A0A077Z0P0_TRITR Loading...

tRNA (guanine-N(7)-)-methyltransferase

Catalyzes the formation of N(7)-methylguanine at position 46 (m7G46) in tRNA.

AlphaFold DB , UniProt , Accession A0A077Z0P0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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
1M38.5Very low73.7Confident244 Ų244111.4 Ų111.4100%1.20258%0.584SS**  094.80-83.8-176.3-88.600107.2S3M1-S3 PolarHBondContact O-N 2.91Å; M1-S3 VanDerWaalsContact O-N 3.1Å
2E49.4Very low74.5Confident194 Ų194112.4 Ų112.491%0.90758%0.583SS**  trans-64.1112168.2-80.3178155.800107.2S4E2-S4 VanDerWaalsContact C-N 3.3Å; E2-S4 PolarHBondContact O-N 3.04Å
3S53.7Low75.4Confident108 Ų108108.1 Ų108.176%0.75556%0.555SS**  trans-61.398.6169.658.90000107M1 V5M1-S3 PolarHBondContact O-N 2.91Å; M1-S3 VanDerWaalsContact O-N 3.1Å; S3-V5 PolarHBondContact O-N 2.9Å
4S71.8Confident75.5Confident87 Ų87114.1 Ų114.161%0.60857%0.567SS**  trans-59.8113.817564.30000107.3E2 L6E2-S4 VanDerWaalsContact C-N 3.3Å; E2-S4 PolarHBondContact O-N 3.04Å; S4-L6 PolarHBondContact O-N 3.25Å
5V80.5Confident75.9Confident83 Ų83111.9 Ų111.950%0.50356%0.555SS.*PPolyproline II helixtrans-59.3118.1-178.2-175.80000107.3S3 V99 R103S3-V5 PolarHBondContact O-N 2.9Å; V5-V99 HydrophobicContact CG1-CG1 4.47Å; V5-V99 HydrophobicContact CG1-CG2 3.7Å; V5-V99 VanDerWaalsContact O-CG1 3.29Å; V5-V99 WeakPolarHBondContact O-CG1 3.34Å; V5-R103 PolarHBondContact O-NH2 3.08Å
6L86.3Confident76Confident129 Ų129118.7 Ų118.768%0.67557%0.572SS**PPolyproline II helixtrans-73.3145-175.5-66.2177.3000110.3S4S4-L6 PolarHBondContact O-N 3.25Å
7L88Confident76Confident67 Ų67114.8 Ų114.835%0.35156%0.564SS.*PPolyproline II helixtrans-61.9144.1171.1-76170000109.7R96 V99 L100L7-R96 HydrophobicContact CD2-CG 4.23Å; L7-V99 HydrophobicContact CD2-CB 4.04Å; L7-V99 HydrophobicContact CD2-CG1 3.76Å; L7-V99 HydrophobicContact CG-CG1 4.2Å; L7-L100 HydrophobicContact CD2-CD2 4.31Å; L7-L100 HydrophobicContact CD2-CG 4.24Å
8P88.1Confident76Confident13 Ų13114.8 Ų114.88%0.08456%0.562CS.*PPolyproline II helixtrans-58.7142.7172.925.1-33.9000110.9Y13 Y92 Q95 R96P8-Y13 HydrophobicContact CB-CE2 3.9Å; P8-Y92 HydrophobicContact CB-CD2 3.83Å; P8-Y92 HydrophobicContact CB-CE2 3.82Å; P8-Y92 HydrophobicContact CG-CD2 3.92Å; P8-Y92 HydrophobicContact CG-CE2 3.72Å; P8-Y92 VanDerWaalsContact O-CE2 3.29Å; P8-Y92 WeakPolarHBondContact O-CE2 3.43Å; P8-Q95 HydrophobicContact CB-CB 4.39Å; P8-Q95 HydrophobicContact CB-CG 4.18Å; P8-Q95 HydrophobicContact CG-CB 4.1Å; P8-Q95 HydrophobicContact CG-CG 4.09Å; P8-R96 HydrophobicContact CG-CB 3.93Å
9Q86.4Confident76.1Confident101 Ų101110.5 Ų110.547%0.47255%0.545SS..PPolyproline II helixtrans-95120.7176.3-59.3-177.7-10.500110K11 H12Q9-K11 HydrophobicContact CB-CG 4.23Å; Q9-K11 PolarHBondContact O-N 3.11Å; Q9-H12 PolarHBondContact O-N 3.31Å; Q9-H12 VanDerWaalsContact O-N 3.08Å
10K83.5Confident76.5Confident64 Ų64107.8 Ų107.828%0.27853%0.533SS..G310 helixtrans-52.8-31.3-176.6-66.4173.6-179.2160.40114H12 Y13 R14 Y64 Y92 E215K10-H12 PolarHBondContact O-N 3.27Å; K10-H12 VanDerWaalsContact O-N 3.14Å; K10-Y13 CarbonylContact O-C 3.49Å; K10-Y13 PolarHBondContact O-N 2.95Å; K10-R14 PolarHBondContact O-N 3.03Å; K10-Y64 HydrophobicContact CB-CD1 4.48Å; K10-Y64 HydrophobicContact CB-CE1 4.26Å; K10-Y64 HydrophobicContact CD-CD1 4.23Å; K10-Y64 HydrophobicContact CD-CG 4.37Å; K10-Y64 HydrophobicContact CG-CD1 3.91Å; K10-Y64 HydrophobicContact CG-CE1 4.19Å; K10-Y92 HydrophobicContact CB-CE2 4.22Å; K10-Y92 WeakPolarHBondContact CE-OH 3.4Å; K10-Y92 HydrophobicContact CG-CD2 4.24Å; K10-Y92 HydrophobicContact CG-CE1 4.11Å; K10-Y92 HydrophobicContact CG-CE2 3.46Å; K10-Y92 VanDerWaalsContact CG-CE2 3.46Å; K10-Y92 WeakPolarHBondContact CG-OH 3.16Å; K10-E215 IonicContact NZ-OE1 3.8Å; K10-E215 PolarHBondContact NZ-OE1 3.19Å; K10-E215 IonicContact NZ-OE2 3.42Å; K10-E215 PolarHBondContact NZ-OE2 2.94Å
11K84.3Confident76.9Confident135 Ų135103.2 Ų103.259%0.58751%0.511SS*.G310 helixtrans-56.3-30.2179.965.3174.3174.3179.50113.2Q9 Y13Q9-K11 HydrophobicContact CB-CG 4.23Å; Q9-K11 PolarHBondContact O-N 3.11Å; K11-Y13 VanDerWaalsContact C-N 3.34Å
12H83.6Confident79.2Confident124 Ų12496 Ų9657%0.57448%0.476SS*.G310 helixtrans-81.9-14.2179-58.8-58000113.4Q9 K10Q9-H12 PolarHBondContact O-N 3.31Å; Q9-H12 VanDerWaalsContact O-N 3.08Å; K10-H12 PolarHBondContact O-N 3.27Å; K10-H12 VanDerWaalsContact O-N 3.14Å
13Y85.7Confident80.8Confident56 Ų5688.8 Ų88.822%0.2245%0.446CS..G310 helixtrans-111.37.1-176.4-67.8-84.3000113.1P8 K10 K11 Q15 K88 D91 Y92 Q95P8-Y13 HydrophobicContact CB-CE2 3.9Å; K10-Y13 CarbonylContact O-C 3.49Å; K10-Y13 PolarHBondContact O-N 2.95Å; K11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-Q15 PolarHBondContact O-N 3.36Å; Y13-K88 HydrophobicContact CD1-CB 4.48Å; Y13-K88 WeakPolarHBondContact CD1-O 3.32Å; Y13-K88 VanDerWaalsContact O-CB 3.3Å; Y13-K88 WeakPolarHBondContact O-CB 3.28Å; Y13-D91 HydrophobicContact CD1-CB 4.49Å; Y13-D91 HydrophobicContact CE1-CB 4.18Å; Y13-Y92 AromaticContact CD2-CD2 3.65Å; Y13-Y92 HydrophobicContact CD2-CD2 3.65Å; Y13-Y92 HydrophobicContact CD2-CG 4.38Å; Y13-Y92 HydrophobicContact CE2-CD2 4.22Å; Y13-Y92 HydrophobicContact CG-CD2 4.04Å; Y13-Y92 HydrophobicContact CG-CG 4.36Å; Y13-Q95 PolarHBondContact OH-OE1 3.35Å
14R77.7Confident82Confident192 Ų19291.1 Ų91.173%0.72545%0.45SS*.  trans-57.3128179.1-82.2-176.9166.8179.6-3.4110.9K10K10-R14 PolarHBondContact O-N 3.03Å
15Q81.9Confident82.5Confident82 Ų8289.3 Ų89.338%0.38343%0.432SS..  trans-132.7164.4171.4-175.1168.5-6.200108.3Y13 A17 K88 V89Y13-Q15 PolarHBondContact O-N 3.36Å; Q15-A17 PolarHBondContact O-N 2.84Å; Q15-K88 HydrophobicContact CB-CB 4.37Å; Q15-K88 HydrophobicContact CB-CD 4.47Å; Q15-V89 HydrophobicContact CB-CG2 4.48Å
16R77.3Confident82.7Confident220 Ų22091.8 Ų91.883%0.8345%0.447SS*.  trans-50.9140.1170.4-67.6-173.1179.1-169.90.3109.9H18 R86R16-H18 PolarHBondContact O-N 3.34Å; R16-R86 WeakPolarHBondContact O-CD 3.41Å
17A75.7Confident82.7Confident53 Ų5387.2 Ų87.244%0.43842%0.423SS..SBendtrans-60.9-29.7-176.900000112.4Q15 R86Q15-A17 PolarHBondContact O-N 2.84Å; A17-R86 PolarHBondContact O-NH1 2.74Å
18H75.1Confident82.8Confident114 Ų11491.3 Ų91.353%0.52845%0.445SS..  trans-113.6145.3-174.4-47.9-76.2000111.4R16 D139R16-H18 PolarHBondContact O-N 3.34Å; H18-D139 IonicContact CE1-OD2 2.8Å; H18-D139 PolarHBondContact CE1-OD2 2.73Å; H18-D139 IonicContact CG-OD2 3.82Å; H18-D139 VanDerWaalsContact CG-OD2 3.31Å; H18-D139 VanDerWaalsContact ND1-CG 3.26Å; H18-D139 IonicContact ND1-OD2 3.53Å; H18-D139 PolarHBondContact ND1-OD2 3.06Å
19S78.9Confident83.1Confident33 Ų3394.8 Ų94.823%0.23146%0.459CS..  trans-121.1150.4168.6-171.50000108.4P21 H25S19-P21 WeakPolarHBondContact O-CD 3.3Å; S19-H25 PolarHBondContact OG-CE1 3Å
20N84.4Confident83.6Confident57 Ų5790.8 Ų90.831%0.30544%0.442SS..  trans-77.2112.1166.4177.57000107.5M22 S23 H25 W149N20-M22 PolarHBondContact O-N 3.33Å; N20-M22 WeakPolarHBondContact OD1-CA 3.37Å; N20-M22 WeakPolarHBondContact OD1-CB 3.48Å; N20-M22 PolarHBondContact OD1-N 2.94Å; N20-S23 PolarHBondContact O-N 3.47Å; N20-S23 PolarHBondContact O-OG 3.16Å; N20-H25 PolarHBondContact O-NE2 3.09Å; N20-W149 HydrophobicContact CB-CH2 4.31Å; N20-W149 VanDerWaalsContact OD1-CE2 3.29Å; N20-W149 WeakPolarHBondContact OD1-CZ2 3.36Å; N20-W149 PolarHBondContact OD1-NE1 2.69Å
21P84.9Confident84.2Confident11 Ų1191.2 Ų91.27%0.07146%0.458CS..THydrogen-bonded Turntrans-67.5-19.9178.128.2-34.1000112.1S19 I85 N116 M118 K119 W149S19-P21 WeakPolarHBondContact O-CD 3.3Å; P21-I85 HydrophobicContact CB-CD1 4.47Å; P21-N116 PolarHBondContact O-ND2 3.4Å; P21-M118 HydrophobicContact CB-CE 4.29Å; P21-M118 HydrophobicContact CB-SD 3.34Å; P21-M118 WeakPolarHBondContact CB-SD 3.42Å; P21-M118 HydrophobicContact CG-CE 4.07Å; P21-M118 HydrophobicContact CG-SD 3.52Å; P21-M118 VanDerWaalsContact CG-SD 3.52Å; P21-K119 VanDerWaalsContact O-CE 3.24Å; P21-K119 WeakPolarHBondContact O-CE 3.2Å; P21-W149 HydrophobicContact CG-CB 3.79Å; P21-W149 HydrophobicContact CG-CG 4.07Å
22M85.8Confident84.9Confident94 Ų9491.8 Ų91.846%0.46346%0.456SS..THydrogen-bonded Turntrans-87-11.7-178.6-55.7-56.8-82.800113.5N20 K119 W149N20-M22 PolarHBondContact O-N 3.33Å; N20-M22 WeakPolarHBondContact OD1-CA 3.37Å; N20-M22 WeakPolarHBondContact OD1-CB 3.48Å; N20-M22 PolarHBondContact OD1-N 2.94Å; M22-K119 PolarHBondContact O-NZ 3.12Å; M22-K119 VanDerWaalsContact O-NZ 3.16Å; M22-W149 VanDerWaalsContact CG-CD1 3.42Å
23S83.5Confident85.5Confident41 Ų4187 Ų8729%0.28744%0.436SS..SBendtrans-68.2160.1177.159.80000112.1N20 H25 K119N20-S23 PolarHBondContact O-N 3.47Å; N20-S23 PolarHBondContact O-OG 3.16Å; S23-H25 PolarHBondContact O-CD2 3.07Å; S23-H25 VanDerWaalsContact O-CD2 3.22Å; S23-H25 PolarHBondContact O-N 3.16Å; S23-H25 PolarHBondContact OG-CE1 3.09Å; S23-H25 PolarHBondContact OG-NE2 3.26Å; S23-K119 PolarHBondContact O-NZ 3.22Å; S23-K119 VanDerWaalsContact O-NZ 3.16Å
24D79.6Confident86.1Confident157 Ų15789.7 Ų89.784%0.8445%0.454SS*.  trans-76.7103.8174.6-60.4-34.2000108.9
25H80.8Confident87Confident50 Ų5084.7 Ų84.723%0.23144%0.442CS..  trans-98.4134171-64-82.3000107.3S19 N20 S23 L27 I85S19-H25 PolarHBondContact OG-CE1 3Å; N20-H25 PolarHBondContact O-NE2 3.09Å; S23-H25 PolarHBondContact O-CD2 3.07Å; S23-H25 VanDerWaalsContact O-CD2 3.22Å; S23-H25 PolarHBondContact O-N 3.16Å; S23-H25 PolarHBondContact OG-CE1 3.09Å; S23-H25 PolarHBondContact OG-NE2 3.26Å; H25-L27 HydrophobicContact CB-CD1 3.94Å; H25-L27 HydrophobicContact CB-CD2 4.08Å; H25-L27 HydrophobicContact CB-CG 3.66Å; H25-L27 PolarHBondContact O-N 3.31Å; H25-I85 WeakPolarHBondContact NE2-CD1 3.37Å
26V84.3Confident87.8Confident135 Ų13582.3 Ų82.382%0.81843%0.43SS*.  trans-70.2100.8165.2-174.30000106.9R114V26-R114 PolarHBondContact O-NH1 2.95Å
27L88.1Confident88.6Confident32 Ų3276.5 Ų76.517%0.16842%0.416CS..  trans-121.3135.6179.5-63.4174.8000108.1H25 F29 R114 N116H25-L27 HydrophobicContact CB-CD1 3.94Å; H25-L27 HydrophobicContact CB-CD2 4.08Å; H25-L27 HydrophobicContact CB-CG 3.66Å; H25-L27 PolarHBondContact O-N 3.31Å; L27-F29 HydrophobicContact CB-CD1 4.32Å; L27-R114 HydrophobicContact CD2-CG 4.23Å; L27-N116 HydrophobicContact CD1-CB 3.58Å
28D89.4Confident89.6Confident153 Ų15375.2 Ų75.282%0.81840%0.402SS*.  trans-96.1119.5170.4-170.717.8000107.8Y124D28-Y124 PolarHBondContact O-OH 2.71Å
29F94.5Very high90.6Very high86 Ų8676.2 Ų76.238%0.37740%0.402SS..  trans-144.1146.5-178.164.6-88.6000109.8L27 V120 H123 Y124L27-F29 HydrophobicContact CB-CD1 4.32Å; F29-V120 HydrophobicContact CB-CG2 4.35Å; F29-V120 HydrophobicContact CD1-CG1 4.12Å; F29-V120 HydrophobicContact CD2-CB 3.99Å; F29-V120 HydrophobicContact CD2-CG1 3.66Å; F29-V120 HydrophobicContact CE1-CG1 4.04Å; F29-V120 HydrophobicContact CE2-CB 4.36Å; F29-V120 HydrophobicContact CE2-CG1 3.58Å; F29-V120 HydrophobicContact CG-CB 4.21Å; F29-V120 HydrophobicContact CG-CG1 3.94Å; F29-V120 HydrophobicContact CG-CG2 4.32Å; F29-V120 HydrophobicContact CZ-CG1 3.77Å; F29-H123 HydrophobicContact CD2-CB 4.42Å; F29-H123 AromaticContact CD2-ND1 3.88Å; F29-H123 AromaticContact CE2-CE1 3.99Å; F29-H123 AromaticContact CE2-ND1 3.89Å; F29-Y124 HydrophobicContact CB-CE2 4.18Å; F29-Y124 VanDerWaalsContact CB-OH 3.22Å; F29-Y124 WeakPolarHBondContact CB-OH 3.37Å
30P97Very high91.4Very high18 Ų1877.9 Ų77.912%0.11741%0.413CS..  trans-66.5152.7-17830-37.7000111.4D35 F36 H123 Y124P30-D35 HydrophobicContact CB-CB 4.01Å; P30-F36 HydrophobicContact CB-CB 4.15Å; P30-F36 HydrophobicContact CG-CB 3.91Å; P30-F36 HydrophobicContact CG-CD2 4.42Å; P30-F36 HydrophobicContact CG-CG 4.3Å; P30-H123 HydrophobicContact CG-CB 4.32Å; P30-H123 VanDerWaalsContact CG-O 3.29Å; P30-H123 WeakPolarHBondContact CG-O 3.49Å; P30-H123 WeakPolarHBondContact O-CB 3.37Å; P30-H123 PolarHBondContact O-ND1 3.49Å; P30-Y124 HydrophobicContact CG-CD1 3.89Å; P30-Y124 HydrophobicContact CG-CE1 3.96Å; P30-Y124 HydrophobicContact CG-CG 4.42Å
31A96.4Very high92Very high73 Ų7377 Ų7760%0.60341%0.408SS*.SBendtrans-71.2-34.317600000111.8H123A31-H123 PolarHBondContact O-ND1 2.88Å
32R97.5Very high92.6Very high147 Ų14776.5 Ų76.556%0.55541%0.405SS*.SBendtrans-146.9166.3174.281.2-165.181.3-168.21.4110.7D34 D35 H123R32-D34 HydrophobicContact CG-CB 3.92Å; R32-D34 PolarHBondContact O-N 3.16Å; R32-D34 VanDerWaalsContact O-N 3.16Å; R32-D35 WeakPolarHBondContact CG-OD2 3.28Å; R32-D35 PolarHBondContact N-OD2 2.78Å; R32-D35 IonicContact NE-OD2 3.31Å; R32-D35 PolarHBondContact NE-OD2 3.09Å; R32-D35 WeakPolarHBondContact O-CB 3.31Å; R32-D35 PolarHBondContact O-N 2.87Å; R32-H123 CarbonylContact C-O 3.18Å
33P97.7Very high93.1Very high22 Ų2276 Ų7614%0.14341%0.407CS..G310 helixtrans-55.1-34.1-179.4-29.437.5000115.1D35 F36 P122 H123 F125 F126P33-D35 PolarHBondContact O-N 2.9Å; P33-F36 WeakPolarHBondContact O-CB 3.25Å; P33-F36 PolarHBondContact O-N 3.4Å; P33-F36 VanDerWaalsContact O-N 3.16Å; P33-P122 WeakPolarHBondContact CG-O 3.29Å; P33-H123 VanDerWaalsContact CA-O 3.25Å; P33-H123 WeakPolarHBondContact CA-O 3.37Å; P33-H123 VanDerWaalsContact N-O 3.09Å; P33-F125 WeakPolarHBondContact CG-O 3.33Å; P33-F126 HydrophobicContact CB-CD1 4.01Å; P33-F126 HydrophobicContact CB-CD2 3.63Å; P33-F126 HydrophobicContact CB-CE1 3.88Å; P33-F126 HydrophobicContact CB-CE2 3.47Å; P33-F126 VanDerWaalsContact CB-CE2 3.47Å; P33-F126 HydrophobicContact CB-CG 3.91Å; P33-F126 HydrophobicContact CB-CZ 3.63Å
34D97.1Very high93.7Very high114 Ų11478.1 Ų78.161%0.6141%0.411SS*.G310 helixtrans-63.6-26.5176.1-53.3-87.4000113.6R32 F36 F126R32-D34 HydrophobicContact CG-CB 3.92Å; R32-D34 PolarHBondContact O-N 3.16Å; R32-D34 VanDerWaalsContact O-N 3.16Å; D34-F36 VanDerWaalsContact C-N 3.25Å; D34-F36 PolarHBondContact O-N 2.96Å; D34-F126 HydrophobicContact CB-CZ 4.45Å; D34-F126 WeakPolarHBondContact OD1-CE1 3.37Å; D34-F126 WeakPolarHBondContact OD1-CZ 3.3Å
35D97.5Very high94.5Very high87 Ų8770.8 Ų70.847%0.46537%0.372SS..G310 helixtrans-85.2-0.2179.6-56.5-37.6000111.7P30 R32 P33P30-D35 HydrophobicContact CB-CB 4.01Å; R32-D35 WeakPolarHBondContact CG-OD2 3.28Å; R32-D35 PolarHBondContact N-OD2 2.78Å; R32-D35 IonicContact NE-OD2 3.31Å; R32-D35 PolarHBondContact NE-OD2 3.09Å; R32-D35 WeakPolarHBondContact O-CB 3.31Å; R32-D35 PolarHBondContact O-N 2.87Å; P33-D35 PolarHBondContact O-N 2.9Å
36F97.1Very high95.3Very high31 Ų3169.1 Ų69.114%0.13636%0.364CS..  trans-88.9107.4179.7-173.6-147.3000111.7P30 P33 D34 V38 L41 I55 I113 Y124P30-F36 HydrophobicContact CB-CB 4.15Å; P30-F36 HydrophobicContact CG-CB 3.91Å; P30-F36 HydrophobicContact CG-CD2 4.42Å; P30-F36 HydrophobicContact CG-CG 4.3Å; P33-F36 WeakPolarHBondContact O-CB 3.25Å; P33-F36 PolarHBondContact O-N 3.4Å; P33-F36 VanDerWaalsContact O-N 3.16Å; D34-F36 VanDerWaalsContact C-N 3.25Å; D34-F36 PolarHBondContact O-N 2.96Å; F36-V38 VanDerWaalsContact C-N 3.28Å; F36-V38 HydrophobicContact CD1-CG2 3.56Å; F36-V38 HydrophobicContact CE1-CG2 3.77Å; F36-V38 HydrophobicContact CG-CG2 4.21Å; F36-V38 PolarHBondContact O-N 3.17Å; F36-L41 HydrophobicContact CE2-CD1 4.03Å; F36-L41 HydrophobicContact CZ-CD1 3.64Å; F36-I55 HydrophobicContact CE1-CD1 3.74Å; F36-I55 HydrophobicContact CZ-CD1 4.38Å; F36-I113 HydrophobicContact CZ-CD1 4.4Å; F36-Y124 AromaticContact CD1-CD1 3.84Å; F36-Y124 HydrophobicContact CD1-CD1 3.84Å; F36-Y124 AromaticContact CD2-CD1 3.9Å; F36-Y124 HydrophobicContact CD2-CD1 3.9Å; F36-Y124 HydrophobicContact CD2-CE1 4.19Å; F36-Y124 AromaticContact CE1-CD1 3.76Å; F36-Y124 HydrophobicContact CE1-CD1 3.76Å; F36-Y124 AromaticContact CE2-CD1 3.85Å; F36-Y124 HydrophobicContact CE2-CD1 3.85Å; F36-Y124 HydrophobicContact CE2-CE1 4.02Å; F36-Y124 AromaticContact CG-CD1 3.92Å; F36-Y124 HydrophobicContact CG-CD1 3.92Å; F36-Y124 AromaticContact CZ-CD1 3.78Å; F36-Y124 HydrophobicContact CZ-CD1 3.78Å; F36-Y124 HydrophobicContact CZ-CE1 4.26Å
37D95.8Very high95.8Very high98 Ų9869.2 Ų69.252%0.52436%0.355SS..  trans-73.480175-175.6-0.7000112R39 S40D37-R39 PolarHBondContact O-N 3.34Å; D37-R39 WeakPolarHBondContact OD1-CB 3.28Å; D37-R39 PolarHBondContact OD1-N 3.39Å; D37-R39 VanDerWaalsContact OD1-N 3.13Å; D37-S40 PolarHBondContact O-N 3.23Å; D37-S40 PolarHBondContact O-OG 3.37Å; D37-S40 PolarHBondContact OD1-N 3.49Å; D37-S40 WeakPolarHBondContact OD2-CB 3.49Å
38V96.3Very high96Very high26 Ų2673 Ų7316%0.15838%0.38CS..Hα-helixtrans-59.5-37.2174176.10000110.8F36 S40 L41 Y42 F46 I55 L79F36-V38 VanDerWaalsContact C-N 3.28Å; F36-V38 HydrophobicContact CD1-CG2 3.56Å; F36-V38 HydrophobicContact CE1-CG2 3.77Å; F36-V38 HydrophobicContact CG-CG2 4.21Å; F36-V38 PolarHBondContact O-N 3.17Å; V38-S40 VanDerWaalsContact C-N 3.29Å; V38-S40 PolarHBondContact O-N 3.11Å; V38-L41 WeakPolarHBondContact O-CB 3.45Å; V38-L41 PolarHBondContact O-N 3.01Å; V38-Y42 HydrophobicContact CG1-CD2 3.81Å; V38-Y42 HydrophobicContact CG1-CE2 3.93Å; V38-Y42 VanDerWaalsContact O-CD2 3.26Å; V38-Y42 WeakPolarHBondContact O-CD2 3.4Å; V38-F46 HydrophobicContact CG1-CE2 4.35Å; V38-F46 HydrophobicContact CG1-CZ 4.31Å; V38-I55 HydrophobicContact CG1-CD1 4.28Å; V38-I55 HydrophobicContact CG1-CG1 4.14Å; V38-I55 HydrophobicContact CG2-CD1 4.24Å; V38-L79 HydrophobicContact CG1-CD1 3.92Å
39R95.9Very high96.3Very high136 Ų13668.7 Ų68.751%0.51336%0.355SS..Hα-helixtrans-61.1-38.2-174.8-168.8175.6-176120.24112.2D37 L41 Y42 V43 F46D37-R39 PolarHBondContact O-N 3.34Å; D37-R39 WeakPolarHBondContact OD1-CB 3.28Å; D37-R39 PolarHBondContact OD1-N 3.39Å; D37-R39 VanDerWaalsContact OD1-N 3.13Å; R39-L41 PolarHBondContact O-N 2.85Å; R39-Y42 CarbonylContact O-C 3.53Å; R39-Y42 PolarHBondContact O-N 2.81Å; R39-Y42 VanDerWaalsContact O-N 3.16Å; R39-V43 PolarHBondContact O-N 2.86Å; R39-F46 HydrophobicContact CB-CD2 4.26Å; R39-F46 HydrophobicContact CB-CE2 4.24Å; R39-F46 HydrophobicContact CG-CB 4.48Å; R39-F46 HydrophobicContact CG-CD2 3.81Å; R39-F46 HydrophobicContact CG-CE2 4.29Å; R39-F46 HydrophobicContact CG-CG 4.24Å
40S95.8Very high96.2Very high68 Ų6869.6 Ų69.648%0.47636%0.363SS..Hα-helixtrans-56.8-30176.372.10000113.9D37 V38D37-S40 PolarHBondContact O-N 3.23Å; D37-S40 PolarHBondContact O-OG 3.37Å; D37-S40 PolarHBondContact OD1-N 3.49Å; D37-S40 WeakPolarHBondContact OD2-CB 3.49Å; V38-S40 VanDerWaalsContact C-N 3.29Å; V38-S40 PolarHBondContact O-N 3.11Å
41L97.3Very high96Very high39 Ų3972 Ų7220%0.20438%0.381CS..Hα-helixtrans-82-24.8-177.8-61.5-179.1000112.8F36 V38 R39 R101 A111 I113F36-L41 HydrophobicContact CE2-CD1 4.03Å; F36-L41 HydrophobicContact CZ-CD1 3.64Å; V38-L41 WeakPolarHBondContact O-CB 3.45Å; V38-L41 PolarHBondContact O-N 3.01Å; R39-L41 PolarHBondContact O-N 2.85Å; L41-R101 PolarHBondContact O-NH1 3.34Å; L41-R101 PolarHBondContact O-NH2 3.31Å; L41-A111 HydrophobicContact CB-CB 3.9Å; L41-A111 HydrophobicContact CD1-CB 4.41Å; L41-I113 HydrophobicContact CD1-CG2 3.65Å; L41-I113 HydrophobicContact CD2-CG2 4.36Å
42Y97.8Very high95.9Very high0 Ų074.5 Ų74.50%038%0.38CS..  trans-129.434.1-169.3-52.4-83.2000112.8V38 R39 K44 F45 F46 I55 L79 I80 V81 S108 N109 A111V38-Y42 HydrophobicContact CG1-CD2 3.81Å; V38-Y42 HydrophobicContact CG1-CE2 3.93Å; V38-Y42 VanDerWaalsContact O-CD2 3.26Å; V38-Y42 WeakPolarHBondContact O-CD2 3.4Å; R39-Y42 CarbonylContact O-C 3.53Å; R39-Y42 PolarHBondContact O-N 2.81Å; R39-Y42 VanDerWaalsContact O-N 3.16Å; Y42-K44 VanDerWaalsContact C-N 3.31Å; Y42-K44 PolarHBondContact O-N 3.41Å; Y42-K44 VanDerWaalsContact O-N 3.12Å; Y42-F45 WeakPolarHBondContact O-CA 3.49Å; Y42-F45 VanDerWaalsContact O-CB 3.3Å; Y42-F45 WeakPolarHBondContact O-CB 3.14Å; Y42-F45 PolarHBondContact O-N 2.96Å; Y42-F46 HydrophobicContact CD2-CE2 4.49Å; Y42-F46 WeakPolarHBondContact O-CD2 3.19Å; Y42-F46 PolarHBondContact O-N 3.43Å; Y42-I55 HydrophobicContact CE2-CD1 4.13Å; Y42-I55 HydrophobicContact CE2-CG1 4.02Å; Y42-L79 HydrophobicContact CD1-CD2 3.62Å; Y42-L79 HydrophobicContact CD2-CD1 4.09Å; Y42-L79 HydrophobicContact CD2-CD2 4.01Å; Y42-L79 HydrophobicContact CE1-CD2 4.03Å; Y42-L79 HydrophobicContact CE2-CD1 4.38Å; Y42-L79 HydrophobicContact CE2-CD2 4.43Å; Y42-L79 HydrophobicContact CG-CD1 4.48Å; Y42-L79 HydrophobicContact CG-CD2 3.61Å; Y42-I80 VanDerWaalsContact OH-C 3.24Å; Y42-I80 PolarHBondContact OH-O 2.87Å; Y42-V81 WeakPolarHBondContact OH-CB 3.34Å; Y42-S108 WeakPolarHBondContact CD1-O 3.3Å; Y42-N109 VanDerWaalsContact CE1-O 3.23Å; Y42-N109 WeakPolarHBondContact CE1-O 3.26Å; Y42-A111 HydrophobicContact CD1-CB 4.24Å; Y42-A111 HydrophobicContact CE1-CB 3.52Å; Y42-A111 HydrophobicContact CE2-CB 4.22Å; Y42-A111 VanDerWaalsContact CZ-CB 3.5Å
43V96.2Very high95.8Very high84 Ų8468.9 Ų68.951%0.50937%0.365SS..THydrogen-bonded Turntrans-42.7-53.2-175.2177.90000113.2R39 F45 F46 E47R39-V43 PolarHBondContact O-N 2.86Å; V43-F45 VanDerWaalsContact C-N 3.34Å; V43-F45 PolarHBondContact O-N 3.2Å; V43-F46 PolarHBondContact O-N 3.12Å; V43-E47 PolarHBondContact O-N 3.04Å
44K94.8Very high95.8Very high84 Ų8473.3 Ų73.337%0.36538%0.379SS..THydrogen-bonded Turntrans-67.9-28.1-179.1-69.3-159.6175.8-173.40114.6Y42 Q105Y42-K44 VanDerWaalsContact C-N 3.31Å; Y42-K44 PolarHBondContact O-N 3.41Å; Y42-K44 VanDerWaalsContact O-N 3.12Å; K44-Q105 VanDerWaalsContact NZ-NE2 3.1Å
45F97.2Very high95.9Very high4 Ų467.9 Ų67.92%0.01835%0.35CS..G310 helixtrans-67.1-45.3176.1177.8-87.9000110.1Y42 V43 E47 T48 H49 A53 P76 L79 N109Y42-F45 WeakPolarHBondContact O-CA 3.49Å; Y42-F45 VanDerWaalsContact O-CB 3.3Å; Y42-F45 WeakPolarHBondContact O-CB 3.14Å; Y42-F45 PolarHBondContact O-N 2.96Å; V43-F45 VanDerWaalsContact C-N 3.34Å; V43-F45 PolarHBondContact O-N 3.2Å; F45-E47 PolarHBondContact O-N 3.11Å; F45-E47 VanDerWaalsContact O-N 3.15Å; F45-T48 PolarHBondContact O-N 3.32Å; F45-H49 HydrophobicContact CD1-CB 3.83Å; F45-H49 AromaticContact CD2-CE1 3.87Å; F45-H49 AromaticContact CD2-ND1 3.73Å; F45-H49 HydrophobicContact CE1-CB 3.42Å; F45-H49 VanDerWaalsContact CE1-CB 3.42Å; F45-H49 AromaticContact CE1-CG 3.7Å; F45-H49 HydrophobicContact CE2-CB 4.39Å; F45-H49 AromaticContact CE2-CD2 3.74Å; F45-H49 AromaticContact CE2-CE1 3.84Å; F45-H49 AromaticContact CE2-CG 3.74Å; F45-H49 AromaticContact CE2-ND1 3.8Å; F45-H49 AromaticContact CE2-NE2 3.82Å; F45-H49 HydrophobicContact CG-CB 4.47Å; F45-H49 AromaticContact CG-ND1 3.89Å; F45-H49 HydrophobicContact CZ-CB 3.73Å; F45-H49 AromaticContact CZ-CD2 3.65Å; F45-H49 AromaticContact CZ-CG 3.53Å; F45-H49 WeakPolarHBondContact O-CB 3.41Å; F45-H49 PolarHBondContact O-N 2.88Å; F45-H49 VanDerWaalsContact O-N 3.17Å; F45-H49 PolarHBondContact O-ND1 3.36Å; F45-A53 HydrophobicContact CE1-CB 3.98Å; F45-P76 WeakPolarHBondContact CE2-O 3.35Å; F45-L79 HydrophobicContact CB-CD2 4.37Å; F45-L79 HydrophobicContact CD1-CD2 3.46Å; F45-L79 VanDerWaalsContact CD1-CD2 3.46Å; F45-L79 HydrophobicContact CD1-CG 4.26Å; F45-L79 HydrophobicContact CD2-CD2 3.98Å; F45-L79 HydrophobicContact CE1-CD1 4.49Å; F45-L79 HydrophobicContact CE1-CD2 3.57Å; F45-L79 HydrophobicContact CE1-CG 3.93Å; F45-L79 HydrophobicContact CE2-CD2 4.06Å; F45-L79 HydrophobicContact CG-CD2 3.67Å; F45-L79 HydrophobicContact CZ-CD2 3.87Å; F45-L79 HydrophobicContact CZ-CG 4.23Å; F45-N109 HydrophobicContact CD2-CB 3.74Å; F45-N109 HydrophobicContact CE2-CB 3.93Å
46F97Very high95.9Very high15 Ų1565.8 Ų65.87%0.06634%0.337CS..G310 helixtrans-72.1-1.4179.7-71.8-68.5000114.7V38 R39 Y42 V43 T48 D50 A53 L79V38-F46 HydrophobicContact CG1-CE2 4.35Å; V38-F46 HydrophobicContact CG1-CZ 4.31Å; R39-F46 HydrophobicContact CB-CD2 4.26Å; R39-F46 HydrophobicContact CB-CE2 4.24Å; R39-F46 HydrophobicContact CG-CB 4.48Å; R39-F46 HydrophobicContact CG-CD2 3.81Å; R39-F46 HydrophobicContact CG-CE2 4.29Å; R39-F46 HydrophobicContact CG-CG 4.24Å; Y42-F46 HydrophobicContact CD2-CE2 4.49Å; Y42-F46 WeakPolarHBondContact O-CD2 3.19Å; Y42-F46 PolarHBondContact O-N 3.43Å; V43-F46 PolarHBondContact O-N 3.12Å; F46-T48 VanDerWaalsContact C-N 3.31Å; F46-D50 WeakPolarHBondContact CD1-O 3.41Å; F46-D50 VanDerWaalsContact CE1-O 3.31Å; F46-D50 WeakPolarHBondContact CE1-O 3.28Å; F46-A53 HydrophobicContact CE1-CB 4.01Å; F46-L79 HydrophobicContact CE2-CD1 4.2Å; F46-L79 HydrophobicContact CZ-CD1 3.76Å
47E95.1Very high96Very high136 Ų13664.5 Ų64.564%0.63633%0.331SS*.G310 helixtrans-73.3-26.8169.7-69.7171.5-163.500111.8V43 F45V43-E47 PolarHBondContact O-N 3.04Å; F45-E47 PolarHBondContact O-N 3.11Å; F45-E47 VanDerWaalsContact O-N 3.15Å
48T93.4Very high96.2Very high112 Ų11259.8 Ų59.869%0.68731%0.306SS*.THydrogen-bonded Turntrans-128.5-6.1-173.2640000114.5F45 F46F45-T48 PolarHBondContact O-N 3.32Å; F46-T48 VanDerWaalsContact C-N 3.31Å
49H94.7Very high96.3Very high63 Ų6358.8 Ų58.829%0.29230%0.3SS..SBendtrans-118.4168.9-177.2-60.680.8000111.3F45 S51 D77F45-H49 HydrophobicContact CD1-CB 3.83Å; F45-H49 AromaticContact CD2-CE1 3.87Å; F45-H49 AromaticContact CD2-ND1 3.73Å; F45-H49 HydrophobicContact CE1-CB 3.42Å; F45-H49 VanDerWaalsContact CE1-CB 3.42Å; F45-H49 AromaticContact CE1-CG 3.7Å; F45-H49 HydrophobicContact CE2-CB 4.39Å; F45-H49 AromaticContact CE2-CD2 3.74Å; F45-H49 AromaticContact CE2-CE1 3.84Å; F45-H49 AromaticContact CE2-CG 3.74Å; F45-H49 AromaticContact CE2-ND1 3.8Å; F45-H49 AromaticContact CE2-NE2 3.82Å; F45-H49 HydrophobicContact CG-CB 4.47Å; F45-H49 AromaticContact CG-ND1 3.89Å; F45-H49 HydrophobicContact CZ-CB 3.73Å; F45-H49 AromaticContact CZ-CD2 3.65Å; F45-H49 AromaticContact CZ-CG 3.53Å; F45-H49 WeakPolarHBondContact O-CB 3.41Å; F45-H49 PolarHBondContact O-N 2.88Å; F45-H49 VanDerWaalsContact O-N 3.17Å; F45-H49 PolarHBondContact O-ND1 3.36Å; H49-S51 PolarHBondContact O-N 2.96Å; H49-D77 IonicContact CD2-OD1 3.88Å; H49-D77 IonicContact NE2-OD1 2.88Å
50D93.2Very high96.4Very high104 Ų10452.9 Ų52.956%0.55628%0.279SS*.  trans-51129.6177.5-173.9-2.8000111.9F46 E52 A53F46-D50 WeakPolarHBondContact CD1-O 3.41Å; F46-D50 VanDerWaalsContact CE1-O 3.31Å; F46-D50 WeakPolarHBondContact CE1-O 3.28Å; D50-E52 PolarHBondContact O-N 3.38Å; D50-E52 PolarHBondContact OD1-N 3.41Å; D50-A53 HydrophobicContact CB-CB 4.49Å; D50-A53 VanDerWaalsContact O-CB 3.29Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 3.4Å
51S92.7Very high96.5Very high69 Ų6951.6 Ų51.648%0.48328%0.277SS..THydrogen-bonded Turntrans-65.5-21.3176.857.10000113.2H49H49-S51 PolarHBondContact O-N 2.96Å
52E93.4Very high96.5Very high126 Ų12650.1 Ų50.159%0.58927%0.27SS*.THydrogen-bonded Turntrans-92.32.3178.4-59.6-54.712700113.3D50 R54D50-E52 PolarHBondContact O-N 3.38Å; D50-E52 PolarHBondContact OD1-N 3.41Å; E52-R54 WeakPolarHBondContact O-CG 3.46Å; E52-R54 PolarHBondContact O-N 3.03Å
53A96.1Very high96.3Very high28 Ų2850.7 Ų50.723%0.23128%0.275CS..  trans-57.6133.117800000111.5F45 F46 D50 L79F45-A53 HydrophobicContact CE1-CB 3.98Å; F46-A53 HydrophobicContact CE1-CB 4.01Å; D50-A53 HydrophobicContact CB-CB 4.49Å; D50-A53 VanDerWaalsContact O-CB 3.29Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 3.4Å; A53-L79 HydrophobicContact CB-CD1 4.36Å
54R97.6Very high96.3Very high115 Ų11548.5 Ų48.543%0.43426%0.258SS..  trans-113.4159.6-178.6-59.3-173.9-175.4-126.2-7.4110.8E52 E56 Q129E52-R54 WeakPolarHBondContact O-CG 3.46Å; E52-R54 PolarHBondContact O-N 3.03Å; R54-E56 WeakPolarHBondContact O-CG 3.38Å; R54-E56 PolarHBondContact O-N 2.83Å; R54-Q129 HydrophobicContact CB-CG 4.1Å
55I98.7Very high96.5Very high0 Ų044.5 Ų44.50%024%0.241CC..EExtended strand (participates in β ladder)trans-63.5123.9172.4-63.8164.5000108.8F36 V38 Y42 L79 V81 F125 Q129 L130F36-I55 HydrophobicContact CE1-CD1 3.74Å; F36-I55 HydrophobicContact CZ-CD1 4.38Å; V38-I55 HydrophobicContact CG1-CD1 4.28Å; V38-I55 HydrophobicContact CG1-CG1 4.14Å; V38-I55 HydrophobicContact CG2-CD1 4.24Å; Y42-I55 HydrophobicContact CE2-CD1 4.13Å; Y42-I55 HydrophobicContact CE2-CG1 4.02Å; I55-L79 HydrophobicContact CB-CB 4.46Å; I55-L79 HydrophobicContact CG1-CB 4.1Å; I55-V81 HydrophobicContact CD1-CB 4.14Å; I55-V81 HydrophobicContact CD1-CG1 4.2Å; I55-V81 HydrophobicContact CG2-CB 4.14Å; I55-V81 HydrophobicContact CG2-CG1 3.73Å; I55-F125 HydrophobicContact CB-CE1 3.95Å; I55-F125 HydrophobicContact CD1-CE1 4.04Å; I55-F125 HydrophobicContact CG2-CE1 3.79Å; I55-F125 HydrophobicContact CG2-CZ 4.39Å; I55-Q129 WeakPolarHBondContact O-CG 3.16Å; I55-Q129 PolarHBondContact O-NE2 3.08Å; I55-L130 HydrophobicContact CG2-CD2 4.11Å; I55-L130 WeakPolarHBondContact O-CD2 3.28Å
56E98.7Very high96.5Very high44 Ų4444.8 Ų44.821%0.20625%0.245CC..EExtended strand (participates in β ladder)trans-112.4-20.9-178.2-52.1-166.6136.300112.4R54 S78 L79 K131 K132R54-E56 WeakPolarHBondContact O-CG 3.38Å; R54-E56 PolarHBondContact O-N 2.83Å; E56-S78 PolarHBondContact OE2-OG 3.12Å; E56-L79 PolarHBondContact N-O 3.5Å; E56-K131 HydrophobicContact CB-CB 4.49Å; E56-K131 HydrophobicContact CB-CD 4.24Å; E56-K131 HydrophobicContact CB-CG 4.29Å; E56-K131 VanDerWaalsContact CD-CE 3.47Å; E56-K131 PolarHBondContact O-N 2.87Å; E56-K131 WeakPolarHBondContact OE1-CE 3.46Å; E56-K131 IonicContact OE1-NZ 2.79Å; E56-K131 PolarHBondContact OE1-NZ 2.9Å; E56-K131 IonicContact OE2-NZ 3.31Å; E56-K131 PolarHBondContact OE2-NZ 3.29Å; E56-K132 PolarHBondContact O-N 2.91Å; E56-K132 VanDerWaalsContact O-N 3.16Å
57I98.9Very high96.6Very high3 Ų344.1 Ų44.12%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-127.7128.8-173.3-55.2-179.3000110L71 Y75 L79 I80 V81 K132 F134I57-L71 HydrophobicContact CG2-CD1 4.14Å; I57-Y75 HydrophobicContact CD1-CD1 3.92Å; I57-Y75 HydrophobicContact CD1-CD2 3.73Å; I57-Y75 HydrophobicContact CD1-CE1 4.35Å; I57-Y75 HydrophobicContact CD1-CE2 4.15Å; I57-Y75 HydrophobicContact CD1-CG 3.6Å; I57-L79 PolarHBondContact N-O 3.21Å; I57-I80 HydrophobicContact CB-CB 4.26Å; I57-I80 HydrophobicContact CB-CG1 4.05Å; I57-I80 HydrophobicContact CB-CG2 3.93Å; I57-I80 HydrophobicContact CD1-CD1 4.24Å; I57-I80 HydrophobicContact CD1-CG1 4.23Å; I57-I80 HydrophobicContact CG2-CG2 3.79Å; I57-I80 VanDerWaalsContact O-CA 3.32Å; I57-I80 WeakPolarHBondContact O-CA 3.34Å; I57-V81 PolarHBondContact O-N 3.38Å; I57-K132 WeakPolarHBondContact CA-O 3.3Å; I57-K132 HydrophobicContact CG1-CB 4.35Å; I57-K132 HydrophobicContact CG2-CB 4.15Å; I57-F134 HydrophobicContact CG2-CD2 4.13Å; I57-F134 HydrophobicContact CG2-CE2 3.55Å
58L98.9Very high96.7Very high0 Ų037.6 Ų37.60%021%0.211CC..EExtended strand (participates in β ladder)trans-124.3126.8-176.7176.764.8000112V60 V81 M83 L121 F125 L130 K132 M133 F134L58-V60 HydrophobicContact CD1-CG2 4.37Å; L58-V60 HydrophobicContact CD2-CG2 3.58Å; L58-V60 HydrophobicContact CG-CG2 3.66Å; L58-V81 WeakPolarHBondContact CA-O 3.13Å; L58-V81 HydrophobicContact CD1-CG1 3.47Å; L58-V81 VanDerWaalsContact CD1-CG1 3.47Å; L58-M83 HydrophobicContact CD1-CB 4.33Å; L58-M83 HydrophobicContact CD1-CE 4.36Å; L58-M83 HydrophobicContact CD1-CG 3.73Å; L58-M83 HydrophobicContact CD1-SD 3.83Å; L58-M83 HydrophobicContact CD2-SD 4.44Å; L58-L121 HydrophobicContact CD2-CD1 3.62Å; L58-F125 HydrophobicContact CD1-CE2 4.26Å; L58-F125 HydrophobicContact CD1-CZ 4.09Å; L58-F125 HydrophobicContact CD2-CE2 3.81Å; L58-F125 HydrophobicContact CD2-CZ 4.33Å; L58-L130 HydrophobicContact CB-CD1 3.99Å; L58-L130 HydrophobicContact CB-CD2 4.29Å; L58-L130 HydrophobicContact CD2-CD1 3.75Å; L58-K132 PolarHBondContact N-O 2.9Å; L58-M133 HydrophobicContact CB-CG 4.31Å; L58-M133 HydrophobicContact CD2-CE 3.87Å; L58-M133 HydrophobicContact CD2-CG 4.41Å; L58-M133 CarbonylContact O-C 3.59Å; L58-M133 WeakPolarHBondContact O-CA 3.42Å; L58-F134 PolarHBondContact O-N 3.15Å
59D98.7Very high97Very high4 Ų433.2 Ų33.22%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-104.2101.7169.9-177.613.6000109.6C62 L67 L68 V81 G82 M83D59-C62 HydrophobicContact CB-CB 4.05Å; D59-C62 VanDerWaalsContact CG-CB 3.49Å; D59-C62 VanDerWaalsContact OD2-CA 3.28Å; D59-C62 WeakPolarHBondContact OD2-CA 3.44Å; D59-C62 WeakPolarHBondContact OD2-CB 3.48Å; D59-L67 HydrophobicContact CB-CD2 4.08Å; D59-L68 HydrophobicContact CB-CD2 3.81Å; D59-L68 HydrophobicContact CB-CG 4.42Å; D59-V81 PolarHBondContact N-O 3.46Å; D59-G82 WeakPolarHBondContact O-CA 3.24Å; D59-M83 PolarHBondContact O-N 2.87Å
60V98.4Very high97.1Very high12 Ų1231.6 Ų31.67%0.07318%0.182CC..EExtended strand (participates in β ladder)trans-87120.6-176.7-175.40000110L58 A117 M133 F134 F135 I151L58-V60 HydrophobicContact CD1-CG2 4.37Å; L58-V60 HydrophobicContact CD2-CG2 3.58Å; L58-V60 HydrophobicContact CG-CG2 3.66Å; V60-A117 HydrophobicContact CG1-CB 3.63Å; V60-M133 HydrophobicContact CG2-CE 4.48Å; V60-F134 PolarHBondContact N-O 3.39Å; V60-F135 HydrophobicContact CB-CD1 3.75Å; V60-F135 HydrophobicContact CB-CE1 3.59Å; V60-F135 HydrophobicContact CB-CZ 4.35Å; V60-F135 HydrophobicContact CG1-CD1 4.04Å; V60-F135 HydrophobicContact CG1-CE1 3.74Å; V60-F135 HydrophobicContact CG2-CD1 4.25Å; V60-F135 HydrophobicContact CG2-CE1 3.66Å; V60-F135 HydrophobicContact CG2-CZ 3.96Å; V60-I151 HydrophobicContact CG1-CD1 3.97Å; V60-I151 HydrophobicContact CG1-CG1 3.99Å
61G96.9Very high97.4Very high41 Ų4126.6 Ų26.642%0.42316%0.155SC..THydrogen-bonded Turntrans7346.3-171.100000111.4G63 M83G61-G63 PolarHBondContact O-N 3.16Å; G61-M83 VanDerWaalsContact CA-O 3.24Å; G61-M83 WeakPolarHBondContact CA-O 3.39Å; G61-M83 PolarHBondContact N-O 3.38Å
62C97.4Very high97.7Very high9 Ų923.3 Ų23.36%0.06113%0.132CC..  trans-59.7-9.2-169.669.10000115.5D59 Y64 G65 L68 M83D59-C62 HydrophobicContact CB-CB 4.05Å; D59-C62 VanDerWaalsContact CG-CB 3.49Å; D59-C62 VanDerWaalsContact OD2-CA 3.28Å; D59-C62 WeakPolarHBondContact OD2-CA 3.44Å; D59-C62 WeakPolarHBondContact OD2-CB 3.48Å; C62-Y64 PolarHBondContact O-N 3.16Å; C62-G65 PolarHBondContact O-N 2.95Å; C62-L68 HydrophobicContact CB-CD1 4.23Å; C62-M83 PolarHBondContact N-O 3.38Å
63G95.4Very high97.9Very high11 Ų1120.4 Ų20.411%0.11312%0.124CC..THydrogen-bonded Turntrans55.8-130.3178.400000110.8G61 G65 E84 V89 V93G61-G63 PolarHBondContact O-N 3.16Å; G63-G65 PolarHBondContact O-N 3.1Å; G63-E84 WeakPolarHBondContact CA-OE2 3.37Å; G63-E84 PolarHBondContact N-OE2 2.87Å; G63-V89 WeakPolarHBondContact O-CG1 3.46Å; G63-V93 WeakPolarHBondContact O-CG2 3.3Å
64Y96.1Very high98Very high39 Ų3923.3 Ų23.315%0.15314%0.135CC..THydrogen-bonded Turntrans-81.516.7178.8-64.5-85.5000114K10 C62 G66 V89 Y92 V93 R96 E215K10-Y64 HydrophobicContact CB-CD1 4.48Å; K10-Y64 HydrophobicContact CB-CE1 4.26Å; K10-Y64 HydrophobicContact CD-CD1 4.23Å; K10-Y64 HydrophobicContact CD-CG 4.37Å; K10-Y64 HydrophobicContact CG-CD1 3.91Å; K10-Y64 HydrophobicContact CG-CE1 4.19Å; C62-Y64 PolarHBondContact O-N 3.16Å; Y64-G66 PolarHBondContact O-N 3.08Å; Y64-V89 HydrophobicContact CD1-CG1 4.46Å; Y64-Y92 AromaticContact CD1-CD1 3.5Å; Y64-Y92 HydrophobicContact CD1-CD1 3.5Å; Y64-Y92 HydrophobicContact CD1-CD2 4.48Å; Y64-Y92 AromaticContact CD1-CE1 3.77Å; Y64-Y92 HydrophobicContact CD1-CE1 3.77Å; Y64-Y92 AromaticContact CD1-CG 3.9Å; Y64-Y92 HydrophobicContact CD1-CG 3.9Å; Y64-Y92 HydrophobicContact CE1-CD1 4.44Å; Y64-Y92 HydrophobicContact CE1-CG 4.43Å; Y64-Y92 HydrophobicContact CG-CD1 4.29Å; Y64-Y92 HydrophobicContact CG-CE1 4.31Å; Y64-V93 VanDerWaalsContact C-CG2 3.44Å; Y64-R96 PolarHBondContact O-NH1 2.74Å; Y64-E215 HydrophobicContact CD2-CG 3.98Å; Y64-E215 HydrophobicContact CG-CG 4.4Å
65G97.6Very high98Very high0 Ų020.5 Ų20.50%013%0.125CC..THydrogen-bonded Turntrans72.325.4171.100000114.5C62 G63 V69C62-G65 PolarHBondContact O-N 2.95Å; G63-G65 PolarHBondContact O-N 3.1Å; G65-V69 WeakPolarHBondContact O-CG2 3.42Å; G65-V69 PolarHBondContact O-N 2.75Å
66G97.7Very high97.9Very high10 Ų1023.5 Ų23.510%0.10314%0.144CC..Hα-helixtrans-60.7-47.6179.500000112.4Y64 V69 A70 S213Y64-G66 PolarHBondContact O-N 3.08Å; G66-V69 PolarHBondContact O-N 2.63Å; G66-A70 PolarHBondContact O-N 2.89Å; G66-S213 CarbonylContact C-O 3.6Å; G66-S213 WeakPolarHBondContact CA-O 3.46Å
67L98.5Very high97.7Very high0 Ų027 Ų270%016%0.164CC..Hα-helixtrans-64.4-47.9178.6-177.668.8000111.8D59 V69 A70 L71 F134 L136 I209 S213 T214D59-L67 HydrophobicContact CB-CD2 4.08Å; L67-V69 VanDerWaalsContact C-N 3.29Å; L67-V69 PolarHBondContact O-N 2.89Å; L67-A70 CarbonylContact O-C 3.59Å; L67-A70 WeakPolarHBondContact O-CA 3.28Å; L67-A70 WeakPolarHBondContact O-CB 3.32Å; L67-A70 PolarHBondContact O-N 2.64Å; L67-L71 HydrophobicContact CD1-CD1 3.97Å; L67-L71 HydrophobicContact CD1-CD2 4.24Å; L67-L71 HydrophobicContact CD1-CG 3.88Å; L67-L71 HydrophobicContact CD2-CD1 3.99Å; L67-L71 HydrophobicContact CG-CD1 3.63Å; L67-L71 HydrophobicContact CG-CG 3.94Å; L67-L71 WeakPolarHBondContact O-CG 3.22Å; L67-L71 PolarHBondContact O-N 3.47Å; L67-F134 HydrophobicContact CD2-CB 3.6Å; L67-F134 HydrophobicContact CD2-CD1 3.98Å; L67-F134 HydrophobicContact CD2-CD2 3.82Å; L67-F134 HydrophobicContact CD2-CE2 4.48Å; L67-F134 HydrophobicContact CD2-CG 3.54Å; L67-L136 HydrophobicContact CB-CD1 4.34Å; L67-L136 HydrophobicContact CD1-CD1 4.02Å; L67-L136 HydrophobicContact CD2-CD1 3.53Å; L67-L136 HydrophobicContact CD2-CG 4.3Å; L67-L136 HydrophobicContact CG-CD1 4.15Å; L67-I209 HydrophobicContact CD1-CG2 3.75Å; L67-S213 WeakPolarHBondContact CA-OG 3.31Å; L67-T214 HydrophobicContact CB-CG2 4.31Å
68L98.6Very high97.7Very high0 Ų027.7 Ų27.70%017%0.17CC..Hα-helixtrans-50.9-49177.5-61.7175.4000112.3D59 C62 A70 L71 S72 I80 V93 I97 I110D59-L68 HydrophobicContact CB-CD2 3.81Å; D59-L68 HydrophobicContact CB-CG 4.42Å; C62-L68 HydrophobicContact CB-CD1 4.23Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.05Å; L68-L71 PolarHBondContact O-N 2.84Å; L68-S72 WeakPolarHBondContact O-CB 3.37Å; L68-S72 PolarHBondContact O-N 3.07Å; L68-I80 HydrophobicContact CD2-CG2 3.65Å; L68-V93 HydrophobicContact CD1-CG1 3.96Å; L68-I97 HydrophobicContact CD1-CD1 4.29Å; L68-I110 HydrophobicContact CB-CD1 4.2Å
69V98.3Very high97.7Very high20 Ų2027.8 Ų27.812%0.12117%0.17CC..Hα-helixtrans-66.1-32.6-179.8173.20000111.9G65 G66 L67 P73 L100 Y107 I110G65-V69 WeakPolarHBondContact O-CG2 3.42Å; G65-V69 PolarHBondContact O-N 2.75Å; G66-V69 PolarHBondContact O-N 2.63Å; L67-V69 VanDerWaalsContact C-N 3.29Å; L67-V69 PolarHBondContact O-N 2.89Å; V69-P73 WeakPolarHBondContact O-CD 3.5Å; V69-L100 HydrophobicContact CG1-CD1 4.1Å; V69-L100 HydrophobicContact CG2-CD1 3.54Å; V69-Y107 HydrophobicContact CG1-CE1 3.81Å; V69-I110 HydrophobicContact CG2-CD1 4.09Å
70A98.2Very high97.7Very high28 Ų2827.6 Ų27.623%0.23117%0.169CC..Hα-helixtrans-76.3-35.6176.900000113G66 L67 L68 P73 I209G66-A70 PolarHBondContact O-N 2.89Å; L67-A70 CarbonylContact O-C 3.59Å; L67-A70 WeakPolarHBondContact O-CA 3.28Å; L67-A70 WeakPolarHBondContact O-CB 3.32Å; L67-A70 PolarHBondContact O-N 2.64Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.05Å; A70-P73 WeakPolarHBondContact O-CD 3.39Å; A70-I209 HydrophobicContact CB-CG2 3.67Å
71L98.4Very high97.7Very high0 Ų027 Ų270%017%0.166CC..Hα-helixtrans-77.5-32.1179.6-67.9178.7000113I57 L67 L68 L74 Y75 I80 F134 L206 I209I57-L71 HydrophobicContact CG2-CD1 4.14Å; L67-L71 HydrophobicContact CD1-CD1 3.97Å; L67-L71 HydrophobicContact CD1-CD2 4.24Å; L67-L71 HydrophobicContact CD1-CG 3.88Å; L67-L71 HydrophobicContact CD2-CD1 3.99Å; L67-L71 HydrophobicContact CG-CD1 3.63Å; L67-L71 HydrophobicContact CG-CG 3.94Å; L67-L71 WeakPolarHBondContact O-CG 3.22Å; L67-L71 PolarHBondContact O-N 3.47Å; L68-L71 PolarHBondContact O-N 2.84Å; L71-L74 WeakPolarHBondContact O-CA 3.44Å; L71-L74 WeakPolarHBondContact O-CB 3.24Å; L71-L74 PolarHBondContact O-N 3.13Å; L71-Y75 HydrophobicContact CB-CD2 4.39Å; L71-Y75 HydrophobicContact CD2-CD2 4.34Å; L71-Y75 HydrophobicContact CD2-CE2 4.02Å; L71-Y75 PolarHBondContact O-N 2.85Å; L71-Y75 VanDerWaalsContact O-N 3.08Å; L71-I80 HydrophobicContact CB-CD1 3.61Å; L71-F134 HydrophobicContact CD1-CD2 4.16Å; L71-F134 HydrophobicContact CD1-CE2 3.6Å; L71-F134 HydrophobicContact CD1-CZ 4.03Å; L71-F134 HydrophobicContact CD2-CZ 4.38Å; L71-L206 HydrophobicContact CD2-CD2 3.9Å; L71-I209 HydrophobicContact CD2-CG2 4.34Å
72S98.5Very high97.8Very high0 Ų025.1 Ų25.10%015%0.146CC..G310 helixtrans-44.2-54.9-179.31760000114.5L68 L74 Y75 V106 Y107 N109 I110L68-S72 WeakPolarHBondContact O-CB 3.37Å; L68-S72 PolarHBondContact O-N 3.07Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3Å; S72-Y75 CarbonylContact O-C 3.58Å; S72-Y75 PolarHBondContact O-N 3.43Å; S72-V106 PolarHBondContact OG-O 3.17Å; S72-Y107 WeakPolarHBondContact OG-CA 3.31Å; S72-Y107 VanDerWaalsContact OG-CD1 3.29Å; S72-Y107 WeakPolarHBondContact OG-CD1 3.35Å; S72-N109 PolarHBondContact O-ND2 3.18Å; S72-N109 PolarHBondContact OG-OD1 2.96Å; S72-I110 VanDerWaalsContact CB-CG2 3.5Å
73P97.8Very high97.8Very high65 Ų6524.8 Ų24.842%0.42214%0.144SC..G310 helixtrans-72.3-16.9178.229.7-37.7000114.7V69 A70 V106V69-P73 WeakPolarHBondContact O-CD 3.5Å; A70-P73 WeakPolarHBondContact O-CD 3.39Å; P73-V106 HydrophobicContact CB-CG2 3.85Å
74L97.8Very high97.9Very high88 Ų8824.6 Ų24.646%0.46114%0.139SC..G310 helixtrans-84-23.2178.2-64.6-174.1000113.2L71 S72 P76 L206 I209L71-L74 WeakPolarHBondContact O-CA 3.44Å; L71-L74 WeakPolarHBondContact O-CB 3.24Å; L71-L74 PolarHBondContact O-N 3.13Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3Å; L74-P76 VanDerWaalsContact C-CD 3.44Å; L74-L206 HydrophobicContact CD1-CD2 3.99Å; L74-I209 HydrophobicContact CD1-CD1 3.19Å; L74-I209 HydrophobicContact CG-CD1 4.32Å
75Y97.6Very high97.9Very high57 Ų5724 Ų2422%0.22414%0.139CC..  trans-130.357.3-178.9-62.4-79000110.6I57 L71 S72 D77 S78 N109 K132 L206I57-Y75 HydrophobicContact CD1-CD1 3.92Å; I57-Y75 HydrophobicContact CD1-CD2 3.73Å; I57-Y75 HydrophobicContact CD1-CE1 4.35Å; I57-Y75 HydrophobicContact CD1-CE2 4.15Å; I57-Y75 HydrophobicContact CD1-CG 3.6Å; L71-Y75 HydrophobicContact CB-CD2 4.39Å; L71-Y75 HydrophobicContact CD2-CD2 4.34Å; L71-Y75 HydrophobicContact CD2-CE2 4.02Å; L71-Y75 PolarHBondContact O-N 2.85Å; L71-Y75 VanDerWaalsContact O-N 3.08Å; S72-Y75 CarbonylContact O-C 3.58Å; S72-Y75 PolarHBondContact O-N 3.43Å; Y75-D77 PolarHBondContact O-N 2.86Å; Y75-S78 PolarHBondContact O-N 2.83Å; Y75-N109 PolarHBondContact O-ND2 3.12Å; Y75-K132 WeakPolarHBondContact OH-CE 3.49Å; Y75-L206 HydrophobicContact CE2-CD2 4Å
76P96.5Very high97.7Very high62 Ų6225.6 Ų25.640%0.40315%0.145SC..THydrogen-bonded Turntrans-56.7-29.7-172.624.4-34.6000112.9F45 L74F45-P76 WeakPolarHBondContact CE2-O 3.35Å; L74-P76 VanDerWaalsContact C-CD 3.44Å
77D96.1Very high97.4Very high117 Ų11727.5 Ų27.563%0.62616%0.156SC*.THydrogen-bonded Turntrans-95.3-2-177.7-49.1-54.4000114.1H49 Y75H49-D77 IonicContact CD2-OD1 3.88Å; H49-D77 IonicContact NE2-OD1 2.88Å; Y75-D77 PolarHBondContact O-N 2.86Å
78S97.8Very high97.2Very high19 Ų1932.6 Ų32.613%0.13318%0.178CC..SBendtrans-106.5138.2177.7-60.10000111.3E56 Y75 N109E56-S78 PolarHBondContact OE2-OG 3.12Å; Y75-S78 PolarHBondContact O-N 2.83Å; S78-N109 WeakPolarHBondContact O-CB 3.47Å; S78-N109 PolarHBondContact O-ND2 2.98Å
79L98.7Very high97Very high2 Ų232.6 Ų32.61%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-77.4127.3171.3-66.3-176.4000110.9V38 Y42 F45 F46 A53 I55 E56 I57V38-L79 HydrophobicContact CG1-CD1 3.92Å; Y42-L79 HydrophobicContact CD1-CD2 3.62Å; Y42-L79 HydrophobicContact CD2-CD1 4.09Å; Y42-L79 HydrophobicContact CD2-CD2 4.01Å; Y42-L79 HydrophobicContact CE1-CD2 4.03Å; Y42-L79 HydrophobicContact CE2-CD1 4.38Å; Y42-L79 HydrophobicContact CE2-CD2 4.43Å; Y42-L79 HydrophobicContact CG-CD1 4.48Å; Y42-L79 HydrophobicContact CG-CD2 3.61Å; F45-L79 HydrophobicContact CB-CD2 4.37Å; F45-L79 HydrophobicContact CD1-CD2 3.46Å; F45-L79 VanDerWaalsContact CD1-CD2 3.46Å; F45-L79 HydrophobicContact CD1-CG 4.26Å; F45-L79 HydrophobicContact CD2-CD2 3.98Å; F45-L79 HydrophobicContact CE1-CD1 4.49Å; F45-L79 HydrophobicContact CE1-CD2 3.57Å; F45-L79 HydrophobicContact CE1-CG 3.93Å; F45-L79 HydrophobicContact CE2-CD2 4.06Å; F45-L79 HydrophobicContact CG-CD2 3.67Å; F45-L79 HydrophobicContact CZ-CD2 3.87Å; F45-L79 HydrophobicContact CZ-CG 4.23Å; F46-L79 HydrophobicContact CE2-CD1 4.2Å; F46-L79 HydrophobicContact CZ-CD1 3.76Å; A53-L79 HydrophobicContact CB-CD1 4.36Å; I55-L79 HydrophobicContact CB-CB 4.46Å; I55-L79 HydrophobicContact CG1-CB 4.1Å; E56-L79 PolarHBondContact N-O 3.5Å; I57-L79 PolarHBondContact N-O 3.21Å
80I98.8Very high96.9Very high0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-119.6132.2-178.8-41.5-174.5000109.5Y42 I57 L68 L71 N109 I110 A111Y42-I80 VanDerWaalsContact OH-C 3.24Å; Y42-I80 PolarHBondContact OH-O 2.87Å; I57-I80 HydrophobicContact CB-CB 4.26Å; I57-I80 HydrophobicContact CB-CG1 4.05Å; I57-I80 HydrophobicContact CB-CG2 3.93Å; I57-I80 HydrophobicContact CD1-CD1 4.24Å; I57-I80 HydrophobicContact CD1-CG1 4.23Å; I57-I80 HydrophobicContact CG2-CG2 3.79Å; I57-I80 VanDerWaalsContact O-CA 3.32Å; I57-I80 WeakPolarHBondContact O-CA 3.34Å; L68-I80 HydrophobicContact CD2-CG2 3.65Å; L71-I80 HydrophobicContact CB-CD1 3.61Å; I80-N109 PolarHBondContact N-O 3.3Å; I80-I110 HydrophobicContact CB-CG2 3.96Å; I80-I110 HydrophobicContact CD1-CG2 4.07Å; I80-I110 HydrophobicContact CG1-CG2 4.23Å; I80-I110 CarbonylContact O-C 3.6Å; I80-I110 WeakPolarHBondContact O-CA 3.34Å; I80-A111 PolarHBondContact O-N 3.18Å
81V98.8Very high96.9Very high0 Ų033.4 Ų33.40%018%0.178CC..EExtended strand (participates in β ladder)trans-124.6137.7175.378.70000111.4Y42 I55 I57 L58 D59 A111 I113 F125Y42-V81 WeakPolarHBondContact OH-CB 3.34Å; I55-V81 HydrophobicContact CD1-CB 4.14Å; I55-V81 HydrophobicContact CD1-CG1 4.2Å; I55-V81 HydrophobicContact CG2-CB 4.14Å; I55-V81 HydrophobicContact CG2-CG1 3.73Å; I57-V81 PolarHBondContact O-N 3.38Å; L58-V81 WeakPolarHBondContact CA-O 3.13Å; L58-V81 HydrophobicContact CD1-CG1 3.47Å; L58-V81 VanDerWaalsContact CD1-CG1 3.47Å; D59-V81 PolarHBondContact N-O 3.46Å; V81-A111 WeakPolarHBondContact CA-O 3.31Å; V81-I113 HydrophobicContact CG2-CD1 4.25Å; V81-I113 HydrophobicContact CG2-CG1 4.05Å; V81-I113 HydrophobicContact CG2-CG2 4.19Å; V81-F125 HydrophobicContact CG1-CE1 4.41Å; V81-F125 HydrophobicContact CG1-CZ 3.89Å
82G98.7Very high96.8Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-94.913416400000111D59 A111 C112 I113D59-G82 WeakPolarHBondContact O-CA 3.24Å; G82-A111 PolarHBondContact N-O 3.03Å; G82-C112 CarbonylContact O-C 3.53Å; G82-C112 WeakPolarHBondContact O-CA 3.32Å; G82-I113 PolarHBondContact O-N 3.41Å
83M98.5Very high96.8Very high3 Ų334 Ų342%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-107.4125.2170.2-75-176.7169.400109.5L58 D59 G61 C62 I113 T115 A117 L121 Y124 F125L58-M83 HydrophobicContact CD1-CB 4.33Å; L58-M83 HydrophobicContact CD1-CE 4.36Å; L58-M83 HydrophobicContact CD1-CG 3.73Å; L58-M83 HydrophobicContact CD1-SD 3.83Å; L58-M83 HydrophobicContact CD2-SD 4.44Å; D59-M83 PolarHBondContact O-N 2.87Å; G61-M83 VanDerWaalsContact CA-O 3.24Å; G61-M83 WeakPolarHBondContact CA-O 3.39Å; G61-M83 PolarHBondContact N-O 3.38Å; C62-M83 PolarHBondContact N-O 3.38Å; M83-I113 HydrophobicContact CE-CD1 3.56Å; M83-I113 HydrophobicContact CG-CD1 3.77Å; M83-I113 HydrophobicContact CG-CG1 3.7Å; M83-I113 HydrophobicContact SD-CD1 4.46Å; M83-T115 HydrophobicContact CB-CG2 3.84Å; M83-T115 HydrophobicContact CE-CG2 4.05Å; M83-T115 HydrophobicContact CG-CG2 3.53Å; M83-T115 HydrophobicContact SD-CG2 3.68Å; M83-A117 HydrophobicContact SD-CB 4Å; M83-L121 HydrophobicContact CE-CD1 4Å; M83-L121 HydrophobicContact SD-CD1 3.77Å; M83-Y124 HydrophobicContact CE-CD1 4.43Å; M83-Y124 HydrophobicContact CE-CD2 3.46Å; M83-Y124 VanDerWaalsContact CE-CD2 3.46Å; M83-Y124 HydrophobicContact CE-CE2 4.04Å; M83-Y124 HydrophobicContact CE-CG 3.67Å; M83-F125 HydrophobicContact CE-CD2 4.42Å; M83-F125 HydrophobicContact CE-CE2 3.37Å; M83-F125 HydrophobicContact CE-CZ 3.64Å; M83-F125 HydrophobicContact SD-CE2 4.36Å
84E96.7Very high96.8Very high6 Ų635.4 Ų35.43%0.02818%0.18CC..EExtended strand (participates in β ladder)trans-137138.3177.9170.360.7-110.700110.8G63 R86 V89 I113 R114 T115G63-E84 WeakPolarHBondContact CA-OE2 3.37Å; G63-E84 PolarHBondContact N-OE2 2.87Å; E84-R86 HydrophobicContact CG-CB 4.34Å; E84-R86 VanDerWaalsContact OE1-CB 3.25Å; E84-R86 WeakPolarHBondContact OE1-CB 3.27Å; E84-R86 WeakPolarHBondContact OE1-CG 3.47Å; E84-R86 IonicContact OE1-CZ 3.73Å; E84-R86 PolarHBondContact OE1-N 3.27Å; E84-R86 IonicContact OE1-NE 3.22Å; E84-R86 PolarHBondContact OE1-NE 2.98Å; E84-R86 IonicContact OE1-NH2 2.59Å; E84-R86 IonicContact OE2-CZ 3.04Å; E84-R86 IonicContact OE2-NE 3.63Å; E84-R86 PolarHBondContact OE2-NE 3.13Å; E84-R86 IonicContact OE2-NH2 3.4Å; E84-R86 PolarHBondContact OE2-NH2 3.5Å; E84-V89 HydrophobicContact CG-CB 4Å; E84-V89 HydrophobicContact CG-CG1 3.98Å; E84-I113 PolarHBondContact N-O 3.34Å; E84-I113 VanDerWaalsContact N-O 3.08Å; E84-R114 CarbonylContact O-C 3.6Å; E84-R114 WeakPolarHBondContact O-CA 3.34Å; E84-T115 CarbonylContact C-O 3.43Å; E84-T115 PolarHBondContact O-N 3.15Å
85I95.3Very high96.8Very high27 Ų2735 Ų3514%0.13818%0.176CC..  trans-87.5-29.9-177.1-164.2172.3000112.2P21 H25 C87 R114 T115 N116P21-I85 HydrophobicContact CB-CD1 4.47Å; H25-I85 WeakPolarHBondContact NE2-CD1 3.37Å; I85-C87 PolarHBondContact O-N 2.93Å; I85-R114 PolarHBondContact O-NE 3.49Å; I85-T115 VanDerWaalsContact CA-O 3.31Å; I85-T115 WeakPolarHBondContact CA-O 3.33Å; I85-T115 PolarHBondContact N-O 2.95Å; I85-N116 HydrophobicContact CD1-CB 4.08Å; I85-N116 HydrophobicContact CG1-CB 4.45Å
86R93.5Very high96.8Very high34 Ų3434.4 Ų34.413%0.12817%0.173CC..  trans-79.6114.5-176.1-65.5172.1-65.2176.73.3111R16 A17 E84 K88 V89 S90R16-R86 WeakPolarHBondContact O-CD 3.41Å; A17-R86 PolarHBondContact O-NH1 2.74Å; E84-R86 HydrophobicContact CG-CB 4.34Å; E84-R86 VanDerWaalsContact OE1-CB 3.25Å; E84-R86 WeakPolarHBondContact OE1-CB 3.27Å; E84-R86 WeakPolarHBondContact OE1-CG 3.47Å; E84-R86 IonicContact OE1-CZ 3.73Å; E84-R86 PolarHBondContact OE1-N 3.27Å; E84-R86 IonicContact OE1-NE 3.22Å; E84-R86 PolarHBondContact OE1-NE 2.98Å; E84-R86 IonicContact OE1-NH2 2.59Å; E84-R86 IonicContact OE2-CZ 3.04Å; E84-R86 IonicContact OE2-NE 3.63Å; E84-R86 PolarHBondContact OE2-NE 3.13Å; E84-R86 IonicContact OE2-NH2 3.4Å; E84-R86 PolarHBondContact OE2-NH2 3.5Å; R86-K88 PolarHBondContact O-N 3Å; R86-V89 HydrophobicContact CB-CB 3.95Å; R86-V89 HydrophobicContact CB-CG2 3.83Å; R86-V89 PolarHBondContact O-N 2.85Å; R86-S90 PolarHBondContact O-N 2.64Å; R86-S90 PolarHBondContact O-OG 2.89Å
87C92.5Very high96.9Very high50 Ų5031.7 Ų31.734%0.33816%0.155SC..Hα-helixtrans-50.4-55.2-176.1-168.40000113.9I85 V89 S90 D91I85-C87 PolarHBondContact O-N 2.93Å; C87-V89 PolarHBondContact O-N 3.39Å; C87-S90 PolarHBondContact O-N 3.29Å; C87-S90 PolarHBondContact O-OG 3.05Å; C87-D91 WeakPolarHBondContact O-CB 3.26Å; C87-D91 PolarHBondContact O-N 3.19Å
88K94.2Very high97Very high107 Ų10728.7 Ų28.747%0.46515%0.147SC..Hα-helixtrans-62.8-32.8-178.4-63.4-170.4176.9-173.20112.7Y13 Q15 R86 Y92Y13-K88 HydrophobicContact CD1-CB 4.48Å; Y13-K88 WeakPolarHBondContact CD1-O 3.32Å; Y13-K88 VanDerWaalsContact O-CB 3.3Å; Y13-K88 WeakPolarHBondContact O-CB 3.28Å; Q15-K88 HydrophobicContact CB-CB 4.37Å; Q15-K88 HydrophobicContact CB-CD 4.47Å; R86-K88 PolarHBondContact O-N 3Å; K88-Y92 WeakPolarHBondContact O-CB 3.32Å; K88-Y92 PolarHBondContact O-N 3.45Å; K88-Y92 VanDerWaalsContact O-N 3.09Å
89V95.2Very high96.9Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-75.1-45-179-177.20000110.1Q15 G63 Y64 E84 R86 C87 D91 Y92 V93Q15-V89 HydrophobicContact CB-CG2 4.48Å; G63-V89 WeakPolarHBondContact O-CG1 3.46Å; Y64-V89 HydrophobicContact CD1-CG1 4.46Å; E84-V89 HydrophobicContact CG-CB 4Å; E84-V89 HydrophobicContact CG-CG1 3.98Å; R86-V89 HydrophobicContact CB-CB 3.95Å; R86-V89 HydrophobicContact CB-CG2 3.83Å; R86-V89 PolarHBondContact O-N 2.85Å; C87-V89 PolarHBondContact O-N 3.39Å; V89-D91 VanDerWaalsContact C-N 3.32Å; V89-D91 PolarHBondContact O-N 3.22Å; V89-Y92 WeakPolarHBondContact O-CB 3.4Å; V89-Y92 PolarHBondContact O-N 2.97Å; V89-V93 WeakPolarHBondContact O-CG2 3.49Å; V89-V93 PolarHBondContact O-N 3.44Å; V89-V93 VanDerWaalsContact O-N 3.12Å
90S96.3Very high96.9Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-61.3-40.1173.956.10000112.2R86 C87 V93 K94 R114R86-S90 PolarHBondContact O-N 2.64Å; R86-S90 PolarHBondContact O-OG 2.89Å; C87-S90 PolarHBondContact O-N 3.29Å; C87-S90 PolarHBondContact O-OG 3.05Å; S90-V93 PolarHBondContact O-N 2.87Å; S90-K94 WeakPolarHBondContact O-CG 3.5Å; S90-K94 PolarHBondContact O-N 3.03Å; S90-R114 WeakPolarHBondContact OG-CB 3.36Å; S90-R114 WeakPolarHBondContact OG-CG 3.46Å
91D96.5Very high96.8Very high64 Ų6431.1 Ų31.134%0.34215%0.154SC..Hα-helixtrans-65.4-41179.1-66.1-15.5000111.5Y13 C87 V89 V93 K94 Q95Y13-D91 HydrophobicContact CD1-CB 4.49Å; Y13-D91 HydrophobicContact CE1-CB 4.18Å; C87-D91 WeakPolarHBondContact O-CB 3.26Å; C87-D91 PolarHBondContact O-N 3.19Å; V89-D91 VanDerWaalsContact C-N 3.32Å; V89-D91 PolarHBondContact O-N 3.22Å; D91-V93 VanDerWaalsContact C-N 3.33Å; D91-V93 PolarHBondContact O-N 3.19Å; D91-K94 PolarHBondContact O-N 2.99Å; D91-Q95 PolarHBondContact O-N 3.48Å
92Y97.6Very high96.6Very high13 Ų1335.5 Ų35.55%0.05118%0.182CC..Hα-helixtrans-55.7-48.1171.5172.4-89.8000111.7P8 K10 Y13 Y64 K88 V89 Q95 R96P8-Y92 HydrophobicContact CB-CD2 3.83Å; P8-Y92 HydrophobicContact CB-CE2 3.82Å; P8-Y92 HydrophobicContact CG-CD2 3.92Å; P8-Y92 HydrophobicContact CG-CE2 3.72Å; P8-Y92 VanDerWaalsContact O-CE2 3.29Å; P8-Y92 WeakPolarHBondContact O-CE2 3.43Å; K10-Y92 HydrophobicContact CB-CE2 4.22Å; K10-Y92 WeakPolarHBondContact CE-OH 3.4Å; K10-Y92 HydrophobicContact CG-CD2 4.24Å; K10-Y92 HydrophobicContact CG-CE1 4.11Å; K10-Y92 HydrophobicContact CG-CE2 3.46Å; K10-Y92 VanDerWaalsContact CG-CE2 3.46Å; K10-Y92 WeakPolarHBondContact CG-OH 3.16Å; Y13-Y92 AromaticContact CD2-CD2 3.65Å; Y13-Y92 HydrophobicContact CD2-CD2 3.65Å; Y13-Y92 HydrophobicContact CD2-CG 4.38Å; Y13-Y92 HydrophobicContact CE2-CD2 4.22Å; Y13-Y92 HydrophobicContact CG-CD2 4.04Å; Y13-Y92 HydrophobicContact CG-CG 4.36Å; Y64-Y92 AromaticContact CD1-CD1 3.5Å; Y64-Y92 HydrophobicContact CD1-CD1 3.5Å; Y64-Y92 HydrophobicContact CD1-CD2 4.48Å; Y64-Y92 AromaticContact CD1-CE1 3.77Å; Y64-Y92 HydrophobicContact CD1-CE1 3.77Å; Y64-Y92 AromaticContact CD1-CG 3.9Å; Y64-Y92 HydrophobicContact CD1-CG 3.9Å; Y64-Y92 HydrophobicContact CE1-CD1 4.44Å; Y64-Y92 HydrophobicContact CE1-CG 4.43Å; Y64-Y92 HydrophobicContact CG-CD1 4.29Å; Y64-Y92 HydrophobicContact CG-CE1 4.31Å; K88-Y92 WeakPolarHBondContact O-CB 3.32Å; K88-Y92 PolarHBondContact O-N 3.45Å; K88-Y92 VanDerWaalsContact O-N 3.09Å; V89-Y92 WeakPolarHBondContact O-CB 3.4Å; V89-Y92 PolarHBondContact O-N 2.97Å; Y92-Q95 PolarHBondContact O-N 2.98Å; Y92-R96 HydrophobicContact CE1-CB 4.32Å; Y92-R96 VanDerWaalsContact O-CB 3.29Å; Y92-R96 WeakPolarHBondContact O-CB 3.42Å; Y92-R96 PolarHBondContact O-N 2.89Å
93V98.1Very high96.4Very high1 Ų141.6 Ų41.61%0.00620%0.204CC..Hα-helixtrans-66.1-44-177.7179.80000110.9G63 Y64 L68 V89 S90 D91 Q95 R96 I97 C112G63-V93 WeakPolarHBondContact O-CG2 3.3Å; Y64-V93 VanDerWaalsContact C-CG2 3.44Å; L68-V93 HydrophobicContact CD1-CG1 3.96Å; V89-V93 WeakPolarHBondContact O-CG2 3.49Å; V89-V93 PolarHBondContact O-N 3.44Å; V89-V93 VanDerWaalsContact O-N 3.12Å; S90-V93 PolarHBondContact O-N 2.87Å; D91-V93 VanDerWaalsContact C-N 3.33Å; D91-V93 PolarHBondContact O-N 3.19Å; V93-Q95 VanDerWaalsContact C-N 3.34Å; V93-Q95 PolarHBondContact O-N 2.88Å; V93-R96 WeakPolarHBondContact O-CB 3.32Å; V93-R96 PolarHBondContact O-N 3.24Å; V93-I97 HydrophobicContact CG1-CD1 3.73Å; V93-I97 HydrophobicContact CG1-CG1 4.25Å; V93-I97 WeakPolarHBondContact O-CB 3.43Å; V93-I97 WeakPolarHBondContact O-CG1 3.28Å; V93-I97 PolarHBondContact O-N 2.95Å; V93-C112 HydrophobicContact CB-CB 3.95Å; V93-C112 HydrophobicContact CG1-CB 3.45Å; V93-C112 VanDerWaalsContact CG1-CB 3.45Å
94K98.1Very high96.2Very high93 Ų9345.5 Ų45.540%0.40423%0.225SC..Hα-helixtrans-56.3-48.1175.2-71.8172.9-179.7-1790111.4S90 D91 I97 A98 C112S90-K94 WeakPolarHBondContact O-CG 3.5Å; S90-K94 PolarHBondContact O-N 3.03Å; D91-K94 PolarHBondContact O-N 2.99Å; K94-I97 PolarHBondContact O-N 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.38Å; K94-A98 PolarHBondContact O-N 3.3Å; K94-C112 WeakPolarHBondContact CE-O 3.49Å; K94-C112 HydrophobicContact CG-CB 4.25Å
95Q97.6Very high96.1Very high81 Ų8149.6 Ų49.638%0.37925%0.245SC..Hα-helixtrans-65.7-40.1177.6-170.5177.320.300112P8 Y13 D91 Y92 V93 A98 V99P8-Q95 HydrophobicContact CB-CB 4.39Å; P8-Q95 HydrophobicContact CB-CG 4.18Å; P8-Q95 HydrophobicContact CG-CB 4.1Å; P8-Q95 HydrophobicContact CG-CG 4.09Å; Y13-Q95 PolarHBondContact OH-OE1 3.35Å; D91-Q95 PolarHBondContact O-N 3.48Å; Y92-Q95 PolarHBondContact O-N 2.98Å; V93-Q95 VanDerWaalsContact C-N 3.34Å; V93-Q95 PolarHBondContact O-N 2.88Å; Q95-A98 PolarHBondContact O-N 2.93Å; Q95-V99 WeakPolarHBondContact O-CG2 3.49Å; Q95-V99 PolarHBondContact O-N 3.16Å
96R97.9Very high96.1Very high43 Ų4350.3 Ų50.316%0.16225%0.25CC..Hα-helixtrans-59.4-48.4176.8-179.9-179.2179.2-169.3-2.6110.9L7 P8 Y64 Y92 V93 V99 L100L7-R96 HydrophobicContact CD2-CG 4.23Å; P8-R96 HydrophobicContact CG-CB 3.93Å; Y64-R96 PolarHBondContact O-NH1 2.74Å; Y92-R96 HydrophobicContact CE1-CB 4.32Å; Y92-R96 VanDerWaalsContact O-CB 3.29Å; Y92-R96 WeakPolarHBondContact O-CB 3.42Å; Y92-R96 PolarHBondContact O-N 2.89Å; V93-R96 WeakPolarHBondContact O-CB 3.32Å; V93-R96 PolarHBondContact O-N 3.24Å; R96-V99 PolarHBondContact O-N 3.28Å; R96-L100 HydrophobicContact CG-CD1 4.04Å; R96-L100 WeakPolarHBondContact O-CB 3.39Å; R96-L100 VanDerWaalsContact O-CG 3.27Å; R96-L100 WeakPolarHBondContact O-CG 3.48Å; R96-L100 PolarHBondContact O-N 2.95Å
97I98.2Very high96.4Very high6 Ų650.9 Ų50.93%0.03125%0.253CS..Hα-helixtrans-62.8-44.9178.4-69.8173000110.6L68 V93 K94 V99 L100 R101 I110 C112L68-I97 HydrophobicContact CD1-CD1 4.29Å; V93-I97 HydrophobicContact CG1-CD1 3.73Å; V93-I97 HydrophobicContact CG1-CG1 4.25Å; V93-I97 WeakPolarHBondContact O-CB 3.43Å; V93-I97 WeakPolarHBondContact O-CG1 3.28Å; V93-I97 PolarHBondContact O-N 2.95Å; K94-I97 PolarHBondContact O-N 3.28Å; I97-V99 VanDerWaalsContact C-N 3.34Å; I97-V99 PolarHBondContact O-N 3.42Å; I97-L100 PolarHBondContact O-N 2.83Å; I97-L100 VanDerWaalsContact O-N 3.15Å; I97-R101 HydrophobicContact CG2-CG 4.29Å; I97-R101 WeakPolarHBondContact O-CG 3.49Å; I97-R101 PolarHBondContact O-N 3.45Å; I97-I110 HydrophobicContact CD1-CD1 4.18Å; I97-I110 HydrophobicContact CD1-CG1 4.09Å; I97-I110 HydrophobicContact CG1-CD1 3.91Å; I97-I110 HydrophobicContact CG1-CG1 4.11Å; I97-I110 HydrophobicContact CG2-CG1 4.15Å; I97-I110 WeakPolarHBondContact CG2-O 3.47Å; I97-C112 HydrophobicContact CD1-CB 4.28Å
98A97Very high96.6Very high54 Ų5448.9 Ų48.945%0.44624%0.239SC..Hα-helixtrans-56.1-47.8177.900000111.8K94 Q95 R101 T102K94-A98 WeakPolarHBondContact O-CB 3.38Å; K94-A98 PolarHBondContact O-N 3.3Å; Q95-A98 PolarHBondContact O-N 2.93Å; A98-R101 PolarHBondContact O-N 2.93Å; A98-T102 WeakPolarHBondContact O-CG2 3.48Å; A98-T102 PolarHBondContact O-N 2.85Å
99V97.4Very high96.8Very high7 Ų743.9 Ų43.94%0.04222%0.217CC..Hα-helixtrans-66.3-37.3177175.70000112.2V5 L7 Q95 R96 I97 T102 R103V5-V99 HydrophobicContact CG1-CG1 4.47Å; V5-V99 HydrophobicContact CG1-CG2 3.7Å; V5-V99 VanDerWaalsContact O-CG1 3.29Å; V5-V99 WeakPolarHBondContact O-CG1 3.34Å; L7-V99 HydrophobicContact CD2-CB 4.04Å; L7-V99 HydrophobicContact CD2-CG1 3.76Å; L7-V99 HydrophobicContact CG-CG1 4.2Å; Q95-V99 WeakPolarHBondContact O-CG2 3.49Å; Q95-V99 PolarHBondContact O-N 3.16Å; R96-V99 PolarHBondContact O-N 3.28Å; I97-V99 VanDerWaalsContact C-N 3.34Å; I97-V99 PolarHBondContact O-N 3.42Å; V99-T102 PolarHBondContact O-N 3.43Å; V99-T102 PolarHBondContact O-OG1 2.87Å; V99-R103 WeakPolarHBondContact O-CG 3.47Å; V99-R103 PolarHBondContact O-N 2.82Å
100L97.7Very high97Very high17 Ų1743.9 Ų43.99%0.08922%0.217CC..Hα-helixtrans-64.8-40.9176.7-75.3173.7000111.8L7 V69 R96 I97 T102 R103 N104 Y107L7-L100 HydrophobicContact CD2-CD2 4.31Å; L7-L100 HydrophobicContact CD2-CG 4.24Å; V69-L100 HydrophobicContact CG1-CD1 4.1Å; V69-L100 HydrophobicContact CG2-CD1 3.54Å; R96-L100 HydrophobicContact CG-CD1 4.04Å; R96-L100 WeakPolarHBondContact O-CB 3.39Å; R96-L100 VanDerWaalsContact O-CG 3.27Å; R96-L100 WeakPolarHBondContact O-CG 3.48Å; R96-L100 PolarHBondContact O-N 2.95Å; I97-L100 PolarHBondContact O-N 2.83Å; I97-L100 VanDerWaalsContact O-N 3.15Å; L100-T102 VanDerWaalsContact C-N 3.26Å; L100-T102 PolarHBondContact O-N 3.09Å; L100-R103 PolarHBondContact O-N 3.05Å; L100-N104 PolarHBondContact O-N 2.76Å; L100-Y107 HydrophobicContact CB-CD2 3.6Å; L100-Y107 HydrophobicContact CB-CE2 4.16Å; L100-Y107 HydrophobicContact CB-CG 3.84Å; L100-Y107 HydrophobicContact CD1-CD1 4.38Å; L100-Y107 HydrophobicContact CD1-CG 4.41Å; L100-Y107 HydrophobicContact CD2-CD2 4.31Å; L100-Y107 HydrophobicContact CD2-CE2 3.97Å; L100-Y107 HydrophobicContact CG-CD2 4.37Å; L100-Y107 HydrophobicContact CG-CE2 4.48Å
101R96.3Very high97.1Very high47 Ų4744.1 Ų44.118%0.17722%0.22CC..Hα-helixtrans-64.8-23.5177-73172.8176.3-174.4-6.6114.2L41 I97 A98 R103 Q105 Y107 S108 I110L41-R101 PolarHBondContact O-NH1 3.34Å; L41-R101 PolarHBondContact O-NH2 3.31Å; I97-R101 HydrophobicContact CG2-CG 4.29Å; I97-R101 WeakPolarHBondContact O-CG 3.49Å; I97-R101 PolarHBondContact O-N 3.45Å; A98-R101 PolarHBondContact O-N 2.93Å; R101-R103 VanDerWaalsContact C-N 3.34Å; R101-Q105 PolarHBondContact O-NE2 3.11Å; R101-Y107 VanDerWaalsContact CG-O 3.32Å; R101-Y107 WeakPolarHBondContact CG-O 3.38Å; R101-Y107 PolarHBondContact NE-O 2.9Å; R101-Y107 VanDerWaalsContact NE-O 3.07Å; R101-S108 PolarHBondContact NH2-O 3.23Å; R101-I110 PolarHBondContact NH2-O 3.07Å
102T95.3Very high97.2Very high93 Ų9341.4 Ų41.457%0.57121%0.205SC*.Hα-helixtrans-77.5-24.3171.972.60000112.1A98 V99 L100A98-T102 WeakPolarHBondContact O-CG2 3.48Å; A98-T102 PolarHBondContact O-N 2.85Å; V99-T102 PolarHBondContact O-N 3.43Å; V99-T102 PolarHBondContact O-OG1 2.87Å; L100-T102 VanDerWaalsContact C-N 3.26Å; L100-T102 PolarHBondContact O-N 3.09Å
103R94.3Very high97.2Very high127 Ų12741.5 Ų41.548%0.47921%0.206SC..Hα-helixtrans-91.9-37.1-177.8-63.6174.3-175.3-161.4-2.7112.5V5 V99 L100 R101V5-R103 PolarHBondContact O-NH2 3.08Å; V99-R103 WeakPolarHBondContact O-CG 3.47Å; V99-R103 PolarHBondContact O-N 2.82Å; L100-R103 PolarHBondContact O-N 3.05Å; R101-R103 VanDerWaalsContact C-N 3.34Å
104N94.5Very high97.1Very high85 Ų8544.6 Ų44.646%0.45522%0.218SC..  trans-152.5131.8-178.3-168.4-26.6000110.4L100 V106 Y107L100-N104 PolarHBondContact O-N 2.76Å; N104-V106 HydrophobicContact CB-CG1 4.14Å; N104-V106 PolarHBondContact O-N 3.2Å; N104-V106 WeakPolarHBondContact OD1-CG1 3.26Å; N104-V106 PolarHBondContact OD1-N 3.29Å; N104-Y107 HydrophobicContact CB-CD2 4.13Å; N104-Y107 HydrophobicContact CB-CE2 4.09Å
105Q93.9Very high97.1Very high93 Ų9340.3 Ų40.344%0.43520%0.2SC..G310 helixtrans-69.8-13.8179.6-67.1-49.2-44.500113.9K44 R101 Y107 S108K44-Q105 VanDerWaalsContact NZ-NE2 3.1Å; R101-Q105 PolarHBondContact O-NE2 3.11Å; Q105-Y107 PolarHBondContact O-N 2.87Å; Q105-S108 WeakPolarHBondContact O-CB 3.29Å; Q105-S108 PolarHBondContact O-N 2.79Å; Q105-S108 PolarHBondContact O-OG 3.17Å; Q105-S108 VanDerWaalsContact O-OG 3.11Å; Q105-S108 PolarHBondContact OE1-OG 3.12Å
106V96.7Very high97Very high41 Ų4136.7 Ų36.725%0.24818%0.183CC..G310 helixtrans-55.2-29.2176.374.40000112.6S72 P73 N104 S108 N109S72-V106 PolarHBondContact OG-O 3.17Å; P73-V106 HydrophobicContact CB-CG2 3.85Å; N104-V106 HydrophobicContact CB-CG1 4.14Å; N104-V106 PolarHBondContact O-N 3.2Å; N104-V106 WeakPolarHBondContact OD1-CG1 3.26Å; N104-V106 PolarHBondContact OD1-N 3.29Å; V106-S108 VanDerWaalsContact C-N 3.3Å; V106-S108 PolarHBondContact O-N 2.92Å; V106-N109 PolarHBondContact O-OD1 2.94Å
107Y98.2Very high96.9Very high47 Ų4735 Ų3518%0.18418%0.178CC..G310 helixtrans-86.18.7179.6-53.9-68.1000114.6V69 S72 L100 R101 N104 Q105 N109 I110V69-Y107 HydrophobicContact CG1-CE1 3.81Å; S72-Y107 WeakPolarHBondContact OG-CA 3.31Å; S72-Y107 VanDerWaalsContact OG-CD1 3.29Å; S72-Y107 WeakPolarHBondContact OG-CD1 3.35Å; L100-Y107 HydrophobicContact CB-CD2 3.6Å; L100-Y107 HydrophobicContact CB-CE2 4.16Å; L100-Y107 HydrophobicContact CB-CG 3.84Å; L100-Y107 HydrophobicContact CD1-CD1 4.38Å; L100-Y107 HydrophobicContact CD1-CG 4.41Å; L100-Y107 HydrophobicContact CD2-CD2 4.31Å; L100-Y107 HydrophobicContact CD2-CE2 3.97Å; L100-Y107 HydrophobicContact CG-CD2 4.37Å; L100-Y107 HydrophobicContact CG-CE2 4.48Å; R101-Y107 VanDerWaalsContact CG-O 3.32Å; R101-Y107 WeakPolarHBondContact CG-O 3.38Å; R101-Y107 PolarHBondContact NE-O 2.9Å; R101-Y107 VanDerWaalsContact NE-O 3.07Å; N104-Y107 HydrophobicContact CB-CD2 4.13Å; N104-Y107 HydrophobicContact CB-CE2 4.09Å; Q105-Y107 PolarHBondContact O-N 2.87Å; Y107-N109 PolarHBondContact O-N 3.44Å; Y107-I110 HydrophobicContact CD1-CD1 4.03Å; Y107-I110 WeakPolarHBondContact O-CG1 3.34Å
108S97.9Very high96.8Very high7 Ų736.1 Ų36.15%0.04918%0.183CC..G310 helixtrans-71.7-18.9177.8-68.40000112.7Y42 R101 Q105 V106Y42-S108 WeakPolarHBondContact CD1-O 3.3Å; R101-S108 PolarHBondContact NH2-O 3.23Å; Q105-S108 WeakPolarHBondContact O-CB 3.29Å; Q105-S108 PolarHBondContact O-N 2.79Å; Q105-S108 PolarHBondContact O-OG 3.17Å; Q105-S108 VanDerWaalsContact O-OG 3.11Å; Q105-S108 PolarHBondContact OE1-OG 3.12Å; V106-S108 VanDerWaalsContact C-N 3.3Å; V106-S108 PolarHBondContact O-N 2.92Å
109N98.5Very high96.7Very high2 Ų237.7 Ų37.71%0.01118%0.18CC..G310 helixtrans-87.4-2.1179.370.8-24.5000115.1Y42 F45 S72 Y75 S78 I80 V106 Y107Y42-N109 VanDerWaalsContact CE1-O 3.23Å; Y42-N109 WeakPolarHBondContact CE1-O 3.26Å; F45-N109 HydrophobicContact CD2-CB 3.74Å; F45-N109 HydrophobicContact CE2-CB 3.93Å; S72-N109 PolarHBondContact O-ND2 3.18Å; S72-N109 PolarHBondContact OG-OD1 2.96Å; Y75-N109 PolarHBondContact O-ND2 3.12Å; S78-N109 WeakPolarHBondContact O-CB 3.47Å; S78-N109 PolarHBondContact O-ND2 2.98Å; I80-N109 PolarHBondContact N-O 3.3Å; V106-N109 PolarHBondContact O-OD1 2.94Å; Y107-N109 PolarHBondContact O-N 3.44Å
110I98.8Very high96.6Very high0 Ų037.9 Ų37.90%018%0.181CC..EExtended strand (participates in β ladder)trans-114.5139.6-179.165.1172.6000112.6L68 V69 S72 I80 I97 R101 Y107L68-I110 HydrophobicContact CB-CD1 4.2Å; V69-I110 HydrophobicContact CG2-CD1 4.09Å; S72-I110 VanDerWaalsContact CB-CG2 3.5Å; I80-I110 HydrophobicContact CB-CG2 3.96Å; I80-I110 HydrophobicContact CD1-CG2 4.07Å; I80-I110 HydrophobicContact CG1-CG2 4.23Å; I80-I110 CarbonylContact O-C 3.6Å; I80-I110 WeakPolarHBondContact O-CA 3.34Å; I97-I110 HydrophobicContact CD1-CD1 4.18Å; I97-I110 HydrophobicContact CD1-CG1 4.09Å; I97-I110 HydrophobicContact CG1-CD1 3.91Å; I97-I110 HydrophobicContact CG1-CG1 4.11Å; I97-I110 HydrophobicContact CG2-CG1 4.15Å; I97-I110 WeakPolarHBondContact CG2-O 3.47Å; R101-I110 PolarHBondContact NH2-O 3.07Å; Y107-I110 HydrophobicContact CD1-CD1 4.03Å; Y107-I110 WeakPolarHBondContact O-CG1 3.34Å
111A98.6Very high96.6Very high6 Ų637 Ų375%0.0518%0.177CC..EExtended strand (participates in β ladder)trans-140.5170.9174.200000111.8L41 Y42 I80 V81 G82L41-A111 HydrophobicContact CB-CB 3.9Å; L41-A111 HydrophobicContact CD1-CB 4.41Å; Y42-A111 HydrophobicContact CD1-CB 4.24Å; Y42-A111 HydrophobicContact CE1-CB 3.52Å; Y42-A111 HydrophobicContact CE2-CB 4.22Å; Y42-A111 VanDerWaalsContact CZ-CB 3.5Å; I80-A111 PolarHBondContact O-N 3.18Å; V81-A111 WeakPolarHBondContact CA-O 3.31Å; G82-A111 PolarHBondContact N-O 3.03Å
112C98.5Very high96.6Very high6 Ų636.6 Ų36.64%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-136.7132.8174.7174.60000110.3G82 V93 K94 I97G82-C112 CarbonylContact O-C 3.53Å; G82-C112 WeakPolarHBondContact O-CA 3.32Å; V93-C112 HydrophobicContact CB-CB 3.95Å; V93-C112 HydrophobicContact CG1-CB 3.45Å; V93-C112 VanDerWaalsContact CG1-CB 3.45Å; K94-C112 WeakPolarHBondContact CE-O 3.49Å; K94-C112 HydrophobicContact CG-CB 4.25Å; I97-C112 HydrophobicContact CD1-CB 4.28Å
113I97.7Very high96.8Very high15 Ų1535 Ų358%0.07717%0.166CC..EExtended strand (participates in β ladder)trans-118.2140.117661.4178000110.1F36 L41 V81 G82 M83 E84 T115 Y124F36-I113 HydrophobicContact CZ-CD1 4.4Å; L41-I113 HydrophobicContact CD1-CG2 3.65Å; L41-I113 HydrophobicContact CD2-CG2 4.36Å; V81-I113 HydrophobicContact CG2-CD1 4.25Å; V81-I113 HydrophobicContact CG2-CG1 4.05Å; V81-I113 HydrophobicContact CG2-CG2 4.19Å; G82-I113 PolarHBondContact O-N 3.41Å; M83-I113 HydrophobicContact CE-CD1 3.56Å; M83-I113 HydrophobicContact CG-CD1 3.77Å; M83-I113 HydrophobicContact CG-CG1 3.7Å; M83-I113 HydrophobicContact SD-CD1 4.46Å; E84-I113 PolarHBondContact N-O 3.34Å; E84-I113 VanDerWaalsContact N-O 3.08Å; I113-T115 HydrophobicContact CD1-CG2 3.99Å; I113-T115 HydrophobicContact CG1-CG2 3.98Å; I113-T115 PolarHBondContact O-N 3.16Å; I113-Y124 HydrophobicContact CD1-CD1 3.95Å; I113-Y124 HydrophobicContact CD1-CE1 3.76Å; I113-Y124 HydrophobicContact CD1-CG 4.4Å
114R97Very high96.9Very high67 Ų6729.3 Ų29.325%0.25315%0.145SC..EExtended strand (participates in β ladder)trans-86.3108.1173.9-174.1-170.5166-122.7-7.9108V26 L27 E84 I85 S90V26-R114 PolarHBondContact O-NH1 2.95Å; L27-R114 HydrophobicContact CD2-CG 4.23Å; E84-R114 CarbonylContact O-C 3.6Å; E84-R114 WeakPolarHBondContact O-CA 3.34Å; I85-R114 PolarHBondContact O-NE 3.49Å; S90-R114 WeakPolarHBondContact OG-CB 3.36Å; S90-R114 WeakPolarHBondContact OG-CG 3.46Å
115T96.7Very high97.1Very high2 Ų225.2 Ų25.21%0.01212%0.123CC..  trans-157.7177.6-176.7-163.20000112M83 E84 I85 I113 V120 Y124M83-T115 HydrophobicContact CB-CG2 3.84Å; M83-T115 HydrophobicContact CE-CG2 4.05Å; M83-T115 HydrophobicContact CG-CG2 3.53Å; M83-T115 HydrophobicContact SD-CG2 3.68Å; E84-T115 CarbonylContact C-O 3.43Å; E84-T115 PolarHBondContact O-N 3.15Å; I85-T115 VanDerWaalsContact CA-O 3.31Å; I85-T115 WeakPolarHBondContact CA-O 3.33Å; I85-T115 PolarHBondContact N-O 2.95Å; I113-T115 HydrophobicContact CD1-CG2 3.99Å; I113-T115 HydrophobicContact CG1-CG2 3.98Å; I113-T115 PolarHBondContact O-N 3.16Å; T115-V120 WeakPolarHBondContact OG1-CG2 3.28Å; T115-Y124 WeakPolarHBondContact CB-OH 3.33Å; T115-Y124 HydrophobicContact CG2-CE2 4.01Å; T115-Y124 WeakPolarHBondContact OG1-CE2 3.15Å; T115-Y124 PolarHBondContact OG1-OH 3.34Å
116N96.3Very high97.4Very high6 Ų623.8 Ų23.83%0.03212%0.115CC..  trans-118.194.7176.2-173.5-9.8000110.5P21 L27 I85 M118 K119 V120P21-N116 PolarHBondContact O-ND2 3.4Å; L27-N116 HydrophobicContact CD1-CB 3.58Å; I85-N116 HydrophobicContact CD1-CB 4.08Å; I85-N116 HydrophobicContact CG1-CB 4.45Å; N116-M118 PolarHBondContact O-N 2.81Å; N116-M118 VanDerWaalsContact O-N 3.08Å; N116-M118 WeakPolarHBondContact OD1-CB 3.35Å; N116-M118 PolarHBondContact OD1-N 3.19Å; N116-K119 HydrophobicContact CB-CB 4.39Å; N116-K119 WeakPolarHBondContact ND2-CD 3.47Å; N116-K119 PolarHBondContact O-N 3.18Å; N116-V120 VanDerWaalsContact O-CG2 3.24Å; N116-V120 WeakPolarHBondContact O-CG2 3.27Å; N116-V120 PolarHBondContact O-N 2.83Å; N116-V120 VanDerWaalsContact O-N 3.1Å
117A95.8Very high97.4Very high7 Ų729 Ų296%0.05814%0.135CC..Hα-helixtrans-58.6-21.4178.500000113.6V60 M83 K119 L121V60-A117 HydrophobicContact CG1-CB 3.63Å; M83-A117 HydrophobicContact SD-CB 4Å; A117-K119 VanDerWaalsContact C-N 3.29Å; A117-K119 PolarHBondContact O-N 2.87Å; A117-L121 HydrophobicContact CB-CD1 4.38Å; A117-L121 VanDerWaalsContact O-CB 3.27Å; A117-L121 WeakPolarHBondContact O-CB 3.39Å
118M95.4Very high97.4Very high29 Ų2928.2 Ų28.214%0.14314%0.14CC..Hα-helixtrans-76.3-15.5175.6-63.6178.263.500113.9P21 N116 I151 L156P21-M118 HydrophobicContact CB-CE 4.29Å; P21-M118 HydrophobicContact CB-SD 3.34Å; P21-M118 WeakPolarHBondContact CB-SD 3.42Å; P21-M118 HydrophobicContact CG-CE 4.07Å; P21-M118 HydrophobicContact CG-SD 3.52Å; P21-M118 VanDerWaalsContact CG-SD 3.52Å; N116-M118 PolarHBondContact O-N 2.81Å; N116-M118 VanDerWaalsContact O-N 3.08Å; N116-M118 WeakPolarHBondContact OD1-CB 3.35Å; N116-M118 PolarHBondContact OD1-N 3.19Å; M118-I151 HydrophobicContact CG-CD1 3.3Å; M118-I151 HydrophobicContact SD-CD1 4.17Å; M118-L156 HydrophobicContact CB-CD1 4.39Å; M118-L156 HydrophobicContact CB-CD2 4.48Å; M118-L156 HydrophobicContact CE-CD1 4.11Å; M118-L156 HydrophobicContact CG-CD1 3.97Å
119K94.4Very high97.5Very high88 Ų8829.1 Ų29.138%0.38314%0.144SC..Hα-helixtrans-114.3-33.8-174.3-70.4-172.6176.9-179.80113.1P21 M22 S23 N116 A117P21-K119 VanDerWaalsContact O-CE 3.24Å; P21-K119 WeakPolarHBondContact O-CE 3.2Å; M22-K119 PolarHBondContact O-NZ 3.12Å; M22-K119 VanDerWaalsContact O-NZ 3.16Å; S23-K119 PolarHBondContact O-NZ 3.22Å; S23-K119 VanDerWaalsContact O-NZ 3.16Å; N116-K119 HydrophobicContact CB-CB 4.39Å; N116-K119 WeakPolarHBondContact ND2-CD 3.47Å; N116-K119 PolarHBondContact O-N 3.18Å; A117-K119 VanDerWaalsContact C-N 3.29Å; A117-K119 PolarHBondContact O-N 2.87Å
120V95.7Very high97.5Very high10 Ų1029 Ų296%0.06114%0.143CC..Hα-helixtrans-13617.4-164.1-63.10000113.5F29 T115 N116 H123 Y124F29-V120 HydrophobicContact CB-CG2 4.35Å; F29-V120 HydrophobicContact CD1-CG1 4.12Å; F29-V120 HydrophobicContact CD2-CB 3.99Å; F29-V120 HydrophobicContact CD2-CG1 3.66Å; F29-V120 HydrophobicContact CE1-CG1 4.04Å; F29-V120 HydrophobicContact CE2-CB 4.36Å; F29-V120 HydrophobicContact CE2-CG1 3.58Å; F29-V120 HydrophobicContact CG-CB 4.21Å; F29-V120 HydrophobicContact CG-CG1 3.94Å; F29-V120 HydrophobicContact CG-CG2 4.32Å; F29-V120 HydrophobicContact CZ-CG1 3.77Å; T115-V120 WeakPolarHBondContact OG1-CG2 3.28Å; N116-V120 VanDerWaalsContact O-CG2 3.24Å; N116-V120 WeakPolarHBondContact O-CG2 3.27Å; N116-V120 PolarHBondContact O-N 2.83Å; N116-V120 VanDerWaalsContact O-N 3.1Å; V120-H123 HydrophobicContact CB-CB 4.46Å; V120-H123 VanDerWaalsContact O-CB 3.28Å; V120-H123 WeakPolarHBondContact O-CB 3.38Å; V120-H123 PolarHBondContact O-N 3.17Å; V120-H123 VanDerWaalsContact O-N 3.09Å; V120-Y124 HydrophobicContact CG2-CE2 3.87Å; V120-Y124 WeakPolarHBondContact O-CD2 3.44Å
121L97.5Very high97.5Very high0 Ų033.8 Ų33.80%016%0.164CC..Hα-helixtrans-56.5-45.2-178.1-177.874000113.5L58 M83 A117 H123 Y124 F125 M133 Y160 V163L58-L121 HydrophobicContact CD2-CD1 3.62Å; M83-L121 HydrophobicContact CE-CD1 4Å; M83-L121 HydrophobicContact SD-CD1 3.77Å; A117-L121 HydrophobicContact CB-CD1 4.38Å; A117-L121 VanDerWaalsContact O-CB 3.27Å; A117-L121 WeakPolarHBondContact O-CB 3.39Å; L121-H123 PolarHBondContact O-N 3.21Å; L121-H123 VanDerWaalsContact O-N 3.09Å; L121-Y124 PolarHBondContact O-N 2.99Å; L121-Y124 VanDerWaalsContact O-N 3.15Å; L121-F125 HydrophobicContact CD1-CD2 3.75Å; L121-F125 HydrophobicContact CD1-CE2 3.54Å; L121-F125 HydrophobicContact CG-CD2 4.24Å; L121-F125 HydrophobicContact CG-CE2 4.5Å; L121-M133 HydrophobicContact CD2-CE 3.9Å; L121-Y160 HydrophobicContact CD2-CD1 3.51Å; L121-Y160 HydrophobicContact CD2-CE1 3.66Å; L121-V163 HydrophobicContact CD2-CG2 4.03Å
122P97.5Very high97.5Very high38 Ų3835.4 Ų35.425%0.24717%0.17CC..Hα-helixtrans-66.6-10.2179.2-21.935.6000114.5P33 Y124 E159 Y162P33-P122 WeakPolarHBondContact CG-O 3.29Å; P122-Y124 VanDerWaalsContact C-N 3.33Å; P122-E159 VanDerWaalsContact CD-OE2 3.3Å; P122-E159 WeakPolarHBondContact CD-OE2 3.42Å; P122-E159 HydrophobicContact CG-CB 4.46Å; P122-E159 HydrophobicContact CG-CG 4.28Å; P122-E159 WeakPolarHBondContact CG-OE2 3.46Å; P122-Y162 HydrophobicContact CB-CD1 4.46Å; P122-Y162 HydrophobicContact CB-CE1 4.37Å
123H97.9Very high97.5Very high58 Ų5835.1 Ų35.127%0.26917%0.168SC..Hα-helixtrans-76.1-23175.8-68.7-108.8000112.6F29 P30 A31 R32 P33 V120 L121F29-H123 HydrophobicContact CD2-CB 4.42Å; F29-H123 AromaticContact CD2-ND1 3.88Å; F29-H123 AromaticContact CE2-CE1 3.99Å; F29-H123 AromaticContact CE2-ND1 3.89Å; P30-H123 HydrophobicContact CG-CB 4.32Å; P30-H123 VanDerWaalsContact CG-O 3.29Å; P30-H123 WeakPolarHBondContact CG-O 3.49Å; P30-H123 WeakPolarHBondContact O-CB 3.37Å; P30-H123 PolarHBondContact O-ND1 3.49Å; A31-H123 PolarHBondContact O-ND1 2.88Å; R32-H123 CarbonylContact C-O 3.18Å; P33-H123 VanDerWaalsContact CA-O 3.25Å; P33-H123 WeakPolarHBondContact CA-O 3.37Å; P33-H123 VanDerWaalsContact N-O 3.09Å; V120-H123 HydrophobicContact CB-CB 4.46Å; V120-H123 VanDerWaalsContact O-CB 3.28Å; V120-H123 WeakPolarHBondContact O-CB 3.38Å; V120-H123 PolarHBondContact O-N 3.17Å; V120-H123 VanDerWaalsContact O-N 3.09Å; L121-H123 PolarHBondContact O-N 3.21Å; L121-H123 VanDerWaalsContact O-N 3.09Å
124Y98.4Very high97.6Very high8 Ų834.4 Ų34.43%0.03116%0.164CC..Hα-helixtrans-96.6-19.4-177.2-67.8-80.9000113.8D28 F29 P30 F36 M83 I113 T115 V120 L121 P122D28-Y124 PolarHBondContact O-OH 2.71Å; F29-Y124 HydrophobicContact CB-CE2 4.18Å; F29-Y124 VanDerWaalsContact CB-OH 3.22Å; F29-Y124 WeakPolarHBondContact CB-OH 3.37Å; P30-Y124 HydrophobicContact CG-CD1 3.89Å; P30-Y124 HydrophobicContact CG-CE1 3.96Å; P30-Y124 HydrophobicContact CG-CG 4.42Å; F36-Y124 AromaticContact CD1-CD1 3.84Å; F36-Y124 HydrophobicContact CD1-CD1 3.84Å; F36-Y124 AromaticContact CD2-CD1 3.9Å; F36-Y124 HydrophobicContact CD2-CD1 3.9Å; F36-Y124 HydrophobicContact CD2-CE1 4.19Å; F36-Y124 AromaticContact CE1-CD1 3.76Å; F36-Y124 HydrophobicContact CE1-CD1 3.76Å; F36-Y124 AromaticContact CE2-CD1 3.85Å; F36-Y124 HydrophobicContact CE2-CD1 3.85Å; F36-Y124 HydrophobicContact CE2-CE1 4.02Å; F36-Y124 AromaticContact CG-CD1 3.92Å; F36-Y124 HydrophobicContact CG-CD1 3.92Å; F36-Y124 AromaticContact CZ-CD1 3.78Å; F36-Y124 HydrophobicContact CZ-CD1 3.78Å; F36-Y124 HydrophobicContact CZ-CE1 4.26Å; M83-Y124 HydrophobicContact CE-CD1 4.43Å; M83-Y124 HydrophobicContact CE-CD2 3.46Å; M83-Y124 VanDerWaalsContact CE-CD2 3.46Å; M83-Y124 HydrophobicContact CE-CE2 4.04Å; M83-Y124 HydrophobicContact CE-CG 3.67Å; I113-Y124 HydrophobicContact CD1-CD1 3.95Å; I113-Y124 HydrophobicContact CD1-CE1 3.76Å; I113-Y124 HydrophobicContact CD1-CG 4.4Å; T115-Y124 WeakPolarHBondContact CB-OH 3.33Å; T115-Y124 HydrophobicContact CG2-CE2 4.01Å; T115-Y124 WeakPolarHBondContact OG1-CE2 3.15Å; T115-Y124 PolarHBondContact OG1-OH 3.34Å; V120-Y124 HydrophobicContact CG2-CE2 3.87Å; V120-Y124 WeakPolarHBondContact O-CD2 3.44Å; L121-Y124 PolarHBondContact O-N 2.99Å; L121-Y124 VanDerWaalsContact O-N 3.15Å; P122-Y124 VanDerWaalsContact C-N 3.33Å
125F98.5Very high97.6Very high0 Ų031.3 Ų31.30%015%0.153CC..  trans-134.6136.3-166.7-54.9-58.6000112.1P33 I55 L58 V81 M83 L121 L130 V163P33-F125 WeakPolarHBondContact CG-O 3.33Å; I55-F125 HydrophobicContact CB-CE1 3.95Å; I55-F125 HydrophobicContact CD1-CE1 4.04Å; I55-F125 HydrophobicContact CG2-CE1 3.79Å; I55-F125 HydrophobicContact CG2-CZ 4.39Å; L58-F125 HydrophobicContact CD1-CE2 4.26Å; L58-F125 HydrophobicContact CD1-CZ 4.09Å; L58-F125 HydrophobicContact CD2-CE2 3.81Å; L58-F125 HydrophobicContact CD2-CZ 4.33Å; V81-F125 HydrophobicContact CG1-CE1 4.41Å; V81-F125 HydrophobicContact CG1-CZ 3.89Å; M83-F125 HydrophobicContact CE-CD2 4.42Å; M83-F125 HydrophobicContact CE-CE2 3.37Å; M83-F125 HydrophobicContact CE-CZ 3.64Å; M83-F125 HydrophobicContact SD-CE2 4.36Å; L121-F125 HydrophobicContact CD1-CD2 3.75Å; L121-F125 HydrophobicContact CD1-CE2 3.54Å; L121-F125 HydrophobicContact CG-CD2 4.24Å; L121-F125 HydrophobicContact CG-CE2 4.5Å; F125-L130 HydrophobicContact CD1-CD2 4.02Å; F125-L130 HydrophobicContact CD1-CG 4.44Å; F125-L130 HydrophobicContact CD2-CD1 3.96Å; F125-L130 HydrophobicContact CE1-CD2 4.02Å; F125-L130 HydrophobicContact CE2-CD1 4.12Å; F125-L130 HydrophobicContact CG-CD1 4.24Å; F125-L130 HydrophobicContact CG-CD2 4.35Å; F125-L130 HydrophobicContact CG-CG 4.29Å; F125-L130 HydrophobicContact CZ-CD2 4.33Å; F125-V163 HydrophobicContact CB-CB 4.12Å; F125-V163 HydrophobicContact CB-CG1 3.93Å
126F98.4Very high97.7Very high63 Ų6332 Ų3228%0.27616%0.157SC..  trans-69.8161.6171.1-64.1-92.7000110.8P33 D34 G128 Q129P33-F126 HydrophobicContact CB-CD1 4.01Å; P33-F126 HydrophobicContact CB-CD2 3.63Å; P33-F126 HydrophobicContact CB-CE1 3.88Å; P33-F126 HydrophobicContact CB-CE2 3.47Å; P33-F126 VanDerWaalsContact CB-CE2 3.47Å; P33-F126 HydrophobicContact CB-CG 3.91Å; P33-F126 HydrophobicContact CB-CZ 3.63Å; D34-F126 HydrophobicContact CB-CZ 4.45Å; D34-F126 WeakPolarHBondContact OD1-CE1 3.37Å; D34-F126 WeakPolarHBondContact OD1-CZ 3.3Å; F126-G128 PolarHBondContact O-N 3.36Å; F126-Q129 HydrophobicContact CB-CB 4.35Å; F126-Q129 VanDerWaalsContact CD2-OE1 3.31Å; F126-Q129 VanDerWaalsContact O-CB 3.31Å; F126-Q129 WeakPolarHBondContact O-CB 3.47Å; F126-Q129 PolarHBondContact O-N 2.82Å
127K98Very high97.7Very high151 Ų15132.8 Ų32.866%0.65716%0.16SC*.THydrogen-bonded Turntrans-55130.2172.1-178.4-178.5175.5-178.90109.9Q129 Y162K127-Q129 PolarHBondContact O-N 3.34Å; K127-Y162 CarbonylContact C-O 3.49Å; K127-Y162 VanDerWaalsContact CA-O 3.3Å; K127-Y162 WeakPolarHBondContact CA-O 3.48Å; K127-Y162 HydrophobicContact CB-CD2 4.34Å; K127-Y162 HydrophobicContact CB-CE1 4.41Å; K127-Y162 HydrophobicContact CB-CE2 3.8Å; K127-Y162 HydrophobicContact CD-CD2 4.48Å; K127-Y162 HydrophobicContact CD-CE2 4.16Å; K127-Y162 HydrophobicContact CG-CD2 4.12Å; K127-Y162 HydrophobicContact CG-CE2 3.96Å
128G98.3Very high97.7Very high29 Ų2933.5 Ų33.530%0.29916%0.163SC..THydrogen-bonded Turntrans66.917.4175.400000115.5F126 Y162 V163 A165F126-G128 PolarHBondContact O-N 3.36Å; G128-Y162 PolarHBondContact N-O 3.43Å; G128-V163 CarbonylContact C-O 3.57Å; G128-A165 WeakPolarHBondContact O-CA 3.18Å; G128-A165 VanDerWaalsContact O-CB 3.28Å; G128-A165 WeakPolarHBondContact O-CB 3.42Å
129Q98.6Very high97.6Very high26 Ų2634.1 Ų34.112%0.12117%0.167CC..  trans-73.5-41-177.5-175.1-175.2-42.500113.2R54 I55 F126 K127 V163R54-Q129 HydrophobicContact CB-CG 4.1Å; I55-Q129 WeakPolarHBondContact O-CG 3.16Å; I55-Q129 PolarHBondContact O-NE2 3.08Å; F126-Q129 HydrophobicContact CB-CB 4.35Å; F126-Q129 VanDerWaalsContact CD2-OE1 3.31Å; F126-Q129 VanDerWaalsContact O-CB 3.31Å; F126-Q129 WeakPolarHBondContact O-CB 3.47Å; F126-Q129 PolarHBondContact O-N 2.82Å; K127-Q129 PolarHBondContact O-N 3.34Å; Q129-V163 PolarHBondContact N-O 3.41Å
130L98.9Very high97.4Very high0 Ų030.7 Ų30.70%015%0.154CC..EExtended strand (participates in β ladder)trans-83.1138-171.1-62.9178.9000111.3I55 L58 F125 M133 V163 L164 A165I55-L130 HydrophobicContact CG2-CD2 4.11Å; I55-L130 WeakPolarHBondContact O-CD2 3.28Å; L58-L130 HydrophobicContact CB-CD1 3.99Å; L58-L130 HydrophobicContact CB-CD2 4.29Å; L58-L130 HydrophobicContact CD2-CD1 3.75Å; F125-L130 HydrophobicContact CD1-CD2 4.02Å; F125-L130 HydrophobicContact CD1-CG 4.44Å; F125-L130 HydrophobicContact CD2-CD1 3.96Å; F125-L130 HydrophobicContact CE1-CD2 4.02Å; F125-L130 HydrophobicContact CE2-CD1 4.12Å; F125-L130 HydrophobicContact CG-CD1 4.24Å; F125-L130 HydrophobicContact CG-CD2 4.35Å; F125-L130 HydrophobicContact CG-CG 4.29Å; F125-L130 HydrophobicContact CZ-CD2 4.33Å; L130-M133 HydrophobicContact CD1-CE 4.44Å; L130-M133 HydrophobicContact CD1-CG 3.92Å; L130-M133 HydrophobicContact CD1-SD 4.1Å; L130-V163 HydrophobicContact CD1-CB 4.21Å; L130-V163 HydrophobicContact CD1-CG2 3.79Å; L130-V163 PolarHBondContact N-O 2.94Å; L130-L164 HydrophobicContact CB-CD1 3.82Å; L130-L164 CarbonylContact O-C 3.54Å; L130-L164 WeakPolarHBondContact O-CA 3.47Å; L130-L164 VanDerWaalsContact O-CD1 3.26Å; L130-L164 WeakPolarHBondContact O-CD1 3.38Å; L130-A165 WeakPolarHBondContact O-CB 3.44Å; L130-A165 PolarHBondContact O-N 2.66Å
131K98.8Very high97.1Very high100 Ų10031.3 Ų31.344%0.43516%0.156SC..EExtended strand (participates in β ladder)trans-97.8-30.7172.6-63.8-180-174.4162.90112.3E56 G168 V169E56-K131 HydrophobicContact CB-CB 4.49Å; E56-K131 HydrophobicContact CB-CD 4.24Å; E56-K131 HydrophobicContact CB-CG 4.29Å; E56-K131 VanDerWaalsContact CD-CE 3.47Å; E56-K131 PolarHBondContact O-N 2.87Å; E56-K131 WeakPolarHBondContact OE1-CE 3.46Å; E56-K131 IonicContact OE1-NZ 2.79Å; E56-K131 PolarHBondContact OE1-NZ 2.9Å; E56-K131 IonicContact OE2-NZ 3.31Å; E56-K131 PolarHBondContact OE2-NZ 3.29Å; K131-G168 CarbonylContact O-C 3.49Å; K131-G168 WeakPolarHBondContact O-CA 3.34Å; K131-V169 PolarHBondContact O-N 2.9Å
132K98.9Very high96.6Very high41 Ų4138.2 Ų38.218%0.17819%0.186CC..EExtended strand (participates in β ladder)trans-140.1137.7179.8-62-172.9-171.5-55.90112E56 I57 L58 Y75 F134 V169 Y171 L206E56-K132 PolarHBondContact O-N 2.91Å; E56-K132 VanDerWaalsContact O-N 3.16Å; I57-K132 WeakPolarHBondContact CA-O 3.3Å; I57-K132 HydrophobicContact CG1-CB 4.35Å; I57-K132 HydrophobicContact CG2-CB 4.15Å; L58-K132 PolarHBondContact N-O 2.9Å; Y75-K132 WeakPolarHBondContact OH-CE 3.49Å; K132-F134 HydrophobicContact CB-CE2 3.98Å; K132-F134 HydrophobicContact CB-CZ 4.29Å; K132-F134 HydrophobicContact CD-CZ 4.21Å; K132-V169 CarbonylContact C-O 3.51Å; K132-V169 VanDerWaalsContact CA-O 3.28Å; K132-V169 WeakPolarHBondContact CA-O 3.32Å; K132-Y171 HydrophobicContact CD-CE2 4.25Å; K132-L206 HydrophobicContact CD-CD1 4.12Å
133M98.9Very high96.2Very high0 Ų043.8 Ų43.80%021%0.207CC..EExtended strand (participates in β ladder)trans-128138.9170-62.8171.777.300109.9L58 V60 L121 L130 F135 Y160 V163 L164 V169 I170 Y171L58-M133 HydrophobicContact CB-CG 4.31Å; L58-M133 HydrophobicContact CD2-CE 3.87Å; L58-M133 HydrophobicContact CD2-CG 4.41Å; L58-M133 CarbonylContact O-C 3.59Å; L58-M133 WeakPolarHBondContact O-CA 3.42Å; V60-M133 HydrophobicContact CG2-CE 4.48Å; L121-M133 HydrophobicContact CD2-CE 3.9Å; L130-M133 HydrophobicContact CD1-CE 4.44Å; L130-M133 HydrophobicContact CD1-CG 3.92Å; L130-M133 HydrophobicContact CD1-SD 4.1Å; M133-F135 HydrophobicContact CB-CE2 4Å; M133-F135 HydrophobicContact CE-CE2 4.17Å; M133-F135 HydrophobicContact CE-CZ 3.76Å; M133-Y160 HydrophobicContact CE-CD1 3.61Å; M133-Y160 HydrophobicContact CE-CE1 4.19Å; M133-Y160 HydrophobicContact CE-CG 3.95Å; M133-V163 HydrophobicContact CE-CG2 4.31Å; M133-V163 HydrophobicContact SD-CG2 4.11Å; M133-L164 HydrophobicContact CG-CD1 3.8Å; M133-L164 HydrophobicContact SD-CD1 3.91Å; M133-V169 PolarHBondContact N-O 2.77Å; M133-I170 HydrophobicContact CB-CG1 4.2Å; M133-I170 CarbonylContact O-C 3.51Å; M133-I170 WeakPolarHBondContact O-CA 3.46Å; M133-I170 HydrophobicContact SD-CD1 4.19Å; M133-I170 HydrophobicContact SD-CG1 4.35Å; M133-Y171 PolarHBondContact O-N 3.39Å
134F98.9Very high95.7Very high0 Ų049.6 Ų49.60%023%0.231CC..EExtended strand (participates in β ladder)trans-119.9131.7179.4-60.4-87.7000110.7I57 L58 V60 L67 L71 K132 L136 Y171 L206 I210I57-F134 HydrophobicContact CG2-CD2 4.13Å; I57-F134 HydrophobicContact CG2-CE2 3.55Å; L58-F134 PolarHBondContact O-N 3.15Å; V60-F134 PolarHBondContact N-O 3.39Å; L67-F134 HydrophobicContact CD2-CB 3.6Å; L67-F134 HydrophobicContact CD2-CD1 3.98Å; L67-F134 HydrophobicContact CD2-CD2 3.82Å; L67-F134 HydrophobicContact CD2-CE2 4.48Å; L67-F134 HydrophobicContact CD2-CG 3.54Å; L71-F134 HydrophobicContact CD1-CD2 4.16Å; L71-F134 HydrophobicContact CD1-CE2 3.6Å; L71-F134 HydrophobicContact CD1-CZ 4.03Å; L71-F134 HydrophobicContact CD2-CZ 4.38Å; K132-F134 HydrophobicContact CB-CE2 3.98Å; K132-F134 HydrophobicContact CB-CZ 4.29Å; K132-F134 HydrophobicContact CD-CZ 4.21Å; F134-L136 HydrophobicContact CB-CD2 4.13Å; F134-L136 HydrophobicContact CB-CG 4.07Å; F134-L136 HydrophobicContact CD1-CD2 4.39Å; F134-Y171 AromaticContact CD1-CD2 3.85Å; F134-Y171 HydrophobicContact CD1-CD2 3.85Å; F134-Y171 HydrophobicContact CD1-CG 4.01Å; F134-Y171 AromaticContact CE1-CD2 3.44Å; F134-Y171 HydrophobicContact CE1-CD2 3.44Å; F134-Y171 VanDerWaalsContact CE1-CD2 3.44Å; F134-Y171 HydrophobicContact CE1-CE2 4.01Å; F134-Y171 AromaticContact CE1-CG 3.84Å; F134-Y171 HydrophobicContact CE1-CG 3.84Å; F134-Y171 HydrophobicContact CZ-CD2 4.03Å; F134-Y171 HydrophobicContact CZ-CE2 4.29Å; F134-L206 HydrophobicContact CE1-CD1 4.45Å; F134-L206 HydrophobicContact CZ-CD1 4.17Å; F134-I210 HydrophobicContact CD1-CD1 4.36Å; F134-I210 HydrophobicContact CD1-CG1 4.07Å; F134-I210 HydrophobicContact CE1-CD1 3.87Å; F134-I210 HydrophobicContact CE1-CG1 3.79Å
135F98.6Very high95.3Very high2 Ų253.3 Ų53.31%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-125.987.7173.2-60.3-88000108.4V60 M133 I151 I152 Y160 I170 Y171 V172 A173V60-F135 HydrophobicContact CB-CD1 3.75Å; V60-F135 HydrophobicContact CB-CE1 3.59Å; V60-F135 HydrophobicContact CB-CZ 4.35Å; V60-F135 HydrophobicContact CG1-CD1 4.04Å; V60-F135 HydrophobicContact CG1-CE1 3.74Å; V60-F135 HydrophobicContact CG2-CD1 4.25Å; V60-F135 HydrophobicContact CG2-CE1 3.66Å; V60-F135 HydrophobicContact CG2-CZ 3.96Å; M133-F135 HydrophobicContact CB-CE2 4Å; M133-F135 HydrophobicContact CE-CE2 4.17Å; M133-F135 HydrophobicContact CE-CZ 3.76Å; F135-I151 HydrophobicContact CD1-CB 4.36Å; F135-I151 HydrophobicContact CD1-CG1 3.55Å; F135-I151 HydrophobicContact CD1-CG2 3.82Å; F135-I151 HydrophobicContact CE1-CD1 4.33Å; F135-I151 HydrophobicContact CE1-CG1 3.49Å; F135-I151 VanDerWaalsContact CE1-CG1 3.49Å; F135-I152 HydrophobicContact CB-CD1 4.27Å; F135-I152 HydrophobicContact CD1-CD1 4.12Å; F135-I152 HydrophobicContact CD2-CD1 4.01Å; F135-I152 HydrophobicContact CE1-CD1 4.46Å; F135-I152 HydrophobicContact CE2-CD1 4.36Å; F135-I152 HydrophobicContact CG-CD1 3.88Å; F135-Y160 HydrophobicContact CE1-CE1 4.3Å; F135-Y160 AromaticContact CE1-CE2 3.94Å; F135-Y160 HydrophobicContact CE1-CE2 3.94Å; F135-Y160 AromaticContact CE1-CZ 3.68Å; F135-Y160 HydrophobicContact CE2-CD2 4.27Å; F135-Y160 HydrophobicContact CE2-CE2 4.16Å; F135-Y160 HydrophobicContact CZ-CD1 4.26Å; F135-Y160 AromaticContact CZ-CD2 3.86Å; F135-Y160 HydrophobicContact CZ-CD2 3.86Å; F135-Y160 AromaticContact CZ-CE1 3.9Å; F135-Y160 HydrophobicContact CZ-CE1 3.9Å; F135-Y160 AromaticContact CZ-CE2 3.46Å; F135-Y160 HydrophobicContact CZ-CE2 3.46Å; F135-Y160 VanDerWaalsContact CZ-CE2 3.46Å; F135-Y160 HydrophobicContact CZ-CG 4.25Å; F135-Y160 AromaticContact CZ-CZ 3.47Å; F135-Y160 VanDerWaalsContact CZ-CZ 3.47Å; F135-I170 HydrophobicContact CD2-CG2 3.52Å; F135-I170 HydrophobicContact CE2-CD1 4.47Å; F135-I170 HydrophobicContact CE2-CG2 3.51Å; F135-Y171 PolarHBondContact N-O 3.01Å; F135-V172 HydrophobicContact CB-CG2 4.38Å; F135-V172 WeakPolarHBondContact O-CA 3.37Å; F135-A173 PolarHBondContact O-N 3.12Å; F135-A173 VanDerWaalsContact O-N 3.11Å
136L98.4Very high94.8Very high17 Ų1757 Ų579%0.08927%0.274CS..EExtended strand (participates in β ladder)trans-107.3120.4-168.4-49.2-168.3000111.3L67 F134 A173 I210 T214L67-L136 HydrophobicContact CB-CD1 4.34Å; L67-L136 HydrophobicContact CD1-CD1 4.02Å; L67-L136 HydrophobicContact CD2-CD1 3.53Å; L67-L136 HydrophobicContact CD2-CG 4.3Å; L67-L136 HydrophobicContact CG-CD1 4.15Å; F134-L136 HydrophobicContact CB-CD2 4.13Å; F134-L136 HydrophobicContact CB-CG 4.07Å; F134-L136 HydrophobicContact CD1-CD2 4.39Å; L136-A173 HydrophobicContact CD2-CB 3.84Å; L136-I210 HydrophobicContact CD1-CG2 4.29Å; L136-I210 HydrophobicContact CD2-CG2 3.64Å; L136-T214 HydrophobicContact CB-CG2 4.06Å; L136-T214 HydrophobicContact CD1-CG2 3.61Å; L136-T214 HydrophobicContact CG-CG2 4.48Å
137F97Very high94.4Very high22 Ų2256.2 Ų56.210%0.09627%0.271CS..SBendtrans52.350.2-177.6-53.6-88.9000113.1A173 D175 T214 E216 G217 V220 K227F137-A173 WeakPolarHBondContact CA-O 3.43Å; F137-A173 HydrophobicContact CE2-CB 4.42Å; F137-A173 PolarHBondContact N-O 2.81Å; F137-D175 HydrophobicContact CE1-CB 4.45Å; F137-T214 VanDerWaalsContact CD2-OG1 3.32Å; F137-T214 WeakPolarHBondContact CD2-OG1 3.4Å; F137-T214 VanDerWaalsContact CE2-OG1 3.28Å; F137-T214 WeakPolarHBondContact CE2-OG1 3.33Å; F137-E216 HydrophobicContact CB-CB 3.61Å; F137-E216 HydrophobicContact CB-CG 4.19Å; F137-E216 HydrophobicContact CD1-CB 4.16Å; F137-E216 HydrophobicContact CD2-CB 4.09Å; F137-E216 HydrophobicContact CG-CB 3.67Å; F137-G217 VanDerWaalsContact CE2-CA 3.49Å; F137-V220 HydrophobicContact CD1-CG2 4.37Å; F137-V220 HydrophobicContact CE1-CG2 4.04Å; F137-K227 HydrophobicContact CE1-CG 4.41Å; F137-K227 HydrophobicContact CZ-CD 4.25Å; F137-K227 HydrophobicContact CZ-CG 4.44Å
138P95.4Very high94Very high21 Ų2156 Ų5614%0.13627%0.27CS..  trans-63.5155.7176.531-36.6000110.8P140 I151 A173 Y179P138-P140 WeakPolarHBondContact O-CD 3.17Å; P138-I151 HydrophobicContact CB-CG2 3.66Å; P138-I151 HydrophobicContact CG-CG2 4.4Å; P138-A173 WeakPolarHBondContact CD-O 3.43Å; P138-Y179 HydrophobicContact CB-CE1 4.39Å; P138-Y179 HydrophobicContact CG-CD1 4.12Å; P138-Y179 HydrophobicContact CG-CE1 3.28Å; P138-Y179 HydrophobicContact CG-CE2 4.41Å; P138-Y179 VanDerWaalsContact CG-CZ 3.45Å; P138-Y179 WeakPolarHBondContact CG-OH 3.1Å
139D91.9Very high93.8Very high42 Ų4256.8 Ų56.823%0.22526%0.264CS..  trans-62.6120.4174.1-175.1-17.2000110H18 H141H18-D139 IonicContact CE1-OD2 2.8Å; H18-D139 PolarHBondContact CE1-OD2 2.73Å; H18-D139 IonicContact CG-OD2 3.82Å; H18-D139 VanDerWaalsContact CG-OD2 3.31Å; H18-D139 VanDerWaalsContact ND1-CG 3.26Å; H18-D139 IonicContact ND1-OD2 3.53Å; H18-D139 PolarHBondContact ND1-OD2 3.06Å; D139-H141 PolarHBondContact O-N 2.88Å; D139-H141 IonicContact OD1-CE1 3.57Å; D139-H141 IonicContact OD1-CG 2.86Å; D139-H141 PolarHBondContact OD1-N 3.02Å; D139-H141 IonicContact OD1-ND1 3.76Å; D139-H141 PolarHBondContact OD1-ND1 3.23Å; D139-H141 IonicContact OD2-CE1 3.07Å; D139-H141 PolarHBondContact OD2-CE1 2.84Å; D139-H141 IonicContact OD2-ND1 3.95Å; D139-H141 PolarHBondContact OD2-ND1 2.77Å; D139-H141 IonicContact OD2-NE2 2.96Å
140P91.3Very high93.6Very high16 Ų1656.3 Ų56.310%0.10426%0.262CS..  trans-68.9-21.4-177.628.9-37.7000113P138 F142 R150 V176 Y179P138-P140 WeakPolarHBondContact O-CD 3.17Å; P140-F142 HydrophobicContact CB-CD1 4.36Å; P140-F142 HydrophobicContact CB-CE1 4Å; P140-F142 HydrophobicContact CB-CE2 4.21Å; P140-F142 HydrophobicContact CB-CZ 3.92Å; P140-F142 HydrophobicContact CG-CD1 4.49Å; P140-F142 HydrophobicContact CG-CD2 3.92Å; P140-F142 HydrophobicContact CG-CE1 4Å; P140-F142 HydrophobicContact CG-CE2 3.35Å; P140-F142 HydrophobicContact CG-CG 4.46Å; P140-F142 HydrophobicContact CG-CZ 3.4Å; P140-F142 PolarHBondContact O-N 2.95Å; P140-R150 VanDerWaalsContact O-CZ 3.23Å; P140-R150 PolarHBondContact O-NE 3.01Å; P140-R150 PolarHBondContact O-NH2 2.93Å; P140-V176 HydrophobicContact CB-CB 4.46Å; P140-V176 HydrophobicContact CB-CG1 4.28Å; P140-V176 HydrophobicContact CB-CG2 4.16Å; P140-V176 HydrophobicContact CG-CG2 4.13Å; P140-Y179 HydrophobicContact CB-CD2 3.98Å; P140-Y179 HydrophobicContact CB-CG 4.46Å
141H89.4Confident93.5Very high24 Ų2457.5 Ų57.511%0.11127%0.268CS..  trans45.759.7-177.5-66.2-47.6000113.1D139 K143 K146 H147 W149 R150D139-H141 PolarHBondContact O-N 2.88Å; D139-H141 IonicContact OD1-CE1 3.57Å; D139-H141 IonicContact OD1-CG 2.86Å; D139-H141 PolarHBondContact OD1-N 3.02Å; D139-H141 IonicContact OD1-ND1 3.76Å; D139-H141 PolarHBondContact OD1-ND1 3.23Å; D139-H141 IonicContact OD2-CE1 3.07Å; D139-H141 PolarHBondContact OD2-CE1 2.84Å; D139-H141 IonicContact OD2-ND1 3.95Å; D139-H141 PolarHBondContact OD2-ND1 2.77Å; D139-H141 IonicContact OD2-NE2 2.96Å; H141-K143 PolarHBondContact O-N 3.06Å; H141-K146 HydrophobicContact CB-CB 3.93Å; H141-H147 PolarHBondContact O-CD2 3.29Å; H141-W149 VanDerWaalsContact CD2-CB 3.47Å; H141-W149 WeakPolarHBondContact CD2-CB 3.43Å; H141-W149 PolarHBondContact CD2-O 2.98Å; H141-W149 AromaticContact CE1-CE3 3.98Å; H141-W149 VanDerWaalsContact NE2-CB 3.27Å; H141-W149 WeakPolarHBondContact NE2-CB 3.4Å; H141-W149 PolarHBondContact NE2-O 3.4Å; H141-R150 HydrophobicContact CB-CG 4.25Å
142F87.5Confident93.5Very high144 Ų14452.7 Ų52.763%0.63225%0.247SC*.  trans-50.7-27.2-171-62.3-75.3000116.7P140 V176P140-F142 HydrophobicContact CB-CD1 4.36Å; P140-F142 HydrophobicContact CB-CE1 4Å; P140-F142 HydrophobicContact CB-CE2 4.21Å; P140-F142 HydrophobicContact CB-CZ 3.92Å; P140-F142 HydrophobicContact CG-CD1 4.49Å; P140-F142 HydrophobicContact CG-CD2 3.92Å; P140-F142 HydrophobicContact CG-CE1 4Å; P140-F142 HydrophobicContact CG-CE2 3.35Å; P140-F142 HydrophobicContact CG-CG 4.46Å; P140-F142 HydrophobicContact CG-CZ 3.4Å; P140-F142 PolarHBondContact O-N 2.95Å; F142-V176 HydrophobicContact CE1-CG1 3.7Å; F142-V176 HydrophobicContact CE1-CG2 4.39Å; F142-V176 HydrophobicContact CZ-CG1 4.18Å; F142-V176 HydrophobicContact CZ-CG2 4.02Å
143K89.1Confident93.3Very high155 Ų15552.1 Ų52.167%0.67425%0.248SC*.SBendtrans-77.7126.4177.7-67.2-176.5179-177.10109.5H141 S145 K146 H147H141-K143 PolarHBondContact O-N 3.06Å; K143-S145 PolarHBondContact O-N 3.08Å; K143-K146 HydrophobicContact CB-CG 4.13Å; K143-K146 WeakPolarHBondContact O-CA 3.17Å; K143-K146 WeakPolarHBondContact O-CB 3.32Å; K143-K146 PolarHBondContact O-N 2.86Å; K143-H147 PolarHBondContact O-CD2 2.75Å; K143-H147 VanDerWaalsContact O-CD2 3.29Å; K143-H147 PolarHBondContact O-N 3.04Å
144K86.9Confident93Very high181 Ų18159.1 Ų59.179%0.78727%0.274SS*.G310 helixtrans-47.2-40.5177.1-170.8175.9-179.1177.70113.7K146 H147K144-K146 PolarHBondContact O-N 2.86Å; K144-K146 VanDerWaalsContact O-N 3.11Å; K144-H147 WeakPolarHBondContact O-CB 3.37Å; K144-H147 PolarHBondContact O-N 3.22Å; K144-H147 VanDerWaalsContact O-N 3.09Å
145S89.8Confident92.8Very high85 Ų8566.4 Ų66.459%0.59431%0.308SS*.G310 helixtrans-63.4-15.3177.560.90000114.8K143K143-S145 PolarHBondContact O-N 3.08Å
146K88.9Confident92.7Very high77 Ų7766.8 Ų66.834%0.33531%0.31SS..G310 helixtrans-106.6-1.9178.7-55.6-58.4-173.3174.80112.9H141 K143 K144 K148 W149H141-K146 HydrophobicContact CB-CB 3.93Å; K143-K146 HydrophobicContact CB-CG 4.13Å; K143-K146 WeakPolarHBondContact O-CA 3.17Å; K143-K146 WeakPolarHBondContact O-CB 3.32Å; K143-K146 PolarHBondContact O-N 2.86Å; K144-K146 PolarHBondContact O-N 2.86Å; K144-K146 VanDerWaalsContact O-N 3.11Å; K146-K148 PolarHBondContact O-N 2.82Å; K146-K148 VanDerWaalsContact O-N 3.13Å; K146-W149 HydrophobicContact CB-CE3 4.32Å; K146-W149 HydrophobicContact CD-CD2 4.09Å; K146-W149 HydrophobicContact CD-CE3 3.74Å; K146-W149 HydrophobicContact CD-CH2 3.82Å; K146-W149 HydrophobicContact CD-CZ2 4.09Å; K146-W149 HydrophobicContact CD-CZ3 3.61Å; K146-W149 HydrophobicContact CG-CE3 4.44Å; K146-W149 WeakPolarHBondContact O-CB 3.49Å; K146-W149 PolarHBondContact O-N 3.11Å
147H90.3Very high92.7Very high47 Ų4766 Ų6622%0.21831%0.306CS..G310 helixtrans-59.2-28.3177.7-73.4-165.1000112.5H141 K143 K144 W149 R150H141-H147 PolarHBondContact O-CD2 3.29Å; K143-H147 PolarHBondContact O-CD2 2.75Å; K143-H147 VanDerWaalsContact O-CD2 3.29Å; K143-H147 PolarHBondContact O-N 3.04Å; K144-H147 WeakPolarHBondContact O-CB 3.37Å; K144-H147 PolarHBondContact O-N 3.22Å; K144-H147 VanDerWaalsContact O-N 3.09Å; H147-W149 PolarHBondContact O-N 3.4Å; H147-R150 PolarHBondContact NE2-NH2 3.11Å; H147-R150 WeakPolarHBondContact O-CB 3.23Å; H147-R150 WeakPolarHBondContact O-CG 3.48Å; H147-R150 PolarHBondContact O-N 2.86Å
148K89.6Confident92.7Very high146 Ų14667.3 Ų67.364%0.63532%0.321SS*.G310 helixtrans-61.4-11.5172.867.2175.3-179.2178.80114.7K146K146-K148 PolarHBondContact O-N 2.82Å; K146-K148 VanDerWaalsContact O-N 3.13Å
149W93.2Very high92.8Very high46 Ų4669.1 Ų69.117%0.17433%0.328CS..G310 helixtrans-96.4-3.2176.4-60.2-14.4000112.6N20 P21 M22 H141 K146 H147N20-W149 HydrophobicContact CB-CH2 4.31Å; N20-W149 VanDerWaalsContact OD1-CE2 3.29Å; N20-W149 WeakPolarHBondContact OD1-CZ2 3.36Å; N20-W149 PolarHBondContact OD1-NE1 2.69Å; P21-W149 HydrophobicContact CG-CB 3.79Å; P21-W149 HydrophobicContact CG-CG 4.07Å; M22-W149 VanDerWaalsContact CG-CD1 3.42Å; H141-W149 VanDerWaalsContact CD2-CB 3.47Å; H141-W149 WeakPolarHBondContact CD2-CB 3.43Å; H141-W149 PolarHBondContact CD2-O 2.98Å; H141-W149 AromaticContact CE1-CE3 3.98Å; H141-W149 VanDerWaalsContact NE2-CB 3.27Å; H141-W149 WeakPolarHBondContact NE2-CB 3.4Å; H141-W149 PolarHBondContact NE2-O 3.4Å; K146-W149 HydrophobicContact CB-CE3 4.32Å; K146-W149 HydrophobicContact CD-CD2 4.09Å; K146-W149 HydrophobicContact CD-CE3 3.74Å; K146-W149 HydrophobicContact CD-CH2 3.82Å; K146-W149 HydrophobicContact CD-CZ2 4.09Å; K146-W149 HydrophobicContact CD-CZ3 3.61Å; K146-W149 HydrophobicContact CG-CE3 4.44Å; K146-W149 WeakPolarHBondContact O-CB 3.49Å; K146-W149 PolarHBondContact O-N 3.11Å; H147-W149 PolarHBondContact O-N 3.4Å
150R95.5Very high93.2Very high16 Ų1667.1 Ų67.16%0.0632%0.317CS..  trans-69.1135.4177.1-68.4179.5173.8179.4-2.7110.4P140 H141 H147 I152 Y179 W182P140-R150 VanDerWaalsContact O-CZ 3.23Å; P140-R150 PolarHBondContact O-NE 3.01Å; P140-R150 PolarHBondContact O-NH2 2.93Å; H141-R150 HydrophobicContact CB-CG 4.25Å; H147-R150 PolarHBondContact NE2-NH2 3.11Å; H147-R150 WeakPolarHBondContact O-CB 3.23Å; H147-R150 WeakPolarHBondContact O-CG 3.48Å; H147-R150 PolarHBondContact O-N 2.86Å; R150-I152 PolarHBondContact O-N 3.14Å; R150-Y179 HydrophobicContact CB-CE2 4.45Å; R150-Y179 HydrophobicContact CG-CE2 4.02Å; R150-W182 VanDerWaalsContact NH1-CE2 3.34Å; R150-W182 VanDerWaalsContact NH1-CG 3.31Å
151I96.2Very high93.5Very high25 Ų2566.4 Ų66.413%0.12831%0.312CS..SBendtrans-69.6-24.7175.5-164.161.7000111.9V60 M118 F135 P138 L156 Y160V60-I151 HydrophobicContact CG1-CD1 3.97Å; V60-I151 HydrophobicContact CG1-CG1 3.99Å; M118-I151 HydrophobicContact CG-CD1 3.3Å; M118-I151 HydrophobicContact SD-CD1 4.17Å; F135-I151 HydrophobicContact CD1-CB 4.36Å; F135-I151 HydrophobicContact CD1-CG1 3.55Å; F135-I151 HydrophobicContact CD1-CG2 3.82Å; F135-I151 HydrophobicContact CE1-CD1 4.33Å; F135-I151 HydrophobicContact CE1-CG1 3.49Å; F135-I151 VanDerWaalsContact CE1-CG1 3.49Å; P138-I151 HydrophobicContact CB-CG2 3.66Å; P138-I151 HydrophobicContact CG-CG2 4.4Å; I151-L156 HydrophobicContact CD1-CD1 4.48Å; I151-L156 VanDerWaalsContact O-CD1 3.28Å; I151-L156 WeakPolarHBondContact O-CD1 3.24Å; I151-Y160 WeakPolarHBondContact CD1-OH 3.5Å; I151-Y160 WeakPolarHBondContact CG1-OH 3.32Å; I151-Y160 WeakPolarHBondContact O-CE2 3.25Å; I151-Y160 PolarHBondContact O-OH 3.27Å
152I97.7Very high93.9Very high0 Ų070.5 Ų70.50%033%0.328CS..SBendtrans-97.8108.4170.5-54.4-54.9000108.7F135 R150 L157 Y160 V172 Y179 A183 L186 F187F135-I152 HydrophobicContact CB-CD1 4.27Å; F135-I152 HydrophobicContact CD1-CD1 4.12Å; F135-I152 HydrophobicContact CD2-CD1 4.01Å; F135-I152 HydrophobicContact CE1-CD1 4.46Å; F135-I152 HydrophobicContact CE2-CD1 4.36Å; F135-I152 HydrophobicContact CG-CD1 3.88Å; R150-I152 PolarHBondContact O-N 3.14Å; I152-L157 HydrophobicContact CG2-CD2 4.41Å; I152-Y160 HydrophobicContact CD1-CE2 4.29Å; I152-V172 HydrophobicContact CD1-CG2 4.18Å; I152-Y179 HydrophobicContact CG1-CE1 4.36Å; I152-Y179 WeakPolarHBondContact CG1-OH 3.44Å; I152-A183 HydrophobicContact CG2-CB 4.02Å; I152-L186 HydrophobicContact CG2-CD1 4.15Å; I152-F187 HydrophobicContact CD1-CE2 4.3Å; I152-F187 HydrophobicContact CG2-CD2 4.48Å; I152-F187 HydrophobicContact CG2-CE2 4.01Å
153S95.5Very high94.4Very high28 Ų2863.6 Ų63.620%0.19630%0.297CS..  trans-150.3155.8177.474.30000110.2H155 L156 L157S153-H155 VanDerWaalsContact C-N 3.26Å; S153-H155 PolarHBondContact O-N 2.98Å; S153-L156 PolarHBondContact O-N 3.23Å; S153-L156 VanDerWaalsContact O-N 3.11Å; S153-L156 WeakPolarHBondContact OG-CG 3.45Å; S153-L157 WeakPolarHBondContact O-CG 3.34Å; S153-L157 PolarHBondContact O-N 3.1Å
154R93.1Very high94.9Very high148 Ų14856.3 Ų56.356%0.55827%0.266SS*.Hα-helixtrans-52.5-42.1-177.6-174.4176.8-78.2-153-1.5113.2L157 L186 E189R154-L157 PolarHBondContact O-N 3.18Å; R154-L186 HydrophobicContact CB-CD2 4.35Å; R154-E189 IonicContact CZ-OE2 3.81Å; R154-E189 IonicContact NH2-OE2 2.69Å; R154-E189 PolarHBondContact NH2-OE2 2.96Å
155H93.5Very high95.4Very high153 Ų15348.9 Ų48.971%0.70824%0.238SC*.Hα-helixtrans-65.8-46179.4-60.6-63.9000112.1S153 L157 A158S153-H155 VanDerWaalsContact C-N 3.26Å; S153-H155 PolarHBondContact O-N 2.98Å; H155-L157 VanDerWaalsContact C-N 3.29Å; H155-L157 PolarHBondContact O-N 3.35Å; H155-A158 PolarHBondContact O-N 3.18Å
156L97.7Very high95.8Very high9 Ų949.9 Ų49.95%0.04724%0.236CC..Hα-helixtrans-68.9-27.9-179.1-68.3172.2000112.4M118 I151 S153 A158 E159 Y160M118-L156 HydrophobicContact CB-CD1 4.39Å; M118-L156 HydrophobicContact CB-CD2 4.48Å; M118-L156 HydrophobicContact CE-CD1 4.11Å; M118-L156 HydrophobicContact CG-CD1 3.97Å; I151-L156 HydrophobicContact CD1-CD1 4.48Å; I151-L156 VanDerWaalsContact O-CD1 3.28Å; I151-L156 WeakPolarHBondContact O-CD1 3.24Å; S153-L156 PolarHBondContact O-N 3.23Å; S153-L156 VanDerWaalsContact O-N 3.11Å; S153-L156 WeakPolarHBondContact OG-CG 3.45Å; L156-A158 VanDerWaalsContact C-N 3.26Å; L156-A158 PolarHBondContact O-N 3.12Å; L156-E159 PolarHBondContact O-N 3.11Å; L156-E159 VanDerWaalsContact O-N 3.17Å; L156-Y160 HydrophobicContact CB-CE1 4.12Å; L156-Y160 HydrophobicContact CB-CE2 3.83Å; L156-Y160 VanDerWaalsContact O-CD1 3.26Å; L156-Y160 WeakPolarHBondContact O-CD1 3.38Å; L156-Y160 VanDerWaalsContact O-CD2 3.3Å; L156-Y160 WeakPolarHBondContact O-CD2 3.35Å; L156-Y160 PolarHBondContact O-N 3.37Å
157L98.3Very high96.3Very high0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-59.1-37.3173.9-65.9-163.9000112.3I152 S153 R154 H155 Y160 A161 L186 F187 H190 F193I152-L157 HydrophobicContact CG2-CD2 4.41Å; S153-L157 WeakPolarHBondContact O-CG 3.34Å; S153-L157 PolarHBondContact O-N 3.1Å; R154-L157 PolarHBondContact O-N 3.18Å; H155-L157 VanDerWaalsContact C-N 3.29Å; H155-L157 PolarHBondContact O-N 3.35Å; L157-Y160 HydrophobicContact CD2-CD2 3.88Å; L157-Y160 HydrophobicContact CD2-CE2 4.29Å; L157-Y160 PolarHBondContact O-N 3.2Å; L157-A161 WeakPolarHBondContact O-CB 3.18Å; L157-A161 PolarHBondContact O-N 2.91Å; L157-L186 HydrophobicContact CD1-CB 4.05Å; L157-L186 WeakPolarHBondContact CD1-O 3.4Å; L157-F187 HydrophobicContact CD1-CD1 4.04Å; L157-F187 HydrophobicContact CD1-CD2 4.41Å; L157-F187 HydrophobicContact CD1-CE1 4.27Å; L157-F187 HydrophobicContact CD1-CG 4.12Å; L157-F187 HydrophobicContact CD2-CD1 4.17Å; L157-F187 HydrophobicContact CD2-CD2 4.33Å; L157-F187 HydrophobicContact CD2-CE1 3.57Å; L157-F187 HydrophobicContact CD2-CE2 3.74Å; L157-F187 HydrophobicContact CD2-CZ 3.32Å; L157-F187 HydrophobicContact CG-CE1 4.5Å; L157-H190 HydrophobicContact CD1-CB 3.97Å; L157-F193 HydrophobicContact CB-CE2 4.19Å; L157-F193 WeakPolarHBondContact O-CE2 3.09Å
158A96.7Very high96.7Very high51 Ų5145.8 Ų45.842%0.42123%0.228SC..Hα-helixtrans-65.3-41.717600000111.6H155 L156 A161 Y162H155-A158 PolarHBondContact O-N 3.18Å; L156-A158 VanDerWaalsContact C-N 3.26Å; L156-A158 PolarHBondContact O-N 3.12Å; A158-A161 PolarHBondContact O-N 3.4Å; A158-Y162 PolarHBondContact O-N 2.84Å
159E97.8Very high97.1Very high58 Ų5839.5 Ų39.527%0.27120%0.202SC..Hα-helixtrans-64.2-41174.1-68.4-175.4-134.900111.9P122 L156 A161 Y162 V163P122-E159 VanDerWaalsContact CD-OE2 3.3Å; P122-E159 WeakPolarHBondContact CD-OE2 3.42Å; P122-E159 HydrophobicContact CG-CB 4.46Å; P122-E159 HydrophobicContact CG-CG 4.28Å; P122-E159 WeakPolarHBondContact CG-OE2 3.46Å; L156-E159 PolarHBondContact O-N 3.11Å; L156-E159 VanDerWaalsContact O-N 3.17Å; E159-A161 VanDerWaalsContact C-N 3.35Å; E159-Y162 WeakPolarHBondContact O-CB 3.48Å; E159-Y162 PolarHBondContact O-N 2.89Å; E159-Y162 VanDerWaalsContact O-N 3.16Å; E159-V163 PolarHBondContact O-N 3.27Å; E159-V163 VanDerWaalsContact O-N 3.09Å
160Y98.7Very high97.4Very high0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-64.2-42.3176.3-55.8-21.3000110.9L121 M133 F135 I151 I152 L156 L157 Y162 V163 L164 I170L121-Y160 HydrophobicContact CD2-CD1 3.51Å; L121-Y160 HydrophobicContact CD2-CE1 3.66Å; M133-Y160 HydrophobicContact CE-CD1 3.61Å; M133-Y160 HydrophobicContact CE-CE1 4.19Å; M133-Y160 HydrophobicContact CE-CG 3.95Å; F135-Y160 HydrophobicContact CE1-CE1 4.3Å; F135-Y160 AromaticContact CE1-CE2 3.94Å; F135-Y160 HydrophobicContact CE1-CE2 3.94Å; F135-Y160 AromaticContact CE1-CZ 3.68Å; F135-Y160 HydrophobicContact CE2-CD2 4.27Å; F135-Y160 HydrophobicContact CE2-CE2 4.16Å; F135-Y160 HydrophobicContact CZ-CD1 4.26Å; F135-Y160 AromaticContact CZ-CD2 3.86Å; F135-Y160 HydrophobicContact CZ-CD2 3.86Å; F135-Y160 AromaticContact CZ-CE1 3.9Å; F135-Y160 HydrophobicContact CZ-CE1 3.9Å; F135-Y160 AromaticContact CZ-CE2 3.46Å; F135-Y160 HydrophobicContact CZ-CE2 3.46Å; F135-Y160 VanDerWaalsContact CZ-CE2 3.46Å; F135-Y160 HydrophobicContact CZ-CG 4.25Å; F135-Y160 AromaticContact CZ-CZ 3.47Å; F135-Y160 VanDerWaalsContact CZ-CZ 3.47Å; I151-Y160 WeakPolarHBondContact CD1-OH 3.5Å; I151-Y160 WeakPolarHBondContact CG1-OH 3.32Å; I151-Y160 WeakPolarHBondContact O-CE2 3.25Å; I151-Y160 PolarHBondContact O-OH 3.27Å; I152-Y160 HydrophobicContact CD1-CE2 4.29Å; L156-Y160 HydrophobicContact CB-CE1 4.12Å; L156-Y160 HydrophobicContact CB-CE2 3.83Å; L156-Y160 VanDerWaalsContact O-CD1 3.26Å; L156-Y160 WeakPolarHBondContact O-CD1 3.38Å; L156-Y160 VanDerWaalsContact O-CD2 3.3Å; L156-Y160 WeakPolarHBondContact O-CD2 3.35Å; L156-Y160 PolarHBondContact O-N 3.37Å; L157-Y160 HydrophobicContact CD2-CD2 3.88Å; L157-Y160 HydrophobicContact CD2-CE2 4.29Å; L157-Y160 PolarHBondContact O-N 3.2Å; Y160-Y162 PolarHBondContact O-N 2.82Å; Y160-V163 WeakPolarHBondContact O-CG2 3.35Å; Y160-V163 PolarHBondContact O-N 3.2Å; Y160-L164 WeakPolarHBondContact O-CB 3.25Å; Y160-L164 PolarHBondContact O-N 3.4Å; Y160-I170 HydrophobicContact CD2-CD1 4.22Å; Y160-I170 HydrophobicContact CG-CD1 4.3Å
161A98.1Very high97.6Very high1 Ų136.9 Ų36.91%0.00819%0.192CC..Hα-helixtrans-65.5-27.4174.700000113L157 A158 E159 L192 F193 R234L157-A161 WeakPolarHBondContact O-CB 3.18Å; L157-A161 PolarHBondContact O-N 2.91Å; A158-A161 PolarHBondContact O-N 3.4Å; E159-A161 VanDerWaalsContact C-N 3.35Å; A161-L192 HydrophobicContact CB-CB 3.83Å; A161-L192 HydrophobicContact CB-CD1 3.58Å; A161-L192 HydrophobicContact CB-CG 4.35Å; A161-F193 HydrophobicContact CB-CE2 3.78Å; A161-F193 HydrophobicContact CB-CZ 3.74Å; A161-R234 PolarHBondContact O-NE 3.48Å; A161-R234 PolarHBondContact O-NH2 3Å
162Y97.7Very high97.7Very high110 Ų11035.7 Ų35.743%0.43119%0.186SC..Hα-helixtrans-70.3-48.5174.9173.9-98.1000111.6P122 K127 G128 A158 E159 Y160P122-Y162 HydrophobicContact CB-CD1 4.46Å; P122-Y162 HydrophobicContact CB-CE1 4.37Å; K127-Y162 CarbonylContact C-O 3.49Å; K127-Y162 VanDerWaalsContact CA-O 3.3Å; K127-Y162 WeakPolarHBondContact CA-O 3.48Å; K127-Y162 HydrophobicContact CB-CD2 4.34Å; K127-Y162 HydrophobicContact CB-CE1 4.41Å; K127-Y162 HydrophobicContact CB-CE2 3.8Å; K127-Y162 HydrophobicContact CD-CD2 4.48Å; K127-Y162 HydrophobicContact CD-CE2 4.16Å; K127-Y162 HydrophobicContact CG-CD2 4.12Å; K127-Y162 HydrophobicContact CG-CE2 3.96Å; G128-Y162 PolarHBondContact N-O 3.43Å; A158-Y162 PolarHBondContact O-N 2.84Å; E159-Y162 WeakPolarHBondContact O-CB 3.48Å; E159-Y162 PolarHBondContact O-N 2.89Å; E159-Y162 VanDerWaalsContact O-N 3.16Å; Y160-Y162 PolarHBondContact O-N 2.82Å
163V98.5Very high97.7Very high0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-79.2-21.9-178-60.10000113.7L121 F125 G128 Q129 L130 M133 E159 Y160L121-V163 HydrophobicContact CD2-CG2 4.03Å; F125-V163 HydrophobicContact CB-CB 4.12Å; F125-V163 HydrophobicContact CB-CG1 3.93Å; G128-V163 CarbonylContact C-O 3.57Å; Q129-V163 PolarHBondContact N-O 3.41Å; L130-V163 HydrophobicContact CD1-CB 4.21Å; L130-V163 HydrophobicContact CD1-CG2 3.79Å; L130-V163 PolarHBondContact N-O 2.94Å; M133-V163 HydrophobicContact CE-CG2 4.31Å; M133-V163 HydrophobicContact SD-CG2 4.11Å; E159-V163 PolarHBondContact O-N 3.27Å; E159-V163 VanDerWaalsContact O-N 3.09Å; Y160-V163 WeakPolarHBondContact O-CG2 3.35Å; Y160-V163 PolarHBondContact O-N 3.2Å
164L98.7Very high97.8Very high2 Ų234.3 Ų34.31%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-86.3133.3-178.5-156.375.2000111.6L130 M133 Y160 G168 I170 F193 R234L130-L164 HydrophobicContact CB-CD1 3.82Å; L130-L164 CarbonylContact O-C 3.54Å; L130-L164 WeakPolarHBondContact O-CA 3.47Å; L130-L164 VanDerWaalsContact O-CD1 3.26Å; L130-L164 WeakPolarHBondContact O-CD1 3.38Å; M133-L164 HydrophobicContact CG-CD1 3.8Å; M133-L164 HydrophobicContact SD-CD1 3.91Å; Y160-L164 WeakPolarHBondContact O-CB 3.25Å; Y160-L164 PolarHBondContact O-N 3.4Å; L164-G168 VanDerWaalsContact CD2-C 3.41Å; L164-G168 WeakPolarHBondContact CD2-O 3.29Å; L164-I170 HydrophobicContact CD2-CD1 4.34Å; L164-I170 HydrophobicContact CD2-CG1 3.73Å; L164-F193 HydrophobicContact CD2-CE1 4.23Å; L164-R234 HydrophobicContact CB-CB 4.48Å; L164-R234 HydrophobicContact CD2-CB 3.7Å; L164-R234 HydrophobicContact CG-CB 4.29Å
165A98.6Very high98Very high24 Ų2431.1 Ų31.120%0.19817%0.17CC..EExtended strand (participates in β ladder)trans-60151.7172.200000111G128 L130 G167 G168 R234G128-A165 WeakPolarHBondContact O-CA 3.18Å; G128-A165 VanDerWaalsContact O-CB 3.28Å; G128-A165 WeakPolarHBondContact O-CB 3.42Å; L130-A165 WeakPolarHBondContact O-CB 3.44Å; L130-A165 PolarHBondContact O-N 2.66Å; A165-G167 PolarHBondContact O-N 3.41Å; A165-G168 WeakPolarHBondContact O-CA 3.35Å; A165-G168 PolarHBondContact O-N 3.07Å; A165-R234 WeakPolarHBondContact O-CB 3.29Å; A165-R234 VanDerWaalsContact O-CG 3.28Å; A165-R234 WeakPolarHBondContact O-CG 3.45Å
166I98.5Very high98.2Very high107 Ų10724.6 Ų24.655%0.54914%0.141SC..EExtended strand (participates in β ladder)trans-57.2131.1165.1-66.7159.6000108.4G168 E236I166-G168 VanDerWaalsContact C-N 3.25Å; I166-G168 PolarHBondContact O-N 3.42Å; I166-E236 HydrophobicContact CD1-CG 3.61Å; I166-E236 HydrophobicContact CG1-CG 4.19Å; I166-E236 HydrophobicContact CG2-CG 4.06Å
167G98.5Very high98.1Very high33 Ų3326.4 Ų26.434%0.3415%0.154SC..EExtended strand (participates in β ladder)trans82.3-8-17300000115.2A165 R234A165-G167 PolarHBondContact O-N 3.41Å; G167-R234 WeakPolarHBondContact CA-O 3.37Å; G167-R234 PolarHBondContact N-O 2.96Å
168G98.6Very high98Very high5 Ų532.6 Ų32.65%0.05218%0.183CC..EExtended strand (participates in β ladder)trans-64.4158.6171.800000112K131 L164 A165 I166 K233 R234K131-G168 CarbonylContact O-C 3.49Å; K131-G168 WeakPolarHBondContact O-CA 3.34Å; L164-G168 VanDerWaalsContact CD2-C 3.41Å; L164-G168 WeakPolarHBondContact CD2-O 3.29Å; A165-G168 WeakPolarHBondContact O-CA 3.35Å; A165-G168 PolarHBondContact O-N 3.07Å; I166-G168 VanDerWaalsContact C-N 3.25Å; I166-G168 PolarHBondContact O-N 3.42Å; G168-K233 CarbonylContact O-C 3.56Å; G168-K233 WeakPolarHBondContact O-CA 3.5Å; G168-R234 PolarHBondContact O-N 3.06Å
169V98.7Very high98.1Very high13 Ų1330.2 Ų30.28%0.07916%0.163CC..EExtended strand (participates in β ladder)trans-126.1132.5-170-175.70000111.7K131 K132 M133 Y171 I196 A231 F232K131-V169 PolarHBondContact O-N 2.9Å; K132-V169 CarbonylContact C-O 3.51Å; K132-V169 VanDerWaalsContact CA-O 3.28Å; K132-V169 WeakPolarHBondContact CA-O 3.32Å; M133-V169 PolarHBondContact N-O 2.77Å; V169-Y171 HydrophobicContact CB-CD2 4.48Å; V169-Y171 HydrophobicContact CB-CE2 3.88Å; V169-Y171 HydrophobicContact CG1-CD2 3.9Å; V169-Y171 HydrophobicContact CG1-CE1 4.17Å; V169-Y171 HydrophobicContact CG1-CE2 3.47Å; V169-Y171 VanDerWaalsContact CG1-CE2 3.47Å; V169-Y171 HydrophobicContact CG1-CG 4.41Å; V169-I196 HydrophobicContact CG1-CD1 3.68Å; V169-I196 HydrophobicContact CG2-CD1 4.07Å; V169-A231 HydrophobicContact CG1-CB 3.97Å; V169-F232 WeakPolarHBondContact CA-O 3.2Å
170I98.9Very high98.1Very high0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-100.5127.5167.8-58.2-169.4000108.8M133 F135 Y160 L164 V172 F187 F193 A231 F232M133-I170 HydrophobicContact CB-CG1 4.2Å; M133-I170 CarbonylContact O-C 3.51Å; M133-I170 WeakPolarHBondContact O-CA 3.46Å; M133-I170 HydrophobicContact SD-CD1 4.19Å; M133-I170 HydrophobicContact SD-CG1 4.35Å; F135-I170 HydrophobicContact CD2-CG2 3.52Å; F135-I170 HydrophobicContact CE2-CD1 4.47Å; F135-I170 HydrophobicContact CE2-CG2 3.51Å; Y160-I170 HydrophobicContact CD2-CD1 4.22Å; Y160-I170 HydrophobicContact CG-CD1 4.3Å; L164-I170 HydrophobicContact CD2-CD1 4.34Å; L164-I170 HydrophobicContact CD2-CG1 3.73Å; I170-V172 HydrophobicContact CG2-CG2 4.19Å; I170-F187 HydrophobicContact CB-CE1 4.48Å; I170-F187 HydrophobicContact CB-CZ 4.31Å; I170-F187 HydrophobicContact CD1-CE1 3.99Å; I170-F187 HydrophobicContact CD1-CZ 4.06Å; I170-F187 HydrophobicContact CG2-CZ 3.92Å; I170-F193 HydrophobicContact CD1-CE1 3.7Å; I170-F193 HydrophobicContact CD1-CZ 3.69Å; I170-F193 HydrophobicContact CG1-CE1 4.16Å; I170-A231 CarbonylContact O-C 3.46Å; I170-A231 WeakPolarHBondContact O-CA 3.41Å; I170-F232 PolarHBondContact N-O 3.22Å; I170-F232 PolarHBondContact O-N 3.29Å
171Y98.8Very high98Very high7 Ų731.7 Ų31.73%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-106.9130.7173-65.1-90.7000110.1K132 M133 F134 F135 V169 L201 D204 L206 I210 L229 A231K132-Y171 HydrophobicContact CD-CE2 4.25Å; M133-Y171 PolarHBondContact O-N 3.39Å; F134-Y171 AromaticContact CD1-CD2 3.85Å; F134-Y171 HydrophobicContact CD1-CD2 3.85Å; F134-Y171 HydrophobicContact CD1-CG 4.01Å; F134-Y171 AromaticContact CE1-CD2 3.44Å; F134-Y171 HydrophobicContact CE1-CD2 3.44Å; F134-Y171 VanDerWaalsContact CE1-CD2 3.44Å; F134-Y171 HydrophobicContact CE1-CE2 4.01Å; F134-Y171 AromaticContact CE1-CG 3.84Å; F134-Y171 HydrophobicContact CE1-CG 3.84Å; F134-Y171 HydrophobicContact CZ-CD2 4.03Å; F134-Y171 HydrophobicContact CZ-CE2 4.29Å; F135-Y171 PolarHBondContact N-O 3.01Å; V169-Y171 HydrophobicContact CB-CD2 4.48Å; V169-Y171 HydrophobicContact CB-CE2 3.88Å; V169-Y171 HydrophobicContact CG1-CD2 3.9Å; V169-Y171 HydrophobicContact CG1-CE1 4.17Å; V169-Y171 HydrophobicContact CG1-CE2 3.47Å; V169-Y171 VanDerWaalsContact CG1-CE2 3.47Å; V169-Y171 HydrophobicContact CG1-CG 4.41Å; Y171-L201 HydrophobicContact CE1-CD2 4.34Å; Y171-D204 WeakPolarHBondContact CE1-OD2 3.34Å; Y171-D204 PolarHBondContact OH-OD2 3.06Å; Y171-L206 HydrophobicContact CE2-CD1 4.27Å; Y171-I210 HydrophobicContact CD1-CD1 3.4Å; Y171-I210 HydrophobicContact CD2-CD1 4.47Å; Y171-I210 HydrophobicContact CE1-CD1 3.78Å; Y171-I210 HydrophobicContact CG-CD1 3.77Å; Y171-L229 HydrophobicContact CD1-CD1 4.47Å; Y171-A231 HydrophobicContact CD1-CB 3.68Å; Y171-A231 HydrophobicContact CE1-CB 3.91Å; Y171-A231 HydrophobicContact CG-CB 4.35Å
172V98.6Very high97.9Very high0 Ų036.5 Ų36.50%019%0.191CC..EExtended strand (participates in β ladder)trans-122.5120.5175.2-175.20000108.6F135 I152 I170 Y179 I180 A183 F187 L229 A230 F232F135-V172 HydrophobicContact CB-CG2 4.38Å; F135-V172 WeakPolarHBondContact O-CA 3.37Å; I152-V172 HydrophobicContact CD1-CG2 4.18Å; I170-V172 HydrophobicContact CG2-CG2 4.19Å; V172-Y179 HydrophobicContact CG1-CE1 4.38Å; V172-I180 HydrophobicContact CB-CD1 4.26Å; V172-I180 HydrophobicContact CG1-CD1 4.02Å; V172-A183 HydrophobicContact CG1-CB 4.35Å; V172-F187 HydrophobicContact CG2-CE2 4.19Å; V172-L229 WeakPolarHBondContact O-CA 3.25Å; V172-A230 PolarHBondContact N-O 3.36Å; V172-A230 PolarHBondContact O-N 2.9Å; V172-F232 HydrophobicContact CB-CE2 4.38Å; V172-F232 HydrophobicContact CG2-CD2 4.35Å; V172-F232 HydrophobicContact CG2-CE2 3.91Å
173A98.4Very high97.9Very high0 Ų031.3 Ų31.30%017%0.171CC..EExtended strand (participates in β ladder)trans-121.4142.2173.500000110.6F135 L136 F137 P138 I210 L211 F228 L229F135-A173 PolarHBondContact O-N 3.12Å; F135-A173 VanDerWaalsContact O-N 3.11Å; L136-A173 HydrophobicContact CD2-CB 3.84Å; F137-A173 WeakPolarHBondContact CA-O 3.43Å; F137-A173 HydrophobicContact CE2-CB 4.42Å; F137-A173 PolarHBondContact N-O 2.81Å; P138-A173 WeakPolarHBondContact CD-O 3.43Å; A173-I210 HydrophobicContact CB-CG2 3.84Å; A173-L211 HydrophobicContact CB-CD2 4.23Å; A173-F228 VanDerWaalsContact CA-O 3.25Å; A173-F228 WeakPolarHBondContact CA-O 3.4Å; A173-L229 HydrophobicContact CB-CD1 4.28Å
174T97.9Very high97.9Very high0 Ų034.3 Ų34.30%018%0.182CC..EExtended strand (participates in β ladder)trans-159160.1178.2-177.30000110.6V176 Y179 I180 F228T174-V176 WeakPolarHBondContact CG2-O 3.03Å; T174-V176 PolarHBondContact OG1-N 3.39Å; T174-V176 VanDerWaalsContact OG1-N 3.14Å; T174-Y179 HydrophobicContact CG2-CD1 4.05Å; T174-I180 HydrophobicContact CG2-CB 3.74Å; T174-I180 HydrophobicContact CG2-CD1 4.22Å; T174-I180 HydrophobicContact CG2-CG1 4.49Å; T174-F228 HydrophobicContact CG2-CB 4.47Å; T174-F228 PolarHBondContact N-O 3.37Å; T174-F228 PolarHBondContact O-N 2.96Å
175D97Very high97.9Very high80 Ų8036.4 Ų36.443%0.42820%0.199SC..SBendtrans-93.43.2169.459-31.5000113.3F137 V220 N226F137-D175 HydrophobicContact CE1-CB 4.45Å; D175-V220 HydrophobicContact CB-CG1 4.04Å; D175-V220 HydrophobicContact CB-CG2 3.62Å; D175-N226 WeakPolarHBondContact CA-O 3.29Å; D175-N226 WeakPolarHBondContact CB-O 3.4Å
176V97Very high97.9Very high16 Ų1636.2 Ų36.210%0.09720%0.195CC..  trans-111.1111.7-176.7-177.50000110.4P140 F142 T174 E178 Y179 I180P140-V176 HydrophobicContact CB-CB 4.46Å; P140-V176 HydrophobicContact CB-CG1 4.28Å; P140-V176 HydrophobicContact CB-CG2 4.16Å; P140-V176 HydrophobicContact CG-CG2 4.13Å; F142-V176 HydrophobicContact CE1-CG1 3.7Å; F142-V176 HydrophobicContact CE1-CG2 4.39Å; F142-V176 HydrophobicContact CZ-CG1 4.18Å; F142-V176 HydrophobicContact CZ-CG2 4.02Å; T174-V176 WeakPolarHBondContact CG2-O 3.03Å; T174-V176 PolarHBondContact OG1-N 3.39Å; T174-V176 VanDerWaalsContact OG1-N 3.14Å; V176-E178 HydrophobicContact CG1-CB 4.46Å; V176-E178 PolarHBondContact O-N 3.47Å; V176-Y179 WeakPolarHBondContact O-CB 3.35Å; V176-Y179 PolarHBondContact O-N 3.21Å; V176-Y179 VanDerWaalsContact O-N 3.12Å; V176-I180 PolarHBondContact O-N 3.42Å; V176-I180 VanDerWaalsContact O-N 3.12Å
177S97Very high97.9Very high47 Ų4731.1 Ų31.133%0.32917%0.169SC..Hα-helixtrans-57.5-45.8-179.337.70000112.6Y179 I180 D181S177-Y179 PolarHBondContact O-N 2.83Å; S177-I180 WeakPolarHBondContact O-CG2 3.46Å; S177-I180 PolarHBondContact O-N 2.79Å; S177-I180 VanDerWaalsContact O-N 3.17Å; S177-D181 PolarHBondContact O-N 3.31Å
178E96.2Very high97.8Very high130 Ų13034.5 Ų34.561%0.60718%0.179SC*.Hα-helixtrans-65.3-27.1-178.7-60.789.4149.800111.5V176 W182V176-E178 HydrophobicContact CG1-CB 4.46Å; V176-E178 PolarHBondContact O-N 3.47Å; E178-W182 WeakPolarHBondContact O-CB 3.28Å; E178-W182 PolarHBondContact O-N 2.92Å; E178-W182 VanDerWaalsContact O-N 3.12Å
179Y97.2Very high97.8Very high1 Ų139.8 Ų39.80%0.00420%0.203CC..Hα-helixtrans-77.6-41176.5-170.5-86000111.7P138 P140 R150 I152 V172 T174 V176 S177 D181 W182 A183P138-Y179 HydrophobicContact CB-CE1 4.39Å; P138-Y179 HydrophobicContact CG-CD1 4.12Å; P138-Y179 HydrophobicContact CG-CE1 3.28Å; P138-Y179 HydrophobicContact CG-CE2 4.41Å; P138-Y179 VanDerWaalsContact CG-CZ 3.45Å; P138-Y179 WeakPolarHBondContact CG-OH 3.1Å; P140-Y179 HydrophobicContact CB-CD2 3.98Å; P140-Y179 HydrophobicContact CB-CG 4.46Å; R150-Y179 HydrophobicContact CB-CE2 4.45Å; R150-Y179 HydrophobicContact CG-CE2 4.02Å; I152-Y179 HydrophobicContact CG1-CE1 4.36Å; I152-Y179 WeakPolarHBondContact CG1-OH 3.44Å; V172-Y179 HydrophobicContact CG1-CE1 4.38Å; T174-Y179 HydrophobicContact CG2-CD1 4.05Å; V176-Y179 WeakPolarHBondContact O-CB 3.35Å; V176-Y179 PolarHBondContact O-N 3.21Å; V176-Y179 VanDerWaalsContact O-N 3.12Å; S177-Y179 PolarHBondContact O-N 2.83Å; Y179-D181 VanDerWaalsContact C-N 3.35Å; Y179-W182 WeakPolarHBondContact O-CB 3.5Å; Y179-W182 PolarHBondContact O-N 2.96Å; Y179-A183 WeakPolarHBondContact O-CB 3.49Å; Y179-A183 PolarHBondContact O-N 3.27Å
180I97.9Very high97.7Very high1 Ų140.3 Ų40.31%0.00520%0.204CC..Hα-helixtrans-67.9-38.6177.4-161.665.6000111.1V172 T174 V176 S177 W182 A183 R184 F228 A230V172-I180 HydrophobicContact CB-CD1 4.26Å; V172-I180 HydrophobicContact CG1-CD1 4.02Å; T174-I180 HydrophobicContact CG2-CB 3.74Å; T174-I180 HydrophobicContact CG2-CD1 4.22Å; T174-I180 HydrophobicContact CG2-CG1 4.49Å; V176-I180 PolarHBondContact O-N 3.42Å; V176-I180 VanDerWaalsContact O-N 3.12Å; S177-I180 WeakPolarHBondContact O-CG2 3.46Å; S177-I180 PolarHBondContact O-N 2.79Å; S177-I180 VanDerWaalsContact O-N 3.17Å; I180-W182 VanDerWaalsContact C-N 3.34Å; I180-A183 PolarHBondContact O-N 3.48Å; I180-R184 WeakPolarHBondContact O-CB 3.39Å; I180-R184 WeakPolarHBondContact O-CG 3.42Å; I180-R184 PolarHBondContact O-N 2.99Å; I180-F228 HydrophobicContact CB-CB 3.87Å; I180-F228 HydrophobicContact CG1-CB 3.92Å; I180-F228 HydrophobicContact CG2-CB 3.63Å; I180-F228 HydrophobicContact CG2-CD1 4.28Å; I180-F228 HydrophobicContact CG2-CD2 4.37Å; I180-F228 HydrophobicContact CG2-CG 3.84Å; I180-A230 HydrophobicContact CD1-CB 3.69Å; I180-A230 HydrophobicContact CG1-CB 4.14Å
181D97.6Very high97.6Very high88 Ų8843.7 Ų43.747%0.47123%0.226SC..Hα-helixtrans-66.6-40.3177.3-67.1-23.4000110.8S177 Y179 R184 A185S177-D181 PolarHBondContact O-N 3.31Å; Y179-D181 VanDerWaalsContact C-N 3.35Å; D181-R184 PolarHBondContact O-N 2.82Å; D181-R184 IonicContact OD1-NH1 2.64Å; D181-A185 WeakPolarHBondContact O-CB 3.47Å; D181-A185 PolarHBondContact O-N 3.2Å
182W96.4Very high97.6Very high103 Ų10344.5 Ų44.539%0.3923%0.231SC..Hα-helixtrans-58.6-46.4171.1175.2-85.9000112.4R150 E178 Y179 I180 A185 L186R150-W182 VanDerWaalsContact NH1-CE2 3.34Å; R150-W182 VanDerWaalsContact NH1-CG 3.31Å; E178-W182 WeakPolarHBondContact O-CB 3.28Å; E178-W182 PolarHBondContact O-N 2.92Å; E178-W182 VanDerWaalsContact O-N 3.12Å; Y179-W182 WeakPolarHBondContact O-CB 3.5Å; Y179-W182 PolarHBondContact O-N 2.96Å; I180-W182 VanDerWaalsContact C-N 3.34Å; W182-A185 PolarHBondContact O-N 3.29Å; W182-L186 HydrophobicContact CZ2-CD1 4.33Å; W182-L186 PolarHBondContact O-N 2.98Å; W182-L186 VanDerWaalsContact O-N 3.12Å
183A98Very high97.6Very high0 Ų045 Ų450%023%0.233CC..Hα-helixtrans-61.6-49177.400000110.8I152 V172 Y179 I180 A185 L186 F187I152-A183 HydrophobicContact CG2-CB 4.02Å; V172-A183 HydrophobicContact CG1-CB 4.35Å; Y179-A183 WeakPolarHBondContact O-CB 3.49Å; Y179-A183 PolarHBondContact O-N 3.27Å; I180-A183 PolarHBondContact O-N 3.48Å; A183-A185 VanDerWaalsContact C-N 3.34Å; A183-A185 PolarHBondContact O-N 3.27Å; A183-L186 PolarHBondContact O-N 2.92Å; A183-F187 VanDerWaalsContact O-CD2 3.28Å; A183-F187 WeakPolarHBondContact O-CD2 3.35Å; A183-F187 PolarHBondContact O-N 3.4Å
184R98.4Very high97.6Very high64 Ų6447.5 Ų47.524%0.24225%0.25CS..Hα-helixtrans-55-46.9177-76.6172.5167.4165.5-11.3112I180 D181 L186 F187 N188 D198 A230 F232I180-R184 WeakPolarHBondContact O-CB 3.39Å; I180-R184 WeakPolarHBondContact O-CG 3.42Å; I180-R184 PolarHBondContact O-N 2.99Å; D181-R184 PolarHBondContact O-N 2.82Å; D181-R184 IonicContact OD1-NH1 2.64Å; R184-L186 PolarHBondContact O-N 3.35Å; R184-F187 PolarHBondContact O-N 2.66Å; R184-N188 VanDerWaalsContact O-CB 3.28Å; R184-N188 WeakPolarHBondContact O-CB 3.44Å; R184-N188 PolarHBondContact O-N 2.9Å; R184-N188 PolarHBondContact O-ND2 3.39Å; R184-D198 IonicContact NH2-OD1 3.39Å; R184-D198 PolarHBondContact NH2-OD1 3.38Å; R184-D198 VanDerWaalsContact NH2-OD1 3.07Å; R184-D198 IonicContact NH2-OD2 2.66Å; R184-D198 PolarHBondContact NH2-OD2 3.42Å; R184-A230 HydrophobicContact CG-CB 4.13Å; R184-F232 HydrophobicContact CG-CE1 4.35Å; R184-F232 HydrophobicContact CG-CZ 4.08Å
185A98Very high97.6Very high45 Ų4549.8 Ų49.837%0.37227%0.266SS..Hα-helixtrans-58.5-49.6177.500000111.8D181 W182 A183 F187 N188 E189D181-A185 WeakPolarHBondContact O-CB 3.47Å; D181-A185 PolarHBondContact O-N 3.2Å; W182-A185 PolarHBondContact O-N 3.29Å; A183-A185 VanDerWaalsContact C-N 3.34Å; A183-A185 PolarHBondContact O-N 3.27Å; A185-F187 PolarHBondContact O-N 3.04Å; A185-N188 PolarHBondContact O-N 3.44Å; A185-E189 WeakPolarHBondContact O-CB 3.49Å; A185-E189 VanDerWaalsContact O-CG 3.31Å; A185-E189 WeakPolarHBondContact O-CG 3.28Å; A185-E189 PolarHBondContact O-N 3.27Å
186L98.1Very high97.7Very high21 Ų2147.3 Ų47.311%0.1125%0.252CS..Hα-helixtrans-61.9-41.5179.4-73.6179.6000113.1I152 R154 L157 W182 A183 R184 H190I152-L186 HydrophobicContact CG2-CD1 4.15Å; R154-L186 HydrophobicContact CB-CD2 4.35Å; L157-L186 HydrophobicContact CD1-CB 4.05Å; L157-L186 WeakPolarHBondContact CD1-O 3.4Å; W182-L186 HydrophobicContact CZ2-CD1 4.33Å; W182-L186 PolarHBondContact O-N 2.98Å; W182-L186 VanDerWaalsContact O-N 3.12Å; A183-L186 PolarHBondContact O-N 2.92Å; R184-L186 PolarHBondContact O-N 3.35Å; L186-H190 WeakPolarHBondContact O-CB 3.32Å; L186-H190 PolarHBondContact O-N 3.09Å
187F98.5Very high97.7Very high0 Ų049.3 Ų49.30%027%0.266CS..Hα-helixtrans-69.9-40.7178.5-86.8-77.2000112.3I152 L157 I170 V172 A183 R184 A185 E189 H190 F193 F232I152-F187 HydrophobicContact CD1-CE2 4.3Å; I152-F187 HydrophobicContact CG2-CD2 4.48Å; I152-F187 HydrophobicContact CG2-CE2 4.01Å; L157-F187 HydrophobicContact CD1-CD1 4.04Å; L157-F187 HydrophobicContact CD1-CD2 4.41Å; L157-F187 HydrophobicContact CD1-CE1 4.27Å; L157-F187 HydrophobicContact CD1-CG 4.12Å; L157-F187 HydrophobicContact CD2-CD1 4.17Å; L157-F187 HydrophobicContact CD2-CD2 4.33Å; L157-F187 HydrophobicContact CD2-CE1 3.57Å; L157-F187 HydrophobicContact CD2-CE2 3.74Å; L157-F187 HydrophobicContact CD2-CZ 3.32Å; L157-F187 HydrophobicContact CG-CE1 4.5Å; I170-F187 HydrophobicContact CB-CE1 4.48Å; I170-F187 HydrophobicContact CB-CZ 4.31Å; I170-F187 HydrophobicContact CD1-CE1 3.99Å; I170-F187 HydrophobicContact CD1-CZ 4.06Å; I170-F187 HydrophobicContact CG2-CZ 3.92Å; V172-F187 HydrophobicContact CG2-CE2 4.19Å; A183-F187 VanDerWaalsContact O-CD2 3.28Å; A183-F187 WeakPolarHBondContact O-CD2 3.35Å; A183-F187 PolarHBondContact O-N 3.4Å; R184-F187 PolarHBondContact O-N 2.66Å; A185-F187 PolarHBondContact O-N 3.04Å; F187-E189 VanDerWaalsContact C-N 3.26Å; F187-E189 PolarHBondContact O-N 2.61Å; F187-H190 PolarHBondContact O-N 3.48Å; F187-H190 VanDerWaalsContact O-N 3.11Å; F187-F193 HydrophobicContact CD1-CB 3.84Å; F187-F193 HydrophobicContact CD1-CD1 4.18Å; F187-F193 AromaticContact CD1-CD2 3.7Å; F187-F193 HydrophobicContact CD1-CD2 3.7Å; F187-F193 HydrophobicContact CD1-CE2 4.3Å; F187-F193 AromaticContact CD1-CG 3.64Å; F187-F193 HydrophobicContact CD1-CG 3.64Å; F187-F193 HydrophobicContact CE1-CD1 4.07Å; F187-F193 AromaticContact CE1-CD2 3.83Å; F187-F193 HydrophobicContact CE1-CD2 3.83Å; F187-F193 HydrophobicContact CE1-CE1 4.2Å; F187-F193 AromaticContact CE1-CE2 3.95Å; F187-F193 HydrophobicContact CE1-CE2 3.95Å; F187-F193 AromaticContact CE1-CG 3.89Å; F187-F193 HydrophobicContact CE1-CG 3.89Å; F187-F193 HydrophobicContact CE1-CZ 4.14Å; F187-F232 HydrophobicContact CB-CD1 3.27Å; F187-F232 HydrophobicContact CB-CD2 4.28Å; F187-F232 HydrophobicContact CB-CE1 3.35Å; F187-F232 HydrophobicContact CB-CE2 4.35Å; F187-F232 HydrophobicContact CB-CG 3.77Å; F187-F232 HydrophobicContact CB-CZ 3.9Å; F187-F232 HydrophobicContact CD1-CB 3.6Å; F187-F232 AromaticContact CD1-CD1 3.93Å; F187-F232 HydrophobicContact CD1-CD1 3.93Å; F187-F232 AromaticContact CD1-CD2 3.83Å; F187-F232 HydrophobicContact CD1-CD2 3.83Å; F187-F232 HydrophobicContact CD1-CE2 4.5Å; F187-F232 AromaticContact CD1-CG 3.49Å; F187-F232 HydrophobicContact CD1-CG 3.49Å; F187-F232 VanDerWaalsContact CD1-CG 3.49Å; F187-F232 HydrophobicContact CD2-CD1 4.03Å; F187-F232 AromaticContact CD2-CD2 3.42Å; F187-F232 HydrophobicContact CD2-CD2 3.42Å; F187-F232 VanDerWaalsContact CD2-CD2 3.42Å; F187-F232 AromaticContact CD2-CE1 3.92Å; F187-F232 HydrophobicContact CD2-CE1 3.92Å; F187-F232 AromaticContact CD2-CE2 3.3Å; F187-F232 HydrophobicContact CD2-CE2 3.3Å; F187-F232 AromaticContact CD2-CG 3.79Å; F187-F232 HydrophobicContact CD2-CG 3.79Å; F187-F232 AromaticContact CD2-CZ 3.55Å; F187-F232 HydrophobicContact CD2-CZ 3.55Å; F187-F232 HydrophobicContact CE1-CB 3.87Å; F187-F232 AromaticContact CE1-CD2 3.92Å; F187-F232 HydrophobicContact CE1-CD2 3.92Å; F187-F232 AromaticContact CE1-CG 3.94Å; F187-F232 HydrophobicContact CE1-CG 3.94Å; F187-F232 AromaticContact CE2-CD2 3.54Å; F187-F232 HydrophobicContact CE2-CD2 3.54Å; F187-F232 AromaticContact CE2-CE2 3.6Å; F187-F232 HydrophobicContact CE2-CE2 3.6Å; F187-F232 HydrophobicContact CE2-CG 4.22Å; F187-F232 HydrophobicContact CE2-CZ 4.3Å; F187-F232 HydrophobicContact CG-CB 4.06Å; F187-F232 AromaticContact CG-CD1 3.5Å; F187-F232 HydrophobicContact CG-CD1 3.5Å; F187-F232 VanDerWaalsContact CG-CD1 3.5Å; F187-F232 AromaticContact CG-CD2 3.58Å; F187-F232 HydrophobicContact CG-CD2 3.58Å; F187-F232 AromaticContact CG-CE1 3.73Å; F187-F232 HydrophobicContact CG-CE1 3.73Å; F187-F232 AromaticContact CG-CE2 3.82Å; F187-F232 HydrophobicContact CG-CE2 3.82Å; F187-F232 AromaticContact CG-CG 3.4Å; F187-F232 HydrophobicContact CG-CG 3.4Å; F187-F232 VanDerWaalsContact CG-CG 3.4Å; F187-F232 AromaticContact CG-CZ 3.88Å; F187-F232 HydrophobicContact CG-CZ 3.88Å; F187-F232 AromaticContact CZ-CD2 3.79Å; F187-F232 HydrophobicContact CZ-CD2 3.79Å; F187-F232 HydrophobicContact CZ-CE2 4.31Å; F187-F232 HydrophobicContact CZ-CG 4.29Å
188N97.7Very high97.6Very high104 Ų10450.7 Ų50.756%0.55627%0.269SS*.Hα-helixtrans-66.6-28.6177.5-72.6-20.3000112.7R184 A185 H190 S195R184-N188 VanDerWaalsContact O-CB 3.28Å; R184-N188 WeakPolarHBondContact O-CB 3.44Å; R184-N188 PolarHBondContact O-N 2.9Å; R184-N188 PolarHBondContact O-ND2 3.39Å; A185-N188 PolarHBondContact O-N 3.44Å; N188-H190 VanDerWaalsContact C-N 3.33Å; N188-S195 PolarHBondContact OD1-OG 3.29Å
189E97.5Very high97.5Very high116 Ų11651.3 Ų51.354%0.54227%0.272SS..THydrogen-bonded Turntrans-79.7-13.3173.7-72.4174.3-170.800113.4R154 A185 F187R154-E189 IonicContact CZ-OE2 3.81Å; R154-E189 IonicContact NH2-OE2 2.69Å; R154-E189 PolarHBondContact NH2-OE2 2.96Å; A185-E189 WeakPolarHBondContact O-CB 3.49Å; A185-E189 VanDerWaalsContact O-CG 3.31Å; A185-E189 WeakPolarHBondContact O-CG 3.28Å; A185-E189 PolarHBondContact O-N 3.27Å; F187-E189 VanDerWaalsContact C-N 3.26Å; F187-E189 PolarHBondContact O-N 2.61Å
190H97.6Very high97.5Very high23 Ų2357 Ų5711%0.10630%0.299CS..  trans-94.2121-173.2-166.2-76.5000111.1L157 L186 F187 N188 L192 F193L157-H190 HydrophobicContact CD1-CB 3.97Å; L186-H190 WeakPolarHBondContact O-CB 3.32Å; L186-H190 PolarHBondContact O-N 3.09Å; F187-H190 PolarHBondContact O-N 3.48Å; F187-H190 VanDerWaalsContact O-N 3.11Å; N188-H190 VanDerWaalsContact C-N 3.33Å; H190-L192 PolarHBondContact ND1-N 3.4Å; H190-L192 PolarHBondContact O-N 2.85Å; H190-F193 HydrophobicContact CB-CD2 4.23Å; H190-F193 AromaticContact CG-CD2 3.98Å; H190-F193 AromaticContact ND1-CD2 3.52Å; H190-F193 AromaticContact ND1-CE2 3.95Å; H190-F193 PolarHBondContact O-N 3.13Å; H190-F193 VanDerWaalsContact O-N 3.12Å
191P97Very high97.3Very high71 Ų7157 Ų5746%0.46130%0.299SS..THydrogen-bonded Turntrans-65.1-21.3-169.425.2-35.1000114.4F193 P238P191-F193 VanDerWaalsContact C-N 3.35Å; P191-P238 HydrophobicContact CB-CG 4.1Å
192L97.9Very high97.2Very high24 Ų2457.1 Ų57.113%0.12630%0.303CS..THydrogen-bonded Turntrans-89.24.5-178.7-54.2-176.9000114.2A161 H190 R234 V235 D237A161-L192 HydrophobicContact CB-CB 3.83Å; A161-L192 HydrophobicContact CB-CD1 3.58Å; A161-L192 HydrophobicContact CB-CG 4.35Å; H190-L192 PolarHBondContact ND1-N 3.4Å; H190-L192 PolarHBondContact O-N 2.85Å; L192-R234 WeakPolarHBondContact O-CA 3.06Å; L192-R234 WeakPolarHBondContact O-CD 3.39Å; L192-V235 PolarHBondContact O-N 3.47Å; L192-D237 HydrophobicContact CD2-CB 3.78Å
193F98.5Very high97.1Very high11 Ų1156.9 Ų56.95%0.04832%0.317CS..EExtended strand (participates in β ladder)trans-131.5149.2178.4-66.9-72.8000112.2L157 A161 L164 I170 F187 H190 P191 F232 K233 R234L157-F193 HydrophobicContact CB-CE2 4.19Å; L157-F193 WeakPolarHBondContact O-CE2 3.09Å; A161-F193 HydrophobicContact CB-CE2 3.78Å; A161-F193 HydrophobicContact CB-CZ 3.74Å; L164-F193 HydrophobicContact CD2-CE1 4.23Å; I170-F193 HydrophobicContact CD1-CE1 3.7Å; I170-F193 HydrophobicContact CD1-CZ 3.69Å; I170-F193 HydrophobicContact CG1-CE1 4.16Å; F187-F193 HydrophobicContact CD1-CB 3.84Å; F187-F193 HydrophobicContact CD1-CD1 4.18Å; F187-F193 AromaticContact CD1-CD2 3.7Å; F187-F193 HydrophobicContact CD1-CD2 3.7Å; F187-F193 HydrophobicContact CD1-CE2 4.3Å; F187-F193 AromaticContact CD1-CG 3.64Å; F187-F193 HydrophobicContact CD1-CG 3.64Å; F187-F193 HydrophobicContact CE1-CD1 4.07Å; F187-F193 AromaticContact CE1-CD2 3.83Å; F187-F193 HydrophobicContact CE1-CD2 3.83Å; F187-F193 HydrophobicContact CE1-CE1 4.2Å; F187-F193 AromaticContact CE1-CE2 3.95Å; F187-F193 HydrophobicContact CE1-CE2 3.95Å; F187-F193 AromaticContact CE1-CG 3.89Å; F187-F193 HydrophobicContact CE1-CG 3.89Å; F187-F193 HydrophobicContact CE1-CZ 4.14Å; H190-F193 HydrophobicContact CB-CD2 4.23Å; H190-F193 AromaticContact CG-CD2 3.98Å; H190-F193 AromaticContact ND1-CD2 3.52Å; H190-F193 AromaticContact ND1-CE2 3.95Å; H190-F193 PolarHBondContact O-N 3.13Å; H190-F193 VanDerWaalsContact O-N 3.12Å; P191-F193 VanDerWaalsContact C-N 3.35Å; F193-F232 HydrophobicContact CB-CB 4.48Å; F193-F232 HydrophobicContact CD1-CB 4.34Å; F193-K233 WeakPolarHBondContact CA-O 3.47Å; F193-R234 HydrophobicContact CD1-CB 4.36Å; F193-R234 HydrophobicContact CE1-CB 4.08Å
194C97.9Very high97Very high53 Ų5358.4 Ų58.436%0.35833%0.325SS..EExtended strand (participates in β ladder)trans-126.8145.2163.668.90000110.3F232 K233 V235C194-F232 CarbonylContact O-C 3.59Å; C194-F232 VanDerWaalsContact O-CA 3.3Å; C194-F232 WeakPolarHBondContact O-CA 3.44Å; C194-K233 PolarHBondContact N-O 3.5Å; C194-K233 PolarHBondContact O-N 3.27Å; C194-V235 HydrophobicContact CB-CG1 4.02Å; C194-V235 WeakPolarHBondContact SG-CG1 3.42Å
195S98.3Very high96.8Very high47 Ų4760.9 Ų60.933%0.32935%0.349SS..EExtended strand (participates in β ladder)trans-69.1134.7175.1-75.60000110.9N188 F232N188-S195 PolarHBondContact OD1-OG 3.29Å; S195-F232 WeakPolarHBondContact OG-CD1 3.37Å; S195-F232 WeakPolarHBondContact OG-CE1 3.44Å
196I98.2Very high96.7Very high28 Ų2858.9 Ų58.914%0.14433%0.333CS..EExtended strand (participates in β ladder)trans-81.6128.1167.7-60.6-178.9000107.5V169 Q200 L201 A231 K233V169-I196 HydrophobicContact CG1-CD1 3.68Å; V169-I196 HydrophobicContact CG2-CD1 4.07Å; I196-Q200 HydrophobicContact CG2-CB 3.94Å; I196-L201 HydrophobicContact CB-CD2 4.45Å; I196-L201 HydrophobicContact CG2-CD2 3.98Å; I196-L201 HydrophobicContact CG2-CG 4.09Å; I196-A231 HydrophobicContact CB-CB 4.26Å; I196-A231 HydrophobicContact CD1-CB 3.99Å; I196-A231 HydrophobicContact CG1-CB 4.43Å; I196-A231 PolarHBondContact N-O 2.98Å; I196-K233 HydrophobicContact CD1-CB 4.23Å; I196-K233 HydrophobicContact CG1-CB 4.11Å
197P97Very high96.7Very high58 Ų5862 Ų6238%0.37734%0.343SS..PPolyproline II helixtrans-59144.2-179.4-24.533.8000113.4E199 Q200 L201P197-E199 VanDerWaalsContact CB-OE2 3.28Å; P197-E199 WeakPolarHBondContact CB-OE2 3.33Å; P197-E199 PolarHBondContact O-N 3.05Å; P197-Q200 PolarHBondContact O-N 2.79Å; P197-L201 PolarHBondContact O-N 3.38Å
198D95Very high96.6Very high76 Ų7667 Ų6741%0.40637%0.37SS..Hα-helixtrans-61.4-27.3-177.7-76.2-6.9000111.9R184 L201 T202R184-D198 IonicContact NH2-OD1 3.39Å; R184-D198 PolarHBondContact NH2-OD1 3.38Å; R184-D198 VanDerWaalsContact NH2-OD1 3.07Å; R184-D198 IonicContact NH2-OD2 2.66Å; R184-D198 PolarHBondContact NH2-OD2 3.42Å; D198-L201 CarbonylContact O-C 3.57Å; D198-L201 PolarHBondContact O-N 3.35Å; D198-T202 PolarHBondContact O-N 3.31Å; D198-T202 PolarHBondContact O-OG1 3.33Å
199E95Very high96.6Very high143 Ų14363.7 Ų63.767%0.66835%0.351SS*.Hα-helixtrans-64.3-42.2174.7-6073.9-159.900111.5P197 L201 T202P197-E199 VanDerWaalsContact CB-OE2 3.28Å; P197-E199 WeakPolarHBondContact CB-OE2 3.33Å; P197-E199 PolarHBondContact O-N 3.05Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-T202 WeakPolarHBondContact O-CB 3.37Å; E199-T202 PolarHBondContact O-N 3.38Å
200Q96.1Very high96.6Very high120 Ų12058.1 Ų58.156%0.56133%0.326SS*.Hα-helixtrans-69.2-34.5175.7-64.4-174.318.700111.2I196 P197 T202 S203 D204I196-Q200 HydrophobicContact CG2-CB 3.94Å; P197-Q200 PolarHBondContact O-N 2.79Å; Q200-T202 PolarHBondContact O-N 3.03Å; Q200-S203 PolarHBondContact O-N 3.09Å; Q200-S203 PolarHBondContact O-OG 3.43Å; Q200-D204 PolarHBondContact O-N 2.97Å; Q200-D204 VanDerWaalsContact O-N 3.1Å
201L95.3Very high96.6Very high2 Ų258 Ų581%0.0133%0.326CS..Hα-helixtrans-71.6-17.5174.8-62.8176.6000113.4Y171 I196 P197 D198 E199 R207 A231Y171-L201 HydrophobicContact CE1-CD2 4.34Å; I196-L201 HydrophobicContact CB-CD2 4.45Å; I196-L201 HydrophobicContact CG2-CD2 3.98Å; I196-L201 HydrophobicContact CG2-CG 4.09Å; P197-L201 PolarHBondContact O-N 3.38Å; D198-L201 CarbonylContact O-C 3.57Å; D198-L201 PolarHBondContact O-N 3.35Å; E199-L201 VanDerWaalsContact C-N 3.32Å; L201-R207 VanDerWaalsContact O-CD 3.29Å; L201-R207 WeakPolarHBondContact O-CD 3.47Å; L201-R207 PolarHBondContact O-NH1 3.43Å; L201-A231 HydrophobicContact CD1-CB 4.05Å; L201-A231 HydrophobicContact CD2-CB 3.53Å; L201-A231 HydrophobicContact CG-CB 4.4Å
202T94.4Very high96.6Very high91 Ų9157.1 Ų57.156%0.55832%0.317SS*.Hα-helixtrans-74.7-33.7175.4-60.70000111.1D198 E199 Q200D198-T202 PolarHBondContact O-N 3.31Å; D198-T202 PolarHBondContact O-OG1 3.33Å; E199-T202 WeakPolarHBondContact O-CB 3.37Å; E199-T202 PolarHBondContact O-N 3.38Å; Q200-T202 PolarHBondContact O-N 3.03Å
203S94.4Very high96.5Very high98 Ų9856.8 Ų56.869%0.68532%0.316SS*.Hα-helixtrans-94.4-4.1175.855.20000114.5Q200 P205Q200-S203 PolarHBondContact O-N 3.09Å; Q200-S203 PolarHBondContact O-OG 3.43Å; S203-P205 WeakPolarHBondContact O-CD 3.44Å
204D95.4Very high96.3Very high32 Ų3257.1 Ų57.117%0.17132%0.319CS..  trans-63.3121.1177.3-171.6-29.1000110.7Y171 Q200 L206 R207Y171-D204 WeakPolarHBondContact CE1-OD2 3.34Å; Y171-D204 PolarHBondContact OH-OD2 3.06Å; Q200-D204 PolarHBondContact O-N 2.97Å; Q200-D204 VanDerWaalsContact O-N 3.1Å; D204-L206 PolarHBondContact O-N 2.84Å; D204-L206 VanDerWaalsContact O-N 3.11Å; D204-L206 VanDerWaalsContact OD1-CB 3.32Å; D204-L206 WeakPolarHBondContact OD1-CB 3.17Å; D204-L206 PolarHBondContact OD1-N 3.36Å; D204-R207 WeakPolarHBondContact O-CB 3.45Å; D204-R207 PolarHBondContact O-N 3.2Å
205P94.6Very high96Very high115 Ų11557 Ų5775%0.74731%0.314SS*.THydrogen-bonded Turntrans-61.2-20.1179.625.6-35.5000113.7S203 R207S203-P205 WeakPolarHBondContact O-CD 3.44Å; P205-R207 VanDerWaalsContact C-N 3.34Å
206L96.7Very high95.8Very high4 Ų458.5 Ų58.52%0.02132%0.315CS..THydrogen-bonded Turntrans-79.8-15.1175.8-62.7-180000113.3L71 L74 Y75 K132 F134 Y171 D204 D208 I209 I210L71-L206 HydrophobicContact CD2-CD2 3.9Å; L74-L206 HydrophobicContact CD1-CD2 3.99Å; Y75-L206 HydrophobicContact CE2-CD2 4Å; K132-L206 HydrophobicContact CD-CD1 4.12Å; F134-L206 HydrophobicContact CE1-CD1 4.45Å; F134-L206 HydrophobicContact CZ-CD1 4.17Å; Y171-L206 HydrophobicContact CE2-CD1 4.27Å; D204-L206 PolarHBondContact O-N 2.84Å; D204-L206 VanDerWaalsContact O-N 3.11Å; D204-L206 VanDerWaalsContact OD1-CB 3.32Å; D204-L206 WeakPolarHBondContact OD1-CB 3.17Å; D204-L206 PolarHBondContact OD1-N 3.36Å; L206-D208 PolarHBondContact O-N 3.39Å; L206-I209 PolarHBondContact O-N 2.97Å; L206-I209 VanDerWaalsContact O-N 3.13Å; L206-I210 HydrophobicContact CB-CD1 3.74Å; L206-I210 HydrophobicContact CB-CG1 4.23Å; L206-I210 WeakPolarHBondContact O-CB 3.27Å; L206-I210 VanDerWaalsContact O-CG1 3.25Å; L206-I210 WeakPolarHBondContact O-CG1 3.47Å; L206-I210 PolarHBondContact O-N 2.91Å
207R97.3Very high95.6Very high86 Ų8657.1 Ų57.133%0.32531%0.309SS..Hα-helixtrans-51.3-52.7-172.9-176.8-165.9-177.682.8-1.1112.3L201 D204 P205 I209 I210 L211 L229L201-R207 VanDerWaalsContact O-CD 3.29Å; L201-R207 WeakPolarHBondContact O-CD 3.47Å; L201-R207 PolarHBondContact O-NH1 3.43Å; D204-R207 WeakPolarHBondContact O-CB 3.45Å; D204-R207 PolarHBondContact O-N 3.2Å; P205-R207 VanDerWaalsContact C-N 3.34Å; R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.42Å; R207-I210 PolarHBondContact O-N 3.3Å; R207-L211 HydrophobicContact CG-CD1 4.11Å; R207-L211 WeakPolarHBondContact O-CG 3.49Å; R207-L211 PolarHBondContact O-N 3Å; R207-L211 VanDerWaalsContact O-N 3.09Å; R207-L229 HydrophobicContact CB-CD2 4.48Å; R207-L229 HydrophobicContact CG-CD2 3.94Å
208D96.7Very high95.6Very high106 Ų10657.8 Ų57.857%0.56731%0.307SS*.Hα-helixtrans-63.2-43.5-177.3-175.863.5000111.4L206 I210 L211 N212L206-D208 PolarHBondContact O-N 3.39Å; D208-I210 PolarHBondContact O-N 2.91Å; D208-L211 PolarHBondContact O-N 3.25Å; D208-N212 VanDerWaalsContact O-CB 3.26Å; D208-N212 WeakPolarHBondContact O-CB 3.49Å; D208-N212 PolarHBondContact O-N 2.84Å; D208-N212 PolarHBondContact O-ND2 3.45Å; D208-N212 PolarHBondContact OD1-ND2 3.19Å
209I97.4Very high95.6Very high33 Ų3358.7 Ų58.717%0.16931%0.307CS..Hα-helixtrans-63.3-45.8179.3-67.9171.6000110.8L67 A70 L71 L74 L206 R207 L211 N212 S213L67-I209 HydrophobicContact CD1-CG2 3.75Å; A70-I209 HydrophobicContact CB-CG2 3.67Å; L71-I209 HydrophobicContact CD2-CG2 4.34Å; L74-I209 HydrophobicContact CD1-CD1 3.19Å; L74-I209 HydrophobicContact CG-CD1 4.32Å; L206-I209 PolarHBondContact O-N 2.97Å; L206-I209 VanDerWaalsContact O-N 3.13Å; R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.42Å; I209-L211 VanDerWaalsContact C-N 3.3Å; I209-L211 PolarHBondContact O-N 2.88Å; I209-N212 PolarHBondContact O-N 3.15Å; I209-S213 WeakPolarHBondContact O-CB 3.29Å; I209-S213 PolarHBondContact O-N 2.97Å; I209-S213 PolarHBondContact O-OG 3.27Å
210I97.8Very high95.6Very high0 Ų052.3 Ų52.30%028%0.277CS..Hα-helixtrans-58.3-44.9177.8-71164.2000110.7F134 L136 Y171 A173 L206 R207 D208 L229F134-I210 HydrophobicContact CD1-CD1 4.36Å; F134-I210 HydrophobicContact CD1-CG1 4.07Å; F134-I210 HydrophobicContact CE1-CD1 3.87Å; F134-I210 HydrophobicContact CE1-CG1 3.79Å; L136-I210 HydrophobicContact CD1-CG2 4.29Å; L136-I210 HydrophobicContact CD2-CG2 3.64Å; Y171-I210 HydrophobicContact CD1-CD1 3.4Å; Y171-I210 HydrophobicContact CD2-CD1 4.47Å; Y171-I210 HydrophobicContact CE1-CD1 3.78Å; Y171-I210 HydrophobicContact CG-CD1 3.77Å; A173-I210 HydrophobicContact CB-CG2 3.84Å; L206-I210 HydrophobicContact CB-CD1 3.74Å; L206-I210 HydrophobicContact CB-CG1 4.23Å; L206-I210 WeakPolarHBondContact O-CB 3.27Å; L206-I210 VanDerWaalsContact O-CG1 3.25Å; L206-I210 WeakPolarHBondContact O-CG1 3.47Å; L206-I210 PolarHBondContact O-N 2.91Å; R207-I210 PolarHBondContact O-N 3.3Å; D208-I210 PolarHBondContact O-N 2.91Å; I210-L229 HydrophobicContact CG2-CD1 3.72Å
211L97.4Very high95.5Very high20 Ų2050.1 Ų50.111%0.10527%0.273CS..Hα-helixtrans-78.4-29.2-175.1-67.7179.7000113.3A173 R207 D208 I209 G217 K227 L229A173-L211 HydrophobicContact CB-CD2 4.23Å; R207-L211 HydrophobicContact CG-CD1 4.11Å; R207-L211 WeakPolarHBondContact O-CG 3.49Å; R207-L211 PolarHBondContact O-N 3Å; R207-L211 VanDerWaalsContact O-N 3.09Å; D208-L211 PolarHBondContact O-N 3.25Å; I209-L211 VanDerWaalsContact C-N 3.3Å; I209-L211 PolarHBondContact O-N 2.88Å; L211-G217 WeakPolarHBondContact O-CA 3.4Å; L211-K227 HydrophobicContact CB-CD 4.08Å; L211-K227 HydrophobicContact CD2-CB 3.88Å; L211-K227 HydrophobicContact CD2-CD 4.19Å; L211-K227 PolarHBondContact O-NZ 3.46Å; L211-L229 HydrophobicContact CD2-CB 4.2Å
212N97Very high95.5Very high52 Ų5257.5 Ų57.528%0.27830%0.3SS..Hα-helixtrans-123.2-10.7-165.1-62-48.1000115.4D208 I209 Q218 T221 K227D208-N212 VanDerWaalsContact O-CB 3.26Å; D208-N212 WeakPolarHBondContact O-CB 3.49Å; D208-N212 PolarHBondContact O-N 2.84Å; D208-N212 PolarHBondContact O-ND2 3.45Å; D208-N212 PolarHBondContact OD1-ND2 3.19Å; I209-N212 PolarHBondContact O-N 3.15Å; N212-Q218 WeakPolarHBondContact O-CG 3.47Å; N212-Q218 PolarHBondContact O-NE2 2.74Å; N212-T221 PolarHBondContact OD1-OG1 3.41Å; N212-K227 PolarHBondContact OD1-NZ 2.9Å
213S95.8Very high95.6Very high17 Ų1758.6 Ų58.612%0.11930%0.303CS..SBendtrans-80-23.1-179.267.60000114.2G66 L67 I209G66-S213 CarbonylContact C-O 3.6Å; G66-S213 WeakPolarHBondContact CA-O 3.46Å; L67-S213 WeakPolarHBondContact CA-OG 3.31Å; I209-S213 WeakPolarHBondContact O-CB 3.29Å; I209-S213 PolarHBondContact O-N 2.97Å; I209-S213 PolarHBondContact O-OG 3.27Å
214T94.2Very high95.6Very high18 Ų1863.1 Ų63.111%0.1131%0.31CS..SBendtrans-86.1153.9-178.369.40000111.9L67 L136 F137 E216 G217 Q218L67-T214 HydrophobicContact CB-CG2 4.31Å; L136-T214 HydrophobicContact CB-CG2 4.06Å; L136-T214 HydrophobicContact CD1-CG2 3.61Å; L136-T214 HydrophobicContact CG-CG2 4.48Å; F137-T214 VanDerWaalsContact CD2-OG1 3.32Å; F137-T214 WeakPolarHBondContact CD2-OG1 3.4Å; F137-T214 VanDerWaalsContact CE2-OG1 3.28Å; F137-T214 WeakPolarHBondContact CE2-OG1 3.33Å; T214-E216 VanDerWaalsContact C-N 3.32Å; T214-E216 PolarHBondContact O-N 3.04Å; T214-G217 PolarHBondContact O-N 3.39Å; T214-G217 PolarHBondContact OG1-N 3.46Å; T214-Q218 VanDerWaalsContact O-CG 3.31Å; T214-Q218 WeakPolarHBondContact O-CG 3.3Å; T214-Q218 PolarHBondContact O-N 3.4Å
215E92Very high95.5Very high51 Ų5163.3 Ų63.324%0.23832%0.32CS..Hα-helixtrans-61.7-40.5178.2-64.6-64.1127.800112.7K10 Y64 Q218 K219K10-E215 IonicContact NZ-OE1 3.8Å; K10-E215 PolarHBondContact NZ-OE1 3.19Å; K10-E215 IonicContact NZ-OE2 3.42Å; K10-E215 PolarHBondContact NZ-OE2 2.94Å; Y64-E215 HydrophobicContact CD2-CG 3.98Å; Y64-E215 HydrophobicContact CG-CG 4.4Å; E215-Q218 PolarHBondContact O-N 2.68Å; E215-K219 VanDerWaalsContact O-CB 3.3Å; E215-K219 WeakPolarHBondContact O-CB 3.31Å; E215-K219 PolarHBondContact O-N 3.4Å
216E93.5Very high95.6Very high78 Ų7863.5 Ų63.536%0.36432%0.315SS..Hα-helixtrans-68-42.3177.3-61.7-55.3153.500110.3F137 T214 Q218 K219 V220F137-E216 HydrophobicContact CB-CB 3.61Å; F137-E216 HydrophobicContact CB-CG 4.19Å; F137-E216 HydrophobicContact CD1-CB 4.16Å; F137-E216 HydrophobicContact CD2-CB 4.09Å; F137-E216 HydrophobicContact CG-CB 3.67Å; T214-E216 VanDerWaalsContact C-N 3.32Å; T214-E216 PolarHBondContact O-N 3.04Å; E216-Q218 PolarHBondContact O-N 2.72Å; E216-K219 WeakPolarHBondContact O-CB 3.45Å; E216-K219 PolarHBondContact O-N 3.27Å; E216-K219 VanDerWaalsContact O-N 3.13Å; E216-K219 WeakPolarHBondContact OE2-CD 3.36Å; E216-K219 IonicContact OE2-NZ 2.96Å; E216-K219 PolarHBondContact OE2-NZ 2.99Å; E216-V220 VanDerWaalsContact O-CG2 3.24Å; E216-V220 WeakPolarHBondContact O-CG2 3.06Å; E216-V220 PolarHBondContact O-N 3.23Å
217G95.3Very high95.7Very high0 Ų065.6 Ų65.60%032%0.323CS..Hα-helixtrans-57.1-47.7172.600000112.5F137 L211 T214 K219 V220 T221 K227F137-G217 VanDerWaalsContact CE2-CA 3.49Å; L211-G217 WeakPolarHBondContact O-CA 3.4Å; T214-G217 PolarHBondContact O-N 3.39Å; T214-G217 PolarHBondContact OG1-N 3.46Å; G217-K219 VanDerWaalsContact C-N 3.31Å; G217-K219 PolarHBondContact O-N 2.75Å; G217-V220 PolarHBondContact O-N 3.13Å; G217-T221 PolarHBondContact O-N 2.88Å; G217-T221 PolarHBondContact O-OG1 2.91Å; G217-K227 WeakPolarHBondContact O-CE 3.24Å; G217-K227 PolarHBondContact O-NZ 3.4Å
218Q96.1Very high95.7Very high72 Ų7264.3 Ų64.334%0.33632%0.32SS..Hα-helixtrans-63.6-36.7176.5-67.7171.77.200112.5N212 T214 E215 E216 T221 R222N212-Q218 WeakPolarHBondContact O-CG 3.47Å; N212-Q218 PolarHBondContact O-NE2 2.74Å; T214-Q218 VanDerWaalsContact O-CG 3.31Å; T214-Q218 WeakPolarHBondContact O-CG 3.3Å; T214-Q218 PolarHBondContact O-N 3.4Å; E215-Q218 PolarHBondContact O-N 2.68Å; E216-Q218 PolarHBondContact O-N 2.72Å; Q218-T221 PolarHBondContact O-N 3.39Å; Q218-R222 WeakPolarHBondContact O-CG 3.3Å; Q218-R222 PolarHBondContact O-N 2.87Å
219K94.6Very high95.8Very high95 Ų9560 Ų6041%0.41330%0.297SS..Hα-helixtrans-64.6-42.3176179.9-175.8166.3-160.20111.5E215 E216 G217 T221 R222 N223E215-K219 VanDerWaalsContact O-CB 3.3Å; E215-K219 WeakPolarHBondContact O-CB 3.31Å; E215-K219 PolarHBondContact O-N 3.4Å; E216-K219 WeakPolarHBondContact O-CB 3.45Å; E216-K219 PolarHBondContact O-N 3.27Å; E216-K219 VanDerWaalsContact O-N 3.13Å; E216-K219 WeakPolarHBondContact OE2-CD 3.36Å; E216-K219 IonicContact OE2-NZ 2.96Å; E216-K219 PolarHBondContact OE2-NZ 2.99Å; G217-K219 VanDerWaalsContact C-N 3.31Å; G217-K219 PolarHBondContact O-N 2.75Å; K219-T221 VanDerWaalsContact C-N 3.33Å; K219-T221 PolarHBondContact O-N 2.72Å; K219-R222 PolarHBondContact O-N 2.91Å; K219-N223 WeakPolarHBondContact O-CB 3.39Å; K219-N223 PolarHBondContact O-N 3.08Å
220V95Very high95.8Very high8 Ų858.5 Ų58.55%0.04829%0.29CS..Hα-helixtrans-61.8-43.1175.3175.70000110.3F137 D175 E216 G217 R222 N223 K224 G225 N226 K227F137-V220 HydrophobicContact CD1-CG2 4.37Å; F137-V220 HydrophobicContact CE1-CG2 4.04Å; D175-V220 HydrophobicContact CB-CG1 4.04Å; D175-V220 HydrophobicContact CB-CG2 3.62Å; E216-V220 VanDerWaalsContact O-CG2 3.24Å; E216-V220 WeakPolarHBondContact O-CG2 3.06Å; E216-V220 PolarHBondContact O-N 3.23Å; G217-V220 PolarHBondContact O-N 3.13Å; V220-R222 PolarHBondContact O-N 2.95Å; V220-N223 CarbonylContact O-C 3.57Å; V220-N223 PolarHBondContact O-N 3.03Å; V220-K224 PolarHBondContact O-N 3.49Å; V220-K224 VanDerWaalsContact O-N 3.08Å; V220-G225 WeakPolarHBondContact CG1-O 3.13Å; V220-G225 PolarHBondContact O-N 2.57Å; V220-N226 WeakPolarHBondContact CG1-O 3.26Å; V220-K227 HydrophobicContact CB-CG 4.25Å; V220-K227 HydrophobicContact CG1-CD 4.32Å; V220-K227 HydrophobicContact CG1-CG 3.54Å
221T95.4Very high95.9Very high75 Ų7558.6 Ų58.646%0.4629%0.29SS..Hα-helixtrans-58.3-48.8173.3-54.60000112N212 G217 Q218 K219 N223 K224 K227N212-T221 PolarHBondContact OD1-OG1 3.41Å; G217-T221 PolarHBondContact O-N 2.88Å; G217-T221 PolarHBondContact O-OG1 2.91Å; Q218-T221 PolarHBondContact O-N 3.39Å; K219-T221 VanDerWaalsContact C-N 3.33Å; K219-T221 PolarHBondContact O-N 2.72Å; T221-N223 PolarHBondContact O-N 2.8Å; T221-K224 PolarHBondContact O-N 3.24Å; T221-K227 WeakPolarHBondContact OG1-CE 3.41Å; T221-K227 PolarHBondContact OG1-NZ 3.23Å
222R95.4Very high95.9Very high157 Ų15757.6 Ų57.659%0.59229%0.285SS*.Hα-helixtrans-59.2-36.2178.7-73.8-170.4-59.3-89.31.5112.3Q218 K219 V220 K224Q218-R222 WeakPolarHBondContact O-CG 3.3Å; Q218-R222 PolarHBondContact O-N 2.87Å; K219-R222 PolarHBondContact O-N 2.91Å; V220-R222 PolarHBondContact O-N 2.95Å; R222-K224 VanDerWaalsContact C-N 3.26Å; R222-K224 PolarHBondContact O-N 3.14Å
223N95.5Very high96Very high113 Ų11359.8 Ų59.860%0.60429%0.292SS*.THydrogen-bonded Turntrans-85.24178.8-67-10.7000113.3K219 V220 T221 G225K219-N223 WeakPolarHBondContact O-CB 3.39Å; K219-N223 PolarHBondContact O-N 3.08Å; V220-N223 CarbonylContact O-C 3.57Å; V220-N223 PolarHBondContact O-N 3.03Å; T221-N223 PolarHBondContact O-N 2.8Å; N223-G225 PolarHBondContact O-N 2.59Å; N223-G225 VanDerWaalsContact O-N 3.16Å
224K94.3Very high96.1Very high193 Ų19360.1 Ų60.184%0.83929%0.291SS*.THydrogen-bonded Turntrans52.832-175-54.2180-179.2-179.40112.8V220 T221 R222V220-K224 PolarHBondContact O-N 3.49Å; V220-K224 VanDerWaalsContact O-N 3.08Å; T221-K224 PolarHBondContact O-N 3.24Å; R222-K224 VanDerWaalsContact C-N 3.26Å; R222-K224 PolarHBondContact O-N 3.14Å
225G94.3Very high96.3Very high37 Ų3761.3 Ų61.338%0.38130%0.298SS..  trans-79.9158.6176.700000111.8V220 N223V220-G225 WeakPolarHBondContact CG1-O 3.13Å; V220-G225 PolarHBondContact O-N 2.57Å; N223-G225 PolarHBondContact O-N 2.59Å; N223-G225 VanDerWaalsContact O-N 3.16Å
226N96.8Very high96.5Very high119 Ų11964.7 Ų64.764%0.63631%0.314SS*.  trans-75.4149.5174.6-66.1-34.8000110.6D175 V220 F228D175-N226 WeakPolarHBondContact CA-O 3.29Å; D175-N226 WeakPolarHBondContact CB-O 3.4Å; V220-N226 WeakPolarHBondContact CG1-O 3.26Å; N226-F228 HydrophobicContact CB-CE2 4.07Å; N226-F228 HydrophobicContact CB-CZ 3.87Å
227K97.5Very high96.5Very high47 Ų4764.3 Ų64.320%0.20431%0.314CS..  trans-126.6135.4170.9-58.9175.4-170.7-177.50109F137 L211 N212 G217 V220 T221F137-K227 HydrophobicContact CE1-CG 4.41Å; F137-K227 HydrophobicContact CZ-CD 4.25Å; F137-K227 HydrophobicContact CZ-CG 4.44Å; L211-K227 HydrophobicContact CB-CD 4.08Å; L211-K227 HydrophobicContact CD2-CB 3.88Å; L211-K227 HydrophobicContact CD2-CD 4.19Å; L211-K227 PolarHBondContact O-NZ 3.46Å; N212-K227 PolarHBondContact OD1-NZ 2.9Å; G217-K227 WeakPolarHBondContact O-CE 3.24Å; G217-K227 PolarHBondContact O-NZ 3.4Å; V220-K227 HydrophobicContact CB-CG 4.25Å; V220-K227 HydrophobicContact CG1-CD 4.32Å; V220-K227 HydrophobicContact CG1-CG 3.54Å; T221-K227 WeakPolarHBondContact OG1-CE 3.41Å; T221-K227 PolarHBondContact OG1-NZ 3.23Å
228F97.8Very high96.2Very high60 Ų6068.1 Ų68.126%0.26334%0.339SS..EExtended strand (participates in β ladder)trans-113.2139.1177.8-51-81.8000108.8A173 T174 I180 N226A173-F228 VanDerWaalsContact CA-O 3.25Å; A173-F228 WeakPolarHBondContact CA-O 3.4Å; T174-F228 HydrophobicContact CG2-CB 4.47Å; T174-F228 PolarHBondContact N-O 3.37Å; T174-F228 PolarHBondContact O-N 2.96Å; I180-F228 HydrophobicContact CB-CB 3.87Å; I180-F228 HydrophobicContact CG1-CB 3.92Å; I180-F228 HydrophobicContact CG2-CB 3.63Å; I180-F228 HydrophobicContact CG2-CD1 4.28Å; I180-F228 HydrophobicContact CG2-CD2 4.37Å; I180-F228 HydrophobicContact CG2-CG 3.84Å; N226-F228 HydrophobicContact CB-CE2 4.07Å; N226-F228 HydrophobicContact CB-CZ 3.87Å
229L98.2Very high95.8Very high15 Ų1571.2 Ų71.28%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-128.3133.3177.1176.460.8000107.9Y171 V172 A173 R207 I210 L211Y171-L229 HydrophobicContact CD1-CD1 4.47Å; V172-L229 WeakPolarHBondContact O-CA 3.25Å; A173-L229 HydrophobicContact CB-CD1 4.28Å; R207-L229 HydrophobicContact CB-CD2 4.48Å; R207-L229 HydrophobicContact CG-CD2 3.94Å; I210-L229 HydrophobicContact CG2-CD1 3.72Å; L211-L229 HydrophobicContact CD2-CB 4.2Å
230A98.4Very high94.8Very high2 Ų269.2 Ų69.22%0.01736%0.358CS..EExtended strand (participates in β ladder)trans-132.2151.9165.100000108.6V172 I180 R184 F232V172-A230 PolarHBondContact N-O 3.36Å; V172-A230 PolarHBondContact O-N 2.9Å; I180-A230 HydrophobicContact CD1-CB 3.69Å; I180-A230 HydrophobicContact CG1-CB 4.14Å; R184-A230 HydrophobicContact CG-CB 4.13Å; A230-F232 HydrophobicContact CB-CE1 4.42Å; A230-F232 HydrophobicContact CB-CE2 3.83Å; A230-F232 HydrophobicContact CB-CZ 3.58Å
231A98.7Very high93.3Very high1 Ų175.3 Ų75.31%0.00839%0.39CS..EExtended strand (participates in β ladder)trans-136.4150171.100000111V169 I170 Y171 I196 L201V169-A231 HydrophobicContact CG1-CB 3.97Å; I170-A231 CarbonylContact O-C 3.46Å; I170-A231 WeakPolarHBondContact O-CA 3.41Å; Y171-A231 HydrophobicContact CD1-CB 3.68Å; Y171-A231 HydrophobicContact CE1-CB 3.91Å; Y171-A231 HydrophobicContact CG-CB 4.35Å; I196-A231 HydrophobicContact CB-CB 4.26Å; I196-A231 HydrophobicContact CD1-CB 3.99Å; I196-A231 HydrophobicContact CG1-CB 4.43Å; I196-A231 PolarHBondContact N-O 2.98Å; L201-A231 HydrophobicContact CD1-CB 4.05Å; L201-A231 HydrophobicContact CD2-CB 3.53Å; L201-A231 HydrophobicContact CG-CB 4.4Å
232F98.7Very high91.4Very high0 Ų078.7 Ų78.70%040%0.401CS..EExtended strand (participates in β ladder)trans-134.8125.6-172.1-49.2-81.7000109V169 I170 V172 R184 F187 F193 C194 S195 A230V169-F232 WeakPolarHBondContact CA-O 3.2Å; I170-F232 PolarHBondContact N-O 3.22Å; I170-F232 PolarHBondContact O-N 3.29Å; V172-F232 HydrophobicContact CB-CE2 4.38Å; V172-F232 HydrophobicContact CG2-CD2 4.35Å; V172-F232 HydrophobicContact CG2-CE2 3.91Å; R184-F232 HydrophobicContact CG-CE1 4.35Å; R184-F232 HydrophobicContact CG-CZ 4.08Å; F187-F232 HydrophobicContact CB-CD1 3.27Å; F187-F232 HydrophobicContact CB-CD2 4.28Å; F187-F232 HydrophobicContact CB-CE1 3.35Å; F187-F232 HydrophobicContact CB-CE2 4.35Å; F187-F232 HydrophobicContact CB-CG 3.77Å; F187-F232 HydrophobicContact CB-CZ 3.9Å; F187-F232 HydrophobicContact CD1-CB 3.6Å; F187-F232 AromaticContact CD1-CD1 3.93Å; F187-F232 HydrophobicContact CD1-CD1 3.93Å; F187-F232 AromaticContact CD1-CD2 3.83Å; F187-F232 HydrophobicContact CD1-CD2 3.83Å; F187-F232 HydrophobicContact CD1-CE2 4.5Å; F187-F232 AromaticContact CD1-CG 3.49Å; F187-F232 HydrophobicContact CD1-CG 3.49Å; F187-F232 VanDerWaalsContact CD1-CG 3.49Å; F187-F232 HydrophobicContact CD2-CD1 4.03Å; F187-F232 AromaticContact CD2-CD2 3.42Å; F187-F232 HydrophobicContact CD2-CD2 3.42Å; F187-F232 VanDerWaalsContact CD2-CD2 3.42Å; F187-F232 AromaticContact CD2-CE1 3.92Å; F187-F232 HydrophobicContact CD2-CE1 3.92Å; F187-F232 AromaticContact CD2-CE2 3.3Å; F187-F232 HydrophobicContact CD2-CE2 3.3Å; F187-F232 AromaticContact CD2-CG 3.79Å; F187-F232 HydrophobicContact CD2-CG 3.79Å; F187-F232 AromaticContact CD2-CZ 3.55Å; F187-F232 HydrophobicContact CD2-CZ 3.55Å; F187-F232 HydrophobicContact CE1-CB 3.87Å; F187-F232 AromaticContact CE1-CD2 3.92Å; F187-F232 HydrophobicContact CE1-CD2 3.92Å; F187-F232 AromaticContact CE1-CG 3.94Å; F187-F232 HydrophobicContact CE1-CG 3.94Å; F187-F232 AromaticContact CE2-CD2 3.54Å; F187-F232 HydrophobicContact CE2-CD2 3.54Å; F187-F232 AromaticContact CE2-CE2 3.6Å; F187-F232 HydrophobicContact CE2-CE2 3.6Å; F187-F232 HydrophobicContact CE2-CG 4.22Å; F187-F232 HydrophobicContact CE2-CZ 4.3Å; F187-F232 HydrophobicContact CG-CB 4.06Å; F187-F232 AromaticContact CG-CD1 3.5Å; F187-F232 HydrophobicContact CG-CD1 3.5Å; F187-F232 VanDerWaalsContact CG-CD1 3.5Å; F187-F232 AromaticContact CG-CD2 3.58Å; F187-F232 HydrophobicContact CG-CD2 3.58Å; F187-F232 AromaticContact CG-CE1 3.73Å; F187-F232 HydrophobicContact CG-CE1 3.73Å; F187-F232 AromaticContact CG-CE2 3.82Å; F187-F232 HydrophobicContact CG-CE2 3.82Å; F187-F232 AromaticContact CG-CG 3.4Å; F187-F232 HydrophobicContact CG-CG 3.4Å; F187-F232 VanDerWaalsContact CG-CG 3.4Å; F187-F232 AromaticContact CG-CZ 3.88Å; F187-F232 HydrophobicContact CG-CZ 3.88Å; F187-F232 AromaticContact CZ-CD2 3.79Å; F187-F232 HydrophobicContact CZ-CD2 3.79Å; F187-F232 HydrophobicContact CZ-CE2 4.31Å; F187-F232 HydrophobicContact CZ-CG 4.29Å; F193-F232 HydrophobicContact CB-CB 4.48Å; F193-F232 HydrophobicContact CD1-CB 4.34Å; C194-F232 CarbonylContact O-C 3.59Å; C194-F232 VanDerWaalsContact O-CA 3.3Å; C194-F232 WeakPolarHBondContact O-CA 3.44Å; S195-F232 WeakPolarHBondContact OG-CD1 3.37Å; S195-F232 WeakPolarHBondContact OG-CE1 3.44Å; A230-F232 HydrophobicContact CB-CE1 4.42Å; A230-F232 HydrophobicContact CB-CE2 3.83Å; A230-F232 HydrophobicContact CB-CZ 3.58Å
233K98.6Very high89.4Confident98 Ų9876.7 Ų76.743%0.42641%0.408SS..EExtended strand (participates in β ladder)trans-91.7132.3179.1-175.4-179.6179.6-177.90109.2G168 F193 C194 I196 V235G168-K233 CarbonylContact O-C 3.56Å; G168-K233 WeakPolarHBondContact O-CA 3.5Å; F193-K233 WeakPolarHBondContact CA-O 3.47Å; C194-K233 PolarHBondContact N-O 3.5Å; C194-K233 PolarHBondContact O-N 3.27Å; I196-K233 HydrophobicContact CD1-CB 4.23Å; I196-K233 HydrophobicContact CG1-CB 4.11Å; K233-V235 PolarHBondContact O-N 2.9Å
234R98.5Very high87.5Confident23 Ų2377.5 Ų77.59%0.08742%0.418CS..EExtended strand (participates in β ladder)trans-69.5121.3169.3171.160.7159.9106.9-1.1109.2A161 L164 A165 G167 G168 L192 F193A161-R234 PolarHBondContact O-NE 3.48Å; A161-R234 PolarHBondContact O-NH2 3Å; L164-R234 HydrophobicContact CB-CB 4.48Å; L164-R234 HydrophobicContact CD2-CB 3.7Å; L164-R234 HydrophobicContact CG-CB 4.29Å; A165-R234 WeakPolarHBondContact O-CB 3.29Å; A165-R234 VanDerWaalsContact O-CG 3.28Å; A165-R234 WeakPolarHBondContact O-CG 3.45Å; G167-R234 WeakPolarHBondContact CA-O 3.37Å; G167-R234 PolarHBondContact N-O 2.96Å; G168-R234 PolarHBondContact O-N 3.06Å; L192-R234 WeakPolarHBondContact O-CA 3.06Å; L192-R234 WeakPolarHBondContact O-CD 3.39Å; F193-R234 HydrophobicContact CD1-CB 4.36Å; F193-R234 HydrophobicContact CE1-CB 4.08Å
235V97.9Very high85.4Confident43 Ų4376.5 Ų76.526%0.26142%0.416SS..  trans-104.4166.6177.4-64.50000110L192 C194 K233L192-V235 PolarHBondContact O-N 3.47Å; C194-V235 HydrophobicContact CB-CG1 4.02Å; C194-V235 WeakPolarHBondContact SG-CG1 3.42Å; K233-V235 PolarHBondContact O-N 2.9Å
236E96.4Very high83.3Confident122 Ų12282.5 Ų82.557%0.5744%0.439SS*.  trans-57.1156.2173.2-83174.8-162.900112.8I166 P238I166-E236 HydrophobicContact CD1-CG 3.61Å; I166-E236 HydrophobicContact CG1-CG 4.19Å; I166-E236 HydrophobicContact CG2-CG 4.06Å; E236-P238 WeakPolarHBondContact O-CD 3.44Å
237D93Very high80.8Confident70 Ų7089.4 Ų89.437%0.37446%0.463SS..  trans-70.4116.5171.4-170.8-21.3000109.1L192 F239 G240L192-D237 HydrophobicContact CD2-CB 3.78Å; D237-F239 PolarHBondContact O-N 3.08Å; D237-F239 VanDerWaalsContact O-N 3.11Å; D237-F239 PolarHBondContact OD1-N 3.16Å; D237-G240 PolarHBondContact O-N 2.97Å
238P90.1Very high80Confident81 Ų8191.5 Ų91.553%0.52648%0.476SS..THydrogen-bonded Turntrans-64.3-16-178.727.3-34.3000113.1P191 E236P191-P238 HydrophobicContact CB-CG 4.1Å; E236-P238 WeakPolarHBondContact O-CD 3.44Å
239F87.4Confident79Confident137 Ų13793.2 Ų93.260%0.60149%0.487SS*.THydrogen-bonded Turntrans-105.3-4.2-179.6-50.9-70.9000113.4D237 N241D237-F239 PolarHBondContact O-N 3.08Å; D237-F239 VanDerWaalsContact O-N 3.11Å; D237-F239 PolarHBondContact OD1-N 3.16Å; F239-N241 VanDerWaalsContact C-N 3.25Å; F239-N241 PolarHBondContact O-N 3.02Å
240G73.6Confident78Confident52 Ų5297.5 Ų97.554%0.53651%0.51SS..THydrogen-bonded Turntrans-72.5-12.3-172.800000115.5D237D237-G240 PolarHBondContact O-N 2.97Å
241N63Low76.8Confident137 Ų137103.1 Ų103.173%0.73354%0.539SS*.THydrogen-bonded Turntrans-110.310.2-175.3-69.6-25.7000113.7F239 P243F239-N241 VanDerWaalsContact C-N 3.25Å; F239-N241 PolarHBondContact O-N 3.02Å; N241-P243 WeakPolarHBondContact O-CD 3.29Å
242E54.9Low75.4Confident146 Ų146109.5 Ų109.568%0.68257%0.572SS**SBendtrans-67.4120.8168.9-71.5-174176.500108.2T244E242-T244 PolarHBondContact O-N 2.78Å; E242-T244 VanDerWaalsContact O-N 3.08Å
243P52.7Low73.8Confident115 Ų115116.8 Ų116.875%0.74761%0.611SS**  trans-55.8123.3170.423.2-30.7000106.8N241 E245N241-P243 WeakPolarHBondContact O-CD 3.29Å; P243-E245 PolarHBondContact O-N 3.47Å
244T55.8Low72.1Confident130 Ų130118.1 Ų118.180%0.79862%0.624SS**  trans-58.2107167.128.80000105.7E242 D246E242-T244 PolarHBondContact O-N 2.78Å; E242-T244 VanDerWaalsContact O-N 3.08Å; T244-D246 VanDerWaalsContact C-N 3.31Å; T244-D246 PolarHBondContact O-N 3.1Å
245E50.6Low70Confident172 Ų172125.5 Ų125.580%0.80467%0.665SS**  trans-61103.2167.4-76.6-173.9165.400106P243 K247P243-E245 PolarHBondContact O-N 3.47Å; E245-K247 PolarHBondContact O-N 2.85Å
246D50.9Low67.7Low163 Ų163132.3 Ų132.387%0.87270%0.699SS**  trans-50.5113.3165.8-82.9-32.8000107.5T244T244-D246 VanDerWaalsContact C-N 3.31Å; T244-D246 PolarHBondContact O-N 3.1Å
247K44.3Very low65.1Low263 Ų263133.3 Ų133.3100%1.14371%0.71SS**  trans-99.70165.6-79-171.3178.8178.60109.7E245E245-K247 PolarHBondContact O-N 2.85Å

Retrieved 247 of 247 residues in 205.4 ms (Link to these results)

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