact O-CB 3.49Å; A96-N100 VanDerWaalsContact O-CG 3.25Å; A96-N100 PolarHBondContact O-N 3.13Å; A96-N100 PolarHBondContact O-ND2 2.71Å; A96-N100 VanDerWaalsContact O-ND2 3.11Å; D97-N100 PolarHBondContact O-N 3.3Å; N100-T104 WeakPolarHBondContact O-CB 3.48Å; N100-T104 PolarHBondContact O-OG1 2.91Å; N100-K107 WeakPolarHBondContact O-CD 3.44Å; N100-K107 WeakPolarHBondContact O-CE 3.06Å; N100-K107 PolarHBondContact O-NZ 2.83Å
101N91.9Very high91Very high34 Ų3444.2 Ų44.218%0.18225%0.254CS..Iπ-helixtrans-108.6-59.4-179-56.7-33.5000109.8D97 G103 T104D97-N101 WeakPolarHBondContact O-CA 3.5Å; D97-N101 VanDerWaalsContact O-CB 3.26Å; D97-N101 WeakPolarHBondContact O-CB 3.1Å; D97-N101 PolarHBondContact O-N 2.92Å; D97-N101 PolarHBondContact OD1-ND2 2.82Å; N101-G103 PolarHBondContact O-N 2.75Å; N101-T104 PolarHBondContact O-N 3.46Å
102L90.6Very high90.4Very high19 Ų1945.7 Ų45.710%0.09927%0.269CS..Iπ-helixtrans-68.9-35.5-176.7-164.770000112.7D97 L98 T104 F133 Y134 V145 W157D97-L102 PolarHBondContact O-N 2.98Å; L98-L102 HydrophobicContact CD2-CD2 3.86Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L102-T104 VanDerWaalsContact C-N 3.32Å; L102-T104 PolarHBondContact O-N 2.67Å; L102-F133 HydrophobicContact CD1-CB 4.24Å; L102-F133 HydrophobicContact CD1-CD1 3.38Å; L102-F133 HydrophobicContact CD1-CD2 3.68Å; L102-F133 HydrophobicContact CD1-CE1 3.5Å; L102-F133 VanDerWaalsContact CD1-CE1 3.5Å; L102-F133 HydrophobicContact CD1-CE2 3.8Å; L102-F133 HydrophobicContact CD1-CG 3.47Å; L102-F133 VanDerWaalsContact CD1-CG 3.47Å; L102-F133 HydrophobicContact CD1-CZ 3.71Å; L102-F133 HydrophobicContact CD2-CE1 4.23Å; L102-F133 HydrophobicContact CD2-CZ 4.07Å; L102-F133 HydrophobicContact CG-CD1 4.08Å; L102-F133 HydrophobicContact CG-CE1 3.8Å; L102-F133 HydrophobicContact CG-CZ 4.1Å; L102-Y134 PolarHBondContact O-OH 3.46Å; L102-V145 HydrophobicContact CD2-CB 4.08Å; L102-V145 HydrophobicContact CD2-CG1 4.11Å; L102-V145 HydrophobicContact CD2-CG2 3.97Å; L102-W157 HydrophobicContact CD2-CB 4.47Å; L102-W157 HydrophobicContact CD2-CD2 3.73Å; L102-W157 HydrophobicContact CD2-CE3 4.05Å; L102-W157 HydrophobicContact CD2-CG 3.92Å; L102-W157 HydrophobicContact CD2-CZ2 4.49Å
103G85.9Confident89.8Confident22 Ų2246.7 Ų46.723%0.22727%0.272CS..THydrogen-bonded Turntrans-79.8-3.6177.500000115.6L98 N101L98-G103 PolarHBondContact O-N 3.15Å; N101-G103 PolarHBondContact O-N 2.75Å
104T87.5Confident89Confident54 Ų5447.6 Ų47.633%0.33128%0.276SS..SBendtrans-119.5116-174.1-57.90000111.4N100 N101 L102 K107N100-T104 WeakPolarHBondContact O-CB 3.48Å; N100-T104 PolarHBondContact O-OG1 2.91Å; N101-T104 PolarHBondContact O-N 3.46Å; L102-T104 VanDerWaalsContact C-N 3.32Å; L102-T104 PolarHBondContact O-N 2.67Å; T104-K107 HydrophobicContact CG2-CB 3.75Å; T104-K107 HydrophobicContact CG2-CD 4.02Å; T104-K107 PolarHBondContact O-N 2.75Å
105I87.1Confident88.3Confident32 Ų3252 Ų5216%0.16430%0.295CS..THydrogen-bonded Turntrans-62.7139.6175.4-61.1174.1000110.3I21 L24 M25 I28 K107 V131 Y134I21-I105 HydrophobicContact CG2-CD1 4.04Å; L24-I105 HydrophobicContact CB-CD1 4.43Å; L24-I105 HydrophobicContact CD2-CB 4.4Å; L24-I105 HydrophobicContact CD2-CD1 3.95Å; L24-I105 HydrophobicContact CD2-CG2 3.82Å; L24-I105 HydrophobicContact CG-CD1 4.06Å; L24-I105 HydrophobicContact CG-CG2 4.34Å; M25-I105 HydrophobicContact CE-CD1 3.87Å; M25-I105 HydrophobicContact CE-CG1 4.13Å; I28-I105 HydrophobicContact CD1-CD1 4.16Å; I28-I105 HydrophobicContact CD1-CG1 4.43Å; I28-I105 HydrophobicContact CD1-CG2 3.56Å; I105-K107 PolarHBondContact O-N 2.92Å; I105-V131 HydrophobicContact CG2-CG1 4.31Å; I105-Y134 HydrophobicContact CB-CE2 4.37Å; I105-Y134 HydrophobicContact CG1-CE2 3.81Å
106A85.1Confident87.5Confident74 Ų7451.5 Ų51.561%0.61231%0.308SS*.THydrogen-bonded Turntrans6425.7178.400000114.3G130A106-G130 PolarHBondContact N-O 3.38Å
107K86.6Confident86.7Confident93 Ų9349.9 Ų49.940%0.40429%0.292SS..  trans-121.3129.8171.4-172.3161.4165.7-161.40110.1N100 T104 I105 G130N100-K107 WeakPolarHBondContact O-CD 3.44Å; N100-K107 WeakPolarHBondContact O-CE 3.06Å; N100-K107 PolarHBondContact O-NZ 2.83Å; T104-K107 HydrophobicContact CG2-CB 3.75Å; T104-K107 HydrophobicContact CG2-CD 4.02Å; T104-K107 PolarHBondContact O-N 2.75Å; I105-K107 PolarHBondContact O-N 2.92Å; K107-G130 WeakPolarHBondContact O-CA 3.36Å
108S85.7Confident85.3Confident20 Ų2055.9 Ų55.914%0.1432%0.319CS..  trans-127.6121.9-178.7175.80000110.9T110 K111 A112 G127S108-T110 PolarHBondContact O-N 2.85Å; S108-T110 WeakPolarHBondContact OG-CB 3.31Å; S108-T110 PolarHBondContact OG-N 2.89Å; S108-T110 VanDerWaalsContact OG-N 3.13Å; S108-K111 PolarHBondContact O-N 2.98Å; S108-K111 PolarHBondContact OG-N 2.98Å; S108-A112 PolarHBondContact O-N 2.96Å; S108-G127 WeakPolarHBondContact CB-O 3.41Å; S108-G127 PolarHBondContact OG-O 3.1Å
109G82.6Confident83.7Confident19 Ų1959.8 Ų59.820%0.19635%0.351CS..Hα-helixtrans-64.9-22.8170.400000112.7A112 F113G109-A112 PolarHBondContact O-N 2.85Å; G109-F113 WeakPolarHBondContact O-CB 3.34Å; G109-F113 PolarHBondContact O-N 3.44Å
110T84.2Confident82Confident9 Ų960.2 Ų60.26%0.05537%0.373CS..Hα-helixtrans-67.2-39.4173.6-57.70000111.2D49 K53 S108 F113 M114 M125D49-T110 HydrophobicContact CB-CG2 4.35Å; D49-T110 VanDerWaalsContact OD2-CG2 3.3Å; D49-T110 WeakPolarHBondContact OD2-CG2 3.41Å; D49-T110 PolarHBondContact OD2-OG1 3.08Å; K53-T110 PolarHBondContact NZ-OG1 3.04Å; S108-T110 PolarHBondContact O-N 2.85Å; S108-T110 WeakPolarHBondContact OG-CB 3.31Å; S108-T110 PolarHBondContact OG-N 2.89Å; S108-T110 VanDerWaalsContact OG-N 3.13Å; T110-F113 PolarHBondContact O-N 3.19Å; T110-M114 WeakPolarHBondContact O-CG 3.48Å; T110-M114 PolarHBondContact O-N 2.88Å; T110-M125 HydrophobicContact CG2-CB 3.45Å; T110-M125 VanDerWaalsContact CG2-CB 3.45Å; T110-M125 HydrophobicContact CG2-CG 3.75Å; T110-M125 HydrophobicContact CG2-SD 3.49Å; T110-M125 WeakPolarHBondContact CG2-SD 3.28Å
111K84.6Confident80.5Confident112 Ų11258 Ų5849%0.48737%0.366SS..Hα-helixtrans-63.7-46.7173.9-175.7-177.9175.6-172.70111.4S108 F113 M114 E115S108-K111 PolarHBondContact O-N 2.98Å; S108-K111 PolarHBondContact OG-N 2.98Å; K111-F113 VanDerWaalsContact C-N 3.3Å; K111-F113 PolarHBondContact O-N 3.25Å; K111-M114 WeakPolarHBondContact O-CB 3.21Å; K111-M114 PolarHBondContact O-N 3.24Å; K111-E115 WeakPolarHBondContact CE-OE1 3.36Å; K111-E115 WeakPolarHBondContact O-CG 3Å; K111-E115 PolarHBondContact O-N 3.08Å
112A84.6Confident79.2Confident56 Ų5663.7 Ų63.746%0.46340%0.396SS..Hα-helixtrans-61-39.5177.500000112.1S108 G109 E115 A116S108-A112 PolarHBondContact O-N 2.96Å; G109-A112 PolarHBondContact O-N 2.85Å; A112-E115 PolarHBondContact O-N 3.07Å; A112-A116 PolarHBondContact O-N 3.43Å
113F84.6Confident78.2Confident30 Ų3063.9 Ų63.913%0.13240%0.397CS..Hα-helixtrans-66.4-44.6175.6-164.8-95.3000111.4K53 Y56 G109 T110 K111 E115 A116 L117 I123 M125K53-F113 HydrophobicContact CB-CE1 4.26Å; K53-F113 HydrophobicContact CB-CE2 4.32Å; K53-F113 HydrophobicContact CB-CZ 4.03Å; K53-F113 HydrophobicContact CD-CD2 4.4Å; K53-F113 HydrophobicContact CD-CG 4.29Å; K53-F113 HydrophobicContact CG-CD1 3.78Å; K53-F113 HydrophobicContact CG-CD2 4.1Å; K53-F113 HydrophobicContact CG-CE1 3.73Å; K53-F113 HydrophobicContact CG-CE2 4.1Å; K53-F113 HydrophobicContact CG-CG 3.93Å; K53-F113 HydrophobicContact CG-CZ 3.9Å; Y56-F113 HydrophobicContact CD1-CE1 4.22Å; Y56-F113 AromaticContact CD1-CZ 3.72Å; Y56-F113 HydrophobicContact CD1-CZ 3.72Å; Y56-F113 HydrophobicContact CG-CZ 4.32Å; G109-F113 WeakPolarHBondContact O-CB 3.34Å; G109-F113 PolarHBondContact O-N 3.44Å; T110-F113 PolarHBondContact O-N 3.19Å; K111-F113 VanDerWaalsContact C-N 3.3Å; K111-F113 PolarHBondContact O-N 3.25Å; F113-E115 VanDerWaalsContact C-N 3.28Å; F113-E115 PolarHBondContact O-N 3.34Å; F113-A116 WeakPolarHBondContact O-CB 3.4Å; F113-A116 PolarHBondContact O-N 2.96Å; F113-L117 HydrophobicContact CD1-CD1 3.57Å; F113-L117 HydrophobicContact CD1-CD2 4.39Å; F113-L117 HydrophobicContact CD1-CG 3.88Å; F113-L117 HydrophobicContact CE1-CD1 3.6Å; F113-L117 HydrophobicContact CE1-CD2 3.92Å; F113-L117 HydrophobicContact CE1-CG 3.89Å; F113-L117 HydrophobicContact CZ-CD2 4.35Å; F113-L117 VanDerWaalsContact O-CG 3.28Å; F113-L117 WeakPolarHBondContact O-CG 3.42Å; F113-L117 PolarHBondContact O-N 3.18Å; F113-I123 HydrophobicContact CE1-CD1 4.38Å; F113-M125 HydrophobicContact CD1-CE 3.37Å; F113-M125 HydrophobicContact CD1-SD 3.87Å; F113-M125 HydrophobicContact CE1-CE 3.96Å; F113-M125 HydrophobicContact CG-CE 4.43Å
114M80.6Confident77.4Confident60 Ų6063.6 Ų63.630%0.29639%0.391SS..Hα-helixtrans-57-39172.8-75.5-64.4-61.300113T110 K111 A116 L117 M125T110-M114 WeakPolarHBondContact O-CG 3.48Å; T110-M114 PolarHBondContact O-N 2.88Å; K111-M114 WeakPolarHBondContact O-CB 3.21Å; K111-M114 PolarHBondContact O-N 3.24Å; M114-A116 VanDerWaalsContact C-N 3.33Å; M114-L117 PolarHBondContact O-N 3.37Å; M114-L117 HydrophobicContact SD-CD1 4.26Å; M114-M125 HydrophobicContact CG-CB 4.21Å; M114-M125 HydrophobicContact CG-CE 3.65Å; M114-M125 HydrophobicContact CG-SD 4.38Å; M114-M125 HydrophobicContact SD-CB 3.99Å; M114-M125 HydrophobicContact SD-CE 3.2Å; M114-M125 WeakPolarHBondContact SD-CE 3.1Å; M114-M125 HydrophobicContact SD-SD 4.42Å
115E81.9Confident76.9Confident118 Ų11861 Ų6155%0.55138%0.376SS*.Hα-helixtrans-67.4-31.8175.2-72.9172.3-17500112.4K111 A112 F113 Q118K111-E115 WeakPolarHBondContact CE-OE1 3.36Å; K111-E115 WeakPolarHBondContact O-CG 3Å; K111-E115 PolarHBondContact O-N 3.08Å; A112-E115 PolarHBondContact O-N 3.07Å; F113-E115 VanDerWaalsContact C-N 3.28Å; F113-E115 PolarHBondContact O-N 3.34Å; E115-Q118 WeakPolarHBondContact O-CG 3.33Å
116A81.7Confident76.4Confident81 Ų8160 Ų6067%0.66937%0.37SS*.Hα-helixtrans-74-26.8174.100000112.9A112 F113 M114 Q118A112-A116 PolarHBondContact O-N 3.43Å; F113-A116 WeakPolarHBondContact O-CB 3.4Å; F113-A116 PolarHBondContact O-N 2.96Å; M114-A116 VanDerWaalsContact C-N 3.33Å; A116-Q118 PolarHBondContact O-N 2.66Å; A116-Q118 VanDerWaalsContact O-N 3.15Å
117L77.9Confident75.7Confident15 Ų1556.8 Ų56.88%0.07935%0.345CS..THydrogen-bonded Turntrans-77.917.5-177-71.9178.7000115.6Y56 F113 M114 A119 A121 I123 M125Y56-L117 HydrophobicContact CD1-CD2 3.53Å; Y56-L117 HydrophobicContact CD2-CD2 4.11Å; Y56-L117 HydrophobicContact CE1-CD2 3.11Å; Y56-L117 HydrophobicContact CE2-CD2 3.71Å; Y56-L117 HydrophobicContact CG-CD2 3.97Å; F113-L117 HydrophobicContact CD1-CD1 3.57Å; F113-L117 HydrophobicContact CD1-CD2 4.39Å; F113-L117 HydrophobicContact CD1-CG 3.88Å; F113-L117 HydrophobicContact CE1-CD1 3.6Å; F113-L117 HydrophobicContact CE1-CD2 3.92Å; F113-L117 HydrophobicContact CE1-CG 3.89Å; F113-L117 HydrophobicContact CZ-CD2 4.35Å; F113-L117 VanDerWaalsContact O-CG 3.28Å; F113-L117 WeakPolarHBondContact O-CG 3.42Å; F113-L117 PolarHBondContact O-N 3.18Å; M114-L117 PolarHBondContact O-N 3.37Å; M114-L117 HydrophobicContact SD-CD1 4.26Å; L117-A119 PolarHBondContact O-N 3.22Å; L117-A121 HydrophobicContact CB-CB 4.26Å; L117-A121 HydrophobicContact CD1-CB 4.38Å; L117-A121 HydrophobicContact CD2-CB 3.88Å; L117-A121 HydrophobicContact CG-CB 4.41Å; L117-I123 HydrophobicContact CD1-CB 3.99Å; L117-I123 HydrophobicContact CD1-CD1 3.59Å; L117-I123 HydrophobicContact CD1-CG1 4.33Å; L117-I123 HydrophobicContact CD1-CG2 4.32Å; L117-I123 HydrophobicContact CD2-CD1 4.03Å; L117-I123 HydrophobicContact CG-CD1 4.48Å; L117-M125 HydrophobicContact CD1-CE 3.44Å; L117-M125 VanDerWaalsContact CD1-CE 3.44Å
118Q67.1Low75.3Confident176 Ų17657 Ų5782%0.82235%0.347SS*.THydrogen-bonded Turntrans-56.7-15.4-177.8-62.4-147.5-18.100114.4E115 A116 G120E115-Q118 WeakPolarHBondContact O-CG 3.33Å; A116-Q118 PolarHBondContact O-N 2.66Å; A116-Q118 VanDerWaalsContact O-N 3.15Å; Q118-G120 VanDerWaalsContact C-N 3.31Å; Q118-G120 PolarHBondContact O-N 2.87Å; Q118-G120 VanDerWaalsContact O-N 3.08Å
119A61Low75Confident81 Ų8159.2 Ų59.267%0.66935%0.354SS*.THydrogen-bonded Turntrans-80.766.8172.900000112.8L117 A121L117-A119 PolarHBondContact O-N 3.22Å; A119-A121 VanDerWaalsContact C-N 3.25Å; A119-A121 PolarHBondContact O-N 3.03Å
120G57.5Low75.1Confident82 Ų8259.2 Ų59.285%0.84535%0.354SS*.THydrogen-bonded Turntrans56.327.2158.700000117.2Q118Q118-G120 VanDerWaalsContact C-N 3.31Å; Q118-G120 PolarHBondContact O-N 2.87Å; Q118-G120 VanDerWaalsContact O-N 3.08Å
121A61.2Low75.2Confident32 Ų3259.2 Ų59.226%0.26435%0.354SS..  trans-77.2131.1-178.200000111.7Y56 L117 A119 I123Y56-A121 HydrophobicContact CD2-CB 4.15Å; Y56-A121 HydrophobicContact CE2-CB 3.5Å; Y56-A121 VanDerWaalsContact CE2-CB 3.5Å; L117-A121 HydrophobicContact CB-CB 4.26Å; L117-A121 HydrophobicContact CD1-CB 4.38Å; L117-A121 HydrophobicContact CD2-CB 3.88Å; L117-A121 HydrophobicContact CG-CB 4.41Å; A119-A121 VanDerWaalsContact C-N 3.25Å; A119-A121 PolarHBondContact O-N 3.03Å; A121-I123 HydrophobicContact CB-CD1 4Å; A121-I123 HydrophobicContact CB-CG1 4.13Å; A121-I123 PolarHBondContact O-N 3.49Å
122D66.3Low75.5Confident152 Ų15254.3 Ų54.381%0.81334%0.336SS*.  trans-77.864.6170.9-176.523.6000110.4
123I69.4Low75.9Confident24 Ų2452.8 Ų52.812%0.12332%0.318CS..  trans-124.4118.9-179.9-58171.7000110.1D52 Y56 F113 L117 A121 M125D52-I123 HydrophobicContact CB-CG2 4.22Å; Y56-I123 HydrophobicContact CD1-CD1 4.27Å; Y56-I123 HydrophobicContact CD2-CD1 3.22Å; Y56-I123 HydrophobicContact CD2-CG1 4.26Å; Y56-I123 HydrophobicContact CE2-CD1 4.01Å; Y56-I123 HydrophobicContact CG-CD1 3.31Å; F113-I123 HydrophobicContact CE1-CD1 4.38Å; L117-I123 HydrophobicContact CD1-CB 3.99Å; L117-I123 HydrophobicContact CD1-CD1 3.59Å; L117-I123 HydrophobicContact CD1-CG1 4.33Å; L117-I123 HydrophobicContact CD1-CG2 4.32Å; L117-I123 HydrophobicContact CD2-CD1 4.03Å; L117-I123 HydrophobicContact CG-CD1 4.48Å; A121-I123 HydrophobicContact CB-CD1 4Å; A121-I123 HydrophobicContact CB-CG1 4.13Å; A121-I123 PolarHBondContact O-N 3.49Å; I123-M125 HydrophobicContact CB-CE 4.31Å; I123-M125 HydrophobicContact CG2-CE 3.44Å; I123-M125 VanDerWaalsContact CG2-CE 3.44Å; I123-M125 HydrophobicContact CG2-CG 3.94Å; I123-M125 HydrophobicContact CG2-SD 4.39Å
124S67.5Low76.3Confident15 Ų1551.8 Ų51.811%0.10531%0.314CS..  trans-104.4102.1173.3179.90000109.8R358 E384S124-R358 VanDerWaalsContact CA-NH1 3.27Å; S124-R358 VanDerWaalsContact OG-CD 3.29Å; S124-R358 WeakPolarHBondContact OG-CD 3.44Å; S124-R358 WeakPolarHBondContact OG-CG 3.42Å; S124-R358 PolarHBondContact OG-NH1 3.43Å; S124-E384 VanDerWaalsContact CB-OE2 3.3Å; S124-E384 WeakPolarHBondContact CB-OE2 3.33Å; S124-E384 PolarHBondContact OG-OE2 2.89Å
125M78.6Confident76.9Confident0 Ų049 Ų490%030%0.3CS..  trans-103.6145.1177-89.2175-79.900112.3D49 K53 T110 F113 M114 L117 I123 R358D49-M125 HydrophobicContact CB-CG 4.35Å; D49-M125 WeakPolarHBondContact OD1-CA 3.27Å; K53-M125 HydrophobicContact CG-SD 4.25Å; T110-M125 HydrophobicContact CG2-CB 3.45Å; T110-M125 VanDerWaalsContact CG2-CB 3.45Å; T110-M125 HydrophobicContact CG2-CG 3.75Å; T110-M125 HydrophobicContact CG2-SD 3.49Å; T110-M125 WeakPolarHBondContact CG2-SD 3.28Å; F113-M125 HydrophobicContact CD1-CE 3.37Å; F113-M125 HydrophobicContact CD1-SD 3.87Å; F113-M125 HydrophobicContact CE1-CE 3.96Å; F113-M125 HydrophobicContact CG-CE 4.43Å; M114-M125 HydrophobicContact CG-CB 4.21Å; M114-M125 HydrophobicContact CG-CE 3.65Å; M114-M125 HydrophobicContact CG-SD 4.38Å; M114-M125 HydrophobicContact SD-CB 3.99Å; M114-M125 HydrophobicContact SD-CE 3.2Å; M114-M125 WeakPolarHBondContact SD-CE 3.1Å; M114-M125 HydrophobicContact SD-SD 4.42Å; L117-M125 HydrophobicContact CD1-CE 3.44Å; L117-M125 VanDerWaalsContact CD1-CE 3.44Å; I123-M125 HydrophobicContact CB-CE 4.31Å; I123-M125 HydrophobicContact CG2-CE 3.44Å; I123-M125 VanDerWaalsContact CG2-CE 3.44Å; I123-M125 HydrophobicContact CG2-CG 3.94Å; I123-M125 HydrophobicContact CG2-SD 4.39Å; M125-R358 WeakPolarHBondContact O-CD 3.48Å; M125-R358 PolarHBondContact O-NE 2.61Å
126I74.9Confident77.6Confident10 Ų1043.3 Ų43.35%0.05127%0.274CS..  trans-96-44.7-168.8-62151.7000111.5D49 Q128 I209 R358 V360 R392D49-I126 PolarHBondContact OD1-N 3.29Å; I126-Q128 PolarHBondContact O-N 2.99Å; I126-I209 HydrophobicContact CD1-CD1 4.37Å; I126-R358 HydrophobicContact CG1-CB 3.97Å; I126-V360 HydrophobicContact CD1-CG2 3.42Å; I126-V360 VanDerWaalsContact CD1-CG2 3.42Å; I126-V360 HydrophobicContact CG1-CG2 3.95Å; I126-V360 HydrophobicContact CG2-CG2 4.17Å; I126-R392 VanDerWaalsContact CG2-NH1 3.28Å; I126-R392 VanDerWaalsContact O-CZ 3.3Å; I126-R392 PolarHBondContact O-NH1 3.43Å; I126-R392 PolarHBondContact O-NH2 3.44Å
127G71.4Confident78.3Confident7 Ų739.8 Ų39.87%0.07224%0.243CC..  trans-77.861.7-16200000117.5D49 S108D49-G127 VanDerWaalsContact OD2-CA 3.29Å; D49-G127 WeakPolarHBondContact OD2-CA 3.46Å; D49-G127 PolarHBondContact OD2-N 3.43Å; S108-G127 WeakPolarHBondContact CB-O 3.41Å; S108-G127 PolarHBondContact OG-O 3.1Å
128Q77.3Confident79Confident97 Ų9739.6 Ų39.645%0.45324%0.242SC..  trans-82.7-26.4-173.7-61-175.61.400116.3I126I126-Q128 PolarHBondContact O-N 2.99Å
129F80.4Confident80.4Confident67 Ų6731.2 Ų31.229%0.29420%0.203SC..SBendtrans-76.8-31.7-170.9-60.7-67.8000115.3V131 I390 R392F129-V131 HydrophobicContact CB-CG2 3.98Å; F129-I390 HydrophobicContact CB-CD1 4.18Å; F129-I390 HydrophobicContact CD1-CD1 3.9Å; F129-I390 HydrophobicContact CE1-CD1 4.44Å; F129-I390 HydrophobicContact CG-CD1 3.98Å; F129-R392 HydrophobicContact CE2-CG 4.01Å
130G84.1Confident82.2Confident19 Ų1927.4 Ų27.420%0.19617%0.172CC..SBendtrans73.328-175.100000114.8A106 K107A106-G130 PolarHBondContact N-O 3.38Å; K107-G130 WeakPolarHBondContact O-CA 3.36Å
131V87.5Confident84Confident9 Ų928.5 Ų28.56%0.05515%0.154CC..  trans-127.1-13.5175.5-60.30000114.1I28 I105 F129 F133 Y134 I390I28-V131 HydrophobicContact CD1-CG1 4.24Å; I105-V131 HydrophobicContact CG2-CG1 4.31Å; F129-V131 HydrophobicContact CB-CG2 3.98Å; V131-F133 VanDerWaalsContact C-N 3.32Å; V131-F133 PolarHBondContact O-N 2.66Å; V131-Y134 PolarHBondContact O-N 3.34Å; V131-I390 HydrophobicContact CG2-CD1 3.85Å; V131-I390 HydrophobicContact CG2-CG1 4.32Å
132G89.2Confident85.7Confident9 Ų930 Ų309%0.09316%0.155CC..G310 helixtrans-61.2-34.9-173.100000113.9E42 Y134 S135E42-G132 WeakPolarHBondContact CB-O 3.48Å; E42-G132 WeakPolarHBondContact OE2-CA 3.36Å; G132-Y134 VanDerWaalsContact C-N 3.31Å; G132-Y134 PolarHBondContact O-N 2.92Å; G132-S135 VanDerWaalsContact O-CB 3.28Å; G132-S135 WeakPolarHBondContact O-CB 3.21Å; G132-S135 PolarHBondContact O-N 2.98Å; G132-S135 VanDerWaalsContact O-N 3.15Å; G132-S135 PolarHBondContact O-OG 3.23Å
133F93.8Very high87.3Confident24 Ų2422.8 Ų22.811%0.10512%0.117CC..G310 helixtrans-57.8-41.1177.9172.3-105.2000112.9L43 L102 V131 S135 A136 V143 V145 W157L43-F133 HydrophobicContact CD2-CD2 4.28Å; L102-F133 HydrophobicContact CD1-CB 4.24Å; L102-F133 HydrophobicContact CD1-CD1 3.38Å; L102-F133 HydrophobicContact CD1-CD2 3.68Å; L102-F133 HydrophobicContact CD1-CE1 3.5Å; L102-F133 VanDerWaalsContact CD1-CE1 3.5Å; L102-F133 HydrophobicContact CD1-CE2 3.8Å; L102-F133 HydrophobicContact CD1-CG 3.47Å; L102-F133 VanDerWaalsContact CD1-CG 3.47Å; L102-F133 HydrophobicContact CD1-CZ 3.71Å; L102-F133 HydrophobicContact CD2-CE1 4.23Å; L102-F133 HydrophobicContact CD2-CZ 4.07Å; L102-F133 HydrophobicContact CG-CD1 4.08Å; L102-F133 HydrophobicContact CG-CE1 3.8Å; L102-F133 HydrophobicContact CG-CZ 4.1Å; V131-F133 VanDerWaalsContact C-N 3.32Å; V131-F133 PolarHBondContact O-N 2.66Å; F133-S135 PolarHBondContact O-N 3.49Å; F133-S135 VanDerWaalsContact O-N 3.13Å; F133-A136 VanDerWaalsContact O-CB 3.28Å; F133-A136 WeakPolarHBondContact O-CB 3.06Å; F133-A136 PolarHBondContact O-N 3.18Å; F133-A136 VanDerWaalsContact O-N 3.07Å; F133-V143 HydrophobicContact CE2-CG1 4.16Å; F133-V143 HydrophobicContact CZ-CG1 3.83Å; F133-V145 HydrophobicContact CE2-CG2 3.75Å; F133-V145 HydrophobicContact CZ-CG2 3.65Å; F133-W157 AromaticContact CE1-CH2 3.8Å; F133-W157 HydrophobicContact CE1-CH2 3.8Å; F133-W157 HydrophobicContact CE1-CZ2 4.48Å; F133-W157 HydrophobicContact CE1-CZ3 4.05Å; F133-W157 HydrophobicContact CZ-CH2 4.13Å; F133-W157 AromaticContact CZ-CZ3 3.88Å; F133-W157 HydrophobicContact CZ-CZ3 3.88Å
134Y93.2Very high88.6Confident10 Ų1022.1 Ų22.14%0.03911%0.113CC..G310 helixtrans-69.1-12.6-177.2-55.4-65.4000113.3M25 L102 I105 V131 G132 A136 Y137M25-Y134 HydrophobicContact CE-CD1 3.49Å; M25-Y134 VanDerWaalsContact CE-CD1 3.49Å; M25-Y134 HydrophobicContact CE-CE1 3.54Å; M25-Y134 HydrophobicContact CE-CG 4.01Å; M25-Y134 HydrophobicContact SD-CD1 3.72Å; M25-Y134 HydrophobicContact SD-CE1 4.39Å; M25-Y134 HydrophobicContact SD-CG 3.84Å; L102-Y134 PolarHBondContact O-OH 3.46Å; I105-Y134 HydrophobicContact CB-CE2 4.37Å; I105-Y134 HydrophobicContact CG1-CE2 3.81Å; V131-Y134 PolarHBondContact O-N 3.34Å; G132-Y134 VanDerWaalsContact C-N 3.31Å; G132-Y134 PolarHBondContact O-N 2.92Å; Y134-A136 PolarHBondContact O-N 3.31Å; Y134-Y137 HydrophobicContact CD1-CE2 4.38Å; Y134-Y137 PolarHBondContact O-N 2.9Å
135S93Very high90.1Very high0 Ų021.4 Ų21.40%011%0.109CC..G310 helixtrans-62.1-19.2170.172.70000113I38 G132 F133 Y137 L138I38-S135 VanDerWaalsContact CD1-CB 3.45Å; G132-S135 VanDerWaalsContact O-CB 3.28Å; G132-S135 WeakPolarHBondContact O-CB 3.21Å; G132-S135 PolarHBondContact O-N 2.98Å; G132-S135 VanDerWaalsContact O-N 3.15Å; G132-S135 PolarHBondContact O-OG 3.23Å; F133-S135 PolarHBondContact O-N 3.49Å; F133-S135 VanDerWaalsContact O-N 3.13Å; S135-Y137 PolarHBondContact O-N 2.93Å; S135-L138 WeakPolarHBondContact O-CB 3.34Å; S135-L138 WeakPolarHBondContact O-CD1 3.45Å; S135-L138 VanDerWaalsContact O-CG 3.24Å; S135-L138 WeakPolarHBondContact O-CG 3.4Å; S135-L138 PolarHBondContact O-N 3.22Å
136A96.3Very high91Very high0 Ų022.4 Ų22.40%011%0.114CC..G310 helixtrans-54.3-34.3172.400000112.6F133 Y134 L138 V139 A140 V143 L183F133-A136 VanDerWaalsContact O-CB 3.28Å; F133-A136 WeakPolarHBondContact O-CB 3.06Å; F133-A136 PolarHBondContact O-N 3.18Å; F133-A136 VanDerWaalsContact O-N 3.07Å; Y134-A136 PolarHBondContact O-N 3.31Å; A136-L138 PolarHBondContact O-N 2.9Å; A136-V139 PolarHBondContact O-N 2.98Å; A136-A140 WeakPolarHBondContact O-CB 3.35Å; A136-A140 PolarHBondContact O-N 2.68Å; A136-V143 HydrophobicContact CB-CG2 3.94Å; A136-L183 HydrophobicContact CB-CD2 3.86Å
137Y96Very high92.2Very high7 Ų722 Ų223%0.02711%0.111CC..G310 helixtrans-74.4-4.1178.4-64.6-76.1000114.3I29 Y134 S135 V139 A140 V143 W157 S159 A161 K186I29-Y137 HydrophobicContact CD1-CD2 4.44Å; I29-Y137 HydrophobicContact CD1-CG 4.19Å; Y134-Y137 HydrophobicContact CD1-CE2 4.38Å; Y134-Y137 PolarHBondContact O-N 2.9Å; S135-Y137 PolarHBondContact O-N 2.93Å; Y137-V139 PolarHBondContact O-N 3.34Å; Y137-A140 WeakPolarHBondContact CA-O 3.43Å; Y137-V143 HydrophobicContact CD1-CG2 4.03Å; Y137-V143 HydrophobicContact CE1-CB 4.09Å; Y137-V143 HydrophobicContact CE1-CG2 3.62Å; Y137-V143 HydrophobicContact CE2-CG2 4.18Å; Y137-V143 HydrophobicContact CG-CG2 4.48Å; Y137-W157 WeakPolarHBondContact OH-CH2 3.28Å; Y137-S159 WeakPolarHBondContact CE1-O 3.44Å; Y137-S159 VanDerWaalsContact OH-C 3.29Å; Y137-S159 VanDerWaalsContact OH-CB 3.31Å; Y137-S159 WeakPolarHBondContact OH-CB 3.23Å; Y137-S159 PolarHBondContact OH-O 2.86Å; Y137-A161 HydrophobicContact CD1-CB 3.69Å; Y137-A161 HydrophobicContact CD2-CB 3.94Å; Y137-A161 HydrophobicContact CE1-CB 3.78Å; Y137-A161 HydrophobicContact CE2-CB 4.04Å; Y137-A161 HydrophobicContact CG-CB 3.77Å; Y137-K186 WeakPolarHBondContact O-CE 3.48Å; Y137-K186 PolarHBondContact O-NZ 3.06Å
138L94.4Very high93.4Very high11 Ų1123.6 Ų23.66%0.05812%0.116CC..G310 helixtrans-58.6-41.6166.7-73.5167.1000110.4I29 Y33 K36 I38 S135 A136 K186I29-L138 HydrophobicContact CG2-CD2 4.38Å; I29-L138 WeakPolarHBondContact O-CD2 3.04Å; Y33-L138 HydrophobicContact CD2-CD1 3.99Å; Y33-L138 HydrophobicContact CG-CD1 4.11Å; K36-L138 HydrophobicContact CB-CB 4.47Å; K36-L138 HydrophobicContact CG-CB 4.39Å; I38-L138 HydrophobicContact CD1-CD1 3.71Å; I38-L138 HydrophobicContact CG1-CD1 4.03Å; S135-L138 WeakPolarHBondContact O-CB 3.34Å; S135-L138 WeakPolarHBondContact O-CD1 3.45Å; S135-L138 VanDerWaalsContact O-CG 3.24Å; S135-L138 WeakPolarHBondContact O-CG 3.4Å; S135-L138 PolarHBondContact O-N 3.22Å; A136-L138 PolarHBondContact O-N 2.9Å; L138-K186 PolarHBondContact O-NZ 2.77Å
139V96.5Very high94.4Very high0 Ų020.1 Ų20.10%010%0.1CC..THydrogen-bonded Turntrans-113.9-21.5-174.3-58.70000113.7K36 F39 A136 Y137 L185 K186 Q189 Y192K36-V139 HydrophobicContact CB-CG1 4.05Å; F39-V139 HydrophobicContact CB-CG2 4.31Å; F39-V139 HydrophobicContact CD1-CB 4.45Å; F39-V139 HydrophobicContact CD1-CG1 3.83Å; F39-V139 HydrophobicContact CD1-CG2 3.77Å; F39-V139 HydrophobicContact CD2-CG2 3.58Å; F39-V139 HydrophobicContact CE1-CB 4.45Å; F39-V139 HydrophobicContact CE1-CG1 3.97Å; F39-V139 HydrophobicContact CE1-CG2 3.86Å; F39-V139 HydrophobicContact CE2-CG2 3.7Å; F39-V139 HydrophobicContact CG-CG1 4.38Å; F39-V139 HydrophobicContact CG-CG2 3.6Å; F39-V139 HydrophobicContact CZ-CG2 3.81Å; A136-V139 PolarHBondContact O-N 2.98Å; Y137-V139 PolarHBondContact O-N 3.34Å; V139-L185 HydrophobicContact CB-CD2 4.47Å; V139-L185 HydrophobicContact CG2-CD2 4.07Å; V139-K186 WeakPolarHBondContact O-CG 2.84Å; V139-K186 PolarHBondContact O-N 2.68Å; V139-Q189 HydrophobicContact CB-CB 4.2Å; V139-Q189 HydrophobicContact CB-CG 4.22Å; V139-Q189 HydrophobicContact CG1-CG 4.48Å; V139-Y192 HydrophobicContact CB-CD2 4.45Å; V139-Y192 HydrophobicContact CG1-CD2 4.07Å; V139-Y192 HydrophobicContact CG1-CE2 3.71Å
140A97.3Very high95.1Very high1 Ų119 Ų191%0.00810%0.097CC..EExtended strand (participates in β ladder)trans-103142.9-18000000112.6A136 Y137 V143 L183 H184A136-A140 WeakPolarHBondContact O-CB 3.35Å; A136-A140 PolarHBondContact O-N 2.68Å; Y137-A140 WeakPolarHBondContact CA-O 3.43Å; A140-V143 HydrophobicContact CB-CG2 4.02Å; A140-L183 HydrophobicContact CB-CB 4.16Å; A140-L183 HydrophobicContact CB-CD2 4.41Å; A140-H184 CarbonylContact C-O 3.52Å; A140-H184 WeakPolarHBondContact CA-O 3.15Å; A140-H184 WeakPolarHBondContact CB-O 3.26Å
141E96.2Very high95.7Very high104 Ų10423.3 Ų23.349%0.48612%0.116SC..EExtended strand (participates in β ladder)trans-82.4-30.1170.1-64.2178.5-179.400111.4S160 H184 K186E141-S160 WeakPolarHBondContact O-CA 3.34Å; E141-S160 WeakPolarHBondContact O-CB 3.39Å; E141-H184 PolarHBondContact N-O 3.36Å; E141-K186 HydrophobicContact CG-CB 4.08Å; E141-K186 HydrophobicContact CG-CG 3.37Å; E141-K186 WeakPolarHBondContact OE1-CA 3.13Å
142K97.6Very high96.2Very high65 Ų6524.9 Ų24.928%0.28312%0.124SC..EExtended strand (participates in β ladder)trans-146.3139.6-177.1177.2-173.9177.7-179.70109.5E158 H184K142-E158 VanDerWaalsContact CE-CG 3.49Å; K142-E158 WeakPolarHBondContact CE-OE1 3.37Å; K142-E158 IonicContact NZ-OE1 2.79Å; K142-E158 PolarHBondContact NZ-OE1 3.03Å; K142-E158 IonicContact NZ-OE2 2.78Å; K142-H184 HydrophobicContact CB-CB 4.05Å; K142-H184 WeakPolarHBondContact O-CB 3.5Å; K142-H184 PolarHBondContact O-N 3.17Å
143V98.2Very high96.5Very high0 Ų030.7 Ų30.70%015%0.149CC..EExtended strand (participates in β ladder)trans-122.7129.8176.7-178.80000108.6F133 A136 Y137 A140 V145 W157 S159 V181 I182 L183F133-V143 HydrophobicContact CE2-CG1 4.16Å; F133-V143 HydrophobicContact CZ-CG1 3.83Å; A136-V143 HydrophobicContact CB-CG2 3.94Å; Y137-V143 HydrophobicContact CD1-CG2 4.03Å; Y137-V143 HydrophobicContact CE1-CB 4.09Å; Y137-V143 HydrophobicContact CE1-CG2 3.62Å; Y137-V143 HydrophobicContact CE2-CG2 4.18Å; Y137-V143 HydrophobicContact CG-CG2 4.48Å; A140-V143 HydrophobicContact CB-CG2 4.02Å; V143-V145 HydrophobicContact CG1-CG2 4Å; V143-W157 HydrophobicContact CB-CZ3 4.4Å; V143-W157 HydrophobicContact CG1-CZ3 4.43Å; V143-S159 PolarHBondContact N-O 3.44Å; V143-S159 PolarHBondContact O-N 3.09Å; V143-S159 VanDerWaalsContact O-N 3.11Å; V143-V181 HydrophobicContact CG1-CG1 4.02Å; V143-I182 WeakPolarHBondContact CA-O 3.44Å; V143-L183 HydrophobicContact CG1-CD2 4.13Å; V143-L183 HydrophobicContact CG2-CD2 3.93Å
144V98.1Very high96.7Very high9 Ų930.7 Ų30.76%0.05515%0.149CC..EExtended strand (participates in β ladder)trans-115.5129.6172-176.20000107.9I146 W157 E158 I182V144-I146 HydrophobicContact CG1-CG1 4.12Å; V144-W157 CarbonylContact C-O 3.54Å; V144-W157 WeakPolarHBondContact CA-O 3Å; V144-E158 HydrophobicContact CG2-CB 4.43Å; V144-E158 HydrophobicContact CG2-CG 4.09Å; V144-I182 HydrophobicContact CB-CB 4.21Å; V144-I182 PolarHBondContact N-O 3.04Å; V144-I182 PolarHBondContact O-N 3.46Å
145V98.3Very high97Very high1 Ų131.8 Ų31.81%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-119.9111179.6-179.40000108.1M93 L98 L102 F133 V143 W157 T179 K180 V181M93-V145 HydrophobicContact CE-CG1 4.07Å; L98-V145 HydrophobicContact CD2-CG1 4.42Å; L102-V145 HydrophobicContact CD2-CB 4.08Å; L102-V145 HydrophobicContact CD2-CG1 4.11Å; L102-V145 HydrophobicContact CD2-CG2 3.97Å; F133-V145 HydrophobicContact CE2-CG2 3.75Å; F133-V145 HydrophobicContact CZ-CG2 3.65Å; V143-V145 HydrophobicContact CG1-CG2 4Å; V145-W157 HydrophobicContact CB-CB 4.26Å; V145-W157 HydrophobicContact CB-CE3 4.17Å; V145-W157 HydrophobicContact CG2-CE3 3.91Å; V145-W157 HydrophobicContact CG2-CZ3 4.32Å; V145-W157 PolarHBondContact N-O 2.53Å; V145-W157 PolarHBondContact O-N 3.11Å; V145-T179 HydrophobicContact CG1-CG2 3.36Å; V145-K180 WeakPolarHBondContact CA-O 3.47Å; V145-V181 HydrophobicContact CG2-CG1 4.45Å; V145-V181 HydrophobicContact CG2-CG2 4.42Å
146I98.4Very high97.2Very high21 Ų2131.8 Ų31.811%0.10815%0.153CC..EExtended strand (participates in β ladder)trans-104.5125.2176.7-51.8178000107.5V144 Q154 Y155 A156 D170 I175 T179 K180 I182V144-I146 HydrophobicContact CG1-CG1 4.12Å; I146-Q154 HydrophobicContact CG2-CG 3.99Å; I146-Y155 WeakPolarHBondContact CA-O 3.48Å; I146-A156 HydrophobicContact CG1-CB 4.17Å; I146-D170 HydrophobicContact CG2-CB 4.27Å; I146-D170 WeakPolarHBondContact CG2-OD2 3.45Å; I146-I175 HydrophobicContact CB-CD1 4Å; I146-I175 HydrophobicContact CG2-CD1 3.58Å; I146-T179 CarbonylContact O-C 3.46Å; I146-T179 WeakPolarHBondContact O-CA 3.43Å; I146-T179 WeakPolarHBondContact O-CG2 3.49Å; I146-K180 HydrophobicContact CB-CB 4.36Å; I146-K180 PolarHBondContact N-O 3.33Å; I146-K180 PolarHBondContact O-N 3.19Å; I146-I182 HydrophobicContact CD1-CD1 4Å
147T98.4Very high97.3Very high0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-140148.1-173-1690000111.5G92 M93 L98 Q154 Y155 G178 T179G92-T147 WeakPolarHBondContact CA-OG1 3.48Å; M93-T147 HydrophobicContact CB-CG2 3.96Å; M93-T147 PolarHBondContact N-OG1 3.38Å; M93-T147 WeakPolarHBondContact O-CG2 3.33Å; L98-T147 HydrophobicContact CD1-CG2 3.76Å; L98-T147 HydrophobicContact CD2-CG2 3.85Å; L98-T147 HydrophobicContact CG-CG2 3.93Å; T147-Q154 WeakPolarHBondContact O-CA 3.4Å; T147-Y155 PolarHBondContact N-O 3.1Å; T147-Y155 PolarHBondContact O-N 2.85Å; T147-G178 WeakPolarHBondContact CA-O 3.3Å; T147-G178 PolarHBondContact OG1-O 2.97Å; T147-T179 PolarHBondContact OG1-OG1 3.14Å
148K98Very high97.4Very high41 Ų4133.8 Ų33.818%0.17816%0.163CC..EExtended strand (participates in β ladder)trans-133.3110.7172.6179.668.2171.869.80109.1D152 Q154 I175 G178K148-D152 WeakPolarHBondContact CD-O 3.44Å; K148-D152 WeakPolarHBondContact CE-O 3.37Å; K148-D152 PolarHBondContact NZ-O 3.42Å; K148-Q154 HydrophobicContact CB-CG 4.41Å; K148-Q154 HydrophobicContact CD-CB 4.1Å; K148-I175 HydrophobicContact CB-CB 4.24Å; K148-I175 HydrophobicContact CB-CG2 4.26Å; K148-I175 WeakPolarHBondContact CB-O 3.35Å; K148-I175 WeakPolarHBondContact CG-O 3.3Å; K148-G178 PolarHBondContact N-O 3.4Å; K148-G178 PolarHBondContact O-N 3.2Å; K148-G178 VanDerWaalsContact O-N 3.08Å
149H97.4Very high97.5Very high24 Ų2434 Ų3411%0.11117%0.165CC..  trans-85.6151.6166.3-168.6-98000110I91 T94 D151 D152I91-H149 PolarHBondContact O-CD2 3.06Å; T94-H149 HydrophobicContact CG2-CB 4Å; H149-D151 IonicContact CE1-OD2 3.25Å; H149-D151 PolarHBondContact CE1-OD2 3.35Å; H149-D151 WeakPolarHBondContact ND1-CB 3.22Å; H149-D151 PolarHBondContact ND1-N 2.79Å; H149-D151 IonicContact ND1-OD2 3.91Å; H149-D151 PolarHBondContact O-N 3.1Å; H149-D152 PolarHBondContact O-N 2.73Å
150N96.3Very high97.4Very high44 Ų4437.6 Ų37.624%0.23519%0.19CC..THydrogen-bonded Turntrans-60-33.3177.7-77.4-16.3000112.3K64 S67K64-N150 PolarHBondContact O-ND2 3.17Å; S67-N150 WeakPolarHBondContact CB-OD1 3.49Å; S67-N150 PolarHBondContact OG-OD1 3.03Å
151D96.1Very high97.1Very high110 Ų11038.7 Ų38.759%0.58820%0.199SC*.THydrogen-bonded Turntrans-94.710.4-174.6-52-30.4000114K64 H149K64-D151 IonicContact NZ-OD1 3.01Å; K64-D151 PolarHBondContact NZ-OD1 3.33Å; K64-D151 IonicContact NZ-OD2 3.73Å; H149-D151 IonicContact CE1-OD2 3.25Å; H149-D151 PolarHBondContact CE1-OD2 3.35Å; H149-D151 WeakPolarHBondContact ND1-CB 3.22Å; H149-D151 PolarHBondContact ND1-N 2.79Å; H149-D151 IonicContact ND1-OD2 3.91Å; H149-D151 PolarHBondContact O-N 3.1Å
152D97Very high96.5Very high41 Ų4136.9 Ų36.922%0.21921%0.208CC..SBendtrans-150.6172178.8-153.8-6.4000112T94 K95 K148 H149 Y155T94-D152 WeakPolarHBondContact CB-OD2 3.33Å; T94-D152 HydrophobicContact CG2-CB 3.93Å; K95-D152 PolarHBondContact N-OD2 3.32Å; K148-D152 WeakPolarHBondContact CD-O 3.44Å; K148-D152 WeakPolarHBondContact CE-O 3.37Å; K148-D152 PolarHBondContact NZ-O 3.42Å; H149-D152 PolarHBondContact O-N 2.73Å; D152-Y155 HydrophobicContact CB-CE2 4.5Å; D152-Y155 WeakPolarHBondContact OD1-CE2 3.33Å; D152-Y155 PolarHBondContact OD1-OH 3.06Å
153E96.8Very high96Very high131 Ų13136.1 Ų36.161%0.61222%0.219SC*.  trans-75.3173.9176.8-63.5-60156.300112.9Y155E153-Y155 HydrophobicContact CB-CE2 3.9Å; E153-Y155 WeakPolarHBondContact O-CD2 3.4Å; E153-Y155 WeakPolarHBondContact O-CE2 3.4Å
154Q98.1Very high95.7Very high25 Ų2540.4 Ų40.412%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-78.6128173.9-164.9170-51.300110.6I146 T147 K148 D170 E173I146-Q154 HydrophobicContact CG2-CG 3.99Å; T147-Q154 WeakPolarHBondContact O-CA 3.4Å; K148-Q154 HydrophobicContact CB-CG 4.41Å; K148-Q154 HydrophobicContact CD-CB 4.1Å; Q154-D170 HydrophobicContact CB-CB 4.41Å; Q154-D170 HydrophobicContact CG-CB 3.94Å; Q154-D170 PolarHBondContact NE2-OD2 2.84Å; Q154-D170 PolarHBondContact O-N 2.65Å; Q154-E173 PolarHBondContact NE2-O 3.16Å
155Y98.3Very high95.6Very high33 Ų3343.2 Ų43.213%0.12926%0.261CS..EExtended strand (participates in β ladder)trans-126.8145.8179.1-65.3-79.5000111.7K95 I146 T147 D152 E153 V167 R168K95-Y155 HydrophobicContact CB-CD1 4.47Å; K95-Y155 HydrophobicContact CB-CD2 3.91Å; K95-Y155 HydrophobicContact CB-CE1 4.27Å; K95-Y155 HydrophobicContact CB-CE2 3.65Å; K95-Y155 HydrophobicContact CB-CG 4.31Å; K95-Y155 HydrophobicContact CD-CD1 4.35Å; K95-Y155 HydrophobicContact CD-CE1 3.81Å; K95-Y155 HydrophobicContact CG-CD1 4.36Å; K95-Y155 HydrophobicContact CG-CE1 4.22Å; K95-Y155 HydrophobicContact CG-CE2 4.46Å; I146-Y155 WeakPolarHBondContact CA-O 3.48Å; T147-Y155 PolarHBondContact N-O 3.1Å; T147-Y155 PolarHBondContact O-N 2.85Å; D152-Y155 HydrophobicContact CB-CE2 4.5Å; D152-Y155 WeakPolarHBondContact OD1-CE2 3.33Å; D152-Y155 PolarHBondContact OD1-OH 3.06Å; E153-Y155 HydrophobicContact CB-CE2 3.9Å; E153-Y155 WeakPolarHBondContact O-CD2 3.4Å; E153-Y155 WeakPolarHBondContact O-CE2 3.4Å; Y155-V167 HydrophobicContact CD1-CG1 4.32Å; Y155-R168 CarbonylContact C-O 3.58Å; Y155-R168 WeakPolarHBondContact CA-O 3.33Å
156A98Very high95.5Very high0 Ų046.9 Ų46.90%028%0.283CS..EExtended strand (participates in β ladder)trans-108.7117.3170.400000109.9I146 V167 R168 D170I146-A156 HydrophobicContact CG1-CB 4.17Å; A156-V167 WeakPolarHBondContact O-CA 3.22Å; A156-R168 HydrophobicContact CB-CG 3.92Å; A156-R168 PolarHBondContact N-O 3.3Å; A156-R168 PolarHBondContact O-N 3.3Å; A156-D170 HydrophobicContact CB-CB 4.22Å
157W98.2Very high95.5Very high4 Ų447.8 Ų47.82%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-94.9138.4168.9178.2104.8000109.7L98 L102 F133 Y137 V143 V144 V145 F165 T166 V167L98-W157 HydrophobicContact CD1-CB 4.22Å; L98-W157 HydrophobicContact CD2-CB 3.94Å; L98-W157 HydrophobicContact CD2-CG 4.44Å; L102-W157 HydrophobicContact CD2-CB 4.47Å; L102-W157 HydrophobicContact CD2-CD2 3.73Å; L102-W157 HydrophobicContact CD2-CE3 4.05Å; L102-W157 HydrophobicContact CD2-CG 3.92Å; L102-W157 HydrophobicContact CD2-CZ2 4.49Å; F133-W157 AromaticContact CE1-CH2 3.8Å; F133-W157 HydrophobicContact CE1-CH2 3.8Å; F133-W157 HydrophobicContact CE1-CZ2 4.48Å; F133-W157 HydrophobicContact CE1-CZ3 4.05Å; F133-W157 HydrophobicContact CZ-CH2 4.13Å; F133-W157 AromaticContact CZ-CZ3 3.88Å; F133-W157 HydrophobicContact CZ-CZ3 3.88Å; Y137-W157 WeakPolarHBondContact OH-CH2 3.28Å; V143-W157 HydrophobicContact CB-CZ3 4.4Å; V143-W157 HydrophobicContact CG1-CZ3 4.43Å; V144-W157 CarbonylContact C-O 3.54Å; V144-W157 WeakPolarHBondContact CA-O 3Å; V145-W157 HydrophobicContact CB-CB 4.26Å; V145-W157 HydrophobicContact CB-CE3 4.17Å; V145-W157 HydrophobicContact CG2-CE3 3.91Å; V145-W157 HydrophobicContact CG2-CZ3 4.32Å; V145-W157 PolarHBondContact N-O 2.53Å; V145-W157 PolarHBondContact O-N 3.11Å; W157-F165 AromaticContact CD1-CD2 3.5Å; W157-F165 HydrophobicContact CD2-CB 4.46Å; W157-F165 AromaticContact CE2-CD2 3.98Å; W157-F165 AromaticContact CE2-CG 3.78Å; W157-F165 HydrophobicContact CH2-CB 4.49Å; W157-F165 HydrophobicContact CZ2-CB 3.56Å; W157-F165 HydrophobicContact CZ2-CD1 4.41Å; W157-F165 AromaticContact CZ2-CG 4Å; W157-F165 HydrophobicContact CZ2-CG 4Å; W157-F165 AromaticContact NE1-CD1 3.99Å; W157-F165 AromaticContact NE1-CD2 3.02Å; W157-F165 AromaticContact NE1-CE2 3.64Å; W157-F165 AromaticContact NE1-CG 3.23Å; W157-T166 CarbonylContact C-O 3.58Å; W157-T166 VanDerWaalsContact CA-O 3.29Å; W157-T166 WeakPolarHBondContact CA-O 3.5Å; W157-V167 HydrophobicContact CG-CG2 4.47Å
158E97.8Very high95.4Very high45 Ų4553.1 Ų53.121%0.2131%0.31CS..EExtended strand (participates in β ladder)trans-144.1130.8-176.2175.9174.8159.500111.8K142 V144 F165 T166 R168K142-E158 VanDerWaalsContact CE-CG 3.49Å; K142-E158 WeakPolarHBondContact CE-OE1 3.37Å; K142-E158 IonicContact NZ-OE1 2.79Å; K142-E158 PolarHBondContact NZ-OE1 3.03Å; K142-E158 IonicContact NZ-OE2 2.78Å; V144-E158 HydrophobicContact CG2-CB 4.43Å; V144-E158 HydrophobicContact CG2-CG 4.09Å; E158-F165 CarbonylContact O-C 3.59Å; E158-F165 WeakPolarHBondContact O-CA 3.25Å; E158-T166 PolarHBondContact N-O 3.44Å; E158-T166 PolarHBondContact O-N 2.97Å; E158-R168 IonicContact OE2-CZ 2.95Å; E158-R168 IonicContact OE2-NH1 3.91Å; E158-R168 PolarHBondContact OE2-NH1 3.01Å; E158-R168 IonicContact OE2-NH2 2.77Å; E158-R168 PolarHBondContact OE2-NH2 3.2Å
159S96.4Very high95.4Very high14 Ų1453.6 Ų53.610%0.09832%0.321CS..EExtended strand (participates in β ladder)trans-154.9148.7174.4-176.80000112.7Y137 V143 A161 S164Y137-S159 WeakPolarHBondContact CE1-O 3.44Å; Y137-S159 VanDerWaalsContact OH-C 3.29Å; Y137-S159 VanDerWaalsContact OH-CB 3.31Å; Y137-S159 WeakPolarHBondContact OH-CB 3.23Å; Y137-S159 PolarHBondContact OH-O 2.86Å; V143-S159 PolarHBondContact N-O 3.44Å; V143-S159 PolarHBondContact O-N 3.09Å; V143-S159 VanDerWaalsContact O-N 3.11Å; S159-A161 PolarHBondContact OG-N 3.42Å; S159-A161 VanDerWaalsContact OG-N 3.11Å; S159-S164 PolarHBondContact OG-O 3.38Å
160S94.1Very high95.3Very high77 Ų7754 Ų5454%0.53832%0.324SS..  trans-105.921.9170.954.60000112.8E141 G162E141-S160 WeakPolarHBondContact O-CA 3.34Å; E141-S160 WeakPolarHBondContact O-CB 3.39Å; S160-G162 PolarHBondContact O-N 2.9Å
161A90.8Very high95Very high24 Ų2460.3 Ų60.320%0.19835%0.352CS..SBendtrans58.214.4-174.500000115.4M25 I29 Y137 S159 G163M25-A161 HydrophobicContact CG-CB 4.1Å; I29-A161 HydrophobicContact CD1-CB 3.97Å; Y137-A161 HydrophobicContact CD1-CB 3.69Å; Y137-A161 HydrophobicContact CD2-CB 3.94Å; Y137-A161 HydrophobicContact CE1-CB 3.78Å; Y137-A161 HydrophobicContact CE2-CB 4.04Å; Y137-A161 HydrophobicContact CG-CB 3.77Å; S159-A161 PolarHBondContact OG-N 3.42Å; S159-A161 VanDerWaalsContact OG-N 3.11Å; A161-G163 PolarHBondContact O-N 2.82Å
162G84.2Confident94.6Very high65 Ų6557.2 Ų57.267%0.6735%0.346SS*.SBendtrans-77.328178.700000115.4S160S160-G162 PolarHBondContact O-N 2.9Å
163G86.6Confident94.2Very high50 Ų5061.8 Ų61.852%0.51537%0.366SS..SBendtrans85.4-1179.600000116.1A161A161-G163 PolarHBondContact O-N 2.82Å
164S92.2Very high93.9Very high89 Ų8961.1 Ų61.162%0.62237%0.373SS*.  trans-145.6166.8175.163.40000112.2S159S159-S164 PolarHBondContact OG-O 3.38Å
165F96.2Very high93.7Very high69 Ų6961.2 Ų61.230%0.30337%0.374SS..  trans-142.1160.6174.262.8-95.2000110I99 W157 E158 V167I99-F165 HydrophobicContact CG1-CE2 4.46Å; W157-F165 AromaticContact CD1-CD2 3.5Å; W157-F165 HydrophobicContact CD2-CB 4.46Å; W157-F165 AromaticContact CE2-CD2 3.98Å; W157-F165 AromaticContact CE2-CG 3.78Å; W157-F165 HydrophobicContact CH2-CB 4.49Å; W157-F165 HydrophobicContact CZ2-CB 3.56Å; W157-F165 HydrophobicContact CZ2-CD1 4.41Å; W157-F165 AromaticContact CZ2-CG 4Å; W157-F165 HydrophobicContact CZ2-CG 4Å; W157-F165 AromaticContact NE1-CD1 3.99Å; W157-F165 AromaticContact NE1-CD2 3.02Å; W157-F165 AromaticContact NE1-CE2 3.64Å; W157-F165 AromaticContact NE1-CG 3.23Å; E158-F165 CarbonylContact O-C 3.59Å; E158-F165 WeakPolarHBondContact O-CA 3.25Å; F165-V167 HydrophobicContact CD2-CG2 4.06Å; F165-V167 HydrophobicContact CE2-CG2 4.06Å
166T97Very high93.4Very high78 Ų7862 Ų6248%0.47939%0.392SS..EExtended strand (participates in β ladder)trans-120.6151.9176.763.50000110.5W157 E158W157-T166 CarbonylContact C-O 3.58Å; W157-T166 VanDerWaalsContact CA-O 3.29Å; W157-T166 WeakPolarHBondContact CA-O 3.5Å; E158-T166 PolarHBondContact N-O 3.44Å; E158-T166 PolarHBondContact O-N 2.97Å
167V97.4Very high93.4Very high40 Ų4062.7 Ų62.724%0.24240%0.395CS..EExtended strand (participates in β ladder)trans-132.4124.3174.8-176.80000108.3K95 L98 I99 Y155 A156 W157 F165K95-V167 HydrophobicContact CG-CG1 4.22Å; L98-V167 HydrophobicContact CD1-CG1 4.14Å; I99-V167 HydrophobicContact CG1-CG2 4.29Å; Y155-V167 HydrophobicContact CD1-CG1 4.32Å; A156-V167 WeakPolarHBondContact O-CA 3.22Å; W157-V167 HydrophobicContact CG-CG2 4.47Å; F165-V167 HydrophobicContact CD2-CG2 4.06Å; F165-V167 HydrophobicContact CE2-CG2 4.06Å
168R97Very high93.4Very high112 Ų11262.5 Ų62.542%0.42339%0.394SS..EExtended strand (participates in β ladder)trans-128.8156.2177.163.1178.8178-85.75.5110.5Y155 A156 E158Y155-R168 CarbonylContact C-O 3.58Å; Y155-R168 WeakPolarHBondContact CA-O 3.33Å; A156-R168 HydrophobicContact CB-CG 3.92Å; A156-R168 PolarHBondContact N-O 3.3Å; A156-R168 PolarHBondContact O-N 3.3Å; E158-R168 IonicContact OE2-CZ 2.95Å; E158-R168 IonicContact OE2-NH1 3.91Å; E158-R168 PolarHBondContact OE2-NH1 3.01Å; E158-R168 IonicContact OE2-NH2 2.77Å; E158-R168 PolarHBondContact OE2-NH2 3.2Å
169A96.5Very high93.4Very high50 Ų5060.7 Ų60.741%0.41339%0.386SS..EExtended strand (participates in β ladder)trans-62.2138.7163.700000108.4
170D95.4Very high93.5Very high33 Ų3362.1 Ų62.118%0.17639%0.391CS..  trans-93.5141.9175.6-170.423.8000110.8I146 Q154 A156 G172I146-D170 HydrophobicContact CG2-CB 4.27Å; I146-D170 WeakPolarHBondContact CG2-OD2 3.45Å; Q154-D170 HydrophobicContact CB-CB 4.41Å; Q154-D170 HydrophobicContact CG-CB 3.94Å; Q154-D170 PolarHBondContact NE2-OD2 2.84Å; Q154-D170 PolarHBondContact O-N 2.65Å; A156-D170 HydrophobicContact CB-CB 4.22Å; D170-G172 PolarHBondContact OD1-N 3.49Å
171H90.4Very high93.7Very high176 Ų17659 Ų5982%0.81537%0.368SS*.  trans-125.49.5179-58.7-53.9000111.7
172G87.2Confident94Very high46 Ų4659.1 Ų59.147%0.47437%0.365SS..SBendtrans-80.7-147.4177.800000113.7D170D170-G172 PolarHBondContact OD1-N 3.49Å
173E88.9Confident94.7Very high136 Ų13656.1 Ų56.164%0.63633%0.334SS*.SBendtrans-57.3124.7178.6-174.2-176.9-16800111.3Q154 I175 K180Q154-E173 PolarHBondContact NE2-O 3.16Å; E173-I175 PolarHBondContact O-N 2.97Å; E173-K180 IonicContact OE2-NZ 2.7Å; E173-K180 PolarHBondContact OE2-NZ 3.42Å
174P91.6Very high95.3Very high117 Ų11756.5 Ų56.576%0.7632%0.322SS*.PPolyproline II helixtrans-64.2125.6179.3-22.633.3000112.5
175I93.7Very high95.5Very high28 Ų2852.5 Ų52.514%0.14429%0.294CS..PPolyproline II helixtrans-99.5119.4171.4-58.1-179.8000107.7I146 K148 E173 K180I146-I175 HydrophobicContact CB-CD1 4Å; I146-I175 HydrophobicContact CG2-CD1 3.58Å; K148-I175 HydrophobicContact CB-CB 4.24Å; K148-I175 HydrophobicContact CB-CG2 4.26Å; K148-I175 WeakPolarHBondContact CB-O 3.35Å; K148-I175 WeakPolarHBondContact CG-O 3.3Å; E173-I175 PolarHBondContact O-N 2.97Å; I175-K180 HydrophobicContact CD1-CB 3.88Å
176G92.5Very high95.6Very high49 Ų4951.5 Ų51.551%0.50529%0.289SS..SBendtrans-63.8-47.1179.600000112.9
177R97Very high95.5Very high14 Ų1454.4 Ų54.45%0.05330%0.298CS..SBendtrans-161.1150.8174.5-165.2-171.359.3-131.9-7.1109.7K64 G68 T89 G90K64-R177 PolarHBondContact O-NH1 3.01Å; G68-R177 PolarHBondContact O-NH1 2.87Å; G68-R177 PolarHBondContact O-NH2 3.43Å; T89-R177 PolarHBondContact O-NE 2.79Å; T89-R177 PolarHBondContact O-NH2 3.5Å; G90-R177 WeakPolarHBondContact O-CD 3.49Å; G90-R177 VanDerWaalsContact O-CG 3.26Å; G90-R177 WeakPolarHBondContact O-CG 3.29Å; G90-R177 PolarHBondContact O-NE 3.04Å
178G97.7Very high95.5Very high0 Ų057.5 Ų57.50%031%0.313CS..EExtended strand (participates in β ladder)trans104.6-150.2172.900000112.1D88 G90 T147 K148D88-G178 WeakPolarHBondContact O-CA 3.35Å; G90-G178 WeakPolarHBondContact O-CA 3.45Å; G90-G178 PolarHBondContact O-N 3.12Å; T147-G178 WeakPolarHBondContact CA-O 3.3Å; T147-G178 PolarHBondContact OG1-O 2.97Å; K148-G178 PolarHBondContact N-O 3.4Å; K148-G178 PolarHBondContact O-N 3.2Å; K148-G178 VanDerWaalsContact O-N 3.08Å
179T98.4Very high95.5Very high8 Ų852.8 Ų52.85%0.04930%0.295CS..EExtended strand (participates in β ladder)trans-144.6140.6-171.9-50.60000112.4V87 D88 M93 V145 I146 T147 V181V87-T179 WeakPolarHBondContact CA-O 3.36Å; D88-T179 PolarHBondContact N-O 3.33Å; D88-T179 PolarHBondContact O-N 3.3Å; D88-T179 PolarHBondContact OD1-N 2.85Å; D88-T179 WeakPolarHBondContact OD2-CB 3.24Å; M93-T179 HydrophobicContact CE-CG2 4.29Å; V145-T179 HydrophobicContact CG1-CG2 3.36Å; I146-T179 CarbonylContact O-C 3.46Å; I146-T179 WeakPolarHBondContact O-CA 3.43Å; I146-T179 WeakPolarHBondContact O-CG2 3.49Å; T147-T179 PolarHBondContact OG1-OG1 3.14Å; T179-V181 HydrophobicContact CG2-CG2 4.16Å
180K98.2Very high95.4Very high44 Ų4453.5 Ų53.519%0.19130%0.295CS..EExtended strand (participates in β ladder)trans-110114.5170-176176.4-169.8175.70108.5T85 L86 V87 V145 I146 E173 I175 I182T85-K180 HydrophobicContact CG2-CD 4.08Å; T85-K180 VanDerWaalsContact CG2-CE 3.49Å; T85-K180 HydrophobicContact CG2-CG 3.51Å; L86-K180 CarbonylContact O-C 3.59Å; L86-K180 WeakPolarHBondContact O-CA 3.47Å; V87-K180 HydrophobicContact CG2-CG 4.2Å; V145-K180 WeakPolarHBondContact CA-O 3.47Å; I146-K180 HydrophobicContact CB-CB 4.36Å; I146-K180 PolarHBondContact N-O 3.33Å; I146-K180 PolarHBondContact O-N 3.19Å; E173-K180 IonicContact OE2-NZ 2.7Å; E173-K180 PolarHBondContact OE2-NZ 3.42Å; I175-K180 HydrophobicContact CD1-CB 3.88Å; K180-I182 HydrophobicContact CD-CD1 4.41Å; K180-I182 HydrophobicContact CD-CG1 4.45Å; K180-I182 HydrophobicContact CG-CD1 4.49Å; K180-I182 HydrophobicContact CG-CG1 4.05Å
181V98.4Very high95.5Very high11 Ų1155.6 Ų55.67%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-100.7112.3175.1-1770000108.6L43 T85 L86 V143 V145 T179 L183L43-V181 HydrophobicContact CD2-CG1 4.26Å; T85-V181 CarbonylContact C-O 3.58Å; T85-V181 WeakPolarHBondContact CA-O 3.46Å; L86-V181 HydrophobicContact CB-CB 4.38Å; L86-V181 PolarHBondContact N-O 2.67Å; L86-V181 PolarHBondContact O-N 3.11Å; V143-V181 HydrophobicContact CG1-CG1 4.02Å; V145-V181 HydrophobicContact CG2-CG1 4.45Å; V145-V181 HydrophobicContact CG2-CG2 4.42Å; T179-V181 HydrophobicContact CG2-CG2 4.16Å; V181-L183 HydrophobicContact CG1-CD2 3.81Å; V181-L183 HydrophobicContact CG1-CG 4.41Å
182I98.2Very high95.8Very high27 Ų2747.4 Ų47.414%0.13827%0.265CS..EExtended strand (participates in β ladder)trans-102.3115.7179.6-52.3171000108.1T83 T85 V143 V144 I146 K180T83-I182 HydrophobicContact CG2-CG2 4.32Å; T85-I182 HydrophobicContact CG2-CG1 4.44Å; V143-I182 WeakPolarHBondContact CA-O 3.44Å; V144-I182 HydrophobicContact CB-CB 4.21Å; V144-I182 PolarHBondContact N-O 3.04Å; V144-I182 PolarHBondContact O-N 3.46Å; I146-I182 HydrophobicContact CD1-CD1 4Å; K180-I182 HydrophobicContact CD-CD1 4.41Å; K180-I182 HydrophobicContact CD-CG1 4.45Å; K180-I182 HydrophobicContact CG-CD1 4.49Å; K180-I182 HydrophobicContact CG-CG1 4.05Å
183L98.5Very high96.2Very high1 Ų146.2 Ų46.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-99.5110.6178.7-54.3178.8000108.8F39 L43 T83 L84 A136 A140 V143 V181 L185F39-L183 HydrophobicContact CD2-CD1 3.82Å; F39-L183 HydrophobicContact CE2-CD1 3.57Å; L43-L183 HydrophobicContact CD1-CD1 3.74Å; L43-L183 HydrophobicContact CD1-CD2 4.22Å; L43-L183 HydrophobicContact CD1-CG 4.45Å; T83-L183 CarbonylContact C-O 3.53Å; T83-L183 WeakPolarHBondContact CA-O 3.17Å; L84-L183 HydrophobicContact CB-CB 4.33Å; L84-L183 HydrophobicContact CB-CD1 4.41Å; L84-L183 HydrophobicContact CD2-CD1 4.38Å; L84-L183 PolarHBondContact N-O 3.06Å; L84-L183 WeakPolarHBondContact O-CB 3.47Å; L84-L183 PolarHBondContact O-N 3.32Å; A136-L183 HydrophobicContact CB-CD2 3.86Å; A140-L183 HydrophobicContact CB-CB 4.16Å; A140-L183 HydrophobicContact CB-CD2 4.41Å; V143-L183 HydrophobicContact CG1-CD2 4.13Å; V143-L183 HydrophobicContact CG2-CD2 3.93Å; V181-L183 HydrophobicContact CG1-CD2 3.81Å; V181-L183 HydrophobicContact CG1-CG 4.41Å; L183-L185 HydrophobicContact CB-CD2 3.98Å; L183-L185 PolarHBondContact O-N 2.58Å
184H98.4Very high96.5Very high58 Ų5844.5 Ų44.527%0.26924%0.24SC..EExtended strand (participates in β ladder)trans-80.6100.5167.5-62.5-90.5000108T83 A140 E141 K142T83-H184 WeakPolarHBondContact CG2-ND1 3.38Å; A140-H184 CarbonylContact C-O 3.52Å; A140-H184 WeakPolarHBondContact CA-O 3.15Å; A140-H184 WeakPolarHBondContact CB-O 3.26Å; E141-H184 PolarHBondContact N-O 3.36Å; K142-H184 HydrophobicContact CB-CB 4.05Å; K142-H184 WeakPolarHBondContact O-CB 3.5Å; K142-H184 PolarHBondContact O-N 3.17Å
185L98Very high96.6Very high5 Ų542.6 Ų42.63%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-69.4144.8-172.5-58.6-178.5000110.9R82 L84 V139 L183 L193R82-L185 WeakPolarHBondContact O-CB 3.3Å; R82-L185 PolarHBondContact O-N 2.92Å; L84-L185 HydrophobicContact CB-CD1 4.29Å; L84-L185 HydrophobicContact CB-CD2 4.41Å; L84-L185 HydrophobicContact CB-CG 4.48Å; V139-L185 HydrophobicContact CB-CD2 4.47Å; V139-L185 HydrophobicContact CG2-CD2 4.07Å; L183-L185 HydrophobicContact CB-CD2 3.98Å; L183-L185 PolarHBondContact O-N 2.58Å; L185-L193 HydrophobicContact CD1-CD1 4.08Å; L185-L193 HydrophobicContact CD1-CD2 3.57Å; L185-L193 HydrophobicContact CD1-CG 3.62Å
186K97.3Very high96.6Very high49 Ų4948.6 Ų48.621%0.21324%0.242CC..  trans-58.8150.7169.2-67.2166.7-175.3173.70110Y137 L138 V139 E141 D188 Q189Y137-K186 WeakPolarHBondContact O-CE 3.48Å; Y137-K186 PolarHBondContact O-NZ 3.06Å; L138-K186 PolarHBondContact O-NZ 2.77Å; V139-K186 WeakPolarHBondContact O-CG 2.84Å; V139-K186 PolarHBondContact O-N 2.68Å; E141-K186 HydrophobicContact CG-CB 4.08Å; E141-K186 HydrophobicContact CG-CG 3.37Å; E141-K186 WeakPolarHBondContact OE1-CA 3.13Å; K186-D188 VanDerWaalsContact CB-OD1 3.22Å; K186-D188 WeakPolarHBondContact CB-OD1 3.39Å; K186-D188 PolarHBondContact O-N 2.67Å; K186-D188 VanDerWaalsContact O-N 3.12Å; K186-Q189 HydrophobicContact CB-CB 4.25Å; K186-Q189 HydrophobicContact CB-CG 3.78Å; K186-Q189 HydrophobicContact CD-CG 4.28Å; K186-Q189 PolarHBondContact O-N 2.83Å
187E95.7Very high96.8Very high139 Ų13947.5 Ų47.565%0.6522%0.222SC*.G310 helixtrans-56.8-30.3-179.1-63.7-170.4159.600113.2R82R82-E187 IonicContact NH2-OE1 3.69Å
188D96.5Very high96.7Very high105 Ų10546.8 Ų46.856%0.56122%0.22SC*.G310 helixtrans-90.75.3179.472.9-41000114.3K186K186-D188 VanDerWaalsContact CB-OD1 3.22Å; K186-D188 WeakPolarHBondContact CB-OD1 3.39Å; K186-D188 PolarHBondContact O-N 2.67Å; K186-D188 VanDerWaalsContact O-N 3.12Å
189Q96.6Very high96.5Very high12 Ų1249.3 Ų49.36%0.05623%0.231CC..G310 helixtrans-117.821.7-175.5-56.3-64.1-56.600112.6K36 V139 K186 E191 Y192K36-Q189 VanDerWaalsContact NZ-NE2 3.12Å; V139-Q189 HydrophobicContact CB-CB 4.2Å; V139-Q189 HydrophobicContact CB-CG 4.22Å; V139-Q189 HydrophobicContact CG1-CG 4.48Å; K186-Q189 HydrophobicContact CB-CB 4.25Å; K186-Q189 HydrophobicContact CB-CG 3.78Å; K186-Q189 HydrophobicContact CD-CG 4.28Å; K186-Q189 PolarHBondContact O-N 2.83Å; Q189-E191 PolarHBondContact O-N 2.92Å; Q189-Y192 HydrophobicContact CB-CD2 4.31Å; Q189-Y192 PolarHBondContact O-N 3.38Å
190T95.9Very high96.3Very high66 Ų6653 Ų5341%0.40525%0.247SC..G310 helixtrans-65.4-16.1177.952.10000113.5Y192 L193T190-Y192 PolarHBondContact O-N 3.49Å; T190-Y192 VanDerWaalsContact O-N 3.13Å; T190-L193 HydrophobicContact CG2-CD1 4.4Å; T190-L193 WeakPolarHBondContact O-CB 3.35Å; T190-L193 PolarHBondContact O-N 3.18Å
191E97Very high96.2Very high76 Ų7650.9 Ų50.936%0.35524%0.238SC..G310 helixtrans-55.2-29.5173.665165.4-16300112.8Q189 L193 E194 R197Q189-E191 PolarHBondContact O-N 2.92Å; E191-L193 PolarHBondContact O-N 3.37Å; E191-E194 WeakPolarHBondContact O-CB 3.1Å; E191-E194 PolarHBondContact O-N 2.99Å; E191-E194 VanDerWaalsContact O-N 3.13Å; E191-R197 WeakPolarHBondContact O-CB 3.18Å; E191-R197 WeakPolarHBondContact O-CG 3.42Å; E191-R197 IonicContact OE1-NE 3.59Å
192Y96.7Very high95.9Very high4 Ų450.4 Ų50.42%0.01624%0.236CC..G310 helixtrans-780.5179.3-65.1-71.1000113.9E37 F39 V139 Q189 T190 R197 V198 V201E37-Y192 HydrophobicContact CB-CE1 4.24Å; F39-Y192 AromaticContact CE1-CD1 3.51Å; F39-Y192 HydrophobicContact CE1-CD1 3.51Å; F39-Y192 HydrophobicContact CE1-CD2 4.05Å; F39-Y192 AromaticContact CE1-CE1 3.63Å; F39-Y192 HydrophobicContact CE1-CE1 3.63Å; F39-Y192 HydrophobicContact CE1-CE2 4.17Å; F39-Y192 AromaticContact CE1-CG 3.74Å; F39-Y192 HydrophobicContact CE1-CG 3.74Å; F39-Y192 AromaticContact CE1-CZ 3.98Å; F39-Y192 AromaticContact CZ-CD1 3.83Å; F39-Y192 HydrophobicContact CZ-CD1 3.83Å; F39-Y192 HydrophobicContact CZ-CD2 4.33Å; F39-Y192 HydrophobicContact CZ-CE1 4.41Å; F39-Y192 AromaticContact CZ-CG 3.8Å; F39-Y192 HydrophobicContact CZ-CG 3.8Å; V139-Y192 HydrophobicContact CB-CD2 4.45Å; V139-Y192 HydrophobicContact CG1-CD2 4.07Å; V139-Y192 HydrophobicContact CG1-CE2 3.71Å; Q189-Y192 HydrophobicContact CB-CD2 4.31Å; Q189-Y192 PolarHBondContact O-N 3.38Å; T190-Y192 PolarHBondContact O-N 3.49Å; T190-Y192 VanDerWaalsContact O-N 3.13Å; Y192-R197 HydrophobicContact CD1-CG 3.91Å; Y192-R197 HydrophobicContact CE1-CG 4.08Å; Y192-R197 PolarHBondContact OH-NH2 3.46Å; Y192-V198 WeakPolarHBondContact O-CG2 3.39Å; Y192-V201 HydrophobicContact CE1-CG2 4.34Å
193L95.5Very high95.6Very high21 Ų2153.9 Ų53.911%0.1125%0.25CC..G310 helixtrans-93.2-12.1169.4-56.7167.7000111.4P77 R82 T83 L84 L185 T190 E191P77-L193 HydrophobicContact CB-CD2 4.22Å; R82-L193 HydrophobicContact CB-CD1 4.43Å; T83-L193 VanDerWaalsContact O-CD2 3.27Å; T83-L193 WeakPolarHBondContact O-CD2 3.14Å; L84-L193 HydrophobicContact CB-CD2 4.39Å; L185-L193 HydrophobicContact CD1-CD1 4.08Å; L185-L193 HydrophobicContact CD1-CD2 3.57Å; L185-L193 HydrophobicContact CD1-CG 3.62Å; T190-L193 HydrophobicContact CG2-CD1 4.4Å; T190-L193 WeakPolarHBondContact O-CB 3.35Å; T190-L193 PolarHBondContact O-N 3.18Å; E191-L193 PolarHBondContact O-N 3.37Å
194E94.2Very high95.2Very high101 Ų10157.6 Ų57.647%0.47227%0.266SS..SBendtrans-76.6131.1176.1-61-176.7-179.300111.4E191 R196 R197 V198E191-E194 WeakPolarHBondContact O-CB 3.1Å; E191-E194 PolarHBondContact O-N 2.99Å; E191-E194 VanDerWaalsContact O-N 3.13Å; E194-R196 VanDerWaalsContact C-N 3.27Å; E194-R196 PolarHBondContact O-N 2.97Å; E194-R197 HydrophobicContact CB-CB 4.28Å; E194-R197 PolarHBondContact O-N 2.65Å; E194-R197 VanDerWaalsContact O-N 3.1Å; E194-V198 PolarHBondContact O-N 2.87Å; E194-V198 VanDerWaalsContact O-N 3.12Å
195E93.4Very high94.9Very high76 Ų7655.1 Ų55.136%0.35525%0.254SS..Hα-helixtrans-48.5-48.8175.5172.5-178.3168.200112.1R197 V198 K199 L215 L217E195-R197 VanDerWaalsContact C-N 3.32Å; E195-R197 PolarHBondContact O-N 3.48Å; E195-V198 PolarHBondContact O-N 3.17Å; E195-K199 HydrophobicContact CG-CD 3.91Å; E195-K199 HydrophobicContact CG-CG 4.42Å; E195-K199 WeakPolarHBondContact O-CB 3.31Å; E195-K199 VanDerWaalsContact O-CG 3.32Å; E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 2.96Å; E195-K199 VanDerWaalsContact OE1-CE 3.3Å; E195-K199 WeakPolarHBondContact OE1-CE 3.5Å; E195-K199 IonicContact OE1-NZ 3.66Å; E195-K199 PolarHBondContact OE1-NZ 2.96Å; E195-L215 HydrophobicContact CG-CD2 4.41Å; E195-L217 HydrophobicContact CB-CD1 4.26Å; E195-L217 HydrophobicContact CB-CD2 3.94Å; E195-L217 HydrophobicContact CG-CD1 3.6Å; E195-L217 HydrophobicContact CG-CD2 4.18Å
196R94.8Very high94.6Very high155 Ų15555 Ų5559%0.58525%0.254SS*.Hα-helixtrans-58.6-44.3-177.2-171.7-171.766.8752.9111.4E194 E200E194-R196 VanDerWaalsContact C-N 3.27Å; E194-R196 PolarHBondContact O-N 2.97Å; R196-E200 IonicContact NH1-OE2 2.67Å; R196-E200 PolarHBondContact NH1-OE2 3.41Å; R196-E200 VanDerWaalsContact NH1-OE2 3.13Å; R196-E200 WeakPolarHBondContact O-CB 3.35Å; R196-E200 PolarHBondContact O-N 3.34Å
197R96Very high94.2Very high25 Ų2553.1 Ų53.19%0.09425%0.246CC..Hα-helixtrans-69.5-44.8-177-173.364.6-179.4137.39.3111E37 E191 Y192 E194 E195 K199 E200 V201E37-R197 IonicContact OE2-CZ 3.4Å; E37-R197 IonicContact OE2-NH1 4Å; E37-R197 PolarHBondContact OE2-NH1 2.84Å; E37-R197 IonicContact OE2-NH2 3.17Å; E37-R197 PolarHBondContact OE2-NH2 3.25Å; E191-R197 WeakPolarHBondContact O-CB 3.18Å; E191-R197 WeakPolarHBondContact O-CG 3.42Å; E191-R197 IonicContact OE1-NE 3.59Å; Y192-R197 HydrophobicContact CD1-CG 3.91Å; Y192-R197 HydrophobicContact CE1-CG 4.08Å; Y192-R197 PolarHBondContact OH-NH2 3.46Å; E194-R197 HydrophobicContact CB-CB 4.28Å; E194-R197 PolarHBondContact O-N 2.65Å; E194-R197 VanDerWaalsContact O-N 3.1Å; E195-R197 VanDerWaalsContact C-N 3.32Å; E195-R197 PolarHBondContact O-N 3.48Å; R197-K199 PolarHBondContact O-N 2.77Å; R197-E200 IonicContact NH1-OE1 2.72Å; R197-E200 PolarHBondContact NH1-OE1 3.43Å; R197-E200 IonicContact NH1-OE2 2.63Å; R197-E200 WeakPolarHBondContact O-CB 3.32Å; R197-E200 PolarHBondContact O-N 3.06Å; R197-V201 WeakPolarHBondContact O-CG2 3.31Å; R197-V201 PolarHBondContact O-N 2.91Å
198V95.4Very high94Very high0 Ų046.6 Ų46.60%022%0.215CC..Hα-helixtrans-60.9-46.8177.2179.10000110.8I75 Y192 E194 E195 E200 V201 V202 L215I75-V198 HydrophobicContact CD1-CG1 4.23Å; I75-V198 HydrophobicContact CG2-CG1 4.16Å; Y192-V198 WeakPolarHBondContact O-CG2 3.39Å; E194-V198 PolarHBondContact O-N 2.87Å; E194-V198 VanDerWaalsContact O-N 3.12Å; E195-V198 PolarHBondContact O-N 3.17Å; V198-E200 VanDerWaalsContact C-N 3.34Å; V198-E200 PolarHBondContact O-N 3.44Å; V198-V201 PolarHBondContact O-N 3.11Å; V198-V202 HydrophobicContact CG1-CG2 4.21Å; V198-V202 WeakPolarHBondContact O-CG2 3.45Å; V198-V202 PolarHBondContact O-N 3.47Å; V198-L215 HydrophobicContact CB-CD1 4.45Å; V198-L215 HydrophobicContact CB-CD2 4.29Å; V198-L215 HydrophobicContact CG1-CD1 3.84Å; V198-L215 HydrophobicContact CG1-CD2 4.14Å
199K94.5Very high93.7Very high52 Ų5241.9 Ų41.923%0.22619%0.19CC..Hα-helixtrans-59.1-43.4176.6-74.4-176.5173.7-177.80112.6E195 R197 K203 L215 E280 L282E195-K199 HydrophobicContact CG-CD 3.91Å; E195-K199 HydrophobicContact CG-CG 4.42Å; E195-K199 WeakPolarHBondContact O-CB 3.31Å; E195-K199 VanDerWaalsContact O-CG 3.32Å; E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 2.96Å; E195-K199 VanDerWaalsContact OE1-CE 3.3Å; E195-K199 WeakPolarHBondContact OE1-CE 3.5Å; E195-K199 IonicContact OE1-NZ 3.66Å; E195-K199 PolarHBondContact OE1-NZ 2.96Å; R197-K199 PolarHBondContact O-N 2.77Å; K199-K203 WeakPolarHBondContact O-CB 3.46Å; K199-K203 PolarHBondContact O-N 3.26Å; K199-L215 HydrophobicContact CG-CD2 4.09Å; K199-E280 VanDerWaalsContact CE-CD 3.46Å; K199-E280 VanDerWaalsContact CE-OE1 3.22Å; K199-E280 WeakPolarHBondContact CE-OE1 3.08Å; K199-E280 VanDerWaalsContact CE-OE2 3.28Å; K199-E280 WeakPolarHBondContact CE-OE2 3.2Å; K199-E280 IonicContact NZ-OE1 2.62Å; K199-E280 PolarHBondContact NZ-OE1 3.47Å; K199-E280 IonicContact NZ-OE2 3.92Å; K199-E280 PolarHBondContact NZ-OE2 3.37Å; K199-L282 HydrophobicContact CD-CD2 4.46Å; K199-L282 HydrophobicContact CG-CD2 3.85Å
200E93.7Very high93.4Very high85 Ų8544 Ų4440%0.39722%0.215SC..Hα-helixtrans-58.9-48.3177.7-172.7-172148.700111.5R196 R197 V198 K204R196-E200 IonicContact NH1-OE2 2.67Å; R196-E200 PolarHBondContact NH1-OE2 3.41Å; R196-E200 VanDerWaalsContact NH1-OE2 3.13Å; R196-E200 WeakPolarHBondContact O-CB 3.35Å; R196-E200 PolarHBondContact O-N 3.34Å; R197-E200 IonicContact NH1-OE1 2.72Å; R197-E200 PolarHBondContact NH1-OE1 3.43Å; R197-E200 IonicContact NH1-OE2 2.63Å; R197-E200 WeakPolarHBondContact O-CB 3.32Å; R197-E200 PolarHBondContact O-N 3.06Å; V198-E200 VanDerWaalsContact C-N 3.34Å; V198-E200 PolarHBondContact O-N 3.44Å; E200-K204 VanDerWaalsContact O-CB 3.32Å; E200-K204 WeakPolarHBondContact O-CB 3.4Å; E200-K204 PolarHBondContact O-N 2.87Å
201V94.8Very high93.3Very high1 Ų141.9 Ų41.91%0.00620%0.2CC..Hα-helixtrans-68-45.4-178.3178.10000111.4E37 L40 Y192 R197 V198 K204 H205E37-V201 HydrophobicContact CB-CG1 4.27Å; E37-V201 HydrophobicContact CB-CG2 3.92Å; E37-V201 HydrophobicContact CG-CG1 4.48Å; E37-V201 HydrophobicContact CG-CG2 4.49Å; E37-V201 WeakPolarHBondContact O-CG1 3.26Å; L40-V201 HydrophobicContact CB-CG1 3.87Å; L40-V201 HydrophobicContact CD1-CB 4.2Å; L40-V201 HydrophobicContact CD1-CG1 3.94Å; L40-V201 HydrophobicContact CG-CG1 4.48Å; Y192-V201 HydrophobicContact CE1-CG2 4.34Å; R197-V201 WeakPolarHBondContact O-CG2 3.31Å; R197-V201 PolarHBondContact O-N 2.91Å; V198-V201 PolarHBondContact O-N 3.11Å; V201-K204 PolarHBondContact O-N 3.42Å; V201-H205 PolarHBondContact O-CD2 2.86Å; V201-H205 PolarHBondContact O-N 3.21Å
202V94.1Very high93.2Very high1 Ų140.7 Ų40.71%0.00620%0.199CC..Hα-helixtrans-65.4-44.1178.5175.40000111.2I44 I75 V198 K204 H205 S206 Q207 I213 L282I44-V202 HydrophobicContact CD1-CG2 3.97Å; I75-V202 HydrophobicContact CD1-CG2 3.81Å; V198-V202 HydrophobicContact CG1-CG2 4.21Å; V198-V202 WeakPolarHBondContact O-CG2 3.45Å; V198-V202 PolarHBondContact O-N 3.47Å; V202-K204 PolarHBondContact O-N 2.98Å; V202-H205 PolarHBondContact O-N 2.6Å; V202-S206 CarbonylContact O-C 3.57Å; V202-S206 WeakPolarHBondContact O-CA 3.22Å; V202-S206 PolarHBondContact O-N 3.49Å; V202-Q207 PolarHBondContact O-N 3.07Å; V202-I213 HydrophobicContact CG1-CD1 4.28Å; V202-I213 HydrophobicContact CG1-CG2 4.18Å; V202-L282 HydrophobicContact CB-CD1 3.82Å; V202-L282 HydrophobicContact CG1-CB 3.81Å; V202-L282 HydrophobicContact CG1-CD1 3.71Å; V202-L282 HydrophobicContact CG1-CG 4.45Å; V202-L282 HydrophobicContact CG2-CD1 3.85Å
203K91Very high93.3Very high100 Ų10040.5 Ų40.544%0.43520%0.198SC..Hα-helixtrans-62.5-31.7176.4-175.3174.1179.9176.60112K199 Q207 N310K199-K203 WeakPolarHBondContact O-CB 3.46Å; K199-K203 PolarHBondContact O-N 3.26Å; K203-Q207 WeakPolarHBondContact O-CB 3.41Å; K203-N310 PolarHBondContact NZ-OD1 2.89Å
204K89.9Confident93.3Very high78 Ų7840.3 Ų40.334%0.33920%0.197SC..Hα-helixtrans-75.4-48178-176.9175.6175.6-173.60112.4E37 E200 V201 V202 F361E37-K204 WeakPolarHBondContact OE1-CE 3.21Å; E37-K204 IonicContact OE1-NZ 2.79Å; E37-K204 PolarHBondContact OE1-NZ 3.34Å; E200-K204 VanDerWaalsContact O-CB 3.32Å; E200-K204 WeakPolarHBondContact O-CB 3.4Å; E200-K204 PolarHBondContact O-N 2.87Å; V201-K204 PolarHBondContact O-N 3.42Å; V202-K204 PolarHBondContact O-N 2.98Å; K204-F361 HydrophobicContact CG-CD1 4.27Å; K204-F361 HydrophobicContact CG-CE1 4.36Å; K204-F361 VanDerWaalsContact O-CB 3.29Å; K204-F361 WeakPolarHBondContact O-CB 3.44Å; K204-F361 WeakPolarHBondContact O-CG 3.43Å
205H91.3Very high93.4Very high7 Ų735.5 Ų35.53%0.03218%0.175CC..Hα-helixtrans-103.8-29-165.2-67.7-71.1000115E37 R41 V201 V202 F361E37-H205 IonicContact OE1-CD2 2.92Å; E37-H205 IonicContact OE1-CE1 3.66Å; E37-H205 IonicContact OE1-NE2 3.74Å; E37-H205 PolarHBondContact OE1-NE2 2.99Å; R41-H205 HydrophobicContact CB-CB 3.79Å; R41-H205 HydrophobicContact CG-CB 3.87Å; V201-H205 PolarHBondContact O-CD2 2.86Å; V201-H205 PolarHBondContact O-N 3.21Å; V202-H205 PolarHBondContact O-N 2.6Å; H205-F361 AromaticContact ND1-CD1 3.77Å; H205-F361 PolarHBondContact O-N 2.86Å
206S91.7Very high93.5Very high2 Ų233.9 Ų33.91%0.01417%0.166CC..SBendtrans-125.817-167.3-54.30000113.4V202 F208 I209V202-S206 CarbonylContact O-C 3.57Å; V202-S206 WeakPolarHBondContact O-CA 3.22Å; V202-S206 PolarHBondContact O-N 3.49Å; S206-F208 PolarHBondContact O-N 2.74Å; S206-F208 VanDerWaalsContact O-N 3.1Å; S206-I209 PolarHBondContact O-N 2.96Å
207Q89Confident93.1Very high10 Ų1027.4 Ų27.45%0.04714%0.143CC..THydrogen-bonded Turntrans-55.5-30-178.5-174.4174.915.300113.5V202 K203V202-Q207 PolarHBondContact O-N 3.07Å; K203-Q207 WeakPolarHBondContact O-CB 3.41Å
208F92Very high92.5Very high1 Ų131.7 Ų31.70%0.00416%0.164CC..THydrogen-bonded Turntrans-116.514.3-170-61.5-57.5000113.6S206 G210 T285 P287 W289 F304 Y356 R359S206-F208 PolarHBondContact O-N 2.74Å; S206-F208 VanDerWaalsContact O-N 3.1Å; F208-G210 PolarHBondContact O-N 3.15Å; F208-T285 HydrophobicContact CE1-CG2 3.88Å; F208-P287 HydrophobicContact CB-CG 3.99Å; F208-P287 HydrophobicContact CD1-CG 4.19Å; F208-W289 HydrophobicContact CB-CH2 4.02Å; F208-W289 HydrophobicContact CB-CZ2 4.32Å; F208-W289 AromaticContact CD1-CH2 3.67Å; F208-W289 HydrophobicContact CD1-CH2 3.67Å; F208-W289 HydrophobicContact CD1-CZ3 4.12Å; F208-W289 AromaticContact CD2-CH2 3.51Å; F208-W289 HydrophobicContact CD2-CH2 3.51Å; F208-W289 HydrophobicContact CD2-CZ2 4.37Å; F208-W289 HydrophobicContact CD2-CZ3 4.37Å; F208-W289 AromaticContact CE1-CH2 3.93Å; F208-W289 HydrophobicContact CE1-CH2 3.93Å; F208-W289 AromaticContact CE1-CZ3 3.98Å; F208-W289 HydrophobicContact CE1-CZ3 3.98Å; F208-W289 AromaticContact CE2-CH2 3.75Å; F208-W289 HydrophobicContact CE2-CH2 3.75Å; F208-W289 HydrophobicContact CE2-CZ3 4.2Å; F208-W289 AromaticContact CG-CH2 3.45Å; F208-W289 HydrophobicContact CG-CH2 3.45Å; F208-W289 VanDerWaalsContact CG-CH2 3.45Å; F208-W289 HydrophobicContact CG-CZ2 4.23Å; F208-W289 HydrophobicContact CG-CZ3 4.32Å; F208-W289 AromaticContact CZ-CH2 3.95Å; F208-W289 HydrophobicContact CZ-CH2 3.95Å; F208-W289 HydrophobicContact CZ-CZ3 4.01Å; F208-F304 AromaticContact CE1-CE2 3.64Å; F208-F304 HydrophobicContact CE1-CE2 3.64Å; F208-F304 HydrophobicContact CE1-CZ 4.26Å; F208-F304 AromaticContact CZ-CE2 3.87Å; F208-F304 HydrophobicContact CZ-CE2 3.87Å; F208-F304 HydrophobicContact CZ-CZ 4.04Å; F208-Y356 AromaticContact CD2-CD1 3.98Å; F208-Y356 HydrophobicContact CD2-CD1 3.98Å; F208-Y356 AromaticContact CD2-CE1 3.45Å; F208-Y356 HydrophobicContact CD2-CE1 3.45Å; F208-Y356 VanDerWaalsContact CD2-CE1 3.45Å; F208-Y356 HydrophobicContact CD2-CE2 4.33Å; F208-Y356 AromaticContact CD2-CZ 3.66Å; F208-Y356 AromaticContact CE2-CE1 3.87Å; F208-Y356 HydrophobicContact CE2-CE1 3.87Å; F208-Y356 HydrophobicContact CE2-CE2 4.07Å; F208-Y356 AromaticContact CE2-CZ 3.54Å; F208-Y356 WeakPolarHBondContact CE2-OH 3.37Å; F208-R359 HydrophobicContact CB-CB 4.03Å; F208-R359 WeakPolarHBondContact O-CB 3.34Å; F208-R359 WeakPolarHBondContact O-CD 3.46Å
209I91.6Very high92Very high7 Ų734.2 Ų34.24%0.03618%0.175CC..  trans-61.2135.4168.6-64.4-63.4000108.7I44 I73 I126 S206 Y211 I213 N283 V360I44-I209 HydrophobicContact CG2-CG1 4.06Å; I73-I209 HydrophobicContact CD1-CG2 4.42Å; I126-I209 HydrophobicContact CD1-CD1 4.37Å; S206-I209 PolarHBondContact O-N 2.96Å; I209-Y211 PolarHBondContact O-N 3.41Å; I209-I213 HydrophobicContact CB-CD1 4.05Å; I209-I213 HydrophobicContact CG1-CD1 4.36Å; I209-I213 HydrophobicContact CG2-CD1 4.35Å; I209-N283 PolarHBondContact O-ND2 2.89Å; I209-V360 HydrophobicContact CD1-CG2 4.14Å
210G89.6Confident91.4Very high56 Ų5636.8 Ų36.858%0.57719%0.188SC*.SBendtrans-73.3-9.5-169.700000115.3F208F208-G210 PolarHBondContact O-N 3.15Å
211Y93.7Very high90.8Very high21 Ų2138.5 Ų38.58%0.08219%0.19CC..SBendtrans-109.6145-178.7-60.9-78.1000110.7L51 D52 R55 L71 I209 I213 N283L51-Y211 HydrophobicContact CB-CD1 4.06Å; L51-Y211 HydrophobicContact CB-CD2 3.74Å; L51-Y211 HydrophobicContact CB-CE1 3.85Å; L51-Y211 HydrophobicContact CB-CE2 3.53Å; L51-Y211 HydrophobicContact CB-CG 4.01Å; L51-Y211 HydrophobicContact CD1-CD1 4.01Å; L51-Y211 HydrophobicContact CD1-CD2 3.76Å; L51-Y211 HydrophobicContact CD1-CE2 4.43Å; L51-Y211 HydrophobicContact CD1-CG 3.53Å; L51-Y211 HydrophobicContact CG-CD2 4.4Å; L51-Y211 HydrophobicContact CG-CG 4.37Å; D52-Y211 WeakPolarHBondContact CA-OH 3.49Å; D52-Y211 PolarHBondContact N-OH 3.43Å; D52-Y211 WeakPolarHBondContact OD1-CE2 3.42Å; D52-Y211 PolarHBondContact OD1-OH 2.96Å; R55-Y211 VanDerWaalsContact CD-OH 3.28Å; R55-Y211 WeakPolarHBondContact CD-OH 3.31Å; L71-Y211 HydrophobicContact CB-CD1 3.88Å; L71-Y211 HydrophobicContact CB-CE1 3.97Å; L71-Y211 HydrophobicContact CD1-CE1 4Å; I209-Y211 PolarHBondContact O-N 3.41Å; Y211-I213 PolarHBondContact O-N 3.41Å; Y211-N283 PolarHBondContact O-ND2 3.44Å
212P95.7Very high90.2Very high52 Ų5244.3 Ų44.334%0.33822%0.218SC..  trans-57.4131176.4-23.734.1000111.8K72 I73K72-P212 HydrophobicContact CB-CB 4.44Å; I73-P212 PolarHBondContact N-O 2.97Å
213I96.9Very high89.4Confident0 Ų048.9 Ų48.90%024%0.237CC..EExtended strand (participates in β ladder)trans-110.7114.5173.6-57.8169.1000107.3I44 I73 I75 V202 I209 Y211 E281 L282 N283I44-I213 HydrophobicContact CG2-CD1 3.74Å; I44-I213 HydrophobicContact CG2-CG1 4.49Å; I73-I213 HydrophobicContact CB-CG1 4.35Å; I73-I213 HydrophobicContact CD1-CG1 4.41Å; I73-I213 CarbonylContact O-C 3.54Å; I73-I213 VanDerWaalsContact O-CA 3.27Å; I73-I213 WeakPolarHBondContact O-CA 3.4Å; I75-I213 HydrophobicContact CD1-CG2 3.8Å; I75-I213 HydrophobicContact CG1-CG2 4.35Å; V202-I213 HydrophobicContact CG1-CD1 4.28Å; V202-I213 HydrophobicContact CG1-CG2 4.18Å; I209-I213 HydrophobicContact CB-CD1 4.05Å; I209-I213 HydrophobicContact CG1-CD1 4.36Å; I209-I213 HydrophobicContact CG2-CD1 4.35Å; Y211-I213 PolarHBondContact O-N 3.41Å; I213-E281 WeakPolarHBondContact O-CA 3.35Å; I213-L282 HydrophobicContact CG2-CD1 4.46Å; I213-L282 PolarHBondContact O-N 3.33Å; I213-N283 HydrophobicContact CD1-CB 4.39Å; I213-N283 PolarHBondContact N-OD1 3.15Å
214T97.1Very high88.5Confident16 Ų1650 Ų5010%0.09824%0.244CC..EExtended strand (participates in β ladder)trans-107.5147-179.9750000111.4I73 D74 I75 Y216 E280I73-T214 PolarHBondContact O-N 3.34Å; D74-T214 VanDerWaalsContact CG-OG1 3.24Å; D74-T214 PolarHBondContact OD1-OG1 2.94Å; I75-T214 PolarHBondContact N-O 2.92Å; T214-Y216 VanDerWaalsContact OG1-CE2 3.29Å; T214-Y216 WeakPolarHBondContact OG1-CE2 3.34Å; T214-E280 CarbonylContact C-O 3.59Å; T214-E280 WeakPolarHBondContact CA-O 3.29Å
215L96.6Very high87.4Confident0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-115.7122.3172.7-17961000109.1I75 P77 E195 V198 K199 L217 E280 L282I75-L215 HydrophobicContact CB-CD1 3.93Å; I75-L215 HydrophobicContact CG2-CD1 3.76Å; P77-L215 HydrophobicContact CG-CD1 3.86Å; E195-L215 HydrophobicContact CG-CD2 4.41Å; V198-L215 HydrophobicContact CB-CD1 4.45Å; V198-L215 HydrophobicContact CB-CD2 4.29Å; V198-L215 HydrophobicContact CG1-CD1 3.84Å; V198-L215 HydrophobicContact CG1-CD2 4.14Å; K199-L215 HydrophobicContact CG-CD2 4.09Å; L215-L217 HydrophobicContact CD1-CD2 4.44Å; L215-L217 HydrophobicContact CD2-CD1 4.05Å; L215-L217 HydrophobicContact CD2-CD2 3.98Å; L215-L217 HydrophobicContact CD2-CG 4.15Å; L215-L217 HydrophobicContact CG-CD1 4.26Å; L215-L217 HydrophobicContact CG-CD2 3.9Å; L215-L217 HydrophobicContact CG-CG 3.9Å; L215-E280 PolarHBondContact N-O 3.2Å; L215-E280 PolarHBondContact O-N 3.34Å; L215-E280 VanDerWaalsContact O-N 3.09Å; L215-L282 HydrophobicContact CB-CD1 3.92Å; L215-L282 HydrophobicContact CB-CD2 4.07Å; L215-L282 HydrophobicContact CB-CG 4.05Å; L215-L282 HydrophobicContact CD2-CD1 4.42Å; L215-L282 HydrophobicContact CD2-CD2 4.41Å
216Y94.8Very high86.2Confident43 Ų4348 Ų4817%0.16924%0.241CC..EExtended strand (participates in β ladder)trans-88118178.7-75-124.3000108.7D74 I75 I76 P77 T214 I277 Q279D74-Y216 HydrophobicContact CB-CD2 4.24Å; D74-Y216 HydrophobicContact CB-CE2 3.54Å; D74-Y216 VanDerWaalsContact CG-CE2 3.46Å; D74-Y216 WeakPolarHBondContact OD2-CE2 3.37Å; D74-Y216 PolarHBondContact OD2-OH 3.41Å; I75-Y216 PolarHBondContact O-N 3.33Å; I76-Y216 HydrophobicContact CD1-CD1 4.46Å; I76-Y216 HydrophobicContact CD1-CG 4.47Å; I76-Y216 HydrophobicContact CG1-CD1 4.29Å; I76-Y216 HydrophobicContact CG1-CD2 3.87Å; I76-Y216 HydrophobicContact CG1-CE2 4.38Å; I76-Y216 HydrophobicContact CG1-CG 3.84Å; P77-Y216 WeakPolarHBondContact CD-O 3.22Å; T214-Y216 VanDerWaalsContact OG1-CE2 3.29Å; T214-Y216 WeakPolarHBondContact OG1-CE2 3.34Å; Y216-I277 HydrophobicContact CD1-CG2 3.58Å; Y216-I277 HydrophobicContact CE1-CG2 4.42Å; Y216-I277 HydrophobicContact CG-CG2 4.13Å; Y216-Q279 HydrophobicContact CD1-CG 4.18Å; Y216-Q279 HydrophobicContact CD2-CG 4.39Å; Y216-Q279 HydrophobicContact CE1-CG 3.96Å; Y216-Q279 HydrophobicContact CE2-CG 4.16Å; Y216-Q279 HydrophobicContact CG-CG 4.39Å; Y216-Q279 PolarHBondContact OH-NE2 2.9Å; Y216-Q279 VanDerWaalsContact OH-NE2 3.07Å
217L86.5Confident84.8Confident18 Ų1850.4 Ų50.49%0.09425%0.253CS..EExtended strand (participates in β ladder)trans-127.1129.2-179.5-61.6169.2000110E195 L215 K219 I277 D278E195-L217 HydrophobicContact CB-CD1 4.26Å; E195-L217 HydrophobicContact CB-CD2 3.94Å; E195-L217 HydrophobicContact CG-CD1 3.6Å; E195-L217 HydrophobicContact CG-CD2 4.18Å; L215-L217 HydrophobicContact CD1-CD2 4.44Å; L215-L217 HydrophobicContact CD2-CD1 4.05Å; L215-L217 HydrophobicContact CD2-CD2 3.98Å; L215-L217 HydrophobicContact CD2-CG 4.15Å; L215-L217 HydrophobicContact CG-CD1 4.26Å; L215-L217 HydrophobicContact CG-CD2 3.9Å; L215-L217 HydrophobicContact CG-CG 3.9Å; L217-K219 HydrophobicContact CB-CG 4.31Å; L217-K219 PolarHBondContact O-N 3.01Å; L217-I277 WeakPolarHBondContact O-CA 3.05Å; L217-D278 PolarHBondContact N-O 3.43Å; L217-D278 PolarHBondContact O-N 3.16Å
218E82.9Confident83.6Confident116 Ų11655.3 Ų55.354%0.54228%0.28SS..EExtended strand (participates in β ladder)trans-74.8108.6169.2-166.7-179.1170.300108.6K275E218-K275 HydrophobicContact CG-CB 4.47Å; E218-K275 WeakPolarHBondContact OE1-CD 3.26Å; E218-K275 WeakPolarHBondContact OE1-CE 3.4Å; E218-K275 IonicContact OE1-NZ 2.61Å; E218-K275 PolarHBondContact OE1-NZ 3.33Å
219K84.5Confident82Confident52 Ų5260.2 Ų60.223%0.22630%0.302CS..EExtended strand (participates in β ladder)trans-112.8151.6177.9-67.5-170.3-177.3171.80110.4L217 K275 Y276 D278 E280L217-K219 HydrophobicContact CB-CG 4.31Å; L217-K219 PolarHBondContact O-N 3.01Å; K219-K275 CarbonylContact O-C 3.6Å; K219-K275 WeakPolarHBondContact O-CA 3.39Å; K219-Y276 HydrophobicContact CB-CD1 4.33Å; K219-Y276 HydrophobicContact CB-CE1 3.69Å; K219-Y276 HydrophobicContact CB-CE2 4.19Å; K219-Y276 PolarHBondContact N-O 3.36Å; K219-Y276 VanDerWaalsContact O-CD1 3.29Å; K219-Y276 WeakPolarHBondContact O-CD1 3.47Å; K219-Y276 PolarHBondContact O-N 3.27Å; K219-D278 HydrophobicContact CD-CB 3.74Å; K219-D278 WeakPolarHBondContact CE-OD2 3.37Å; K219-D278 HydrophobicContact CG-CB 4.17Å; K219-D278 IonicContact NZ-OD2 2.88Å; K219-D278 PolarHBondContact NZ-OD2 2.69Å; K219-E280 IonicContact NZ-OE2 3.07Å
220E81.6Confident80.3Confident106 Ų10660.3 Ų60.350%0.49531%0.305SS..EExtended strand (participates in β ladder)trans-101.6135.6173-64.1-175.1169.300110K273 E274 K275E220-K273 WeakPolarHBondContact OE2-CD 3.42Å; E220-K273 WeakPolarHBondContact OE2-CE 3.3Å; E220-K273 IonicContact OE2-NZ 3.04Å; E220-K273 PolarHBondContact OE2-NZ 2.96Å; E220-E274 WeakPolarHBondContact CA-O 3.4Å; E220-K275 HydrophobicContact CG-CG 4.18Å
221R82.4Confident78.9Confident121 Ų12164.4 Ų64.446%0.45731%0.308SS..EExtended strand (participates in β ladder)trans-121.6144.7166.863.8-175.8-177.4-158.3-4110.8K223 E274 Y276R221-K223 PolarHBondContact O-N 3.08Å; R221-E274 HydrophobicContact CG-CB 4.18Å; R221-E274 IonicContact CZ-OE1 3.03Å; R221-E274 IonicContact CZ-OE2 2.63Å; R221-E274 VanDerWaalsContact CZ-OE2 3.25Å; R221-E274 PolarHBondContact N-O 3.33Å; R221-E274 IonicContact NE-OE2 2.74Å; R221-E274 PolarHBondContact NE-OE2 3.33Å; R221-E274 IonicContact NH2-OE1 3.33Å; R221-E274 PolarHBondContact NH2-OE1 2.86Å; R221-E274 IonicContact NH2-OE2 2.65Å; R221-E274 PolarHBondContact NH2-OE2 3.26Å; R221-E274 PolarHBondContact O-N 2.77Å; R221-Y276 HydrophobicContact CB-CD1 4.12Å; R221-Y276 HydrophobicContact CB-CE1 3.72Å; R221-Y276 HydrophobicContact CG-CD1 3.78Å; R221-Y276 HydrophobicContact CG-CE1 3.91Å
222E81Confident77.2Confident124 Ų12470.3 Ų70.358%0.57934%0.337SS*.EExtended strand (participates in β ladder)trans-79.2115169.5-66.1-169.9165.400109.3K271 I272E222-K271 WeakPolarHBondContact OE2-CD 3.43Å; E222-K271 IonicContact OE2-NZ 2.85Å; E222-K271 PolarHBondContact OE2-NZ 3.15Å; E222-I272 WeakPolarHBondContact CA-O 3.44Å
223K77.1Confident75.4Confident96 Ų9672 Ų7242%0.41734%0.34SS..EExtended strand (participates in β ladder)trans-101.4125.6170.9-169.8-179.7178.5-173.70108.6R221 I225 K271 I272R221-K223 PolarHBondContact O-N 3.08Å; K223-I225 HydrophobicContact CD-CG2 4.14Å; K223-I225 HydrophobicContact CG-CG2 4.11Å; K223-I225 PolarHBondContact O-N 2.63Å; K223-K271 WeakPolarHBondContact O-CA 3.46Å; K223-I272 HydrophobicContact CB-CG2 4.19Å; K223-I272 PolarHBondContact N-O 3.31Å; K223-I272 PolarHBondContact O-N 2.74Å
224E72.7Confident73.4Confident123 Ų12378.5 Ų78.558%0.57537%0.369SS*.EExtended strand (participates in β ladder)trans-80.1113.8170.4-71.4-172.7-16900108.9K271E224-K271 HydrophobicContact CG-CG 4Å
225I67.8Low71.3Confident8 Ų879.4 Ų79.44%0.04138%0.381CS..EExtended strand (participates in β ladder)trans-110.9149.7176.355.2169.7000110.2K223 E229 A230 K270 I272K223-I225 HydrophobicContact CD-CG2 4.14Å; K223-I225 HydrophobicContact CG-CG2 4.11Å; K223-I225 PolarHBondContact O-N 2.63Å; I225-E229 HydrophobicContact CB-CB 4.19Å; I225-A230 HydrophobicContact CD1-CB 3.68Å; I225-A230 HydrophobicContact CG1-CB 4.25Å; I225-K270 WeakPolarHBondContact CG1-O 3.49Å; I225-K270 PolarHBondContact N-O 3.03Å; I225-K270 PolarHBondContact O-N 2.81Å; I225-I272 HydrophobicContact CD1-CB 3.99Å; I225-I272 HydrophobicContact CD1-CG2 3.77Å; I225-I272 HydrophobicContact CG1-CB 4.41Å; I225-I272 HydrophobicContact CG1-CG2 4.09Å; I225-I272 HydrophobicContact CG2-CG2 4.18Å
226S65.1Low69.1Low37 Ų3786.2 Ų86.226%0.25941%0.413SS..EExtended strand (participates in β ladder)trans-65.9153173.8-171.70000109.8D228 E229 A230S226-D228 PolarHBondContact O-N 3.04Å; S226-D228 VanDerWaalsContact O-N 3.12Å; S226-E229 PolarHBondContact O-N 3.38Å; S226-E229 VanDerWaalsContact O-N 3.09Å; S226-A230 PolarHBondContact O-N 2.65Å
227D61.8Low67Low51 Ų5190.7 Ų90.727%0.27343%0.433SS..Hα-helixtrans-53.7-33.2177.4-92.2-31.7000112.3A230 E231 K270D227-A230 PolarHBondContact O-N 2.85Å; D227-E231 PolarHBondContact O-N 2.91Å; D227-K270 WeakPolarHBondContact OD1-CD 3.36Å; D227-K270 WeakPolarHBondContact OD1-CE 3.36Å; D227-K270 IonicContact OD1-NZ 3.76Å; D227-K270 PolarHBondContact OD1-NZ 2.67Å
228D63.5Low65.1Low114 Ų11497 Ų9761%0.6146%0.462SS*.Hα-helixtrans-67.7-39.4178.9-48.2-43.5000112.7S226 A230S226-D228 PolarHBondContact O-N 3.04Å; S226-D228 VanDerWaalsContact O-N 3.12Å; D228-A230 VanDerWaalsContact C-N 3.34Å
229E59.7Low63.5Low103 Ų10398.3 Ų98.348%0.48147%0.468SS..Hα-helixtrans-73.1-28.3177.8-69.5177.7174.900111.6I225 S226 E231 E233I225-E229 HydrophobicContact CB-CB 4.19Å; S226-E229 PolarHBondContact O-N 3.38Å; S226-E229 VanDerWaalsContact O-N 3.09Å; E229-E231 VanDerWaalsContact C-N 3.34Å; E229-E233 PolarHBondContact O-N 3.41Å
230A56.3Low61.6Low10 Ų10104 Ų1048%0.08350%0.495CS..Hα-helixtrans-74.8-22.1179.400000113.6I225 S226 D227 D228 K234 K270I225-A230 HydrophobicContact CD1-CB 3.68Å; I225-A230 HydrophobicContact CG1-CB 4.25Å; S226-A230 PolarHBondContact O-N 2.65Å; D227-A230 PolarHBondContact O-N 2.85Å; D228-A230 VanDerWaalsContact C-N 3.34Å; A230-K234 WeakPolarHBondContact O-CG 3.4Å; A230-K270 HydrophobicContact CB-CD 3.99Å
231E59.4Low59.8Low141 Ų141105.6 Ų105.666%0.65951%0.508SS*.Hα-helixtrans-81.5-34.5173.8-72.6-171.7176.500111.8D227 E229 K234 G235D227-E231 PolarHBondContact O-N 2.91Å; E229-E231 VanDerWaalsContact C-N 3.34Å; E231-K234 PolarHBondContact O-N 2.89Å; E231-G235 PolarHBondContact O-N 3.16Å
232E58.2Low57.9Low146 Ų146107.2 Ų107.268%0.68252%0.518SS*.Hα-helixtrans-64.8-47.5175.2-71.9-176.516800112.2K234 G235 E236E232-K234 VanDerWaalsContact C-N 3.27Å; E232-K234 PolarHBondContact O-N 2.98Å; E232-G235 PolarHBondContact O-N 3.41Å; E232-G235 VanDerWaalsContact O-N 3.13Å; E232-E236 PolarHBondContact O-N 3.04Å; E232-E236 VanDerWaalsContact O-N 3.13Å
233E57.2Low56Low86 Ų86108.7 Ų108.740%0.40253%0.53SS..Hα-helixtrans-66.7-25.4177.7-85.3-172.3154.500113.6E229 K237 I272E229-E233 PolarHBondContact O-N 3.41Å; E233-K237 PolarHBondContact O-N 3.49Å; E233-I272 WeakPolarHBondContact OE2-CD1 3.34Å
234K54.8Low54.2Low138 Ų138112.1 Ų112.160%0.655%0.553SS**Hα-helixtrans-75.5-36.8172.3-81-173.4175.2-166.20111.9A230 E231 E232 E236 K237 E238A230-K234 WeakPolarHBondContact O-CG 3.4Å; E231-K234 PolarHBondContact O-N 2.89Å; E232-K234 VanDerWaalsContact C-N 3.27Å; E232-K234 PolarHBondContact O-N 2.98Å; K234-E236 VanDerWaalsContact C-N 3.33Å; K234-K237 PolarHBondContact O-N 3.17Å; K234-E238 WeakPolarHBondContact O-CG 3.34Å; K234-E238 PolarHBondContact O-N 2.77Å
235G53.5Low52.5Low35 Ų35115.3 Ų115.336%0.36157%0.568SS.*Hα-helixtrans-62.3-38.3174.800000112.8E231 E232 E239E231-G235 PolarHBondContact O-N 3.16Å; E232-G235 PolarHBondContact O-N 3.41Å; E232-G235 VanDerWaalsContact O-N 3.13Å; G235-E239 PolarHBondContact O-N 3.3Å
236E50.8Low51Low142 Ų142123.5 Ų123.566%0.66461%0.606SS**Hα-helixtrans-69.4-37.4177-71.1-173.6163.600112.7E232 K234 E239E232-E236 PolarHBondContact O-N 3.04Å; E232-E236 VanDerWaalsContact O-N 3.13Å; K234-E236 VanDerWaalsContact C-N 3.33Å; E236-E239 PolarHBondContact O-N 2.61Å
237K51.1Low50.1Low138 Ų138131.7 Ų131.760%0.664%0.637SS**Hα-helixtrans-72.3-33.1175.9-78180177.3170.30113.6E233 K234 E239 E240 D241E233-K237 PolarHBondContact O-N 3.49Å; K234-K237 PolarHBondContact O-N 3.17Å; K237-E239 VanDerWaalsContact C-N 3.25Å; K237-E239 PolarHBondContact O-N 2.61Å; K237-E240 PolarHBondContact O-N 2.65Å; K237-D241 PolarHBondContact O-N 3.29Å
238E47Very low49.1Very low149 Ų149134.8 Ų134.870%0.69666%0.66SS**Hα-helixtrans-72.7-15.6175.4-74.5-178.3-17500113.2K234K234-E238 WeakPolarHBondContact O-CG 3.34Å; K234-E238 PolarHBondContact O-N 2.77Å
239E47.6Very low47.7Very low144 Ų144138.6 Ų138.667%0.67367%0.671SS**Hα-helixtrans-83.6-22.7171.4-75-162154.800114G235 E236 K237G235-E239 PolarHBondContact O-N 3.3Å; E236-E239 PolarHBondContact O-N 2.61Å; K237-E239 VanDerWaalsContact C-N 3.25Å; K237-E239 PolarHBondContact O-N 2.61Å
240E45.6Very low47Very low171 Ų171141.5 Ų141.580%0.79969%0.688SS**Hα-helixtrans-86.7-22.8177.2-72.5-171.3155.600113.9K237 K242K237-E240 PolarHBondContact O-N 2.65Å; E240-K242 PolarHBondContact O-N 3.07Å
241D43.4Very low45.8Very low140 Ų140148.5 Ų148.575%0.74972%0.719SS**  trans-9633.6-176-80-24.3000114.8K237 D243K237-D241 PolarHBondContact O-N 3.29Å; D241-D243 VanDerWaalsContact C-N 3.29Å; D241-D243 PolarHBondContact O-N 2.74Å
242K42.3Very low45Very low155 Ų155149.6 Ų149.667%0.67473%0.73SS**  trans-80.418.3-176.6-89.7179.7-174.8157.40117.1E240E240-K242 PolarHBondContact O-N 3.07Å
243D41.8Very low43.9Very low155 Ų155148.6 Ų148.683%0.82973%0.733SS**SBendtrans-134.579.9174-81.9-33.1000110.6D241D241-D243 VanDerWaalsContact C-N 3.29Å; D241-D243 PolarHBondContact O-N 2.74Å
244D39.9Very low43Very low169 Ų169147.8 Ų147.890%0.90475%0.748SS**  trans179.7103.1145.6-95.1-24.2000110.9
245E35.6Very low42.1Very low189 Ų189146.2 Ų146.288%0.88375%0.754SS**  trans-79.6126169.2-72.3-175.7153.600110.5
246E37.7Very low41.3Very low181 Ų181151.4 Ų151.485%0.84677%0.774SS**  trans152.3104.7136-85.9-172.9170.600112.4
247K46.1Very low40.6Very low208 Ų208152.3 Ų152.390%0.90478%0.778SS**  trans178156.5131.7-98.2164.1-173.9174.50113.9
248P39.6Very low40Very low117 Ų117153.7 Ų153.776%0.7679%0.786SS**  trans-95.8157.2-141.936.5-36.8000116.2
249K34.8Very low39.6Very low193 Ų193153.5 Ų153.584%0.83979%0.79SS**  trans-63.3137.5170.6-79.1176.4172.11790112.5
250I43.9Very low39.1Very low164 Ų164153.1 Ų153.184%0.84179%0.793SS**  trans-113.1113157-67.7170.6000106.7
251E32.6Very low38.6Very low158 Ų158149.9 Ų149.974%0.73879%0.789SS**  trans-90.1136.8161.8-77.8179.6167.200107.9
252D41.6Very low38.1Very low164 Ų164146.6 Ų146.688%0.87779%0.788SS**  trans-131.9136.7158.2-139.4-11.5000109.2
253V36.2Very low37.7Very low125 Ų125148.7 Ų148.776%0.75880%0.797SS**  trans-115.7141-158174.40000110.2
254G36.8Very low37.5Very low69 Ų69148.6 Ų148.671%0.71180%0.797SS**  trans97.6147.3157.500000114.8
255S35.5Very low37.4Very low104 Ų104151 Ų15173%0.72780%0.799SS**  cis-169.8137.40.849.60000107.6
256D37.4Very low37.7Very low145 Ų145151.3 Ų151.378%0.77580%0.798SS**  trans53.1136137-61.6-19.8000124.3
257E37.3Very low38.2Very low160 Ų160150.9 Ų150.975%0.74879%0.793SS**  trans94.7111.1143.7-75.5168-15900121.2
258E37.4Very low38.3Very low167 Ų167148.9 Ų148.978%0.7879%0.785SS**  55.8133.6127.8-58.5-177.9-17800117.9
259D38Very low38.9Very low146 Ų146147.1 Ų147.178%0.78177%0.771SS**  cis-172.7164.419.7-139.9-13.6000108.7
260D37.7Very low40.3Very low135 Ų135142.3 Ų142.372%0.72275%0.751SS**  trans87.4113.9145-135.5-4.5000123.8
261S34.3Very low41.6Very low104 Ų104140.5 Ų140.573%0.72774%0.737SS**  trans46.6116.5144.958.50000124.3
262G33.7Very low43.8Very low71 Ų71135.1 Ų135.173%0.73271%0.713SS**  117.4121.2121.200000118.8
263K33Very low45.5Very low198 Ų198133.8 Ų133.886%0.86170%0.699SS**  trans96.2121.5151.9-61.6175.8176.41730119.5
264D37.6Very low47.7Very low154 Ų154130.7 Ų130.782%0.82468%0.676SS**  trans58.485.9150.6-57.3-29.6000119.5K266D264-K266 PolarHBondContact O-N 3.16Å
265K38.5Very low49.8Very low219 Ų219133.6 Ų133.695%0.95267%0.669SS**  trans-70.688.6161.2-83.5-175.8176.5178.90110.4K267K265-K267 PolarHBondContact O-N 3.37Å
266K43.1Very low52Low196 Ų196132.2 Ų132.285%0.85265%0.649SS**PPolyproline II helixtrans-57.3120.4155.8-115175.7177178.30107.9D264 K268D264-K266 PolarHBondContact O-N 3.16Å; K266-K268 PolarHBondContact O-N 2.84Å
267K47.8Very low54.3Low172 Ų172130.6 Ų130.675%0.74864%0.639SS**PPolyproline II helixtrans-50.1121169-83.6-172171-1650108.3K265 T269K265-K267 PolarHBondContact O-N 3.37Å; K267-T269 PolarHBondContact O-N 2.92Å
268K46.9Very low56.6Low166 Ų166125.2 Ų125.272%0.72262%0.615SS**PPolyproline II helixtrans-73.6119.9171.5-81-179.7174.5178.70107K266K266-K268 PolarHBondContact O-N 2.84Å
269T53.6Low59.1Low79 Ų79122.4 Ų122.449%0.48560%0.602SS.*EExtended strand (participates in β ladder)trans-87.6139.2166.2450000108.4K267K267-T269 PolarHBondContact O-N 2.92Å
270K63.7Low61.6Low92 Ų92117.9 Ų117.940%0.458%0.576SS.*EExtended strand (participates in β ladder)trans-101.4141.9169.9-75.8178-177.5125.30108.3I225 D227 A230I225-K270 WeakPolarHBondContact CG1-O 3.49Å; I225-K270 PolarHBondContact N-O 3.03Å; I225-K270 PolarHBondContact O-N 2.81Å; D227-K270 WeakPolarHBondContact OD1-CD 3.36Å; D227-K270 WeakPolarHBondContact OD1-CE 3.36Å; D227-K270 IonicContact OD1-NZ 3.76Å; D227-K270 PolarHBondContact OD1-NZ 2.67Å; A230-K270 HydrophobicContact CB-CD 3.99Å
271K71Confident64.2Low126 Ų126115.1 Ų115.155%0.54856%0.559SS.*EExtended strand (participates in β ladder)trans-94.5120.4175.1-69.5175.8162-1520108.7E222 K223 E224E222-K271 WeakPolarHBondContact OE2-CD 3.43Å; E222-K271 IonicContact OE2-NZ 2.85Å; E222-K271 PolarHBondContact OE2-NZ 3.15Å; K223-K271 WeakPolarHBondContact O-CA 3.46Å; E224-K271 HydrophobicContact CG-CG 4Å
272I78.6Confident67Low46 Ų46111.8 Ų111.824%0.23653%0.533CS..EExtended strand (participates in β ladder)trans-105.6144.7169-163.5171.9000110.2E222 K223 I225 E233E222-I272 WeakPolarHBondContact CA-O 3.44Å; K223-I272 HydrophobicContact CB-CG2 4.19Å; K223-I272 PolarHBondContact N-O 3.31Å; K223-I272 PolarHBondContact O-N 2.74Å; I225-I272 HydrophobicContact CD1-CB 3.99Å; I225-I272 HydrophobicContact CD1-CG2 3.77Å; I225-I272 HydrophobicContact CG1-CB 4.41Å; I225-I272 HydrophobicContact CG1-CG2 4.09Å; I225-I272 HydrophobicContact CG2-CG2 4.18Å; E233-I272 WeakPolarHBondContact OE2-CD1 3.34Å
273K77.8Confident69.7Low136 Ų136109 Ų10959%0.59150%0.501SS*.EExtended strand (participates in β ladder)trans-83.6109.3170.9-71.5177.4158.3-143.10109.1E220E220-K273 WeakPolarHBondContact OE2-CD 3.42Å; E220-K273 WeakPolarHBondContact OE2-CE 3.3Å; E220-K273 IonicContact OE2-NZ 3.04Å; E220-K273 PolarHBondContact OE2-NZ 2.96Å
274E81.2Confident72.3Confident60 Ų60106 Ų10628%0.2849%0.488SS..EExtended strand (participates in β ladder)trans-96.3125174-174.8-171.3-177.200109E220 R221E220-E274 WeakPolarHBondContact CA-O 3.4Å; R221-E274 HydrophobicContact CG-CB 4.18Å; R221-E274 IonicContact CZ-OE1 3.03Å; R221-E274 IonicContact CZ-OE2 2.63Å; R221-E274 VanDerWaalsContact CZ-OE2 3.25Å; R221-E274 PolarHBondContact N-O 3.33Å; R221-E274 IonicContact NE-OE2 2.74Å; R221-E274 PolarHBondContact NE-OE2 3.33Å; R221-E274 IonicContact NH2-OE1 3.33Å; R221-E274 PolarHBondContact NH2-OE1 2.86Å; R221-E274 IonicContact NH2-OE2 2.65Å; R221-E274 PolarHBondContact NH2-OE2 3.26Å; R221-E274 PolarHBondContact O-N 2.77Å
275K81.1Confident74.5Confident130 Ų130100 Ų10057%0.56546%0.457SS*.EExtended strand (participates in β ladder)trans-80.4129.4171.7-74.4167.4157.1-142.40109.1E218 K219 E220E218-K275 HydrophobicContact CG-CB 4.47Å; E218-K275 WeakPolarHBondContact OE1-CD 3.26Å; E218-K275 WeakPolarHBondContact OE1-CE 3.4Å; E218-K275 IonicContact OE1-NZ 2.61Å; E218-K275 PolarHBondContact OE1-NZ 3.33Å; K219-K275 CarbonylContact O-C 3.6Å; K219-K275 WeakPolarHBondContact O-CA 3.39Å; E220-K275 HydrophobicContact CG-CG 4.18Å
276Y83.2Confident76.9Confident75 Ų7597.3 Ų97.329%0.29445%0.445SS..EExtended strand (participates in β ladder)trans-135.2153.7174.271.1-79.4000110.2K219 R221 D278K219-Y276 HydrophobicContact CB-CD1 4.33Å; K219-Y276 HydrophobicContact CB-CE1 3.69Å; K219-Y276 HydrophobicContact CB-CE2 4.19Å; K219-Y276 PolarHBondContact N-O 3.36Å; K219-Y276 VanDerWaalsContact O-CD1 3.29Å; K219-Y276 WeakPolarHBondContact O-CD1 3.47Å; K219-Y276 PolarHBondContact O-N 3.27Å; R221-Y276 HydrophobicContact CB-CD1 4.12Å; R221-Y276 HydrophobicContact CB-CE1 3.72Å; R221-Y276 HydrophobicContact CG-CD1 3.78Å; R221-Y276 HydrophobicContact CG-CE1 3.91Å; Y276-D278 HydrophobicContact CD2-CB 4.43Å; Y276-D278 HydrophobicContact CE2-CB 3.87Å
277I84.6Confident79.3Confident111 Ų11188.9 Ų88.957%0.56941%0.411SS*.EExtended strand (participates in β ladder)trans-90114.8174.1-61.8177.3000107.9Y216 L217 Q279Y216-I277 HydrophobicContact CD1-CG2 3.58Å; Y216-I277 HydrophobicContact CE1-CG2 4.42Å; Y216-I277 HydrophobicContact CG-CG2 4.13Å; L217-I277 WeakPolarHBondContact O-CA 3.05Å; I277-Q279 HydrophobicContact CG2-CG 4.4Å
278D86.5Confident81.5Confident47 Ų4781.3 Ų81.325%0.25138%0.378SS..EExtended strand (participates in β ladder)trans-86124.4169.4-168.910000109.3L217 K219 Y276L217-D278 PolarHBondContact N-O 3.43Å; L217-D278 PolarHBondContact O-N 3.16Å; K219-D278 HydrophobicContact CD-CB 3.74Å; K219-D278 WeakPolarHBondContact CE-OD2 3.37Å; K219-D278 HydrophobicContact CG-CB 4.17Å; K219-D278 IonicContact NZ-OD2 2.88Å; K219-D278 PolarHBondContact NZ-OD2 2.69Å; Y276-D278 HydrophobicContact CD2-CB 4.43Å; Y276-D278 HydrophobicContact CE2-CB 3.87Å
279Q88.8Confident83.8Confident107 Ų10773.5 Ų73.550%0.534%0.344SS..EExtended strand (participates in β ladder)trans-101.583.4177.1-69.4-178.5-12.300108.9Y216 I277 E281Y216-Q279 HydrophobicContact CD1-CG 4.18Å; Y216-Q279 HydrophobicContact CD2-CG 4.39Å; Y216-Q279 HydrophobicContact CE1-CG 3.96Å; Y216-Q279 HydrophobicContact CE2-CG 4.16Å; Y216-Q279 HydrophobicContact CG-CG 4.39Å; Y216-Q279 PolarHBondContact OH-NE2 2.9Å; Y216-Q279 VanDerWaalsContact OH-NE2 3.07Å; I277-Q279 HydrophobicContact CG2-CG 4.4Å; Q279-E281 PolarHBondContact O-N 2.99Å
280E92.1Very high85.7Confident52 Ų5272.5 Ų72.524%0.24334%0.338CS..EExtended strand (participates in β ladder)trans-84.4117.8-175.5-172.6178153.400111.2K199 T214 L215 K219 L282K199-E280 VanDerWaalsContact CE-CD 3.46Å; K199-E280 VanDerWaalsContact CE-OE1 3.22Å; K199-E280 WeakPolarHBondContact CE-OE1 3.08Å; K199-E280 VanDerWaalsContact CE-OE2 3.28Å; K199-E280 WeakPolarHBondContact CE-OE2 3.2Å; K199-E280 IonicContact NZ-OE1 2.62Å; K199-E280 PolarHBondContact NZ-OE1 3.47Å; K199-E280 IonicContact NZ-OE2 3.92Å; K199-E280 PolarHBondContact NZ-OE2 3.37Å; T214-E280 CarbonylContact C-O 3.59Å; T214-E280 WeakPolarHBondContact CA-O 3.29Å; L215-E280 PolarHBondContact N-O 3.2Å; L215-E280 PolarHBondContact O-N 3.34Å; L215-E280 VanDerWaalsContact O-N 3.09Å; K219-E280 IonicContact NZ-OE2 3.07Å; E280-L282 HydrophobicContact CG-CD2 4.35Å; E280-L282 PolarHBondContact O-N 3.33Å
281E92.2Very high87.1Confident76 Ų7672.3 Ų72.336%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-70.2117.3170.3-174-175.3167.600110.6I213 Q279 K284I213-E281 WeakPolarHBondContact O-CA 3.35Å; Q279-E281 PolarHBondContact O-N 2.99Å; E281-K284 HydrophobicContact CB-CG 4.14Å; E281-K284 HydrophobicContact CG-CG 3.96Å; E281-K284 VanDerWaalsContact O-CE 3.23Å; E281-K284 WeakPolarHBondContact O-CE 3.2Å
282L91.8Very high88.3Confident35 Ų3570.1 Ų70.118%0.18333%0.329CS..SBendtrans-85.5-29.4-173.5-62.4-172.2000113.5K199 V202 I213 L215 E280K199-L282 HydrophobicContact CD-CD2 4.46Å; K199-L282 HydrophobicContact CG-CD2 3.85Å; V202-L282 HydrophobicContact CB-CD1 3.82Å; V202-L282 HydrophobicContact CG1-CB 3.81Å; V202-L282 HydrophobicContact CG1-CD1 3.71Å; V202-L282 HydrophobicContact CG1-CG 4.45Å; V202-L282 HydrophobicContact CG2-CD1 3.85Å; I213-L282 HydrophobicContact CG2-CD1 4.46Å; I213-L282 PolarHBondContact O-N 3.33Å; L215-L282 HydrophobicContact CB-CD1 3.92Å; L215-L282 HydrophobicContact CB-CD2 4.07Å; L215-L282 HydrophobicContact CB-CG 4.05Å; L215-L282 HydrophobicContact CD2-CD1 4.42Å; L215-L282 HydrophobicContact CD2-CD2 4.41Å; E280-L282 HydrophobicContact CG-CD2 4.35Å; E280-L282 PolarHBondContact O-N 3.33Å
283N90.6Very high89.1Confident11 Ų1170.7 Ų70.76%0.05934%0.336CS..  trans-110.741.9-171.667.7-38.6000113.6I209 Y211 I213 T285I209-N283 PolarHBondContact O-ND2 2.89Å; Y211-N283 PolarHBondContact O-ND2 3.44Å; I213-N283 HydrophobicContact CD1-CB 4.39Å; I213-N283 PolarHBondContact N-OD1 3.15Å; N283-T285 PolarHBondContact O-N 2.98Å
284K87.9Confident89.9Confident137 Ų13771.1 Ų71.160%0.59635%0.345SS*.  trans-56.9-21.5178.1-63.1175.4-180171.80114.3E281 K286E281-K284 HydrophobicContact CB-CG 4.14Å; E281-K284 HydrophobicContact CG-CG 3.96Å; E281-K284 VanDerWaalsContact O-CE 3.23Å; E281-K284 WeakPolarHBondContact O-CE 3.2Å; K284-K286 PolarHBondContact O-N 3.04Å
285T84.2Confident90.6Very high28 Ų2873.5 Ų73.517%0.17236%0.359CS..  trans-79.4106.9-178.5-51.40000110.3F208 N283 F304 S307F208-T285 HydrophobicContact CE1-CG2 3.88Å; N283-T285 PolarHBondContact O-N 2.98Å; T285-F304 HydrophobicContact CG2-CD2 3.89Å; T285-F304 HydrophobicContact CG2-CE2 4.15Å; T285-S307 PolarHBondContact OG1-OG 2.93Å
286K89Confident91.4Very high161 Ų16168 Ų6870%0.734%0.336SS*.  trans-76.8145.9-179.5-63.7-176.7-179.3178.70111.7K284 I288K284-K286 PolarHBondContact O-N 3.04Å; K286-I288 PolarHBondContact O-N 2.66Å
287P92.2Very high92Very high20 Ų2067.5 Ų67.513%0.1334%0.341CS..  trans-64.6115.9172.7-17.530.1000110.4F208 W289 T290F208-P287 HydrophobicContact CB-CG 3.99Å; F208-P287 HydrophobicContact CD1-CG 4.19Å; P287-W289 HydrophobicContact CB-CD2 4.27Å; P287-W289 HydrophobicContact CB-CE3 4.36Å; P287-W289 HydrophobicContact CB-CH2 3.94Å; P287-W289 HydrophobicContact CB-CZ2 3.82Å; P287-W289 HydrophobicContact CB-CZ3 4.19Å; P287-T290 HydrophobicContact CB-CG2 3.88Å; P287-T290 PolarHBondContact O-OG1 3.23Å
288I95.3Very high92.5Very high12 Ų1267.8 Ų67.86%0.06234%0.34CS..SBendtrans-82.9-33.2-179-64.3-63000111.7K286 T290 R291 I296 Y301 F304 L332K286-I288 PolarHBondContact O-N 2.66Å; I288-T290 PolarHBondContact O-N 3Å; I288-T290 VanDerWaalsContact O-N 3.16Å; I288-R291 PolarHBondContact O-N 3.21Å; I288-I296 HydrophobicContact CG2-CD1 3.69Å; I288-I296 HydrophobicContact CG2-CG1 4.33Å; I288-I296 HydrophobicContact CG2-CG2 3.88Å; I288-I296 WeakPolarHBondContact O-CD1 3.27Å; I288-Y301 HydrophobicContact CG2-CD1 3.86Å; I288-Y301 HydrophobicContact CG2-CE1 3.53Å; I288-F304 HydrophobicContact CB-CD2 4.2Å; I288-F304 HydrophobicContact CB-CG 4.36Å; I288-F304 HydrophobicContact CG1-CB 3.77Å; I288-F304 HydrophobicContact CG1-CD2 3.49Å; I288-F304 VanDerWaalsContact CG1-CD2 3.49Å; I288-F304 HydrophobicContact CG1-CE2 4.25Å; I288-F304 HydrophobicContact CG1-CG 3.69Å; I288-L332 HydrophobicContact CB-CD1 3.78Å; I288-L332 HydrophobicContact CG2-CD1 3.9Å
289W95.2Very high93Very high3 Ų371.8 Ų71.81%0.01136%0.357CS..THydrogen-bonded Turntrans-68.2-14-177.462.288.4000114.4F208 P287 F304 H320 R330 L332 R359 V380 D382F208-W289 HydrophobicContact CB-CH2 4.02Å; F208-W289 HydrophobicContact CB-CZ2 4.32Å; F208-W289 AromaticContact CD1-CH2 3.67Å; F208-W289 HydrophobicContact CD1-CH2 3.67Å; F208-W289 HydrophobicContact CD1-CZ3 4.12Å; F208-W289 AromaticContact CD2-CH2 3.51Å; F208-W289 HydrophobicContact CD2-CH2 3.51Å; F208-W289 HydrophobicContact CD2-CZ2 4.37Å; F208-W289 HydrophobicContact CD2-CZ3 4.37Å; F208-W289 AromaticContact CE1-CH2 3.93Å; F208-W289 HydrophobicContact CE1-CH2 3.93Å; F208-W289 AromaticContact CE1-CZ3 3.98Å; F208-W289 HydrophobicContact CE1-CZ3 3.98Å; F208-W289 AromaticContact CE2-CH2 3.75Å; F208-W289 HydrophobicContact CE2-CH2 3.75Å; F208-W289 HydrophobicContact CE2-CZ3 4.2Å; F208-W289 AromaticContact CG-CH2 3.45Å; F208-W289 HydrophobicContact CG-CH2 3.45Å; F208-W289 VanDerWaalsContact CG-CH2 3.45Å; F208-W289 HydrophobicContact CG-CZ2 4.23Å; F208-W289 HydrophobicContact CG-CZ3 4.32Å; F208-W289 AromaticContact CZ-CH2 3.95Å; F208-W289 HydrophobicContact CZ-CH2 3.95Å; F208-W289 HydrophobicContact CZ-CZ3 4.01Å; P287-W289 HydrophobicContact CB-CD2 4.27Å; P287-W289 HydrophobicContact CB-CE3 4.36Å; P287-W289 HydrophobicContact CB-CH2 3.94Å; P287-W289 HydrophobicContact CB-CZ2 3.82Å; P287-W289 HydrophobicContact CB-CZ3 4.19Å; W289-F304 HydrophobicContact CE3-CE2 4.38Å; W289-F304 HydrophobicContact CE3-CZ 4.1Å; W289-F304 AromaticContact CZ3-CE2 3.83Å; W289-F304 HydrophobicContact CZ3-CE2 3.83Å; W289-F304 AromaticContact CZ3-CZ 3.66Å; W289-F304 HydrophobicContact CZ3-CZ 3.66Å; W289-H320 PolarHBondContact O-NE2 3.06Å; W289-R330 HydrophobicContact CB-CB 4.2Å; W289-R330 WeakPolarHBondContact O-CD 3.41Å; W289-R330 PolarHBondContact O-NH1 3.1Å; W289-L332 HydrophobicContact CB-CD1 4.18Å; W289-L332 HydrophobicContact CB-CG 4.08Å; W289-L332 HydrophobicContact CE3-CD1 4.18Å; W289-R359 HydrophobicContact CZ2-CG 4.31Å; W289-V380 HydrophobicContact CD2-CG1 4.31Å; W289-V380 HydrophobicContact CE3-CB 4.37Å; W289-V380 HydrophobicContact CE3-CG1 3.97Å; W289-V380 HydrophobicContact CH2-CG1 3.75Å; W289-V380 HydrophobicContact CZ2-CG1 4.12Å; W289-V380 HydrophobicContact CZ3-CB 4.22Å; W289-V380 HydrophobicContact CZ3-CG1 3.7Å; W289-V380 HydrophobicContact CZ3-CG2 4.33Å; W289-D382 HydrophobicContact CZ2-CB 4.06Å; W289-D382 PolarHBondContact NE1-OD2 3.39Å
290T92.4Very high93.3Very high58 Ų5869.5 Ų69.536%0.35635%0.346SS..THydrogen-bonded Turntrans-79.9-22177.658.60000112.1P287 I288 R330P287-T290 HydrophobicContact CB-CG2 3.88Å; P287-T290 PolarHBondContact O-OG1 3.23Å; I288-T290 PolarHBondContact O-N 3Å; I288-T290 VanDerWaalsContact O-N 3.16Å; T290-R330 PolarHBondContact O-NH1 3.31Å
291R94.4Very high93.6Very high87 Ų8767.5 Ų67.533%0.32834%0.337SS..SBendtrans-82.6159.3177.2-70.216857.8-175.1-3.1111.2I288 D295 I296 E300I288-R291 PolarHBondContact O-N 3.21Å; R291-D295 PolarHBondContact NH2-O 3.45Å; R291-I296 HydrophobicContact CB-CD1 3.89Å; R291-I296 HydrophobicContact CB-CG1 4.03Å; R291-E300 IonicContact CZ-OE1 3.21Å; R291-E300 VanDerWaalsContact CZ-OE1 3.31Å; R291-E300 IonicContact CZ-OE2 3.62Å; R291-E300 IonicContact NH1-OE1 3.74Å; R291-E300 PolarHBondContact NH1-OE1 3.12Å; R291-E300 IonicContact NH1-OE2 3.38Å; R291-E300 VanDerWaalsContact NH2-CD 3.34Å; R291-E300 IonicContact NH2-OE1 2.85Å; R291-E300 PolarHBondContact NH2-OE1 2.99Å; R291-E300 IonicContact NH2-OE2 3.45Å; R291-E300 PolarHBondContact NH2-OE2 3.37Å
292N94.3Very high93.8Very high81 Ų8164 Ų6443%0.43332%0.32SS..  trans-64.2126.9172.9-176.3-3000109.9D294 D295 I296N292-D294 PolarHBondContact O-N 2.79Å; N292-D294 VanDerWaalsContact O-N 3.12Å; N292-D294 PolarHBondContact OD1-N 3.48Å; N292-D295 HydrophobicContact CB-CB 4.46Å; N292-D295 WeakPolarHBondContact CB-OD2 3.48Å; N292-D295 PolarHBondContact O-N 2.94Å; N292-I296 WeakPolarHBondContact O-CD1 3.38Å; N292-I296 WeakPolarHBondContact O-CG1 3.3Å
293P95.4Very high93.9Very high58 Ų5869 Ų6938%0.37734%0.343SS..G310 helixtrans-47.3-36.6176.4-28.932.3000115.1D295 I296P293-D295 VanDerWaalsContact C-N 3.27Å; P293-D295 PolarHBondContact O-N 3.47Å; P293-I296 PolarHBondContact O-N 2.85Å
294D95.6Very high94.2Very high145 Ų14568.7 Ų68.778%0.77534%0.341SS*.G310 helixtrans-72.6-19.7-175.8-63.5-25.2000113.3N292N292-D294 PolarHBondContact O-N 2.79Å; N292-D294 VanDerWaalsContact O-N 3.12Å; N292-D294 PolarHBondContact OD1-N 3.48Å
295D96.3Very high94.6Very high109 Ų10962.3 Ų62.358%0.58331%0.313SS*.G310 helixtrans-99.611.9-178.1-61.7-43.6000112.6R291 N292 P293R291-D295 PolarHBondContact NH2-O 3.45Å; N292-D295 HydrophobicContact CB-CB 4.46Å; N292-D295 WeakPolarHBondContact CB-OD2 3.48Å; N292-D295 PolarHBondContact O-N 2.94Å; P293-D295 VanDerWaalsContact C-N 3.27Å; P293-D295 PolarHBondContact O-N 3.47Å
296I96.7Very high95.1Very high14 Ų1464.2 Ų64.27%0.07232%0.319CS..  trans-115.9124.7-176.9-56.8157.9000109.6I288 R291 N292 P293 E300 Y301I288-I296 HydrophobicContact CG2-CD1 3.69Å; I288-I296 HydrophobicContact CG2-CG1 4.33Å; I288-I296 HydrophobicContact CG2-CG2 3.88Å; I288-I296 WeakPolarHBondContact O-CD1 3.27Å; R291-I296 HydrophobicContact CB-CD1 3.89Å; R291-I296 HydrophobicContact CB-CG1 4.03Å; N292-I296 WeakPolarHBondContact O-CD1 3.38Å; N292-I296 WeakPolarHBondContact O-CG1 3.3Å; P293-I296 PolarHBondContact O-N 2.85Å; I296-E300 WeakPolarHBondContact CA-OE2 3.11Å; I296-E300 HydrophobicContact CG2-CB 3.96Å; I296-Y301 HydrophobicContact CB-CD2 4.48Å; I296-Y301 HydrophobicContact CB-CE2 3.73Å; I296-Y301 HydrophobicContact CD1-CE1 4.33Å; I296-Y301 VanDerWaalsContact CD1-OH 3.32Å; I296-Y301 WeakPolarHBondContact CD1-OH 3.45Å; I296-Y301 HydrophobicContact CG2-CD1 4.13Å; I296-Y301 HydrophobicContact CG2-CD2 3.68Å; I296-Y301 HydrophobicContact CG2-CE1 3.85Å; I296-Y301 HydrophobicContact CG2-CE2 3.36Å; I296-Y301 HydrophobicContact CG2-CG 4.05Å; I296-Y301 VanDerWaalsContact CG2-CZ 3.45Å
297T96.8Very high95.2Very high66 Ų6658.4 Ų58.441%0.40530%0.299SS..  trans-84.5165.1179.482.60000112.3E299 E300 Y301T297-E299 VanDerWaalsContact C-N 3.26Å; T297-E299 WeakPolarHBondContact CB-OE2 3.42Å; T297-E299 PolarHBondContact O-N 3.01Å; T297-E299 PolarHBondContact OG1-N 3.44Å; T297-E299 PolarHBondContact OG1-OE2 3.29Å; T297-E300 PolarHBondContact N-OE2 2.8Å; T297-E300 PolarHBondContact O-N 3.01Å; T297-E300 PolarHBondContact OG1-N 2.82Å; T297-Y301 VanDerWaalsContact O-CD2 3.23Å; T297-Y301 WeakPolarHBondContact O-CD2 3.26Å; T297-Y301 PolarHBondContact O-N 3.2Å
298Q95.8Very high95.1Very high116 Ų11657.9 Ų57.954%0.54230%0.295SS..Hα-helixtrans-65.3-31.6176.7-70-61.3-4600112.2Y301 G302Q298-Y301 PolarHBondContact O-N 3.01Å; Q298-G302 PolarHBondContact O-N 3.13Å
299E95.4Very high94.9Very high132 Ų13258 Ų5862%0.61730%0.296SS*.Hα-helixtrans-62.4-43.8175.5-60.775-16300111T297 G302 E303T297-E299 VanDerWaalsContact C-N 3.26Å; T297-E299 WeakPolarHBondContact CB-OE2 3.42Å; T297-E299 PolarHBondContact O-N 3.01Å; T297-E299 PolarHBondContact OG1-N 3.44Å; T297-E299 PolarHBondContact OG1-OE2 3.29Å; E299-G302 PolarHBondContact O-N 3.02Å; E299-E303 WeakPolarHBondContact O-CG 3.48Å; E299-E303 PolarHBondContact O-N 3.38Å
300E95.9Very high94.7Very high58 Ų5863.7 Ų63.727%0.27133%0.327SS..Hα-helixtrans-65.6-40.2177.8-64.2-177.7107.600112R291 I296 T297 F304R291-E300 IonicContact CZ-OE1 3.21Å; R291-E300 VanDerWaalsContact CZ-OE1 3.31Å; R291-E300 IonicContact CZ-OE2 3.62Å; R291-E300 IonicContact NH1-OE1 3.74Å; R291-E300 PolarHBondContact NH1-OE1 3.12Å; R291-E300 IonicContact NH1-OE2 3.38Å; R291-E300 VanDerWaalsContact NH2-CD 3.34Å; R291-E300 IonicContact NH2-OE1 2.85Å; R291-E300 PolarHBondContact NH2-OE1 2.99Å; R291-E300 IonicContact NH2-OE2 3.45Å; R291-E300 PolarHBondContact NH2-OE2 3.37Å; I296-E300 WeakPolarHBondContact CA-OE2 3.11Å; I296-E300 HydrophobicContact CG2-CB 3.96Å; T297-E300 PolarHBondContact N-OE2 2.8Å; T297-E300 PolarHBondContact O-N 3.01Å; T297-E300 PolarHBondContact OG1-N 2.82Å; E300-F304 WeakPolarHBondContact O-CB 3.28Å; E300-F304 PolarHBondContact O-N 3.15Å
301Y97.3Very high94.7Very high11 Ų1163 Ų634%0.04332%0.321CS..Hα-helixtrans-63.9-40.3172.2-75.5-60.3000112.3I288 I296 T297 Q298 F304 Y305 V318 H320 L332 F334I288-Y301 HydrophobicContact CG2-CD1 3.86Å; I288-Y301 HydrophobicContact CG2-CE1 3.53Å; I296-Y301 HydrophobicContact CB-CD2 4.48Å; I296-Y301 HydrophobicContact CB-CE2 3.73Å; I296-Y301 HydrophobicContact CD1-CE1 4.33Å; I296-Y301 VanDerWaalsContact CD1-OH 3.32Å; I296-Y301 WeakPolarHBondContact CD1-OH 3.45Å; I296-Y301 HydrophobicContact CG2-CD1 4.13Å; I296-Y301 HydrophobicContact CG2-CD2 3.68Å; I296-Y301 HydrophobicContact CG2-CE1 3.85Å; I296-Y301 HydrophobicContact CG2-CE2 3.36Å; I296-Y301 HydrophobicContact CG2-CG 4.05Å; I296-Y301 VanDerWaalsContact CG2-CZ 3.45Å; T297-Y301 VanDerWaalsContact O-CD2 3.23Å; T297-Y301 WeakPolarHBondContact O-CD2 3.26Å; T297-Y301 PolarHBondContact O-N 3.2Å; Q298-Y301 PolarHBondContact O-N 3.01Å; Y301-F304 PolarHBondContact O-N 2.76Å; Y301-Y305 WeakPolarHBondContact O-CB 3.36Å; Y301-Y305 PolarHBondContact O-N 3.43Å; Y301-V318 HydrophobicContact CD1-CG2 4.04Å; Y301-V318 HydrophobicContact CD2-CG1 4.24Å; Y301-V318 HydrophobicContact CE1-CG2 4.4Å; Y301-V318 HydrophobicContact CG-CG1 4.2Å; Y301-V318 HydrophobicContact CG-CG2 4.36Å; Y301-H320 AromaticContact CZ-ND1 3.99Å; Y301-H320 PolarHBondContact OH-ND1 2.82Å; Y301-L332 HydrophobicContact CD1-CD2 4.34Å; Y301-L332 HydrophobicContact CE1-CD1 4.45Å; Y301-L332 HydrophobicContact CE1-CD2 3.62Å; Y301-F334 HydrophobicContact CD1-CZ 4.44Å
302G96.7Very high94.7Very high1 Ų168.5 Ų68.51%0.0134%0.342CS..Hα-helixtrans-62.6-49.4177.400000112.4Q298 E299 F304 Y305 K306 D314Q298-G302 PolarHBondContact O-N 3.13Å; E299-G302 PolarHBondContact O-N 3.02Å; G302-F304 VanDerWaalsContact C-N 3.33Å; G302-F304 PolarHBondContact O-N 3.22Å; G302-Y305 PolarHBondContact O-N 3.4Å; G302-K306 WeakPolarHBondContact O-CG 3.45Å; G302-K306 PolarHBondContact O-N 2.92Å; G302-D314 WeakPolarHBondContact CA-OD1 3.49Å
303E95Very high94.7Very high141 Ų14166.6 Ų66.666%0.65933%0.33SS*.Hα-helixtrans-60.3-42.7175.7-72.9-173.3169.800112E299 K306 S307E299-E303 WeakPolarHBondContact O-CG 3.48Å; E299-E303 PolarHBondContact O-N 3.38Å; E303-K306 PolarHBondContact O-N 3.49Å; E303-S307 WeakPolarHBondContact O-CB 3.46Å; E303-S307 PolarHBondContact O-N 3.42Å
304F95.8Very high94.8Very high5 Ų566.9 Ų66.92%0.02233%0.329CS..Hα-helixtrans-62.5-44.6175.4178.2-89.7000112.1F208 T285 I288 W289 E300 Y301 G302 K306 S307 L308 L332 F334 V380F208-F304 AromaticContact CE1-CE2 3.64Å; F208-F304 HydrophobicContact CE1-CE2 3.64Å; F208-F304 HydrophobicContact CE1-CZ 4.26Å; F208-F304 AromaticContact CZ-CE2 3.87Å; F208-F304 HydrophobicContact CZ-CE2 3.87Å; F208-F304 HydrophobicContact CZ-CZ 4.04Å; T285-F304 HydrophobicContact CG2-CD2 3.89Å; T285-F304 HydrophobicContact CG2-CE2 4.15Å; I288-F304 HydrophobicContact CB-CD2 4.2Å; I288-F304 HydrophobicContact CB-CG 4.36Å; I288-F304 HydrophobicContact CG1-CB 3.77Å; I288-F304 HydrophobicContact CG1-CD2 3.49Å; I288-F304 VanDerWaalsContact CG1-CD2 3.49Å; I288-F304 HydrophobicContact CG1-CE2 4.25Å; I288-F304 HydrophobicContact CG1-CG 3.69Å; W289-F304 HydrophobicContact CE3-CE2 4.38Å; W289-F304 HydrophobicContact CE3-CZ 4.1Å; W289-F304 AromaticContact CZ3-CE2 3.83Å; W289-F304 HydrophobicContact CZ3-CE2 3.83Å; W289-F304 AromaticContact CZ3-CZ 3.66Å; W289-F304 HydrophobicContact CZ3-CZ 3.66Å; E300-F304 WeakPolarHBondContact O-CB 3.28Å; E300-F304 PolarHBondContact O-N 3.15Å; Y301-F304 PolarHBondContact O-N 2.76Å; G302-F304 VanDerWaalsContact C-N 3.33Å; G302-F304 PolarHBondContact O-N 3.22Å; F304-K306 PolarHBondContact O-N 3.25Å; F304-S307 PolarHBondContact O-N 3.34Å; F304-L308 HydrophobicContact CE1-CB 4.37Å; F304-L308 HydrophobicContact CE1-CD2 3.99Å; F304-L308 VanDerWaalsContact O-CB 3.29Å; F304-L308 WeakPolarHBondContact O-CB 3.35Å; F304-L308 PolarHBondContact O-N 3.07Å; F304-L332 HydrophobicContact CD1-CD1 4.29Å; F304-L332 HydrophobicContact CE1-CD1 3.96Å; F304-L332 HydrophobicContact CZ-CD1 4.36Å; F304-F334 AromaticContact CD1-CE2 3.89Å; F304-F334 HydrophobicContact CD1-CE2 3.89Å; F304-F334 AromaticContact CD1-CZ 3.63Å; F304-F334 HydrophobicContact CD1-CZ 3.63Å; F304-F334 AromaticContact CE1-CE2 3.84Å; F304-F334 HydrophobicContact CE1-CE2 3.84Å; F304-F334 HydrophobicContact CE1-CZ 4.05Å; F304-V380 HydrophobicContact CE1-CG2 4.5Å; F304-V380 HydrophobicContact CZ-CG2 4.11Å
305Y96.7Very high94.9Very high3 Ų360.4 Ų60.41%0.01229%0.294CS..Hα-helixtrans-59.1-47.3176.9169.2-98.8000111.9Y301 G302 S307 L308 T309 D311 E313 H315 F334 P336 R378Y301-Y305 WeakPolarHBondContact O-CB 3.36Å; Y301-Y305 PolarHBondContact O-N 3.43Å; G302-Y305 PolarHBondContact O-N 3.4Å; Y305-S307 VanDerWaalsContact C-N 3.35Å; Y305-S307 PolarHBondContact O-N 2.84Å; Y305-L308 PolarHBondContact O-N 2.84Å; Y305-T309 HydrophobicContact CD2-CG2 3.89Å; Y305-T309 HydrophobicContact CE2-CG2 3.64Å; Y305-T309 WeakPolarHBondContact O-CB 3.47Å; Y305-T309 WeakPolarHBondContact O-CG2 3.43Å; Y305-T309 PolarHBondContact O-N 3.38Å; Y305-T309 PolarHBondContact O-OG1 3.36Å; Y305-D311 HydrophobicContact CE1-CB 3.74Å; Y305-D311 WeakPolarHBondContact CE1-OD2 3.35Å; Y305-D311 PolarHBondContact OH-OD2 2.84Å; Y305-E313 VanDerWaalsContact CE1-O 3.31Å; Y305-E313 WeakPolarHBondContact CE1-O 3.28Å; Y305-H315 HydrophobicContact CD1-CB 4Å; Y305-H315 HydrophobicContact CD2-CB 3.93Å; Y305-H315 HydrophobicContact CE1-CB 4.25Å; Y305-H315 HydrophobicContact CE2-CB 4.16Å; Y305-H315 HydrophobicContact CG-CB 3.84Å; Y305-F334 HydrophobicContact CD2-CB 3.6Å; Y305-F334 AromaticContact CD2-CD1 3.79Å; Y305-F334 HydrophobicContact CD2-CD1 3.79Å; Y305-F334 HydrophobicContact CD2-CD2 4.33Å; Y305-F334 AromaticContact CD2-CG 3.65Å; Y305-F334 HydrophobicContact CD2-CG 3.65Å; Y305-F334 HydrophobicContact CE2-CB 3.89Å; Y305-F334 HydrophobicContact CE2-CG 4.44Å; Y305-F334 HydrophobicContact CG-CD1 4.17Å; Y305-F334 HydrophobicContact CG-CG 4.46Å; Y305-P336 WeakPolarHBondContact OH-CB 3.47Å; Y305-R378 HydrophobicContact CE2-CB 4.46Å
306K94.6Very high95Very high68 Ų6856 Ų5630%0.29627%0.27SS..Hα-helixtrans-59.5-45.5177.5-70.3169.8168.81520111.1G302 E303 F304 N310 D311 W312 D314G302-K306 WeakPolarHBondContact O-CG 3.45Å; G302-K306 PolarHBondContact O-N 2.92Å; E303-K306 PolarHBondContact O-N 3.49Å; F304-K306 PolarHBondContact O-N 3.25Å; K306-N310 VanDerWaalsContact O-CA 3.23Å; K306-N310 WeakPolarHBondContact O-CA 3.4Å; K306-N310 PolarHBondContact O-N 3.26Å; K306-D311 WeakPolarHBondContact CA-O 3.23Å; K306-D311 WeakPolarHBondContact CB-O 3.3Å; K306-D311 WeakPolarHBondContact CG-O 3.36Å; K306-W312 WeakPolarHBondContact CE-O 3.48Å; K306-D314 WeakPolarHBondContact CE-OD1 3.47Å; K306-D314 IonicContact NZ-OD1 2.94Å; K306-D314 PolarHBondContact NZ-OD1 3.48Å; K306-D314 IonicContact NZ-OD2 3.59Å; K306-D314 PolarHBondContact NZ-OD2 2.89Å
307S90.6Very high95Very high39 Ų3956 Ų5627%0.27327%0.272SS..Hα-helixtrans-64-41.2176.2-1770000113T285 E303 F304 Y305T285-S307 PolarHBondContact OG1-OG 2.93Å; E303-S307 WeakPolarHBondContact O-CB 3.46Å; E303-S307 PolarHBondContact O-N 3.42Å; F304-S307 PolarHBondContact O-N 3.34Å; Y305-S307 VanDerWaalsContact C-N 3.35Å; Y305-S307 PolarHBondContact O-N 2.84Å
308L91.5Very high95.1Very high9 Ų954 Ų545%0.04726%0.26CS..Hα-helixtrans-66-40.1-179.2177.765.4000112.4F304 Y305 F334 V380F304-L308 HydrophobicContact CE1-CB 4.37Å; F304-L308 HydrophobicContact CE1-CD2 3.99Å; F304-L308 VanDerWaalsContact O-CB 3.29Å; F304-L308 WeakPolarHBondContact O-CB 3.35Å; F304-L308 PolarHBondContact O-N 3.07Å; Y305-L308 PolarHBondContact O-N 2.84Å; L308-F334 HydrophobicContact CD2-CD2 4.47Å; L308-F334 HydrophobicContact CD2-CE2 4.44Å; L308-V380 HydrophobicContact CD1-CG2 3.84Å; L308-V380 HydrophobicContact CD2-CG2 4.02Å
309T91.2Very high95.2Very high15 Ų1550.2 Ų50.29%0.09224%0.242CC..Hα-helixtrans-104.8-17.9-167.862.30000114Y305 D311 R378Y305-T309 HydrophobicContact CD2-CG2 3.89Å; Y305-T309 HydrophobicContact CE2-CG2 3.64Å; Y305-T309 WeakPolarHBondContact O-CB 3.47Å; Y305-T309 WeakPolarHBondContact O-CG2 3.43Å; Y305-T309 PolarHBondContact O-N 3.38Å; Y305-T309 PolarHBondContact O-OG1 3.36Å; T309-D311 PolarHBondContact O-N 3.31Å; T309-D311 WeakPolarHBondContact OG1-CB 3.18Å; T309-D311 PolarHBondContact OG1-N 3.4Å; T309-D311 VanDerWaalsContact OG1-N 3.12Å; T309-R378 HydrophobicContact CG2-CB 3.95Å; T309-R378 HydrophobicContact CG2-CG 3.97Å
310N90Very high95.4Very high122 Ų12245.4 Ų45.465%0.65222%0.219SC*.  trans56.823.1-162.8-41.2-71.9000113.2K203 K306K203-N310 PolarHBondContact NZ-OD1 2.89Å; K306-N310 VanDerWaalsContact O-CA 3.23Å; K306-N310 WeakPolarHBondContact O-CA 3.4Å; K306-N310 PolarHBondContact O-N 3.26Å
311D93.4Very high95.4Very high42 Ų4243.2 Ų43.223%0.22521%0.208CC..  trans-75.6138.7166.2-166.5-8.7000108.9Y305 K306 T309 E313Y305-D311 HydrophobicContact CE1-CB 3.74Å; Y305-D311 WeakPolarHBondContact CE1-OD2 3.35Å; Y305-D311 PolarHBondContact OH-OD2 2.84Å; K306-D311 WeakPolarHBondContact CA-O 3.23Å; K306-D311 WeakPolarHBondContact CB-O 3.3Å; K306-D311 WeakPolarHBondContact CG-O 3.36Å; T309-D311 PolarHBondContact O-N 3.31Å; T309-D311 WeakPolarHBondContact OG1-CB 3.18Å; T309-D311 PolarHBondContact OG1-N 3.4Å; T309-D311 VanDerWaalsContact OG1-N 3.12Å; D311-E313 PolarHBondContact OD1-N 3Å
312W93.2Very high95.3Very high204 Ų20445.2 Ų45.277%0.77322%0.224SC*.SBendtrans-89-18.7177.862.4-90.2000111.8K306K306-W312 WeakPolarHBondContact CE-O 3.48Å
313E95.4Very high95.2Very high41 Ų4146.6 Ų46.619%0.19223%0.232CC..SBendtrans-88152175.3-153.3177.9166.800110.1Y305 D311 R337 R338Y305-E313 VanDerWaalsContact CE1-O 3.31Å; Y305-E313 WeakPolarHBondContact CE1-O 3.28Å; D311-E313 PolarHBondContact OD1-N 3Å; E313-R337 WeakPolarHBondContact OE1-CD 3.41Å; E313-R338 IonicContact OE1-NH2 3.13Å; E313-R338 IonicContact OE2-CZ 3.03Å; E313-R338 IonicContact OE2-NE 2.82Å; E313-R338 PolarHBondContact OE2-NE 3.39Å; E313-R338 IonicContact OE2-NH2 3.85Å
314D96.8Very high95Very high64 Ų6447.9 Ų47.934%0.34224%0.238SC..PPolyproline II helixtrans-71.6159172.6-73.6-43.6000111.5G302 K306 R337G302-D314 WeakPolarHBondContact CA-OD1 3.49Å; K306-D314 WeakPolarHBondContact CE-OD1 3.47Å; K306-D314 IonicContact NZ-OD1 2.94Å; K306-D314 PolarHBondContact NZ-OD1 3.48Å; K306-D314 IonicContact NZ-OD2 3.59Å; K306-D314 PolarHBondContact NZ-OD2 2.89Å; D314-R337 WeakPolarHBondContact O-CD 3.49Å; D314-R337 VanDerWaalsContact O-CG 3.3Å; D314-R337 WeakPolarHBondContact O-CG 3.48Å; D314-R337 PolarHBondContact O-NE 3.05Å
315H98Very high94.5Very high9 Ų950.6 Ų50.64%0.04227%0.268CS..PPolyproline II helixtrans-6215817263.875.8000112Y305 A317 F334 R337Y305-H315 HydrophobicContact CD1-CB 4Å; Y305-H315 HydrophobicContact CD2-CB 3.93Å; Y305-H315 HydrophobicContact CE1-CB 4.25Å; Y305-H315 HydrophobicContact CE2-CB 4.16Å; Y305-H315 HydrophobicContact CG-CB 3.84Å; H315-A317 PolarHBondContact ND1-N 3.2Å; H315-F334 HydrophobicContact CB-CB 4.38Å; H315-F334 HydrophobicContact CB-CD1 3.93Å; H315-F334 AromaticContact CD2-CD1 3.5Å; H315-F334 VanDerWaalsContact CD2-CD1 3.5Å; H315-F334 WeakPolarHBondContact CD2-CD1 3.27Å; H315-F334 AromaticContact CD2-CE1 3.65Å; H315-F334 AromaticContact CG-CD1 3.73Å; H315-R337 PolarHBondContact O-NE 3.38Å; H315-R337 PolarHBondContact O-NH2 3.02Å
316L97.9Very high93.8Very high17 Ų1759.7 Ų59.79%0.08931%0.31CS..SBendtrans-77.4-45.5172.3-176.261000111I335 R337 L419 N425 F429L316-I335 HydrophobicContact CB-CG2 4.19Å; L316-I335 WeakPolarHBondContact CB-O 3.27Å; L316-I335 HydrophobicContact CD2-CG2 4.14Å; L316-I335 PolarHBondContact N-O 3.05Å; L316-R337 HydrophobicContact CB-CG 3.85Å; L316-R337 HydrophobicContact CD1-CG 4.3Å; L316-L419 HydrophobicContact CD2-CD2 4.29Å; L316-N425 HydrophobicContact CD1-CB 4.22Å; L316-F429 HydrophobicContact CD2-CB 3.59Å; L316-F429 HydrophobicContact CD2-CD2 4.38Å; L316-F429 HydrophobicContact CD2-CG 4.46Å
317A98.2Very high93.5Very high14 Ų1457.6 Ų57.612%0.11630%0.302CS..EExtended strand (participates in β ladder)trans-152.7154.3-179.100000110.4H315 F334 I335 L415 L419H315-A317 PolarHBondContact ND1-N 3.2Å; A317-F334 WeakPolarHBondContact O-CA 3.39Å; A317-I335 HydrophobicContact CB-CB 4.43Å; A317-I335 HydrophobicContact CB-CD1 4.29Å; A317-I335 PolarHBondContact O-N 3.21Å; A317-L415 HydrophobicContact CB-CD1 4.14Å; A317-L419 HydrophobicContact CB-CD1 4.27Å
318V98.3Very high93.5Very high24 Ų2459.7 Ų59.715%0.14531%0.308CS..EExtended strand (participates in β ladder)trans-133.5143-179.559.90000110.1Y301 L333 F334Y301-V318 HydrophobicContact CD1-CG2 4.04Å; Y301-V318 HydrophobicContact CD2-CG1 4.24Å; Y301-V318 HydrophobicContact CE1-CG2 4.4Å; Y301-V318 HydrophobicContact CG-CG1 4.2Å; Y301-V318 HydrophobicContact CG-CG2 4.36Å; V318-L333 CarbonylContact C-O 3.59Å; V318-L333 VanDerWaalsContact CA-O 3.28Å; V318-L333 WeakPolarHBondContact CA-O 3.4Å; V318-F334 HydrophobicContact CB-CD1 3.86Å; V318-F334 HydrophobicContact CB-CE1 3.9Å; V318-F334 HydrophobicContact CG2-CD1 3.68Å; V318-F334 HydrophobicContact CG2-CE1 3.37Å; V318-F334 HydrophobicContact CG2-CG 4.4Å; V318-F334 HydrophobicContact CG2-CZ 3.83Å
319K98.1Very high93.7Very high36 Ų3659.3 Ų59.316%0.15731%0.306CS..EExtended strand (participates in β ladder)trans-125.3116.9169.5-165.664.4162.5-174.80110.1L333 L415 E418K319-L333 HydrophobicContact CB-CB 4.49Å; K319-L333 PolarHBondContact N-O 2.97Å; K319-L333 PolarHBondContact O-N 3.39Å; K319-L415 HydrophobicContact CB-CB 4.27Å; K319-L415 HydrophobicContact CB-CD1 4.19Å; K319-L415 HydrophobicContact CB-CD2 3.98Å; K319-L415 HydrophobicContact CB-CG 4.36Å; K319-L415 HydrophobicContact CD-CD1 4.43Å; K319-E418 IonicContact NZ-OE1 3.8Å; K319-E418 PolarHBondContact NZ-OE1 2.96Å; K319-E418 IonicContact NZ-OE2 3.73Å; K319-E418 PolarHBondContact NZ-OE2 3.38Å
320H98.1Very high94Very high30 Ų3063.1 Ų63.114%0.13932%0.318CS..EExtended strand (participates in β ladder)trans-95.6126.2167.5-166.1167.1000108.7W289 Y301 L332W289-H320 PolarHBondContact O-NE2 3.06Å; Y301-H320 AromaticContact CZ-ND1 3.99Å; Y301-H320 PolarHBondContact OH-ND1 2.82Å; H320-L332 HydrophobicContact CB-CD2 3.54Å
321F97.1Very high94.3Very high12 Ų1257.3 Ų57.35%0.05329%0.287CS..EExtended strand (participates in β ladder)trans-146.215717373-81.5000112V323 F329 A331 L333 I408 K411F321-V323 HydrophobicContact CD2-CG2 4.04Å; F321-V323 HydrophobicContact CE2-CG2 3.95Å; F321-F329 AromaticContact CE2-CE2 3.59Å; F321-F329 HydrophobicContact CE2-CE2 3.59Å; F321-F329 HydrophobicContact CE2-CZ 4.11Å; F321-F329 AromaticContact CZ-CE2 3.96Å; F321-F329 HydrophobicContact CZ-CE2 3.96Å; F321-A331 HydrophobicContact CD1-CB 4.11Å; F321-A331 HydrophobicContact CE1-CB 3.47Å; F321-A331 VanDerWaalsContact CE1-CB 3.47Å; F321-A331 HydrophobicContact CE2-CB 4.23Å; F321-A331 HydrophobicContact CZ-CB 3.56Å; F321-A331 PolarHBondContact N-O 3.4Å; F321-A331 PolarHBondContact O-N 3.28Å; F321-L333 HydrophobicContact CD1-CD1 4.36Å; F321-L333 HydrophobicContact CE1-CD1 3.55Å; F321-L333 HydrophobicContact CE1-CG 3.86Å; F321-L333 HydrophobicContact CZ-CD1 4.36Å; F321-I408 HydrophobicContact CZ-CG1 4.07Å; F321-K411 HydrophobicContact CB-CD 4.31Å; F321-K411 HydrophobicContact CB-CG 4.26Å; F321-K411 HydrophobicContact CD1-CB 4.04Å; F321-K411 HydrophobicContact CD1-CG 4Å; F321-K411 HydrophobicContact CD2-CG 3.75Å; F321-K411 HydrophobicContact CE1-CB 4.07Å; F321-K411 HydrophobicContact CE1-CG 4.23Å; F321-K411 HydrophobicContact CE2-CG 3.99Å; F321-K411 HydrophobicContact CG-CB 4.3Å; F321-K411 HydrophobicContact CG-CD 4.32Å; F321-K411 HydrophobicContact CG-CG 3.74Å; F321-K411 HydrophobicContact CZ-CB 4.35Å; F321-K411 HydrophobicContact CZ-CG 4.22Å
322S95.9Very high94.6Very high53 Ų5355.3 Ų55.337%0.37128%0.277SS..EExtended strand (participates in β ladder)trans-124.8150.7170.5-179.30000109.5F329S322-F329 CarbonylContact C-O 3.55Å; S322-F329 WeakPolarHBondContact CA-O 3.16Å; S322-F329 PolarHBondContact OG-O 2.94Å
323V94.5Very high94.8Very high31 Ų3145.6 Ų45.619%0.18824%0.24CC..EExtended strand (participates in β ladder)trans-121.4122.9170.91800000106.8F321 E328 F329 N407F321-V323 HydrophobicContact CD2-CG2 4.04Å; F321-V323 HydrophobicContact CE2-CG2 3.95Å; V323-E328 WeakPolarHBondContact O-CA 3.26Å; V323-F329 HydrophobicContact CB-CD1 3.97Å; V323-F329 HydrophobicContact CB-CE1 3.65Å; V323-F329 HydrophobicContact CB-CZ 4Å; V323-F329 HydrophobicContact CG1-CE1 4.08Å; V323-F329 HydrophobicContact CG2-CD1 4.41Å; V323-F329 HydrophobicContact CG2-CE1 3.72Å; V323-F329 HydrophobicContact CG2-CE2 4.05Å; V323-F329 HydrophobicContact CG2-CZ 3.52Å; V323-F329 PolarHBondContact N-O 3.18Å; V323-F329 PolarHBondContact O-N 3.17Å; V323-F329 VanDerWaalsContact O-N 3.09Å; V323-N407 HydrophobicContact CG2-CB 4.23Å
324E89.6Confident95Very high167 Ų16743.6 Ų43.678%0.7823%0.231SC*.  trans-106.1150.1174.2-62.8175.7-175.600109.4
325G85.9Confident95Very high62 Ų6240.6 Ų40.664%0.63921%0.214SC*.SBendtrans139.9-141.1177.500000112.6L327G325-L327 PolarHBondContact O-N 3.07Å
326Q81.4Confident95Very high195 Ų19540.5 Ų40.591%0.91122%0.215SC*.SBendtrans-67.2-23.6176.3-174.9178.310.300112.9
327L87.9Confident95Very high24 Ų2443.7 Ų43.713%0.12623%0.226CC..SBendtrans-127.6109.2176.8175.869.3000107G325 F329 L386 I400 V403 I404G325-L327 PolarHBondContact O-N 3.07Å; L327-F329 HydrophobicContact CD2-CD1 4.09Å; L327-F329 HydrophobicContact CD2-CE1 3.97Å; L327-F329 HydrophobicContact CG-CD1 3.98Å; L327-F329 HydrophobicContact CG-CE1 4.31Å; L327-L386 HydrophobicContact CD1-CD2 3.5Å; L327-L386 VanDerWaalsContact CD1-CD2 3.5Å; L327-I400 HydrophobicContact CD1-CG2 3.66Å; L327-I400 HydrophobicContact CD2-CG2 3.96Å; L327-I400 HydrophobicContact CG-CG2 4.46Å; L327-V403 HydrophobicContact CD2-CB 4.26Å; L327-V403 HydrophobicContact CD2-CG1 3.97Å; L327-I404 HydrophobicContact CD2-CD1 4.36Å; L327-I404 HydrophobicContact CD2-CG1 3.62Å
328E92Very high94.9Very high82 Ų8250.8 Ų50.838%0.38325%0.249SC..  trans-100.4123.3-178.9-167.3178.7165.600110.7V323 S383V323-E328 WeakPolarHBondContact O-CA 3.26Å; E328-S383 WeakPolarHBondContact O-CB 3.28Å; E328-S383 PolarHBondContact O-OG 3.11Å
329F94.8Very high94.9Very high2 Ų251.6 Ų51.61%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-154.6157.3173.168.7-87.1000112.2F321 S322 V323 L327 A331 V381 D382 I404 N407F321-F329 AromaticContact CE2-CE2 3.59Å; F321-F329 HydrophobicContact CE2-CE2 3.59Å; F321-F329 HydrophobicContact CE2-CZ 4.11Å; F321-F329 AromaticContact CZ-CE2 3.96Å; F321-F329 HydrophobicContact CZ-CE2 3.96Å; S322-F329 CarbonylContact C-O 3.55Å; S322-F329 WeakPolarHBondContact CA-O 3.16Å; S322-F329 PolarHBondContact OG-O 2.94Å; V323-F329 HydrophobicContact CB-CD1 3.97Å; V323-F329 HydrophobicContact CB-CE1 3.65Å; V323-F329 HydrophobicContact CB-CZ 4Å; V323-F329 HydrophobicContact CG1-CE1 4.08Å; V323-F329 HydrophobicContact CG2-CD1 4.41Å; V323-F329 HydrophobicContact CG2-CE1 3.72Å; V323-F329 HydrophobicContact CG2-CE2 4.05Å; V323-F329 HydrophobicContact CG2-CZ 3.52Å; V323-F329 PolarHBondContact N-O 3.18Å; V323-F329 PolarHBondContact O-N 3.17Å; V323-F329 VanDerWaalsContact O-N 3.09Å; L327-F329 HydrophobicContact CD2-CD1 4.09Å; L327-F329 HydrophobicContact CD2-CE1 3.97Å; L327-F329 HydrophobicContact CG-CD1 3.98Å; L327-F329 HydrophobicContact CG-CE1 4.31Å; F329-A331 HydrophobicContact CD2-CB 4.34Å; F329-A331 HydrophobicContact CE2-CB 4.42Å; F329-V381 HydrophobicContact CB-CG1 4.41Å; F329-V381 HydrophobicContact CD2-CG1 3.75Å; F329-V381 HydrophobicContact CE2-CG1 4.32Å; F329-V381 HydrophobicContact CG-CG1 4.29Å; F329-D382 CarbonylContact C-O 3.59Å; F329-D382 VanDerWaalsContact CA-O 3.26Å; F329-D382 WeakPolarHBondContact CA-O 3.27Å; F329-D382 VanDerWaalsContact CB-O 3.29Å; F329-D382 WeakPolarHBondContact CB-O 3.27Å; F329-I404 HydrophobicContact CD1-CG1 4.46Å; F329-I404 HydrophobicContact CE1-CG1 4.14Å; F329-I404 HydrophobicContact CE2-CG2 4.43Å; F329-I404 HydrophobicContact CZ-CG1 4.45Å; F329-I404 HydrophobicContact CZ-CG2 4.3Å; F329-N407 HydrophobicContact CZ-CB 3.91Å
330R96.9Very high94.7Very high94 Ų9452.5 Ų52.536%0.35527%0.268SS..EExtended strand (participates in β ladder)trans-117.7148.2170.3-56.6-170.4-175.4178.44.8109.1W289 T290 D382W289-R330 HydrophobicContact CB-CB 4.2Å; W289-R330 WeakPolarHBondContact O-CD 3.41Å; W289-R330 PolarHBondContact O-NH1 3.1Å; T290-R330 PolarHBondContact O-NH1 3.31Å; R330-D382 PolarHBondContact N-O 2.87Å; R330-D382 PolarHBondContact O-N 3.29Å
331A97.5Very high94.5Very high0 Ų060.7 Ų60.70%030%0.304CS..EExtended strand (participates in β ladder)trans-147.6146.7-178.300000112.7F321 F329 V380 V381F321-A331 HydrophobicContact CD1-CB 4.11Å; F321-A331 HydrophobicContact CE1-CB 3.47Å; F321-A331 VanDerWaalsContact CE1-CB 3.47Å; F321-A331 HydrophobicContact CE2-CB 4.23Å; F321-A331 HydrophobicContact CZ-CB 3.56Å; F321-A331 PolarHBondContact N-O 3.4Å; F321-A331 PolarHBondContact O-N 3.28Å; F329-A331 HydrophobicContact CD2-CB 4.34Å; F329-A331 HydrophobicContact CE2-CB 4.42Å; A331-V380 WeakPolarHBondContact CA-O 3.22Å; A331-V380 WeakPolarHBondContact CB-O 3.31Å; A331-V381 HydrophobicContact CB-CG2 4.07Å
332L98.2Very high94.3Very high0 Ų061.6 Ų61.60%031%0.309CS..EExtended strand (participates in β ladder)trans-118.4124.1169.7-67.4174.5000108.8I288 W289 Y301 F304 H320 F334 G379 V380I288-L332 HydrophobicContact CB-CD1 3.78Å; I288-L332 HydrophobicContact CG2-CD1 3.9Å; W289-L332 HydrophobicContact CB-CD1 4.18Å; W289-L332 HydrophobicContact CB-CG 4.08Å; W289-L332 HydrophobicContact CE3-CD1 4.18Å; Y301-L332 HydrophobicContact CD1-CD2 4.34Å; Y301-L332 HydrophobicContact CE1-CD1 4.45Å; Y301-L332 HydrophobicContact CE1-CD2 3.62Å; F304-L332 HydrophobicContact CD1-CD1 4.29Å; F304-L332 HydrophobicContact CE1-CD1 3.96Å; F304-L332 HydrophobicContact CZ-CD1 4.36Å; H320-L332 HydrophobicContact CB-CD2 3.54Å; L332-F334 HydrophobicContact CB-CE2 3.67Å; L332-F334 HydrophobicContact CB-CZ 4.15Å; L332-F334 HydrophobicContact CD1-CZ 4.42Å; L332-G379 CarbonylContact O-C 3.6Å; L332-G379 WeakPolarHBondContact O-CA 3.37Å; L332-V380 PolarHBondContact N-O 3.45Å; L332-V380 PolarHBondContact O-N 3.16Å
333L98.3Very high94.2Very high0 Ų060 Ų600%030%0.296CS..EExtended strand (participates in β ladder)trans-118.8132178.1-56.3177.5000109.4V318 K319 F321 I353 I377 R378 I408 C412V318-L333 CarbonylContact C-O 3.59Å; V318-L333 VanDerWaalsContact CA-O 3.28Å; V318-L333 WeakPolarHBondContact CA-O 3.4Å; K319-L333 HydrophobicContact CB-CB 4.49Å; K319-L333 PolarHBondContact N-O 2.97Å; K319-L333 PolarHBondContact O-N 3.39Å; F321-L333 HydrophobicContact CD1-CD1 4.36Å; F321-L333 HydrophobicContact CE1-CD1 3.55Å; F321-L333 HydrophobicContact CE1-CG 3.86Å; F321-L333 HydrophobicContact CZ-CD1 4.36Å; L333-I353 HydrophobicContact CD2-CD1 3.75Å; L333-I377 HydrophobicContact CB-CG2 3.92Å; L333-I377 HydrophobicContact CD2-CG2 4.17Å; L333-R378 CarbonylContact C-O 3.11Å; L333-I408 HydrophobicContact CD1-CG2 4Å; L333-I408 HydrophobicContact CD2-CG2 4.34Å; L333-C412 VanDerWaalsContact CD1-SG 3.6Å
334F98.6Very high94.1Very high0 Ų063.7 Ų63.70%031%0.31CS..EExtended strand (participates in β ladder)trans-122.5133.7-176.7-62.4-89.7000110.1Y301 F304 Y305 L308 H315 A317 V318 L332 I377 R378Y301-F334 HydrophobicContact CD1-CZ 4.44Å; F304-F334 AromaticContact CD1-CE2 3.89Å; F304-F334 HydrophobicContact CD1-CE2 3.89Å; F304-F334 AromaticContact CD1-CZ 3.63Å; F304-F334 HydrophobicContact CD1-CZ 3.63Å; F304-F334 AromaticContact CE1-CE2 3.84Å; F304-F334 HydrophobicContact CE1-CE2 3.84Å; F304-F334 HydrophobicContact CE1-CZ 4.05Å; Y305-F334 HydrophobicContact CD2-CB 3.6Å; Y305-F334 AromaticContact CD2-CD1 3.79Å; Y305-F334 HydrophobicContact CD2-CD1 3.79Å; Y305-F334 HydrophobicContact CD2-CD2 4.33Å; Y305-F334 AromaticContact CD2-CG 3.65Å; Y305-F334 HydrophobicContact CD2-CG 3.65Å; Y305-F334 HydrophobicContact CE2-CB 3.89Å; Y305-F334 HydrophobicContact CE2-CG 4.44Å; Y305-F334 HydrophobicContact CG-CD1 4.17Å; Y305-F334 HydrophobicContact CG-CG 4.46Å; L308-F334 HydrophobicContact CD2-CD2 4.47Å; L308-F334 HydrophobicContact CD2-CE2 4.44Å; H315-F334 HydrophobicContact CB-CB 4.38Å; H315-F334 HydrophobicContact CB-CD1 3.93Å; H315-F334 AromaticContact CD2-CD1 3.5Å; H315-F334 VanDerWaalsContact CD2-CD1 3.5Å; H315-F334 WeakPolarHBondContact CD2-CD1 3.27Å; H315-F334 AromaticContact CD2-CE1 3.65Å; H315-F334 AromaticContact CG-CD1 3.73Å; A317-F334 WeakPolarHBondContact O-CA 3.39Å; V318-F334 HydrophobicContact CB-CD1 3.86Å; V318-F334 HydrophobicContact CB-CE1 3.9Å; V318-F334 HydrophobicContact CG2-CD1 3.68Å; V318-F334 HydrophobicContact CG2-CE1 3.37Å; V318-F334 HydrophobicContact CG2-CG 4.4Å; V318-F334 HydrophobicContact CG2-CZ 3.83Å; L332-F334 HydrophobicContact CB-CE2 3.67Å; L332-F334 HydrophobicContact CB-CZ 4.15Å; L332-F334 HydrophobicContact CD1-CZ 4.42Å; F334-I377 WeakPolarHBondContact O-CA 3.43Å; F334-R378 HydrophobicContact CB-CB 4.42Å; F334-R378 PolarHBondContact N-O 3.31Å; F334-R378 PolarHBondContact O-N 2.95Å
335I98.5Very high94.2Very high0 Ų060.8 Ų60.80%030%0.296CS..EExtended strand (participates in β ladder)trans-95.6116.4167.3-62.3175.9000107.2L316 A317 F376 L415 F416 L419 F429 F433L316-I335 HydrophobicContact CB-CG2 4.19Å; L316-I335 WeakPolarHBondContact CB-O 3.27Å; L316-I335 HydrophobicContact CD2-CG2 4.14Å; L316-I335 PolarHBondContact N-O 3.05Å; A317-I335 HydrophobicContact CB-CB 4.43Å; A317-I335 HydrophobicContact CB-CD1 4.29Å; A317-I335 PolarHBondContact O-N 3.21Å; I335-F376 HydrophobicContact CG2-CE2 4.26Å; I335-L415 HydrophobicContact CD1-CD2 3.52Å; I335-L415 HydrophobicContact CD1-CG 3.98Å; I335-L415 HydrophobicContact CG1-CD2 3.82Å; I335-F416 HydrophobicContact CD1-CD1 3.64Å; I335-F416 HydrophobicContact CD1-CE1 3.46Å; I335-F416 VanDerWaalsContact CD1-CE1 3.46Å; I335-F416 HydrophobicContact CG1-CE1 4.2Å; I335-L419 HydrophobicContact CD1-CD2 4.21Å; I335-F429 HydrophobicContact CD1-CD2 4.45Å; I335-F429 HydrophobicContact CD1-CE2 4.18Å; I335-F429 HydrophobicContact CG2-CD2 3.75Å; I335-F429 HydrophobicContact CG2-CE2 4.01Å; I335-F433 HydrophobicContact CG2-CD2 4.47Å; I335-F433 HydrophobicContact CG2-CE2 4.11Å
336P98.1Very high94.1Very high8 Ų865.1 Ų65.15%0.05231%0.305CS..  trans-62.1154.5172.8-22.434.5000111.7Y305 R338 F376 R378 F433Y305-P336 WeakPolarHBondContact OH-CB 3.47Å; P336-R338 VanDerWaalsContact C-N 3.3Å; P336-R338 WeakPolarHBondContact CB-O 3.01Å; P336-F376 WeakPolarHBondContact CD-O 3.48Å; P336-F376 WeakPolarHBondContact CG-O 3.33Å; P336-R378 HydrophobicContact CG-CG 4.08Å; P336-F433 HydrophobicContact CB-CZ 4.33Å; P336-F433 VanDerWaalsContact O-CE2 3.3Å; P336-F433 WeakPolarHBondContact O-CE2 3.47Å
337R97.6Very high94.4Very high83 Ų8365.4 Ų65.431%0.31330%0.303SS..SBendtrans-70.5-28173.4-74179.4-173.4-84.3-7.3113.4E313 D314 H315 L316E313-R337 WeakPolarHBondContact OE1-CD 3.41Å; D314-R337 WeakPolarHBondContact O-CD 3.49Å; D314-R337 VanDerWaalsContact O-CG 3.3Å; D314-R337 WeakPolarHBondContact O-CG 3.48Å; D314-R337 PolarHBondContact O-NE 3.05Å; H315-R337 PolarHBondContact O-NE 3.38Å; H315-R337 PolarHBondContact O-NH2 3.02Å; L316-R337 HydrophobicContact CB-CG 3.85Å; L316-R337 HydrophobicContact CD1-CG 4.3Å
338R96.3Very high94.4Very high164 Ų16467.8 Ų67.862%0.61931%0.312SS*.SBendtrans-129143.5-176.1-58.5177.8-168-103.6-5109.9E313 P336E313-R338 IonicContact OE1-NH2 3.13Å; E313-R338 IonicContact OE2-CZ 3.03Å; E313-R338 IonicContact OE2-NE 2.82Å; E313-R338 PolarHBondContact OE2-NE 3.39Å; E313-R338 IonicContact OE2-NH2 3.85Å; P336-R338 VanDerWaalsContact C-N 3.3Å; P336-R338 WeakPolarHBondContact CB-O 3.01Å
339A96.5Very high94.3Very high40 Ų4070 Ų7033%0.33132%0.321SS..  trans-67.3135.7167.600000109.7L343 F433A339-L343 HydrophobicContact CB-CD2 3.91Å; A339-F433 HydrophobicContact CB-CD1 4.25Å; A339-F433 HydrophobicContact CB-CE1 3.77Å; A339-F433 HydrophobicContact CB-CZ 4.35Å
340P94.1Very high94.1Very high55 Ų5572.2 Ų72.236%0.35733%0.33SS..  trans-67.2148.9172.829.6-33.4000110D342 L343P340-D342 WeakPolarHBondContact CB-OD1 3.42Å; P340-D342 PolarHBondContact O-N 3.21Å; P340-D342 VanDerWaalsContact O-N 3.16Å; P340-L343 HydrophobicContact CG-CB 3.98Å; P340-L343 HydrophobicContact CG-CD1 4.28Å; P340-L343 VanDerWaalsContact O-CB 3.31Å; P340-L343 WeakPolarHBondContact O-CB 3.4Å; P340-L343 PolarHBondContact O-N 3.03Å; P340-L343 VanDerWaalsContact O-N 3.15Å
341F93.9Very high93.8Very high203 Ų20370.3 Ų70.389%0.8933%0.327SS*.THydrogen-bonded Turntrans-62.2-24.9-176.867.6-90.1000113.1
342D93.7Very high93.7Very high30 Ų3071.3 Ų71.316%0.1633%0.332CS..THydrogen-bonded Turntrans-101.718.2-178.660.58.9000113.2P340 F344 E345 K348P340-D342 WeakPolarHBondContact CB-OD1 3.42Å; P340-D342 PolarHBondContact O-N 3.21Å; P340-D342 VanDerWaalsContact O-N 3.16Å; D342-F344 VanDerWaalsContact C-N 3.26Å; D342-F344 PolarHBondContact O-N 3.23Å; D342-F344 VanDerWaalsContact O-N 3.15Å; D342-E345 HydrophobicContact CB-CB 4.32Å; D342-E345 WeakPolarHBondContact O-CB 3.49Å; D342-E345 PolarHBondContact O-N 2.9Å; D342-E345 VanDerWaalsContact O-N 3.09Å; D342-K348 HydrophobicContact CB-CD 4.27Å; D342-K348 IonicContact OD1-NZ 2.95Å; D342-K348 PolarHBondContact OD1-NZ 2.55Å; D342-K348 WeakPolarHBondContact OD2-CD 3.39Å; D342-K348 WeakPolarHBondContact OD2-CE 3.42Å; D342-K348 IonicContact OD2-NZ 3.96Å; D342-K348 PolarHBondContact OD2-NZ 3.11Å
343L93.5Very high93.6Very high20 Ų2071.3 Ų71.311%0.10533%0.332CS..THydrogen-bonded Turntrans-52.5-38.6-175.5176.960.7000114A339 P340 F376 F433A339-L343 HydrophobicContact CB-CD2 3.91Å; P340-L343 HydrophobicContact CG-CB 3.98Å; P340-L343 HydrophobicContact CG-CD1 4.28Å; P340-L343 VanDerWaalsContact O-CB 3.31Å; P340-L343 WeakPolarHBondContact O-CB 3.4Å; P340-L343 PolarHBondContact O-N 3.03Å; P340-L343 VanDerWaalsContact O-N 3.15Å; L343-F376 HydrophobicContact CD1-CB 3.82Å; L343-F433 HydrophobicContact CD2-CD1 4.39Å
344F92.6Very high93.4Very high108 Ų10873.3 Ų73.347%0.47434%0.341SS..THydrogen-bonded Turntrans-106.320-177.2-61.2-70000113D342 N346 K435 N436D342-F344 VanDerWaalsContact C-N 3.26Å; D342-F344 PolarHBondContact O-N 3.23Å; D342-F344 VanDerWaalsContact O-N 3.15Å; F344-N346 PolarHBondContact O-N 3.3Å; F344-K435 HydrophobicContact CE2-CB 4.28Å; F344-K435 HydrophobicContact CE2-CD 4.06Å; F344-K435 HydrophobicContact CZ-CB 3.79Å; F344-K435 HydrophobicContact CZ-CD 4.39Å; F344-N436 WeakPolarHBondContact CE1-OD1 3.3Å; F344-N436 WeakPolarHBondContact CZ-OD1 3.08Å
345E91.8Very high93.1Very high107 Ų10773.3 Ų73.350%0.534%0.341SS..  trans-77.8100.5175.5-170.5-177.6160.300110.9D342 K347 K348D342-E345 HydrophobicContact CB-CB 4.32Å; D342-E345 WeakPolarHBondContact O-CB 3.49Å; D342-E345 PolarHBondContact O-N 2.9Å; D342-E345 VanDerWaalsContact O-N 3.09Å; E345-K347 PolarHBondContact O-N 2.67Å; E345-K348 HydrophobicContact CB-CB 4.23Å; E345-K348 HydrophobicContact CG-CB 4.41Å; E345-K348 WeakPolarHBondContact O-CB 3.49Å; E345-K348 PolarHBondContact O-N 3.27Å
346N83.4Confident92.9Very high153 Ų15373.3 Ų73.382%0.81834%0.341SS*.THydrogen-bonded Turntrans-59.3-23.3-174.6-68-22.4000115.2F344F344-N346 PolarHBondContact O-N 3.3Å
347K88.1Confident92.5Very high200 Ų20073.4 Ų73.487%0.8734%0.342SS*.THydrogen-bonded Turntrans-84.7-12.9-179.8-67.2-175.3179-178.60112.9E345E345-K347 PolarHBondContact O-N 2.67Å
348K88.4Confident92.1Very high75 Ų7571.6 Ų71.633%0.32634%0.335SS..SBendtrans-72.3133.4-175.7-177.4175.1169.9178.90110.7D342 E345 K350D342-K348 HydrophobicContact CB-CD 4.27Å; D342-K348 IonicContact OD1-NZ 2.95Å; D342-K348 PolarHBondContact OD1-NZ 2.55Å; D342-K348 WeakPolarHBondContact OD2-CD 3.39Å; D342-K348 WeakPolarHBondContact OD2-CE 3.42Å; D342-K348 IonicContact OD2-NZ 3.96Å; D342-K348 PolarHBondContact OD2-NZ 3.11Å; E345-K348 HydrophobicContact CB-CB 4.23Å; E345-K348 HydrophobicContact CG-CB 4.41Å; E345-K348 WeakPolarHBondContact O-CB 3.49Å; E345-K348 PolarHBondContact O-N 3.27Å; K348-K350 PolarHBondContact O-N 3.29Å
349K88.8Confident91.9Very high129 Ų12965.9 Ų65.956%0.56131%0.313SS*.  trans-62.3123.5171.8-172.9-171.1-179.8-160.20109.5N351 D364K349-N351 PolarHBondContact O-N 3.17Å; K349-D364 VanDerWaalsContact CE-OD1 3.24Å; K349-D364 WeakPolarHBondContact CE-OD1 3.5Å; K349-D364 IonicContact NZ-OD1 2.65Å; K349-D364 PolarHBondContact NZ-OD1 3.44Å; K349-D364 IonicContact NZ-OD2 3.84Å; K349-D364 PolarHBondContact NZ-OD2 2.88Å
350K90.9Very high91.5Very high48 Ų4864.1 Ų64.121%0.20930%0.298CS..  trans-80.6111.2177.5-50.9179.2-165.6155.60109.3K348 C366 D367 E372 N375K348-K350 PolarHBondContact O-N 3.29Å; K350-C366 HydrophobicContact CB-CB 3.66Å; K350-C366 PolarHBondContact O-N 2.93Å; K350-D367 VanDerWaalsContact CD-OD1 3.24Å; K350-D367 WeakPolarHBondContact CD-OD1 3.19Å; K350-D367 WeakPolarHBondContact CE-OD1 3.48Å; K350-D367 IonicContact NZ-OD1 3.73Å; K350-D367 PolarHBondContact NZ-OD1 3.03Å; K350-E372 WeakPolarHBondContact CE-OE2 3.36Å; K350-E372 IonicContact NZ-OE1 2.69Å; K350-E372 IonicContact NZ-OE2 3.84Å; K350-E372 PolarHBondContact NZ-OE2 3.4Å; K350-N375 WeakPolarHBondContact CD-ND2 3.42Å
351N92.1Very high91.4Very high54 Ų5462.1 Ų62.129%0.28928%0.284SS..  trans-135.723.9-17466-5.2000113.1K349 D364K349-N351 PolarHBondContact O-N 3.17Å; N351-D364 WeakPolarHBondContact CA-O 3.3Å; N351-D364 HydrophobicContact CB-CB 3.94Å; N351-D364 WeakPolarHBondContact CB-OD2 3.25Å
352N94.8Very high91.2Very high20 Ų2052.8 Ų52.811%0.10724%0.244CC..SBendtrans-69.6-40.4-172.5-75.8-38.6000113C366 N375 I377 R378 G379N352-C366 PolarHBondContact N-SG 3.35Å; N352-N375 PolarHBondContact ND2-O 3.06Å; N352-N375 PolarHBondContact ND2-OD1 3.14Å; N352-I377 WeakPolarHBondContact CB-O 3.49Å; N352-R378 WeakPolarHBondContact O-CA 3.45Å; N352-R378 WeakPolarHBondContact OD1-CD 3.47Å; N352-R378 PolarHBondContact OD1-NE 2.94Å; N352-G379 PolarHBondContact O-N 3.19Å
353I95.5Very high91Very high0 Ų052.5 Ų52.50%024%0.241CC..EExtended strand (participates in β ladder)trans-109123.8173.7-59.4-171.1000109.1L333 C366 I370 I377 G379 V381 I408L333-I353 HydrophobicContact CD2-CD1 3.75Å; I353-C366 PolarHBondContact N-SG 3.37Å; I353-C366 PolarHBondContact O-SG 3.47Å; I353-I370 HydrophobicContact CD1-CD1 4.31Å; I353-I370 HydrophobicContact CD1-CG2 3.51Å; I353-I370 HydrophobicContact CG1-CD1 4.4Å; I353-I377 HydrophobicContact CD1-CG2 4.45Å; I353-G379 WeakPolarHBondContact CA-O 3.32Å; I353-V381 HydrophobicContact CG2-CG2 3.71Å; I353-I408 HydrophobicContact CD1-CD1 4.49Å; I353-I408 HydrophobicContact CD1-CG2 4.35Å
354K93.4Very high90.6Very high43 Ų4352.7 Ų52.719%0.18724%0.242CC..EExtended strand (participates in β ladder)trans-101.8132.5178.6-65.3179.8-175.3175.60110Y356 F361 D364 G379 V381K354-Y356 HydrophobicContact CB-CD2 4.19Å; K354-Y356 HydrophobicContact CB-CE2 3.45Å; K354-Y356 VanDerWaalsContact CB-CE2 3.45Å; K354-Y356 HydrophobicContact CD-CE2 4.29Å; K354-F361 HydrophobicContact CB-CD2 4.29Å; K354-F361 HydrophobicContact CB-CE2 4Å; K354-F361 HydrophobicContact CD-CD2 4.49Å; K354-F361 HydrophobicContact CD-CE2 4.2Å; K354-F361 HydrophobicContact CG-CE2 4.04Å; K354-D364 HydrophobicContact CG-CB 4.27Å; K354-G379 PolarHBondContact N-O 3.02Å; K354-V381 PolarHBondContact O-N 3.24Å
355L93.7Very high89.8Confident0 Ų050 Ų500%024%0.237CC..EExtended strand (participates in β ladder)trans-95.5124.3175.9-17865.6000110I362 M363 L369 V381 L386 L401L355-I362 PolarHBondContact O-N 3.31Å; L355-M363 HydrophobicContact CB-CG 3.84Å; L355-M363 HydrophobicContact CD2-CE 4.34Å; L355-M363 HydrophobicContact CD2-CG 3.85Å; L355-M363 HydrophobicContact CD2-SD 4Å; L355-M363 HydrophobicContact CG-CG 4.41Å; L355-M363 PolarHBondContact N-O 3.39Å; L355-M363 PolarHBondContact O-N 2.69Å; L355-L369 HydrophobicContact CB-CD1 4.21Å; L355-V381 CarbonylContact C-O 3.58Å; L355-V381 WeakPolarHBondContact CA-O 3.21Å; L355-V381 HydrophobicContact CD1-CB 3.96Å; L355-V381 HydrophobicContact CD1-CG1 3.72Å; L355-L386 HydrophobicContact CD1-CD1 3.98Å; L355-L386 HydrophobicContact CD2-CD1 4Å; L355-L386 HydrophobicContact CG-CD1 4.33Å; L355-L401 HydrophobicContact CD2-CD2 3.97Å
356Y93.2Very high88.7Confident0 Ų044.9 Ų44.90%021%0.213CC..EExtended strand (participates in β ladder)trans-114.6150.3174.6-66.1-101.8000109.4F208 K354 V360 F361 V380 V381 D382 S383F208-Y356 AromaticContact CD2-CD1 3.98Å; F208-Y356 HydrophobicContact CD2-CD1 3.98Å; F208-Y356 AromaticContact CD2-CE1 3.45Å; F208-Y356 HydrophobicContact CD2-CE1 3.45Å; F208-Y356 VanDerWaalsContact CD2-CE1 3.45Å; F208-Y356 HydrophobicContact CD2-CE2 4.33Å; F208-Y356 AromaticContact CD2-CZ 3.66Å; F208-Y356 AromaticContact CE2-CE1 3.87Å; F208-Y356 HydrophobicContact CE2-CE1 3.87Å; F208-Y356 HydrophobicContact CE2-CE2 4.07Å; F208-Y356 AromaticContact CE2-CZ 3.54Å; F208-Y356 WeakPolarHBondContact CE2-OH 3.37Å; K354-Y356 HydrophobicContact CB-CD2 4.19Å; K354-Y356 HydrophobicContact CB-CE2 3.45Å; K354-Y356 VanDerWaalsContact CB-CE2 3.45Å; K354-Y356 HydrophobicContact CD-CE2 4.29Å; Y356-V360 CarbonylContact C-O 3.51Å; Y356-V360 WeakPolarHBondContact CA-O 3.14Å; Y356-V360 VanDerWaalsContact CD1-C 3.45Å; Y356-F361 VanDerWaalsContact CD1-CA 3.48Å; Y356-F361 HydrophobicContact CD1-CB 4.01Å; Y356-F361 VanDerWaalsContact CD1-N 3.32Å; Y356-F361 HydrophobicContact CE1-CB 3.57Å; Y356-F361 HydrophobicContact CE1-CD2 4.1Å; Y356-F361 HydrophobicContact CE1-CG 4.33Å; Y356-F361 HydrophobicContact CE2-CD2 4.24Å; Y356-F361 AromaticContact CZ-CD2 3.85Å; Y356-V380 HydrophobicContact CD2-CG1 3.58Å; Y356-V380 HydrophobicContact CE2-CG1 3.88Å; Y356-V380 HydrophobicContact CE2-CG2 4.22Å; Y356-V380 HydrophobicContact CG-CG1 4.45Å; Y356-V381 PolarHBondContact N-O 3.39Å; Y356-D382 WeakPolarHBondContact CB-OD1 3.31Å; Y356-D382 WeakPolarHBondContact O-CA 2.91Å; Y356-S383 PolarHBondContact O-N 3.18Å; Y356-S383 VanDerWaalsContact O-N 3.14Å
357V91.1Very high88.6Confident10 Ų1042 Ų426%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-128.8120.9168.7174.10000107.7R359 V360 I362 S383 L386 L388V357-R359 PolarHBondContact O-N 2.92Å; V357-V360 PolarHBondContact N-O 3.16Å; V357-V360 WeakPolarHBondContact O-CB 3.21Å; V357-V360 PolarHBondContact O-N 3.15Å; V357-I362 HydrophobicContact CB-CD1 4.17Å; V357-I362 HydrophobicContact CB-CG1 3.83Å; V357-I362 HydrophobicContact CG2-CD1 4.49Å; V357-I362 HydrophobicContact CG2-CG1 3.73Å; V357-S383 CarbonylContact C-O 3.41Å; V357-S383 WeakPolarHBondContact CA-O 3.48Å; V357-L386 HydrophobicContact CG1-CB 4.49Å; V357-L386 HydrophobicContact CG2-CB 3.7Å; V357-L386 HydrophobicContact CG2-CD1 3.69Å; V357-L386 HydrophobicContact CG2-CG 4.05Å; V357-L388 HydrophobicContact CB-CD1 4.14Å; V357-L388 HydrophobicContact CG1-CD1 4.04Å; V357-L388 HydrophobicContact CG1-CG 4.47Å; V357-L388 HydrophobicContact CG2-CD1 4.46Å; V357-L388 HydrophobicContact CG2-CD2 4.03Å; V357-L388 HydrophobicContact CG2-CG 4.48Å
358R89Confident88.5Confident44 Ų4436.2 Ų36.217%0.16617%0.174CC..THydrogen-bonded Turntrans51.544.1-174-53.4-173.8175.1-101.8-3.3111.2S124 M125 I126 V360 D382 S383 E384S124-R358 VanDerWaalsContact CA-NH1 3.27Å; S124-R358 VanDerWaalsContact OG-CD 3.29Å; S124-R358 WeakPolarHBondContact OG-CD 3.44Å; S124-R358 WeakPolarHBondContact OG-CG 3.42Å; S124-R358 PolarHBondContact OG-NH1 3.43Å; M125-R358 WeakPolarHBondContact O-CD 3.48Å; M125-R358 PolarHBondContact O-NE 2.61Å; I126-R358 HydrophobicContact CG1-CB 3.97Å; R358-V360 PolarHBondContact O-N 2.97Å; R358-V360 VanDerWaalsContact O-N 3.16Å; R358-D382 PolarHBondContact N-OD1 2.65Å; R358-S383 PolarHBondContact N-O 3.4Å; R358-E384 WeakPolarHBondContact CG-OE2 3.37Å; R358-E384 PolarHBondContact NE-O 3.33Å; R358-E384 IonicContact NH1-OE2 3.64Å; R358-E384 PolarHBondContact NH2-O 3.23Å
359R90.7Very high88.7Confident44 Ų4432.6 Ų32.617%0.16616%0.158CC..THydrogen-bonded Turntrans64.49.1-177.9-51.8173.2-69.4-80.12.5115.8F208 W289 V357 D382 E384F208-R359 HydrophobicContact CB-CB 4.03Å; F208-R359 WeakPolarHBondContact O-CB 3.34Å; F208-R359 WeakPolarHBondContact O-CD 3.46Å; W289-R359 HydrophobicContact CZ2-CG 4.31Å; V357-R359 PolarHBondContact O-N 2.92Å; R359-D382 WeakPolarHBondContact CG-OD2 3.45Å; R359-D382 PolarHBondContact N-OD1 3.49Å; R359-D382 PolarHBondContact N-OD2 3.18Å; R359-E384 IonicContact NH1-OE1 3.18Å
360V89.4Confident88.9Confident3 Ų326.8 Ų26.82%0.01813%0.133CC..EExtended strand (participates in β ladder)trans-98.3132.1173.2-178.60000109.9R41 I126 I209 Y356 V357 R358 I362R41-V360 HydrophobicContact CG-CG1 3.97Å; I126-V360 HydrophobicContact CD1-CG2 3.42Å; I126-V360 VanDerWaalsContact CD1-CG2 3.42Å; I126-V360 HydrophobicContact CG1-CG2 3.95Å; I126-V360 HydrophobicContact CG2-CG2 4.17Å; I209-V360 HydrophobicContact CD1-CG2 4.14Å; Y356-V360 CarbonylContact C-O 3.51Å; Y356-V360 WeakPolarHBondContact CA-O 3.14Å; Y356-V360 VanDerWaalsContact CD1-C 3.45Å; V357-V360 PolarHBondContact N-O 3.16Å; V357-V360 WeakPolarHBondContact O-CB 3.21Å; V357-V360 PolarHBondContact O-N 3.15Å; R358-V360 PolarHBondContact O-N 2.97Å; R358-V360 VanDerWaalsContact O-N 3.16Å; V360-I362 PolarHBondContact O-N 2.74Å
361F91.9Very high89.1Confident13 Ų1325.7 Ų25.76%0.05713%0.131CC..EExtended strand (participates in β ladder)trans-66.1130.5179.1178-106000111.1K204 H205 K354 Y356 M363 D364K204-F361 HydrophobicContact CG-CD1 4.27Å; K204-F361 HydrophobicContact CG-CE1 4.36Å; K204-F361 VanDerWaalsContact O-CB 3.29Å; K204-F361 WeakPolarHBondContact O-CB 3.44Å; K204-F361 WeakPolarHBondContact O-CG 3.43Å; H205-F361 AromaticContact ND1-CD1 3.77Å; H205-F361 PolarHBondContact O-N 2.86Å; K354-F361 HydrophobicContact CB-CD2 4.29Å; K354-F361 HydrophobicContact CB-CE2 4Å; K354-F361 HydrophobicContact CD-CD2 4.49Å; K354-F361 HydrophobicContact CD-CE2 4.2Å; K354-F361 HydrophobicContact CG-CE2 4.04Å; Y356-F361 VanDerWaalsContact CD1-CA 3.48Å; Y356-F361 HydrophobicContact CD1-CB 4.01Å; Y356-F361 VanDerWaalsContact CD1-N 3.32Å; Y356-F361 HydrophobicContact CE1-CB 3.57Å; Y356-F361 HydrophobicContact CE1-CD2 4.1Å; Y356-F361 HydrophobicContact CE1-CG 4.33Å; Y356-F361 HydrophobicContact CE2-CD2 4.24Å; Y356-F361 AromaticContact CZ-CD2 3.85Å; F361-M363 WeakPolarHBondContact CE2-O 3.46Å; F361-D364 HydrophobicContact CE2-CB 4.03Å; F361-D364 HydrophobicContact CZ-CB 3.85Å
362I90.3Very high89.3Confident8 Ų826 Ų264%0.04113%0.13CC..EExtended strand (participates in β ladder)trans-111.6-57.3179.4-56-55.6000110.4L355 V357 V360 L388 R392L355-I362 PolarHBondContact O-N 3.31Å; V357-I362 HydrophobicContact CB-CD1 4.17Å; V357-I362 HydrophobicContact CB-CG1 3.83Å; V357-I362 HydrophobicContact CG2-CD1 4.49Å; V357-I362 HydrophobicContact CG2-CG1 3.73Å; V360-I362 PolarHBondContact O-N 2.74Å; I362-L388 HydrophobicContact CB-CD2 4.48Å; I362-L388 HydrophobicContact CD1-CD1 3.59Å; I362-L388 HydrophobicContact CD1-CD2 4.01Å; I362-L388 HydrophobicContact CD1-CG 4.46Å; I362-L388 HydrophobicContact CG1-CD1 4.34Å; I362-L388 HydrophobicContact CG1-CD2 3.99Å; I362-L388 HydrophobicContact CG2-CD2 3.71Å; I362-R392 HydrophobicContact CD1-CB 4.49Å; I362-R392 WeakPolarHBondContact CD1-O 3.42Å
363M88.6Confident89.4Confident23 Ų2325.1 Ų25.111%0.11313%0.126CC..EExtended strand (participates in β ladder)trans-154.4159.6-175.866177.872.300111.9L355 F361 L395 L401L355-M363 HydrophobicContact CB-CG 3.84Å; L355-M363 HydrophobicContact CD2-CE 4.34Å; L355-M363 HydrophobicContact CD2-CG 3.85Å; L355-M363 HydrophobicContact CD2-SD 4Å; L355-M363 HydrophobicContact CG-CG 4.41Å; L355-M363 PolarHBondContact N-O 3.39Å; L355-M363 PolarHBondContact O-N 2.69Å; F361-M363 WeakPolarHBondContact CE2-O 3.46Å; M363-L395 HydrophobicContact CE-CB 3.88Å; M363-L395 VanDerWaalsContact CE-N 3.26Å; M363-L401 HydrophobicContact SD-CD1 4.28Å; M363-L401 HydrophobicContact SD-CD2 4.46Å
364D85.5Confident89.5Confident24 Ų2425.1 Ų25.113%0.12813%0.126CC..  trans-12312.7173.859.7-8.2000112.1K349 N351 K354 F361 C366K349-D364 VanDerWaalsContact CE-OD1 3.24Å; K349-D364 WeakPolarHBondContact CE-OD1 3.5Å; K349-D364 IonicContact NZ-OD1 2.65Å; K349-D364 PolarHBondContact NZ-OD1 3.44Å; K349-D364 IonicContact NZ-OD2 3.84Å; K349-D364 PolarHBondContact NZ-OD2 2.88Å; N351-D364 WeakPolarHBondContact CA-O 3.3Å; N351-D364 HydrophobicContact CB-CB 3.94Å; N351-D364 WeakPolarHBondContact CB-OD2 3.25Å; K354-D364 HydrophobicContact CG-CB 4.27Å; F361-D364 HydrophobicContact CE2-CB 4.03Å; F361-D364 HydrophobicContact CZ-CB 3.85Å; D364-C366 PolarHBondContact O-N 3.1Å; D364-C366 PolarHBondContact O-SG 3.06Å; D364-C366 VanDerWaalsContact O-SG 3.34Å
365S75.7Confident89.6Confident51 Ų5123.9 Ų23.936%0.35712%0.121SC..  trans-6893.3-177.7-175.30000111.4D367S365-D367 VanDerWaalsContact C-N 3.27Å; S365-D367 PolarHBondContact O-N 3.23Å
366C68.7Low89.7Confident1 Ų124 Ų241%0.00712%0.122CC..Hα-helixtrans-72.1-18.9-176.7-670000113.5K350 N352 I353 D364 E368 L369 I370K350-C366 HydrophobicContact CB-CB 3.66Å; K350-C366 PolarHBondContact O-N 2.93Å; N352-C366 PolarHBondContact N-SG 3.35Å; I353-C366 PolarHBondContact N-SG 3.37Å; I353-C366 PolarHBondContact O-SG 3.47Å; D364-C366 PolarHBondContact O-N 3.1Å; D364-C366 PolarHBondContact O-SG 3.06Å; D364-C366 VanDerWaalsContact O-SG 3.34Å; C366-E368 PolarHBondContact O-N 3.47Å; C366-E368 VanDerWaalsContact O-N 3.15Å; C366-L369 PolarHBondContact O-N 2.57Å; C366-L369 VanDerWaalsContact O-N 3.12Å; C366-I370 HydrophobicContact CB-CD1 4.09Å; C366-I370 HydrophobicContact CB-CG1 3.87Å; C366-I370 WeakPolarHBondContact O-CG1 3.45Å; C366-I370 PolarHBondContact O-N 3.02Å
367D81.9Confident90Very high93 Ų9324.1 Ų24.150%0.49712%0.123SC..Hα-helixtrans-54.3-36.4-175.9-70.6-47000113.3K350 S365K350-D367 VanDerWaalsContact CD-OD1 3.24Å; K350-D367 WeakPolarHBondContact CD-OD1 3.19Å; K350-D367 WeakPolarHBondContact CE-OD1 3.48Å; K350-D367 IonicContact NZ-OD1 3.73Å; K350-D367 PolarHBondContact NZ-OD1 3.03Å; S365-D367 VanDerWaalsContact C-N 3.27Å; S365-D367 PolarHBondContact O-N 3.23Å
368E86Confident90.3Very high77 Ų7726.1 Ų26.136%0.3613%0.129SC..Hα-helixtrans-95.4-28.1176.9-66.9-159.6172.800113.6C366 S398 L401 R405C366-E368 PolarHBondContact O-N 3.47Å; C366-E368 VanDerWaalsContact O-N 3.15Å; E368-S398 WeakPolarHBondContact OE2-CB 3.46Å; E368-L401 HydrophobicContact CB-CB 4.21Å; E368-L401 HydrophobicContact CB-CD1 4.1Å; E368-L401 VanDerWaalsContact OE2-CD1 3.31Å; E368-L401 WeakPolarHBondContact OE2-CD1 3.34Å; E368-R405 WeakPolarHBondContact O-CD 3.24Å
369L90.6Very high90.6Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-77.2-33.8-175.3-79170000113.2L355 C366 L401 I404 R405L355-L369 HydrophobicContact CB-CD1 4.21Å; C366-L369 PolarHBondContact O-N 2.57Å; C366-L369 VanDerWaalsContact O-N 3.12Å; L369-L401 HydrophobicContact CD2-CD2 3.67Å; L369-L401 HydrophobicContact CG-CD2 4.22Å; L369-I404 HydrophobicContact CD2-CB 4.35Å; L369-I404 HydrophobicContact CD2-CG2 3.81Å; L369-R405 WeakPolarHBondContact O-CA 3.19Å; L369-R405 WeakPolarHBondContact O-CB 3.19Å; L369-R405 VanDerWaalsContact O-CG 3.3Å; L369-R405 WeakPolarHBondContact O-CG 3.33Å
370I94.6Very high90.9Very high6 Ų622 Ų223%0.03111%0.113CC..SBendtrans-138.3150.5-179.353.7172000111.3I353 C366 I408I353-I370 HydrophobicContact CD1-CD1 4.31Å; I353-I370 HydrophobicContact CD1-CG2 3.51Å; I353-I370 HydrophobicContact CG1-CD1 4.4Å; C366-I370 HydrophobicContact CB-CD1 4.09Å; C366-I370 HydrophobicContact CB-CG1 3.87Å; C366-I370 WeakPolarHBondContact O-CG1 3.45Å; C366-I370 PolarHBondContact O-N 3.02Å; I370-I408 HydrophobicContact CG2-CG2 3.81Å
371P95.4Very high91.2Very high26 Ų2621.8 Ų21.817%0.16911%0.112CC..  trans-71.6155.8169.632.8-36000111.1Y373 L374 V409P371-Y373 VanDerWaalsContact C-N 3.28Å; P371-Y373 HydrophobicContact CB-CD1 3.61Å; P371-Y373 HydrophobicContact CB-CE1 3.42Å; P371-Y373 VanDerWaalsContact CB-CE1 3.42Å; P371-Y373 HydrophobicContact CG-CD1 3.79Å; P371-Y373 HydrophobicContact CG-CE1 3.3Å; P371-Y373 HydrophobicContact CG-CE2 4.46Å; P371-Y373 PolarHBondContact O-N 3.44Å; P371-L374 HydrophobicContact CG-CB 4.21Å; P371-L374 HydrophobicContact CG-CD1 3.82Å; P371-L374 HydrophobicContact CG-CG 3.91Å; P371-L374 PolarHBondContact O-N 3.34Å; P371-V409 HydrophobicContact CG-CG2 3.74Å
372E94.8Very high91.4Very high59 Ų5921.5 Ų21.528%0.27611%0.111SC..G310 helixtrans-57-40.8-175-168.958.2-146.900112.8K350 L374 N375 L439K350-E372 WeakPolarHBondContact CE-OE2 3.36Å; K350-E372 IonicContact NZ-OE1 2.69Å; K350-E372 IonicContact NZ-OE2 3.84Å; K350-E372 PolarHBondContact NZ-OE2 3.4Å; E372-L374 PolarHBondContact O-N 3.3Å; E372-N375 WeakPolarHBondContact O-CB 3.49Å; E372-N375 PolarHBondContact O-N 3.04Å; E372-N375 PolarHBondContact OE1-ND2 3.02Å; E372-L439 HydrophobicContact CG-CD2 4.44Å
373Y97Very high91.5Very high2 Ų221.1 Ų21.11%0.00811%0.109CC..G310 helixtrans-64.3-1017977-94.4000114.6P371 F376 N436 D444 L451P371-Y373 VanDerWaalsContact C-N 3.28Å; P371-Y373 HydrophobicContact CB-CD1 3.61Å; P371-Y373 HydrophobicContact CB-CE1 3.42Å; P371-Y373 VanDerWaalsContact CB-CE1 3.42Å; P371-Y373 HydrophobicContact CG-CD1 3.79Å; P371-Y373 HydrophobicContact CG-CE1 3.3Å; P371-Y373 HydrophobicContact CG-CE2 4.46Å; P371-Y373 PolarHBondContact O-N 3.44Å; Y373-F376 WeakPolarHBondContact O-CE1 3.08Å; Y373-N436 WeakPolarHBondContact CB-O 3.5Å; Y373-N436 WeakPolarHBondContact O-CB 3.32Å; Y373-D444 HydrophobicContact CD1-CB 4.44Å; Y373-D444 HydrophobicContact CE1-CB 3.68Å; Y373-D444 PolarHBondContact OH-OD2 3.3Å; Y373-L451 HydrophobicContact CE2-CD1 4.19Å; Y373-L451 HydrophobicContact CE2-CD2 4.13Å
374L97.6Very high91.4Very high0 Ų022.6 Ų22.60%012%0.116CC..G310 helixtrans-106.39.2173.1-62.7-177000113P371 E372 F376 I377 V409 C412 F416P371-L374 HydrophobicContact CG-CB 4.21Å; P371-L374 HydrophobicContact CG-CD1 3.82Å; P371-L374 HydrophobicContact CG-CG 3.91Å; P371-L374 PolarHBondContact O-N 3.34Å; E372-L374 PolarHBondContact O-N 3.3Å; L374-F376 HydrophobicContact CD2-CE1 4.28Å; L374-F376 PolarHBondContact O-N 3.35Å; L374-I377 HydrophobicContact CB-CD1 4.25Å; L374-I377 HydrophobicContact CD2-CD1 4.04Å; L374-I377 PolarHBondContact O-N 3.43Å; L374-V409 HydrophobicContact CD1-CB 4.48Å; L374-V409 HydrophobicContact CD1-CG2 3.94Å; L374-C412 HydrophobicContact CD1-CB 3.99Å; L374-F416 HydrophobicContact CD2-CE2 3.68Å; L374-F416 HydrophobicContact CD2-CZ 3.71Å
375N96.1Very high91.3Very high17 Ų1725 Ų259%0.09113%0.129CC..THydrogen-bonded Turntrans-71.631.9-176.9-168.327.2000114.4K350 N352 E372K350-N375 WeakPolarHBondContact CD-ND2 3.42Å; N352-N375 PolarHBondContact ND2-O 3.06Å; N352-N375 PolarHBondContact ND2-OD1 3.14Å; E372-N375 WeakPolarHBondContact O-CB 3.49Å; E372-N375 PolarHBondContact O-N 3.04Å; E372-N375 PolarHBondContact OE1-ND2 3.02Å
376F96.6Very high91.8Very high4 Ų423.2 Ų23.22%0.01812%0.115CC..THydrogen-bonded Turntrans-122.5-17.2168.664.8-85.6000111.9I335 P336 L343 Y373 L374 R378 F416 F429 F433 N436I335-F376 HydrophobicContact CG2-CE2 4.26Å; P336-F376 WeakPolarHBondContact CD-O 3.48Å; P336-F376 WeakPolarHBondContact CG-O 3.33Å; L343-F376 HydrophobicContact CD1-CB 3.82Å; Y373-F376 WeakPolarHBondContact O-CE1 3.08Å; L374-F376 HydrophobicContact CD2-CE1 4.28Å; L374-F376 PolarHBondContact O-N 3.35Å; F376-R378 PolarHBondContact O-N 3.38Å; F376-F416 HydrophobicContact CE2-CE1 4.44Å; F376-F416 HydrophobicContact CE2-CZ 4.44Å; F376-F416 HydrophobicContact CZ-CE1 4.08Å; F376-F416 AromaticContact CZ-CZ 3.69Å; F376-F416 HydrophobicContact CZ-CZ 3.69Å; F376-F429 AromaticContact CE2-CE2 3.94Å; F376-F429 HydrophobicContact CE2-CE2 3.94Å; F376-F429 HydrophobicContact CZ-CE2 4.03Å; F376-F429 HydrophobicContact CZ-CZ 4.4Å; F376-F433 HydrophobicContact CB-CD1 3.93Å; F376-F433 HydrophobicContact CB-CE1 3.57Å; F376-F433 HydrophobicContact CB-CZ 4.4Å; F376-F433 HydrophobicContact CD1-CD1 4.17Å; F376-F433 AromaticContact CD2-CD1 3.65Å; F376-F433 HydrophobicContact CD2-CD1 3.65Å; F376-F433 HydrophobicContact CD2-CD2 4.21Å; F376-F433 AromaticContact CD2-CE1 3.58Å; F376-F433 HydrophobicContact CD2-CE1 3.58Å; F376-F433 HydrophobicContact CD2-CE2 4.16Å; F376-F433 AromaticContact CD2-CG 3.96Å; F376-F433 HydrophobicContact CD2-CG 3.96Å; F376-F433 AromaticContact CD2-CZ 3.85Å; F376-F433 HydrophobicContact CD2-CZ 3.85Å; F376-F433 HydrophobicContact CE2-CB 4.46Å; F376-F433 HydrophobicContact CE2-CD1 4.15Å; F376-F433 HydrophobicContact CE2-CD2 4.15Å; F376-F433 HydrophobicContact CE2-CE1 4.41Å; F376-F433 HydrophobicContact CE2-CE2 4.43Å; F376-F433 AromaticContact CE2-CG 3.99Å; F376-F433 HydrophobicContact CE2-CG 3.99Å; F376-F433 AromaticContact CG-CD1 3.65Å; F376-F433 HydrophobicContact CG-CD1 3.65Å; F376-F433 AromaticContact CG-CE1 3.69Å; F376-F433 HydrophobicContact CG-CE1 3.69Å; F376-F433 HydrophobicContact CG-CG 4.31Å; F376-F433 HydrophobicContact CG-CZ 4.39Å; F376-F433 HydrophobicContact CZ-CB 4.34Å; F376-F433 HydrophobicContact CZ-CG 4.33Å; F376-N436 HydrophobicContact CD1-CB 4.06Å; F376-N436 WeakPolarHBondContact CD1-ND2 3.13Å; F376-N436 HydrophobicContact CE1-CB 3.83Å
377I97.6Very high92.6Very high2 Ų225.3 Ų25.31%0.0113%0.129CC..  trans-72.5121.4179.5-63.8-178.3000108.6L333 F334 N352 I353 L374 C412 F416L333-I377 HydrophobicContact CB-CG2 3.92Å; L333-I377 HydrophobicContact CD2-CG2 4.17Å; F334-I377 WeakPolarHBondContact O-CA 3.43Å; N352-I377 WeakPolarHBondContact CB-O 3.49Å; I353-I377 HydrophobicContact CD1-CG2 4.45Å; L374-I377 HydrophobicContact CB-CD1 4.25Å; L374-I377 HydrophobicContact CD2-CD1 4.04Å; L374-I377 PolarHBondContact O-N 3.43Å; I377-C412 HydrophobicContact CD1-CB 3.81Å; I377-C412 WeakPolarHBondContact CD1-SG 3.49Å; I377-F416 HydrophobicContact CD1-CE1 4.32Å; I377-F416 HydrophobicContact CD1-CZ 3.95Å
378R97.3Very high92.8Very high52 Ų5221.6 Ų21.620%0.19611%0.109CC..EExtended strand (participates in β ladder)trans-92.8147.6176.3-55.7-60-65.4-83.43109.3Y305 T309 L333 F334 P336 N352 F376Y305-R378 HydrophobicContact CE2-CB 4.46Å; T309-R378 HydrophobicContact CG2-CB 3.95Å; T309-R378 HydrophobicContact CG2-CG 3.97Å; L333-R378 CarbonylContact C-O 3.11Å; F334-R378 HydrophobicContact CB-CB 4.42Å; F334-R378 PolarHBondContact N-O 3.31Å; F334-R378 PolarHBondContact O-N 2.95Å; P336-R378 HydrophobicContact CG-CG 4.08Å; N352-R378 WeakPolarHBondContact O-CA 3.45Å; N352-R378 WeakPolarHBondContact OD1-CD 3.47Å; N352-R378 PolarHBondContact OD1-NE 2.94Å; F376-R378 PolarHBondContact O-N 3.38Å
379G96.8Very high92.7Very high0 Ų019.6 Ų19.60%010%0.101CC..EExtended strand (participates in β ladder)trans178.5179.4179.200000116.5L332 N352 I353 K354L332-G379 CarbonylContact O-C 3.6Å; L332-G379 WeakPolarHBondContact O-CA 3.37Å; N352-G379 PolarHBondContact O-N 3.19Å; I353-G379 WeakPolarHBondContact CA-O 3.32Å; K354-G379 PolarHBondContact N-O 3.02Å
380V96.4Very high92.4Very high0 Ų022.6 Ų22.60%012%0.116CC..EExtended strand (participates in β ladder)trans-129.3135.1176.1174.90000108W289 F304 L308 A331 L332 Y356W289-V380 HydrophobicContact CD2-CG1 4.31Å; W289-V380 HydrophobicContact CE3-CB 4.37Å; W289-V380 HydrophobicContact CE3-CG1 3.97Å; W289-V380 HydrophobicContact CH2-CG1 3.75Å; W289-V380 HydrophobicContact CZ2-CG1 4.12Å; W289-V380 HydrophobicContact CZ3-CB 4.22Å; W289-V380 HydrophobicContact CZ3-CG1 3.7Å; W289-V380 HydrophobicContact CZ3-CG2 4.33Å; F304-V380 HydrophobicContact CE1-CG2 4.5Å; F304-V380 HydrophobicContact CZ-CG2 4.11Å; L308-V380 HydrophobicContact CD1-CG2 3.84Å; L308-V380 HydrophobicContact CD2-CG2 4.02Å; A331-V380 WeakPolarHBondContact CA-O 3.22Å; A331-V380 WeakPolarHBondContact CB-O 3.31Å; L332-V380 PolarHBondContact N-O 3.45Å; L332-V380 PolarHBondContact O-N 3.16Å; Y356-V380 HydrophobicContact CD2-CG1 3.58Å; Y356-V380 HydrophobicContact CE2-CG1 3.88Å; Y356-V380 HydrophobicContact CE2-CG2 4.22Å; Y356-V380 HydrophobicContact CG-CG1 4.45Å
381V96.2Very high91.9Very high0 Ų022.8 Ų22.80%012%0.118CC..EExtended strand (participates in β ladder)trans-118.9121.8167.8178.40000106.3F329 A331 I353 K354 L355 Y356 I404 I408F329-V381 HydrophobicContact CB-CG1 4.41Å; F329-V381 HydrophobicContact CD2-CG1 3.75Å; F329-V381 HydrophobicContact CE2-CG1 4.32Å; F329-V381 HydrophobicContact CG-CG1 4.29Å; A331-V381 HydrophobicContact CB-CG2 4.07Å; I353-V381 HydrophobicContact CG2-CG2 3.71Å; K354-V381 PolarHBondContact O-N 3.24Å; L355-V381 CarbonylContact C-O 3.58Å; L355-V381 WeakPolarHBondContact CA-O 3.21Å; L355-V381 HydrophobicContact CD1-CB 3.96Å; L355-V381 HydrophobicContact CD1-CG1 3.72Å; Y356-V381 PolarHBondContact N-O 3.39Å; V381-I404 HydrophobicContact CG1-CG2 4.21Å; V381-I408 HydrophobicContact CG2-CD1 3.82Å
382D95.2Very high91.4Very high6 Ų622.5 Ų22.53%0.03211%0.113CC..EExtended strand (participates in β ladder)trans-122.9130.2176.8-170.629000109.6W289 F329 R330 Y356 R358 R359W289-D382 HydrophobicContact CZ2-CB 4.06Å; W289-D382 PolarHBondContact NE1-OD2 3.39Å; F329-D382 CarbonylContact C-O 3.59Å; F329-D382 VanDerWaalsContact CA-O 3.26Å; F329-D382 WeakPolarHBondContact CA-O 3.27Å; F329-D382 VanDerWaalsContact CB-O 3.29Å; F329-D382 WeakPolarHBondContact CB-O 3.27Å; R330-D382 PolarHBondContact N-O 2.87Å; R330-D382 PolarHBondContact O-N 3.29Å; Y356-D382 WeakPolarHBondContact CB-OD1 3.31Å; Y356-D382 WeakPolarHBondContact O-CA 2.91Å; R358-D382 PolarHBondContact N-OD1 2.65Å; R359-D382 WeakPolarHBondContact CG-OD2 3.45Å; R359-D382 PolarHBondContact N-OD1 3.49Å; R359-D382 PolarHBondContact N-OD2 3.18Å
383S92.5Very high90.9Very high1 Ų121.6 Ų21.61%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-128.2149.1-178.71780000110.4E328 Y356 V357 R358 D385 L386E328-S383 WeakPolarHBondContact O-CB 3.28Å; E328-S383 PolarHBondContact O-OG 3.11Å; Y356-S383 PolarHBondContact O-N 3.18Å; Y356-S383 VanDerWaalsContact O-N 3.14Å; V357-S383 CarbonylContact C-O 3.41Å; V357-S383 WeakPolarHBondContact CA-O 3.48Å; R358-S383 PolarHBondContact N-O 3.4Å; S383-D385 PolarHBondContact OG-OD1 2.9Å; S383-L386 WeakPolarHBondContact OG-CG 3.46Å
384E86.1Confident90.2Very high54 Ų5427.3 Ų27.325%0.25214%0.137SC..SBendtrans-93.6-20.2-177.6-64.4-69.1161.600112.1S124 R358 R359S124-E384 VanDerWaalsContact CB-OE2 3.3Å; S124-E384 WeakPolarHBondContact CB-OE2 3.33Å; S124-E384 PolarHBondContact OG-OE2 2.89Å; R358-E384 WeakPolarHBondContact CG-OE2 3.37Å; R358-E384 PolarHBondContact NE-O 3.33Å; R358-E384 IonicContact NH1-OE2 3.64Å; R358-E384 PolarHBondContact NH2-O 3.23Å; R359-E384 IonicContact NH1-OE1 3.18Å
385D83.6Confident89.6Confident75 Ų7528.1 Ų28.140%0.40114%0.142SC..SBendtrans-130.618.2-161.569.1-20.2000115.4S383S383-D385 PolarHBondContact OG-OD1 2.9Å
386L86.5Confident88.9Confident13 Ų1333.2 Ų33.27%0.06817%0.165CC..  trans-69.9134.3179.9-72.7-172.7000113.9L327 L355 V357 S383 L388 L395 I400 I404L327-L386 HydrophobicContact CD1-CD2 3.5Å; L327-L386 VanDerWaalsContact CD1-CD2 3.5Å; L355-L386 HydrophobicContact CD1-CD1 3.98Å; L355-L386 HydrophobicContact CD2-CD1 4Å; L355-L386 HydrophobicContact CG-CD1 4.33Å; V357-L386 HydrophobicContact CG1-CB 4.49Å; V357-L386 HydrophobicContact CG2-CB 3.7Å; V357-L386 HydrophobicContact CG2-CD1 3.69Å; V357-L386 HydrophobicContact CG2-CG 4.05Å; S383-L386 WeakPolarHBondContact OG-CG 3.46Å; L386-L388 PolarHBondContact O-N 2.86Å; L386-L395 HydrophobicContact CB-CD1 3.71Å; L386-L395 HydrophobicContact CD1-CD1 4.18Å; L386-L395 HydrophobicContact CD2-CD1 4.25Å; L386-L395 HydrophobicContact CG-CD1 4.25Å; L386-I400 HydrophobicContact CD2-CD1 4.48Å; L386-I400 HydrophobicContact CD2-CG2 3.53Å; L386-I404 HydrophobicContact CD1-CD1 4.5Å
387P85.3Confident88.1Confident45 Ų4538.2 Ų38.229%0.29219%0.188SC..  trans-75.991.6175.630.5-35.5000111.8L395 Q396 I400P387-L395 HydrophobicContact CG-CD1 4.27Å; P387-L395 VanDerWaalsContact O-CD1 3.32Å; P387-L395 WeakPolarHBondContact O-CD1 3.39Å; P387-Q396 WeakPolarHBondContact O-CG 3.45Å; P387-Q396 PolarHBondContact O-N 3.25Å; P387-I400 HydrophobicContact CG-CD1 3.47Å; P387-I400 VanDerWaalsContact CG-CD1 3.47Å
388L85.7Confident87.3Confident14 Ų1440.8 Ų40.87%0.07321%0.206CC..BIsolated β-bridgetrans-75.4149.5178-62.4179.5000112.8V357 I362 L386 R392 L395 Q396V357-L388 HydrophobicContact CB-CD1 4.14Å; V357-L388 HydrophobicContact CG1-CD1 4.04Å; V357-L388 HydrophobicContact CG1-CG 4.47Å; V357-L388 HydrophobicContact CG2-CD1 4.46Å; V357-L388 HydrophobicContact CG2-CD2 4.03Å; V357-L388 HydrophobicContact CG2-CG 4.48Å; I362-L388 HydrophobicContact CB-CD2 4.48Å; I362-L388 HydrophobicContact CD1-CD1 3.59Å; I362-L388 HydrophobicContact CD1-CD2 4.01Å; I362-L388 HydrophobicContact CD1-CG 4.46Å; I362-L388 HydrophobicContact CG1-CD1 4.34Å; I362-L388 HydrophobicContact CG1-CD2 3.99Å; I362-L388 HydrophobicContact CG2-CD2 3.71Å; L386-L388 PolarHBondContact O-N 2.86Å; L388-R392 HydrophobicContact CD1-CB 4.35Å; L388-R392 HydrophobicContact CD1-CG 4.3Å; L388-L395 HydrophobicContact CD2-CD1 4.37Å; L388-Q396 PolarHBondContact O-NE2 3.16Å
389N85.6Confident86.9Confident35 Ų3546 Ų4619%0.18723%0.23CC..  trans-71.2173168.876.8-19.5000111.3S391 R392 E393 M394 Q396N389-S391 PolarHBondContact ND2-OG 3.11Å; N389-S391 PolarHBondContact O-N 3.2Å; N389-S391 PolarHBondContact OD1-N 2.95Å; N389-S391 PolarHBondContact OD1-OG 2.97Å; N389-R392 PolarHBondContact O-N 3.34Å; N389-R392 VanDerWaalsContact O-N 3.09Å; N389-R392 WeakPolarHBondContact OD1-CA 3.09Å; N389-R392 PolarHBondContact OD1-N 3.4Å; N389-E393 PolarHBondContact OD1-N 3.42Å; N389-M394 WeakPolarHBondContact CB-O 3.32Å; N389-M394 PolarHBondContact N-O 3.45Å; N389-M394 PolarHBondContact OD1-N 3.33Å; N389-M394 PolarHBondContact OD1-O 3.2Å; N389-Q396 HydrophobicContact CB-CG 4.09Å
390I84.3Confident86.5Confident64 Ų6447.1 Ų47.133%0.32824%0.236SC..THydrogen-bonded Turntrans-61.9-30.9-178.1-164.164000113F32 F129 V131 R392F32-I390 HydrophobicContact CD2-CG1 3.69Å; F32-I390 HydrophobicContact CD2-CG2 4.31Å; F32-I390 HydrophobicContact CE2-CG1 3.75Å; F32-I390 HydrophobicContact CG-CG2 4.41Å; F129-I390 HydrophobicContact CB-CD1 4.18Å; F129-I390 HydrophobicContact CD1-CD1 3.9Å; F129-I390 HydrophobicContact CE1-CD1 4.44Å; F129-I390 HydrophobicContact CG-CD1 3.98Å; V131-I390 HydrophobicContact CG2-CD1 3.85Å; V131-I390 HydrophobicContact CG2-CG1 4.32Å; I390-R392 VanDerWaalsContact C-N 3.31Å
391S83.8Confident86.3Confident9 Ų947.7 Ų47.76%0.06324%0.239CC..THydrogen-bonded Turntrans-78.9-13.6178.776.60000113.6F32 R41 N389 E393F32-S391 VanDerWaalsContact O-CB 3.22Å; F32-S391 WeakPolarHBondContact O-CB 3.37Å; R41-S391 PolarHBondContact NH2-O 2.93Å; N389-S391 PolarHBondContact ND2-OG 3.11Å; N389-S391 PolarHBondContact O-N 3.2Å; N389-S391 PolarHBondContact OD1-N 2.95Å; N389-S391 PolarHBondContact OD1-OG 2.97Å; S391-E393 PolarHBondContact O-N 2.95Å; S391-E393 WeakPolarHBondContact OG-CB 3.32Å; S391-E393 PolarHBondContact OG-N 3.38Å
392R84.4Confident86Confident20 Ų2052.6 Ų52.68%0.07526%0.261CS..SBendtrans55.423.1-169.7-56.2175.8179.3-99.22.5114.5E42 I126 F129 I362 L388 N389 I390E42-R392 IonicContact OE2-NE 3.93Å; I126-R392 VanDerWaalsContact CG2-NH1 3.28Å; I126-R392 VanDerWaalsContact O-CZ 3.3Å; I126-R392 PolarHBondContact O-NH1 3.43Å; I126-R392 PolarHBondContact O-NH2 3.44Å; F129-R392 HydrophobicContact CE2-CG 4.01Å; I362-R392 HydrophobicContact CD1-CB 4.49Å; I362-R392 WeakPolarHBondContact CD1-O 3.42Å; L388-R392 HydrophobicContact CD1-CB 4.35Å; L388-R392 HydrophobicContact CD1-CG 4.3Å; N389-R392 PolarHBondContact O-N 3.34Å; N389-R392 VanDerWaalsContact O-N 3.09Å; N389-R392 WeakPolarHBondContact OD1-CA 3.09Å; N389-R392 PolarHBondContact OD1-N 3.4Å; I390-R392 VanDerWaalsContact C-N 3.31Å
393E84.2Confident85.9Confident40 Ų4055.8 Ų55.819%0.18728%0.28CS..SBendtrans-104.2-16.4176.8-59.1-177.1132.300111.9S34 I38 N389 S391S34-E393 PolarHBondContact OG-OE2 3.45Å; I38-E393 WeakPolarHBondContact CG2-OE1 3.4Å; N389-E393 PolarHBondContact OD1-N 3.42Å; S391-E393 PolarHBondContact O-N 2.95Å; S391-E393 WeakPolarHBondContact OG-CB 3.32Å; S391-E393 PolarHBondContact OG-N 3.38Å
394M83.2Confident86Confident122 Ų12255.7 Ų55.760%0.60128%0.279SS*.SBendtrans-136151-179-61.1-179.569.500111.8N389N389-M394 WeakPolarHBondContact CB-O 3.32Å; N389-M394 PolarHBondContact N-O 3.45Å; N389-M394 PolarHBondContact OD1-N 3.33Å; N389-M394 PolarHBondContact OD1-O 3.2Å
395L84.8Confident86.4Confident17 Ų1757 Ų579%0.08928%0.282CS..BIsolated β-bridgetrans-83.1135.7171.3-168.369.4000109.4M363 L386 P387 L388 Q397 I400 L401M363-L395 HydrophobicContact CE-CB 3.88Å; M363-L395 VanDerWaalsContact CE-N 3.26Å; L386-L395 HydrophobicContact CB-CD1 3.71Å; L386-L395 HydrophobicContact CD1-CD1 4.18Å; L386-L395 HydrophobicContact CD2-CD1 4.25Å; L386-L395 HydrophobicContact CG-CD1 4.25Å; P387-L395 HydrophobicContact CG-CD1 4.27Å; P387-L395 VanDerWaalsContact O-CD1 3.32Å; P387-L395 WeakPolarHBondContact O-CD1 3.39Å; L388-L395 HydrophobicContact CD2-CD1 4.37Å; L395-Q397 VanDerWaalsContact C-N 3.29Å; L395-Q397 PolarHBondContact O-N 3.41Å; L395-I400 HydrophobicContact CD2-CB 3.75Å; L395-I400 HydrophobicContact CD2-CD1 4.32Å; L395-I400 HydrophobicContact CD2-CG2 4.02Å; L395-L401 HydrophobicContact CD2-CD2 3.92Å; L395-L401 HydrophobicContact CD2-CG 3.86Å
396Q81.6Confident86.9Confident125 Ų12560.7 Ų60.758%0.58430%0.295SS*.SBendtrans-67.8-29.5-179.1-63.8-175.83.300113P387 L388 N389P387-Q396 WeakPolarHBondContact O-CG 3.45Å; P387-Q396 PolarHBondContact O-N 3.25Å; L388-Q396 PolarHBondContact O-NE2 3.16Å; N389-Q396 HydrophobicContact CB-CG 4.09Å
397Q80Confident87.4Confident109 Ų10962.3 Ų62.351%0.50930%0.303SS..  trans-12297.4-174.5-63-169.3-0.700112.4L395 K399 I400L395-Q397 VanDerWaalsContact C-N 3.29Å; L395-Q397 PolarHBondContact O-N 3.41Å; Q397-K399 PolarHBondContact O-N 3.45Å; Q397-I400 HydrophobicContact CB-CD1 4Å; Q397-I400 HydrophobicContact CB-CG1 4.2Å; Q397-I400 WeakPolarHBondContact O-CB 3.37Å; Q397-I400 PolarHBondContact O-N 3.48Å
398S80.2Confident88Confident55 Ų5560.2 Ų60.239%0.38529%0.289SS..Hα-helixtrans-59-19.2177.160.60000114.5E368 I400 L401 K402E368-S398 WeakPolarHBondContact OE2-CB 3.46Å; S398-I400 PolarHBondContact O-N 3.18Å; S398-L401 WeakPolarHBondContact O-CB 3.01Å; S398-L401 PolarHBondContact O-N 3.17Å; S398-K402 PolarHBondContact O-N 3.42Å
399K87.9Confident88.5Confident162 Ų16260 Ų6070%0.70429%0.289SS*.Hα-helixtrans-59.1-32.9173-69.8-176.7-178.3176.20112.6Q397 K402 V403Q397-K399 PolarHBondContact O-N 3.45Å; K399-K402 WeakPolarHBondContact O-CB 3.38Å; K399-K402 PolarHBondContact O-N 3.35Å; K399-V403 PolarHBondContact O-N 3.27Å
400I90Very high89.1Confident24 Ų2463.1 Ų63.112%0.12330%0.301CS..Hα-helixtrans-66.2-42.1178.4-63172.3000110.2L327 L386 P387 L395 Q397 S398 K402 V403 I404L327-I400 HydrophobicContact CD1-CG2 3.66Å; L327-I400 HydrophobicContact CD2-CG2 3.96Å; L327-I400 HydrophobicContact CG-CG2 4.46Å; L386-I400 HydrophobicContact CD2-CD1 4.48Å; L386-I400 HydrophobicContact CD2-CG2 3.53Å; P387-I400 HydrophobicContact CG-CD1 3.47Å; P387-I400 VanDerWaalsContact CG-CD1 3.47Å; L395-I400 HydrophobicContact CD2-CB 3.75Å; L395-I400 HydrophobicContact CD2-CD1 4.32Å; L395-I400 HydrophobicContact CD2-CG2 4.02Å; Q397-I400 HydrophobicContact CB-CD1 4Å; Q397-I400 HydrophobicContact CB-CG1 4.2Å; Q397-I400 WeakPolarHBondContact O-CB 3.37Å; Q397-I400 PolarHBondContact O-N 3.48Å; S398-I400 PolarHBondContact O-N 3.18Å; I400-K402 PolarHBondContact O-N 3.46Å; I400-V403 WeakPolarHBondContact O-CA 3.43Å; I400-V403 WeakPolarHBondContact O-CB 3.03Å; I400-V403 PolarHBondContact O-N 3.33Å; I400-I404 HydrophobicContact CG2-CD1 4.1Å; I400-I404 HydrophobicContact CG2-CG1 4.41Å; I400-I404 PolarHBondContact O-N 3.16Å
401L90.7Very high89.8Confident11 Ų1162.7 Ų62.76%0.05830%0.297CS..Hα-helixtrans-58.4-37.2176-61.4176.6000111.6L355 M363 E368 L369 L395 S398 V403 I404 R405L355-L401 HydrophobicContact CD2-CD2 3.97Å; M363-L401 HydrophobicContact SD-CD1 4.28Å; M363-L401 HydrophobicContact SD-CD2 4.46Å; E368-L401 HydrophobicContact CB-CB 4.21Å; E368-L401 HydrophobicContact CB-CD1 4.1Å; E368-L401 VanDerWaalsContact OE2-CD1 3.31Å; E368-L401 WeakPolarHBondContact OE2-CD1 3.34Å; L369-L401 HydrophobicContact CD2-CD2 3.67Å; L369-L401 HydrophobicContact CG-CD2 4.22Å; L395-L401 HydrophobicContact CD2-CD2 3.92Å; L395-L401 HydrophobicContact CD2-CG 3.86Å; S398-L401 WeakPolarHBondContact O-CB 3.01Å; S398-L401 PolarHBondContact O-N 3.17Å; L401-V403 VanDerWaalsContact C-N 3.32Å; L401-V403 PolarHBondContact O-N 3.18Å; L401-I404 HydrophobicContact CD2-CD1 4.49Å; L401-I404 PolarHBondContact O-N 3.32Å; L401-R405 WeakPolarHBondContact O-CB 3.3Å; L401-R405 PolarHBondContact O-N 3.32Å
402K90.9Very high90.5Very high104 Ų10462.3 Ų62.345%0.45229%0.294SS..Hα-helixtrans-64.6-32.7174.4-64.1179.5-178.4176.20113.3S398 K399 I400 K406S398-K402 PolarHBondContact O-N 3.42Å; K399-K402 WeakPolarHBondContact O-CB 3.38Å; K399-K402 PolarHBondContact O-N 3.35Å; I400-K402 PolarHBondContact O-N 3.46Å; K402-K406 WeakPolarHBondContact O-CG 3.19Å; K402-K406 PolarHBondContact O-N 3.34Å
403V92.9Very high91.1Very high72 Ų7261.5 Ų61.544%0.43629%0.291SS..Hα-helixtrans-72.6-47.1175.81780000110.1L327 K399 I400 L401 R405 K406 N407L327-V403 HydrophobicContact CD2-CB 4.26Å; L327-V403 HydrophobicContact CD2-CG1 3.97Å; K399-V403 PolarHBondContact O-N 3.27Å; I400-V403 WeakPolarHBondContact O-CA 3.43Å; I400-V403 WeakPolarHBondContact O-CB 3.03Å; I400-V403 PolarHBondContact O-N 3.33Å; L401-V403 VanDerWaalsContact C-N 3.32Å; L401-V403 PolarHBondContact O-N 3.18Å; V403-R405 VanDerWaalsContact C-N 3.3Å; V403-R405 PolarHBondContact O-N 3.44Å; V403-K406 PolarHBondContact O-N 3.11Å; V403-N407 PolarHBondContact O-N 2.71Å
404I93.7Very high91.8Very high0 Ų062 Ų620%029%0.293CS..Hα-helixtrans-54.1-49.3173.6-64.7176.5000109.9L327 F329 L369 V381 L386 I400 L401 K406 N407 I408L327-I404 HydrophobicContact CD2-CD1 4.36Å; L327-I404 HydrophobicContact CD2-CG1 3.62Å; F329-I404 HydrophobicContact CD1-CG1 4.46Å; F329-I404 HydrophobicContact CE1-CG1 4.14Å; F329-I404 HydrophobicContact CE2-CG2 4.43Å; F329-I404 HydrophobicContact CZ-CG1 4.45Å; F329-I404 HydrophobicContact CZ-CG2 4.3Å; L369-I404 HydrophobicContact CD2-CB 4.35Å; L369-I404 HydrophobicContact CD2-CG2 3.81Å; V381-I404 HydrophobicContact CG1-CG2 4.21Å; L386-I404 HydrophobicContact CD1-CD1 4.5Å; I400-I404 HydrophobicContact CG2-CD1 4.1Å; I400-I404 HydrophobicContact CG2-CG1 4.41Å; I400-I404 PolarHBondContact O-N 3.16Å; L401-I404 HydrophobicContact CD2-CD1 4.49Å; L401-I404 PolarHBondContact O-N 3.32Å; I404-K406 PolarHBondContact O-N 3.23Å; I404-N407 PolarHBondContact O-N 3.13Å; I404-N407 VanDerWaalsContact O-N 3.11Å; I404-I408 HydrophobicContact CG2-CD1 3.58Å; I404-I408 HydrophobicContact CG2-CG1 4.17Å; I404-I408 WeakPolarHBondContact O-CG1 3.38Å; I404-I408 PolarHBondContact O-N 2.81Å
405R95.1Very high92.5Very high81 Ų8156.5 Ų56.531%0.30627%0.266SS..Hα-helixtrans-53.9-47.5177.3-179176.668.3-166.79.8112.9E368 L369 L401 V403 N407 I408 V409E368-R405 WeakPolarHBondContact O-CD 3.24Å; L369-R405 WeakPolarHBondContact O-CA 3.19Å; L369-R405 WeakPolarHBondContact O-CB 3.19Å; L369-R405 VanDerWaalsContact O-CG 3.3Å; L369-R405 WeakPolarHBondContact O-CG 3.33Å; L401-R405 WeakPolarHBondContact O-CB 3.3Å; L401-R405 PolarHBondContact O-N 3.32Å; V403-R405 VanDerWaalsContact C-N 3.3Å; V403-R405 PolarHBondContact O-N 3.44Å; R405-N407 VanDerWaalsContact C-N 3.3Å; R405-N407 PolarHBondContact O-N 3.15Å; R405-I408 PolarHBondContact O-N 2.74Å; R405-V409 HydrophobicContact CG-CG2 4.24Å; R405-V409 WeakPolarHBondContact O-CB 3.47Å; R405-V409 VanDerWaalsContact O-CG2 3.24Å; R405-V409 WeakPolarHBondContact O-CG2 3.5Å; R405-V409 PolarHBondContact O-N 2.93Å
406K95Very high93.2Very high153 Ų15355.7 Ų55.767%0.66526%0.262SS*.Hα-helixtrans-60.2-41.3179.3-77.8-179.5176.1-1750112K402 V403 I404 K410K402-K406 WeakPolarHBondContact O-CG 3.19Å; K402-K406 PolarHBondContact O-N 3.34Å; V403-K406 PolarHBondContact O-N 3.11Å; I404-K406 PolarHBondContact O-N 3.23Å; K406-K410 WeakPolarHBondContact O-CB 3.31Å; K406-K410 PolarHBondContact O-N 3.48Å
407N96.3Very high93.9Very high47 Ų4752.3 Ų52.325%0.25125%0.252SS..Hα-helixtrans-69.2-44.1178.3-73.4-25.8000111.8V323 F329 V403 I404 R405 K410 K411V323-N407 HydrophobicContact CG2-CB 4.23Å; F329-N407 HydrophobicContact CZ-CB 3.91Å; V403-N407 PolarHBondContact O-N 2.71Å; I404-N407 PolarHBondContact O-N 3.13Å; I404-N407 VanDerWaalsContact O-N 3.11Å; R405-N407 VanDerWaalsContact C-N 3.3Å; R405-N407 PolarHBondContact O-N 3.15Å; N407-K410 PolarHBondContact O-N 2.8Å; N407-K411 WeakPolarHBondContact O-CG 3.21Å; N407-K411 PolarHBondContact O-N 2.91Å
408I97.2Very high94.7Very high0 Ų051.1 Ų51.10%025%0.247CC..Hα-helixtrans-57.3-53.4174.2-69.8172.9000110.1F321 L333 I353 I370 V381 I404 R405 K410 K411 C412F321-I408 HydrophobicContact CZ-CG1 4.07Å; L333-I408 HydrophobicContact CD1-CG2 4Å; L333-I408 HydrophobicContact CD2-CG2 4.34Å; I353-I408 HydrophobicContact CD1-CD1 4.49Å; I353-I408 HydrophobicContact CD1-CG2 4.35Å; I370-I408 HydrophobicContact CG2-CG2 3.81Å; V381-I408 HydrophobicContact CG2-CD1 3.82Å; I404-I408 HydrophobicContact CG2-CD1 3.58Å; I404-I408 HydrophobicContact CG2-CG1 4.17Å; I404-I408 WeakPolarHBondContact O-CG1 3.38Å; I404-I408 PolarHBondContact O-N 2.81Å; R405-I408 PolarHBondContact O-N 2.74Å; I408-K410 VanDerWaalsContact C-N 3.3Å; I408-K410 PolarHBondContact O-N 3.49Å; I408-K411 CarbonylContact O-C 3.54Å; I408-K411 PolarHBondContact O-N 3.29Å; I408-C412 PolarHBondContact O-N 3.47Å; I408-C412 PolarHBondContact O-SG 3.32Å
409V97.8Very high95.5Very high10 Ų1049.2 Ų49.26%0.06123%0.232CC..Hα-helixtrans-56.4-45.1-179.9171.70000111.2P371 L374 R405 K411 C412 L413 N447P371-V409 HydrophobicContact CG-CG2 3.74Å; L374-V409 HydrophobicContact CD1-CB 4.48Å; L374-V409 HydrophobicContact CD1-CG2 3.94Å; R405-V409 HydrophobicContact CG-CG2 4.24Å; R405-V409 WeakPolarHBondContact O-CB 3.47Å; R405-V409 VanDerWaalsContact O-CG2 3.24Å; R405-V409 WeakPolarHBondContact O-CG2 3.5Å; R405-V409 PolarHBondContact O-N 2.93Å; V409-K411 VanDerWaalsContact C-N 3.33Å; V409-K411 PolarHBondContact O-N 3.2Å; V409-C412 PolarHBondContact O-N 3.48Å; V409-L413 HydrophobicContact CG1-CD1 4.04Å; V409-L413 HydrophobicContact CG1-CG 4.45Å; V409-L413 VanDerWaalsContact O-CG 3.3Å; V409-L413 WeakPolarHBondContact O-CG 3.3Å; V409-L413 PolarHBondContact O-N 3.45Å; V409-N447 WeakPolarHBondContact CG1-ND2 3.41Å
410K97.6Very high96Very high101 Ų10142.9 Ų42.944%0.43921%0.21SC..Hα-helixtrans-56.9-46.7176.4-179.6-178173.2-174.20111.5K406 N407 I408 L413 E414K406-K410 WeakPolarHBondContact O-CB 3.31Å; K406-K410 PolarHBondContact O-N 3.48Å; N407-K410 PolarHBondContact O-N 2.8Å; I408-K410 VanDerWaalsContact C-N 3.3Å; I408-K410 PolarHBondContact O-N 3.49Å; K410-L413 PolarHBondContact O-N 3.3Å; K410-E414 WeakPolarHBondContact CE-OE1 3.44Å; K410-E414 WeakPolarHBondContact O-CG 3.18Å; K410-E414 PolarHBondContact O-N 2.83Å
411K98.1Very high96.3Very high55 Ų5549.7 Ų49.724%0.23924%0.241CC..Hα-helixtrans-71.8-33-179.4-67.6-58.9-175.8-176.10113.7F321 N407 I408 V409 E414 L415F321-K411 HydrophobicContact CB-CD 4.31Å; F321-K411 HydrophobicContact CB-CG 4.26Å; F321-K411 HydrophobicContact CD1-CB 4.04Å; F321-K411 HydrophobicContact CD1-CG 4Å; F321-K411 HydrophobicContact CD2-CG 3.75Å; F321-K411 HydrophobicContact CE1-CB 4.07Å; F321-K411 HydrophobicContact CE1-CG 4.23Å; F321-K411 HydrophobicContact CE2-CG 3.99Å; F321-K411 HydrophobicContact CG-CB 4.3Å; F321-K411 HydrophobicContact CG-CD 4.32Å; F321-K411 HydrophobicContact CG-CG 3.74Å; F321-K411 HydrophobicContact CZ-CB 4.35Å; F321-K411 HydrophobicContact CZ-CG 4.22Å; N407-K411 WeakPolarHBondContact O-CG 3.21Å; N407-K411 PolarHBondContact O-N 2.91Å; I408-K411 CarbonylContact O-C 3.54Å; I408-K411 PolarHBondContact O-N 3.29Å; V409-K411 VanDerWaalsContact C-N 3.33Å; V409-K411 PolarHBondContact O-N 3.2Å; K411-E414 WeakPolarHBondContact CD-OE2 3.35Å; K411-E414 IonicContact NZ-OE1 3.46Å; K411-E414 IonicContact NZ-OE2 3.41Å; K411-E414 PolarHBondContact NZ-OE2 2.88Å; K411-E414 PolarHBondContact O-N 3.09Å; K411-L415 WeakPolarHBondContact O-CB 3.45Å; K411-L415 PolarHBondContact O-N 3.17Å
412C98.4Very high96.5Very high1 Ų152.5 Ų52.51%0.00726%0.256CS..Hα-helixtrans-63.1-44.6171-630000111.6L333 L374 I377 I408 V409 L415 F416L333-C412 VanDerWaalsContact CD1-SG 3.6Å; L374-C412 HydrophobicContact CD1-CB 3.99Å; I377-C412 HydrophobicContact CD1-CB 3.81Å; I377-C412 WeakPolarHBondContact CD1-SG 3.49Å; I408-C412 PolarHBondContact O-N 3.47Å; I408-C412 PolarHBondContact O-SG 3.32Å; V409-C412 PolarHBondContact O-N 3.48Å; C412-L415 WeakPolarHBondContact O-CB 3.41Å; C412-L415 PolarHBondContact O-N 2.81Å; C412-F416 HydrophobicContact CB-CE2 4.47Å; C412-F416 HydrophobicContact CB-CZ 4.4Å; C412-F416 WeakPolarHBondContact O-CD1 3.37Å; C412-F416 WeakPolarHBondContact O-CD2 3.04Å; C412-F416 WeakPolarHBondContact O-CG 3.28Å; C412-F416 PolarHBondContact O-N 3.21Å
413L98.3Very high96.7Very high2 Ų253.5 Ų53.51%0.0126%0.26CS..Hα-helixtrans-68.3-35.7178.9-64.4174.9000112.2V409 K410 F416 S417 N447 R450 L451V409-L413 HydrophobicContact CG1-CD1 4.04Å; V409-L413 HydrophobicContact CG1-CG 4.45Å; V409-L413 VanDerWaalsContact O-CG 3.3Å; V409-L413 WeakPolarHBondContact O-CG 3.3Å; V409-L413 PolarHBondContact O-N 3.45Å; K410-L413 PolarHBondContact O-N 3.3Å; L413-F416 HydrophobicContact CD2-CD2 3.96Å; L413-F416 HydrophobicContact CD2-CE2 4.27Å; L413-F416 PolarHBondContact O-N 2.8Å; L413-S417 PolarHBondContact O-N 3.37Å; L413-S417 PolarHBondContact O-OG 2.88Å; L413-N447 HydrophobicContact CD1-CB 3.68Å; L413-N447 WeakPolarHBondContact CD1-OD1 3.42Å; L413-R450 HydrophobicContact CD1-CB 4.33Å; L413-L451 HydrophobicContact CD2-CD2 3.54Å; L413-L451 HydrophobicContact CD2-CG 4.04Å
414E98.1Very high96.8Very high51 Ų5156.2 Ų56.224%0.23827%0.268CS..Hα-helixtrans-60.3-47.8169.3-74.6170.8-160.100110.4K410 K411 F416 S417 E418K410-E414 WeakPolarHBondContact CE-OE1 3.44Å; K410-E414 WeakPolarHBondContact O-CG 3.18Å; K410-E414 PolarHBondContact O-N 2.83Å; K411-E414 WeakPolarHBondContact CD-OE2 3.35Å; K411-E414 IonicContact NZ-OE1 3.46Å; K411-E414 IonicContact NZ-OE2 3.41Å; K411-E414 PolarHBondContact NZ-OE2 2.88Å; K411-E414 PolarHBondContact O-N 3.09Å; E414-F416 VanDerWaalsContact C-N 3.35Å; E414-F416 PolarHBondContact O-N 3.36Å; E414-S417 WeakPolarHBondContact O-CB 3.37Å; E414-S417 PolarHBondContact O-N 2.87Å; E414-S417 VanDerWaalsContact O-N 3.1Å; E414-E418 WeakPolarHBondContact O-CG 3.29Å; E414-E418 PolarHBondContact O-N 3.36Å
415L98.2Very high97Very high7 Ų758 Ų584%0.03728%0.278CS..Hα-helixtrans-59.3-41.4176179.164.8000112.6A317 K319 I335 K411 C412 S417 E418 L419A317-L415 HydrophobicContact CB-CD1 4.14Å; K319-L415 HydrophobicContact CB-CB 4.27Å; K319-L415 HydrophobicContact CB-CD1 4.19Å; K319-L415 HydrophobicContact CB-CD2 3.98Å; K319-L415 HydrophobicContact CB-CG 4.36Å; K319-L415 HydrophobicContact CD-CD1 4.43Å; I335-L415 HydrophobicContact CD1-CD2 3.52Å; I335-L415 HydrophobicContact CD1-CG 3.98Å; I335-L415 HydrophobicContact CG1-CD2 3.82Å; K411-L415 WeakPolarHBondContact O-CB 3.45Å; K411-L415 PolarHBondContact O-N 3.17Å; C412-L415 WeakPolarHBondContact O-CB 3.41Å; C412-L415 PolarHBondContact O-N 2.81Å; L415-S417 VanDerWaalsContact C-N 3.3Å; L415-S417 PolarHBondContact O-N 3.02Å; L415-E418 PolarHBondContact O-N 2.88Å; L415-L419 VanDerWaalsContact O-CB 3.31Å; L415-L419 WeakPolarHBondContact O-CB 3.42Å; L415-L419 PolarHBondContact O-N 3.24Å
416F98.5Very high97.1Very high0 Ų054.5 Ų54.50%027%0.265CS..Hα-helixtrans-66.9-33.1176.4-59.4-26.5000112.6I335 L374 F376 I377 C412 L413 E414 A420 F429 L437 L454I335-F416 HydrophobicContact CD1-CD1 3.64Å; I335-F416 HydrophobicContact CD1-CE1 3.46Å; I335-F416 VanDerWaalsContact CD1-CE1 3.46Å; I335-F416 HydrophobicContact CG1-CE1 4.2Å; L374-F416 HydrophobicContact CD2-CE2 3.68Å; L374-F416 HydrophobicContact CD2-CZ 3.71Å; F376-F416 HydrophobicContact CE2-CE1 4.44Å; F376-F416 HydrophobicContact CE2-CZ 4.44Å; F376-F416 HydrophobicContact CZ-CE1 4.08Å; F376-F416 AromaticContact CZ-CZ 3.69Å; F376-F416 HydrophobicContact CZ-CZ 3.69Å; I377-F416 HydrophobicContact CD1-CE1 4.32Å; I377-F416 HydrophobicContact CD1-CZ 3.95Å; C412-F416 HydrophobicContact CB-CE2 4.47Å; C412-F416 HydrophobicContact CB-CZ 4.4Å; C412-F416 WeakPolarHBondContact O-CD1 3.37Å; C412-F416 WeakPolarHBondContact O-CD2 3.04Å; C412-F416 WeakPolarHBondContact O-CG 3.28Å; C412-F416 PolarHBondContact O-N 3.21Å; L413-F416 HydrophobicContact CD2-CD2 3.96Å; L413-F416 HydrophobicContact CD2-CE2 4.27Å; L413-F416 PolarHBondContact O-N 2.8Å; E414-F416 VanDerWaalsContact C-N 3.35Å; E414-F416 PolarHBondContact O-N 3.36Å; F416-A420 WeakPolarHBondContact O-CB 3.38Å; F416-A420 PolarHBondContact O-N 2.92Å; F416-F429 HydrophobicContact CD1-CE1 4.1Å; F416-F429 HydrophobicContact CD1-CE2 4.12Å; F416-F429 AromaticContact CD1-CZ 3.54Å; F416-F429 HydrophobicContact CD1-CZ 3.54Å; F416-F429 AromaticContact CE1-CE2 3.85Å; F416-F429 HydrophobicContact CE1-CE2 3.85Å; F416-F429 AromaticContact CE1-CZ 3.53Å; F416-F429 HydrophobicContact CE1-CZ 3.53Å; F416-F429 HydrophobicContact CG-CE1 4.37Å; F416-F429 HydrophobicContact CG-CZ 4.09Å; F416-F429 HydrophobicContact CZ-CZ 4.06Å; F416-L437 HydrophobicContact CD2-CD2 4.14Å; F416-L437 HydrophobicContact CE2-CD2 4.08Å; F416-L454 HydrophobicContact CB-CD1 3.59Å; F416-L454 HydrophobicContact CB-CD2 4.01Å; F416-L454 HydrophobicContact CB-CG 4.47Å; F416-L454 HydrophobicContact CD2-CD1 3.77Å; F416-L454 HydrophobicContact CG-CD1 4.14Å
417S97.4Very high97.2Very high53 Ų5353.5 Ų53.537%0.37126%0.26SS..Hα-helixtrans-69.3-43.8176.2-53.70000110.7L413 E414 L415 L419 A420 E421L413-S417 PolarHBondContact O-N 3.37Å; L413-S417 PolarHBondContact O-OG 2.88Å; E414-S417 WeakPolarHBondContact O-CB 3.37Å; E414-S417 PolarHBondContact O-N 2.87Å; E414-S417 VanDerWaalsContact O-N 3.1Å; L415-S417 VanDerWaalsContact C-N 3.3Å; L415-S417 PolarHBondContact O-N 3.02Å; S417-L419 VanDerWaalsContact C-N 3.34Å; S417-A420 WeakPolarHBondContact O-CB 3.41Å; S417-A420 PolarHBondContact O-N 2.97Å; S417-A420 VanDerWaalsContact O-N 3.15Å; S417-E421 PolarHBondContact O-N 3.37Å
418E97.2Very high97.3Very high85 Ų8555.2 Ų55.240%0.39727%0.266SS..Hα-helixtrans-60.1-44.4172.4-70.3164-169.300111K319 E414 L415 A420 E421K319-E418 IonicContact NZ-OE1 3.8Å; K319-E418 PolarHBondContact NZ-OE1 2.96Å; K319-E418 IonicContact NZ-OE2 3.73Å; K319-E418 PolarHBondContact NZ-OE2 3.38Å; E414-E418 WeakPolarHBondContact O-CG 3.29Å; E414-E418 PolarHBondContact O-N 3.36Å; L415-E418 PolarHBondContact O-N 2.88Å; E418-A420 PolarHBondContact O-N 3.01Å; E418-E421 WeakPolarHBondContact O-CB 3.31Å; E418-E421 PolarHBondContact O-N 3.26Å; E418-E421 VanDerWaalsContact O-N 3.14Å
419L97.2Very high97.3Very high14 Ų1455.2 Ų55.27%0.07327%0.266CS..Hα-helixtrans-63.6-31176.9-167.861.2000111.9L316 A317 I335 L415 S417 E421 D422 N425 Y426 F429L316-L419 HydrophobicContact CD2-CD2 4.29Å; A317-L419 HydrophobicContact CB-CD1 4.27Å; I335-L419 HydrophobicContact CD1-CD2 4.21Å; L415-L419 VanDerWaalsContact O-CB 3.31Å; L415-L419 WeakPolarHBondContact O-CB 3.42Å; L415-L419 PolarHBondContact O-N 3.24Å; S417-L419 VanDerWaalsContact C-N 3.34Å; L419-E421 PolarHBondContact O-N 2.83Å; L419-D422 CarbonylContact O-C 3.43Å; L419-D422 PolarHBondContact O-N 3.36Å; L419-D422 VanDerWaalsContact O-N 3.17Å; L419-D422 VanDerWaalsContact O-O 3.08Å; L419-N425 HydrophobicContact CD1-CB 3.98Å; L419-Y426 HydrophobicContact CB-CD2 4.36Å; L419-Y426 HydrophobicContact CG-CD2 4.22Å; L419-Y426 WeakPolarHBondContact O-CB 3.26Å; L419-F429 HydrophobicContact CD2-CB 3.63Å; L419-F429 HydrophobicContact CD2-CD1 3.96Å; L419-F429 HydrophobicContact CD2-CD2 4.05Å; L419-F429 HydrophobicContact CD2-CG 3.61Å
420A97.1Very high97.4Very high29 Ų2955.2 Ų55.224%0.2427%0.265CS..Hα-helixtrans-69.1-18.8177.500000113.8F416 S417 E418 Y426 L454F416-A420 WeakPolarHBondContact O-CB 3.38Å; F416-A420 PolarHBondContact O-N 2.92Å; S417-A420 WeakPolarHBondContact O-CB 3.41Å; S417-A420 PolarHBondContact O-N 2.97Å; S417-A420 VanDerWaalsContact O-N 3.15Å; E418-A420 PolarHBondContact O-N 3.01Å; A420-Y426 HydrophobicContact CB-CD2 3.73Å; A420-Y426 HydrophobicContact CB-CE2 3.7Å; A420-Y426 HydrophobicContact CB-CG 4.24Å; A420-L454 HydrophobicContact CB-CD2 4.38Å
421E96.3Very high97.3Very high168 Ų16856 Ų5679%0.78527%0.27SS*.Hα-helixtrans-72.1-31.1171.3-58.4-177.217100111.4S417 E418 L419 K423S417-E421 PolarHBondContact O-N 3.37Å; E418-E421 WeakPolarHBondContact O-CB 3.31Å; E418-E421 PolarHBondContact O-N 3.26Å; E418-E421 VanDerWaalsContact O-N 3.14Å; L419-E421 PolarHBondContact O-N 2.83Å; E421-K423 PolarHBondContact O-N 3.3Å
422D95.6Very high97.3Very high69 Ų6954.9 Ų54.937%0.36927%0.271SS..SBendtrans-88.988.8170.7-176.7-17.3000110.8L419 E424 N425 Y426L419-D422 CarbonylContact O-C 3.43Å; L419-D422 PolarHBondContact O-N 3.36Å; L419-D422 VanDerWaalsContact O-N 3.17Å; L419-D422 VanDerWaalsContact O-O 3.08Å; D422-E424 PolarHBondContact O-N 3.03Å; D422-E424 VanDerWaalsContact O-N 3.13Å; D422-E424 PolarHBondContact OD1-N 3.47Å; D422-N425 HydrophobicContact CB-CB 4.46Å; D422-N425 PolarHBondContact O-N 2.74Å; D422-N425 PolarHBondContact OD1-N 3.12Å; D422-N425 VanDerWaalsContact OD1-N 3.16Å; D422-N425 PolarHBondContact OD2-ND2 3.2Å; D422-Y426 WeakPolarHBondContact O-CB 3.46Å; D422-Y426 PolarHBondContact O-N 2.96Å
423K94.6Very high97.3Very high125 Ų12554.9 Ų54.954%0.54327%0.271SS..Hα-helixtrans-54.6-35-175.7-171.5172.8179.8175.40114.2E421 K427 E465E421-K423 PolarHBondContact O-N 3.3Å; K423-K427 PolarHBondContact O-N 3.29Å; K423-K427 VanDerWaalsContact O-N 3.15Å; K423-E465 WeakPolarHBondContact CE-OE1 3.33Å; K423-E465 IonicContact NZ-OE1 3.4Å; K423-E465 PolarHBondContact NZ-OE1 3.02Å
424E95.8Very high97.3Very high129 Ų12955.2 Ų55.260%0.60327%0.273SS*.Hα-helixtrans-73.8-49.6-177.3-167.3-166.3139.800111D422 Y426 K427 K428D422-E424 PolarHBondContact O-N 3.03Å; D422-E424 VanDerWaalsContact O-N 3.13Å; D422-E424 PolarHBondContact OD1-N 3.47Å; E424-Y426 VanDerWaalsContact C-N 3.32Å; E424-K427 PolarHBondContact O-N 3.19Å; E424-K428 PolarHBondContact O-N 3.34Å; E424-K428 IonicContact OE1-NZ 2.94Å; E424-K428 PolarHBondContact OE1-NZ 3.24Å
425N96.8Very high97.3Very high39 Ų3957.4 Ų57.421%0.20928%0.282CS..Hα-helixtrans-72-29.9178.5-73.4-42000111.9L316 L419 D422 K427 K428 F429L316-N425 HydrophobicContact CD1-CB 4.22Å; L419-N425 HydrophobicContact CD1-CB 3.98Å; D422-N425 HydrophobicContact CB-CB 4.46Å; D422-N425 PolarHBondContact O-N 2.74Å; D422-N425 PolarHBondContact OD1-N 3.12Å; D422-N425 VanDerWaalsContact OD1-N 3.16Å; D422-N425 PolarHBondContact OD2-ND2 3.2Å; N425-K427 VanDerWaalsContact C-N 3.33Å; N425-K427 PolarHBondContact O-N 2.94Å; N425-K428 PolarHBondContact O-N 3.32Å; N425-F429 WeakPolarHBondContact O-CB 3.06Å; N425-F429 PolarHBondContact O-N 2.88Å
426Y98.2Very high97.3Very high7 Ų757.2 Ų57.23%0.02728%0.281CS..Hα-helixtrans-61.8-40.8171.3-165.2-104.5000112.5L419 A420 D422 E424 K428 F429 Y430 L454 R456L419-Y426 HydrophobicContact CB-CD2 4.36Å; L419-Y426 HydrophobicContact CG-CD2 4.22Å; L419-Y426 WeakPolarHBondContact O-CB 3.26Å; A420-Y426 HydrophobicContact CB-CD2 3.73Å; A420-Y426 HydrophobicContact CB-CE2 3.7Å; A420-Y426 HydrophobicContact CB-CG 4.24Å; D422-Y426 WeakPolarHBondContact O-CB 3.46Å; D422-Y426 PolarHBondContact O-N 2.96Å; E424-Y426 VanDerWaalsContact C-N 3.32Å; Y426-K428 PolarHBondContact O-N 3.46Å; Y426-F429 AromaticContact CD2-CD1 3.99Å; Y426-F429 HydrophobicContact CD2-CD1 3.99Å; Y426-F429 AromaticContact CE2-CD1 3.75Å; Y426-F429 HydrophobicContact CE2-CD1 3.75Å; Y426-F429 HydrophobicContact CE2-CE1 4.04Å; Y426-F429 WeakPolarHBondContact O-CB 3.24Å; Y426-F429 PolarHBondContact O-N 3.49Å; Y426-Y430 HydrophobicContact CE1-CD2 4.23Å; Y426-Y430 VanDerWaalsContact O-CB 3.28Å; Y426-Y430 WeakPolarHBondContact O-CB 3.32Å; Y426-Y430 PolarHBondContact O-N 3.4Å; Y426-L454 HydrophobicContact CE2-CD2 4.28Å; Y426-L454 VanDerWaalsContact OH-C 3.25Å; Y426-L454 WeakPolarHBondContact OH-CA 3.5Å; Y426-L454 WeakPolarHBondContact OH-CB 3.43Å; Y426-L454 PolarHBondContact OH-O 3Å; Y426-R456 HydrophobicContact CD1-CG 4.36Å; Y426-R456 HydrophobicContact CE1-CG 3.71Å
427K97.3Very high97.3Very high131 Ų13157.3 Ų57.357%0.5728%0.281SS*.Hα-helixtrans-60-46.7175.9-179.2179.3171.7-1790110.9K423 E424 N425 F429 Y430 E431K423-K427 PolarHBondContact O-N 3.29Å; K423-K427 VanDerWaalsContact O-N 3.15Å; E424-K427 PolarHBondContact O-N 3.19Å; N425-K427 VanDerWaalsContact C-N 3.33Å; N425-K427 PolarHBondContact O-N 2.94Å; K427-F429 PolarHBondContact O-N 2.97Å; K427-Y430 PolarHBondContact O-N 3.49Å; K427-E431 WeakPolarHBondContact CE-OE1 3.38Å; K427-E431 IonicContact NZ-OE1 3.87Å; K427-E431 WeakPolarHBondContact O-CB 3.49Å; K427-E431 WeakPolarHBondContact O-CG 3.32Å; K427-E431 PolarHBondContact O-N 3.2Å
428K97.4Very high97.4Very high84 Ų8455 Ų5537%0.36527%0.265SS..Hα-helixtrans-60.3-44.6176.6-63.6171.6-169.41590111.6E424 N425 Y426 A432E424-K428 PolarHBondContact O-N 3.34Å; E424-K428 IonicContact OE1-NZ 2.94Å; E424-K428 PolarHBondContact OE1-NZ 3.24Å; N425-K428 PolarHBondContact O-N 3.32Å; Y426-K428 PolarHBondContact O-N 3.46Å; K428-A432 PolarHBondContact O-N 3.06Å
429F98.4Very high97.4Very high0 Ų052.6 Ų52.60%025%0.254CS..Hα-helixtrans-58.9-49.9174.2168.9-113.4000112.3L316 I335 F376 F416 L419 N425 Y426 K427 A432 F433 L437L316-F429 HydrophobicContact CD2-CB 3.59Å; L316-F429 HydrophobicContact CD2-CD2 4.38Å; L316-F429 HydrophobicContact CD2-CG 4.46Å; I335-F429 HydrophobicContact CD1-CD2 4.45Å; I335-F429 HydrophobicContact CD1-CE2 4.18Å; I335-F429 HydrophobicContact CG2-CD2 3.75Å; I335-F429 HydrophobicContact CG2-CE2 4.01Å; F376-F429 AromaticContact CE2-CE2 3.94Å; F376-F429 HydrophobicContact CE2-CE2 3.94Å; F376-F429 HydrophobicContact CZ-CE2 4.03Å; F376-F429 HydrophobicContact CZ-CZ 4.4Å; F416-F429 HydrophobicContact CD1-CE1 4.1Å; F416-F429 HydrophobicContact CD1-CE2 4.12Å; F416-F429 AromaticContact CD1-CZ 3.54Å; F416-F429 HydrophobicContact CD1-CZ 3.54Å; F416-F429 AromaticContact CE1-CE2 3.85Å; F416-F429 HydrophobicContact CE1-CE2 3.85Å; F416-F429 AromaticContact CE1-CZ 3.53Å; F416-F429 HydrophobicContact CE1-CZ 3.53Å; F416-F429 HydrophobicContact CG-CE1 4.37Å; F416-F429 HydrophobicContact CG-CZ 4.09Å; F416-F429 HydrophobicContact CZ-CZ 4.06Å; L419-F429 HydrophobicContact CD2-CB 3.63Å; L419-F429 HydrophobicContact CD2-CD1 3.96Å; L419-F429 HydrophobicContact CD2-CD2 4.05Å; L419-F429 HydrophobicContact CD2-CG 3.61Å; N425-F429 WeakPolarHBondContact O-CB 3.06Å; N425-F429 PolarHBondContact O-N 2.88Å; Y426-F429 AromaticContact CD2-CD1 3.99Å; Y426-F429 HydrophobicContact CD2-CD1 3.99Å; Y426-F429 AromaticContact CE2-CD1 3.75Å; Y426-F429 HydrophobicContact CE2-CD1 3.75Å; Y426-F429 HydrophobicContact CE2-CE1 4.04Å; Y426-F429 WeakPolarHBondContact O-CB 3.24Å; Y426-F429 PolarHBondContact O-N 3.49Å; K427-F429 PolarHBondContact O-N 2.97Å; F429-A432 PolarHBondContact O-N 2.82Å; F429-F433 HydrophobicContact CD2-CB 4.39Å; F429-F433 AromaticContact CD2-CD2 3.62Å; F429-F433 HydrophobicContact CD2-CD2 3.62Å; F429-F433 HydrophobicContact CD2-CE2 4.41Å; F429-F433 HydrophobicContact CD2-CG 4.44Å; F429-F433 HydrophobicContact CE2-CB 4.02Å; F429-F433 AromaticContact CE2-CD2 3.82Å; F429-F433 HydrophobicContact CE2-CD2 3.82Å; F429-F433 HydrophobicContact CE2-CG 4.26Å; F429-F433 PolarHBondContact O-N 2.75Å; F429-L437 HydrophobicContact CE1-CD1 3.88Å; F429-L437 HydrophobicContact CE1-CD2 4.48Å; F429-L437 HydrophobicContact CZ-CD1 4.33Å; F429-L437 HydrophobicContact CZ-CD2 4.3Å; F429-L437 HydrophobicContact CZ-CG 4.49Å
430Y98.3Very high97.4Very high9 Ų951.9 Ų51.94%0.03525%0.251CS..Hα-helixtrans-66-40.7-176-167.7-95.7000111.2Y426 K427 A432 F433 S434 L437 L454 R456 M466Y426-Y430 HydrophobicContact CE1-CD2 4.23Å; Y426-Y430 VanDerWaalsContact O-CB 3.28Å; Y426-Y430 WeakPolarHBondContact O-CB 3.32Å; Y426-Y430 PolarHBondContact O-N 3.4Å; K427-Y430 PolarHBondContact O-N 3.49Å; Y430-A432 VanDerWaalsContact C-N 3.28Å; Y430-A432 PolarHBondContact O-N 2.9Å; Y430-F433 PolarHBondContact O-N 3.3Å; Y430-S434 WeakPolarHBondContact O-CA 3.45Å; Y430-S434 WeakPolarHBondContact O-CB 3.23Å; Y430-S434 PolarHBondContact O-N 2.86Å; Y430-L437 HydrophobicContact CD2-CD1 3.83Å; Y430-L437 HydrophobicContact CE2-CD1 3.98Å; Y430-L454 WeakPolarHBondContact CE2-O 3.33Å; Y430-R456 HydrophobicContact CD1-CB 3.98Å; Y430-R456 HydrophobicContact CD1-CG 4.5Å; Y430-R456 HydrophobicContact CD2-CB 4.35Å; Y430-R456 HydrophobicContact CD2-CG 4.22Å; Y430-R456 HydrophobicContact CE1-CB 3.68Å; Y430-R456 VanDerWaalsContact CE1-O 3.3Å; Y430-R456 WeakPolarHBondContact CE1-O 3.43Å; Y430-R456 HydrophobicContact CE2-CB 4.1Å; Y430-R456 HydrophobicContact CE2-CG 4.29Å; Y430-R456 HydrophobicContact CG-CB 4.3Å; Y430-R456 HydrophobicContact CG-CG 4.34Å; Y430-R456 VanDerWaalsContact CZ-N 3.28Å; Y430-R456 VanDerWaalsContact CZ-O 3.26Å; Y430-R456 PolarHBondContact OH-N 3.15Å; Y430-R456 PolarHBondContact OH-O 2.53Å; Y430-M466 HydrophobicContact CD1-SD 4.02Å; Y430-M466 HydrophobicContact CE1-SD 3.85Å
431E96.9Very high97.5Very high119 Ų11950.5 Ų50.556%0.55624%0.239SC*.Hα-helixtrans-59.7-38.4174.1-74.9173.4-178.700112.3K427K427-E431 WeakPolarHBondContact CE-OE1 3.38Å; K427-E431 IonicContact NZ-OE1 3.87Å; K427-E431 WeakPolarHBondContact O-CB 3.49Å; K427-E431 WeakPolarHBondContact O-CG 3.32Å; K427-E431 PolarHBondContact O-N 3.2Å
432A97.8Very high97.5Very high31 Ų3145.6 Ų45.626%0.25622%0.216SC..Hα-helixtrans-78.1-37.3179.400000113.7K428 F429 Y430K428-A432 PolarHBondContact O-N 3.06Å; F429-A432 PolarHBondContact O-N 2.82Å; Y430-A432 VanDerWaalsContact C-N 3.28Å; Y430-A432 PolarHBondContact O-N 2.9Å
433F98.4Very high97.6Very high1 Ų147 Ų470%0.00422%0.22CC..Hα-helixtrans-128.415.3-166.5-55.8-70.9000115I335 P336 A339 L343 F376 F429 Y430 K435 N436 L437I335-F433 HydrophobicContact CG2-CD2 4.47Å; I335-F433 HydrophobicContact CG2-CE2 4.11Å; P336-F433 HydrophobicContact CB-CZ 4.33Å; P336-F433 VanDerWaalsContact O-CE2 3.3Å; P336-F433 WeakPolarHBondContact O-CE2 3.47Å; A339-F433 HydrophobicContact CB-CD1 4.25Å; A339-F433 HydrophobicContact CB-CE1 3.77Å; A339-F433 HydrophobicContact CB-CZ 4.35Å; L343-F433 HydrophobicContact CD2-CD1 4.39Å; F376-F433 HydrophobicContact CB-CD1 3.93Å; F376-F433 HydrophobicContact CB-CE1 3.57Å; F376-F433 HydrophobicContact CB-CZ 4.4Å; F376-F433 HydrophobicContact CD1-CD1 4.17Å; F376-F433 AromaticContact CD2-CD1 3.65Å; F376-F433 HydrophobicContact CD2-CD1 3.65Å; F376-F433 HydrophobicContact CD2-CD2 4.21Å; F376-F433 AromaticContact CD2-CE1 3.58Å; F376-F433 HydrophobicContact CD2-CE1 3.58Å; F376-F433 HydrophobicContact CD2-CE2 4.16Å; F376-F433 AromaticContact CD2-CG 3.96Å; F376-F433 HydrophobicContact CD2-CG 3.96Å; F376-F433 AromaticContact CD2-CZ 3.85Å; F376-F433 HydrophobicContact CD2-CZ 3.85Å; F376-F433 HydrophobicContact CE2-CB 4.46Å; F376-F433 HydrophobicContact CE2-CD1 4.15Å; F376-F433 HydrophobicContact CE2-CD2 4.15Å; F376-F433 HydrophobicContact CE2-CE1 4.41Å; F376-F433 HydrophobicContact CE2-CE2 4.43Å; F376-F433 AromaticContact CE2-CG 3.99Å; F376-F433 HydrophobicContact CE2-CG 3.99Å; F376-F433 AromaticContact CG-CD1 3.65Å; F376-F433 HydrophobicContact CG-CD1 3.65Å; F376-F433 AromaticContact CG-CE1 3.69Å; F376-F433 HydrophobicContact CG-CE1 3.69Å; F376-F433 HydrophobicContact CG-CG 4.31Å; F376-F433 HydrophobicContact CG-CZ 4.39Å; F376-F433 HydrophobicContact CZ-CB 4.34Å; F376-F433 HydrophobicContact CZ-CG 4.33Å; F429-F433 HydrophobicContact CD2-CB 4.39Å; F429-F433 AromaticContact CD2-CD2 3.62Å; F429-F433 HydrophobicContact CD2-CD2 3.62Å; F429-F433 HydrophobicContact CD2-CE2 4.41Å; F429-F433 HydrophobicContact CD2-CG 4.44Å; F429-F433 HydrophobicContact CE2-CB 4.02Å; F429-F433 AromaticContact CE2-CD2 3.82Å; F429-F433 HydrophobicContact CE2-CD2 3.82Å; F429-F433 HydrophobicContact CE2-CG 4.26Å; F429-F433 PolarHBondContact O-N 2.75Å; Y430-F433 PolarHBondContact O-N 3.3Å; F433-K435 PolarHBondContact O-N 2.88Å; F433-N436 HydrophobicContact CB-CB 4.45Å; F433-N436 WeakPolarHBondContact O-CB 3.47Å; F433-N436 PolarHBondContact O-N 2.98Å; F433-L437 PolarHBondContact O-N 3.36Å; F433-L437 VanDerWaalsContact O-N 3.16Å
434S98.2Very high97.7Very high9 Ų942.3 Ų42.36%0.06320%0.201CC..Hα-helixtrans-53.1-40.617660.20000112.6Y430 N436 L437 K438 E515Y430-S434 WeakPolarHBondContact O-CA 3.45Å; Y430-S434 WeakPolarHBondContact O-CB 3.23Å; Y430-S434 PolarHBondContact O-N 2.86Å; S434-N436 VanDerWaalsContact C-N 3.29Å; S434-N436 PolarHBondContact O-N 3.02Å; S434-L437 PolarHBondContact O-N 2.99Å; S434-K438 WeakPolarHBondContact O-CB 3.46Å; S434-K438 VanDerWaalsContact O-CG 3.25Å; S434-K438 WeakPolarHBondContact O-CG 3.49Å; S434-K438 PolarHBondContact O-N 2.78Å; S434-E515 PolarHBondContact OG-OE2 2.89Å
435K98Very high97.7Very high97 Ų9740 Ų4042%0.42220%0.2SC..Hα-helixtrans-59.9-39.9178.1-66.6-178.117758.60111.8F344 F433 K438 L439 E515 I517F344-K435 HydrophobicContact CE2-CB 4.28Å; F344-K435 HydrophobicContact CE2-CD 4.06Å; F344-K435 HydrophobicContact CZ-CB 3.79Å; F344-K435 HydrophobicContact CZ-CD 4.39Å; F433-K435 PolarHBondContact O-N 2.88Å; K435-K438 PolarHBondContact O-N 2.86Å; K435-L439 WeakPolarHBondContact O-CB 3.39Å; K435-L439 PolarHBondContact O-N 3.15Å; K435-E515 IonicContact NZ-OE1 3.95Å; K435-E515 PolarHBondContact NZ-OE1 3.19Å; K435-I517 WeakPolarHBondContact O-CD1 3.37Å
436N98.2Very high97.8Very high3 Ų343.9 Ų43.92%0.01623%0.225CC..Hα-helixtrans-66.6-45.4176.5-73.2-18.4000111.3F344 Y373 F376 F433 S434 K438 L439 G440F344-N436 WeakPolarHBondContact CE1-OD1 3.3Å; F344-N436 WeakPolarHBondContact CZ-OD1 3.08Å; Y373-N436 WeakPolarHBondContact CB-O 3.5Å; Y373-N436 WeakPolarHBondContact O-CB 3.32Å; F376-N436 HydrophobicContact CD1-CB 4.06Å; F376-N436 WeakPolarHBondContact CD1-ND2 3.13Å; F376-N436 HydrophobicContact CE1-CB 3.83Å; F433-N436 HydrophobicContact CB-CB 4.45Å; F433-N436 WeakPolarHBondContact O-CB 3.47Å; F433-N436 PolarHBondContact O-N 2.98Å; S434-N436 VanDerWaalsContact C-N 3.29Å; S434-N436 PolarHBondContact O-N 3.02Å; N436-K438 VanDerWaalsContact C-N 3.31Å; N436-K438 PolarHBondContact O-N 3.12Å; N436-L439 WeakPolarHBondContact O-CB 3.01Å; N436-L439 PolarHBondContact O-N 2.88Å; N436-G440 PolarHBondContact O-N 3.39Å
437L98.4Very high97.7Very high1 Ų145 Ų451%0.00523%0.231CC..Hα-helixtrans-59.6-43.2175.6-65176.1000111.9F416 F429 Y430 F433 S434 G440 I441 L451 L454F416-L437 HydrophobicContact CD2-CD2 4.14Å; F416-L437 HydrophobicContact CE2-CD2 4.08Å; F429-L437 HydrophobicContact CE1-CD1 3.88Å; F429-L437 HydrophobicContact CE1-CD2 4.48Å; F429-L437 HydrophobicContact CZ-CD1 4.33Å; F429-L437 HydrophobicContact CZ-CD2 4.3Å; F429-L437 HydrophobicContact CZ-CG 4.49Å; Y430-L437 HydrophobicContact CD2-CD1 3.83Å; Y430-L437 HydrophobicContact CE2-CD1 3.98Å; F433-L437 PolarHBondContact O-N 3.36Å; F433-L437 VanDerWaalsContact O-N 3.16Å; S434-L437 PolarHBondContact O-N 2.99Å; L437-G440 WeakPolarHBondContact O-CA 3.44Å; L437-G440 PolarHBondContact O-N 3.14Å; L437-I441 PolarHBondContact O-N 2.7Å; L437-L451 HydrophobicContact CD2-CD2 4.11Å; L437-L454 HydrophobicContact CD1-CB 4.25Å; L437-L454 HydrophobicContact CD2-CD1 4.12Å
438K98.5Very high97.7Very high5 Ų541 Ų412%0.02221%0.213CC..Hα-helixtrans-67.3-36.8178.2-67.2171.8-173.5-172.40112.3S434 K435 N436 G440 I441 H442 L455 E515 I517 D518 C521S434-K438 WeakPolarHBondContact O-CB 3.46Å; S434-K438 VanDerWaalsContact O-CG 3.25Å; S434-K438 WeakPolarHBondContact O-CG 3.49Å; S434-K438 PolarHBondContact O-N 2.78Å; K435-K438 PolarHBondContact O-N 2.86Å; N436-K438 VanDerWaalsContact C-N 3.31Å; N436-K438 PolarHBondContact O-N 3.12Å; K438-G440 VanDerWaalsContact C-N 3.33Å; K438-I441 WeakPolarHBondContact O-CB 3.46Å; K438-I441 PolarHBondContact O-N 2.61Å; K438-H442 PolarHBondContact O-N 3.02Å; K438-H442 VanDerWaalsContact O-N 3.13Å; K438-L455 HydrophobicContact CG-CD2 3.97Å; K438-E515 IonicContact NZ-OE2 2.67Å; K438-E515 PolarHBondContact NZ-OE2 3.46Å; K438-I517 HydrophobicContact CB-CD1 4.04Å; K438-I517 HydrophobicContact CB-CG1 4.04Å; K438-I517 HydrophobicContact CB-CG2 4.07Å; K438-I517 HydrophobicContact CD-CG2 3.62Å; K438-I517 HydrophobicContact CG-CG2 4.49Å; K438-D518 VanDerWaalsContact CD-OD1 3.27Å; K438-D518 WeakPolarHBondContact CD-OD1 3.33Å; K438-D518 WeakPolarHBondContact CE-OD1 3.29Å; K438-D518 IonicContact NZ-OD1 2.64Å; K438-D518 PolarHBondContact NZ-OD1 3.39Å; K438-D518 IonicContact NZ-OD2 3.54Å; K438-C521 HydrophobicContact CB-CB 4.48Å
439L97.5Very high97.7Very high34 Ų3445.9 Ų45.918%0.17823%0.229CC..Hα-helixtrans-62.1-42.3170.2-177.262.5000111E372 K435 N436 I441 H442 E443 I517E372-L439 HydrophobicContact CG-CD2 4.44Å; K435-L439 WeakPolarHBondContact O-CB 3.39Å; K435-L439 PolarHBondContact O-N 3.15Å; N436-L439 WeakPolarHBondContact O-CB 3.01Å; N436-L439 PolarHBondContact O-N 2.88Å; L439-I441 VanDerWaalsContact C-N 3.32Å; L439-I441 PolarHBondContact O-N 3.2Å; L439-H442 WeakPolarHBondContact O-CA 3.35Å; L439-H442 WeakPolarHBondContact O-CB 3.03Å; L439-H442 PolarHBondContact O-N 2.68Å; L439-E443 HydrophobicContact CD1-CG 4.01Å; L439-E443 HydrophobicContact CG-CG 4.33Å; L439-E443 PolarHBondContact O-N 3.38Å; L439-I517 HydrophobicContact CB-CD1 4.17Å
440G98.1Very high97.6Very high0 Ų051.2 Ų51.20%025%0.249CC..Hα-helixtrans-59.3-39.6174.400000113N436 L437 K438 H442 D444N436-G440 PolarHBondContact O-N 3.39Å; L437-G440 WeakPolarHBondContact O-CA 3.44Å; L437-G440 PolarHBondContact O-N 3.14Å; K438-G440 VanDerWaalsContact C-N 3.33Å; G440-H442 VanDerWaalsContact C-N 3.29Å; G440-H442 PolarHBondContact O-N 3.38Å; G440-D444 WeakPolarHBondContact O-CA 3.32Å; G440-D444 WeakPolarHBondContact O-CB 3.3Å; G440-D444 PolarHBondContact O-N 2.99Å
441I98.3Very high97.6Very high0 Ų050.8 Ų50.80%025%0.247CC..Hα-helixtrans-61.2-40.6172.5-65.3-71.1000111.1L437 K438 L439 R448 L451 L455 C521 Q524 L525L437-I441 PolarHBondContact O-N 2.7Å; K438-I441 WeakPolarHBondContact O-CB 3.46Å; K438-I441 PolarHBondContact O-N 2.61Å; L439-I441 VanDerWaalsContact C-N 3.32Å; L439-I441 PolarHBondContact O-N 3.2Å; I441-R448 HydrophobicContact CD1-CG 3.92Å; I441-R448 WeakPolarHBondContact CD1-O 3.19Å; I441-R448 HydrophobicContact CG2-CG 4.13Å; I441-R448 PolarHBondContact O-NE 3.23Å; I441-R448 PolarHBondContact O-NH2 3.15Å; I441-L451 HydrophobicContact CD1-CB 3.38Å; I441-L451 HydrophobicContact CG1-CB 4.08Å; I441-L455 HydrophobicContact CD1-CD1 4.43Å; I441-L455 HydrophobicContact CG1-CD1 4.33Å; I441-L455 HydrophobicContact CG1-CD2 4.42Å; I441-C521 VanDerWaalsContact CG2-SG 3.52Å; I441-Q524 HydrophobicContact CG2-CB 4.49Å; I441-L525 HydrophobicContact CG2-CB 4.43Å
442H97.3Very high97.6Very high64 Ų6445.4 Ų45.430%0.29622%0.223SC..Hα-helixtrans-65.5-50.5179.7-171.172.4000111.5K438 L439 G440 R448 Y520K438-H442 PolarHBondContact O-N 3.02Å; K438-H442 VanDerWaalsContact O-N 3.13Å; L439-H442 WeakPolarHBondContact O-CA 3.35Å; L439-H442 WeakPolarHBondContact O-CB 3.03Å; L439-H442 PolarHBondContact O-N 2.68Å; G440-H442 VanDerWaalsContact C-N 3.29Å; G440-H442 PolarHBondContact O-N 3.38Å; H442-R448 PolarHBondContact O-NH2 3Å; H442-Y520 AromaticContact CE1-CD1 3.97Å; H442-Y520 PolarHBondContact ND1-O 3Å
443E96.4Very high97.6Very high98 Ų9847.7 Ų47.746%0.45823%0.228SC..Hα-helixtrans-86.7-45-171.5-63.2-175.6162.100114.3L439 S445L439-E443 HydrophobicContact CD1-CG 4.01Å; L439-E443 HydrophobicContact CG-CG 4.33Å; L439-E443 PolarHBondContact O-N 3.38Å; E443-S445 PolarHBondContact O-N 3.35Å
444D97.1Very high97.6Very high27 Ų2747.9 Ų47.914%0.14423%0.229CC..  trans-94.585.3-169.8-169.1-18.1000111.9Y373 G440 T446 N447 R448 L451Y373-D444 HydrophobicContact CD1-CB 4.44Å; Y373-D444 HydrophobicContact CE1-CB 3.68Å; Y373-D444 PolarHBondContact OH-OD2 3.3Å; G440-D444 WeakPolarHBondContact O-CA 3.32Å; G440-D444 WeakPolarHBondContact O-CB 3.3Å; G440-D444 PolarHBondContact O-N 2.99Å; D444-T446 PolarHBondContact O-N 2.8Å; D444-T446 WeakPolarHBondContact OD1-CB 3.2Å; D444-T446 PolarHBondContact OD1-N 3.14Å; D444-N447 PolarHBondContact O-N 3.06Å; D444-N447 PolarHBondContact OD1-N 2.84Å; D444-N447 PolarHBondContact OD1-ND2 3.32Å; D444-N447 WeakPolarHBondContact OD2-CB 3.39Å; D444-N447 PolarHBondContact OD2-ND2 3.21Å; D444-R448 WeakPolarHBondContact O-CB 3.45Å; D444-R448 PolarHBondContact O-N 3.41Å; D444-L451 HydrophobicContact CB-CD1 4.42Å
445S97Very high97.6Very high81 Ų8147.5 Ų47.557%0.56623%0.226SC*.THydrogen-bonded Turntrans-60.4-24.9175.861.50000115E443E443-S445 PolarHBondContact O-N 3.35Å
446T97.3Very high97.7Very high120 Ų12044.9 Ų44.974%0.73621%0.214SC*.THydrogen-bonded Turntrans-78.6-43.1-176.8-58.40000110.9D444D444-T446 PolarHBondContact O-N 2.8Å; D444-T446 WeakPolarHBondContact OD1-CB 3.2Å; D444-T446 PolarHBondContact OD1-N 3.14Å
447N97.7Very high97.7Very high31 Ų3145 Ų4517%0.16621%0.214CC..THydrogen-bonded Turntrans-95.4-0.3-178.6-65.6-62.8000114.1V409 L413 D444 R449 R450 L451V409-N447 WeakPolarHBondContact CG1-ND2 3.41Å; L413-N447 HydrophobicContact CD1-CB 3.68Å; L413-N447 WeakPolarHBondContact CD1-OD1 3.42Å; D444-N447 PolarHBondContact O-N 3.06Å; D444-N447 PolarHBondContact OD1-N 2.84Å; D444-N447 PolarHBondContact OD1-ND2 3.32Å; D444-N447 WeakPolarHBondContact OD2-CB 3.39Å; D444-N447 PolarHBondContact OD2-ND2 3.21Å; N447-R449 PolarHBondContact O-N 2.9Å; N447-R450 PolarHBondContact O-N 2.77Å; N447-L451 HydrophobicContact CB-CD1 4.27Å; N447-L451 PolarHBondContact O-N 2.84Å
448R97.4Very high97.7Very high46 Ų4646.8 Ų46.817%0.17422%0.222CC..Hα-helixtrans-46.2-41.2-179.2-172.3171-64.1126.2-0.6114I441 H442 D444 L451 S452I441-R448 HydrophobicContact CD1-CG 3.92Å; I441-R448 WeakPolarHBondContact CD1-O 3.19Å; I441-R448 HydrophobicContact CG2-CG 4.13Å; I441-R448 PolarHBondContact O-NE 3.23Å; I441-R448 PolarHBondContact O-NH2 3.15Å; H442-R448 PolarHBondContact O-NH2 3Å; D444-R448 WeakPolarHBondContact O-CB 3.45Å; D444-R448 PolarHBondContact O-N 3.41Å; R448-L451 PolarHBondContact O-N 3.06Å; R448-S452 VanDerWaalsContact O-CB 3.32Å; R448-S452 WeakPolarHBondContact O-CB 3.41Å; R448-S452 PolarHBondContact O-N 3Å; R448-S452 PolarHBondContact O-OG 2.8Å
449R95.9Very high97.6Very high188 Ų18846.7 Ų46.771%0.70922%0.222SC*.Hα-helixtrans-59.1-53177.4-178.3177175.7174.91.9111.7N447 L451 S452N447-R449 PolarHBondContact O-N 2.9Å; R449-L451 PolarHBondContact O-N 3.23Å; R449-S452 PolarHBondContact O-N 3.19Å; R449-S452 VanDerWaalsContact O-N 3.17Å; R449-S452 PolarHBondContact O-OG 3.16Å
450R96.9Very high97.6Very high112 Ų11246.3 Ų46.342%0.42322%0.222SC..Hα-helixtrans-63.1-43.3178.9-66.2-178.9177.7-162.4-4.6111.7L413 N447 S452 E453L413-R450 HydrophobicContact CD1-CB 4.33Å; N447-R450 PolarHBondContact O-N 2.77Å; R450-S452 PolarHBondContact O-N 3.08Å; R450-E453 PolarHBondContact O-N 2.97Å
451L98.2Very high97.6Very high0 Ų052.3 Ų52.30%025%0.25CS..Hα-helixtrans-62-32.7176.8-72169000112Y373 L413 L437 I441 D444 N447 R448 R449 E453 L454Y373-L451 HydrophobicContact CE2-CD1 4.19Å; Y373-L451 HydrophobicContact CE2-CD2 4.13Å; L413-L451 HydrophobicContact CD2-CD2 3.54Å; L413-L451 HydrophobicContact CD2-CG 4.04Å; L437-L451 HydrophobicContact CD2-CD2 4.11Å; I441-L451 HydrophobicContact CD1-CB 3.38Å; I441-L451 HydrophobicContact CG1-CB 4.08Å; D444-L451 HydrophobicContact CB-CD1 4.42Å; N447-L451 HydrophobicContact CB-CD1 4.27Å; N447-L451 PolarHBondContact O-N 2.84Å; R448-L451 PolarHBondContact O-N 3.06Å; R449-L451 PolarHBondContact O-N 3.23Å; L451-E453 VanDerWaalsContact C-N 3.31Å; L451-E453 PolarHBondContact O-N 2.94Å; L451-L454 HydrophobicContact CD2-CD1 4.39Å; L451-L454 WeakPolarHBondContact O-CB 3.46Å; L451-L454 PolarHBondContact O-N 3.41Å; L451-L454 VanDerWaalsContact O-N 3.16Å
452S97.9Very high97.3Very high5 Ų553.7 Ų53.74%0.03526%0.26CS..Hα-helixtrans-69.8-28.8-17869.80000113.1R448 R449 R450 L454 L455 F528R448-S452 VanDerWaalsContact O-CB 3.32Å; R448-S452 WeakPolarHBondContact O-CB 3.41Å; R448-S452 PolarHBondContact O-N 3Å; R448-S452 PolarHBondContact O-OG 2.8Å; R449-S452 PolarHBondContact O-N 3.19Å; R449-S452 VanDerWaalsContact O-N 3.17Å; R449-S452 PolarHBondContact O-OG 3.16Å; R450-S452 PolarHBondContact O-N 3.08Å; S452-L454 PolarHBondContact O-N 2.75Å; S452-L455 PolarHBondContact O-N 3.01Å; S452-F528 WeakPolarHBondContact OG-CD2 3.18Å; S452-F528 WeakPolarHBondContact OG-CE2 3.16Å
453E97.7Very high97.1Very high80 Ų8052.8 Ų52.837%0.37427%0.268SS..Hα-helixtrans-68.8-21.5174.5-64.7167.1-165.600112R450 L451 R456 F528R450-E453 PolarHBondContact O-N 2.97Å; L451-E453 VanDerWaalsContact C-N 3.31Å; L451-E453 PolarHBondContact O-N 2.94Å; E453-R456 PolarHBondContact O-NH1 2.74Å; E453-F528 HydrophobicContact CG-CE2 4.26Å; E453-F528 HydrophobicContact CG-CZ 4.45Å
454L98.2Very high96.9Very high5 Ų555 Ų553%0.02628%0.282CS..THydrogen-bonded Turntrans-84.8-12.6177.8-59.9177.2000112.8F416 A420 Y426 Y430 L437 L451 S452 R456F416-L454 HydrophobicContact CB-CD1 3.59Å; F416-L454 HydrophobicContact CB-CD2 4.01Å; F416-L454 HydrophobicContact CB-CG 4.47Å; F416-L454 HydrophobicContact CD2-CD1 3.77Å; F416-L454 HydrophobicContact CG-CD1 4.14Å; A420-L454 HydrophobicContact CB-CD2 4.38Å; Y426-L454 HydrophobicContact CE2-CD2 4.28Å; Y426-L454 VanDerWaalsContact OH-C 3.25Å; Y426-L454 WeakPolarHBondContact OH-CA 3.5Å; Y426-L454 WeakPolarHBondContact OH-CB 3.43Å; Y426-L454 PolarHBondContact OH-O 3Å; Y430-L454 WeakPolarHBondContact CE2-O 3.33Å; L437-L454 HydrophobicContact CD1-CB 4.25Å; L437-L454 HydrophobicContact CD2-CD1 4.12Å; L451-L454 HydrophobicContact CD2-CD1 4.39Å; L451-L454 WeakPolarHBondContact O-CB 3.46Å; L451-L454 PolarHBondContact O-N 3.41Å; L451-L454 VanDerWaalsContact O-N 3.16Å; S452-L454 PolarHBondContact O-N 2.75Å; L454-R456 PolarHBondContact O-NH1 2.91Å
455L98.4Very high96.8Very high0 Ų058.6 Ų58.60%030%0.299CS..  trans-68.5142.7-179.2-62.5172.5000111.7K438 I441 S452 Y457 S468 L469 L525K438-L455 HydrophobicContact CG-CD2 3.97Å; I441-L455 HydrophobicContact CD1-CD1 4.43Å; I441-L455 HydrophobicContact CG1-CD1 4.33Å; I441-L455 HydrophobicContact CG1-CD2 4.42Å; S452-L455 PolarHBondContact O-N 3.01Å; L455-Y457 HydrophobicContact CB-CD2 4.36Å; L455-Y457 HydrophobicContact CB-CE2 3.6Å; L455-Y457 HydrophobicContact CD1-CE2 4.12Å; L455-Y457 HydrophobicContact CG-CE2 4.35Å; L455-S468 WeakPolarHBondContact O-CA 2.94Å; L455-L469 HydrophobicContact CD1-CD1 4.33Å; L455-L525 HydrophobicContact CD1-CD2 3.87Å
456R98.3Very high96.8Very high42 Ų4258.4 Ų58.416%0.15829%0.29CS..EExtended strand (participates in β ladder)trans-133.5135.1175.5-58.9-68.1179.7-85.50.4110Y426 Y430 E453 L454 M466 T467 S468Y426-R456 HydrophobicContact CD1-CG 4.36Å; Y426-R456 HydrophobicContact CE1-CG 3.71Å; Y430-R456 HydrophobicContact CD1-CB 3.98Å; Y430-R456 HydrophobicContact CD1-CG 4.5Å; Y430-R456 HydrophobicContact CD2-CB 4.35Å; Y430-R456 HydrophobicContact CD2-CG 4.22Å; Y430-R456 HydrophobicContact CE1-CB 3.68Å; Y430-R456 VanDerWaalsContact CE1-O 3.3Å; Y430-R456 WeakPolarHBondContact CE1-O 3.43Å; Y430-R456 HydrophobicContact CE2-CB 4.1Å; Y430-R456 HydrophobicContact CE2-CG 4.29Å; Y430-R456 HydrophobicContact CG-CB 4.3Å; Y430-R456 HydrophobicContact CG-CG 4.34Å; Y430-R456 VanDerWaalsContact CZ-N 3.28Å; Y430-R456 VanDerWaalsContact CZ-O 3.26Å; Y430-R456 PolarHBondContact OH-N 3.15Å; Y430-R456 PolarHBondContact OH-O 2.53Å; E453-R456 PolarHBondContact O-NH1 2.74Å; L454-R456 PolarHBondContact O-NH1 2.91Å; R456-M466 HydrophobicContact CB-CB 3.91Å; R456-M466 HydrophobicContact CB-SD 4.23Å; R456-T467 WeakPolarHBondContact CA-O 3.39Å; R456-S468 VanDerWaalsContact NH1-CB 3.33Å
457Y98.4Very high96.8Very high7 Ų753.2 Ų53.23%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-141.4154.3-177.2-63-76.3000110.9L455 M466 T467 L469 V511 M513L455-Y457 HydrophobicContact CB-CD2 4.36Å; L455-Y457 HydrophobicContact CB-CE2 3.6Å; L455-Y457 HydrophobicContact CD1-CE2 4.12Å; L455-Y457 HydrophobicContact CG-CE2 4.35Å; Y457-M466 CarbonylContact O-C 3.51Å; Y457-M466 VanDerWaalsContact O-CA 3.29Å; Y457-M466 WeakPolarHBondContact O-CA 3.34Å; Y457-T467 PolarHBondContact N-O 3.15Å; Y457-T467 PolarHBondContact O-N 2.78Å; Y457-L469 HydrophobicContact CD2-CD2 4.19Å; Y457-L469 HydrophobicContact CE2-CD2 4.39Å; Y457-L469 HydrophobicContact CE2-CG 4.5Å; Y457-V511 VanDerWaalsContact CB-CG1 3.44Å; Y457-V511 HydrophobicContact CD1-CG1 4.3Å; Y457-V511 HydrophobicContact CD2-CG1 3.9Å; Y457-V511 HydrophobicContact CG-CG1 3.63Å; Y457-M513 HydrophobicContact CD1-CG 3.98Å; Y457-M513 HydrophobicContact CE1-CE 4.33Å; Y457-M513 HydrophobicContact CE1-CG 3.9Å; Y457-M513 HydrophobicContact CE2-CE 4.36Å
458H98.3Very high96.8Very high37 Ų3752 Ų5217%0.17125%0.252CS..EExtended strand (participates in β ladder)trans-74148.9163.7-64.7-67.2000110D464 E465 M466 K491 Y512H458-D464 PolarHBondContact CE1-O 3.29Å; H458-E465 PolarHBondContact ND1-O 3.28Å; H458-E465 VanDerWaalsContact ND1-O 3.15Å; H458-M466 VanDerWaalsContact CE1-CG 3.49Å; H458-M466 WeakPolarHBondContact CE1-CG 3.49Å; H458-M466 WeakPolarHBondContact NE2-CE 3.18Å; H458-K491 HydrophobicContact CB-CD 4.47Å; H458-Y512 HydrophobicContact CB-CD2 4.13Å; H458-Y512 PolarHBondContact O-N 3.09Å
459T98.2Very high96.8Very high4 Ų450 Ų503%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-129.6171.1175.472.40000111.4Q461 S462 T467 Y472 E509 V510 V511 Y512T459-Q461 PolarHBondContact O-N 2.91Å; T459-Q461 PolarHBondContact OG1-N 3.14Å; T459-S462 PolarHBondContact N-OG 2.95Å; T459-S462 PolarHBondContact O-N 2.98Å; T459-S462 WeakPolarHBondContact OG1-CB 3.14Å; T459-S462 PolarHBondContact OG1-N 3.25Å; T459-S462 VanDerWaalsContact OG1-N 3.14Å; T459-S462 PolarHBondContact OG1-OG 2.79Å; T459-T467 HydrophobicContact CG2-CG2 3.35Å; T459-Y472 HydrophobicContact CG2-CD2 4.42Å; T459-E509 WeakPolarHBondContact CB-OE1 3.34Å; T459-E509 HydrophobicContact CG2-CG 4.31Å; T459-E509 VanDerWaalsContact CG2-OE1 3.3Å; T459-E509 WeakPolarHBondContact CG2-OE1 3.45Å; T459-E509 PolarHBondContact OG1-OE1 3.31Å; T459-V510 CarbonylContact C-O 3.48Å; T459-V510 WeakPolarHBondContact CA-O 3.37Å; T459-V510 WeakPolarHBondContact CB-O 3.43Å; T459-V511 HydrophobicContact CG2-CG2 4.3Å; T459-Y512 WeakPolarHBondContact O-CE2 3.49Å
460S97.3Very high96.9Very high26 Ų2643.6 Ų43.618%0.18223%0.228CC..THydrogen-bonded Turntrans-63.8-13.9173.964.10000114.7E509 V510 Y512S460-E509 WeakPolarHBondContact OG-CA 3.47Å; S460-V510 PolarHBondContact N-O 2.67Å; S460-V510 PolarHBondContact OG-N 3.2Å; S460-Y512 WeakPolarHBondContact CA-OH 3.4Å; S460-Y512 WeakPolarHBondContact CB-OH 3.25Å
461Q96.4Very high96.9Very high126 Ų12641.8 Ų41.859%0.58923%0.225SC*.THydrogen-bonded Turntrans-109.8-21.8-179.9-60.1-61.7-35.300113.2T459 E509T459-Q461 PolarHBondContact O-N 2.91Å; T459-Q461 PolarHBondContact OG1-N 3.14Å; Q461-E509 HydrophobicContact CB-CG 4.17Å; Q461-E509 HydrophobicContact CG-CB 4.03Å; Q461-E509 HydrophobicContact CG-CG 3.78Å
462S93.8Very high96.9Very high29 Ų2941.9 Ų41.920%0.20323%0.225CC..THydrogen-bonded Turntrans-84.8-8.6-172.673.20000115T459 D464 E465T459-S462 PolarHBondContact N-OG 2.95Å; T459-S462 PolarHBondContact O-N 2.98Å; T459-S462 WeakPolarHBondContact OG1-CB 3.14Å; T459-S462 PolarHBondContact OG1-N 3.25Å; T459-S462 VanDerWaalsContact OG1-N 3.14Å; T459-S462 PolarHBondContact OG1-OG 2.79Å; S462-D464 PolarHBondContact O-N 3.48Å; S462-E465 VanDerWaalsContact CB-O 3.26Å; S462-E465 WeakPolarHBondContact CB-O 3.48Å; S462-E465 PolarHBondContact O-N 2.76Å; S462-E465 VanDerWaalsContact O-N 3.16Å; S462-E465 PolarHBondContact OG-O 2.82Å
463G91.3Very high96.9Very high44 Ų4443.2 Ų43.245%0.45423%0.233SC..THydrogen-bonded Turntrans61.1-125-174.900000111.3K491G463-K491 PolarHBondContact O-NZ 3.06Å
464D93Very high96.9Very high144 Ų14443.9 Ų43.977%0.7725%0.247SC*.THydrogen-bonded Turntrans-901.6179.3-64.9-35.4000114.4H458 S462 K491H458-D464 PolarHBondContact CE1-O 3.29Å; S462-D464 PolarHBondContact O-N 3.48Å; D464-K491 IonicContact OD1-NZ 2.79Å; D464-K491 PolarHBondContact OD1-NZ 3.22Å
465E95.2Very high96.8Very high104 Ų10448.8 Ų48.849%0.48627%0.265SS..SBendtrans-88.3143.1172.8-164.6170.9-17600110.2K423 H458 S462K423-E465 WeakPolarHBondContact CE-OE1 3.33Å; K423-E465 IonicContact NZ-OE1 3.4Å; K423-E465 PolarHBondContact NZ-OE1 3.02Å; H458-E465 PolarHBondContact ND1-O 3.28Å; H458-E465 VanDerWaalsContact ND1-O 3.15Å; S462-E465 VanDerWaalsContact CB-O 3.26Å; S462-E465 WeakPolarHBondContact CB-O 3.48Å; S462-E465 PolarHBondContact O-N 2.76Å; S462-E465 VanDerWaalsContact O-N 3.16Å; S462-E465 PolarHBondContact OG-O 2.82Å
466M96.7Very high96.7Very high77 Ų7750 Ų5038%0.37927%0.271SS..  trans-90143.3169-63-172.6-172.200110Y430 R456 Y457 H458Y430-M466 HydrophobicContact CD1-SD 4.02Å; Y430-M466 HydrophobicContact CE1-SD 3.85Å; R456-M466 HydrophobicContact CB-CB 3.91Å; R456-M466 HydrophobicContact CB-SD 4.23Å; Y457-M466 CarbonylContact O-C 3.51Å; Y457-M466 VanDerWaalsContact O-CA 3.29Å; Y457-M466 WeakPolarHBondContact O-CA 3.34Å; H458-M466 VanDerWaalsContact CE1-CG 3.49Å; H458-M466 WeakPolarHBondContact CE1-CG 3.49Å; H458-M466 WeakPolarHBondContact NE2-CE 3.18Å
467T97.4Very high96.6Very high10 Ų1052.3 Ų52.36%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-126.5153.9-179.9-1770000110.1R456 Y457 T459 E471 R475R456-T467 WeakPolarHBondContact CA-O 3.39Å; Y457-T467 PolarHBondContact N-O 3.15Å; Y457-T467 PolarHBondContact O-N 2.78Å; T459-T467 HydrophobicContact CG2-CG2 3.35Å; T467-E471 VanDerWaalsContact CA-OE2 3.3Å; T467-E471 WeakPolarHBondContact CA-OE2 3.29Å; T467-E471 WeakPolarHBondContact CB-OE2 3.19Å; T467-E471 WeakPolarHBondContact OG1-CB 3.31Å; T467-E471 PolarHBondContact OG1-OE2 3.26Å; T467-R475 PolarHBondContact OG1-NH2 2.87Å
468S97.9Very high96.3Very high6 Ų661.8 Ų61.84%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-77.1162.8175.4650000112.4L455 R456 S470 E471 Y472L455-S468 WeakPolarHBondContact O-CA 2.94Å; R456-S468 VanDerWaalsContact NH1-CB 3.33Å; S468-S470 VanDerWaalsContact C-N 3.31Å; S468-S470 PolarHBondContact OG-OG 2.97Å; S468-E471 PolarHBondContact N-OE2 3.03Å; S468-E471 PolarHBondContact O-N 3.39Å; S468-E471 VanDerWaalsContact OG-CB 3.26Å; S468-E471 WeakPolarHBondContact OG-CB 3.46Å; S468-E471 WeakPolarHBondContact OG-CG 3.46Å; S468-E471 PolarHBondContact OG-N 2.82Å; S468-E471 VanDerWaalsContact OG-N 3.11Å; S468-E471 PolarHBondContact OG-OE2 3.06Å; S468-E471 VanDerWaalsContact OG-OE2 3.07Å; S468-Y472 PolarHBondContact O-N 3.09Å
469L98Very high96Very high3 Ų364.2 Ų64.22%0.01634%0.344CS..Hα-helixtrans-68.3-31173.2-65.5178.4000112.2L455 Y457 Y472 V473 V511 L525 F528L455-L469 HydrophobicContact CD1-CD1 4.33Å; Y457-L469 HydrophobicContact CD2-CD2 4.19Å; Y457-L469 HydrophobicContact CE2-CD2 4.39Å; Y457-L469 HydrophobicContact CE2-CG 4.5Å; L469-Y472 WeakPolarHBondContact O-CB 3.5Å; L469-Y472 PolarHBondContact O-N 3.01Å; L469-V473 VanDerWaalsContact O-CG2 3.3Å; L469-V473 WeakPolarHBondContact O-CG2 3.46Å; L469-V473 PolarHBondContact O-N 3.01Å; L469-V511 HydrophobicContact CD2-CG2 4.44Å; L469-L525 HydrophobicContact CD1-CD2 3.82Å; L469-F528 VanDerWaalsContact C-CE1 3.44Å; L469-F528 HydrophobicContact CB-CD1 3.64Å; L469-F528 HydrophobicContact CB-CD2 4.11Å; L469-F528 HydrophobicContact CB-CE1 3.46Å; L469-F528 VanDerWaalsContact CB-CE1 3.46Å; L469-F528 HydrophobicContact CB-CE2 3.94Å; L469-F528 HydrophobicContact CB-CG 3.97Å; L469-F528 HydrophobicContact CB-CZ 3.62Å; L469-F528 HydrophobicContact CD1-CB 4.44Å; L469-F528 HydrophobicContact CD1-CD1 4.48Å; L469-F528 HydrophobicContact CD1-CD2 3.85Å; L469-F528 HydrophobicContact CD1-CE2 4.24Å; L469-F528 HydrophobicContact CD1-CG 3.98Å
470S97.4Very high95.7Very high54 Ų5464.3 Ų64.338%0.37834%0.344SS..Hα-helixtrans-67.3-41.5174.851.10000111.8S468 Y472 V473 S474S468-S470 VanDerWaalsContact C-N 3.31Å; S468-S470 PolarHBondContact OG-OG 2.97Å; S470-Y472 VanDerWaalsContact C-N 3.35Å; S470-Y472 PolarHBondContact O-N 3.16Å; S470-V473 PolarHBondContact O-N 3.48Å; S470-S474 PolarHBondContact O-N 2.9Å
471E97.5Very high95.5Very high74 Ų7471.2 Ų71.235%0.34637%0.371SS..Hα-helixtrans-61.2-41.2171.2-78.9172.7144.300111.9T467 S468 S474 R475T467-E471 VanDerWaalsContact CA-OE2 3.3Å; T467-E471 WeakPolarHBondContact CA-OE2 3.29Å; T467-E471 WeakPolarHBondContact CB-OE2 3.19Å; T467-E471 WeakPolarHBondContact OG1-CB 3.31Å; T467-E471 PolarHBondContact OG1-OE2 3.26Å; S468-E471 PolarHBondContact N-OE2 3.03Å; S468-E471 PolarHBondContact O-N 3.39Å; S468-E471 VanDerWaalsContact OG-CB 3.26Å; S468-E471 WeakPolarHBondContact OG-CB 3.46Å; S468-E471 WeakPolarHBondContact OG-CG 3.46Å; S468-E471 PolarHBondContact OG-N 2.82Å; S468-E471 VanDerWaalsContact OG-N 3.11Å; S468-E471 PolarHBondContact OG-OE2 3.06Å; S468-E471 VanDerWaalsContact OG-OE2 3.07Å; E471-S474 PolarHBondContact O-N 3.34Å; E471-S474 PolarHBondContact O-OG 3.17Å; E471-R475 VanDerWaalsContact O-CZ 3.28Å; E471-R475 PolarHBondContact O-N 2.82Å; E471-R475 PolarHBondContact O-NH1 3.36Å
472Y98.2Very high95.5Very high2 Ų265.8 Ų65.81%0.00835%0.347CS..Hα-helixtrans-58-49.3171.4178.9-77.7000111.3T459 S468 L469 S470 S474 R475 M476 Q480 I483 Y484 E509 V511T459-Y472 HydrophobicContact CG2-CD2 4.42Å; S468-Y472 PolarHBondContact O-N 3.09Å; L469-Y472 WeakPolarHBondContact O-CB 3.5Å; L469-Y472 PolarHBondContact O-N 3.01Å; S470-Y472 VanDerWaalsContact C-N 3.35Å; S470-Y472 PolarHBondContact O-N 3.16Å; Y472-S474 VanDerWaalsContact C-N 3.25Å; Y472-S474 PolarHBondContact O-N 2.94Å; Y472-R475 CarbonylContact O-C 3.5Å; Y472-R475 PolarHBondContact O-N 2.91Å; Y472-M476 HydrophobicContact CD1-CG 3.86Å; Y472-M476 HydrophobicContact CD1-SD 4.17Å; Y472-M476 HydrophobicContact CE1-CG 3.64Å; Y472-M476 HydrophobicContact CE1-SD 4Å; Y472-M476 PolarHBondContact O-N 2.68Å; Y472-M476 VanDerWaalsContact O-N 3.15Å; Y472-Q480 PolarHBondContact OH-NE2 3.22Å; Y472-I483 HydrophobicContact CD1-CB 4.39Å; Y472-I483 HydrophobicContact CD1-CD1 4.48Å; Y472-I483 HydrophobicContact CD1-CG1 3.92Å; Y472-I483 HydrophobicContact CD1-CG2 4Å; Y472-I483 HydrophobicContact CE1-CB 3.89Å; Y472-I483 HydrophobicContact CE1-CG1 3.74Å; Y472-I483 HydrophobicContact CE1-CG2 3.68Å; Y472-I483 HydrophobicContact CE2-CG2 4.4Å; Y472-Y484 PolarHBondContact OH-N 3.23Å; Y472-E509 HydrophobicContact CD2-CB 4.17Å; Y472-E509 HydrophobicContact CD2-CG 3.79Å; Y472-E509 HydrophobicContact CE2-CB 3.64Å; Y472-E509 HydrophobicContact CE2-CG 3.64Å; Y472-E509 WeakPolarHBondContact CE2-O 3.44Å; Y472-E509 PolarHBondContact OH-O 3.34Å; Y472-V511 HydrophobicContact CD2-CG2 3.71Å; Y472-V511 HydrophobicContact CE2-CG2 3.77Å; Y472-V511 HydrophobicContact CG-CG2 4.44Å
473V97.6Very high95.7Very high33 Ų3364.5 Ų64.520%0.234%0.338CS..Hα-helixtrans-59.1-38.5-180171.30000111.2L469 S470 R475 M476 I483 F528 D529L469-V473 VanDerWaalsContact O-CG2 3.3Å; L469-V473 WeakPolarHBondContact O-CG2 3.46Å; L469-V473 PolarHBondContact O-N 3.01Å; S470-V473 PolarHBondContact O-N 3.48Å; V473-R475 PolarHBondContact O-N 2.7Å; V473-M476 HydrophobicContact CB-SD 4.19Å; V473-M476 HydrophobicContact CG1-SD 4.26Å; V473-M476 HydrophobicContact CG2-SD 3.92Å; V473-M476 WeakPolarHBondContact O-CB 3.2Å; V473-M476 PolarHBondContact O-N 3.47Å; V473-I483 HydrophobicContact CG2-CD1 4.1Å; V473-F528 HydrophobicContact CG2-CD1 3.96Å; V473-F528 HydrophobicContact CG2-CE1 4.15Å; V473-D529 HydrophobicContact CG2-CB 4.49Å
474S97.4Very high96Very high95 Ų9562.6 Ų62.666%0.66432%0.317SS*.Hα-helixtrans-63.8-22.1176.479.40000114.3S470 E471 Y472S470-S474 PolarHBondContact O-N 2.9Å; E471-S474 PolarHBondContact O-N 3.34Å; E471-S474 PolarHBondContact O-OG 3.17Å; Y472-S474 VanDerWaalsContact C-N 3.25Å; Y472-S474 PolarHBondContact O-N 2.94Å
475R97Very high96.3Very high107 Ų10756.7 Ų56.740%0.40428%0.284SS..THydrogen-bonded Turntrans-102.20.1178.1-65.5-174.6-63.8-89.13.1113.6T467 E471 Y472 V473 E509T467-R475 PolarHBondContact OG1-NH2 2.87Å; E471-R475 VanDerWaalsContact O-CZ 3.28Å; E471-R475 PolarHBondContact O-N 2.82Å; E471-R475 PolarHBondContact O-NH1 3.36Å; Y472-R475 CarbonylContact O-C 3.5Å; Y472-R475 PolarHBondContact O-N 2.91Å; V473-R475 PolarHBondContact O-N 2.7Å; R475-E509 IonicContact CZ-OE1 3.31Å; R475-E509 IonicContact CZ-OE2 3.96Å; R475-E509 IonicContact NE-OE1 3.33Å; R475-E509 IonicContact NE-OE2 2.68Å; R475-E509 PolarHBondContact NE-OE2 3.23Å; R475-E509 IonicContact NH2-OE1 3.26Å; R475-E509 PolarHBondContact NH2-OE1 3.02Å; R475-E509 IonicContact NH2-OE2 3.63Å
476M96.5Very high96.4Very high27 Ų2751.9 Ų51.913%0.13326%0.262CS..  trans-62.2139.7177.5-74.1176.772.700110.6Y472 V473 Q480 I483 K531Y472-M476 HydrophobicContact CD1-CG 3.86Å; Y472-M476 HydrophobicContact CD1-SD 4.17Å; Y472-M476 HydrophobicContact CE1-CG 3.64Å; Y472-M476 HydrophobicContact CE1-SD 4Å; Y472-M476 PolarHBondContact O-N 2.68Å; Y472-M476 VanDerWaalsContact O-N 3.15Å; V473-M476 HydrophobicContact CB-SD 4.19Å; V473-M476 HydrophobicContact CG1-SD 4.26Å; V473-M476 HydrophobicContact CG2-SD 3.92Å; V473-M476 WeakPolarHBondContact O-CB 3.2Å; V473-M476 PolarHBondContact O-N 3.47Å; M476-Q480 HydrophobicContact CB-CB 4.37Å; M476-Q480 HydrophobicContact CE-CB 4.07Å; M476-Q480 HydrophobicContact CE-CG 3.66Å; M476-Q480 WeakPolarHBondContact CE-O 3.43Å; M476-I483 HydrophobicContact SD-CG1 4.32Å; M476-K531 HydrophobicContact CE-CB 4.38Å; M476-K531 HydrophobicContact CE-CD 3.91Å; M476-K531 HydrophobicContact CE-CG 3.98Å; M476-K531 HydrophobicContact SD-CD 4.38Å; M476-K531 HydrophobicContact SD-CG 3.95Å
477K94.7Very high96.5Very high90 Ų9048.7 Ų48.739%0.39125%0.247SC..  trans-66.6154172.7-62-171.1176178.40110.5T479 Q480 R506 G507 F508K477-T479 PolarHBondContact O-N 3.44Å; K477-T479 VanDerWaalsContact O-N 3.15Å; K477-Q480 HydrophobicContact CB-CB 4.17Å; K477-Q480 WeakPolarHBondContact O-CB 3.28Å; K477-Q480 PolarHBondContact O-N 2.9Å; K477-R506 PolarHBondContact NZ-O 2.96Å; K477-G507 WeakPolarHBondContact CE-O 3.38Å; K477-G507 PolarHBondContact NZ-O 3.5Å; K477-F508 HydrophobicContact CB-CE1 4.17Å; K477-F508 HydrophobicContact CD-CD1 4.03Å; K477-F508 HydrophobicContact CD-CE1 3.68Å; K477-F508 HydrophobicContact CD-CZ 4.41Å; K477-F508 HydrophobicContact CG-CD1 4.36Å; K477-F508 HydrophobicContact CG-CE1 4.17Å
478E92.2Very high96.4Very high205 Ų20548.5 Ų48.596%0.95825%0.246SC*.THydrogen-bonded Turntrans-57.6-32.2177.1-61.5-179.1173.600112.9Q480E478-Q480 VanDerWaalsContact C-N 3.31Å
479T91.5Very high96.2Very high89 Ų8953.1 Ų53.155%0.54627%0.267SS..THydrogen-bonded Turntrans-82-7.917756.90000113.7K477K477-T479 PolarHBondContact O-N 3.44Å; K477-T479 VanDerWaalsContact O-N 3.15Å
480Q93.4Very high96.1Very high5 Ų555.3 Ų55.32%0.02328%0.283CS..  trans-87.3117.5-175.9-166.4-177.5-1800110.9Y472 M476 K477 E478 S482 Y484 F508Y472-Q480 PolarHBondContact OH-NE2 3.22Å; M476-Q480 HydrophobicContact CB-CB 4.37Å; M476-Q480 HydrophobicContact CE-CB 4.07Å; M476-Q480 HydrophobicContact CE-CG 3.66Å; M476-Q480 WeakPolarHBondContact CE-O 3.43Å; K477-Q480 HydrophobicContact CB-CB 4.17Å; K477-Q480 WeakPolarHBondContact O-CB 3.28Å; K477-Q480 PolarHBondContact O-N 2.9Å; E478-Q480 VanDerWaalsContact C-N 3.31Å; Q480-S482 WeakPolarHBondContact CG-O 3.43Å; Q480-S482 PolarHBondContact NE2-O 2.87Å; Q480-Y484 HydrophobicContact CG-CD2 4.5Å; Q480-Y484 HydrophobicContact CG-CE2 3.9Å; Q480-F508 HydrophobicContact CB-CD1 4.39Å; Q480-F508 HydrophobicContact CB-CE1 4.07Å; Q480-F508 HydrophobicContact CG-CD1 4.16Å; Q480-F508 HydrophobicContact CG-CE1 4.23Å
481K92.6Very high96.1Very high172 Ų17255.4 Ų55.475%0.74828%0.277SS*.  trans-100.6-13.3-179.3-64-178.1-178.4175.50113.9
482S96.6Very high96Very high12 Ų1258.8 Ų58.88%0.08429%0.292CS..EExtended strand (participates in β ladder)trans-135.6152.6-173.653.60000112.5Q480 S532Q480-S482 WeakPolarHBondContact CG-O 3.43Å; Q480-S482 PolarHBondContact NE2-O 2.87Å; S482-S532 CarbonylContact C-O 3.59Å; S482-S532 WeakPolarHBondContact CA-O 3.29Å; S482-S532 WeakPolarHBondContact CB-O 3.47Å
483I97.8Very high95.9Very high1 Ų162.4 Ų62.41%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-83.8118.1170.4-60.1174.3000107.9Y472 V473 M476 V511 F528 K531 S532 L533 V534Y472-I483 HydrophobicContact CD1-CB 4.39Å; Y472-I483 HydrophobicContact CD1-CD1 4.48Å; Y472-I483 HydrophobicContact CD1-CG1 3.92Å; Y472-I483 HydrophobicContact CD1-CG2 4Å; Y472-I483 HydrophobicContact CE1-CB 3.89Å; Y472-I483 HydrophobicContact CE1-CG1 3.74Å; Y472-I483 HydrophobicContact CE1-CG2 3.68Å; Y472-I483 HydrophobicContact CE2-CG2 4.4Å; V473-I483 HydrophobicContact CG2-CD1 4.1Å; M476-I483 HydrophobicContact SD-CG1 4.32Å; I483-V511 HydrophobicContact CG2-CG2 3.97Å; I483-F528 HydrophobicContact CD1-CB 3.99Å; I483-F528 HydrophobicContact CD1-CD1 4.15Å; I483-F528 HydrophobicContact CD1-CG 4.47Å; I483-K531 HydrophobicContact CD1-CB 4.36Å; I483-K531 HydrophobicContact CG1-CB 4.12Å; I483-S532 PolarHBondContact N-O 3.39Å; I483-L533 HydrophobicContact CB-CG 4.22Å; I483-L533 HydrophobicContact CD1-CD1 4.27Å; I483-L533 HydrophobicContact CD1-CG 4.49Å; I483-L533 HydrophobicContact CG2-CG 4.48Å; I483-V534 PolarHBondContact O-N 3.33Å
484Y97.9Very high95.8Very high5 Ų561 Ų612%0.0230%0.301CS..EExtended strand (participates in β ladder)trans-86.9129.3177.7-60.4-68000110.3Y472 Q480 V503 F508 V510 V511 V534 V536 L541 E542 L543Y472-Y484 PolarHBondContact OH-N 3.23Å; Q480-Y484 HydrophobicContact CG-CD2 4.5Å; Q480-Y484 HydrophobicContact CG-CE2 3.9Å; Y484-V503 HydrophobicContact CD2-CG1 4.41Å; Y484-V503 HydrophobicContact CG-CG1 4.46Å; Y484-F508 HydrophobicContact CD2-CB 4.05Å; Y484-F508 HydrophobicContact CD2-CG 4.32Å; Y484-F508 HydrophobicContact CE2-CB 4.18Å; Y484-F508 HydrophobicContact CE2-CD1 4.15Å; Y484-F508 HydrophobicContact CE2-CD2 4.24Å; Y484-F508 AromaticContact CE2-CG 3.94Å; Y484-F508 HydrophobicContact CE2-CG 3.94Å; Y484-V510 WeakPolarHBondContact O-CA 3.32Å; Y484-V511 PolarHBondContact O-N 3.05Å; Y484-V534 WeakPolarHBondContact CA-O 3.2Å; Y484-V534 HydrophobicContact CD1-CB 4.4Å; Y484-V536 HydrophobicContact CD1-CG1 4.5Å; Y484-L541 HydrophobicContact CD1-CD1 3.84Å; Y484-L541 HydrophobicContact CE1-CD1 3.76Å; Y484-E542 PolarHBondContact OH-O 3.43Å; Y484-L543 HydrophobicContact CE1-CD2 3.96Å; Y484-L543 HydrophobicContact CE2-CD2 4.37Å
485Y98.2Very high95.8Very high19 Ų1957.4 Ų57.48%0.07528%0.277CS..EExtended strand (participates in β ladder)trans-138.1159.7178.775.5-87.4000112.2T487 V511 M513 V522 L533 V534 S535 V536Y485-T487 HydrophobicContact CD2-CG2 4.18Å; Y485-T487 HydrophobicContact CE2-CG2 4.03Å; Y485-V511 CarbonylContact C-O 3.57Å; Y485-V511 VanDerWaalsContact CA-O 3.31Å; Y485-V511 WeakPolarHBondContact CA-O 3.3Å; Y485-M513 HydrophobicContact CD2-CE 4.13Å; Y485-M513 HydrophobicContact CD2-SD 3.65Å; Y485-M513 HydrophobicContact CE2-SD 4.25Å; Y485-M513 HydrophobicContact CG-CE 4.15Å; Y485-M513 HydrophobicContact CG-SD 4.25Å; Y485-V522 HydrophobicContact CD2-CG1 4.37Å; Y485-V522 HydrophobicContact CE2-CB 4.16Å; Y485-V522 HydrophobicContact CE2-CG1 4.03Å; Y485-V522 HydrophobicContact CE2-CG2 4Å; Y485-L533 HydrophobicContact CD1-CB 4.01Å; Y485-L533 HydrophobicContact CE1-CB 3.82Å; Y485-V534 VanDerWaalsContact CD1-C 3.5Å; Y485-V534 WeakPolarHBondContact CD1-O 3.47Å; Y485-V534 PolarHBondContact N-O 3.13Å; Y485-V534 VanDerWaalsContact N-O 3.1Å; Y485-S535 WeakPolarHBondContact O-CA 3.42Å; Y485-V536 WeakPolarHBondContact O-CG2 3.41Å; Y485-V536 PolarHBondContact O-N 2.83Å
486I98.2Very high95.7Very high3 Ų358.1 Ų58.12%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-136.4135.3172.9-174.2165.5000109.8V494 F499 V500 V510 V511 Y512 M513 V536 T537I486-V494 HydrophobicContact CD1-CB 4.04Å; I486-V494 HydrophobicContact CD1-CG1 4.27Å; I486-V494 HydrophobicContact CG1-CB 4.08Å; I486-V494 HydrophobicContact CG1-CG1 4.02Å; I486-V494 HydrophobicContact CG2-CB 3.71Å; I486-V494 HydrophobicContact CG2-CG1 4.33Å; I486-V494 HydrophobicContact CG2-CG2 4.13Å; I486-F499 HydrophobicContact CD1-CB 4.14Å; I486-F499 HydrophobicContact CD1-CD2 4.42Å; I486-V500 HydrophobicContact CB-CG1 4.45Å; I486-V500 HydrophobicContact CD1-CG1 4.06Å; I486-V500 HydrophobicContact CG2-CG1 4.13Å; I486-V510 HydrophobicContact CB-CG1 4.34Å; I486-V510 HydrophobicContact CG2-CG1 3.81Å; I486-V511 PolarHBondContact N-O 2.93Å; I486-Y512 HydrophobicContact CG2-CD1 3.52Å; I486-Y512 HydrophobicContact CG2-CE1 4.01Å; I486-M513 PolarHBondContact O-N 3.45Å; I486-V536 HydrophobicContact CB-CG2 3.65Å; I486-V536 HydrophobicContact CD1-CG2 3.97Å; I486-V536 HydrophobicContact CG1-CG2 4.02Å; I486-T537 HydrophobicContact CD1-CG2 4.21Å; I486-T537 HydrophobicContact CG1-CG2 3.9Å
487T97.8Very high95.7Very high11 Ų1157.8 Ų57.87%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-103.4146.7172.654.30000110.3Y485 M513 E519Y485-T487 HydrophobicContact CD2-CG2 4.18Å; Y485-T487 HydrophobicContact CE2-CG2 4.03Å; T487-M513 CarbonylContact C-O 3.53Å; T487-M513 VanDerWaalsContact CA-O 3.31Å; T487-M513 WeakPolarHBondContact CA-O 3.44Å; T487-M513 HydrophobicContact CG2-CB 3.8Å; T487-M513 HydrophobicContact CG2-SD 4.03Å; T487-E519 VanDerWaalsContact CB-OE1 3.22Å; T487-E519 WeakPolarHBondContact CB-OE1 3.33Å; T487-E519 HydrophobicContact CG2-CG 4.29Å; T487-E519 PolarHBondContact OG1-OE1 2.86Å
488G95.7Very high95.8Very high5 Ų554.4 Ų54.45%0.05228%0.278CS..  trans-173.7-169.7176.500000112.8M513 T514G488-M513 PolarHBondContact N-O 3.27Å; G488-T514 WeakPolarHBondContact O-CA 3.47Å
489E94.6Very high96Very high103 Ų10345 Ų4548%0.48123%0.234SC..SBendtrans-82.9-31.7-175.2-61.8-173.7126.200113.2Q493 R604E489-Q493 PolarHBondContact OE2-NE2 2.66Å; E489-R604 WeakPolarHBondContact OE1-CD 3.36Å; E489-R604 IonicContact OE1-CZ 2.67Å; E489-R604 VanDerWaalsContact OE1-CZ 3.26Å; E489-R604 IonicContact OE1-NE 3.54Å; E489-R604 PolarHBondContact OE1-NE 3.17Å; E489-R604 IonicContact OE1-NH1 2.75Å; E489-R604 PolarHBondContact OE1-NH1 2.75Å
490S96.2Very high96.3Very high50 Ų5040.8 Ų40.835%0.3521%0.208SC..  trans-149157.7-179.179.10000111.8E492 Q493 V494S490-E492 VanDerWaalsContact C-N 3.27Å; S490-E492 PolarHBondContact O-N 3.23Å; S490-Q493 PolarHBondContact O-N 2.97Å; S490-Q493 WeakPolarHBondContact OG-CB 3.49Å; S490-Q493 PolarHBondContact OG-N 2.88Å; S490-Q493 VanDerWaalsContact OG-N 3.15Å; S490-V494 WeakPolarHBondContact O-CG2 3.46Å; S490-V494 PolarHBondContact O-N 2.8Å
491K96.1Very high96.4Very high55 Ų5542.4 Ų42.424%0.23922%0.216CC..Hα-helixtrans-58-41.5176.8-177.5-178177.6179.70111.4H458 G463 D464 V494 A495 Y512 T514H458-K491 HydrophobicContact CB-CD 4.47Å; G463-K491 PolarHBondContact O-NZ 3.06Å; D464-K491 IonicContact OD1-NZ 2.79Å; D464-K491 PolarHBondContact OD1-NZ 3.22Å; K491-V494 WeakPolarHBondContact O-CG2 3.29Å; K491-A495 WeakPolarHBondContact O-CB 3.49Å; K491-A495 PolarHBondContact O-N 3.5Å; K491-Y512 HydrophobicContact CG-CD2 4.44Å; K491-T514 HydrophobicContact CB-CG2 4.25Å
492E95.9Very high96.5Very high145 Ų14536.3 Ų36.368%0.67819%0.188SC*.Hα-helixtrans-66-43.9-179.7-173.5175.6-173.700112.1S490 V494 A495 N496S490-E492 VanDerWaalsContact C-N 3.27Å; S490-E492 PolarHBondContact O-N 3.23Å; E492-V494 PolarHBondContact O-N 3.03Å; E492-A495 PolarHBondContact O-N 3.44Å; E492-N496 WeakPolarHBondContact O-CB 3.39Å; E492-N496 PolarHBondContact O-N 3.47Å; E492-N496 PolarHBondContact O-ND2 2.98Å
493Q95.9Very high96.4Very high79 Ų7935.7 Ų35.737%0.36918%0.184SC..Hα-helixtrans-58.3-50.6177.7-178.8-170.460.200111E489 S490 N496 S497E489-Q493 PolarHBondContact OE2-NE2 2.66Å; S490-Q493 PolarHBondContact O-N 2.97Å; S490-Q493 WeakPolarHBondContact OG-CB 3.49Å; S490-Q493 PolarHBondContact OG-N 2.88Å; S490-Q493 VanDerWaalsContact OG-N 3.15Å; Q493-N496 PolarHBondContact O-N 3.26Å; Q493-S497 PolarHBondContact O-N 2.75Å
494V96.6Very high96.3Very high3 Ų340 Ų402%0.01820%0.2CC..Hα-helixtrans-73.8-29.6-178.2-59.20000112.6I486 S490 K491 E492 N496 S497 Y512I486-V494 HydrophobicContact CD1-CB 4.04Å; I486-V494 HydrophobicContact CD1-CG1 4.27Å; I486-V494 HydrophobicContact CG1-CB 4.08Å; I486-V494 HydrophobicContact CG1-CG1 4.02Å; I486-V494 HydrophobicContact CG2-CB 3.71Å; I486-V494 HydrophobicContact CG2-CG1 4.33Å; I486-V494 HydrophobicContact CG2-CG2 4.13Å; S490-V494 WeakPolarHBondContact O-CG2 3.46Å; S490-V494 PolarHBondContact O-N 2.8Å; K491-V494 WeakPolarHBondContact O-CG2 3.29Å; E492-V494 PolarHBondContact O-N 3.03Å; V494-N496 VanDerWaalsContact C-N 3.3Å; V494-N496 PolarHBondContact O-N 3.04Å; V494-S497 WeakPolarHBondContact O-CB 3.48Å; V494-S497 PolarHBondContact O-N 3.21Å; V494-Y512 HydrophobicContact CB-CD1 4.34Å; V494-Y512 HydrophobicContact CG2-CD1 3.55Å; V494-Y512 HydrophobicContact CG2-CE1 4.31Å; V494-Y512 HydrophobicContact CG2-CG 3.86Å
495A96.4Very high96Very high20 Ų2046.5 Ų46.517%0.16523%0.229CC..Hα-helixtrans-70.5-26.6175.100000112.6K491 E492 R504K491-A495 WeakPolarHBondContact O-CB 3.49Å; K491-A495 PolarHBondContact O-N 3.5Å; E492-A495 PolarHBondContact O-N 3.44Å; A495-R504 PolarHBondContact O-NH1 2.96Å; A495-R504 PolarHBondContact O-NH2 3.24Å
496N95.9Very high95.8Very high122 Ų12248.4 Ų48.465%0.65224%0.236SC*.THydrogen-bonded Turntrans-100.38.5176.2-66.4-35.9000113E492 Q493 V494E492-N496 WeakPolarHBondContact O-CB 3.39Å; E492-N496 PolarHBondContact O-N 3.47Å; E492-N496 PolarHBondContact O-ND2 2.98Å; Q493-N496 PolarHBondContact O-N 3.26Å; V494-N496 VanDerWaalsContact C-N 3.3Å; V494-N496 PolarHBondContact O-N 3.04Å
497S96.6Very high95.6Very high19 Ų1950 Ų5013%0.13325%0.252CS..  trans-70.3139.3-178-175.40000112.6Q493 V494 F499 V500Q493-S497 PolarHBondContact O-N 2.75Å; V494-S497 WeakPolarHBondContact O-CB 3.48Å; V494-S497 PolarHBondContact O-N 3.21Å; S497-F499 PolarHBondContact O-N 3.32Å; S497-F499 VanDerWaalsContact O-N 3.09Å; S497-F499 VanDerWaalsContact OG-CD2 3.28Å; S497-F499 WeakPolarHBondContact OG-CD2 3.42Å; S497-F499 PolarHBondContact OG-N 2.85Å; S497-V500 VanDerWaalsContact O-CG2 3.22Å; S497-V500 WeakPolarHBondContact O-CG2 3.22Å; S497-V500 PolarHBondContact O-N 3.31Å; S497-V500 VanDerWaalsContact O-N 3.17Å
498A96.2Very high95.5Very high20 Ų2049.7 Ų49.717%0.16525%0.25CC..Hα-helixtrans-56.7-26.6174.100000112.9V500 E501 L584A498-V500 VanDerWaalsContact C-N 3.29Å; A498-V500 PolarHBondContact O-N 3.02Å; A498-E501 PolarHBondContact O-N 3.31Å; A498-L584 HydrophobicContact CB-CD2 3.99Å
499F97Very high95.6Very high7 Ų750.1 Ų50.13%0.03125%0.251CS..Hα-helixtrans-64.2-28.1179.9-71.5-63.9000114.6I486 S497 V503 V536 T537 C590 I591 V592I486-F499 HydrophobicContact CD1-CB 4.14Å; I486-F499 HydrophobicContact CD1-CD2 4.42Å; S497-F499 PolarHBondContact O-N 3.32Å; S497-F499 VanDerWaalsContact O-N 3.09Å; S497-F499 VanDerWaalsContact OG-CD2 3.28Å; S497-F499 WeakPolarHBondContact OG-CD2 3.42Å; S497-F499 PolarHBondContact OG-N 2.85Å; F499-V503 WeakPolarHBondContact O-CG2 3.3Å; F499-V536 HydrophobicContact CB-CB 4.24Å; F499-V536 HydrophobicContact CB-CG2 3.73Å; F499-V536 WeakPolarHBondContact CD1-O 3.35Å; F499-T537 HydrophobicContact CD2-CG2 3.85Å; F499-T537 HydrophobicContact CE2-CG2 3.98Å; F499-T537 HydrophobicContact CG-CG2 4.28Å; F499-T537 HydrophobicContact CZ-CG2 4.45Å; F499-C590 WeakPolarHBondContact CE1-SG 3.24Å; F499-C590 WeakPolarHBondContact CZ-SG 3.48Å; F499-I591 WeakPolarHBondContact CZ-O 3.22Å; F499-V592 HydrophobicContact CE1-CB 4.45Å; F499-V592 HydrophobicContact CE1-CG1 3.66Å; F499-V592 HydrophobicContact CZ-CG1 4.26Å
500V96.4Very high95.8Very high0 Ų045.2 Ų45.20%023%0.228CC..Hα-helixtrans-97.5-6.1-175.7-60.80000113.1I486 S497 A498 V503 R504 V510 V536I486-V500 HydrophobicContact CB-CG1 4.45Å; I486-V500 HydrophobicContact CD1-CG1 4.06Å; I486-V500 HydrophobicContact CG2-CG1 4.13Å; S497-V500 VanDerWaalsContact O-CG2 3.22Å; S497-V500 WeakPolarHBondContact O-CG2 3.22Å; S497-V500 PolarHBondContact O-N 3.31Å; S497-V500 VanDerWaalsContact O-N 3.17Å; A498-V500 VanDerWaalsContact C-N 3.29Å; A498-V500 PolarHBondContact O-N 3.02Å; V500-V503 PolarHBondContact O-N 3.01Å; V500-R504 WeakPolarHBondContact O-CB 3.28Å; V500-R504 VanDerWaalsContact O-CG 3.3Å; V500-R504 WeakPolarHBondContact O-CG 3.49Å; V500-R504 PolarHBondContact O-N 3.3Å; V500-V510 HydrophobicContact CB-CG2 4.44Å; V500-V510 HydrophobicContact CG1-CB 4.38Å; V500-V510 HydrophobicContact CG1-CG1 3.93Å; V500-V510 HydrophobicContact CG1-CG2 4.18Å; V500-V536 HydrophobicContact CG1-CG2 4.1Å
501E95.7Very high95.9Very high40 Ų4042.9 Ų42.919%0.18721%0.212CC..Hα-helixtrans-63.6-54.5-172.8-62.2-176.814200112.7A498 V503 R504 K505 V585 S586A498-E501 PolarHBondContact O-N 3.31Å; E501-V503 VanDerWaalsContact C-N 3.3Å; E501-V503 PolarHBondContact O-N 3.02Å; E501-R504 PolarHBondContact O-N 2.64Å; E501-K505 PolarHBondContact O-N 2.92Å; E501-V585 HydrophobicContact CB-CB 3.77Å; E501-V585 HydrophobicContact CB-CG2 3.59Å; E501-V585 WeakPolarHBondContact OE2-CA 3.32Å; E501-V585 WeakPolarHBondContact OE2-CB 3.42Å; E501-V585 PolarHBondContact OE2-N 2.63Å; E501-S586 WeakPolarHBondContact OE1-CB 3.44Å; E501-S586 PolarHBondContact OE1-OG 3.18Å; E501-S586 PolarHBondContact OE2-N 3.15Å
502R94.5Very high96Very high43 Ų4340.9 Ų40.916%0.16220%0.202CC..Hα-helixtrans-67.7-36178.1-17269.959.31690.9111.2R504 K505 R506 L543 N582 R583 L584 V585R502-R504 VanDerWaalsContact C-N 3.28Å; R502-R504 PolarHBondContact O-N 3.07Å; R502-K505 PolarHBondContact O-N 3.4Å; R502-K505 VanDerWaalsContact O-N 3.12Å; R502-R506 HydrophobicContact CG-CG 4.31Å; R502-R506 VanDerWaalsContact O-CG 3.31Å; R502-R506 WeakPolarHBondContact O-CG 3.23Å; R502-R506 PolarHBondContact O-N 3.4Å; R502-L543 HydrophobicContact CB-CD1 4.13Å; R502-L543 HydrophobicContact CG-CD1 3.8Å; R502-N582 WeakPolarHBondContact CB-O 3.46Å; R502-N582 WeakPolarHBondContact CD-O 3.42Å; R502-N582 WeakPolarHBondContact CG-O 3.47Å; R502-N582 PolarHBondContact NE-O 3.02Å; R502-R583 VanDerWaalsContact CB-C 3.45Å; R502-R583 WeakPolarHBondContact CB-O 3.33Å; R502-R583 PolarHBondContact N-O 3.47Å; R502-L584 PolarHBondContact NH2-O 3.16Å; R502-V585 HydrophobicContact CB-CG2 4.16Å
503V95.8Very high96.1Very high0 Ų034.1 Ų34.10%017%0.171CC..Hα-helixtrans-56.9-46177.4-170.60000110.1Y484 F499 V500 E501 R506 G507 F508 V510 V536 L541 L543Y484-V503 HydrophobicContact CD2-CG1 4.41Å; Y484-V503 HydrophobicContact CG-CG1 4.46Å; F499-V503 WeakPolarHBondContact O-CG2 3.3Å; V500-V503 PolarHBondContact O-N 3.01Å; E501-V503 VanDerWaalsContact C-N 3.3Å; E501-V503 PolarHBondContact O-N 3.02Å; V503-R506 PolarHBondContact O-N 2.75Å; V503-G507 PolarHBondContact O-N 2.99Å; V503-F508 HydrophobicContact CG1-CB 3.66Å; V503-F508 PolarHBondContact O-N 2.79Å; V503-V510 HydrophobicContact CB-CG2 4.04Å; V503-V510 HydrophobicContact CG1-CG2 3.42Å; V503-V510 VanDerWaalsContact CG1-CG2 3.42Å; V503-V536 HydrophobicContact CG2-CG1 4.08Å; V503-L541 HydrophobicContact CG2-CD2 4.07Å; V503-L543 HydrophobicContact CG2-CD1 4.13Å; V503-L543 HydrophobicContact CG2-CD2 4.12Å
504R94.5Very high96.2Very high92 Ų9232.5 Ų32.535%0.34717%0.167SC..Hα-helixtrans-67.7-41.1173-71.5175.9-177.81682.9113.3A495 V500 E501 R502 R506 G507 Y512A495-R504 PolarHBondContact O-NH1 2.96Å; A495-R504 PolarHBondContact O-NH2 3.24Å; V500-R504 WeakPolarHBondContact O-CB 3.28Å; V500-R504 VanDerWaalsContact O-CG 3.3Å; V500-R504 WeakPolarHBondContact O-CG 3.49Å; V500-R504 PolarHBondContact O-N 3.3Å; E501-R504 PolarHBondContact O-N 2.64Å; R502-R504 VanDerWaalsContact C-N 3.28Å; R502-R504 PolarHBondContact O-N 3.07Å; R504-R506 PolarHBondContact O-N 3.35Å; R504-G507 VanDerWaalsContact O-CA 3.31Å; R504-G507 WeakPolarHBondContact O-CA 3.39Å; R504-G507 PolarHBondContact O-N 2.83Å; R504-Y512 PolarHBondContact NH2-OH 3.47Å
505K93Very high96.2Very high141 Ų14134.4 Ų34.461%0.61318%0.175SC*.Hα-helixtrans-59.8-33.1174.9-82.6-161.7168.6179.60112.7E501 R502 G507 V585E501-K505 PolarHBondContact O-N 2.92Å; R502-K505 PolarHBondContact O-N 3.4Å; R502-K505 VanDerWaalsContact O-N 3.12Å; K505-G507 PolarHBondContact O-N 3.44Å; K505-V585 HydrophobicContact CD-CG1 4.01Å; K505-V585 HydrophobicContact CD-CG2 3.8Å; K505-V585 VanDerWaalsContact CE-CG1 3.46Å; K505-V585 HydrophobicContact CG-CG2 4.34Å
506R92.2Very high96.1Very high59 Ų5936.9 Ų36.922%0.22319%0.19CC..THydrogen-bonded Turntrans-78-2.6172.4-66.2-68.1-169.4-159.7-1.9113K477 R502 V503 R504 F508 E549K477-R506 PolarHBondContact NZ-O 2.96Å; R502-R506 HydrophobicContact CG-CG 4.31Å; R502-R506 VanDerWaalsContact O-CG 3.31Å; R502-R506 WeakPolarHBondContact O-CG 3.23Å; R502-R506 PolarHBondContact O-N 3.4Å; V503-R506 PolarHBondContact O-N 2.75Å; R504-R506 PolarHBondContact O-N 3.35Å; R506-F508 VanDerWaalsContact C-N 3.33Å; R506-F508 HydrophobicContact CB-CD2 3.46Å; R506-F508 VanDerWaalsContact CB-CD2 3.46Å; R506-F508 HydrophobicContact CB-CE2 3.48Å; R506-F508 VanDerWaalsContact CB-CE2 3.48Å; R506-F508 HydrophobicContact CG-CD2 4.42Å; R506-F508 HydrophobicContact CG-CE2 4.22Å; R506-E549 IonicContact CZ-OE1 2.65Å; R506-E549 IonicContact CZ-OE2 2.61Å; R506-E549 IonicContact NH1-OE1 3.26Å; R506-E549 PolarHBondContact NH1-OE1 3.03Å; R506-E549 IonicContact NH1-OE2 2.74Å; R506-E549 PolarHBondContact NH1-OE2 3.22Å; R506-E549 IonicContact NH2-OE1 3.95Å; R506-E549 PolarHBondContact NH2-OE1 3.36Å; R506-E549 IonicContact NH2-OE2 2.69Å; R506-E549 PolarHBondContact NH2-OE2 2.96Å
507G93.9Very high96.1Very high35 Ų3532.9 Ų32.936%0.36117%0.168SC..THydrogen-bonded Turntrans67.728.1-178.600000113.8K477 V503 R504 K505K477-G507 WeakPolarHBondContact CE-O 3.38Å; K477-G507 PolarHBondContact NZ-O 3.5Å; V503-G507 PolarHBondContact O-N 2.99Å; R504-G507 VanDerWaalsContact O-CA 3.31Å; R504-G507 WeakPolarHBondContact O-CA 3.39Å; R504-G507 PolarHBondContact O-N 2.83Å; K505-G507 PolarHBondContact O-N 3.44Å
508F96.5Very high96.2Very high5 Ų532.1 Ų32.12%0.02216%0.162CC..  trans-87.5145.4171.6-64.7-62.7000111K477 Q480 Y484 V503 R506 L543 P544K477-F508 HydrophobicContact CB-CE1 4.17Å; K477-F508 HydrophobicContact CD-CD1 4.03Å; K477-F508 HydrophobicContact CD-CE1 3.68Å; K477-F508 HydrophobicContact CD-CZ 4.41Å; K477-F508 HydrophobicContact CG-CD1 4.36Å; K477-F508 HydrophobicContact CG-CE1 4.17Å; Q480-F508 HydrophobicContact CB-CD1 4.39Å; Q480-F508 HydrophobicContact CB-CE1 4.07Å; Q480-F508 HydrophobicContact CG-CD1 4.16Å; Q480-F508 HydrophobicContact CG-CE1 4.23Å; Y484-F508 HydrophobicContact CD2-CB 4.05Å; Y484-F508 HydrophobicContact CD2-CG 4.32Å; Y484-F508 HydrophobicContact CE2-CB 4.18Å; Y484-F508 HydrophobicContact CE2-CD1 4.15Å; Y484-F508 HydrophobicContact CE2-CD2 4.24Å; Y484-F508 AromaticContact CE2-CG 3.94Å; Y484-F508 HydrophobicContact CE2-CG 3.94Å; V503-F508 HydrophobicContact CG1-CB 3.66Å; V503-F508 PolarHBondContact O-N 2.79Å; R506-F508 VanDerWaalsContact C-N 3.33Å; R506-F508 HydrophobicContact CB-CD2 3.46Å; R506-F508 VanDerWaalsContact CB-CD2 3.46Å; R506-F508 HydrophobicContact CB-CE2 3.48Å; R506-F508 VanDerWaalsContact CB-CE2 3.48Å; R506-F508 HydrophobicContact CG-CD2 4.42Å; R506-F508 HydrophobicContact CG-CE2 4.22Å; F508-L543 HydrophobicContact CD2-CD2 4.27Å; F508-P544 HydrophobicContact CE1-CG 4.34Å; F508-P544 HydrophobicContact CE2-CB 4.46Å; F508-P544 HydrophobicContact CE2-CG 4.11Å; F508-P544 HydrophobicContact CZ-CB 3.96Å; F508-P544 VanDerWaalsContact CZ-CD 3.49Å; F508-P544 HydrophobicContact CZ-CG 3.51Å
509E97.8Very high96.1Very high14 Ų1431.4 Ų31.47%0.06516%0.156CC..  trans-82.3138.4175.2-171.4171.7173.700109.9T459 S460 Q461 Y472 R475T459-E509 WeakPolarHBondContact CB-OE1 3.34Å; T459-E509 HydrophobicContact CG2-CG 4.31Å; T459-E509 VanDerWaalsContact CG2-OE1 3.3Å; T459-E509 WeakPolarHBondContact CG2-OE1 3.45Å; T459-E509 PolarHBondContact OG1-OE1 3.31Å; S460-E509 WeakPolarHBondContact OG-CA 3.47Å; Q461-E509 HydrophobicContact CB-CG 4.17Å; Q461-E509 HydrophobicContact CG-CB 4.03Å; Q461-E509 HydrophobicContact CG-CG 3.78Å; Y472-E509 HydrophobicContact CD2-CB 4.17Å; Y472-E509 HydrophobicContact CD2-CG 3.79Å; Y472-E509 HydrophobicContact CE2-CB 3.64Å; Y472-E509 HydrophobicContact CE2-CG 3.64Å; Y472-E509 WeakPolarHBondContact CE2-O 3.44Å; Y472-E509 PolarHBondContact OH-O 3.34Å; R475-E509 IonicContact CZ-OE1 3.31Å; R475-E509 IonicContact CZ-OE2 3.96Å; R475-E509 IonicContact NE-OE1 3.33Å; R475-E509 IonicContact NE-OE2 2.68Å; R475-E509 PolarHBondContact NE-OE2 3.23Å; R475-E509 IonicContact NH2-OE1 3.26Å; R475-E509 PolarHBondContact NH2-OE1 3.02Å; R475-E509 IonicContact NH2-OE2 3.63Å
510V98Very high96Very high0 Ų033.4 Ų33.40%016%0.163CC..EExtended strand (participates in β ladder)trans-120.2131.7177.6-176.20000109.4T459 S460 Y484 I486 V500 V503 Y512T459-V510 CarbonylContact C-O 3.48Å; T459-V510 WeakPolarHBondContact CA-O 3.37Å; T459-V510 WeakPolarHBondContact CB-O 3.43Å; S460-V510 PolarHBondContact N-O 2.67Å; S460-V510 PolarHBondContact OG-N 3.2Å; Y484-V510 WeakPolarHBondContact O-CA 3.32Å; I486-V510 HydrophobicContact CB-CG1 4.34Å; I486-V510 HydrophobicContact CG2-CG1 3.81Å; V500-V510 HydrophobicContact CB-CG2 4.44Å; V500-V510 HydrophobicContact CG1-CB 4.38Å; V500-V510 HydrophobicContact CG1-CG1 3.93Å; V500-V510 HydrophobicContact CG1-CG2 4.18Å; V503-V510 HydrophobicContact CB-CG2 4.04Å; V503-V510 HydrophobicContact CG1-CG2 3.42Å; V503-V510 VanDerWaalsContact CG1-CG2 3.42Å; V510-Y512 HydrophobicContact CB-CE1 4.35Å; V510-Y512 HydrophobicContact CG1-CE1 4.27Å
511V98.5Very high96Very high2 Ų233.4 Ų33.41%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-81.9127.7173.6-175.50000110.2Y457 T459 L469 Y472 I483 Y484 Y485 I486 M513Y457-V511 VanDerWaalsContact CB-CG1 3.44Å; Y457-V511 HydrophobicContact CD1-CG1 4.3Å; Y457-V511 HydrophobicContact CD2-CG1 3.9Å; Y457-V511 HydrophobicContact CG-CG1 3.63Å; T459-V511 HydrophobicContact CG2-CG2 4.3Å; L469-V511 HydrophobicContact CD2-CG2 4.44Å; Y472-V511 HydrophobicContact CD2-CG2 3.71Å; Y472-V511 HydrophobicContact CE2-CG2 3.77Å; Y472-V511 HydrophobicContact CG-CG2 4.44Å; I483-V511 HydrophobicContact CG2-CG2 3.97Å; Y484-V511 PolarHBondContact O-N 3.05Å; Y485-V511 CarbonylContact C-O 3.57Å; Y485-V511 VanDerWaalsContact CA-O 3.31Å; Y485-V511 WeakPolarHBondContact CA-O 3.3Å; I486-V511 PolarHBondContact N-O 2.93Å; V511-M513 HydrophobicContact CG1-CE 3.95Å; V511-M513 HydrophobicContact CG1-CG 4.39Å
512Y98.3Very high96Very high12 Ų1232 Ų325%0.04716%0.158CC..EExtended strand (participates in β ladder)trans-96.4127.1176.6-56.4-44.4000111.1H458 T459 S460 I486 K491 V494 R504 V510H458-Y512 HydrophobicContact CB-CD2 4.13Å; H458-Y512 PolarHBondContact O-N 3.09Å; T459-Y512 WeakPolarHBondContact O-CE2 3.49Å; S460-Y512 WeakPolarHBondContact CA-OH 3.4Å; S460-Y512 WeakPolarHBondContact CB-OH 3.25Å; I486-Y512 HydrophobicContact CG2-CD1 3.52Å; I486-Y512 HydrophobicContact CG2-CE1 4.01Å; K491-Y512 HydrophobicContact CG-CD2 4.44Å; V494-Y512 HydrophobicContact CB-CD1 4.34Å; V494-Y512 HydrophobicContact CG2-CD1 3.55Å; V494-Y512 HydrophobicContact CG2-CE1 4.31Å; V494-Y512 HydrophobicContact CG2-CG 3.86Å; R504-Y512 PolarHBondContact NH2-OH 3.47Å; V510-Y512 HydrophobicContact CB-CE1 4.35Å; V510-Y512 HydrophobicContact CG1-CE1 4.27Å
513M98.4Very high95.9Very high3 Ų333.7 Ų33.72%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-123.9118.6-179.3-69.2175.8-176.600109.4Y457 Y485 I486 T487 G488 V511 D518 V522Y457-M513 HydrophobicContact CD1-CG 3.98Å; Y457-M513 HydrophobicContact CE1-CE 4.33Å; Y457-M513 HydrophobicContact CE1-CG 3.9Å; Y457-M513 HydrophobicContact CE2-CE 4.36Å; Y485-M513 HydrophobicContact CD2-CE 4.13Å; Y485-M513 HydrophobicContact CD2-SD 3.65Å; Y485-M513 HydrophobicContact CE2-SD 4.25Å; Y485-M513 HydrophobicContact CG-CE 4.15Å; Y485-M513 HydrophobicContact CG-SD 4.25Å; I486-M513 PolarHBondContact O-N 3.45Å; T487-M513 CarbonylContact C-O 3.53Å; T487-M513 VanDerWaalsContact CA-O 3.31Å; T487-M513 WeakPolarHBondContact CA-O 3.44Å; T487-M513 HydrophobicContact CG2-CB 3.8Å; T487-M513 HydrophobicContact CG2-SD 4.03Å; G488-M513 PolarHBondContact N-O 3.27Å; V511-M513 HydrophobicContact CG1-CE 3.95Å; V511-M513 HydrophobicContact CG1-CG 4.39Å; M513-D518 HydrophobicContact CB-CB 3.74Å; M513-D518 HydrophobicContact CG-CB 4.22Å; M513-D518 HydrophobicContact SD-CB 4.42Å; M513-V522 HydrophobicContact CE-CG1 3.51Å; M513-V522 HydrophobicContact SD-CG1 3.26Å; M513-V522 WeakPolarHBondContact SD-CG1 3.42Å
514T97.1Very high95.9Very high46 Ų4637.1 Ų37.128%0.28218%0.183SC..  trans-127.5-7-163.959.90000113.3G488 K491 D518G488-T514 WeakPolarHBondContact O-CA 3.47Å; K491-T514 HydrophobicContact CB-CG2 4.25Å; T514-D518 PolarHBondContact N-OD2 3.28Å
515E96.4Very high95.9Very high42 Ų4233 Ų3320%0.19617%0.168CC..SBendtrans-94.5143.8175-65.5-172.2103.500110.2S434 K435 K438 I517 D518S434-E515 PolarHBondContact OG-OE2 2.89Å; K435-E515 IonicContact NZ-OE1 3.95Å; K435-E515 PolarHBondContact NZ-OE1 3.19Å; K438-E515 IonicContact NZ-OE2 2.67Å; K438-E515 PolarHBondContact NZ-OE2 3.46Å; E515-I517 HydrophobicContact CB-CG2 4.01Å; E515-I517 PolarHBondContact O-N 3.24Å; E515-I517 VanDerWaalsContact O-N 3.11Å; E515-D518 PolarHBondContact N-OD2 2.72Å; E515-D518 VanDerWaalsContact O-CB 3.26Å; E515-D518 WeakPolarHBondContact O-CB 3.3Å; E515-D518 PolarHBondContact O-N 2.9Å
516P95.3Very high96Very high72 Ų7233.9 Ų33.947%0.46817%0.172SC..Hα-helixtrans-55.1-31.1175.2-28.235.7000114D518 E519 Y520 I605P516-D518 VanDerWaalsContact C-N 3.26Å; P516-D518 PolarHBondContact O-N 3.41Å; P516-E519 WeakPolarHBondContact O-CB 3.26Å; P516-Y520 WeakPolarHBondContact O-CD2 3.5Å; P516-I605 HydrophobicContact CB-CD1 3.9Å; P516-I605 HydrophobicContact CB-CG1 4.14Å; P516-I605 HydrophobicContact CB-CG2 4.5Å
517I96.1Very high96.1Very high38 Ų3837.2 Ų37.220%0.19519%0.19CC..Hα-helixtrans-70.8-19.9177.7-164167000113.1K435 K438 L439 E515 E519 Y520 C521K435-I517 WeakPolarHBondContact O-CD1 3.37Å; K438-I517 HydrophobicContact CB-CD1 4.04Å; K438-I517 HydrophobicContact CB-CG1 4.04Å; K438-I517 HydrophobicContact CB-CG2 4.07Å; K438-I517 HydrophobicContact CD-CG2 3.62Å; K438-I517 HydrophobicContact CG-CG2 4.49Å; L439-I517 HydrophobicContact CB-CD1 4.17Å; E515-I517 HydrophobicContact CB-CG2 4.01Å; E515-I517 PolarHBondContact O-N 3.24Å; E515-I517 VanDerWaalsContact O-N 3.11Å; I517-E519 VanDerWaalsContact C-N 3.26Å; I517-E519 PolarHBondContact O-N 3Å; I517-Y520 PolarHBondContact O-N 3.3Å; I517-Y520 VanDerWaalsContact O-N 3.15Å; I517-C521 PolarHBondContact O-N 3.42Å
518D97.9Very high96.3Very high3 Ų335.9 Ų35.92%0.01617%0.174CC..Hα-helixtrans-63.3-36.4178.1-70.2-36.8000111.7K438 M513 T514 E515 P516 Y520 C521 V522K438-D518 VanDerWaalsContact CD-OD1 3.27Å; K438-D518 WeakPolarHBondContact CD-OD1 3.33Å; K438-D518 WeakPolarHBondContact CE-OD1 3.29Å; K438-D518 IonicContact NZ-OD1 2.64Å; K438-D518 PolarHBondContact NZ-OD1 3.39Å; K438-D518 IonicContact NZ-OD2 3.54Å; M513-D518 HydrophobicContact CB-CB 3.74Å; M513-D518 HydrophobicContact CG-CB 4.22Å; M513-D518 HydrophobicContact SD-CB 4.42Å; T514-D518 PolarHBondContact N-OD2 3.28Å; E515-D518 PolarHBondContact N-OD2 2.72Å; E515-D518 VanDerWaalsContact O-CB 3.26Å; E515-D518 WeakPolarHBondContact O-CB 3.3Å; E515-D518 PolarHBondContact O-N 2.9Å; P516-D518 VanDerWaalsContact C-N 3.26Å; P516-D518 PolarHBondContact O-N 3.41Å; D518-Y520 VanDerWaalsContact C-N 3.31Å; D518-Y520 PolarHBondContact O-N 2.66Å; D518-C521 WeakPolarHBondContact O-CB 3.43Å; D518-C521 PolarHBondContact O-N 3.27Å; D518-C521 VanDerWaalsContact O-N 3.12Å; D518-V522 WeakPolarHBondContact O-CG2 3.48Å; D518-V522 PolarHBondContact O-N 2.57Å
519E95.2Very high96.2Very high6 Ų639.9 Ų39.93%0.02820%0.196CC..Hα-helixtrans-59.1-40.2174.6-90.4-64178.500112T487 P516 I517 Q523 T599 N601 M602 I605T487-E519 VanDerWaalsContact CB-OE1 3.22Å; T487-E519 WeakPolarHBondContact CB-OE1 3.33Å; T487-E519 HydrophobicContact CG2-CG 4.29Å; T487-E519 PolarHBondContact OG1-OE1 2.86Å; P516-E519 WeakPolarHBondContact O-CB 3.26Å; I517-E519 VanDerWaalsContact C-N 3.26Å; I517-E519 PolarHBondContact O-N 3Å; E519-Q523 WeakPolarHBondContact O-CG 3.44Å; E519-Q523 PolarHBondContact O-N 3.47Å; E519-T599 PolarHBondContact OE1-OG1 3.12Å; E519-T599 PolarHBondContact OE2-OG1 3.4Å; E519-N601 WeakPolarHBondContact CG-ND2 3.39Å; E519-N601 WeakPolarHBondContact OE1-CB 3.44Å; E519-N601 PolarHBondContact OE1-ND2 3.4Å; E519-M602 HydrophobicContact CB-CE 3.43Å; E519-M602 VanDerWaalsContact CB-CE 3.43Å; E519-M602 HydrophobicContact CB-SD 4.47Å; E519-M602 HydrophobicContact CG-CE 3.99Å; E519-M602 WeakPolarHBondContact OE2-CE 3.32Å; E519-I605 HydrophobicContact CB-CD1 3.99Å; E519-I605 HydrophobicContact CG-CD1 3.8Å
520Y94.4Very high96.1Very high48 Ų4842.4 Ų42.419%0.18823%0.226CC..Hα-helixtrans-73.2-32.1173.8-67.2-86.5000112.9H442 P516 I517 D518 I605 M606 Q609H442-Y520 AromaticContact CE1-CD1 3.97Å; H442-Y520 PolarHBondContact ND1-O 3Å; P516-Y520 WeakPolarHBondContact O-CD2 3.5Å; I517-Y520 PolarHBondContact O-N 3.3Å; I517-Y520 VanDerWaalsContact O-N 3.15Å; D518-Y520 VanDerWaalsContact C-N 3.31Å; D518-Y520 PolarHBondContact O-N 2.66Å; Y520-I605 HydrophobicContact CE2-CG2 4.14Å; Y520-M606 HydrophobicContact CD1-CE 4.44Å; Y520-M606 HydrophobicContact CE1-CE 3.39Å; Y520-M606 VanDerWaalsContact CZ-CE 3.49Å; Y520-M606 WeakPolarHBondContact OH-CE 3.26Å; Y520-Q609 PolarHBondContact OH-OE1 3.33Å
521C96.2Very high96Very high0 Ų045.5 Ų45.50%024%0.239CC..Hα-helixtrans-66.8-50.3177.7-174.90000111.3K438 I441 I517 D518 Q523 Q524 L525K438-C521 HydrophobicContact CB-CB 4.48Å; I441-C521 VanDerWaalsContact CG2-SG 3.52Å; I517-C521 PolarHBondContact O-N 3.42Å; D518-C521 WeakPolarHBondContact O-CB 3.43Å; D518-C521 PolarHBondContact O-N 3.27Å; D518-C521 VanDerWaalsContact O-N 3.12Å; C521-Q523 VanDerWaalsContact C-N 3.28Å; C521-Q523 PolarHBondContact O-N 3.24Å; C521-Q524 PolarHBondContact O-N 2.93Å; C521-Q524 VanDerWaalsContact O-N 3.11Å; C521-L525 PolarHBondContact O-N 3.01Å
522V95.4Very high95.9Very high12 Ų1247.8 Ų47.87%0.07326%0.255CS..Hα-helixtrans-70.9-19.6-178.7-63.40000114.3Y485 M513 D518 Q524Y485-V522 HydrophobicContact CD2-CG1 4.37Å; Y485-V522 HydrophobicContact CE2-CB 4.16Å; Y485-V522 HydrophobicContact CE2-CG1 4.03Å; Y485-V522 HydrophobicContact CE2-CG2 4Å; M513-V522 HydrophobicContact CE-CG1 3.51Å; M513-V522 HydrophobicContact SD-CG1 3.26Å; M513-V522 WeakPolarHBondContact SD-CG1 3.42Å; D518-V522 WeakPolarHBondContact O-CG2 3.48Å; D518-V522 PolarHBondContact O-N 2.57Å; V522-Q524 PolarHBondContact O-N 3.41Å
523Q92.6Very high95.9Very high77 Ų7748.2 Ų48.236%0.3626%0.258SS..Hα-helixtrans-62-33.9169.6-79.4178.82.900112.4E519 C521 M602E519-Q523 WeakPolarHBondContact O-CG 3.44Å; E519-Q523 PolarHBondContact O-N 3.47Å; C521-Q523 VanDerWaalsContact C-N 3.28Å; C521-Q523 PolarHBondContact O-N 3.24Å; Q523-M602 HydrophobicContact CG-CE 4.3Å
524Q95.9Very high95.8Very high72 Ų7250.1 Ų50.134%0.33627%0.27SS..Hα-helixtrans-95.5-33.5-178.7-57.8-55.3-38.600112.5I441 C521 V522 K526I441-Q524 HydrophobicContact CG2-CB 4.49Å; C521-Q524 PolarHBondContact O-N 2.93Å; C521-Q524 VanDerWaalsContact O-N 3.11Å; V522-Q524 PolarHBondContact O-N 3.41Å; Q524-K526 PolarHBondContact O-N 3.35Å
525L95.5Very high95.7Very high6 Ų648.1 Ų48.13%0.03126%0.258CS..  trans-82.476.9179-170.664.8000111.4I441 L455 L469 C521 L533I441-L525 HydrophobicContact CG2-CB 4.43Å; L455-L525 HydrophobicContact CD1-CD2 3.87Å; L469-L525 HydrophobicContact CD1-CD2 3.82Å; C521-L525 PolarHBondContact O-N 3.01Å; L525-L533 HydrophobicContact CD2-CD2 3.94Å; L525-L533 HydrophobicContact CG-CD1 4.39Å; L525-L533 HydrophobicContact CG-CD2 4.06Å
526K93.3Very high95.8Very high159 Ų15946.1 Ų46.169%0.69125%0.249SC*.  trans-75.2-34.6-178.5-63.8-178.4-179.7178.80113.5Q524 L533Q524-K526 PolarHBondContact O-N 3.35Å; K526-L533 PolarHBondContact O-N 2.96Å; K526-L533 VanDerWaalsContact O-N 3.11Å
527E95.5Very high95.8Very high130 Ų13043.4 Ų43.461%0.60723%0.23SC*.EExtended strand (participates in β ladder)trans-140.7148.2-177.7-65.2-178177.800110.5K531E527-K531 CarbonylContact C-O 3.59Å; E527-K531 VanDerWaalsContact CA-O 3.27Å; E527-K531 WeakPolarHBondContact CA-O 3.35Å
528F97.5Very high95.7Very high6 Ų644.4 Ų44.43%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-140128173.4-178.7-89.3000108.7S452 E453 L469 V473 I483 G530 K531 L533S452-F528 WeakPolarHBondContact OG-CD2 3.18Å; S452-F528 WeakPolarHBondContact OG-CE2 3.16Å; E453-F528 HydrophobicContact CG-CE2 4.26Å; E453-F528 HydrophobicContact CG-CZ 4.45Å; L469-F528 VanDerWaalsContact C-CE1 3.44Å; L469-F528 HydrophobicContact CB-CD1 3.64Å; L469-F528 HydrophobicContact CB-CD2 4.11Å; L469-F528 HydrophobicContact CB-CE1 3.46Å; L469-F528 VanDerWaalsContact CB-CE1 3.46Å; L469-F528 HydrophobicContact CB-CE2 3.94Å; L469-F528 HydrophobicContact CB-CG 3.97Å; L469-F528 HydrophobicContact CB-CZ 3.62Å; L469-F528 HydrophobicContact CD1-CB 4.44Å; L469-F528 HydrophobicContact CD1-CD1 4.48Å; L469-F528 HydrophobicContact CD1-CD2 3.85Å; L469-F528 HydrophobicContact CD1-CE2 4.24Å; L469-F528 HydrophobicContact CD1-CG 3.98Å; V473-F528 HydrophobicContact CG2-CD1 3.96Å; V473-F528 HydrophobicContact CG2-CE1 4.15Å; I483-F528 HydrophobicContact CD1-CB 3.99Å; I483-F528 HydrophobicContact CD1-CD1 4.15Å; I483-F528 HydrophobicContact CD1-CG 4.47Å; F528-G530 PolarHBondContact O-N 3.1Å; F528-G530 VanDerWaalsContact O-N 3.12Å; F528-K531 PolarHBondContact N-O 2.87Å; F528-K531 WeakPolarHBondContact O-CB 3.46Å; F528-K531 PolarHBondContact O-N 3.05Å; F528-L533 HydrophobicContact CB-CD1 4.04Å
529D95Very high95.6Very high89 Ų8946.9 Ų46.948%0.47625%0.245SC..THydrogen-bonded Turntrans47.538.4-174.7-72.2-14.9000114.8V473 K531V473-D529 HydrophobicContact CG2-CB 4.49Å; D529-K531 PolarHBondContact O-N 3.26Å
530G94.7Very high95.3Very high67 Ų6749.9 Ų49.969%0.69128%0.278SS*.THydrogen-bonded Turntrans72.69.4-178.800000114.6F528F528-G530 PolarHBondContact O-N 3.1Å; F528-G530 VanDerWaalsContact O-N 3.12Å
531K96.7Very high95.2Very high66 Ų6648.3 Ų48.329%0.28727%0.272SS..EExtended strand (participates in β ladder)trans-103.8131.6174-53.6-61.8-174.6169.70109.5M476 I483 E527 F528 D529M476-K531 HydrophobicContact CE-CB 4.38Å; M476-K531 HydrophobicContact CE-CD 3.91Å; M476-K531 HydrophobicContact CE-CG 3.98Å; M476-K531 HydrophobicContact SD-CD 4.38Å; M476-K531 HydrophobicContact SD-CG 3.95Å; I483-K531 HydrophobicContact CD1-CB 4.36Å; I483-K531 HydrophobicContact CG1-CB 4.12Å; E527-K531 CarbonylContact C-O 3.59Å; E527-K531 VanDerWaalsContact CA-O 3.27Å; E527-K531 WeakPolarHBondContact CA-O 3.35Å; F528-K531 PolarHBondContact N-O 2.87Å; F528-K531 WeakPolarHBondContact O-CB 3.46Å; F528-K531 PolarHBondContact O-N 3.05Å; D529-K531 PolarHBondContact O-N 3.26Å
532S96.7Very high94.9Very high49 Ų4955.8 Ų55.834%0.34331%0.307SS..EExtended strand (participates in β ladder)trans-73.2148.9174.857.70000111.3S482 I483S482-S532 CarbonylContact C-O 3.59Å; S482-S532 WeakPolarHBondContact CA-O 3.29Å; S482-S532 WeakPolarHBondContact CB-O 3.47Å; I483-S532 PolarHBondContact N-O 3.39Å
533L97.2Very high94.6Very high22 Ų2255.4 Ų55.412%0.11531%0.305CS..EExtended strand (participates in β ladder)trans-93126171.9-75.775.7000109.3I483 Y485 L525 K526 F528I483-L533 HydrophobicContact CB-CG 4.22Å; I483-L533 HydrophobicContact CD1-CD1 4.27Å; I483-L533 HydrophobicContact CD1-CG 4.49Å; I483-L533 HydrophobicContact CG2-CG 4.48Å; Y485-L533 HydrophobicContact CD1-CB 4.01Å; Y485-L533 HydrophobicContact CE1-CB 3.82Å; L525-L533 HydrophobicContact CD2-CD2 3.94Å; L525-L533 HydrophobicContact CG-CD1 4.39Å; L525-L533 HydrophobicContact CG-CD2 4.06Å; K526-L533 PolarHBondContact O-N 2.96Å; K526-L533 VanDerWaalsContact O-N 3.11Å; F528-L533 HydrophobicContact CB-CD1 4.04Å
534V96.5Very high94.2Very high43 Ų4353.9 Ų53.926%0.26130%0.301SS..EExtended strand (participates in β ladder)trans-122.4118.1-177.5177.40000109.9I483 Y484 Y485 L541I483-V534 PolarHBondContact O-N 3.33Å; Y484-V534 WeakPolarHBondContact CA-O 3.2Å; Y484-V534 HydrophobicContact CD1-CB 4.4Å; Y485-V534 VanDerWaalsContact CD1-C 3.5Å; Y485-V534 WeakPolarHBondContact CD1-O 3.47Å; Y485-V534 PolarHBondContact N-O 3.13Å; Y485-V534 VanDerWaalsContact N-O 3.1Å; V534-L541 HydrophobicContact CG1-CD1 4.01Å
535S96.8Very high93.4Very high4 Ų452.8 Ų52.83%0.02830%0.296CS..EExtended strand (participates in β ladder)trans-72.1128.5173-179.10000110.2Y485 T537 K538Y485-S535 WeakPolarHBondContact O-CA 3.42Å; S535-T537 PolarHBondContact O-N 3.49Å; S535-T537 PolarHBondContact OG-N 3.25Å; S535-T537 VanDerWaalsContact OG-N 3.17Å; S535-T537 PolarHBondContact OG-OG1 2.98Å; S535-K538 PolarHBondContact O-N 3.39Å
536V96.9Very high92.8Very high0 Ų057.4 Ų57.40%032%0.321CS..THydrogen-bonded Turntrans-70.5-7.3173.7-58.20000113.1Y484 Y485 I486 F499 V500 V503 L541 R583Y484-V536 HydrophobicContact CD1-CG1 4.5Å; Y485-V536 WeakPolarHBondContact O-CG2 3.41Å; Y485-V536 PolarHBondContact O-N 2.83Å; I486-V536 HydrophobicContact CB-CG2 3.65Å; I486-V536 HydrophobicContact CD1-CG2 3.97Å; I486-V536 HydrophobicContact CG1-CG2 4.02Å; F499-V536 HydrophobicContact CB-CB 4.24Å; F499-V536 HydrophobicContact CB-CG2 3.73Å; F499-V536 WeakPolarHBondContact CD1-O 3.35Å; V500-V536 HydrophobicContact CG1-CG2 4.1Å; V503-V536 HydrophobicContact CG2-CG1 4.08Å; V536-L541 HydrophobicContact CB-CD2 4.04Å; V536-L541 HydrophobicContact CG1-CD1 4.18Å; V536-L541 HydrophobicContact CG1-CD2 4.14Å; V536-R583 PolarHBondContact O-NH1 3.33Å
537T96.3Very high92.5Very high14 Ų1456.3 Ų56.39%0.08632%0.318CS..THydrogen-bonded Turntrans-92.3-8.3179.669.20000114.1I486 F499 S535 T593I486-T537 HydrophobicContact CD1-CG2 4.21Å; I486-T537 HydrophobicContact CG1-CG2 3.9Å; F499-T537 HydrophobicContact CD2-CG2 3.85Å; F499-T537 HydrophobicContact CE2-CG2 3.98Å; F499-T537 HydrophobicContact CG-CG2 4.28Å; F499-T537 HydrophobicContact CZ-CG2 4.45Å; S535-T537 PolarHBondContact O-N 3.49Å; S535-T537 PolarHBondContact OG-N 3.25Å; S535-T537 VanDerWaalsContact OG-N 3.17Å; S535-T537 PolarHBondContact OG-OG1 2.98Å; T537-T593 PolarHBondContact O-N 2.69Å; T537-T593 VanDerWaalsContact O-N 3.1Å; T537-T593 PolarHBondContact O-OG1 3.42Å
538K94.4Very high92.3Very high59 Ų5955.4 Ų55.426%0.25731%0.314SS..BIsolated β-bridgetrans-91.3152.7177.4-71.3-175.6172.4-164.60111.3S535 R583 T593 T595S535-K538 PolarHBondContact O-N 3.39Å; K538-R583 VanDerWaalsContact O-CZ 3.3Å; K538-R583 PolarHBondContact O-NH1 3.24Å; K538-R583 PolarHBondContact O-NH2 3.3Å; K538-T593 CarbonylContact C-O 3.56Å; K538-T593 WeakPolarHBondContact CA-O 3.47Å; K538-T595 PolarHBondContact NZ-O 3.34Å
539E94.1Very high91.8Very high56 Ų5658 Ų5826%0.26233%0.327SS..SBendtrans-57.3158.1170.470.7177.9154.300111.6V592 T593 S594 T595 H625E539-V592 HydrophobicContact CB-CG2 3.93Å; E539-T593 PolarHBondContact N-O 3.2Å; E539-S594 WeakPolarHBondContact OE1-CA 3.39Å; E539-T595 HydrophobicContact CG-CG2 3.82Å; E539-T595 PolarHBondContact OE1-N 3.02Å; E539-T595 VanDerWaalsContact OE1-N 3.08Å; E539-H625 IonicContact OE1-NE2 2.74Å; E539-H625 IonicContact OE2-CD2 3.2Å; E539-H625 PolarHBondContact OE2-CD2 3.44Å; E539-H625 IonicContact OE2-NE2 2.97Å; E539-H625 PolarHBondContact OE2-NE2 2.63Å
540G89.8Confident91.4Very high69 Ų6957.9 Ų57.971%0.71132%0.322SS*.  trans71.930.817500000114.7E542G540-E542 PolarHBondContact O-N 2.81Å
541L93Very high91.3Very high14 Ų1460.5 Ų60.57%0.07331%0.314CS..  trans-6798.4172.9178.565000109.9Y484 V503 V534 V536 L543 R583Y484-L541 HydrophobicContact CD1-CD1 3.84Å; Y484-L541 HydrophobicContact CE1-CD1 3.76Å; V503-L541 HydrophobicContact CG2-CD2 4.07Å; V534-L541 HydrophobicContact CG1-CD1 4.01Å; V536-L541 HydrophobicContact CB-CD2 4.04Å; V536-L541 HydrophobicContact CG1-CD1 4.18Å; V536-L541 HydrophobicContact CG1-CD2 4.14Å; L541-L543 HydrophobicContact CD1-CD2 4.28Å; L541-L543 HydrophobicContact CD2-CD2 4.36Å; L541-L543 HydrophobicContact CD2-CG 4.4Å; L541-L543 HydrophobicContact CG-CD2 4.14Å; L541-L543 HydrophobicContact CG-CG 4.18Å; L541-L543 PolarHBondContact O-N 2.94Å; L541-R583 VanDerWaalsContact CB-CZ 3.47Å; L541-R583 HydrophobicContact CD2-CB 4.16Å
542E88.9Confident91.1Very high158 Ų15863.1 Ų63.174%0.73833%0.325SS*.  trans-81.6108.3175.7-168.1177-177.400110Y484 G540Y484-E542 PolarHBondContact OH-O 3.43Å; G540-E542 PolarHBondContact O-N 2.81Å
543L89.1Confident90.8Very high3 Ų362 Ų622%0.01632%0.315CS..  trans-98.6141.2169-60.8178.7000108.4Y484 R502 V503 F508 L541 E545Y484-L543 HydrophobicContact CE1-CD2 3.96Å; Y484-L543 HydrophobicContact CE2-CD2 4.37Å; R502-L543 HydrophobicContact CB-CD1 4.13Å; R502-L543 HydrophobicContact CG-CD1 3.8Å; V503-L543 HydrophobicContact CG2-CD1 4.13Å; V503-L543 HydrophobicContact CG2-CD2 4.12Å; F508-L543 HydrophobicContact CD2-CD2 4.27Å; L541-L543 HydrophobicContact CD1-CD2 4.28Å; L541-L543 HydrophobicContact CD2-CD2 4.36Å; L541-L543 HydrophobicContact CD2-CG 4.4Å; L541-L543 HydrophobicContact CG-CD2 4.14Å; L541-L543 HydrophobicContact CG-CG 4.18Å; L541-L543 PolarHBondContact O-N 2.94Å; L543-E545 WeakPolarHBondContact O-CG 3.37Å; L543-E545 PolarHBondContact O-N 2.69Å; L543-E545 VanDerWaalsContact O-N 3.15Å
544P84.3Confident90.6Very high45 Ų4566.2 Ų66.229%0.29233%0.334SS..  trans-53.1121.8169.3-31.637.5000111.6F508F508-P544 HydrophobicContact CE1-CG 4.34Å; F508-P544 HydrophobicContact CE2-CB 4.46Å; F508-P544 HydrophobicContact CE2-CG 4.11Å; F508-P544 HydrophobicContact CZ-CB 3.96Å; F508-P544 VanDerWaalsContact CZ-CD 3.49Å; F508-P544 HydrophobicContact CZ-CG 3.51Å
545E79.7Confident90.5Very high50 Ų5069.5 Ų69.523%0.23435%0.347CS..  trans-128.8147.6-174-76.8165.4-145.900110.2L543 K550 N582L543-E545 WeakPolarHBondContact O-CG 3.37Å; L543-E545 PolarHBondContact O-N 2.69Å; L543-E545 VanDerWaalsContact O-N 3.15Å; E545-K550 HydrophobicContact CB-CG 4.09Å; E545-K550 WeakPolarHBondContact OE2-CG 3.17Å; E545-N582 PolarHBondContact OE1-ND2 3.45Å; E545-N582 PolarHBondContact OE2-ND2 3.33Å
546D82Confident90.4Very high102 Ų10270.4 Ų70.455%0.54535%0.353SS..  trans-76.2151.1168-168.5-1.7000110.2E548 E549 K550D546-E548 PolarHBondContact O-N 3.02Å; D546-E549 HydrophobicContact CB-CG 4.38Å; D546-E549 PolarHBondContact N-OE2 2.61Å; D546-E549 WeakPolarHBondContact O-CB 3.47Å; D546-E549 PolarHBondContact O-N 3.36Å; D546-K550 PolarHBondContact O-N 3.29Å
547E88Confident90.2Very high136 Ų13674.2 Ų74.264%0.63637%0.369SS*.Hα-helixtrans-61.1-33.8-179.4-162.864.2-166.200111.8E549 K550 K551E547-E549 VanDerWaalsContact C-N 3.34Å; E547-E549 PolarHBondContact O-N 3.44Å; E547-K550 PolarHBondContact O-N 3.46Å; E547-K551 WeakPolarHBondContact O-CB 3.33Å; E547-K551 PolarHBondContact O-N 3.17Å
548E89.8Confident90.1Very high112 Ų11276.7 Ų76.752%0.52339%0.391SS..Hα-helixtrans-62.2-38.4172.4-81.3-72.6138.400112.6D546 K551 K552D546-E548 PolarHBondContact O-N 3.02Å; E548-K551 PolarHBondContact O-N 2.87Å; E548-K552 WeakPolarHBondContact O-CG 3.14Å; E548-K552 PolarHBondContact O-N 3.11Å
549E87.6Confident90.2Very high61 Ų6178.6 Ų78.629%0.28540%0.4SS..Hα-helixtrans-74.1-38.2178.6-65.7174.7141.500111.3R506 D546 E547 K551 K552 M553R506-E549 IonicContact CZ-OE1 2.65Å; R506-E549 IonicContact CZ-OE2 2.61Å; R506-E549 IonicContact NH1-OE1 3.26Å; R506-E549 PolarHBondContact NH1-OE1 3.03Å; R506-E549 IonicContact NH1-OE2 2.74Å; R506-E549 PolarHBondContact NH1-OE2 3.22Å; R506-E549 IonicContact NH2-OE1 3.95Å; R506-E549 PolarHBondContact NH2-OE1 3.36Å; R506-E549 IonicContact NH2-OE2 2.69Å; R506-E549 PolarHBondContact NH2-OE2 2.96Å; D546-E549 HydrophobicContact CB-CG 4.38Å; D546-E549 PolarHBondContact N-OE2 2.61Å; D546-E549 WeakPolarHBondContact O-CB 3.47Å; D546-E549 PolarHBondContact O-N 3.36Å; E547-E549 VanDerWaalsContact C-N 3.34Å; E547-E549 PolarHBondContact O-N 3.44Å; E549-K551 VanDerWaalsContact C-N 3.3Å; E549-K551 PolarHBondContact O-N 3.16Å; E549-K552 PolarHBondContact O-N 3.1Å; E549-M553 WeakPolarHBondContact O-CB 3.3Å; E549-M553 WeakPolarHBondContact O-CG 3.38Å; E549-M553 PolarHBondContact O-N 2.85Å
550K88Confident90.3Very high86 Ų8676 Ų7637%0.37439%0.388SS..Hα-helixtrans-58.4-44.8171.6-72.3-177.3177.5-179.70111.1E545 D546 E547 M553 E554E545-K550 HydrophobicContact CB-CG 4.09Å; E545-K550 WeakPolarHBondContact OE2-CG 3.17Å; D546-K550 PolarHBondContact O-N 3.29Å; E547-K550 PolarHBondContact O-N 3.46Å; K550-M553 WeakPolarHBondContact O-CB 3.27Å; K550-M553 PolarHBondContact O-N 3.42Å; K550-E554 PolarHBondContact O-N 3.49Å
551K92.2Very high90.5Very high122 Ų12277.4 Ų77.453%0.5338%0.376SS..Hα-helixtrans-62-46176.6-171.6-179.3173.1-170.30112.2E547 E548 E549 M553 E554 E555E547-K551 WeakPolarHBondContact O-CB 3.33Å; E547-K551 PolarHBondContact O-N 3.17Å; E548-K551 PolarHBondContact O-N 2.87Å; E549-K551 VanDerWaalsContact C-N 3.3Å; E549-K551 PolarHBondContact O-N 3.16Å; K551-M553 PolarHBondContact O-N 2.9Å; K551-E554 PolarHBondContact O-N 3.22Å; K551-E554 VanDerWaalsContact O-N 3.17Å; K551-E555 WeakPolarHBondContact O-CG 3.5Å; K551-E555 PolarHBondContact O-N 2.62Å
552K92Very high90.6Very high120 Ų12082.4 Ų82.452%0.52240%0.402SS..Hα-helixtrans-60.1-34.2174.1-74.3174.2-176.41740112.7E548 E549 S556E548-K552 WeakPolarHBondContact O-CG 3.14Å; E548-K552 PolarHBondContact O-N 3.11Å; E549-K552 PolarHBondContact O-N 3.1Å; K552-S556 WeakPolarHBondContact O-CB 3.49Å; K552-S556 PolarHBondContact O-N 3.06Å; K552-S556 PolarHBondContact O-OG 2.79Å
553M90.6Very high90.9Very high27 Ų2775 Ų7513%0.13337%0.368CS..Hα-helixtrans-69.4-39.4175.5-78-60.8-65.300112.3E549 K550 K551 S556 K557 I580 N582E549-M553 WeakPolarHBondContact O-CB 3.3Å; E549-M553 WeakPolarHBondContact O-CG 3.38Å; E549-M553 PolarHBondContact O-N 2.85Å; K550-M553 WeakPolarHBondContact O-CB 3.27Å; K550-M553 PolarHBondContact O-N 3.42Å; K551-M553 PolarHBondContact O-N 2.9Å; M553-S556 PolarHBondContact O-N 3.17Å; M553-K557 VanDerWaalsContact O-CG 3.3Å; M553-K557 WeakPolarHBondContact O-CG 3.18Å; M553-K557 PolarHBondContact O-N 3.01Å; M553-I580 HydrophobicContact CE-CG2 3.88Å; M553-N582 HydrophobicContact CE-CB 3.83Å; M553-N582 HydrophobicContact CG-CB 4.27Å; M553-N582 HydrophobicContact SD-CB 3.74Å
554E91.8Very high91.3Very high109 Ų10975.6 Ų75.651%0.50937%0.372SS..Hα-helixtrans-66.2-40.4173-67.1-53.1129.400112.2K550 K551 S556 K557 A558K550-E554 PolarHBondContact O-N 3.49Å; K551-E554 PolarHBondContact O-N 3.22Å; K551-E554 VanDerWaalsContact O-N 3.17Å; E554-S556 VanDerWaalsContact C-N 3.32Å; E554-S556 PolarHBondContact O-N 3.46Å; E554-K557 WeakPolarHBondContact O-CB 3.26Å; E554-K557 PolarHBondContact O-N 2.77Å; E554-K557 IonicContact OE1-NZ 2.61Å; E554-K557 PolarHBondContact OE1-NZ 3.28Å; E554-K557 IonicContact OE2-NZ 3.57Å; E554-A558 PolarHBondContact O-N 2.91Å
555E94.4Very high91.8Very high112 Ų11278.5 Ų78.552%0.52338%0.38SS..Hα-helixtrans-61.3-42.1172.6-71.2173.5-173.200111.4K551 A558 K559K551-E555 WeakPolarHBondContact O-CG 3.5Å; K551-E555 PolarHBondContact O-N 2.62Å; E555-A558 PolarHBondContact O-N 3.42Å; E555-K559 WeakPolarHBondContact O-CB 3.44Å; E555-K559 PolarHBondContact O-N 3.46Å
556S94.4Very high92.6Very high23 Ų2376.7 Ų76.716%0.16137%0.372CS..Hα-helixtrans-64-43.2174.7-63.10000111.4K552 M553 E554 A558 K559 F560 I580K552-S556 WeakPolarHBondContact O-CB 3.49Å; K552-S556 PolarHBondContact O-N 3.06Å; K552-S556 PolarHBondContact O-OG 2.79Å; M553-S556 PolarHBondContact O-N 3.17Å; E554-S556 VanDerWaalsContact C-N 3.32Å; E554-S556 PolarHBondContact O-N 3.46Å; S556-A558 VanDerWaalsContact C-N 3.3Å; S556-A558 PolarHBondContact O-N 2.89Å; S556-K559 WeakPolarHBondContact O-CB 3.48Å; S556-K559 PolarHBondContact O-N 3.48Å; S556-K559 VanDerWaalsContact O-N 3.11Å; S556-F560 VanDerWaalsContact O-CD2 3.28Å; S556-F560 WeakPolarHBondContact O-CD2 3.34Å; S556-F560 PolarHBondContact O-N 3.37Å; S556-I580 WeakPolarHBondContact O-CD1 3.43Å
557K94.2Very high93.3Very high80 Ų8072 Ų7235%0.34835%0.347SS..Hα-helixtrans-55.8-45175.3-77.7172.9-173.7171.40111.6M553 E554 E561 I580M553-K557 VanDerWaalsContact O-CG 3.3Å; M553-K557 WeakPolarHBondContact O-CG 3.18Å; M553-K557 PolarHBondContact O-N 3.01Å; E554-K557 WeakPolarHBondContact O-CB 3.26Å; E554-K557 PolarHBondContact O-N 2.77Å; E554-K557 IonicContact OE1-NZ 2.61Å; E554-K557 PolarHBondContact OE1-NZ 3.28Å; E554-K557 IonicContact OE2-NZ 3.57Å; K557-E561 WeakPolarHBondContact O-CA 3.35Å; K557-E561 WeakPolarHBondContact O-CB 3.49Å; K557-E561 PolarHBondContact O-N 2.8Å; K557-I580 VanDerWaalsContact CA-CD1 3.5Å; K557-I580 HydrophobicContact CG-CB 4.42Å; K557-I580 HydrophobicContact CG-CD1 4.35Å
558A94.1Very high93.7Very high66 Ų6668.1 Ų68.155%0.54533%0.328SS..Hα-helixtrans-64.3-45.7174.700000111.8E554 E555 S556 F560 E561E554-A558 PolarHBondContact O-N 2.91Å; E555-A558 PolarHBondContact O-N 3.42Å; S556-A558 VanDerWaalsContact C-N 3.3Å; S556-A558 PolarHBondContact O-N 2.89Å; A558-F560 VanDerWaalsContact C-N 3.3Å; A558-F560 PolarHBondContact O-N 3.13Å; A558-E561 PolarHBondContact O-N 3.32Å
559K95.3Very high93.9Very high99 Ų9969.2 Ų69.243%0.4333%0.333SS..Hα-helixtrans-58.7-37.7-179.6-176.3-177.5171.4-164.10113.1E555 S556 E636 R639E555-K559 WeakPolarHBondContact O-CB 3.44Å; E555-K559 PolarHBondContact O-N 3.46Å; S556-K559 WeakPolarHBondContact O-CB 3.48Å; S556-K559 PolarHBondContact O-N 3.48Å; S556-K559 VanDerWaalsContact O-N 3.11Å; K559-E636 VanDerWaalsContact CE-OE2 3.25Å; K559-E636 WeakPolarHBondContact CE-OE2 3.26Å; K559-E636 IonicContact NZ-OE1 3.99Å; K559-E636 IonicContact NZ-OE2 2.65Å; K559-E636 PolarHBondContact NZ-OE2 3.06Å; K559-R639 VanDerWaalsContact CE-NE 3.33Å; K559-R639 WeakPolarHBondContact O-CD 3.37Å
560F96.1Very high94.3Very high2 Ų268.1 Ų68.11%0.00933%0.329CS..THydrogen-bonded Turntrans-106.911.3-178.9-57.6-90.7000113.9S556 A558 N562 L563 C564 I580 P630 V635 R639S556-F560 VanDerWaalsContact O-CD2 3.28Å; S556-F560 WeakPolarHBondContact O-CD2 3.34Å; S556-F560 PolarHBondContact O-N 3.37Å; A558-F560 VanDerWaalsContact C-N 3.3Å; A558-F560 PolarHBondContact O-N 3.13Å; F560-N562 VanDerWaalsContact C-N 3.33Å; F560-N562 PolarHBondContact O-N 2.98Å; F560-L563 HydrophobicContact CB-CB 4.39Å; F560-L563 HydrophobicContact CD1-CD2 3.8Å; F560-L563 WeakPolarHBondContact O-CB 3.35Å; F560-L563 PolarHBondContact O-N 3.1Å; F560-C564 PolarHBondContact O-N 3.02Å; F560-C564 PolarHBondContact O-SG 3.32Å; F560-I580 HydrophobicContact CB-CD1 3.67Å; F560-I580 HydrophobicContact CB-CG1 4.35Å; F560-I580 HydrophobicContact CD2-CD1 3.74Å; F560-I580 HydrophobicContact CG-CD1 4.08Å; F560-P630 HydrophobicContact CD2-CB 3.94Å; F560-P630 HydrophobicContact CE2-CB 3.5Å; F560-P630 HydrophobicContact CZ-CB 4.22Å; F560-P630 WeakPolarHBondContact CZ-O 3.3Å; F560-V635 HydrophobicContact CD1-CG1 4Å; F560-V635 HydrophobicContact CE1-CG1 3.71Å; F560-V635 HydrophobicContact CZ-CG1 4.29Å; F560-R639 HydrophobicContact CD1-CB 3.77Å; F560-R639 HydrophobicContact CD1-CG 3.9Å; F560-R639 HydrophobicContact CE1-CB 3.71Å; F560-R639 HydrophobicContact CE1-CG 4.1Å
561E95.3Very high94.6Very high98 Ų9864.1 Ų64.146%0.45831%0.312SS..Hα-helixtrans-55.3-47.3-177.7-171.6-172.3160.400112K557 A558 L563 C564 K565K557-E561 WeakPolarHBondContact O-CA 3.35Å; K557-E561 WeakPolarHBondContact O-CB 3.49Å; K557-E561 PolarHBondContact O-N 2.8Å; A558-E561 PolarHBondContact O-N 3.32Å; E561-L563 VanDerWaalsContact C-N 3.34Å; E561-L563 PolarHBondContact O-N 2.95Å; E561-C564 PolarHBondContact O-N 2.87Å; E561-K565 WeakPolarHBondContact O-CG 3.49Å; E561-K565 PolarHBondContact O-N 3.27Å; E561-K565 VanDerWaalsContact OE1-CE 3.29Å; E561-K565 WeakPolarHBondContact OE1-CE 3.23Å; E561-K565 IonicContact OE1-NZ 2.66Å; E561-K565 PolarHBondContact OE1-NZ 3.2Å
562N94.8Very high94.6Very high119 Ų11962.7 Ų62.764%0.63631%0.31SS*.Hα-helixtrans-67.6-34.2179-70.9-28.7000112.4F560 K565 L566F560-N562 VanDerWaalsContact C-N 3.33Å; F560-N562 PolarHBondContact O-N 2.98Å; N562-K565 PolarHBondContact O-N 3.04Å; N562-L566 WeakPolarHBondContact O-CB 3.43Å; N562-L566 PolarHBondContact O-N 3.37Å
563L95.9Very high94.4Very high3 Ų366.3 Ų66.32%0.01633%0.325CS..Hα-helixtrans-65.5-45.4174.417763.6000110.5F560 E561 K565 L566 M567 V635 L638 R639 A642F560-L563 HydrophobicContact CB-CB 4.39Å; F560-L563 HydrophobicContact CD1-CD2 3.8Å; F560-L563 WeakPolarHBondContact O-CB 3.35Å; F560-L563 PolarHBondContact O-N 3.1Å; E561-L563 VanDerWaalsContact C-N 3.34Å; E561-L563 PolarHBondContact O-N 2.95Å; L563-K565 VanDerWaalsContact C-N 3.32Å; L563-K565 PolarHBondContact O-N 2.89Å; L563-L566 PolarHBondContact O-N 3.31Å; L563-M567 HydrophobicContact CD1-CG 4.1Å; L563-M567 HydrophobicContact CD1-SD 4.07Å; L563-M567 HydrophobicContact CD2-SD 4.42Å; L563-M567 HydrophobicContact CG-CG 4.39Å; L563-M567 HydrophobicContact CG-SD 3.93Å; L563-M567 WeakPolarHBondContact O-CB 3.15Å; L563-M567 VanDerWaalsContact O-CG 3.31Å; L563-M567 WeakPolarHBondContact O-CG 2.94Å; L563-M567 PolarHBondContact O-N 3.3Å; L563-V635 HydrophobicContact CD2-CG1 4.2Å; L563-L638 HydrophobicContact CD1-CB 3.94Å; L563-L638 HydrophobicContact CD2-CB 4.04Å; L563-R639 HydrophobicContact CD2-CB 4.21Å; L563-A642 HydrophobicContact CD1-CB 4.22Å
564C96.2Very high94.4Very high16 Ų1669.1 Ų69.111%0.10834%0.337CS..Hα-helixtrans-60.2-41.8176.9-67.80000111.9F560 E561 M567 K568 V578F560-C564 PolarHBondContact O-N 3.02Å; F560-C564 PolarHBondContact O-SG 3.32Å; E561-C564 PolarHBondContact O-N 2.87Å; C564-M567 PolarHBondContact O-N 2.96Å; C564-K568 WeakPolarHBondContact O-CB 3.15Å; C564-K568 PolarHBondContact O-N 3.34Å; C564-V578 HydrophobicContact CB-CB 4.36Å; C564-V578 HydrophobicContact CB-CG1 4.08Å
565K95.9Very high94.5Very high105 Ų10564.3 Ų64.346%0.45732%0.315SS..Hα-helixtrans-61.4-48.4174.6-72175.3-173.6166.70111.6E561 N562 L563 M567 K568 E569E561-K565 WeakPolarHBondContact O-CG 3.49Å; E561-K565 PolarHBondContact O-N 3.27Å; E561-K565 VanDerWaalsContact OE1-CE 3.29Å; E561-K565 WeakPolarHBondContact OE1-CE 3.23Å; E561-K565 IonicContact OE1-NZ 2.66Å; E561-K565 PolarHBondContact OE1-NZ 3.2Å; N562-K565 PolarHBondContact O-N 3.04Å; L563-K565 VanDerWaalsContact C-N 3.32Å; L563-K565 PolarHBondContact O-N 2.89Å; K565-M567 PolarHBondContact O-N 3.47Å; K565-K568 WeakPolarHBondContact O-CB 3.44Å; K565-K568 PolarHBondContact O-N 3.43Å; K565-K568 VanDerWaalsContact O-N 3.15Å; K565-E569 WeakPolarHBondContact O-CG 3.28Å; K565-E569 PolarHBondContact O-N 2.95Å
566L95Very high94.5Very high12 Ų1263.1 Ų63.16%0.06331%0.31CS..Hα-helixtrans-59.2-45.7177.317761000111.8N562 L563 K568 E569 I570 A642 K646N562-L566 WeakPolarHBondContact O-CB 3.43Å; N562-L566 PolarHBondContact O-N 3.37Å; L563-L566 PolarHBondContact O-N 3.31Å; L566-K568 VanDerWaalsContact C-N 3.31Å; L566-K568 PolarHBondContact O-N 3.39Å; L566-E569 WeakPolarHBondContact O-CB 3.39Å; L566-E569 PolarHBondContact O-N 3.49Å; L566-I570 HydrophobicContact CD1-CD1 4.01Å; L566-I570 HydrophobicContact CD1-CG1 4.3Å; L566-I570 HydrophobicContact CG-CD1 3.8Å; L566-I570 WeakPolarHBondContact O-CD1 3.42Å; L566-I570 VanDerWaalsContact O-CG1 3.28Å; L566-I570 WeakPolarHBondContact O-CG1 3.24Å; L566-I570 PolarHBondContact O-N 2.94Å; L566-A642 HydrophobicContact CD2-CB 3.55Å; L566-K646 HydrophobicContact CD1-CB 4.26Å; L566-K646 HydrophobicContact CD2-CB 4.23Å
567M96.7Very high94.5Very high4 Ų467.4 Ų67.42%0.0233%0.325CS..Hα-helixtrans-64-36.6177.3-69.7178.475.700112L563 C564 K565 E569 I570 L571 V578 L626 I628 V655L563-M567 HydrophobicContact CD1-CG 4.1Å; L563-M567 HydrophobicContact CD1-SD 4.07Å; L563-M567 HydrophobicContact CD2-SD 4.42Å; L563-M567 HydrophobicContact CG-CG 4.39Å; L563-M567 HydrophobicContact CG-SD 3.93Å; L563-M567 WeakPolarHBondContact O-CB 3.15Å; L563-M567 VanDerWaalsContact O-CG 3.31Å; L563-M567 WeakPolarHBondContact O-CG 2.94Å; L563-M567 PolarHBondContact O-N 3.3Å; C564-M567 PolarHBondContact O-N 2.96Å; K565-M567 PolarHBondContact O-N 3.47Å; M567-E569 VanDerWaalsContact C-N 3.33Å; M567-I570 PolarHBondContact O-N 3.3Å; M567-L571 VanDerWaalsContact O-CB 3.25Å; M567-L571 WeakPolarHBondContact O-CB 3.07Å; M567-L571 WeakPolarHBondContact O-CG 3.31Å; M567-L571 PolarHBondContact O-N 2.89Å; M567-V578 HydrophobicContact CB-CG1 4.08Å; M567-V578 HydrophobicContact CB-CG2 4.3Å; M567-L626 HydrophobicContact CE-CD2 3.52Å; M567-I628 HydrophobicContact CE-CD1 3.88Å; M567-I628 HydrophobicContact CE-CG1 4.48Å; M567-I628 HydrophobicContact SD-CD1 3.37Å; M567-I628 WeakPolarHBondContact SD-CD1 3.48Å; M567-I628 HydrophobicContact SD-CG1 4.5Å; M567-V655 HydrophobicContact CB-CG1 4.2Å; M567-V655 HydrophobicContact CE-CG1 4.03Å; M567-V655 HydrophobicContact CG-CG1 3.87Å; M567-V655 HydrophobicContact CG-CG2 4.03Å
568K96.8Very high94.6Very high54 Ų5464.3 Ų64.324%0.23531%0.313CS..Hα-helixtrans-67.2-32.6174.9176.364-159.881.10112.7C564 K565 L566 L571 D572 V575 E576 V578C564-K568 WeakPolarHBondContact O-CB 3.15Å; C564-K568 PolarHBondContact O-N 3.34Å; K565-K568 WeakPolarHBondContact O-CB 3.44Å; K565-K568 PolarHBondContact O-N 3.43Å; K565-K568 VanDerWaalsContact O-N 3.15Å; L566-K568 VanDerWaalsContact C-N 3.31Å; L566-K568 PolarHBondContact O-N 3.39Å; K568-L571 CarbonylContact O-C 3.6Å; K568-D572 IonicContact NZ-OD1 2.74Å; K568-D572 PolarHBondContact NZ-OD1 2.99Å; K568-D572 WeakPolarHBondContact O-CA 3.32Å; K568-D572 PolarHBondContact O-N 2.9Å; K568-V575 HydrophobicContact CD-CG2 4.32Å; K568-V575 VanDerWaalsContact CE-O 3.29Å; K568-V575 WeakPolarHBondContact CE-O 3.23Å; K568-V575 PolarHBondContact NZ-O 3.4Å; K568-E576 WeakPolarHBondContact CE-O 3.23Å; K568-V578 HydrophobicContact CB-CB 4.41Å; K568-V578 HydrophobicContact CB-CG2 3.89Å; K568-V578 HydrophobicContact CD-CG2 4.5Å
569E95.5Very high94.7Very high136 Ų13662.8 Ų62.864%0.63630%0.297SS*.Hα-helixtrans-70.4-44.9172.7-70.9172.5-171.900111.4K565 L566 M567 D572K565-E569 WeakPolarHBondContact O-CG 3.28Å; K565-E569 PolarHBondContact O-N 2.95Å; L566-E569 WeakPolarHBondContact O-CB 3.39Å; L566-E569 PolarHBondContact O-N 3.49Å; M567-E569 VanDerWaalsContact C-N 3.33Å; E569-D572 WeakPolarHBondContact O-CB 3.43Å; E569-D572 PolarHBondContact O-N 3.05Å
570I94.6Very high94.7Very high38 Ų3858.5 Ų58.520%0.19528%0.279CS..Hα-helixtrans-63.6-43.7177.9-66.8161.2000111.1L566 M567 D572 K652 V655 V656L566-I570 HydrophobicContact CD1-CD1 4.01Å; L566-I570 HydrophobicContact CD1-CG1 4.3Å; L566-I570 HydrophobicContact CG-CD1 3.8Å; L566-I570 WeakPolarHBondContact O-CD1 3.42Å; L566-I570 VanDerWaalsContact O-CG1 3.28Å; L566-I570 WeakPolarHBondContact O-CG1 3.24Å; L566-I570 PolarHBondContact O-N 2.94Å; M567-I570 PolarHBondContact O-N 3.3Å; I570-D572 VanDerWaalsContact C-N 3.26Å; I570-D572 PolarHBondContact O-N 3.07Å; I570-K652 HydrophobicContact CD1-CB 4.28Å; I570-K652 HydrophobicContact CD1-CG 3.81Å; I570-K652 HydrophobicContact CG1-CB 4.37Å; I570-K652 HydrophobicContact CG1-CD 4.38Å; I570-K652 HydrophobicContact CG1-CG 3.9Å; I570-K652 HydrophobicContact CG2-CB 4.48Å; I570-V655 HydrophobicContact CB-CG1 4.17Å; I570-V655 HydrophobicContact CD1-CB 4.05Å; I570-V655 HydrophobicContact CD1-CG1 4.04Å; I570-V655 HydrophobicContact CD1-CG2 4.05Å; I570-V655 HydrophobicContact CG2-CB 4.24Å; I570-V655 HydrophobicContact CG2-CG1 3.86Å; I570-V656 HydrophobicContact CG2-CG2 3.8Å
571L94.6Very high94.4Very high2 Ų259 Ų591%0.0128%0.282CS..THydrogen-bonded Turntrans-9629.3-178-56.5172.8000111.3M567 K568 K573 K574 V575 L626 V655 V656 F659M567-L571 VanDerWaalsContact O-CB 3.25Å; M567-L571 WeakPolarHBondContact O-CB 3.07Å; M567-L571 WeakPolarHBondContact O-CG 3.31Å; M567-L571 PolarHBondContact O-N 2.89Å; K568-L571 CarbonylContact O-C 3.6Å; L571-K573 PolarHBondContact O-N 3.13Å; L571-K574 HydrophobicContact CB-CB 4.27Å; L571-K574 WeakPolarHBondContact O-CB 3.36Å; L571-K574 PolarHBondContact O-N 3.18Å; L571-V575 HydrophobicContact CB-CG2 3.81Å; L571-V575 HydrophobicContact CD1-CG2 4.4Å; L571-V575 PolarHBondContact O-N 2.96Å; L571-L626 HydrophobicContact CD1-CD2 3.81Å; L571-V655 HydrophobicContact CD1-CG1 4.05Å; L571-V655 HydrophobicContact CD2-CG1 4.37Å; L571-V655 HydrophobicContact CG-CG1 4.05Å; L571-V656 HydrophobicContact CD2-CG2 4.19Å; L571-F659 HydrophobicContact CD1-CB 3.7Å; L571-F659 HydrophobicContact CD1-CD2 3.94Å; L571-F659 HydrophobicContact CD1-CG 3.9Å; L571-F659 HydrophobicContact CD2-CB 3.66Å; L571-F659 HydrophobicContact CD2-CD1 3.94Å; L571-F659 HydrophobicContact CD2-CD2 4.46Å; L571-F659 HydrophobicContact CD2-CG 3.74Å; L571-F659 HydrophobicContact CG-CB 4.34Å; L571-F659 HydrophobicContact CG-CG 4.42Å
572D91.5Very high94Very high92 Ų9255.3 Ų55.349%0.49227%0.266SS..THydrogen-bonded Turntrans-58.6139.9177-167.949.2000110.4K568 E569 I570 K574K568-D572 IonicContact NZ-OD1 2.74Å; K568-D572 PolarHBondContact NZ-OD1 2.99Å; K568-D572 WeakPolarHBondContact O-CA 3.32Å; K568-D572 PolarHBondContact O-N 2.9Å; E569-D572 WeakPolarHBondContact O-CB 3.43Å; E569-D572 PolarHBondContact O-N 3.05Å; I570-D572 VanDerWaalsContact C-N 3.26Å; I570-D572 PolarHBondContact O-N 3.07Å; D572-K574 PolarHBondContact O-N 3.17Å; D572-K574 VanDerWaalsContact O-N 3.1Å
573K89.4Confident93.9Very high195 Ų19549.8 Ų49.885%0.84824%0.236SC*.THydrogen-bonded Turntrans66-8.4-170.1-46.9179.6-179.9179.30116.9L571L571-K573 PolarHBondContact O-N 3.13Å
574K90.5Very high93.8Very high86 Ų8649.6 Ų49.637%0.37424%0.235SC..THydrogen-bonded Turntrans-94.4-34.1177.3-62.1-76.8-177.41720112.8L571 D572 F659 E671L571-K574 HydrophobicContact CB-CB 4.27Å; L571-K574 WeakPolarHBondContact O-CB 3.36Å; L571-K574 PolarHBondContact O-N 3.18Å; D572-K574 PolarHBondContact O-N 3.17Å; D572-K574 VanDerWaalsContact O-N 3.1Å; K574-F659 HydrophobicContact CB-CE1 3.89Å; K574-F659 HydrophobicContact CB-CE2 4.46Å; K574-F659 HydrophobicContact CB-CZ 3.8Å; K574-F659 HydrophobicContact CD-CE1 4.17Å; K574-F659 HydrophobicContact CG-CE1 4.28Å; K574-E671 IonicContact NZ-OE1 2.8Å; K574-E671 IonicContact NZ-OE2 2.66Å; K574-E671 PolarHBondContact NZ-OE2 2.95Å
575V93.9Very high93.7Very high8 Ų850.6 Ų50.65%0.04824%0.241CC..  trans-133.7146.5177.2-63.10000111.5K568 L571 V578 I591 K624 L626 F659K568-V575 HydrophobicContact CD-CG2 4.32Å; K568-V575 VanDerWaalsContact CE-O 3.29Å; K568-V575 WeakPolarHBondContact CE-O 3.23Å; K568-V575 PolarHBondContact NZ-O 3.4Å; L571-V575 HydrophobicContact CB-CG2 3.81Å; L571-V575 HydrophobicContact CD1-CG2 4.4Å; L571-V575 PolarHBondContact O-N 2.96Å; V575-V578 HydrophobicContact CG2-CG2 3.74Å; V575-I591 HydrophobicContact CG1-CD1 4.42Å; V575-K624 WeakPolarHBondContact CA-O 3.35Å; V575-L626 HydrophobicContact CG1-CB 4.29Å; V575-F659 HydrophobicContact CG1-CD2 3.78Å; V575-F659 HydrophobicContact CG1-CE2 3.26Å; V575-F659 HydrophobicContact CG1-CZ 4.13Å
576E93.1Very high93.7Very high88 Ų8849.1 Ų49.141%0.41124%0.244SC..SBendtrans-80.7-42176.9179.2174.3-14400111.8K568 K623 K624 H625K568-E576 WeakPolarHBondContact CE-O 3.23Å; E576-K623 HydrophobicContact CB-CB 4.25Å; E576-K623 HydrophobicContact CG-CD 4.3Å; E576-K623 WeakPolarHBondContact OE1-CD 3.34Å; E576-K623 WeakPolarHBondContact OE1-CE 3.41Å; E576-K623 IonicContact OE1-NZ 3.99Å; E576-K623 PolarHBondContact OE1-NZ 2.91Å; E576-K623 WeakPolarHBondContact OE2-CB 3.47Å; E576-K623 WeakPolarHBondContact OE2-CD 3.49Å; E576-K623 IonicContact OE2-NZ 2.61Å; E576-K624 PolarHBondContact N-O 3Å; E576-H625 IonicContact OE2-CE1 3.89Å; E576-H625 PolarHBondContact OE2-CE1 3.13Å; E576-H625 IonicContact OE2-ND1 3.91Å; E576-H625 IonicContact OE2-NE2 2.7Å
577K95Very high93.7Very high112 Ų11249.7 Ų49.749%0.48725%0.248SC..EExtended strand (participates in β ladder)trans-138.9141.1-178-169.3179.6175.1-178.10110.2H625 L626K577-H625 HydrophobicContact CB-CB 4.3Å; K577-H625 WeakPolarHBondContact CB-ND1 3.27Å; K577-H625 PolarHBondContact N-ND1 3.31Å; K577-H625 CarbonylContact O-C 3.46Å; K577-H625 VanDerWaalsContact O-CA 3.28Å; K577-H625 WeakPolarHBondContact O-CA 3.48Å; K577-L626 PolarHBondContact O-N 3.4Å
578V96.9Very high93.7Very high15 Ų1550.6 Ų50.69%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-113.9127.1167-1760000107.4C564 M567 K568 V575 L626 I628C564-V578 HydrophobicContact CB-CB 4.36Å; C564-V578 HydrophobicContact CB-CG1 4.08Å; M567-V578 HydrophobicContact CB-CG1 4.08Å; M567-V578 HydrophobicContact CB-CG2 4.3Å; K568-V578 HydrophobicContact CB-CB 4.41Å; K568-V578 HydrophobicContact CB-CG2 3.89Å; K568-V578 HydrophobicContact CD-CG2 4.5Å; V575-V578 HydrophobicContact CG2-CG2 3.74Å; V578-L626 CarbonylContact C-O 3.53Å; V578-L626 WeakPolarHBondContact CA-O 3.28Å; V578-L626 HydrophobicContact CG1-CB 4.36Å; V578-L626 HydrophobicContact CG1-CD2 4.13Å; V578-L626 HydrophobicContact CG1-CG 4.41Å; V578-L626 HydrophobicContact CG2-CB 4.2Å; V578-L626 HydrophobicContact CG2-CD2 4.34Å; V578-I628 HydrophobicContact CG1-CD1 3.49Å; V578-I628 VanDerWaalsContact CG1-CD1 3.49Å; V578-I628 HydrophobicContact CG1-CG1 4.23Å
579T96.2Very high93.7Very high35 Ų3548.3 Ų48.322%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-148.4163.8-176.4-170.30000111L626 E627 I628T579-L626 PolarHBondContact N-O 3.07Å; T579-E627 HydrophobicContact CG2-CG 4.03Å; T579-E627 CarbonylContact O-C 3.56Å; T579-E627 VanDerWaalsContact O-CA 3.28Å; T579-E627 WeakPolarHBondContact O-CA 3.22Å; T579-I628 PolarHBondContact O-N 3.03Å
580I94.3Very high93.8Very high9 Ų942 Ų425%0.04622%0.216CC..EExtended strand (participates in β ladder)trans-85.3147.2169.9-50.7-178.7000109.2M553 S556 K557 F560 I628 P630M553-I580 HydrophobicContact CE-CG2 3.88Å; S556-I580 WeakPolarHBondContact O-CD1 3.43Å; K557-I580 VanDerWaalsContact CA-CD1 3.5Å; K557-I580 HydrophobicContact CG-CB 4.42Å; K557-I580 HydrophobicContact CG-CD1 4.35Å; F560-I580 HydrophobicContact CB-CD1 3.67Å; F560-I580 HydrophobicContact CB-CG1 4.35Å; F560-I580 HydrophobicContact CD2-CD1 3.74Å; F560-I580 HydrophobicContact CG-CD1 4.08Å; I580-I628 WeakPolarHBondContact CA-O 3.4Å; I580-I628 WeakPolarHBondContact CG2-O 3.45Å; I580-P630 HydrophobicContact CD1-CB 4.5Å; I580-P630 HydrophobicContact CG2-CB 3.87Å; I580-P630 VanDerWaalsContact CG2-CD 3.48Å; I580-P630 HydrophobicContact CG2-CG 3.56Å
581S89.9Confident93.9Very high12 Ų1240.2 Ų40.28%0.08421%0.207CC..  trans-142.6144173.7-178.80000111R583 E627 I628S581-R583 WeakPolarHBondContact OG-CG 3.26Å; S581-R583 PolarHBondContact OG-N 3.11Å; S581-E627 VanDerWaalsContact CB-CD 3.41Å; S581-E627 WeakPolarHBondContact CB-OE2 3.36Å; S581-E627 PolarHBondContact OG-OE2 3.29Å; S581-I628 PolarHBondContact N-O 3.11Å
582N88.1Confident94Very high20 Ų2040.1 Ų40.111%0.10721%0.206CC..SBendtrans-90.4-1.7175.261.71.2000113R502 E545 M553 L584R502-N582 WeakPolarHBondContact CB-O 3.46Å; R502-N582 WeakPolarHBondContact CD-O 3.42Å; R502-N582 WeakPolarHBondContact CG-O 3.47Å; R502-N582 PolarHBondContact NE-O 3.02Å; E545-N582 PolarHBondContact OE1-ND2 3.45Å; E545-N582 PolarHBondContact OE2-ND2 3.33Å; M553-N582 HydrophobicContact CE-CB 3.83Å; M553-N582 HydrophobicContact CG-CB 4.27Å; M553-N582 HydrophobicContact SD-CB 3.74Å; N582-L584 PolarHBondContact O-N 2.95Å
583R91.4Very high94Very high3 Ų335.9 Ų35.91%0.01118%0.184CC..SBendtrans-65.4-20.817883.6174.672.9-1637.8113.3R502 V536 K538 L541 S581 E627R502-R583 VanDerWaalsContact CB-C 3.45Å; R502-R583 WeakPolarHBondContact CB-O 3.33Å; R502-R583 PolarHBondContact N-O 3.47Å; V536-R583 PolarHBondContact O-NH1 3.33Å; K538-R583 VanDerWaalsContact O-CZ 3.3Å; K538-R583 PolarHBondContact O-NH1 3.24Å; K538-R583 PolarHBondContact O-NH2 3.3Å; L541-R583 VanDerWaalsContact CB-CZ 3.47Å; L541-R583 HydrophobicContact CD2-CB 4.16Å; S581-R583 WeakPolarHBondContact OG-CG 3.26Å; S581-R583 PolarHBondContact OG-N 3.11Å; R583-E627 VanDerWaalsContact CD-OE2 3.28Å; R583-E627 WeakPolarHBondContact CD-OE2 3.33Å; R583-E627 IonicContact CZ-OE1 3.1Å; R583-E627 IonicContact CZ-OE2 2.84Å; R583-E627 IonicContact NE-OE1 3.25Å; R583-E627 PolarHBondContact NE-OE1 3.31Å; R583-E627 IonicContact NE-OE2 3.47Å; R583-E627 PolarHBondContact NE-OE2 3.18Å; R583-E627 IonicContact NH2-OE1 2.8Å; R583-E627 PolarHBondContact NH2-OE1 3.3Å; R583-E627 IonicContact NH2-OE2 2.82Å
584L94.2Very high94.1Very high0 Ų027.3 Ų27.30%015%0.148CC..  trans-88150.9-177.8-54.8179.1000111A498 R502 N582 C590 N629A498-L584 HydrophobicContact CB-CD2 3.99Å; R502-L584 PolarHBondContact NH2-O 3.16Å; N582-L584 PolarHBondContact O-N 2.95Å; L584-C590 HydrophobicContact CD1-CB 4.04Å; L584-C590 HydrophobicContact CD2-CB 3.59Å; L584-C590 HydrophobicContact CG-CB 4.44Å; L584-N629 HydrophobicContact CB-CB 3.91Å; L584-N629 HydrophobicContact CD1-CB 4.15Å
585V94.8Very high94Very high37 Ų3726.2 Ų26.222%0.22415%0.149CC..SBendtrans-128.8-62.6175.8178.50000111.1E501 R502 K505 N629E501-V585 HydrophobicContact CB-CB 3.77Å; E501-V585 HydrophobicContact CB-CG2 3.59Å; E501-V585 WeakPolarHBondContact OE2-CA 3.32Å; E501-V585 WeakPolarHBondContact OE2-CB 3.42Å; E501-V585 PolarHBondContact OE2-N 2.63Å; R502-V585 HydrophobicContact CB-CG2 4.16Å; K505-V585 HydrophobicContact CD-CG1 4.01Å; K505-V585 HydrophobicContact CD-CG2 3.8Å; K505-V585 VanDerWaalsContact CE-CG1 3.46Å; K505-V585 HydrophobicContact CG-CG2 4.34Å; V585-N629 PolarHBondContact O-ND2 3.29Å
586S94.7Very high93.5Very high74 Ų7435 Ų3552%0.51718%0.183SC..SBendtrans-93.6-31.5-175.5800000111.8E501 H632E501-S586 WeakPolarHBondContact OE1-CB 3.44Å; E501-S586 PolarHBondContact OE1-OG 3.18Å; E501-S586 PolarHBondContact OE2-N 3.15Å; S586-H632 PolarHBondContact O-CD2 3.07Å; S586-H632 PolarHBondContact O-NE2 3.25Å
587S95.4Very high93.2Very high23 Ų2332.6 Ų32.616%0.16118%0.182CC..  trans-74.8140.8-179-170.60000112C589 N629S587-C589 PolarHBondContact OG-N 2.96Å; S587-C589 PolarHBondContact OG-O 3.13Å; S587-N629 WeakPolarHBondContact O-CB 3.46Å; S587-N629 PolarHBondContact O-ND2 2.81Å
588P96.7Very high92.9Very high23 Ų2327.9 Ų27.915%0.14916%0.161CC..SBendtrans-66.9-35171.124.2-32.8000113N629 H632 V635 L658P588-N629 PolarHBondContact O-N 3.38Å; P588-H632 HydrophobicContact CB-CB 4.29Å; P588-V635 HydrophobicContact CB-CG2 4.08Å; P588-V635 WeakPolarHBondContact O-CG2 3.32Å; P588-L658 HydrophobicContact CG-CD2 4.08Å
589C97Very high92.7Very high7 Ų727.6 Ų27.65%0.04716%0.159CC..EExtended strand (participates in β ladder)trans-159.9167.6-178.962.50000111.8S587 L626 E627 I628S587-C589 PolarHBondContact OG-N 2.96Å; S587-C589 PolarHBondContact OG-O 3.13Å; C589-L626 HydrophobicContact CB-CD1 3.8Å; C589-L626 HydrophobicContact CB-CG 4.48Å; C589-E627 CarbonylContact C-O 3.55Å; C589-E627 WeakPolarHBondContact CA-O 3.35Å; C589-E627 WeakPolarHBondContact CB-O 3.39Å; C589-I628 HydrophobicContact CB-CG1 4.38Å
590C97.1Very high92.5Very high2 Ų226.4 Ų26.41%0.01415%0.153CC..EExtended strand (participates in β ladder)trans-152.5150-179.6-177.20000110.5F499 L584 E627 S666F499-C590 WeakPolarHBondContact CE1-SG 3.24Å; F499-C590 WeakPolarHBondContact CZ-SG 3.48Å; L584-C590 HydrophobicContact CD1-CB 4.04Å; L584-C590 HydrophobicContact CD2-CB 3.59Å; L584-C590 HydrophobicContact CG-CB 4.44Å; C590-E627 PolarHBondContact N-O 3.23Å; C590-E627 PolarHBondContact O-N 3.41Å; C590-S666 PolarHBondContact SG-OG 3Å
591I96.7Very high92.5Very high1 Ų126.6 Ų26.61%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-96.2118.9175.3-57-60.6000109.3F499 V575 K624 H625 L626 F659 A662 L663 S666 F668F499-I591 WeakPolarHBondContact CZ-O 3.22Å; V575-I591 HydrophobicContact CG1-CD1 4.42Å; I591-K624 HydrophobicContact CG2-CB 3.88Å; I591-K624 HydrophobicContact CG2-CD 4.39Å; I591-K624 HydrophobicContact CG2-CG 4.18Å; I591-H625 CarbonylContact C-O 3.54Å; I591-H625 WeakPolarHBondContact CA-O 3.37Å; I591-L626 HydrophobicContact CD1-CB 4.14Å; I591-L626 HydrophobicContact CD1-CD1 3.51Å; I591-L626 HydrophobicContact CD1-CG 4.42Å; I591-F659 HydrophobicContact CD1-CD2 3.65Å; I591-F659 HydrophobicContact CD1-CE2 3.58Å; I591-F659 HydrophobicContact CG1-CE2 4.39Å; I591-A662 HydrophobicContact CD1-CB 4.34Å; I591-A662 HydrophobicContact CG1-CB 3.98Å; I591-L663 HydrophobicContact CG1-CB 4.33Å; I591-L663 HydrophobicContact CG1-CD1 4.12Å; I591-L663 HydrophobicContact CG2-CD1 4.21Å; I591-S666 PolarHBondContact N-OG 2.8Å; I591-S666 WeakPolarHBondContact O-CB 3.49Å; I591-S666 PolarHBondContact O-OG 2.85Å; I591-F668 HydrophobicContact CB-CD2 4.29Å; I591-F668 HydrophobicContact CB-CE2 4.08Å; I591-F668 HydrophobicContact CG2-CD2 3.96Å; I591-F668 HydrophobicContact CG2-CE2 3.48Å; I591-F668 VanDerWaalsContact CG2-CE2 3.48Å; I591-F668 HydrophobicContact CG2-CZ 4.22Å
592V96.1Very high92.5Very high0 Ų026.1 Ų26.10%015%0.151CC..EExtended strand (participates in β ladder)trans-104.2152.9176.8-47.80000110.7F499 E539 H625 E627F499-V592 HydrophobicContact CE1-CB 4.45Å; F499-V592 HydrophobicContact CE1-CG1 3.66Å; F499-V592 HydrophobicContact CZ-CG1 4.26Å; E539-V592 HydrophobicContact CB-CG2 3.93Å; V592-H625 HydrophobicContact CG2-CB 3.74Å; V592-H625 PolarHBondContact N-O 3.42Å; V592-H625 PolarHBondContact O-N 3.1Å; V592-E627 HydrophobicContact CG1-CB 4.26Å; V592-E627 VanDerWaalsContact CG1-CD 3.4Å; V592-E627 HydrophobicContact CG1-CG 3.78Å; V592-E627 HydrophobicContact CG2-CG 4.02Å
593T92.8Very high92.7Very high3 Ų325.8 Ų25.82%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-90.6145.9176.552.20000109.9T537 K538 E539 F668T537-T593 PolarHBondContact O-N 2.69Å; T537-T593 VanDerWaalsContact O-N 3.1Å; T537-T593 PolarHBondContact O-OG1 3.42Å; K538-T593 CarbonylContact C-O 3.56Å; K538-T593 WeakPolarHBondContact CA-O 3.47Å; E539-T593 PolarHBondContact N-O 3.2Å; T593-F668 HydrophobicContact CG2-CE1 4.18Å; T593-F668 HydrophobicContact CG2-CE2 4.21Å; T593-F668 HydrophobicContact CG2-CZ 3.41Å; T593-F668 VanDerWaalsContact CG2-CZ 3.41Å
594S91Very high92.6Very high15 Ų1529.8 Ų29.811%0.10516%0.164CC..  trans-58.4158.2170.352.70000111.6E539 Y596 A622 K623E539-S594 WeakPolarHBondContact OE1-CA 3.39Å; S594-Y596 PolarHBondContact O-N 2.84Å; S594-Y596 PolarHBondContact OG-O 3.49Å; S594-A622 WeakPolarHBondContact OG-CB 3.34Å; S594-K623 PolarHBondContact N-O 3.05Å; S594-K623 PolarHBondContact OG-N 3.4Å
595T87.6Confident92.5Very high63 Ų6330.8 Ų30.839%0.38717%0.169SC..SBendtrans-56-34.6177.445.50000112.9K538 E539K538-T595 PolarHBondContact NZ-O 3.34Å; E539-T595 HydrophobicContact CG-CG2 3.82Å; E539-T595 PolarHBondContact OE1-N 3.02Å; E539-T595 VanDerWaalsContact OE1-N 3.08Å
596Y85.1Confident92.2Very high192 Ų19230 Ų3075%0.75316%0.163SC*.SBendtrans-102.9154.7175.5-56.1-79.5000111.9S594S594-Y596 PolarHBondContact O-N 2.84Å; S594-Y596 PolarHBondContact OG-O 3.49Å
597G86Confident91.8Very high39 Ų3931 Ų3140%0.40216%0.158SC..SBendtrans91.3-174-178.400000113.5M620G597-M620 WeakPolarHBondContact CA-O 3.17Å
598W89Confident91.5Very high12 Ų1234 Ų345%0.04518%0.184CC..  trans-76.6137.8-177.8-70.3-14.1000113.1M602 E603 M606 M617 M620 M621 A622W598-M602 HydrophobicContact CB-CB 3.95Å; W598-M602 HydrophobicContact CB-CG 3.81Å; W598-M602 HydrophobicContact CD2-CG 4.11Å; W598-M602 HydrophobicContact CG-CB 4.19Å; W598-M602 HydrophobicContact CG-CG 3.48Å; W598-M602 VanDerWaalsContact CG-CG 3.48Å; W598-E603 HydrophobicContact CB-CB 4.38Å; W598-E603 HydrophobicContact CE3-CB 4.41Å; W598-M606 HydrophobicContact CD2-CG 4.41Å; W598-M606 HydrophobicContact CE3-CB 4.32Å; W598-M606 HydrophobicContact CH2-CB 3.95Å; W598-M606 HydrophobicContact CH2-CG 4.31Å; W598-M606 HydrophobicContact CZ2-CB 4.16Å; W598-M606 HydrophobicContact CZ2-CG 4.01Å; W598-M606 HydrophobicContact CZ2-SD 4.37Å; W598-M606 HydrophobicContact CZ3-CB 4Å; W598-M617 HydrophobicContact CH2-CG 4.13Å; W598-M617 HydrophobicContact CZ3-CG 3.97Å; W598-M620 HydrophobicContact CD2-CB 3.71Å; W598-M620 VanDerWaalsContact CE2-CB 3.41Å; W598-M620 HydrophobicContact CE3-CB 4.12Å; W598-M620 HydrophobicContact CG-CB 4.2Å; W598-M620 HydrophobicContact CH2-CB 3.91Å; W598-M620 HydrophobicContact CH2-CG 4.37Å; W598-M620 HydrophobicContact CZ2-CB 3.55Å; W598-M620 HydrophobicContact CZ2-CE 3.75Å; W598-M620 HydrophobicContact CZ2-CG 3.74Å; W598-M620 HydrophobicContact CZ2-SD 4.13Å; W598-M620 HydrophobicContact CZ3-CB 4.2Å; W598-M620 PolarHBondContact N-O 3.41Å; W598-M620 PolarHBondContact NE1-SD 3.2Å; W598-M620 VanDerWaalsContact NE1-SD 3.41Å; W598-M621 HydrophobicContact CD2-CE 4.49Å; W598-M621 HydrophobicContact CE3-CE 3.28Å; W598-M621 HydrophobicContact CZ3-CE 3.3Å; W598-A622 WeakPolarHBondContact O-CB 3.39Å
599T92.4Very high90.9Very high9 Ų937.3 Ų37.36%0.05520%0.198CC..  trans-66.1165.916563.30000110.1E519 N601 M602 E603E519-T599 PolarHBondContact OE1-OG1 3.12Å; E519-T599 PolarHBondContact OE2-OG1 3.4Å; T599-N601 VanDerWaalsContact C-N 3.26Å; T599-N601 PolarHBondContact O-N 3.09Å; T599-M602 PolarHBondContact O-N 3.23Å; T599-M602 VanDerWaalsContact OG1-CB 3.22Å; T599-M602 WeakPolarHBondContact OG1-CB 3.41Å; T599-M602 PolarHBondContact OG1-N 3.43Å; T599-E603 WeakPolarHBondContact O-CB 3.41Å; T599-E603 PolarHBondContact O-N 3.39Å
600A92.7Very high90Very high11 Ų1141.9 Ų41.99%0.09124%0.236CC..Hα-helixtrans-55.7-43.1173.600000112E603 R604 S666 F668A600-E603 PolarHBondContact O-N 2.95Å; A600-R604 WeakPolarHBondContact O-CB 3.3Å; A600-R604 PolarHBondContact O-N 3.08Å; A600-S666 WeakPolarHBondContact CB-O 2.85Å; A600-F668 HydrophobicContact CB-CD1 3.73Å; A600-F668 HydrophobicContact CB-CD2 3.78Å; A600-F668 HydrophobicContact CB-CE1 3.71Å; A600-F668 HydrophobicContact CB-CE2 3.76Å; A600-F668 HydrophobicContact CB-CG 3.8Å; A600-F668 HydrophobicContact CB-CZ 3.77Å
601N92.9Very high89.2Confident13 Ų1349.9 Ų49.97%0.0728%0.278CS..Hα-helixtrans-70.1-38.9179.2-174.249.1000112.6E519 T599 R604 I605E519-N601 WeakPolarHBondContact CG-ND2 3.39Å; E519-N601 WeakPolarHBondContact OE1-CB 3.44Å; E519-N601 PolarHBondContact OE1-ND2 3.4Å; T599-N601 VanDerWaalsContact C-N 3.26Å; T599-N601 PolarHBondContact O-N 3.09Å; N601-R604 WeakPolarHBondContact O-CB 3.28Å; N601-R604 PolarHBondContact O-N 3.1Å; N601-R604 PolarHBondContact OD1-NE 2.9Å; N601-R604 PolarHBondContact OD1-NH2 3.21Å; N601-I605 WeakPolarHBondContact O-CD1 3.34Å; N601-I605 VanDerWaalsContact O-CG1 3.28Å; N601-I605 WeakPolarHBondContact O-CG1 3.47Å; N601-I605 PolarHBondContact O-N 2.84Å
602M91.6Very high88.2Confident2 Ų251.7 Ų51.71%0.0129%0.285CS..Hα-helixtrans-62.4-44.8171.8-176.665.660.500112E519 Q523 W598 T599 R604 I605 M606E519-M602 HydrophobicContact CB-CE 3.43Å; E519-M602 VanDerWaalsContact CB-CE 3.43Å; E519-M602 HydrophobicContact CB-SD 4.47Å; E519-M602 HydrophobicContact CG-CE 3.99Å; E519-M602 WeakPolarHBondContact OE2-CE 3.32Å; Q523-M602 HydrophobicContact CG-CE 4.3Å; W598-M602 HydrophobicContact CB-CB 3.95Å; W598-M602 HydrophobicContact CB-CG 3.81Å; W598-M602 HydrophobicContact CD2-CG 4.11Å; W598-M602 HydrophobicContact CG-CB 4.19Å; W598-M602 HydrophobicContact CG-CG 3.48Å; W598-M602 VanDerWaalsContact CG-CG 3.48Å; T599-M602 PolarHBondContact O-N 3.23Å; T599-M602 VanDerWaalsContact OG1-CB 3.22Å; T599-M602 WeakPolarHBondContact OG1-CB 3.41Å; T599-M602 PolarHBondContact OG1-N 3.43Å; M602-R604 VanDerWaalsContact C-N 3.28Å; M602-R604 PolarHBondContact O-N 2.93Å; M602-I605 PolarHBondContact O-N 3.15Å; M602-M606 HydrophobicContact CG-CG 4.09Å; M602-M606 VanDerWaalsContact O-CB 3.3Å; M602-M606 WeakPolarHBondContact O-CB 3.28Å; M602-M606 WeakPolarHBondContact O-CG 3.33Å; M602-M606 PolarHBondContact O-N 2.94Å; M602-M606 HydrophobicContact SD-CE 3.48Å; M602-M606 WeakPolarHBondContact SD-CE 3.45Å; M602-M606 HydrophobicContact SD-CG 3.82Å
603E90.6Very high87.2Confident12 Ų1256.6 Ų56.66%0.05631%0.311CS..Hα-helixtrans-57.4-45.3177.4174.2177.6166.900110.6W598 T599 A600 K607 M621 K624W598-E603 HydrophobicContact CB-CB 4.38Å; W598-E603 HydrophobicContact CE3-CB 4.41Å; T599-E603 WeakPolarHBondContact O-CB 3.41Å; T599-E603 PolarHBondContact O-N 3.39Å; A600-E603 PolarHBondContact O-N 2.95Å; E603-K607 HydrophobicContact CG-CD 3.95Å; E603-K607 VanDerWaalsContact O-CB 3.27Å; E603-K607 WeakPolarHBondContact O-CB 3.42Å; E603-K607 VanDerWaalsContact O-CG 3.26Å; E603-K607 WeakPolarHBondContact O-CG 3.41Å; E603-K607 PolarHBondContact O-N 3.25Å; E603-K607 WeakPolarHBondContact OE1-CE 3.46Å; E603-K607 IonicContact OE1-NZ 3.02Å; E603-K607 PolarHBondContact OE1-NZ 3.02Å; E603-M621 HydrophobicContact CG-CE 3.98Å; E603-M621 HydrophobicContact CG-SD 4.19Å; E603-K624 IonicContact OE2-NZ 3.65Å
604R90.8Very high86.4Confident87 Ų8761.6 Ų61.633%0.32834%0.337SS..Hα-helixtrans-60.2-51.1176-176.9-170.866.783.39.8112.4E489 A600 N601 M602 M606 K607 A608E489-R604 WeakPolarHBondContact OE1-CD 3.36Å; E489-R604 IonicContact OE1-CZ 2.67Å; E489-R604 VanDerWaalsContact OE1-CZ 3.26Å; E489-R604 IonicContact OE1-NE 3.54Å; E489-R604 PolarHBondContact OE1-NE 3.17Å; E489-R604 IonicContact OE1-NH1 2.75Å; E489-R604 PolarHBondContact OE1-NH1 2.75Å; A600-R604 WeakPolarHBondContact O-CB 3.3Å; A600-R604 PolarHBondContact O-N 3.08Å; N601-R604 WeakPolarHBondContact O-CB 3.28Å; N601-R604 PolarHBondContact O-N 3.1Å; N601-R604 PolarHBondContact OD1-NE 2.9Å; N601-R604 PolarHBondContact OD1-NH2 3.21Å; M602-R604 VanDerWaalsContact C-N 3.28Å; M602-R604 PolarHBondContact O-N 2.93Å; R604-M606 PolarHBondContact O-N 2.96Å; R604-K607 PolarHBondContact O-N 3.35Å; R604-A608 PolarHBondContact O-N 2.84Å
605I91.1Very high85.7Confident21 Ų2164.5 Ų64.511%0.10836%0.358CS..Hα-helixtrans-59.2-49.4179.5-69162.3000110.5P516 E519 Y520 N601 M602 K607 A608 Q609P516-I605 HydrophobicContact CB-CD1 3.9Å; P516-I605 HydrophobicContact CB-CG1 4.14Å; P516-I605 HydrophobicContact CB-CG2 4.5Å; E519-I605 HydrophobicContact CB-CD1 3.99Å; E519-I605 HydrophobicContact CG-CD1 3.8Å; Y520-I605 HydrophobicContact CE2-CG2 4.14Å; N601-I605 WeakPolarHBondContact O-CD1 3.34Å; N601-I605 VanDerWaalsContact O-CG1 3.28Å; N601-I605 WeakPolarHBondContact O-CG1 3.47Å; N601-I605 PolarHBondContact O-N 2.84Å; M602-I605 PolarHBondContact O-N 3.15Å; I605-K607 PolarHBondContact O-N 2.86Å; I605-A608 PolarHBondContact O-N 3.38Å; I605-Q609 PolarHBondContact O-N 3.28Å
606M88.7Confident84.9Confident22 Ų2264.6 Ų64.611%0.10836%0.358CS..Hα-helixtrans-68.7-35.6-175.1-67.2-78.4-177.500111.7Y520 W598 M602 R604 A608 Q609 R612Y520-M606 HydrophobicContact CD1-CE 4.44Å; Y520-M606 HydrophobicContact CE1-CE 3.39Å; Y520-M606 VanDerWaalsContact CZ-CE 3.49Å; Y520-M606 WeakPolarHBondContact OH-CE 3.26Å; W598-M606 HydrophobicContact CD2-CG 4.41Å; W598-M606 HydrophobicContact CE3-CB 4.32Å; W598-M606 HydrophobicContact CH2-CB 3.95Å; W598-M606 HydrophobicContact CH2-CG 4.31Å; W598-M606 HydrophobicContact CZ2-CB 4.16Å; W598-M606 HydrophobicContact CZ2-CG 4.01Å; W598-M606 HydrophobicContact CZ2-SD 4.37Å; W598-M606 HydrophobicContact CZ3-CB 4Å; M602-M606 HydrophobicContact CG-CG 4.09Å; M602-M606 VanDerWaalsContact O-CB 3.3Å; M602-M606 WeakPolarHBondContact O-CB 3.28Å; M602-M606 WeakPolarHBondContact O-CG 3.33Å; M602-M606 PolarHBondContact O-N 2.94Å; M602-M606 HydrophobicContact SD-CE 3.48Å; M602-M606 WeakPolarHBondContact SD-CE 3.45Å; M602-M606 HydrophobicContact SD-CG 3.82Å; R604-M606 PolarHBondContact O-N 2.96Å; M606-A608 VanDerWaalsContact C-N 3.28Å; M606-A608 PolarHBondContact O-N 3.24Å; M606-Q609 PolarHBondContact O-N 2.93Å; M606-R612 VanDerWaalsContact C-CZ 3.41Å; M606-R612 PolarHBondContact O-NE 2.96Å; M606-R612 PolarHBondContact O-NH1 3.35Å; M606-R612 VanDerWaalsContact O-NH1 3.16Å; M606-R612 PolarHBondContact O-NH2 2.93Å
607K86.6Confident84.4Confident94 Ų9457.2 Ų57.241%0.40933%0.331SS..Hα-helixtrans-66-27.8173.8-80.6176.7169.3177.60113.3E603 R604 I605 Q609 M617E603-K607 HydrophobicContact CG-CD 3.95Å; E603-K607 VanDerWaalsContact O-CB 3.27Å; E603-K607 WeakPolarHBondContact O-CB 3.42Å; E603-K607 VanDerWaalsContact O-CG 3.26Å; E603-K607 WeakPolarHBondContact O-CG 3.41Å; E603-K607 PolarHBondContact O-N 3.25Å; E603-K607 WeakPolarHBondContact OE1-CE 3.46Å; E603-K607 IonicContact OE1-NZ 3.02Å; E603-K607 PolarHBondContact OE1-NZ 3.02Å; R604-K607 PolarHBondContact O-N 3.35Å; I605-K607 PolarHBondContact O-N 2.86Å; K607-Q609 VanDerWaalsContact C-N 3.31Å; K607-M617 HydrophobicContact CD-CE 4.21Å; K607-M617 HydrophobicContact CG-CE 3.91Å; K607-M617 HydrophobicContact CG-SD 4.42Å
608A88.2Confident83.8Confident85 Ų8558.3 Ų58.370%0.70234%0.343SS*.THydrogen-bonded Turntrans-82.3-6.6178.200000113.6R604 I605 M606 A610R604-A608 PolarHBondContact O-N 2.84Å; I605-A608 PolarHBondContact O-N 3.38Å; M606-A608 VanDerWaalsContact C-N 3.28Å; M606-A608 PolarHBondContact O-N 3.24Å; A608-A610 PolarHBondContact O-N 2.84Å
609Q85.4Confident82.9Confident94 Ų9468.2 Ų68.244%0.43938%0.382SS..  trans-85.2112-177.2-172169.7-21.400111.7Y520 I605 M606 K607 L611 R612Y520-Q609 PolarHBondContact OH-OE1 3.33Å; I605-Q609 PolarHBondContact O-N 3.28Å; M606-Q609 PolarHBondContact O-N 2.93Å; K607-Q609 VanDerWaalsContact C-N 3.31Å; Q609-L611 VanDerWaalsContact C-N 3.35Å; Q609-L611 PolarHBondContact O-N 2.82Å; Q609-R612 HydrophobicContact CB-CB 4.43Å; Q609-R612 PolarHBondContact O-N 2.88Å
610A78.6Confident82.4Confident103 Ų10371.9 Ų71.985%0.85140%0.399SS*.THydrogen-bonded Turntrans-60.3-34-171.200000115.4A608A608-A610 PolarHBondContact O-N 2.84Å
611L80.4Confident81.7Confident170 Ų17073.8 Ų73.889%0.8941%0.407SS*.THydrogen-bonded Turntrans-91.28.4-173.8-61.9177.1000114.2Q609Q609-L611 VanDerWaalsContact C-N 3.35Å; Q609-L611 PolarHBondContact O-N 2.82Å
612R75.2Confident81Confident39 Ų3973.5 Ų73.515%0.14741%0.406CS..  trans-89.6132.2-173.5-168.2-164.463.5176.4-9.7111.3M606 Q609 N614 M617M606-R612 VanDerWaalsContact C-CZ 3.41Å; M606-R612 PolarHBondContact O-NE 2.96Å; M606-R612 PolarHBondContact O-NH1 3.35Å; M606-R612 VanDerWaalsContact O-NH1 3.16Å; M606-R612 PolarHBondContact O-NH2 2.93Å; Q609-R612 HydrophobicContact CB-CB 4.43Å; Q609-R612 PolarHBondContact O-N 2.88Å; R612-N614 PolarHBondContact NH2-OD1 2.85Å; R612-N614 PolarHBondContact O-N 3.18Å; R612-M617 PolarHBondContact NH2-SD 2.92Å
613D75.3Confident80.8Confident103 Ų10379.2 Ų79.255%0.55143%0.431SS*.  trans-69.9118.3170.3-177.84.3000111.3S615 T616D613-S615 PolarHBondContact O-N 3.4Å; D613-S615 WeakPolarHBondContact OD1-CB 3.28Å; D613-S615 PolarHBondContact OD1-N 3.43Å; D613-S615 PolarHBondContact OD1-OG 3.21Å; D613-S615 PolarHBondContact OD2-OG 3.09Å; D613-T616 PolarHBondContact O-OG1 3.48Å
614N75.3Confident80.9Confident108 Ų10880.8 Ų80.858%0.57844%0.437SS*.G310 helixtrans-67.7-17.3179.5-73.4-31000113.6R612 T616 M617R612-N614 PolarHBondContact NH2-OD1 2.85Å; R612-N614 PolarHBondContact O-N 3.18Å; N614-T616 PolarHBondContact O-N 3.1Å; N614-M617 HydrophobicContact CB-SD 4.48Å; N614-M617 WeakPolarHBondContact O-CB 3.35Å; N614-M617 PolarHBondContact O-N 2.98Å; N614-M617 VanDerWaalsContact O-N 3.17Å
615S76.2Confident81.1Confident76 Ų7677.1 Ų77.153%0.53142%0.424SS..G310 helixtrans-60.2-31.9-179.976.50000112.8D613 M617D613-S615 PolarHBondContact O-N 3.4Å; D613-S615 WeakPolarHBondContact OD1-CB 3.28Å; D613-S615 PolarHBondContact OD1-N 3.43Å; D613-S615 PolarHBondContact OD1-OG 3.21Å; D613-S615 PolarHBondContact OD2-OG 3.09Å; S615-M617 VanDerWaalsContact C-N 3.34Å; S615-M617 PolarHBondContact O-N 3.06Å
616T71.8Confident81.4Confident65 Ų6576.1 Ų76.140%0.39942%0.419SS..G310 helixtrans-80.2-13.6-177.961.60000113.7D613 N614 G618 Y619D613-T616 PolarHBondContact O-OG1 3.48Å; N614-T616 PolarHBondContact O-N 3.1Å; T616-G618 VanDerWaalsContact C-N 3.3Å; T616-G618 PolarHBondContact O-N 3.49Å; T616-Y619 PolarHBondContact O-N 3.37Å
617M73.2Confident81.8Confident36 Ų3675.5 Ų75.518%0.17742%0.416CS..Hα-helixtrans-58.6-40.7-178.5-81.7-177.962.800112.4W598 K607 R612 N614 S615 Y619 M620 M621W598-M617 HydrophobicContact CH2-CG 4.13Å; W598-M617 HydrophobicContact CZ3-CG 3.97Å; K607-M617 HydrophobicContact CD-CE 4.21Å; K607-M617 HydrophobicContact CG-CE 3.91Å; K607-M617 HydrophobicContact CG-SD 4.42Å; R612-M617 PolarHBondContact NH2-SD 2.92Å; N614-M617 HydrophobicContact CB-SD 4.48Å; N614-M617 WeakPolarHBondContact O-CB 3.35Å; N614-M617 PolarHBondContact O-N 2.98Å; N614-M617 VanDerWaalsContact O-N 3.17Å; S615-M617 VanDerWaalsContact C-N 3.34Å; S615-M617 PolarHBondContact O-N 3.06Å; M617-Y619 PolarHBondContact O-N 2.66Å; M617-Y619 VanDerWaalsContact O-N 3.16Å; M617-M620 PolarHBondContact O-N 2.93Å; M617-M621 HydrophobicContact CB-CE 4.17Å; M617-M621 HydrophobicContact CE-CE 3.53Å; M617-M621 HydrophobicContact CE-SD 4.13Å; M617-M621 HydrophobicContact CG-CE 4.27Å; M617-M621 WeakPolarHBondContact O-CG 3.29Å; M617-M621 PolarHBondContact O-N 3.12Å
618G72.9Confident82.3Confident63 Ų6371.1 Ų71.165%0.64940%0.397SS*.Hα-helixtrans-57.6-34.4-173.400000113.7T616T616-G618 VanDerWaalsContact C-N 3.3Å; T616-G618 PolarHBondContact O-N 3.49Å
619Y71.5Confident82.7Confident220 Ų22067.2 Ų67.286%0.86336%0.364SS*.Hα-helixtrans-80-23.1178.7-61.4-78.1000113.5T616 M617T616-Y619 PolarHBondContact O-N 3.37Å; M617-Y619 PolarHBondContact O-N 2.66Å; M617-Y619 VanDerWaalsContact O-N 3.16Å
620M80.7Confident83.2Confident85 Ų8563.2 Ų63.242%0.41935%0.346SS..Hα-helixtrans-100.3-18.1-175-67.5-95.3-124.900113.2G597 W598 M617 A622G597-M620 WeakPolarHBondContact CA-O 3.17Å; W598-M620 HydrophobicContact CD2-CB 3.71Å; W598-M620 VanDerWaalsContact CE2-CB 3.41Å; W598-M620 HydrophobicContact CE3-CB 4.12Å; W598-M620 HydrophobicContact CG-CB 4.2Å; W598-M620 HydrophobicContact CH2-CB 3.91Å; W598-M620 HydrophobicContact CH2-CG 4.37Å; W598-M620 HydrophobicContact CZ2-CB 3.55Å; W598-M620 HydrophobicContact CZ2-CE 3.75Å; W598-M620 HydrophobicContact CZ2-CG 3.74Å; W598-M620 HydrophobicContact CZ2-SD 4.13Å; W598-M620 HydrophobicContact CZ3-CB 4.2Å; W598-M620 PolarHBondContact N-O 3.41Å; W598-M620 PolarHBondContact NE1-SD 3.2Å; W598-M620 VanDerWaalsContact NE1-SD 3.41Å; M617-M620 PolarHBondContact O-N 2.93Å; M620-A622 PolarHBondContact O-N 3.29Å
621M79.6Confident84Confident52 Ų5264.1 Ų64.126%0.25634%0.337SS..  trans-57.6108.1174.1-75.7-59.6104.900109.2W598 E603 M617W598-M621 HydrophobicContact CD2-CE 4.49Å; W598-M621 HydrophobicContact CE3-CE 3.28Å; W598-M621 HydrophobicContact CZ3-CE 3.3Å; E603-M621 HydrophobicContact CG-CE 3.98Å; E603-M621 HydrophobicContact CG-SD 4.19Å; M617-M621 HydrophobicContact CB-CE 4.17Å; M617-M621 HydrophobicContact CE-CE 3.53Å; M617-M621 HydrophobicContact CE-SD 4.13Å; M617-M621 HydrophobicContact CG-CE 4.27Å; M617-M621 WeakPolarHBondContact O-CG 3.29Å; M617-M621 PolarHBondContact O-N 3.12Å
622A77.9Confident84.7Confident7 Ų757.8 Ų57.86%0.05830%0.303CS..PPolyproline II helixtrans-63.3143.4173.500000109.5S594 W598 M620S594-A622 WeakPolarHBondContact OG-CB 3.34Å; W598-A622 WeakPolarHBondContact O-CB 3.39Å; M620-A622 PolarHBondContact O-N 3.29Å
623K87Confident85.8Confident121 Ų12160.3 Ų60.353%0.52632%0.324SS..PPolyproline II helixtrans-72.1145.5170.9-59.8-174.3-179.4173.50108.5E576 S594E576-K623 HydrophobicContact CB-CB 4.25Å; E576-K623 HydrophobicContact CG-CD 4.3Å; E576-K623 WeakPolarHBondContact OE1-CD 3.34Å; E576-K623 WeakPolarHBondContact OE1-CE 3.41Å; E576-K623 IonicContact OE1-NZ 3.99Å; E576-K623 PolarHBondContact OE1-NZ 2.91Å; E576-K623 WeakPolarHBondContact OE2-CB 3.47Å; E576-K623 WeakPolarHBondContact OE2-CD 3.49Å; E576-K623 IonicContact OE2-NZ 2.61Å; S594-K623 PolarHBondContact N-O 3.05Å; S594-K623 PolarHBondContact OG-N 3.4Å
624K93Very high86.7Confident45 Ų4558.6 Ų58.620%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-103.8131.8-174.5-63.9174.8175.868.70109V575 E576 I591 E603 L663 F668V575-K624 WeakPolarHBondContact CA-O 3.35Å; E576-K624 PolarHBondContact N-O 3Å; I591-K624 HydrophobicContact CG2-CB 3.88Å; I591-K624 HydrophobicContact CG2-CD 4.39Å; I591-K624 HydrophobicContact CG2-CG 4.18Å; E603-K624 IonicContact OE2-NZ 3.65Å; K624-L663 HydrophobicContact CD-CD1 3.95Å; K624-F668 HydrophobicContact CD-CD1 4.45Å; K624-F668 HydrophobicContact CD-CE1 4.25Å; K624-F668 HydrophobicContact CD-CZ 4.34Å; K624-F668 HydrophobicContact CG-CE1 4.24Å; K624-F668 HydrophobicContact CG-CZ 4.04Å
625H95.4Very high87.8Confident10 Ų1053.7 Ų53.75%0.04629%0.288CS..EExtended strand (participates in β ladder)trans-117.5141.9173.2-48.2-73.4000110.1E539 E576 K577 I591 V592E539-H625 IonicContact OE1-NE2 2.74Å; E539-H625 IonicContact OE2-CD2 3.2Å; E539-H625 PolarHBondContact OE2-CD2 3.44Å; E539-H625 IonicContact OE2-NE2 2.97Å; E539-H625 PolarHBondContact OE2-NE2 2.63Å; E576-H625 IonicContact OE2-CE1 3.89Å; E576-H625 PolarHBondContact OE2-CE1 3.13Å; E576-H625 IonicContact OE2-ND1 3.91Å; E576-H625 IonicContact OE2-NE2 2.7Å; K577-H625 HydrophobicContact CB-CB 4.3Å; K577-H625 WeakPolarHBondContact CB-ND1 3.27Å; K577-H625 PolarHBondContact N-ND1 3.31Å; K577-H625 CarbonylContact O-C 3.46Å; K577-H625 VanDerWaalsContact O-CA 3.28Å; K577-H625 WeakPolarHBondContact O-CA 3.48Å; I591-H625 CarbonylContact C-O 3.54Å; I591-H625 WeakPolarHBondContact CA-O 3.37Å; V592-H625 HydrophobicContact CG2-CB 3.74Å; V592-H625 PolarHBondContact N-O 3.42Å; V592-H625 PolarHBondContact O-N 3.1Å
626L97.3Very high88.7Confident0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-96.2116.2174.9-179.467.5000109.1M567 L571 V575 K577 V578 T579 C589 I591 I628 A662M567-L626 HydrophobicContact CE-CD2 3.52Å; L571-L626 HydrophobicContact CD1-CD2 3.81Å; V575-L626 HydrophobicContact CG1-CB 4.29Å; K577-L626 PolarHBondContact O-N 3.4Å; V578-L626 CarbonylContact C-O 3.53Å; V578-L626 WeakPolarHBondContact CA-O 3.28Å; V578-L626 HydrophobicContact CG1-CB 4.36Å; V578-L626 HydrophobicContact CG1-CD2 4.13Å; V578-L626 HydrophobicContact CG1-CG 4.41Å; V578-L626 HydrophobicContact CG2-CB 4.2Å; V578-L626 HydrophobicContact CG2-CD2 4.34Å; T579-L626 PolarHBondContact N-O 3.07Å; C589-L626 HydrophobicContact CB-CD1 3.8Å; C589-L626 HydrophobicContact CB-CG 4.48Å; I591-L626 HydrophobicContact CD1-CB 4.14Å; I591-L626 HydrophobicContact CD1-CD1 3.51Å; I591-L626 HydrophobicContact CD1-CG 4.42Å; L626-I628 HydrophobicContact CG-CG1 4.43Å; L626-A662 HydrophobicContact CD1-CB 4.36Å
627E96.9Very high89.8Confident10 Ų1052.4 Ų52.45%0.04728%0.275CS..EExtended strand (participates in β ladder)trans-96.8134.7172.4-74.1-171.4-174.700110.3T579 S581 R583 C589 C590 V592T579-E627 HydrophobicContact CG2-CG 4.03Å; T579-E627 CarbonylContact O-C 3.56Å; T579-E627 VanDerWaalsContact O-CA 3.28Å; T579-E627 WeakPolarHBondContact O-CA 3.22Å; S581-E627 VanDerWaalsContact CB-CD 3.41Å; S581-E627 WeakPolarHBondContact CB-OE2 3.36Å; S581-E627 PolarHBondContact OG-OE2 3.29Å; R583-E627 VanDerWaalsContact CD-OE2 3.28Å; R583-E627 WeakPolarHBondContact CD-OE2 3.33Å; R583-E627 IonicContact CZ-OE1 3.1Å; R583-E627 IonicContact CZ-OE2 2.84Å; R583-E627 IonicContact NE-OE1 3.25Å; R583-E627 PolarHBondContact NE-OE1 3.31Å; R583-E627 IonicContact NE-OE2 3.47Å; R583-E627 PolarHBondContact NE-OE2 3.18Å; R583-E627 IonicContact NH2-OE1 2.8Å; R583-E627 PolarHBondContact NH2-OE1 3.3Å; R583-E627 IonicContact NH2-OE2 2.82Å; C589-E627 CarbonylContact C-O 3.55Å; C589-E627 WeakPolarHBondContact CA-O 3.35Å; C589-E627 WeakPolarHBondContact CB-O 3.39Å; C590-E627 PolarHBondContact N-O 3.23Å; C590-E627 PolarHBondContact O-N 3.41Å; V592-E627 HydrophobicContact CG1-CB 4.26Å; V592-E627 VanDerWaalsContact CG1-CD 3.4Å; V592-E627 HydrophobicContact CG1-CG 3.78Å; V592-E627 HydrophobicContact CG2-CG 4.02Å
628I96.9Very high90.8Very high2 Ų251 Ų511%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-115140.9-175.2-62.2173.9000110.2M567 V578 T579 I580 S581 C589 L626 V635M567-I628 HydrophobicContact CE-CD1 3.88Å; M567-I628 HydrophobicContact CE-CG1 4.48Å; M567-I628 HydrophobicContact SD-CD1 3.37Å; M567-I628 WeakPolarHBondContact SD-CD1 3.48Å; M567-I628 HydrophobicContact SD-CG1 4.5Å; V578-I628 HydrophobicContact CG1-CD1 3.49Å; V578-I628 VanDerWaalsContact CG1-CD1 3.49Å; V578-I628 HydrophobicContact CG1-CG1 4.23Å; T579-I628 PolarHBondContact O-N 3.03Å; I580-I628 WeakPolarHBondContact CA-O 3.4Å; I580-I628 WeakPolarHBondContact CG2-O 3.45Å; S581-I628 PolarHBondContact N-O 3.11Å; C589-I628 HydrophobicContact CB-CG1 4.38Å; L626-I628 HydrophobicContact CG-CG1 4.43Å; I628-V635 HydrophobicContact CG2-CB 4.12Å; I628-V635 HydrophobicContact CG2-CG1 3.33Å; I628-V635 HydrophobicContact CG2-CG2 3.62Å
629N96.4Very high91.9Very high2 Ų249.8 Ų49.81%0.01124%0.243CC..  trans-91109.7172.9-178.6-1.4000110.6L584 V585 S587 P588 D631 H632 V635L584-N629 HydrophobicContact CB-CB 3.91Å; L584-N629 HydrophobicContact CD1-CB 4.15Å; V585-N629 PolarHBondContact O-ND2 3.29Å; S587-N629 WeakPolarHBondContact O-CB 3.46Å; S587-N629 PolarHBondContact O-ND2 2.81Å; P588-N629 PolarHBondContact O-N 3.38Å; N629-D631 PolarHBondContact O-N 2.84Å; N629-D631 PolarHBondContact OD1-N 3.43Å; N629-D631 VanDerWaalsContact OD1-N 3.15Å; N629-H632 HydrophobicContact CB-CB 4.21Å; N629-H632 PolarHBondContact O-N 3.34Å; N629-V635 WeakPolarHBondContact O-CB 3.42Å; N629-V635 WeakPolarHBondContact O-CG1 3.44Å; N629-V635 WeakPolarHBondContact O-CG2 3.49Å
630P95.4Very high93Very high11 Ų1144 Ų447%0.07122%0.224CC..THydrogen-bonded Turntrans-68.8-18.5-174.530.8-32.5000112.9F560 I580F560-P630 HydrophobicContact CD2-CB 3.94Å; F560-P630 HydrophobicContact CE2-CB 3.5Å; F560-P630 HydrophobicContact CZ-CB 4.22Å; F560-P630 WeakPolarHBondContact CZ-O 3.3Å; I580-P630 HydrophobicContact CD1-CB 4.5Å; I580-P630 HydrophobicContact CG2-CB 3.87Å; I580-P630 VanDerWaalsContact CG2-CD 3.48Å; I580-P630 HydrophobicContact CG2-CG 3.56Å
631D94.7Very high93.6Very high122 Ų12244.7 Ų44.765%0.65223%0.225SC*.THydrogen-bonded Turntrans-88.3-7.3-177.4-60.5-32.6000112.7N629N629-D631 PolarHBondContact O-N 2.84Å; N629-D631 PolarHBondContact OD1-N 3.43Å; N629-D631 VanDerWaalsContact OD1-N 3.15Å
632H97Very high94.1Very high37 Ų3743.1 Ų43.117%0.17122%0.22CC..  trans-79.2133.2-175-165.5-81.2000111.6S586 P588 N629 I634 V635 E636S586-H632 PolarHBondContact O-CD2 3.07Å; S586-H632 PolarHBondContact O-NE2 3.25Å; P588-H632 HydrophobicContact CB-CB 4.29Å; N629-H632 HydrophobicContact CB-CB 4.21Å; N629-H632 PolarHBondContact O-N 3.34Å; H632-I634 VanDerWaalsContact C-N 3.29Å; H632-I634 WeakPolarHBondContact ND1-CB 3.41Å; H632-I634 PolarHBondContact ND1-N 3.18Å; H632-I634 VanDerWaalsContact ND1-N 3.15Å; H632-I634 PolarHBondContact O-N 3.01Å; H632-V635 HydrophobicContact CB-CB 4.3Å; H632-V635 HydrophobicContact CB-CG2 4Å; H632-V635 WeakPolarHBondContact O-CB 3.37Å; H632-V635 PolarHBondContact O-N 2.69Å; H632-E636 PolarHBondContact O-N 3.48Å; H632-E636 VanDerWaalsContact O-N 3.08Å
633P96.7Very high94.8Very high92 Ų9248.9 Ų48.960%0.59725%0.246SC*.Hα-helixtrans-56-38.3-178.3-28.235000114.5V635 E636 T637P633-V635 VanDerWaalsContact C-N 3.32Å; P633-V635 PolarHBondContact O-N 3.21Å; P633-E636 PolarHBondContact O-N 2.86Å; P633-T637 WeakPolarHBondContact O-CB 3.35Å; P633-T637 PolarHBondContact O-N 3.28Å; P633-T637 PolarHBondContact O-OG1 2.95Å
634I95.7Very high95.1Very high66 Ų6647.1 Ų47.134%0.33825%0.254SS..Hα-helixtrans-60.6-41.6174.6-62.9174.7000111.1H632 T637 L638 L658H632-I634 VanDerWaalsContact C-N 3.29Å; H632-I634 WeakPolarHBondContact ND1-CB 3.41Å; H632-I634 PolarHBondContact ND1-N 3.18Å; H632-I634 VanDerWaalsContact ND1-N 3.15Å; H632-I634 PolarHBondContact O-N 3.01Å; I634-T637 PolarHBondContact O-N 3.45Å; I634-L638 HydrophobicContact CG2-CD1 4.17Å; I634-L638 HydrophobicContact CG2-CG 4.38Å; I634-L638 WeakPolarHBondContact O-CB 3.15Å; I634-L638 VanDerWaalsContact O-CG 3.3Å; I634-L638 WeakPolarHBondContact O-CG 3.35Å; I634-L638 PolarHBondContact O-N 3.26Å; I634-L658 HydrophobicContact CG2-CD1 3.87Å; I634-L658 HydrophobicContact CG2-CD2 4.32Å
635V96.5Very high95Very high5 Ų548.8 Ų48.83%0.0327%0.265CS..Hα-helixtrans-70.1-42-177.6173.30000110.8F560 L563 P588 I628 N629 H632 P633 T637 L638 R639F560-V635 HydrophobicContact CD1-CG1 4Å; F560-V635 HydrophobicContact CE1-CG1 3.71Å; F560-V635 HydrophobicContact CZ-CG1 4.29Å; L563-V635 HydrophobicContact CD2-CG1 4.2Å; P588-V635 HydrophobicContact CB-CG2 4.08Å; P588-V635 WeakPolarHBondContact O-CG2 3.32Å; I628-V635 HydrophobicContact CG2-CB 4.12Å; I628-V635 HydrophobicContact CG2-CG1 3.33Å; I628-V635 HydrophobicContact CG2-CG2 3.62Å; N629-V635 WeakPolarHBondContact O-CB 3.42Å; N629-V635 WeakPolarHBondContact O-CG1 3.44Å; N629-V635 WeakPolarHBondContact O-CG2 3.49Å; H632-V635 HydrophobicContact CB-CB 4.3Å; H632-V635 HydrophobicContact CB-CG2 4Å; H632-V635 WeakPolarHBondContact O-CB 3.37Å; H632-V635 PolarHBondContact O-N 2.69Å; P633-V635 VanDerWaalsContact C-N 3.32Å; P633-V635 PolarHBondContact O-N 3.21Å; V635-T637 VanDerWaalsContact C-N 3.32Å; V635-T637 PolarHBondContact O-N 2.94Å; V635-L638 PolarHBondContact O-N 3.46Å; V635-R639 PolarHBondContact O-N 2.82Å
636E95.6Very high94.7Very high41 Ų4154.4 Ų54.419%0.19229%0.289CS..Hα-helixtrans-62-40.8173.1178.655.3-150.300111.6K559 H632 P633 R639 Q640K559-E636 VanDerWaalsContact CE-OE2 3.25Å; K559-E636 WeakPolarHBondContact CE-OE2 3.26Å; K559-E636 IonicContact NZ-OE1 3.99Å; K559-E636 IonicContact NZ-OE2 2.65Å; K559-E636 PolarHBondContact NZ-OE2 3.06Å; H632-E636 PolarHBondContact O-N 3.48Å; H632-E636 VanDerWaalsContact O-N 3.08Å; P633-E636 PolarHBondContact O-N 2.86Å; E636-R639 WeakPolarHBondContact O-CB 3.42Å; E636-R639 PolarHBondContact O-N 3.02Å; E636-R639 IonicContact OE1-CZ 2.67Å; E636-R639 IonicContact OE1-NE 2.63Å; E636-R639 PolarHBondContact OE1-NE 2.74Å; E636-R639 IonicContact OE1-NH2 3.86Å; E636-R639 PolarHBondContact OE1-NH2 2.63Å; E636-R639 IonicContact OE2-NE 2.65Å; E636-R639 PolarHBondContact OE2-NE 2.94Å; E636-Q640 WeakPolarHBondContact O-CG 3.35Å; E636-Q640 PolarHBondContact O-N 3.44Å; E636-Q640 VanDerWaalsContact O-N 3.13Å; E636-Q640 PolarHBondContact OE1-NE2 2.98Å
637T95.5Very high94.3Very high74 Ų7459.2 Ų59.245%0.45432%0.315SS..Hα-helixtrans-64.8-42.2176-56.10000111.6P633 I634 V635 R639 Q640 K641P633-T637 WeakPolarHBondContact O-CB 3.35Å; P633-T637 PolarHBondContact O-N 3.28Å; P633-T637 PolarHBondContact O-OG1 2.95Å; I634-T637 PolarHBondContact O-N 3.45Å; V635-T637 VanDerWaalsContact C-N 3.32Å; V635-T637 PolarHBondContact O-N 2.94Å; T637-R639 VanDerWaalsContact C-N 3.3Å; T637-R639 PolarHBondContact O-N 2.82Å; T637-Q640 PolarHBondContact O-N 3.25Å; T637-K641 HydrophobicContact CG2-CG 4.34Å; T637-K641 WeakPolarHBondContact O-CB 3.47Å; T637-K641 WeakPolarHBondContact O-CG 3.37Å; T637-K641 PolarHBondContact O-N 3.34Å
638L94.9Very high93.9Very high6 Ų661 Ų613%0.03132%0.324CS..Hα-helixtrans-60.5-39.4175.5-77.8172.6000112L563 I634 V635 K641 A642 V651 L654 V655 L658L563-L638 HydrophobicContact CD1-CB 3.94Å; L563-L638 HydrophobicContact CD2-CB 4.04Å; I634-L638 HydrophobicContact CG2-CD1 4.17Å; I634-L638 HydrophobicContact CG2-CG 4.38Å; I634-L638 WeakPolarHBondContact O-CB 3.15Å; I634-L638 VanDerWaalsContact O-CG 3.3Å; I634-L638 WeakPolarHBondContact O-CG 3.35Å; I634-L638 PolarHBondContact O-N 3.26Å; V635-L638 PolarHBondContact O-N 3.46Å; L638-K641 PolarHBondContact O-N 2.71Å; L638-A642 VanDerWaalsContact O-CB 3.28Å; L638-A642 WeakPolarHBondContact O-CB 3.19Å; L638-A642 PolarHBondContact O-N 3.08Å; L638-V651 HydrophobicContact CD2-CG1 4.05Å; L638-L654 HydrophobicContact CD2-CD2 3.93Å; L638-L654 HydrophobicContact CD2-CG 4.37Å; L638-V655 HydrophobicContact CD2-CG2 4.04Å; L638-L658 HydrophobicContact CD1-CD1 3.55Å
639R95.3Very high93.3Very high37 Ų3767.8 Ų67.814%0.1435%0.354CS..Hα-helixtrans-60.8-50.8174.9-172.2-164.964.975.27.5111.3K559 F560 L563 V635 E636 T637 K641 A642 E643K559-R639 VanDerWaalsContact CE-NE 3.33Å; K559-R639 WeakPolarHBondContact O-CD 3.37Å; F560-R639 HydrophobicContact CD1-CB 3.77Å; F560-R639 HydrophobicContact CD1-CG 3.9Å; F560-R639 HydrophobicContact CE1-CB 3.71Å; F560-R639 HydrophobicContact CE1-CG 4.1Å; L563-R639 HydrophobicContact CD2-CB 4.21Å; V635-R639 PolarHBondContact O-N 2.82Å; E636-R639 WeakPolarHBondContact O-CB 3.42Å; E636-R639 PolarHBondContact O-N 3.02Å; E636-R639 IonicContact OE1-CZ 2.67Å; E636-R639 IonicContact OE1-NE 2.63Å; E636-R639 PolarHBondContact OE1-NE 2.74Å; E636-R639 IonicContact OE1-NH2 3.86Å; E636-R639 PolarHBondContact OE1-NH2 2.63Å; E636-R639 IonicContact OE2-NE 2.65Å; E636-R639 PolarHBondContact OE2-NE 2.94Å; T637-R639 VanDerWaalsContact C-N 3.3Å; T637-R639 PolarHBondContact O-N 2.82Å; R639-K641 VanDerWaalsContact C-N 3.31Å; R639-K641 PolarHBondContact O-N 3.48Å; R639-A642 PolarHBondContact O-N 2.67Å; R639-E643 IonicContact CZ-OE1 3.67Å; R639-E643 IonicContact CZ-OE2 3.41Å; R639-E643 IonicContact NH1-OE1 2.75Å; R639-E643 PolarHBondContact NH1-OE1 3.09Å; R639-E643 IonicContact NH1-OE2 3.98Å; R639-E643 PolarHBondContact NH1-OE2 2.65Å; R639-E643 IonicContact NH2-OE2 2.71Å; R639-E643 WeakPolarHBondContact O-CG 3.33Å; R639-E643 PolarHBondContact O-N 2.62Å
640Q94.8Very high92.6Very high98 Ų9870.8 Ų70.846%0.45838%0.379SS..Hα-helixtrans-62-39.6179.3-66.9173.51800111.9E636 T637 E643 A644E636-Q640 WeakPolarHBondContact O-CG 3.35Å; E636-Q640 PolarHBondContact O-N 3.44Å; E636-Q640 VanDerWaalsContact O-N 3.13Å; E636-Q640 PolarHBondContact OE1-NE2 2.98Å; T637-Q640 PolarHBondContact O-N 3.25Å; Q640-E643 PolarHBondContact O-N 3Å; Q640-A644 PolarHBondContact O-N 2.84Å
641K92.9Very high92.2Very high101 Ų10170.7 Ų70.744%0.43938%0.378SS..Hα-helixtrans-66.8-40.6175.9-77.7-71.3-172.5171.50112.6T637 L638 R639 E643 A644 D645 V651T637-K641 HydrophobicContact CG2-CG 4.34Å; T637-K641 WeakPolarHBondContact O-CB 3.47Å; T637-K641 WeakPolarHBondContact O-CG 3.37Å; T637-K641 PolarHBondContact O-N 3.34Å; L638-K641 PolarHBondContact O-N 2.71Å; R639-K641 VanDerWaalsContact C-N 3.31Å; R639-K641 PolarHBondContact O-N 3.48Å; K641-E643 VanDerWaalsContact C-N 3.3Å; K641-E643 PolarHBondContact O-N 2.86Å; K641-A644 PolarHBondContact O-N 2.82Å; K641-D645 CarbonylContact O-C 3.58Å; K641-D645 PolarHBondContact O-N 2.81Å; K641-V651 HydrophobicContact CB-CG1 4.49Å; K641-V651 HydrophobicContact CB-CG2 3.69Å; K641-V651 HydrophobicContact CD-CG2 4.24Å; K641-V651 HydrophobicContact CG-CG2 4.17Å
642A90.5Very high92Very high18 Ų1868.1 Ų68.115%0.14936%0.361CS..Hα-helixtrans-64.4-34.1174.600000112.6L563 L566 L638 R639 K646L563-A642 HydrophobicContact CD1-CB 4.22Å; L566-A642 HydrophobicContact CD2-CB 3.55Å; L638-A642 VanDerWaalsContact O-CB 3.28Å; L638-A642 WeakPolarHBondContact O-CB 3.19Å; L638-A642 PolarHBondContact O-N 3.08Å; R639-A642 PolarHBondContact O-N 2.67Å; A642-K646 PolarHBondContact O-N 3.36Å
643E92Very high91.5Very high129 Ų12969.5 Ų69.560%0.60337%0.37SS*.Hα-helixtrans-70.6-35.7173.2-73.9174.6171.900112.7R639 Q640 K641R639-E643 IonicContact CZ-OE1 3.67Å; R639-E643 IonicContact CZ-OE2 3.41Å; R639-E643 IonicContact NH1-OE1 2.75Å; R639-E643 PolarHBondContact NH1-OE1 3.09Å; R639-E643 IonicContact NH1-OE2 3.98Å; R639-E643 PolarHBondContact NH1-OE2 2.65Å; R639-E643 IonicContact NH2-OE2 2.71Å; R639-E643 WeakPolarHBondContact O-CG 3.33Å; R639-E643 PolarHBondContact O-N 2.62Å; Q640-E643 PolarHBondContact O-N 3Å; K641-E643 VanDerWaalsContact C-N 3.3Å; K641-E643 PolarHBondContact O-N 2.86Å
644A93.8Very high91.2Very high84 Ų8468.2 Ų68.269%0.69436%0.358SS*.Hα-helixtrans-71.7-5117700000112.1Q640 K641Q640-A644 PolarHBondContact O-N 2.84Å; K641-A644 PolarHBondContact O-N 2.82Å
645D91.5Very high91.1Very high79 Ų7965 Ų6542%0.42234%0.341SS..  trans-156.6105.1174.3-175.96.8000111.5K641 N647 D648K641-D645 CarbonylContact O-C 3.58Å; K641-D645 PolarHBondContact O-N 2.81Å; D645-N647 PolarHBondContact O-N 2.89Å; D645-N647 VanDerWaalsContact O-N 3.14Å; D645-N647 WeakPolarHBondContact OD1-CA 3.35Å; D645-N647 WeakPolarHBondContact OD1-CB 3.39Å; D645-N647 PolarHBondContact OD1-N 3.4Å; D645-D648 HydrophobicContact CB-CB 4.31Å; D645-D648 WeakPolarHBondContact O-CB 3.29Å; D645-D648 PolarHBondContact O-N 2.8Å
646K88.7Confident90.9Very high129 Ų12966.3 Ų66.356%0.56135%0.349SS*.THydrogen-bonded Turntrans-63-15.5174.765.8176.9-177.6174.40114.2L566 A642 K652L566-K646 HydrophobicContact CD1-CB 4.26Å; L566-K646 HydrophobicContact CD2-CB 4.23Å; A642-K646 PolarHBondContact O-N 3.36Å; K646-K652 WeakPolarHBondContact O-CE 3.37Å
647N89.2Confident90.8Very high101 Ų10165.1 Ų65.154%0.5434%0.344SS..THydrogen-bonded Turntrans-99.82-179.6-71.1-45.4000114.1D645 K649 K652D645-N647 PolarHBondContact O-N 2.89Å; D645-N647 VanDerWaalsContact O-N 3.14Å; D645-N647 WeakPolarHBondContact OD1-CA 3.35Å; D645-N647 WeakPolarHBondContact OD1-CB 3.39Å; D645-N647 PolarHBondContact OD1-N 3.4Å; N647-K649 PolarHBondContact O-N 3.43Å; N647-K649 VanDerWaalsContact O-N 3.12Å; N647-K652 PolarHBondContact OD1-NZ 2.9Å
648D88Confident90.8Very high46 Ų4662.6 Ų62.625%0.24633%0.327CS..  trans-57.9115.6177.6-176.3-19.1000110.7D645 A650 V651 K652D645-D648 HydrophobicContact CB-CB 4.31Å; D645-D648 WeakPolarHBondContact O-CB 3.29Å; D645-D648 PolarHBondContact O-N 2.8Å; D648-A650 VanDerWaalsContact C-N 3.29Å; D648-A650 PolarHBondContact O-N 2.98Å; D648-A650 WeakPolarHBondContact OD1-CB 3.46Å; D648-A650 PolarHBondContact OD1-N 2.81Å; D648-V651 HydrophobicContact CB-CB 4.06Å; D648-V651 HydrophobicContact CB-CG2 3.69Å; D648-V651 WeakPolarHBondContact O-CB 3.44Å; D648-V651 PolarHBondContact O-N 3.03Å; D648-K652 WeakPolarHBondContact O-CG 3.19Å; D648-K652 PolarHBondContact O-N 2.97Å; D648-K652 VanDerWaalsContact O-N 3.08Å
649K83.8Confident90.9Very high145 Ų14562.8 Ų62.863%0.6333%0.328SS*.Hα-helixtrans-60.9-37.6-178.7-175.9178.7177.3-66.60111.9N647 V651 K652 D653N647-K649 PolarHBondContact O-N 3.43Å; N647-K649 VanDerWaalsContact O-N 3.12Å; K649-V651 VanDerWaalsContact C-N 3.29Å; K649-V651 PolarHBondContact O-N 3.05Å; K649-K652 PolarHBondContact O-N 2.8Å; K649-D653 IonicContact NZ-OD2 3.94Å; K649-D653 PolarHBondContact NZ-OD2 3.13Å; K649-D653 WeakPolarHBondContact O-CB 3.31Å; K649-D653 PolarHBondContact O-N 3.22Å
650A82.8Confident90.9Very high65 Ų6562.2 Ų62.254%0.53733%0.327SS..Hα-helixtrans-65.7-3617900000111.3D648 L654D648-A650 VanDerWaalsContact C-N 3.29Å; D648-A650 PolarHBondContact O-N 2.98Å; D648-A650 WeakPolarHBondContact OD1-CB 3.46Å; D648-A650 PolarHBondContact OD1-N 2.81Å; A650-L654 WeakPolarHBondContact O-CB 3.5Å; A650-L654 PolarHBondContact O-N 2.79Å
651V87.2Confident90.9Very high9 Ų960.8 Ų60.86%0.05533%0.325CS..Hα-helixtrans-66.3-43.5174.5177.60000110.6L638 K641 D648 K649 L654 V655L638-V651 HydrophobicContact CD2-CG1 4.05Å; K641-V651 HydrophobicContact CB-CG1 4.49Å; K641-V651 HydrophobicContact CB-CG2 3.69Å; K641-V651 HydrophobicContact CD-CG2 4.24Å; K641-V651 HydrophobicContact CG-CG2 4.17Å; D648-V651 HydrophobicContact CB-CB 4.06Å; D648-V651 HydrophobicContact CB-CG2 3.69Å; D648-V651 WeakPolarHBondContact O-CB 3.44Å; D648-V651 PolarHBondContact O-N 3.03Å; K649-V651 VanDerWaalsContact C-N 3.29Å; K649-V651 PolarHBondContact O-N 3.05Å; V651-L654 PolarHBondContact O-N 2.75Å; V651-V655 WeakPolarHBondContact O-CG2 3.4Å; V651-V655 PolarHBondContact O-N 2.8Å
652K89.3Confident91Very high69 Ų6956.1 Ų56.130%0.331%0.306SS..Hα-helixtrans-62.3-45.6176.5-64.2-175.9179173.70111.8I570 K646 N647 D648 K649 L654 V655 V656I570-K652 HydrophobicContact CD1-CB 4.28Å; I570-K652 HydrophobicContact CD1-CG 3.81Å; I570-K652 HydrophobicContact CG1-CB 4.37Å; I570-K652 HydrophobicContact CG1-CD 4.38Å; I570-K652 HydrophobicContact CG1-CG 3.9Å; I570-K652 HydrophobicContact CG2-CB 4.48Å; K646-K652 WeakPolarHBondContact O-CE 3.37Å; N647-K652 PolarHBondContact OD1-NZ 2.9Å; D648-K652 WeakPolarHBondContact O-CG 3.19Å; D648-K652 PolarHBondContact O-N 2.97Å; D648-K652 VanDerWaalsContact O-N 3.08Å; K649-K652 PolarHBondContact O-N 2.8Å; K652-L654 VanDerWaalsContact C-N 3.32Å; K652-L654 PolarHBondContact O-N 2.88Å; K652-V655 PolarHBondContact O-N 2.97Å; K652-V656 WeakPolarHBondContact O-CG2 3.42Å; K652-V656 PolarHBondContact O-N 2.88Å; K652-V656 VanDerWaalsContact O-N 3.07Å
653D86.8Confident91.2Very high65 Ų6555.8 Ų55.835%0.34830%0.301SS..Hα-helixtrans-62.5-38.7177.6-72.6-24.6000111.5K649 V656 L657K649-D653 IonicContact NZ-OD2 3.94Å; K649-D653 PolarHBondContact NZ-OD2 3.13Å; K649-D653 WeakPolarHBondContact O-CB 3.31Å; K649-D653 PolarHBondContact O-N 3.22Å; D653-V656 PolarHBondContact O-N 2.85Å; D653-L657 PolarHBondContact O-N 3.26Å
654L90.7Very high91.2Very high65 Ų6554.4 Ų54.434%0.3430%0.297SS..Hα-helixtrans-66.5-40.7175-179.760.5000112.6L638 A650 V651 K652 V656 L657 L658L638-L654 HydrophobicContact CD2-CD2 3.93Å; L638-L654 HydrophobicContact CD2-CG 4.37Å; A650-L654 WeakPolarHBondContact O-CB 3.5Å; A650-L654 PolarHBondContact O-N 2.79Å; V651-L654 PolarHBondContact O-N 2.75Å; K652-L654 VanDerWaalsContact C-N 3.32Å; K652-L654 PolarHBondContact O-N 2.88Å; L654-V656 VanDerWaalsContact C-N 3.33Å; L654-V656 PolarHBondContact O-N 2.97Å; L654-L657 PolarHBondContact O-N 3.13Å; L654-L658 HydrophobicContact CD1-CD1 4.48Å; L654-L658 HydrophobicContact CD1-CG 4.41Å; L654-L658 HydrophobicContact CG-CD1 4.19Å; L654-L658 WeakPolarHBondContact O-CB 3.36Å; L654-L658 WeakPolarHBondContact O-CG 3.39Å; L654-L658 PolarHBondContact O-N 3.34Å
655V94Very high91.2Very high0 Ų054.1 Ų54.10%029%0.29CS..Hα-helixtrans-61.5-42.3175.4166.80000111M567 I570 L571 L638 V651 K652 L658 F659M567-V655 HydrophobicContact CB-CG1 4.2Å; M567-V655 HydrophobicContact CE-CG1 4.03Å; M567-V655 HydrophobicContact CG-CG1 3.87Å; M567-V655 HydrophobicContact CG-CG2 4.03Å; I570-V655 HydrophobicContact CB-CG1 4.17Å; I570-V655 HydrophobicContact CD1-CB 4.05Å; I570-V655 HydrophobicContact CD1-CG1 4.04Å; I570-V655 HydrophobicContact CD1-CG2 4.05Å; I570-V655 HydrophobicContact CG2-CB 4.24Å; I570-V655 HydrophobicContact CG2-CG1 3.86Å; L571-V655 HydrophobicContact CD1-CG1 4.05Å; L571-V655 HydrophobicContact CD2-CG1 4.37Å; L571-V655 HydrophobicContact CG-CG1 4.05Å; L638-V655 HydrophobicContact CD2-CG2 4.04Å; V651-V655 WeakPolarHBondContact O-CG2 3.4Å; V651-V655 PolarHBondContact O-N 2.8Å; K652-V655 PolarHBondContact O-N 2.97Å; V655-L658 PolarHBondContact O-N 3.22Å; V655-F659 WeakPolarHBondContact O-CB 3.46Å; V655-F659 PolarHBondContact O-N 2.8Å
656V92.9Very high91.3Very high31 Ų3151 Ų5119%0.18828%0.275CS..Hα-helixtrans-63.8-43.2176175.90000111.2I570 L571 K652 D653 L654 F659 E660I570-V656 HydrophobicContact CG2-CG2 3.8Å; L571-V656 HydrophobicContact CD2-CG2 4.19Å; K652-V656 WeakPolarHBondContact O-CG2 3.42Å; K652-V656 PolarHBondContact O-N 2.88Å; K652-V656 VanDerWaalsContact O-N 3.07Å; D653-V656 PolarHBondContact O-N 2.85Å; L654-V656 VanDerWaalsContact C-N 3.33Å; L654-V656 PolarHBondContact O-N 2.97Å; V656-F659 WeakPolarHBondContact O-CB 3.12Å; V656-F659 PolarHBondContact O-N 2.95Å; V656-E660 HydrophobicContact CG1-CG 4.5Å; V656-E660 WeakPolarHBondContact CG1-OE1 3.42Å; V656-E660 WeakPolarHBondContact O-CG 3.22Å; V656-E660 PolarHBondContact O-N 2.82Å
657L93.1Very high91.4Very high16 Ų1646.4 Ų46.48%0.08426%0.264CS..Hα-helixtrans-62-45.1176.5179.266.4000112.3D653 L654 F659 E660 T661 I680 M683D653-L657 PolarHBondContact O-N 3.26Å; L654-L657 PolarHBondContact O-N 3.13Å; L657-F659 VanDerWaalsContact C-N 3.29Å; L657-F659 PolarHBondContact O-N 3.11Å; L657-E660 PolarHBondContact O-N 2.92Å; L657-T661 WeakPolarHBondContact O-CB 3.48Å; L657-T661 PolarHBondContact O-N 3.12Å; L657-T661 PolarHBondContact O-OG1 2.72Å; L657-I680 HydrophobicContact CD1-CG1 4.42Å; L657-M683 HydrophobicContact CD2-CE 3.13Å; L657-M683 HydrophobicContact CD2-SD 3.59Å; L657-M683 VanDerWaalsContact CD2-SD 3.59Å
658L95.5Very high91.5Very high21 Ų2142 Ų4211%0.1124%0.24CC..Hα-helixtrans-60-42.3176.6-76.2167.8000111.2P588 I634 L638 L654 V655 A662P588-L658 HydrophobicContact CG-CD2 4.08Å; I634-L658 HydrophobicContact CG2-CD1 3.87Å; I634-L658 HydrophobicContact CG2-CD2 4.32Å; L638-L658 HydrophobicContact CD1-CD1 3.55Å; L654-L658 HydrophobicContact CD1-CD1 4.48Å; L654-L658 HydrophobicContact CD1-CG 4.41Å; L654-L658 HydrophobicContact CG-CD1 4.19Å; L654-L658 WeakPolarHBondContact O-CB 3.36Å; L654-L658 WeakPolarHBondContact O-CG 3.39Å; L654-L658 PolarHBondContact O-N 3.34Å; V655-L658 PolarHBondContact O-N 3.22Å; L658-A662 WeakPolarHBondContact O-CB 3.36Å; L658-A662 PolarHBondContact O-N 3.11Å
659F95.9Very high91.5Very high10 Ų1043.8 Ų43.84%0.04426%0.256CS..Hα-helixtrans-61.1-51.2176.1167.6-102.3000112.4L571 K574 V575 I591 V655 V656 L657 T661 A662 L663L571-F659 HydrophobicContact CD1-CB 3.7Å; L571-F659 HydrophobicContact CD1-CD2 3.94Å; L571-F659 HydrophobicContact CD1-CG 3.9Å; L571-F659 HydrophobicContact CD2-CB 3.66Å; L571-F659 HydrophobicContact CD2-CD1 3.94Å; L571-F659 HydrophobicContact CD2-CD2 4.46Å; L571-F659 HydrophobicContact CD2-CG 3.74Å; L571-F659 HydrophobicContact CG-CB 4.34Å; L571-F659 HydrophobicContact CG-CG 4.42Å; K574-F659 HydrophobicContact CB-CE1 3.89Å; K574-F659 HydrophobicContact CB-CE2 4.46Å; K574-F659 HydrophobicContact CB-CZ 3.8Å; K574-F659 HydrophobicContact CD-CE1 4.17Å; K574-F659 HydrophobicContact CG-CE1 4.28Å; V575-F659 HydrophobicContact CG1-CD2 3.78Å; V575-F659 HydrophobicContact CG1-CE2 3.26Å; V575-F659 HydrophobicContact CG1-CZ 4.13Å; I591-F659 HydrophobicContact CD1-CD2 3.65Å; I591-F659 HydrophobicContact CD1-CE2 3.58Å; I591-F659 HydrophobicContact CG1-CE2 4.39Å; V655-F659 WeakPolarHBondContact O-CB 3.46Å; V655-F659 PolarHBondContact O-N 2.8Å; V656-F659 WeakPolarHBondContact O-CB 3.12Å; V656-F659 PolarHBondContact O-N 2.95Å; L657-F659 VanDerWaalsContact C-N 3.29Å; L657-F659 PolarHBondContact O-N 3.11Å; F659-T661 VanDerWaalsContact C-N 3.31Å; F659-T661 PolarHBondContact O-N 2.89Å; F659-A662 WeakPolarHBondContact O-CB 3.16Å; F659-A662 PolarHBondContact O-N 2.76Å; F659-L663 HydrophobicContact CE1-CD2 4.44Å; F659-L663 HydrophobicContact CZ-CD1 4.26Å; F659-L663 HydrophobicContact CZ-CD2 4.34Å; F659-L663 WeakPolarHBondContact O-CB 3.38Å; F659-L663 PolarHBondContact O-N 2.96Å
660E94.8Very high91.8Very high25 Ų2538.1 Ų38.112%0.11723%0.233CC..Hα-helixtrans-64.8-36.9-178.7-69.2175.1-167.900111.9V656 L657 L663 L664 L670 H676 R679V656-E660 HydrophobicContact CG1-CG 4.5Å; V656-E660 WeakPolarHBondContact CG1-OE1 3.42Å; V656-E660 WeakPolarHBondContact O-CG 3.22Å; V656-E660 PolarHBondContact O-N 2.82Å; L657-E660 PolarHBondContact O-N 2.92Å; E660-L663 WeakPolarHBondContact O-CB 3.27Å; E660-L663 PolarHBondContact O-N 3.02Å; E660-L664 PolarHBondContact O-N 2.67Å; E660-L664 VanDerWaalsContact O-N 3.07Å; E660-L670 HydrophobicContact CB-CD2 4.12Å; E660-H676 WeakPolarHBondContact CB-ND1 3.48Å; E660-H676 WeakPolarHBondContact OE2-CA 3.4Å; E660-H676 WeakPolarHBondContact OE2-CB 3.11Å; E660-H676 IonicContact OE2-CE1 3.5Å; E660-H676 IonicContact OE2-CG 3.66Å; E660-H676 IonicContact OE2-ND1 2.67Å; E660-H676 PolarHBondContact OE2-ND1 3.11Å; E660-R679 IonicContact OE1-CZ 3.31Å; E660-R679 IonicContact OE1-NH1 2.81Å; E660-R679 PolarHBondContact OE1-NH1 2.79Å; E660-R679 IonicContact OE1-NH2 2.68Å; E660-R679 PolarHBondContact OE1-NH2 2.85Å; E660-R679 IonicContact OE2-CZ 2.78Å; E660-R679 IonicContact OE2-NH1 3.68Å; E660-R679 PolarHBondContact OE2-NH1 2.97Å; E660-R679 IonicContact OE2-NH2 2.87Å
661T95.1Very high92Very high69 Ų6942.2 Ų42.242%0.42324%0.241SC..Hα-helixtrans-66.9-40.2174.3-50.80000111.5L657 F659 L663 L664 S665L657-T661 WeakPolarHBondContact O-CB 3.48Å; L657-T661 PolarHBondContact O-N 3.12Å; L657-T661 PolarHBondContact O-OG1 2.72Å; F659-T661 VanDerWaalsContact C-N 3.31Å; F659-T661 PolarHBondContact O-N 2.89Å; T661-L663 VanDerWaalsContact C-N 3.32Å; T661-L664 PolarHBondContact O-N 2.86Å; T661-S665 WeakPolarHBondContact O-CB 3.42Å; T661-S665 PolarHBondContact O-N 3.25Å; T661-S665 PolarHBondContact O-OG 3.34Å
662A95.7Very high92.2Very high3 Ų345.4 Ų45.43%0.02526%0.257CS..Hα-helixtrans-65.3-36.4173.900000111.8I591 L626 L658 F659 S665 S666I591-A662 HydrophobicContact CD1-CB 4.34Å; I591-A662 HydrophobicContact CG1-CB 3.98Å; L626-A662 HydrophobicContact CD1-CB 4.36Å; L658-A662 WeakPolarHBondContact O-CB 3.36Å; L658-A662 PolarHBondContact O-N 3.11Å; F659-A662 WeakPolarHBondContact O-CB 3.16Å; F659-A662 PolarHBondContact O-N 2.76Å; A662-S665 WeakPolarHBondContact CA-OG 3.34Å; A662-S665 PolarHBondContact O-OG 3.04Å; A662-S666 VanDerWaalsContact O-CB 3.25Å; A662-S666 WeakPolarHBondContact O-CB 3.41Å; A662-S666 PolarHBondContact O-N 3.07Å; A662-S666 PolarHBondContact O-OG 3.25Å
663L93.8Very high92.4Very high10 Ų1046.1 Ų46.15%0.05227%0.269CS..Hα-helixtrans-61.8-50.2176.7-165.169.7000110.5I591 K624 F659 E660 T661 S666 G667 F668 L670I591-L663 HydrophobicContact CG1-CB 4.33Å; I591-L663 HydrophobicContact CG1-CD1 4.12Å; I591-L663 HydrophobicContact CG2-CD1 4.21Å; K624-L663 HydrophobicContact CD-CD1 3.95Å; F659-L663 HydrophobicContact CE1-CD2 4.44Å; F659-L663 HydrophobicContact CZ-CD1 4.26Å; F659-L663 HydrophobicContact CZ-CD2 4.34Å; F659-L663 WeakPolarHBondContact O-CB 3.38Å; F659-L663 PolarHBondContact O-N 2.96Å; E660-L663 WeakPolarHBondContact O-CB 3.27Å; E660-L663 PolarHBondContact O-N 3.02Å; T661-L663 VanDerWaalsContact C-N 3.32Å; L663-S666 PolarHBondContact O-N 2.93Å; L663-G667 PolarHBondContact O-N 2.96Å; L663-F668 HydrophobicContact CD1-CB 3.59Å; L663-F668 HydrophobicContact CD1-CD2 3.9Å; L663-F668 HydrophobicContact CD1-CG 3.86Å; L663-F668 HydrophobicContact CG-CB 3.65Å; L663-F668 HydrophobicContact CG-CG 4.44Å; L663-F668 PolarHBondContact O-N 3.36Å; L663-F668 VanDerWaalsContact O-N 3.08Å; L663-L670 HydrophobicContact CD2-CD2 4.26Å
664L92.8Very high92.7Very high101 Ų10148.3 Ų48.353%0.52928%0.277SS..Hα-helixtrans-62-50.1177.5-179.963.1000112.1E660 T661 S666 G667E660-L664 PolarHBondContact O-N 2.67Å; E660-L664 VanDerWaalsContact O-N 3.07Å; T661-L664 PolarHBondContact O-N 2.86Å; L664-S666 PolarHBondContact O-N 2.7Å; L664-G667 PolarHBondContact O-N 3.04Å
665S93.4Very high92.7Very high78 Ų7848.1 Ų48.155%0.54528%0.279SS..Hα-helixtrans-65.8-20-179.755.30000114T661 A662 G667T661-S665 WeakPolarHBondContact O-CB 3.42Å; T661-S665 PolarHBondContact O-N 3.25Å; T661-S665 PolarHBondContact O-OG 3.34Å; A662-S665 WeakPolarHBondContact CA-OG 3.34Å; A662-S665 PolarHBondContact O-OG 3.04Å; S665-G667 VanDerWaalsContact C-N 3.34Å
666S93.9Very high92.6Very high14 Ų1449 Ų4910%0.09828%0.283CS..THydrogen-bonded Turntrans-90.44173.9-49.50000113.1C590 I591 A600 A662 L663 L664C590-S666 PolarHBondContact SG-OG 3Å; I591-S666 PolarHBondContact N-OG 2.8Å; I591-S666 WeakPolarHBondContact O-CB 3.49Å; I591-S666 PolarHBondContact O-OG 2.85Å; A600-S666 WeakPolarHBondContact CB-O 2.85Å; A662-S666 VanDerWaalsContact O-CB 3.25Å; A662-S666 WeakPolarHBondContact O-CB 3.41Å; A662-S666 PolarHBondContact O-N 3.07Å; A662-S666 PolarHBondContact O-OG 3.25Å; L663-S666 PolarHBondContact O-N 2.93Å; L664-S666 PolarHBondContact O-N 2.7Å
667G91.1Very high92.6Very high32 Ų3248.7 Ų48.733%0.3328%0.282SS..THydrogen-bonded Turntrans85.712.7174.100000115.5L663 L664 S665L663-G667 PolarHBondContact O-N 2.96Å; L664-G667 PolarHBondContact O-N 3.04Å; S665-G667 VanDerWaalsContact C-N 3.34Å
668F91.8Very high92.5Very high8 Ų851 Ų514%0.03530%0.295CS..PPolyproline II helixtrans-88.1147.7176-70.8-81.3000111.6I591 T593 A600 K624 L663I591-F668 HydrophobicContact CB-CD2 4.29Å; I591-F668 HydrophobicContact CB-CE2 4.08Å; I591-F668 HydrophobicContact CG2-CD2 3.96Å; I591-F668 HydrophobicContact CG2-CE2 3.48Å; I591-F668 VanDerWaalsContact CG2-CE2 3.48Å; I591-F668 HydrophobicContact CG2-CZ 4.22Å; T593-F668 HydrophobicContact CG2-CE1 4.18Å; T593-F668 HydrophobicContact CG2-CE2 4.21Å; T593-F668 HydrophobicContact CG2-CZ 3.41Å; T593-F668 VanDerWaalsContact CG2-CZ 3.41Å; A600-F668 HydrophobicContact CB-CD1 3.73Å; A600-F668 HydrophobicContact CB-CD2 3.78Å; A600-F668 HydrophobicContact CB-CE1 3.71Å; A600-F668 HydrophobicContact CB-CE2 3.76Å; A600-F668 HydrophobicContact CB-CG 3.8Å; A600-F668 HydrophobicContact CB-CZ 3.77Å; K624-F668 HydrophobicContact CD-CD1 4.45Å; K624-F668 HydrophobicContact CD-CE1 4.25Å; K624-F668 HydrophobicContact CD-CZ 4.34Å; K624-F668 HydrophobicContact CG-CE1 4.24Å; K624-F668 HydrophobicContact CG-CZ 4.04Å; L663-F668 HydrophobicContact CD1-CB 3.59Å; L663-F668 HydrophobicContact CD1-CD2 3.9Å; L663-F668 HydrophobicContact CD1-CG 3.86Å; L663-F668 HydrophobicContact CG-CB 3.65Å; L663-F668 HydrophobicContact CG-CG 4.44Å; L663-F668 PolarHBondContact O-N 3.36Å; L663-F668 VanDerWaalsContact O-N 3.08Å
669S87.9Confident92.1Very high84 Ų8452 Ų5259%0.58730%0.297SS*.PPolyproline II helixtrans-67.7135.6170.4-1710000110.6
670L89Confident91.8Very high26 Ų2654.5 Ų54.514%0.13631%0.31CS..PPolyproline II helixtrans-67140.9165.5-65.8170000109.1E660 L663 P673 H676E660-L670 HydrophobicContact CB-CD2 4.12Å; L663-L670 HydrophobicContact CD2-CD2 4.26Å; L670-P673 HydrophobicContact CB-CG 4.24Å; L670-H676 HydrophobicContact CD1-CB 4.04Å
671E86.9Confident91.6Very high151 Ų15159.5 Ų59.571%0.70633%0.329SS*.SBendtrans-68.4-39.1174.3-70173.6-165.900111.3K574K574-E671 IonicContact NZ-OE1 2.8Å; K574-E671 IonicContact NZ-OE2 2.66Å; K574-E671 PolarHBondContact NZ-OE2 2.95Å
672D91.3Very high91Very high76 Ų7662.8 Ų62.841%0.40633%0.333SS..  trans-141.195.4177-179.5-1.4000110Q674 T675 H676D672-Q674 PolarHBondContact O-N 2.93Å; D672-Q674 WeakPolarHBondContact OD1-CA 3.29Å; D672-Q674 VanDerWaalsContact OD1-CB 3.27Å; D672-Q674 WeakPolarHBondContact OD1-CB 3.4Å; D672-Q674 PolarHBondContact OD1-N 2.86Å; D672-T675 PolarHBondContact O-N 2.72Å; D672-T675 PolarHBondContact OD1-N 3.02Å; D672-T675 VanDerWaalsContact OD1-N 3.1Å; D672-T675 WeakPolarHBondContact OD2-CB 3.46Å; D672-T675 PolarHBondContact OD2-OG1 2.62Å; D672-H676 PolarHBondContact O-N 3.17Å
673P93.2Very high90.4Very high84 Ų8467.1 Ų67.155%0.54535%0.354SS..Hα-helixtrans-59-28.2174.7-24.234.1000114L670 S677L670-P673 HydrophobicContact CB-CG 4.24Å; P673-S677 PolarHBondContact O-N 3.33Å; P673-S677 PolarHBondContact O-OG 3.46Å
674Q93.8Very high90.1Very high110 Ų11070.7 Ų70.751%0.51437%0.372SS..Hα-helixtrans-73.3-41.8-179-172.663.454.100111.2D672 H676 S677 N678D672-Q674 PolarHBondContact O-N 2.93Å; D672-Q674 WeakPolarHBondContact OD1-CA 3.29Å; D672-Q674 VanDerWaalsContact OD1-CB 3.27Å; D672-Q674 WeakPolarHBondContact OD1-CB 3.4Å; D672-Q674 PolarHBondContact OD1-N 2.86Å; Q674-H676 VanDerWaalsContact C-N 3.3Å; Q674-H676 PolarHBondContact O-N 3.06Å; Q674-S677 PolarHBondContact NE2-OG 2.88Å; Q674-S677 PolarHBondContact O-N 3.38Å; Q674-S677 PolarHBondContact O-OG 3.24Å; Q674-N678 PolarHBondContact NE2-OD1 2.78Å; Q674-N678 VanDerWaalsContact O-CB 3.31Å; Q674-N678 WeakPolarHBondContact O-CB 3.47Å; Q674-N678 PolarHBondContact O-N 2.95Å; Q674-N678 PolarHBondContact O-ND2 2.86Å; Q674-N678 PolarHBondContact O-OD1 3.07Å
675T91.6Very high89.8Confident61 Ų6169 Ų6937%0.37436%0.361SS..Hα-helixtrans-64.1-37.5174.5-71.10000111.7D672 R679D672-T675 PolarHBondContact O-N 2.72Å; D672-T675 PolarHBondContact OD1-N 3.02Å; D672-T675 VanDerWaalsContact OD1-N 3.1Å; D672-T675 WeakPolarHBondContact OD2-CB 3.46Å; D672-T675 PolarHBondContact OD2-OG1 2.62Å; T675-R679 PolarHBondContact O-N 2.91Å
676H92.1Very high89.2Confident20 Ų2072 Ų729%0.09337%0.37CS..Hα-helixtrans-60.8-50.8174.3-176.966.5000111.8E660 L670 D672 Q674 N678 R679 I680E660-H676 WeakPolarHBondContact CB-ND1 3.48Å; E660-H676 WeakPolarHBondContact OE2-CA 3.4Å; E660-H676 WeakPolarHBondContact OE2-CB 3.11Å; E660-H676 IonicContact OE2-CE1 3.5Å; E660-H676 IonicContact OE2-CG 3.66Å; E660-H676 IonicContact OE2-ND1 2.67Å; E660-H676 PolarHBondContact OE2-ND1 3.11Å; L670-H676 HydrophobicContact CD1-CB 4.04Å; D672-H676 PolarHBondContact O-N 3.17Å; Q674-H676 VanDerWaalsContact C-N 3.3Å; Q674-H676 PolarHBondContact O-N 3.06Å; H676-N678 PolarHBondContact O-N 2.77Å; H676-R679 PolarHBondContact O-N 3.2Å; H676-I680 PolarHBondContact O-N 3.38Å
677S92.2Very high88.8Confident24 Ų2474.7 Ų74.717%0.16840%0.4CS..Hα-helixtrans-64.9-39.3179.667.90000112.2P673 Q674 R679 I680 Y681P673-S677 PolarHBondContact O-N 3.33Å; P673-S677 PolarHBondContact O-OG 3.46Å; Q674-S677 PolarHBondContact NE2-OG 2.88Å; Q674-S677 PolarHBondContact O-N 3.38Å; Q674-S677 PolarHBondContact O-OG 3.24Å; S677-R679 VanDerWaalsContact C-N 3.26Å; S677-R679 PolarHBondContact O-N 3.45Å; S677-I680 CarbonylContact O-C 3.54Å; S677-I680 WeakPolarHBondContact O-CA 3.49Å; S677-I680 WeakPolarHBondContact O-CB 3.37Å; S677-I680 PolarHBondContact O-N 2.7Å; S677-Y681 VanDerWaalsContact O-CD2 3.27Å; S677-Y681 WeakPolarHBondContact O-CD2 3.46Å; S677-Y681 VanDerWaalsContact O-CG 3.26Å; S677-Y681 PolarHBondContact O-N 3.34Å
678N90.4Very high88.8Confident65 Ų6579 Ų7935%0.34842%0.415SS..Hα-helixtrans-57.2-38.8174.5-72.4-13.3000112.2Q674 H676 Y681 R682Q674-N678 PolarHBondContact NE2-OD1 2.78Å; Q674-N678 VanDerWaalsContact O-CB 3.31Å; Q674-N678 WeakPolarHBondContact O-CB 3.47Å; Q674-N678 PolarHBondContact O-N 2.95Å; Q674-N678 PolarHBondContact O-ND2 2.86Å; Q674-N678 PolarHBondContact O-OD1 3.07Å; H676-N678 PolarHBondContact O-N 2.77Å; N678-Y681 PolarHBondContact O-N 3.45Å; N678-R682 WeakPolarHBondContact O-CG 3.5Å; N678-R682 PolarHBondContact O-N 3.18Å
679R87.8Confident88.6Confident40 Ų4081.7 Ų81.715%0.15144%0.444CS..Hα-helixtrans-68.6-38.2176-163.8176.6-57.397.3-12.4112.1E660 T675 H676 S677 R682 M683E660-R679 IonicContact OE1-CZ 3.31Å; E660-R679 IonicContact OE1-NH1 2.81Å; E660-R679 PolarHBondContact OE1-NH1 2.79Å; E660-R679 IonicContact OE1-NH2 2.68Å; E660-R679 PolarHBondContact OE1-NH2 2.85Å; E660-R679 IonicContact OE2-CZ 2.78Å; E660-R679 IonicContact OE2-NH1 3.68Å; E660-R679 PolarHBondContact OE2-NH1 2.97Å; E660-R679 IonicContact OE2-NH2 2.87Å; T675-R679 PolarHBondContact O-N 2.91Å; H676-R679 PolarHBondContact O-N 3.2Å; S677-R679 VanDerWaalsContact C-N 3.26Å; S677-R679 PolarHBondContact O-N 3.45Å; R679-R682 PolarHBondContact O-N 2.86Å; R679-M683 WeakPolarHBondContact O-CG 3.21Å; R679-M683 PolarHBondContact O-N 3.33Å
680I89.5Confident88.3Confident64 Ų6480.7 Ų80.733%0.32843%0.432SS..Hα-helixtrans-62.3-47.1172.1-65.5170.2000110L657 H676 S677 R682 M683 I684L657-I680 HydrophobicContact CD1-CG1 4.42Å; H676-I680 PolarHBondContact O-N 3.38Å; S677-I680 CarbonylContact O-C 3.54Å; S677-I680 WeakPolarHBondContact O-CA 3.49Å; S677-I680 WeakPolarHBondContact O-CB 3.37Å; S677-I680 PolarHBondContact O-N 2.7Å; I680-R682 VanDerWaalsContact C-N 3.29Å; I680-R682 PolarHBondContact O-N 3.46Å; I680-M683 PolarHBondContact O-N 2.91Å; I680-I684 HydrophobicContact CG2-CD1 3.69Å; I680-I684 HydrophobicContact CG2-CG1 4.22Å; I680-I684 WeakPolarHBondContact O-CG1 3.13Å; I680-I684 PolarHBondContact O-N 2.92Å
681Y89.5Confident87.2Confident130 Ų13084.2 Ų84.251%0.5145%0.451SS..Hα-helixtrans-58.7-40.4177.2-60.2-35.8000112S677 N678 I684 K685S677-Y681 VanDerWaalsContact O-CD2 3.27Å; S677-Y681 WeakPolarHBondContact O-CD2 3.46Å; S677-Y681 VanDerWaalsContact O-CG 3.26Å; S677-Y681 PolarHBondContact O-N 3.34Å; N678-Y681 PolarHBondContact O-N 3.45Å; Y681-I684 PolarHBondContact O-N 3.21Å; Y681-K685 WeakPolarHBondContact O-CB 3.44Å; Y681-K685 VanDerWaalsContact O-CG 3.27Å; Y681-K685 WeakPolarHBondContact O-CG 3.48Å; Y681-K685 PolarHBondContact O-N 3.42Å
682R83.1Confident85.9Confident137 Ų13782.2 Ų82.252%0.51744%0.442SS..Hα-helixtrans-61.6-43.2172.6-74.1-178.4177.8144.36.3112.9N678 R679 I680 K685 L686 E692N678-R682 WeakPolarHBondContact O-CG 3.5Å; N678-R682 PolarHBondContact O-N 3.18Å; R679-R682 PolarHBondContact O-N 2.86Å; I680-R682 VanDerWaalsContact C-N 3.29Å; I680-R682 PolarHBondContact O-N 3.46Å; R682-K685 PolarHBondContact O-N 3.09Å; R682-L686 WeakPolarHBondContact O-CG 2.88Å; R682-L686 PolarHBondContact O-N 3.12Å; R682-E692 WeakPolarHBondContact CD-OE1 3.43Å; R682-E692 WeakPolarHBondContact CG-OE1 3.41Å; R682-E692 IonicContact NE-OE1 3.23Å; R682-E692 PolarHBondContact NE-OE1 3.46Å
683M82.6Confident84.1Confident94 Ų9485 Ų8546%0.46346%0.457SS..Hα-helixtrans-67.6-36.7176.6-65.4-141.8-48.800112.8L657 R679 I680 L686 G687L657-M683 HydrophobicContact CD2-CE 3.13Å; L657-M683 HydrophobicContact CD2-SD 3.59Å; L657-M683 VanDerWaalsContact CD2-SD 3.59Å; R679-M683 WeakPolarHBondContact O-CG 3.21Å; R679-M683 PolarHBondContact O-N 3.33Å; I680-M683 PolarHBondContact O-N 2.91Å; M683-L686 PolarHBondContact O-N 3.06Å; M683-G687 PolarHBondContact O-N 3.41Å
684I87.5Confident82Confident85 Ų8588 Ų8844%0.43646%0.464SS..Hα-helixtrans-64.1-46.4173.9-69.2170.8000109.7I680 Y681 L686 G687 L688I680-I684 HydrophobicContact CG2-CD1 3.69Å; I680-I684 HydrophobicContact CG2-CG1 4.22Å; I680-I684 WeakPolarHBondContact O-CG1 3.13Å; I680-I684 PolarHBondContact O-N 2.92Å; Y681-I684 PolarHBondContact O-N 3.21Å; I684-L686 VanDerWaalsContact C-N 3.35Å; I684-L686 PolarHBondContact O-N 2.99Å; I684-G687 PolarHBondContact O-N 2.74Å; I684-G687 VanDerWaalsContact O-N 3.15Å; I684-L688 HydrophobicContact CG2-CD1 3.57Å; I684-L688 HydrophobicContact CG2-CG 4.13Å; I684-L688 WeakPolarHBondContact O-CB 3.2Å; I684-L688 VanDerWaalsContact O-CG 3.28Å; I684-L688 WeakPolarHBondContact O-CG 3.47Å; I684-L688 PolarHBondContact O-N 3.03Å
685K86.3Confident79.6Confident65 Ų6587.8 Ų87.828%0.28347%0.469SS..Hα-helixtrans-54.6-50174.6-77.3179.7180-169.70111.3Y681 R682 G687 L688 G689 I690Y681-K685 WeakPolarHBondContact O-CB 3.44Å; Y681-K685 VanDerWaalsContact O-CG 3.27Å; Y681-K685 WeakPolarHBondContact O-CG 3.48Å; Y681-K685 PolarHBondContact O-N 3.42Å; R682-K685 PolarHBondContact O-N 3.09Å; K685-G687 PolarHBondContact O-N 3.13Å; K685-L688 CarbonylContact O-C 3.58Å; K685-L688 PolarHBondContact O-N 3.3Å; K685-G689 PolarHBondContact O-N 3.13Å; K685-I690 HydrophobicContact CB-CB 4.02Å; K685-I690 HydrophobicContact CB-CG2 4.47Å; K685-I690 HydrophobicContact CD-CG2 4.45Å; K685-I690 HydrophobicContact CG-CB 4.07Å; K685-I690 HydrophobicContact CG-CD1 4.49Å; K685-I690 HydrophobicContact CG-CG2 4.08Å; K685-I690 PolarHBondContact O-N 3.39Å
686L80.6Confident77.1Confident142 Ų14289.4 Ų89.474%0.74349%0.489SS*.Hα-helixtrans-59.3-42.9175.4-71.9169.9000112.8R682 M683 I684 L688 G689R682-L686 WeakPolarHBondContact O-CG 2.88Å; R682-L686 PolarHBondContact O-N 3.12Å; M683-L686 PolarHBondContact O-N 3.06Å; I684-L686 VanDerWaalsContact C-N 3.35Å; I684-L686 PolarHBondContact O-N 2.99Å; L686-L688 VanDerWaalsContact C-N 3.31Å; L686-L688 PolarHBondContact O-N 3.41Å; L686-G689 PolarHBondContact O-N 3.42Å
687G86.2Confident74.4Confident70 Ų7092.3 Ų92.372%0.72252%0.516SS*.Hα-helixtrans-69.8-26.3178.600000114.2M683 I684 K685M683-G687 PolarHBondContact O-N 3.41Å; I684-G687 PolarHBondContact O-N 2.74Å; I684-G687 VanDerWaalsContact O-N 3.15Å; K685-G687 PolarHBondContact O-N 3.13Å
688L91.3Very high71.6Confident123 Ų123100.2 Ų100.264%0.64455%0.55SS**Hα-helixtrans-94.2-3.3176.4-64.9179.1000113.1I684 K685 L686 I690I684-L688 HydrophobicContact CG2-CD1 3.57Å; I684-L688 HydrophobicContact CG2-CG 4.13Å; I684-L688 WeakPolarHBondContact O-CB 3.2Å; I684-L688 VanDerWaalsContact O-CG 3.28Å; I684-L688 WeakPolarHBondContact O-CG 3.47Å; I684-L688 PolarHBondContact O-N 3.03Å; K685-L688 CarbonylContact O-C 3.58Å; K685-L688 PolarHBondContact O-N 3.3Å; L686-L688 VanDerWaalsContact C-N 3.31Å; L686-L688 PolarHBondContact O-N 3.41Å; L688-I690 VanDerWaalsContact C-N 3.31Å; L688-I690 HydrophobicContact CB-CD1 3.96Å; L688-I690 HydrophobicContact CB-CG1 3.99Å; L688-I690 HydrophobicContact CD1-CD1 4.05Å
689G86.9Confident68.9Low64 Ų64106.1 Ų106.166%0.6658%0.576SS**THydrogen-bonded Turntrans70.622.9-176.600000114.4K685 L686 D691K685-G689 PolarHBondContact O-N 3.13Å; L686-G689 PolarHBondContact O-N 3.42Å; G689-D691 PolarHBondContact O-N 3.04Å
690I82.6Confident66.5Low64 Ų64110 Ų11033%0.32861%0.607SS.*  trans-84.1109.5175.3-56.8169.7000107.4K685 L688 V695K685-I690 HydrophobicContact CB-CB 4.02Å; K685-I690 HydrophobicContact CB-CG2 4.47Å; K685-I690 HydrophobicContact CD-CG2 4.45Å; K685-I690 HydrophobicContact CG-CB 4.07Å; K685-I690 HydrophobicContact CG-CD1 4.49Å; K685-I690 HydrophobicContact CG-CG2 4.08Å; K685-I690 PolarHBondContact O-N 3.39Å; L688-I690 VanDerWaalsContact C-N 3.31Å; L688-I690 HydrophobicContact CB-CD1 3.96Å; L688-I690 HydrophobicContact CB-CG1 3.99Å; L688-I690 HydrophobicContact CD1-CD1 4.05Å; I690-V695 HydrophobicContact CG2-CG2 4.27Å
691D66.5Low63.8Low100 Ų100112.7 Ų112.754%0.53563%0.631SS.*  trans-72.2143.4175.6-147-21.6000110.1G689 D693 E694G689-D691 PolarHBondContact O-N 3.04Å; D691-D693 PolarHBondContact O-N 3.46Å; D691-E694 PolarHBondContact O-N 3.36Å; D691-E694 VanDerWaalsContact O-N 3.17Å
692E57.9Low61.3Low109 Ų109110.8 Ų110.851%0.50964%0.642SS.*THydrogen-bonded Turntrans-61.6-18.4178.5-80.3-168.7150.200111.7R682R682-E692 WeakPolarHBondContact CD-OE1 3.43Å; R682-E692 WeakPolarHBondContact CG-OE1 3.41Å; R682-E692 IonicContact NE-OE1 3.23Å; R682-E692 PolarHBondContact NE-OE1 3.46Å
693D53.6Low59.1Low135 Ų135108.6 Ų108.672%0.72265%0.653SS**THydrogen-bonded Turntrans-84-15.5179.8-66.6-28.3000114.7D691D691-D693 PolarHBondContact O-N 3.46Å
694E49.2Very low56.9Low147 Ų147110.4 Ų110.469%0.68767%0.669SS**THydrogen-bonded Turntrans-83.3-12-176.2-84.9-169.7155.500114.6D691D691-E694 PolarHBondContact O-N 3.36Å; D691-E694 VanDerWaalsContact O-N 3.17Å
695V44.4Very low54.7Low105 Ų105111.9 Ų111.964%0.63669%0.685SS**THydrogen-bonded Turntrans-103.713-177.2-160.10000112.7I690 A697I690-V695 HydrophobicContact CG2-CG2 4.27Å; V695-A697 VanDerWaalsContact C-N 3.35Å
696A39Very low52.4Low94 Ų94116 Ų11678%0.77771%0.71SS**  trans-93.917.617200000113.7
697A34.4Very low50.4Low82 Ų82118.1 Ų118.168%0.67872%0.716SS**  trans-100.7120.7175.100000110.7V695V695-A697 VanDerWaalsContact C-N 3.35Å
698E33.6Very low48.4Very low189 Ų189122.5 Ų122.588%0.88372%0.721SS**  trans86.964.5170.3-52.7-173.2173.600118
699E34.1Very low46Very low190 Ų190121.7 Ų121.789%0.88872%0.723SS**  trans-109.6119.6133.4-79.6-161168.600108.8S701E699-S701 PolarHBondContact O-N 3.42Å
700P37.5Very low43.7Very low122 Ų122124.9 Ų124.979%0.79273%0.732SS**  trans-68.9117.5174.527.5-29000108A702P700-A702 VanDerWaalsContact C-N 3.33Å; P700-A702 PolarHBondContact O-N 3.33Å
701S33.3Very low41.8Very low119 Ų119129.9 Ų129.983%0.83276%0.759SS**  trans-57.395.5170.663.60000109.4E699 A703E699-S701 PolarHBondContact O-N 3.42Å; S701-A703 PolarHBondContact O-N 3.43Å; S701-A703 VanDerWaalsContact O-N 3.14Å
702A37.7Very low40.3Very low91 Ų91134 Ų13475%0.75278%0.775SS**  trans-69.3108.1165.800000106.9P700 V704P700-A702 VanDerWaalsContact C-N 3.33Å; P700-A702 PolarHBondContact O-N 3.33Å; A702-V704 PolarHBondContact O-N 3.2Å
703A36.2Very low39.2Very low91 Ų91132 Ų13275%0.75278%0.783SS**PPolyproline II helixtrans-52124.2176.100000110.7S701 P705S701-A703 PolarHBondContact O-N 3.43Å; S701-A703 VanDerWaalsContact O-N 3.14Å; A703-P705 WeakPolarHBondContact O-CD 3.48Å
704V36.8Very low38.3Very low132 Ų132133.7 Ų133.780%0.879%0.792SS**PPolyproline II helixtrans-77.8121.6164.5-178.60000107.3A702A702-V704 PolarHBondContact O-N 3.2Å
705P41.8Very low37.7Very low116 Ų116135.3 Ų135.375%0.75380%0.8SS**PPolyproline II helixtrans-87.9138160.92.218.3000109.7A703A703-P705 WeakPolarHBondContact O-CD 3.48Å
706D37.7Very low37.2Very low151 Ų151138 Ų13881%0.80781%0.811SS**PPolyproline II helixtrans-54.1159.9177.4-69.8-60.3000115.1
707E37.2Very low37.1Very low186 Ų186138.2 Ų138.287%0.86981%0.812SS**  trans75.5102.1159.2-68.3-177.7164.200119.6
708I44.8Very low37.4Very low163 Ų163139.9 Ų139.984%0.83682%0.819SS**  trans-138.2131.6135.4-54.1-178.9000109
709P41Very low37.6Very low106 Ų106142.6 Ų142.669%0.68882%0.821SS**  trans-80.3170.8-169.2-4.624.6000113.6
710P38.9Very low37.9Very low130 Ų130141.8 Ų141.884%0.84482%0.819SS**  trans-74.3131.4-171.131.3-32000111
711L42Very low38.2Very low170 Ų170143.6 Ų143.689%0.8982%0.817SS**  trans-115.5110.8171.3-103.9149.5000109.5
712E36.1Very low38.2Very low186 Ų186147.5 Ų147.587%0.86982%0.822SS**  trans-61.7147159.7-64.717814800110.3
713G33.4Very low38.7Very low67 Ų67148.7 Ų148.769%0.69182%0.82SS**  trans89.8102.1160.300000115.4
714D36.3Very low38.8Very low170 Ų170155.7 Ų155.791%0.90985%0.845SS**  -163.8124.4101.8-102.5-19.9000110.5
715E35.7Very low38.8Very low182 Ų182156.9 Ų156.985%0.8585%0.847SS**  trans-63123.1160.3-62.5174.5143.200107.9
716D34.3Very low38.7Very low162 Ų162159.1 Ų159.187%0.86685%0.852SS**  trans158.3147.1132.8-92.5-33.4000112.9
717A36.2Very low38.7Very low97 Ų97159.5 Ų159.580%0.80285%0.854SS**  trans75122.9170.300000116.2
718S40.9Very low38.8Very low117 Ų117157.9 Ų157.982%0.81885%0.854SS**  cis-157.91232644.50000110
719R37.5Very low38.5Very low247 Ų247157.6 Ų157.693%0.93286%0.855SS**  trans-115.3101171-164.2-178.9-175.7177.40.5104.7
720M40.7Very low38.3Very low173 Ų173161.1 Ų161.185%0.85287%0.866SS**  trans-160.8122.2177.2-90.3-169.5-159.500104.7
721E42.9Very low38.3Very low160 Ų160163.3 Ų163.375%0.74887%0.867SS**  cis-153.9113.517-90.1164.7165.400107V723E721-V723 HydrophobicContact CB-CG2 4.12Å; E721-V723 HydrophobicContact CG-CG2 4.17Å
722E35.1Very low38Very low201 Ų201162.8 Ų162.894%0.93987%0.866SS**  trans-90116.1143.7-79.3177.9157.400104.4
723V47.3Very low38.1Very low115 Ų115160.8 Ų160.870%0.69787%0.865SS**  trans-125.6110.9167.9-174.80000106.8E721E721-V723 HydrophobicContact CB-CG2 4.12Å; E721-V723 HydrophobicContact CG-CG2 4.17Å
724D37.4Very low38.6Very low239 Ų239169.4 Ų169.4100%1.27888%0.881SS**  trans9.90164.3-65.4-37000120.9

Retrieved 724 of 724 residues in 256.4 ms (Link to these results)

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