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Gamma-glutamylcyclotransferase

Catalyzes the formation of 5-oxoproline from gamma-glutamyl dipeptides and may play a significant role in glutathione homeostasis1. Induces release of cytochrome c from mitochondria with resultant induction of apoptosis2.

AlphaFold DB , UniProt , Accession O75223, Species HUMAN (Homo sapiens, Human), Gene GGCT, Length 188 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
1M36.6Very low50.3Low245 Ų245106.9 Ų106.9100%1.20764%0.64SS**  0100.80-62.8-160.4-128.600107.2
2A42.2Very low50.8Low93 Ų93108.2 Ų108.277%0.76965%0.653SS**  trans-80.5121.3171.300000107S4A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 2.73Å
3N40.9Very low52.5Low170 Ų170104.7 Ų104.791%0.90963%0.628SS**  trans-68.991.1176.1-111.5-2.2000108.3G5N3-G5 PolarHBondContact O-N 3.13Å
4S54.6Low54.6Low53 Ų53108.8 Ų108.837%0.37164%0.638SS.*  trans-7854.2169.1-63.10000110.5A2 C6A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 2.73Å; S4-C6 PolarHBondContact O-N 3.16Å
5G50.9Low57.2Low51 Ų51110.8 Ų110.853%0.52664%0.638SS.*PPolyproline II helixtrans-71.3120176.800000110.4N3 K7N3-G5 PolarHBondContact O-N 3.13Å; G5-K7 PolarHBondContact O-N 3.01Å
6C53.7Low59.6Low20 Ų20105.1 Ų105.114%0.13561%0.607CS.*PPolyproline II helixtrans-56.4132168.1-63.40000108.9S4 D8 F41 C42 T114S4-C6 PolarHBondContact O-N 3.16Å; C6-D8 PolarHBondContact O-N 2.89Å; C6-F41 HydrophobicContact CB-CE1 4.24Å; C6-C42 HydrophobicContact CB-CB 3.83Å; C6-C42 WeakPolarHBondContact CB-SG 3.19Å; C6-C42 WeakPolarHBondContact SG-CB 3.2Å; C6-C42 CovalentContact SG-SG 2.05Å; C6-C42 PolarHBondContact SG-SG 2.82Å; C6-T114 WeakPolarHBondContact SG-CG2 3.32Å
7K59.2Low61.8Low163 Ų163100.4 Ų100.471%0.70958%0.578SS**PPolyproline II helixtrans-63.6134.8170.9-67.9-176.8-179.9176.70109G5 V9 F41G5-K7 PolarHBondContact O-N 3.01Å; K7-V9 PolarHBondContact O-N 3.47Å; K7-F41 HydrophobicContact CB-CE2 4.23Å; K7-F41 WeakPolarHBondContact O-CZ 3.15Å
8D57Low63.8Low117 Ų11796.3 Ų96.363%0.62655%0.553SS**PPolyproline II helixtrans-61123.8176-77.2-42.9000110.2C6 T10 K118C6-D8 PolarHBondContact O-N 2.89Å; D8-T10 PolarHBondContact O-N 3.23Å; D8-T10 VanDerWaalsContact O-N 3.12Å; D8-K118 IonicContact OD1-NZ 3.43Å; D8-K118 PolarHBondContact OD1-NZ 2.69Å
9V54Low65.7Low87 Ų8791.8 Ų91.853%0.52753%0.526SS..  trans-77.193.7169.7-172.30000107.2K7 G11 F41K7-V9 PolarHBondContact O-N 3.47Å; V9-G11 WeakPolarHBondContact CG1-O 3.23Å; V9-G11 PolarHBondContact O-N 3.05Å; V9-F41 HydrophobicContact CG2-CE1 4.31Å; V9-F41 HydrophobicContact CG2-CE2 3.96Å; V9-F41 HydrophobicContact CG2-CZ 3.4Å
10T49.8Very low67.3Low135 Ų13587.2 Ų87.283%0.82850%0.5SS*.  trans-76.688.5171.5550000109.1D8D8-T10 PolarHBondContact O-N 3.23Å; D8-T10 VanDerWaalsContact O-N 3.12Å
11G54.5Low68.8Low42 Ų4283 Ų8343%0.43348%0.476SS..SBendtrans73.6171176.100000114.7V9 D13V9-G11 WeakPolarHBondContact CG1-O 3.23Å; V9-G11 PolarHBondContact O-N 3.05Å; G11-D13 PolarHBondContact O-N 2.89Å
12P56.1Low71.8Confident122 Ų12271.9 Ų71.979%0.79242%0.421SS*.  trans-63.2108.8175.624.4-29.9000109.3E14P12-E14 PolarHBondContact O-N 2.66Å; P12-E14 VanDerWaalsContact O-N 3.13Å
13D72.3Confident74.5Confident63 Ų6367.9 Ų67.934%0.33739%0.389SS..  trans-69104.7164.8179.6-23.4000107.3G11 E15 S16 K85G11-D13 PolarHBondContact O-N 2.89Å; D13-E15 PolarHBondContact O-N 3.36Å; D13-E15 VanDerWaalsContact O-N 3.16Å; D13-E15 PolarHBondContact OD1-N 3.37Å; D13-S16 WeakPolarHBondContact CB-OG 3.47Å; D13-S16 PolarHBondContact O-N 3.12Å; D13-S16 PolarHBondContact OD1-N 3.11Å; D13-S16 PolarHBondContact OD1-OG 3.09Å; D13-S16 PolarHBondContact OD2-OG 3.17Å; D13-K85 WeakPolarHBondContact OD2-CE 3.26Å; D13-K85 IonicContact OD2-NZ 2.71Å; D13-K85 PolarHBondContact OD2-NZ 2.8Å
14E82.4Confident77.2Confident162 Ų16260.3 Ų60.376%0.75735%0.349SS*.THydrogen-bonded Turntrans-65.8-15.9-174.8-66.7-165171.300113.3P12 K88P12-E14 PolarHBondContact O-N 2.66Å; P12-E14 VanDerWaalsContact O-N 3.13Å; E14-K88 VanDerWaalsContact O-CD 3.32Å; E14-K88 WeakPolarHBondContact O-CD 3.48Å; E14-K88 WeakPolarHBondContact O-CE 3.32Å; E14-K88 PolarHBondContact O-NZ 2.84Å
15E93.2Very high79.3Confident139 Ų13958 Ų5865%0.6533%0.332SS*.THydrogen-bonded Turntrans-98.9-15.1-177.1-62.9-172.1176.800113.4D13 N87 K88D13-E15 PolarHBondContact O-N 3.36Å; D13-E15 VanDerWaalsContact O-N 3.16Å; D13-E15 PolarHBondContact OD1-N 3.37Å; E15-N87 CarbonylContact O-C 3.56Å; E15-N87 WeakPolarHBondContact O-CA 3.37Å; E15-N87 PolarHBondContact O-ND2 3.01Å; E15-K88 PolarHBondContact O-N 2.76Å
16S96.6Very high81.5Confident19 Ų1955.6 Ų55.613%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-120.2164.9-175.874.40000113.8D13 K85 M86 K88D13-S16 WeakPolarHBondContact CB-OG 3.47Å; D13-S16 PolarHBondContact O-N 3.12Å; D13-S16 PolarHBondContact OD1-N 3.11Å; D13-S16 PolarHBondContact OD1-OG 3.09Å; D13-S16 PolarHBondContact OD2-OG 3.17Å; S16-K85 WeakPolarHBondContact OG-CE 3.37Å; S16-M86 CarbonylContact C-O 3.53Å; S16-M86 WeakPolarHBondContact CA-O 3.22Å; S16-M86 VanDerWaalsContact CB-O 3.22Å; S16-M86 WeakPolarHBondContact CB-O 3.16Å; S16-K88 VanDerWaalsContact O-CE 3.23Å; S16-K88 WeakPolarHBondContact O-CE 3.28Å
17F97.2Very high83.7Confident26 Ų2654.9 Ų54.911%0.11430%0.302CS..EExtended strand (participates in β ladder)trans-136.6161.3169.571.9-80.4000109.6M86 N87 K88 L91 L94 R123F17-M86 HydrophobicContact CD1-CB 4.17Å; F17-M86 WeakPolarHBondContact CD1-O 2.98Å; F17-M86 HydrophobicContact CE1-CB 3.6Å; F17-M86 HydrophobicContact CE2-CB 4.36Å; F17-M86 HydrophobicContact CE2-SD 4.48Å; F17-M86 HydrophobicContact CZ-CB 3.71Å; F17-M86 HydrophobicContact CZ-CE 4.38Å; F17-M86 HydrophobicContact CZ-CG 4.45Å; F17-M86 HydrophobicContact CZ-SD 4.1Å; F17-M86 PolarHBondContact N-O 3.22Å; F17-M86 PolarHBondContact O-N 2.83Å; F17-N87 WeakPolarHBondContact CE1-O 3.35Å; F17-K88 HydrophobicContact CD1-CG 4.25Å; F17-L91 HydrophobicContact CD1-CD2 3.86Å; F17-L91 HydrophobicContact CD1-CG 4.02Å; F17-L91 HydrophobicContact CD2-CD2 4.04Å; F17-L91 HydrophobicContact CE1-CD2 3.67Å; F17-L91 HydrophobicContact CE1-CG 3.77Å; F17-L91 HydrophobicContact CE2-CD2 3.86Å; F17-L91 HydrophobicContact CG-CD2 4.04Å; F17-L91 HydrophobicContact CZ-CD2 3.67Å; F17-L91 HydrophobicContact CZ-CG 4.2Å; F17-L94 HydrophobicContact CE2-CD2 3.97Å; F17-L94 HydrophobicContact CZ-CD2 3.92Å; F17-R123 HydrophobicContact CD2-CB 4.06Å; F17-R123 HydrophobicContact CE2-CB 4.35Å
18L98Very high85.5Confident26 Ų2648.7 Ų48.714%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-103.1130.7175.7-61.3177.9000109.2F41 V83 W84 K85 I120 C122 R123L18-F41 HydrophobicContact CD2-CB 4.43Å; L18-F41 HydrophobicContact CD2-CD1 4.33Å; L18-F41 HydrophobicContact CD2-CD2 4.03Å; L18-F41 HydrophobicContact CD2-CE2 4.44Å; L18-F41 HydrophobicContact CD2-CG 3.98Å; L18-V83 HydrophobicContact CB-CG1 3.87Å; L18-V83 HydrophobicContact CD1-CG1 4.47Å; L18-V83 HydrophobicContact CD2-CG1 4.1Å; L18-V83 HydrophobicContact CG-CG1 4.36Å; L18-W84 CarbonylContact C-O 3.56Å; L18-W84 WeakPolarHBondContact CA-O 3.34Å; L18-K85 HydrophobicContact CD2-CB 3.92Å; L18-K85 HydrophobicContact CD2-CG 4.11Å; L18-I120 HydrophobicContact CD1-CG2 3.24Å; L18-I120 HydrophobicContact CG-CG2 4.49Å; L18-C122 HydrophobicContact CB-CB 4.49Å; L18-C122 CarbonylContact O-C 3.58Å; L18-C122 WeakPolarHBondContact O-CA 3.11Å; L18-R123 PolarHBondContact O-N 3.28Å
19Y98.4Very high87.4Confident11 Ų1146.9 Ų46.94%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-115.2118.2179.6165.8-136000109.6A21 N25 I31 V83 W84 M86 L94 R123 Y125Y19-A21 HydrophobicContact CD1-CB 4.49Å; Y19-A21 HydrophobicContact CE1-CB 3.82Å; Y19-A21 HydrophobicContact CE2-CB 4.37Å; Y19-N25 HydrophobicContact CE1-CB 4.16Å; Y19-N25 PolarHBondContact OH-ND2 3Å; Y19-I31 HydrophobicContact CD1-CD1 4.19Å; Y19-I31 HydrophobicContact CE1-CD1 4.07Å; Y19-V83 CarbonylContact O-C 3.59Å; Y19-V83 WeakPolarHBondContact O-CA 3.4Å; Y19-W84 HydrophobicContact CD1-CB 4.27Å; Y19-W84 AromaticContact CD1-CD1 3.86Å; Y19-W84 HydrophobicContact CD1-CG 4.39Å; Y19-W84 PolarHBondContact N-O 2.86Å; Y19-W84 PolarHBondContact O-N 2.92Å; Y19-M86 HydrophobicContact CD1-SD 3.87Å; Y19-M86 HydrophobicContact CG-SD 4.36Å; Y19-L94 HydrophobicContact CD1-CD1 4.43Å; Y19-L94 HydrophobicContact CD1-CD2 3.98Å; Y19-L94 HydrophobicContact CD2-CD2 4.22Å; Y19-L94 HydrophobicContact CE1-CD1 4.11Å; Y19-L94 HydrophobicContact CE1-CD2 4.34Å; Y19-L94 HydrophobicContact CG-CD2 3.92Å; Y19-R123 CarbonylContact C-O 3.48Å; Y19-R123 WeakPolarHBondContact CA-O 3.37Å; Y19-Y125 HydrophobicContact CD2-CD2 4.33Å; Y19-Y125 AromaticContact CD2-CE2 3.98Å; Y19-Y125 HydrophobicContact CD2-CE2 3.98Å; Y19-Y125 AromaticContact CE2-CD2 3.64Å; Y19-Y125 HydrophobicContact CE2-CD2 3.64Å; Y19-Y125 AromaticContact CE2-CE2 3.63Å; Y19-Y125 HydrophobicContact CE2-CE2 3.63Å
20F98.8Very high89.5Confident0 Ų044.1 Ų44.10%025%0.246CC..EExtended strand (participates in β ladder)trans-89.8110.1173.8-179.8-106.8000110.4Y22 A44 L46 V79 G81 V83 V110 V112 C122 R123 S124F20-Y22 HydrophobicContact CD1-CD1 4.17Å; F20-Y22 HydrophobicContact CE1-CD1 4.12Å; F20-A44 HydrophobicContact CE2-CB 4.36Å; F20-A44 WeakPolarHBondContact CE2-O 3.41Å; F20-L46 HydrophobicContact CE1-CB 3.89Å; F20-L46 HydrophobicContact CE1-CD2 4.15Å; F20-L46 HydrophobicContact CZ-CB 4.02Å; F20-V79 HydrophobicContact CE1-CG1 4.33Å; F20-V79 HydrophobicContact CZ-CG1 4.43Å; F20-G81 VanDerWaalsContact CE2-CA 3.44Å; F20-V83 HydrophobicContact CD2-CG2 4.08Å; F20-V110 HydrophobicContact CB-CG2 4.22Å; F20-V110 HydrophobicContact CD1-CG2 4.38Å; F20-V112 HydrophobicContact CB-CG1 4.48Å; F20-V112 HydrophobicContact CD1-CG1 4.21Å; F20-V112 HydrophobicContact CD2-CB 4.49Å; F20-V112 HydrophobicContact CD2-CG1 3.85Å; F20-V112 HydrophobicContact CD2-CG2 4.42Å; F20-V112 HydrophobicContact CE1-CG1 4.4Å; F20-V112 HydrophobicContact CE2-CG1 4.05Å; F20-V112 HydrophobicContact CG-CG1 3.92Å; F20-V112 HydrophobicContact CZ-CG1 4.32Å; F20-C122 HydrophobicContact CB-CB 3.7Å; F20-R123 PolarHBondContact N-O 2.84Å; F20-S124 PolarHBondContact O-OG 3.36Å
21A98.8Very high91.7Very high0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-100.2133.8176.600000111.1Y19 N25 L26 G81 V82Y19-A21 HydrophobicContact CD1-CB 4.49Å; Y19-A21 HydrophobicContact CE1-CB 3.82Å; Y19-A21 HydrophobicContact CE2-CB 4.37Å; A21-N25 HydrophobicContact CB-CB 3.73Å; A21-L26 WeakPolarHBondContact O-CD2 3.41Å; A21-G81 CarbonylContact O-C 3.18Å; A21-G81 WeakPolarHBondContact O-CA 3.33Å; A21-V82 PolarHBondContact N-O 3.38Å; A21-V82 PolarHBondContact O-N 3.43Å
22Y98.8Very high93.7Very high11 Ų1139 Ų394%0.04320%0.201CC..  trans-130.31.5177.960.2-99.7000113.2F20 L51 A69 I71 V79 Y125F20-Y22 HydrophobicContact CD1-CD1 4.17Å; F20-Y22 HydrophobicContact CE1-CD1 4.12Å; Y22-L51 HydrophobicContact CD2-CD1 3.66Å; Y22-L51 HydrophobicContact CE2-CD1 4.22Å; Y22-A69 HydrophobicContact CE2-CB 4.4Å; Y22-A69 WeakPolarHBondContact CE2-O 3.47Å; Y22-A69 PolarHBondContact OH-O 2.93Å; Y22-I71 HydrophobicContact CD1-CD1 4.17Å; Y22-I71 HydrophobicContact CD1-CG2 4.04Å; Y22-I71 HydrophobicContact CD2-CG2 3.76Å; Y22-I71 HydrophobicContact CE1-CD1 3.69Å; Y22-I71 HydrophobicContact CE1-CG1 3.84Å; Y22-I71 HydrophobicContact CE1-CG2 3.95Å; Y22-I71 HydrophobicContact CE2-CG2 3.69Å; Y22-I71 HydrophobicContact CG-CG2 3.96Å; Y22-V79 HydrophobicContact CG-CG1 4.19Å; Y22-Y125 WeakPolarHBondContact CE1-O 3.33Å; Y22-Y125 PolarHBondContact OH-O 3.42Å
23G98.5Very high95.6Very high9 Ų936.9 Ų36.99%0.09318%0.183CC..SBendtrans-113.2-139.7178.900000112.5N25 L26G23-N25 PolarHBondContact O-N 3.47Å; G23-N25 VanDerWaalsContact O-N 3.16Å; G23-L26 VanDerWaalsContact O-CB 3.32Å; G23-L26 WeakPolarHBondContact O-CB 3.45Å; G23-L26 WeakPolarHBondContact O-CD1 3.36Å; G23-L26 WeakPolarHBondContact O-CG 3.35Å; G23-L26 PolarHBondContact O-N 3.14Å
24S98Very high96.7Very high11 Ų1140.9 Ų40.98%0.07719%0.193CC..G310 helixtrans-61.4-25.1-177.960.80000115.2L26 L27 R30 Y139S24-L26 PolarHBondContact O-N 3.04Å; S24-L26 VanDerWaalsContact O-N 3.11Å; S24-L27 PolarHBondContact O-N 3.19Å; S24-R30 WeakPolarHBondContact O-CG 3.44Å; S24-Y139 PolarHBondContact N-OH 2.7Å
25N98.4Very high97.3Very high3 Ų333.2 Ų33.22%0.01616%0.158CC..G310 helixtrans-71.77173.4-68-22.8000113.4Y19 A21 G23 I31 W84 Q97 E98Y19-N25 HydrophobicContact CE1-CB 4.16Å; Y19-N25 PolarHBondContact OH-ND2 3Å; A21-N25 HydrophobicContact CB-CB 3.73Å; G23-N25 PolarHBondContact O-N 3.47Å; G23-N25 VanDerWaalsContact O-N 3.16Å; N25-I31 HydrophobicContact CB-CB 4.2Å; N25-I31 HydrophobicContact CB-CD1 4.27Å; N25-I31 HydrophobicContact CB-CG1 4.41Å; N25-W84 WeakPolarHBondContact O-CZ2 3.42Å; N25-W84 PolarHBondContact O-NE1 3.1Å; N25-Q97 PolarHBondContact ND2-NE2 3.4Å; N25-Q97 PolarHBondContact OD1-NE2 3.24Å; N25-Q97 VanDerWaalsContact OD1-NE2 3.16Å; N25-E98 PolarHBondContact ND2-OE1 2.82Å
26L98.7Very high97.4Very high1 Ų131.2 Ų31.21%0.00516%0.157CC..G310 helixtrans-67.2-23.4164.5-71.9173.1000112.5A21 G23 S24 V82 I143 G146 N150 L152A21-L26 WeakPolarHBondContact O-CD2 3.41Å; G23-L26 VanDerWaalsContact O-CB 3.32Å; G23-L26 WeakPolarHBondContact O-CB 3.45Å; G23-L26 WeakPolarHBondContact O-CD1 3.36Å; G23-L26 WeakPolarHBondContact O-CG 3.35Å; G23-L26 PolarHBondContact O-N 3.14Å; S24-L26 PolarHBondContact O-N 3.04Å; S24-L26 VanDerWaalsContact O-N 3.11Å; L26-V82 HydrophobicContact CD2-CB 4.2Å; L26-V82 HydrophobicContact CD2-CG2 3.79Å; L26-I143 HydrophobicContact CD1-CG2 4.05Å; L26-G146 CarbonylContact O-C 3.57Å; L26-G146 VanDerWaalsContact O-CA 3.29Å; L26-G146 WeakPolarHBondContact O-CA 3.42Å; L26-N150 PolarHBondContact O-ND2 3.29Å; L26-L152 HydrophobicContact CD1-CD2 4.44Å; L26-L152 HydrophobicContact CD2-CD2 4.19Å
27L98.4Very high97.3Very high5 Ų533.7 Ų33.73%0.02617%0.174CC..SBendtrans-96.2126.5-178.6-178.765.1000110.2S24 E29 R30 I31 I142 M145 E149 I179S24-L27 PolarHBondContact O-N 3.19Å; L27-E29 PolarHBondContact O-N 3.4Å; L27-R30 HydrophobicContact CB-CB 3.95Å; L27-R30 HydrophobicContact CD2-CB 4.31Å; L27-R30 HydrophobicContact CG-CB 4.31Å; L27-R30 WeakPolarHBondContact O-CB 3.36Å; L27-R30 PolarHBondContact O-N 3.5Å; L27-I31 PolarHBondContact O-N 2.79Å; L27-I31 VanDerWaalsContact O-N 3.1Å; L27-I142 HydrophobicContact CB-CG2 4.41Å; L27-I142 HydrophobicContact CD2-CD1 3.87Å; L27-I142 HydrophobicContact CD2-CG2 4.23Å; L27-M145 HydrophobicContact CD1-CB 4.18Å; L27-M145 HydrophobicContact CD2-CB 4.31Å; L27-M145 HydrophobicContact CD2-CE 4.08Å; L27-E149 HydrophobicContact CD1-CB 4.37Å; L27-E149 WeakPolarHBondContact CD1-OE1 3.44Å; L27-I179 HydrophobicContact CD2-CG2 3.45Å; L27-I179 VanDerWaalsContact CD2-CG2 3.45Å
28T98.2Very high97.4Very high33 Ų3332.6 Ų32.620%0.20217%0.17CC..Hα-helixtrans-56.7-51.5-176.2-57.10000111.7R30 I31 H32 W84 E149T28-R30 PolarHBondContact O-N 3.41Å; T28-I31 WeakPolarHBondContact O-CG2 3.19Å; T28-I31 PolarHBondContact O-N 2.94Å; T28-H32 WeakPolarHBondContact CG2-CE1 3.14Å; T28-H32 WeakPolarHBondContact O-CB 3.21Å; T28-H32 VanDerWaalsContact O-CG 3.28Å; T28-H32 PolarHBondContact O-N 3.37Å; T28-W84 HydrophobicContact CG2-CH2 4.22Å; T28-W84 WeakPolarHBondContact OG1-CH2 3.25Å; T28-E149 VanDerWaalsContact CB-OE2 3.23Å; T28-E149 WeakPolarHBondContact CB-OE2 3.37Å; T28-E149 PolarHBondContact N-OE2 3Å; T28-E149 PolarHBondContact OG1-OE2 3.15Å
29E96.9Very high97.4Very high80 Ų8033.7 Ų33.737%0.37418%0.182SC..Hα-helixtrans-58.2-36.1178.6-67.2-170.6166.500111.8L27 L33 I179L27-E29 PolarHBondContact O-N 3.4Å; E29-L33 PolarHBondContact O-N 2.98Å; E29-I179 HydrophobicContact CB-CD1 4.18Å; E29-I179 HydrophobicContact CB-CG1 4.27Å
30R96.7Very high97.4Very high28 Ų2836.8 Ų36.811%0.10620%0.196CC..Hα-helixtrans-68.4-48-179176.759.8-172.291.1-3.4112.4S24 L27 T28 H32 L33 I142S24-R30 WeakPolarHBondContact O-CG 3.44Å; L27-R30 HydrophobicContact CB-CB 3.95Å; L27-R30 HydrophobicContact CD2-CB 4.31Å; L27-R30 HydrophobicContact CG-CB 4.31Å; L27-R30 WeakPolarHBondContact O-CB 3.36Å; L27-R30 PolarHBondContact O-N 3.5Å; T28-R30 PolarHBondContact O-N 3.41Å; R30-H32 VanDerWaalsContact C-N 3.28Å; R30-L33 PolarHBondContact O-N 2.84Å; R30-I142 HydrophobicContact CB-CG2 4.42Å; R30-I142 HydrophobicContact CG-CG2 4.31Å
31I96.9Very high97.3Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-66.2-36.1179.3-173.7170.6000110.4Y19 N25 L27 T28 L33 R34 N35 A38 W84Y19-I31 HydrophobicContact CD1-CD1 4.19Å; Y19-I31 HydrophobicContact CE1-CD1 4.07Å; N25-I31 HydrophobicContact CB-CB 4.2Å; N25-I31 HydrophobicContact CB-CD1 4.27Å; N25-I31 HydrophobicContact CB-CG1 4.41Å; L27-I31 PolarHBondContact O-N 2.79Å; L27-I31 VanDerWaalsContact O-N 3.1Å; T28-I31 WeakPolarHBondContact O-CG2 3.19Å; T28-I31 PolarHBondContact O-N 2.94Å; I31-L33 VanDerWaalsContact C-N 3.27Å; I31-L33 PolarHBondContact O-N 2.97Å; I31-R34 PolarHBondContact O-N 2.96Å; I31-N35 HydrophobicContact CG1-CB 4.19Å; I31-N35 PolarHBondContact O-N 2.82Å; I31-A38 HydrophobicContact CD1-CB 3.77Å; I31-A38 HydrophobicContact CG1-CB 4.09Å; I31-W84 HydrophobicContact CD1-CB 4.33Å; I31-W84 HydrophobicContact CD1-CD2 3.84Å; I31-W84 HydrophobicContact CD1-CG 3.66Å; I31-W84 HydrophobicContact CG2-CD2 4.35Å; I31-W84 HydrophobicContact CG2-CE3 4.46Å; I31-W84 HydrophobicContact CG2-CH2 3.94Å; I31-W84 HydrophobicContact CG2-CZ2 3.76Å; I31-W84 HydrophobicContact CG2-CZ3 4.27Å
32H97.2Very high97.2Very high69 Ų6937.6 Ų37.632%0.31920%0.2SC..Hα-helixtrans-67.5-20.2-179.9-73.3179.3000114.7T28 R30 R34 N35 A38T28-H32 WeakPolarHBondContact CG2-CE1 3.14Å; T28-H32 WeakPolarHBondContact O-CB 3.21Å; T28-H32 VanDerWaalsContact O-CG 3.28Å; T28-H32 PolarHBondContact O-N 3.37Å; R30-H32 VanDerWaalsContact C-N 3.28Å; H32-R34 PolarHBondContact O-N 2.8Å; H32-R34 VanDerWaalsContact O-N 3.15Å; H32-N35 PolarHBondContact CD2-O 2.05Å; H32-A38 PolarHBondContact NE2-O 3.29Å
33L94.9Very high97.2Very high79 Ų7937.4 Ų37.441%0.41420%0.2SC..THydrogen-bonded Turntrans-55.2-31.9171.6-69.6-178.4000112.7E29 R30 I31 E175 I176 I179E29-L33 PolarHBondContact O-N 2.98Å; R30-L33 PolarHBondContact O-N 2.84Å; I31-L33 VanDerWaalsContact C-N 3.27Å; I31-L33 PolarHBondContact O-N 2.97Å; L33-E175 HydrophobicContact CD1-CB 4.18Å; L33-E175 HydrophobicContact CD2-CB 4.32Å; L33-I176 HydrophobicContact CD1-CD1 3.92Å; L33-I179 HydrophobicContact CD1-CD1 3.93Å; L33-I179 HydrophobicContact CD2-CD1 4.48Å; L33-I179 HydrophobicContact CG-CD1 4.28Å
34R94.7Very high97.2Very high146 Ų14637 Ų3755%0.55120%0.195SC*.THydrogen-bonded Turntrans-123.9-22.1-176-63-58.1-62.4-101.7-3.4113.6I31 H32I31-R34 PolarHBondContact O-N 2.96Å; H32-R34 PolarHBondContact O-N 2.8Å; H32-R34 VanDerWaalsContact O-N 3.15Å
35N95.9Very high97.3Very high2 Ų240.3 Ų40.31%0.01121%0.206CC..  trans-13271177.4-62.3-80.6000110.2I31 H32 S37 A38 M86 Q97I31-N35 HydrophobicContact CG1-CB 4.19Å; I31-N35 PolarHBondContact O-N 2.82Å; H32-N35 PolarHBondContact CD2-O 2.05Å; N35-S37 PolarHBondContact O-N 2.84Å; N35-S37 VanDerWaalsContact O-N 3.14Å; N35-A38 HydrophobicContact CB-CB 4.21Å; N35-A38 VanDerWaalsContact O-CB 3.3Å; N35-A38 WeakPolarHBondContact O-CB 3.34Å; N35-A38 PolarHBondContact O-N 2.83Å; N35-M86 HydrophobicContact CB-CE 3.75Å; N35-M86 WeakPolarHBondContact OD1-CE 3.34Å; N35-Q97 PolarHBondContact ND2-OE1 2.63Å
36P95.6Very high97.3Very high97 Ų9740.4 Ų40.463%0.6321%0.207SC*.THydrogen-bonded Turntrans-64.6-18-174.526.4-36.1000114.1
37S95.4Very high97.3Very high70 Ų7043.7 Ų43.749%0.4922%0.222SC..THydrogen-bonded Turntrans-86.6-5175.957.10000113.9N35 A39 N90N35-S37 PolarHBondContact O-N 2.84Å; N35-S37 VanDerWaalsContact O-N 3.14Å; S37-A39 PolarHBondContact O-N 3.36Å; S37-N90 PolarHBondContact OG-OD1 3.23Å
38A97.7Very high97.3Very high3 Ų347 Ų473%0.02524%0.24CC..PPolyproline II helixtrans-63119.4-179.700000110.1I31 H32 N35 W84 M86I31-A38 HydrophobicContact CD1-CB 3.77Å; I31-A38 HydrophobicContact CG1-CB 4.09Å; H32-A38 PolarHBondContact NE2-O 3.29Å; N35-A38 HydrophobicContact CB-CB 4.21Å; N35-A38 VanDerWaalsContact O-CB 3.3Å; N35-A38 WeakPolarHBondContact O-CB 3.34Å; N35-A38 PolarHBondContact O-N 2.83Å; A38-W84 HydrophobicContact CB-CE3 4.21Å; A38-M86 HydrophobicContact CB-CG 4.04Å; A38-M86 HydrophobicContact CB-SD 4.33Å
39A98.1Very high97.3Very high49 Ų4946.9 Ų46.941%0.40524%0.237SC..EExtended strand (participates in β ladder)trans-102.4128.6-178.200000110S37 F41 W84 K85S37-A39 PolarHBondContact O-N 3.36Å; A39-F41 PolarHBondContact O-N 3.21Å; A39-W84 CarbonylContact O-C 3.53Å; A39-W84 WeakPolarHBondContact O-CA 3.49Å; A39-K85 PolarHBondContact N-O 3.44Å; A39-K85 PolarHBondContact O-N 3.06Å
40F98.2Very high97.4Very high76 Ų7647.6 Ų47.633%0.33324%0.238SC..EExtended strand (participates in β ladder)trans-55.2128172175.7-93.7000109.4C42 V43 V82 W84 N150F40-C42 VanDerWaalsContact CZ-CA 3.5Å; F40-V43 HydrophobicContact CE2-CG2 4.32Å; F40-V43 HydrophobicContact CZ-CG2 4.29Å; F40-V82 HydrophobicContact CD2-CG1 3.62Å; F40-V82 HydrophobicContact CE2-CG1 3.81Å; F40-W84 HydrophobicContact CB-CE3 4.32Å; F40-W84 HydrophobicContact CB-CH2 4.48Å; F40-W84 HydrophobicContact CB-CZ3 3.83Å; F40-N150 WeakPolarHBondContact CD2-OD1 2.86Å; F40-N150 HydrophobicContact CE2-CB 4.04Å; F40-N150 VanDerWaalsContact CE2-OD1 3.27Å; F40-N150 WeakPolarHBondContact CE2-OD1 3.3Å
41F97.3Very high97.5Very high16 Ų1647.6 Ų47.67%0.0724%0.24CC..EExtended strand (participates in β ladder)trans-104.3-62.2178.2-172.6-95.6000110.8C6 K7 V9 L18 A39 V83 K85 I120C6-F41 HydrophobicContact CB-CE1 4.24Å; K7-F41 HydrophobicContact CB-CE2 4.23Å; K7-F41 WeakPolarHBondContact O-CZ 3.15Å; V9-F41 HydrophobicContact CG2-CE1 4.31Å; V9-F41 HydrophobicContact CG2-CE2 3.96Å; V9-F41 HydrophobicContact CG2-CZ 3.4Å; L18-F41 HydrophobicContact CD2-CB 4.43Å; L18-F41 HydrophobicContact CD2-CD1 4.33Å; L18-F41 HydrophobicContact CD2-CD2 4.03Å; L18-F41 HydrophobicContact CD2-CE2 4.44Å; L18-F41 HydrophobicContact CD2-CG 3.98Å; A39-F41 PolarHBondContact O-N 3.21Å; F41-V83 WeakPolarHBondContact CA-O 3.24Å; F41-V83 HydrophobicContact CB-CB 4.21Å; F41-V83 HydrophobicContact CB-CG1 4Å; F41-V83 WeakPolarHBondContact CB-O 3.44Å; F41-V83 HydrophobicContact CD1-CB 4.28Å; F41-V83 HydrophobicContact CD1-CG1 3.92Å; F41-V83 HydrophobicContact CG-CG1 4.26Å; F41-V83 PolarHBondContact N-O 3.3Å; F41-K85 HydrophobicContact CB-CB 4.36Å; F41-K85 HydrophobicContact CD2-CB 4.25Å; F41-I120 HydrophobicContact CD1-CD1 4.23Å; F41-I120 HydrophobicContact CE1-CD1 3.65Å
42C97.8Very high97.6Very high2 Ų249.4 Ų49.41%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-170.8176.4166.149.30000112.7C6 F40 V83C6-C42 HydrophobicContact CB-CB 3.83Å; C6-C42 WeakPolarHBondContact CB-SG 3.19Å; C6-C42 WeakPolarHBondContact SG-CB 3.2Å; C6-C42 CovalentContact SG-SG 2.05Å; C6-C42 PolarHBondContact SG-SG 2.82Å; F40-C42 VanDerWaalsContact CZ-CA 3.5Å; C42-V83 PolarHBondContact N-O 2.84Å; C42-V83 WeakPolarHBondContact O-CB 3.29Å; C42-V83 PolarHBondContact O-N 3.16Å
43V98.4Very high97.6Very high6 Ų646.7 Ų46.74%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-84.9136.8168.61740000109.5F40 W80 G81 N150 L152F40-V43 HydrophobicContact CE2-CG2 4.32Å; F40-V43 HydrophobicContact CZ-CG2 4.29Å; V43-W80 HydrophobicContact CG1-CE3 3.74Å; V43-W80 HydrophobicContact CG1-CZ3 4.07Å; V43-G81 WeakPolarHBondContact CA-O 3.38Å; V43-N150 HydrophobicContact CG2-CB 4.37Å; V43-N150 WeakPolarHBondContact CG2-O 3.49Å; V43-L152 HydrophobicContact CG1-CD1 4.03Å; V43-L152 HydrophobicContact CG1-CG 4.11Å; V43-L152 HydrophobicContact CG2-CD1 3.86Å
44A98.6Very high97.8Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-141.4161.7179.900000112.2F20 G81 V83 V112 A113F20-A44 HydrophobicContact CE2-CB 4.36Å; F20-A44 WeakPolarHBondContact CE2-O 3.41Å; A44-G81 PolarHBondContact N-O 2.87Å; A44-G81 PolarHBondContact O-N 3.42Å; A44-V83 HydrophobicContact CB-CG2 3.7Å; A44-V112 HydrophobicContact CB-CB 3.8Å; A44-V112 HydrophobicContact CB-CG2 3.53Å; A44-A113 CarbonylContact C-O 3.59Å; A44-A113 WeakPolarHBondContact CA-O 3.37Å
45R98.6Very high98Very high82 Ų8237 Ų3731%0.30920%0.197SC..EExtended strand (participates in β ladder)trans-111.2129.8178.1-178.2-177.861.21646.8111E78 W80 V112 A113R45-E78 WeakPolarHBondContact CD-OE2 3.27Å; R45-E78 HydrophobicContact CG-CB 3.94Å; R45-E78 IonicContact CZ-OE2 4Å; R45-E78 IonicContact NE-OE2 2.8Å; R45-E78 IonicContact NH1-OE2 2.68Å; R45-E78 PolarHBondContact NH1-OE2 3.28Å; R45-W80 HydrophobicContact CB-CD2 3.88Å; R45-W80 HydrophobicContact CB-CE3 3.94Å; R45-W80 HydrophobicContact CB-CH2 3.9Å; R45-W80 HydrophobicContact CB-CZ2 3.81Å; R45-W80 HydrophobicContact CB-CZ3 3.95Å; R45-W80 HydrophobicContact CG-CD2 4.25Å; R45-W80 HydrophobicContact CG-CZ2 4.11Å; R45-V112 CarbonylContact O-C 3.35Å; R45-V112 VanDerWaalsContact O-CA 3.25Å; R45-V112 WeakPolarHBondContact O-CA 3.44Å; R45-V112 WeakPolarHBondContact O-CB 3.47Å; R45-A113 PolarHBondContact N-O 3.41Å; R45-A113 PolarHBondContact O-N 3.5Å
46L98.7Very high98Very high4 Ų437.5 Ų37.52%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-95.9115.2166-179.658.7000109.5F20 F49 I71 E78 V79 V110 K111 V112F20-L46 HydrophobicContact CE1-CB 3.89Å; F20-L46 HydrophobicContact CE1-CD2 4.15Å; F20-L46 HydrophobicContact CZ-CB 4.02Å; L46-F49 HydrophobicContact CD1-CD2 3.79Å; L46-F49 HydrophobicContact CD1-CE2 4.02Å; L46-F49 HydrophobicContact CD2-CB 3.85Å; L46-F49 HydrophobicContact CD2-CD1 4.11Å; L46-F49 HydrophobicContact CD2-CD2 3.72Å; L46-F49 HydrophobicContact CD2-CE2 4.28Å; L46-F49 HydrophobicContact CD2-CG 3.62Å; L46-F49 HydrophobicContact CG-CB 3.96Å; L46-F49 HydrophobicContact CG-CD2 3.56Å; L46-F49 HydrophobicContact CG-CE2 4.24Å; L46-F49 HydrophobicContact CG-CG 3.87Å; L46-I71 HydrophobicContact CD2-CD1 3.59Å; L46-E78 WeakPolarHBondContact O-CA 3.23Å; L46-V79 HydrophobicContact CB-CB 4.34Å; L46-V79 PolarHBondContact N-O 2.81Å; L46-V79 PolarHBondContact O-N 3.24Å; L46-V110 HydrophobicContact CD1-CB 3.84Å; L46-V110 HydrophobicContact CD1-CG1 4.2Å; L46-V110 HydrophobicContact CD2-CB 4.45Å; L46-V110 HydrophobicContact CD2-CG1 4.17Å; L46-K111 WeakPolarHBondContact CD1-O 3.46Å; L46-V112 HydrophobicContact CB-CG1 3.98Å; L46-V112 HydrophobicContact CD1-CG1 4.12Å
47Q98.4Very high98Very high71 Ų7136.5 Ų36.533%0.33219%0.188SC..EExtended strand (participates in β ladder)trans-86.2147.3180-17858.455.900111.1F49 D77Q47-F49 VanDerWaalsContact C-N 3.28Å; Q47-F49 WeakPolarHBondContact O-CD2 3.39Å; Q47-F49 PolarHBondContact O-N 3.15Å; Q47-D77 PolarHBondContact NE2-O 2.79Å; Q47-D77 VanDerWaalsContact NE2-O 3.11Å
48D98.5Very high98Very high74 Ų7434.6 Ų34.640%0.39618%0.179SC..EExtended strand (participates in β ladder)trans66.127.7177.8-56.3-34.2000114.3Q73 S74 G76 D77D48-Q73 WeakPolarHBondContact O-CA 3.5Å; D48-S74 CarbonylContact C-O 3.59Å; D48-S74 WeakPolarHBondContact CA-O 3.49Å; D48-S74 CarbonylContact O-C 3.59Å; D48-S74 PolarHBondContact O-N 3.35Å; D48-G76 PolarHBondContact OD1-N 3Å; D48-D77 WeakPolarHBondContact CA-O 3.43Å; D48-D77 PolarHBondContact N-O 3.03Å
49F98.8Very high98Very high31 Ų3141.1 Ų41.114%0.13621%0.207CC..EExtended strand (participates in β ladder)trans-129153.5171.1-76.4-102.7000110L46 Q47 I71 F72 Q73 D77 E78 V79L46-F49 HydrophobicContact CD1-CD2 3.79Å; L46-F49 HydrophobicContact CD1-CE2 4.02Å; L46-F49 HydrophobicContact CD2-CB 3.85Å; L46-F49 HydrophobicContact CD2-CD1 4.11Å; L46-F49 HydrophobicContact CD2-CD2 3.72Å; L46-F49 HydrophobicContact CD2-CE2 4.28Å; L46-F49 HydrophobicContact CD2-CG 3.62Å; L46-F49 HydrophobicContact CG-CB 3.96Å; L46-F49 HydrophobicContact CG-CD2 3.56Å; L46-F49 HydrophobicContact CG-CE2 4.24Å; L46-F49 HydrophobicContact CG-CG 3.87Å; Q47-F49 VanDerWaalsContact C-N 3.28Å; Q47-F49 WeakPolarHBondContact O-CD2 3.39Å; Q47-F49 PolarHBondContact O-N 3.15Å; F49-I71 HydrophobicContact CD1-CB 4.16Å; F49-I71 HydrophobicContact CD1-CD1 3.95Å; F49-I71 HydrophobicContact CD1-CG1 4.17Å; F49-I71 HydrophobicContact CE1-CD1 4.33Å; F49-F72 CarbonylContact C-O 3.55Å; F49-F72 VanDerWaalsContact CA-O 3.28Å; F49-F72 WeakPolarHBondContact CA-O 3.38Å; F49-Q73 HydrophobicContact CE1-CG 3.95Å; F49-Q73 HydrophobicContact CZ-CG 3.95Å; F49-D77 CarbonylContact O-C 3.56Å; F49-D77 VanDerWaalsContact O-C 3.28Å; F49-D77 WeakPolarHBondContact O-CB 3.32Å; F49-E78 CarbonylContact O-C 3.58Å; F49-E78 WeakPolarHBondContact O-CA 3.4Å; F49-E78 PolarHBondContact O-N 3.44Å; F49-E78 VanDerWaalsContact O-N 3.15Å; F49-V79 HydrophobicContact CB-CG2 4.17Å
50K98.7Very high97.9Very high94 Ų9441.9 Ų41.941%0.40921%0.207SC..EExtended strand (participates in β ladder)trans-125.3141.4173.5-176169.1179.6175.50110.8I71 F72 D77K50-I71 VanDerWaalsContact O-CA 3.29Å; K50-I71 WeakPolarHBondContact O-CA 3.35Å; K50-F72 HydrophobicContact CB-CD1 4.48Å; K50-F72 HydrophobicContact CB-CE1 3.88Å; K50-F72 HydrophobicContact CB-CE2 4.33Å; K50-F72 HydrophobicContact CB-CZ 3.83Å; K50-F72 HydrophobicContact CD-CE1 4.3Å; K50-F72 HydrophobicContact CD-CZ 3.84Å; K50-F72 HydrophobicContact CG-CE1 4.05Å; K50-F72 HydrophobicContact CG-CZ 4.04Å; K50-F72 PolarHBondContact N-O 3.35Å; K50-F72 WeakPolarHBondContact O-CD1 3.34Å; K50-F72 PolarHBondContact O-N 3.09Å; K50-F72 VanDerWaalsContact O-N 3.13Å; K50-D77 HydrophobicContact CB-CB 3.95Å
51L98.8Very high97.8Very high28 Ų2839.1 Ų39.115%0.14720%0.197CC..EExtended strand (participates in β ladder)trans-74.2135.1172.9-176.971.2000109.9Y22 F53 A69 I71 V79 L160Y22-L51 HydrophobicContact CD2-CD1 3.66Å; Y22-L51 HydrophobicContact CE2-CD1 4.22Å; L51-F53 HydrophobicContact CD2-CE2 3.87Å; L51-F53 HydrophobicContact CD2-CZ 4.01Å; L51-F53 HydrophobicContact CG-CE2 4.03Å; L51-F53 HydrophobicContact CG-CZ 4.4Å; L51-A69 HydrophobicContact CD1-CB 3.78Å; L51-I71 HydrophobicContact CD1-CG2 4.46Å; L51-V79 HydrophobicContact CB-CG2 4.2Å; L51-L160 HydrophobicContact CD2-CD2 3.59Å
52D98.6Very high97.7Very high38 Ų3845.7 Ų45.720%0.20323%0.228CC..EExtended strand (participates in β ladder)trans-136.2168.7169.2-160.38.4000110.4A69 T70 F72 Y130 S132D52-A69 WeakPolarHBondContact O-CB 3.42Å; D52-T70 HydrophobicContact CB-CG2 3.94Å; D52-T70 PolarHBondContact N-O 3Å; D52-T70 PolarHBondContact O-N 3.12Å; D52-T70 VanDerWaalsContact O-O 3.08Å; D52-F72 HydrophobicContact CB-CD1 4.02Å; D52-F72 HydrophobicContact CB-CE1 3.89Å; D52-Y130 HydrophobicContact CB-CE2 4.48Å; D52-Y130 WeakPolarHBondContact OD2-CE2 3.47Å; D52-Y130 PolarHBondContact OD2-OH 3.32Å; D52-S132 PolarHBondContact OD2-OG 3.3Å
53F98.7Very high97.5Very high12 Ų1249.3 Ų49.35%0.05325%0.25CC..EExtended strand (participates in β ladder)trans-123.1133.9173.2-65.3-96.3000109.1L51 I68 A69 S132 A133 P135 Y139 I143 I163L51-F53 HydrophobicContact CD2-CE2 3.87Å; L51-F53 HydrophobicContact CD2-CZ 4.01Å; L51-F53 HydrophobicContact CG-CE2 4.03Å; L51-F53 HydrophobicContact CG-CZ 4.4Å; F53-I68 WeakPolarHBondContact CA-O 3.44Å; F53-A69 HydrophobicContact CD1-CB 3.63Å; F53-A69 HydrophobicContact CE1-CB 3.43Å; F53-A69 VanDerWaalsContact CE1-CB 3.43Å; F53-A69 HydrophobicContact CE2-CB 4.5Å; F53-A69 HydrophobicContact CG-CB 4.31Å; F53-A69 HydrophobicContact CZ-CB 3.9Å; F53-S132 CarbonylContact O-C 3.5Å; F53-S132 WeakPolarHBondContact O-CA 3.38Å; F53-A133 CarbonylContact C-O 3.42Å; F53-A133 VanDerWaalsContact C-O 3.25Å; F53-A133 WeakPolarHBondContact CB-O 3.03Å; F53-A133 PolarHBondContact O-N 3.03Å; F53-P135 HydrophobicContact CD1-CB 3.6Å; F53-P135 HydrophobicContact CD1-CG 3.85Å; F53-P135 HydrophobicContact CD2-CG 4.44Å; F53-P135 HydrophobicContact CE1-CB 3.94Å; F53-P135 HydrophobicContact CE1-CG 4.04Å; F53-P135 HydrophobicContact CG-CB 4.17Å; F53-P135 HydrophobicContact CG-CG 4.04Å; F53-P135 HydrophobicContact CZ-CG 4.47Å; F53-Y139 HydrophobicContact CD1-CD1 4.16Å; F53-Y139 AromaticContact CD1-CE1 3.89Å; F53-Y139 HydrophobicContact CD1-CE1 3.89Å; F53-Y139 HydrophobicContact CE1-CD1 4.01Å; F53-Y139 AromaticContact CE1-CE1 3.69Å; F53-Y139 HydrophobicContact CE1-CE1 3.69Å; F53-I143 HydrophobicContact CE1-CD1 3.56Å; F53-I143 HydrophobicContact CZ-CD1 3.95Å; F53-I163 HydrophobicContact CD2-CD1 4.5Å; F53-I163 HydrophobicContact CE2-CD1 3.46Å; F53-I163 VanDerWaalsContact CE2-CD1 3.46Å; F53-I163 HydrophobicContact CE2-CG1 4.37Å; F53-I163 HydrophobicContact CE2-CG2 4.34Å; F53-I163 HydrophobicContact CZ-CD1 3.79Å
54G98.2Very high97.5Very high1 Ų149.8 Ų49.81%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-145.6148.6-168.600000114.8G67 I68 E131G54-G67 WeakPolarHBondContact O-CA 3.3Å; G54-I68 PolarHBondContact N-O 3.48Å; G54-I68 PolarHBondContact O-N 3.32Å; G54-E131 CarbonylContact C-O 3.25Å; G54-E131 VanDerWaalsContact CA-O 3.27Å; G54-E131 WeakPolarHBondContact CA-O 3.32Å
55N98.2Very high97.4Very high21 Ų2152.2 Ų52.211%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-87104.1164.4-71.2-21.1000108.5Q57 G58 T60 Y130 E131 A133N55-Q57 PolarHBondContact O-N 2.95Å; N55-G58 PolarHBondContact O-N 2.74Å; N55-T60 WeakPolarHBondContact OD1-CA 3.45Å; N55-Y130 WeakPolarHBondContact O-CA 3.43Å; N55-E131 PolarHBondContact N-O 3.21Å; N55-E131 PolarHBondContact O-N 2.95Å; N55-E131 VanDerWaalsContact O-N 3.07Å; N55-A133 HydrophobicContact CB-CB 4.49Å; N55-A133 WeakPolarHBondContact ND2-CB 3.39Å
56S97.3Very high97.4Very high13 Ų1348.5 Ų48.59%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-55.7125.8176.5161.60000110.5G58 K59 M104S56-G58 PolarHBondContact O-N 2.8Å; S56-K59 WeakPolarHBondContact O-CB 3.46Å; S56-K59 PolarHBondContact O-N 2.92Å; S56-M104 WeakPolarHBondContact OG-CA 3.42Å
57Q95.8Very high97.4Very high76 Ų7648.3 Ų48.336%0.35525%0.248SC..THydrogen-bonded Turntrans5432-178-52.11706.600113.2N55 K59 S102 G103 N129N55-Q57 PolarHBondContact O-N 2.95Å; Q57-K59 PolarHBondContact O-N 2.86Å; Q57-S102 PolarHBondContact NE2-O 3.11Å; Q57-S102 VanDerWaalsContact NE2-O 3.14Å; Q57-G103 PolarHBondContact NE2-O 2.85Å; Q57-N129 PolarHBondContact N-O 3.11Å
58G95.6Very high97.4Very high30 Ų3045.5 Ų45.531%0.30924%0.235SC..THydrogen-bonded Turntrans709.4-176.100000114.3N55 S56N55-G58 PolarHBondContact O-N 2.74Å; S56-G58 PolarHBondContact O-N 2.8Å
59K96.4Very high97.4Very high140 Ų14042 Ų4261%0.60922%0.217SC*.PPolyproline II helixtrans-103.5120.7-177.5-63.7170.7-172.6163.40110.8S56 Q57 S61S56-K59 WeakPolarHBondContact O-CB 3.46Å; S56-K59 PolarHBondContact O-N 2.92Å; Q57-K59 PolarHBondContact O-N 2.86Å; K59-S61 PolarHBondContact O-N 3.23Å
60T96.5Very high97.4Very high65 Ų6540.5 Ų40.540%0.39921%0.21SC..PPolyproline II helixtrans-60.4135.3171.6-50.90000110.8N55 Q62N55-T60 WeakPolarHBondContact OD1-CA 3.45Å; T60-Q62 PolarHBondContact O-N 3.43Å; T60-Q62 PolarHBondContact O-NE2 2.85Å
61S96.5Very high97.4Very high17 Ų1736.1 Ų36.112%0.11919%0.191CC..PPolyproline II helixtrans-57.2126176-179.90000110.7K59 T63 W64 H65K59-S61 PolarHBondContact O-N 3.23Å; S61-T63 VanDerWaalsContact C-N 3.27Å; S61-T63 PolarHBondContact OG-N 2.61Å; S61-W64 PolarHBondContact OG-N 2.71Å; S61-W64 VanDerWaalsContact OG-N 3.1Å; S61-H65 WeakPolarHBondContact O-CA 3.25Å; S61-H65 PolarHBondContact O-N 2.93Å
62Q94.2Very high97.4Very high155 Ų15538.3 Ų38.372%0.72420%0.2SC*.THydrogen-bonded Turntrans-74.4-22.3175.2-61.5-57.5-63.600112.4T60 H65T60-Q62 PolarHBondContact O-N 3.43Å; T60-Q62 PolarHBondContact O-NE2 2.85Å; Q62-H65 PolarHBondContact O-CE1 2.81Å; Q62-H65 PolarHBondContact O-NE2 2.87Å
63T94.6Very high97.4Very high78 Ų7844.1 Ų44.148%0.47923%0.225SC..THydrogen-bonded Turntrans-84.9-38.9178.1-53.60000111.5S61S61-T63 VanDerWaalsContact C-N 3.27Å; S61-T63 PolarHBondContact OG-N 2.61Å
64W97.4Very high97.4Very high15 Ų1544.6 Ų44.66%0.05723%0.231CC..THydrogen-bonded Turntrans-108.1-9.5-172.6-66.3115.1000114S61 G66 I68 S136 Y139 I142 V172 I176S61-W64 PolarHBondContact OG-N 2.71Å; S61-W64 VanDerWaalsContact OG-N 3.1Å; W64-G66 PolarHBondContact O-N 2.83Å; W64-G66 VanDerWaalsContact O-N 3.16Å; W64-I68 HydrophobicContact CB-CG2 3.84Å; W64-I68 HydrophobicContact CG-CG2 4.02Å; W64-S136 WeakPolarHBondContact O-CB 3.37Å; W64-S136 PolarHBondContact O-OG 2.86Å; W64-Y139 HydrophobicContact CB-CD2 4.23Å; W64-Y139 HydrophobicContact CB-CG 4.3Å; W64-Y139 AromaticContact CD1-CD2 3.98Å; W64-Y139 AromaticContact CD1-CE2 3.94Å; W64-Y139 AromaticContact CD2-CD2 3.16Å; W64-Y139 HydrophobicContact CD2-CD2 3.16Å; W64-Y139 AromaticContact CD2-CE2 3.79Å; W64-Y139 HydrophobicContact CD2-CE2 3.79Å; W64-Y139 AromaticContact CD2-CG 3.97Å; W64-Y139 HydrophobicContact CD2-CG 3.97Å; W64-Y139 AromaticContact CE2-CD2 3.34Å; W64-Y139 AromaticContact CE2-CE2 3.5Å; W64-Y139 AromaticContact CE3-CD2 3.38Å; W64-Y139 HydrophobicContact CE3-CD2 3.38Å; W64-Y139 HydrophobicContact CE3-CE2 4.38Å; W64-Y139 AromaticContact CE3-CG 3.99Å; W64-Y139 HydrophobicContact CE3-CG 3.99Å; W64-Y139 AromaticContact CG-CD2 3.57Å; W64-Y139 HydrophobicContact CG-CD2 3.57Å; W64-Y139 HydrophobicContact CG-CE2 4Å; W64-Y139 HydrophobicContact CG-CG 4.13Å; W64-Y139 AromaticContact CH2-CD2 3.85Å; W64-Y139 HydrophobicContact CH2-CD2 3.85Å; W64-Y139 HydrophobicContact CH2-CE2 4.4Å; W64-Y139 AromaticContact CZ2-CD2 3.68Å; W64-Y139 HydrophobicContact CZ2-CD2 3.68Å; W64-Y139 AromaticContact CZ2-CE2 3.83Å; W64-Y139 HydrophobicContact CZ2-CE2 3.83Å; W64-Y139 AromaticContact CZ3-CD2 3.71Å; W64-Y139 HydrophobicContact CZ3-CD2 3.71Å; W64-Y139 HydrophobicContact CZ3-CG 4.49Å; W64-Y139 AromaticContact NE1-CD2 3.85Å; W64-Y139 AromaticContact NE1-CE2 3.63Å; W64-I142 HydrophobicContact CH2-CB 4.31Å; W64-I142 HydrophobicContact CH2-CG1 3.99Å; W64-I142 HydrophobicContact CH2-CG2 4.25Å; W64-I142 HydrophobicContact CZ3-CG1 4.06Å; W64-V172 HydrophobicContact CE3-CG1 4.34Å; W64-I176 HydrophobicContact CH2-CD1 3.99Å; W64-I176 HydrophobicContact CH2-CG1 4.37Å; W64-I176 HydrophobicContact CH2-CG2 3.99Å; W64-I176 HydrophobicContact CZ3-CG2 3.76Å
65H97.7Very high97.4Very high52 Ų5250.2 Ų50.224%0.24127%0.267CS..SBendtrans52.736.3177.1-54.2-73000114.2S61 Q62 N166 Y168S61-H65 WeakPolarHBondContact O-CA 3.25Å; S61-H65 PolarHBondContact O-N 2.93Å; Q62-H65 PolarHBondContact O-CE1 2.81Å; Q62-H65 PolarHBondContact O-NE2 2.87Å; H65-N166 PolarHBondContact O-ND2 2.9Å; H65-Y168 HydrophobicContact CB-CD1 3.8Å; H65-Y168 HydrophobicContact CB-CD2 3.47Å; H65-Y168 VanDerWaalsContact CB-CD2 3.47Å; H65-Y168 HydrophobicContact CB-CE1 3.77Å; H65-Y168 HydrophobicContact CB-CE2 3.42Å; H65-Y168 VanDerWaalsContact CB-CE2 3.42Å; H65-Y168 HydrophobicContact CB-CG 3.64Å; H65-Y168 AromaticContact CD2-CE1 3.61Å; H65-Y168 AromaticContact CD2-CE2 3.88Å; H65-Y168 AromaticContact CD2-CZ 3.25Å; H65-Y168 PolarHBondContact CD2-OH 2.81Å; H65-Y168 AromaticContact CG-CE1 3.83Å; H65-Y168 AromaticContact CG-CE2 3.43Å; H65-Y168 VanDerWaalsContact CG-CE2 3.43Å; H65-Y168 AromaticContact CG-CZ 3.31Å; H65-Y168 AromaticContact ND1-CE2 3.82Å; H65-Y168 AromaticContact ND1-CZ 3.94Å; H65-Y168 AromaticContact NE2-CZ 3.86Å; H65-Y168 PolarHBondContact NE2-OH 3.22Å
66G98Very high97.3Very high3 Ų352.3 Ų52.33%0.03129%0.293CS..SBendtrans-175.4-174.8178.800000111.4W64 N166W64-G66 PolarHBondContact O-N 2.83Å; W64-G66 VanDerWaalsContact O-N 3.16Å; G66-N166 VanDerWaalsContact CA-ND2 3.33Å; G66-N166 WeakPolarHBondContact CA-ND2 3.42Å
67G98.4Very high97.4Very high0 Ų054.2 Ų54.20%030%0.303CS..  trans-64.5140.9173.100000111.3G54 P134 P135G54-G67 WeakPolarHBondContact O-CA 3.3Å; G67-P134 PolarHBondContact N-O 3.25Å; G67-P135 VanDerWaalsContact O-CA 3.29Å; G67-P135 WeakPolarHBondContact O-CA 3.48Å
68I98.4Very high97.5Very high12 Ų1253.2 Ų53.26%0.06230%0.298CS..EExtended strand (participates in β ladder)trans-112.7162.4-18065176.1000111.7F53 G54 W64 T70 M104 Y105 M127 Y139F53-I68 WeakPolarHBondContact CA-O 3.44Å; G54-I68 PolarHBondContact N-O 3.48Å; G54-I68 PolarHBondContact O-N 3.32Å; W64-I68 HydrophobicContact CB-CG2 3.84Å; W64-I68 HydrophobicContact CG-CG2 4.02Å; I68-T70 PolarHBondContact O-N 3.43Å; I68-M104 HydrophobicContact CD1-CG 4.39Å; I68-M104 HydrophobicContact CD1-SD 3.71Å; I68-Y105 HydrophobicContact CD1-CE2 3.87Å; I68-M127 HydrophobicContact CD1-CE 3.49Å; I68-M127 VanDerWaalsContact CD1-CE 3.49Å; I68-M127 HydrophobicContact CG1-CE 3.17Å; I68-Y139 HydrophobicContact CB-CE1 4.1Å; I68-Y139 HydrophobicContact CG2-CE1 4.34Å
69A98.7Very high97.7Very high1 Ų151.8 Ų51.81%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-42.6102.3-177.100000117.5Y22 L51 D52 F53 Y105 Y139Y22-A69 HydrophobicContact CE2-CB 4.4Å; Y22-A69 WeakPolarHBondContact CE2-O 3.47Å; Y22-A69 PolarHBondContact OH-O 2.93Å; L51-A69 HydrophobicContact CD1-CB 3.78Å; D52-A69 WeakPolarHBondContact O-CB 3.42Å; F53-A69 HydrophobicContact CD1-CB 3.63Å; F53-A69 HydrophobicContact CE1-CB 3.43Å; F53-A69 VanDerWaalsContact CE1-CB 3.43Å; F53-A69 HydrophobicContact CE2-CB 4.5Å; F53-A69 HydrophobicContact CG-CB 4.31Å; F53-A69 HydrophobicContact CZ-CB 3.9Å; A69-Y105 WeakPolarHBondContact O-CE1 3.45Å; A69-Y105 VanDerWaalsContact O-CZ 3.26Å; A69-Y105 PolarHBondContact O-OH 2.97Å; A69-Y139 HydrophobicContact CB-CE1 4.25Å; A69-Y139 PolarHBondContact N-OH 3.15Å; A69-Y139 VanDerWaalsContact N-OH 3.13Å
70T98.7Very high97.8Very high0 Ų046.5 Ų46.50%026%0.259CS..EExtended strand (participates in β ladder)trans-127.4164.4167.3-165.10000112.8D52 I68 M127 Y130D52-T70 HydrophobicContact CB-CG2 3.94Å; D52-T70 PolarHBondContact N-O 3Å; D52-T70 PolarHBondContact O-N 3.12Å; D52-T70 VanDerWaalsContact O-O 3.08Å; I68-T70 PolarHBondContact O-N 3.43Å; T70-M127 WeakPolarHBondContact OG1-CB 3.41Å; T70-M127 PolarHBondContact OG1-N 3.05Å; T70-Y130 HydrophobicContact CG2-CD1 4.17Å; T70-Y130 HydrophobicContact CG2-CD2 4.27Å; T70-Y130 HydrophobicContact CG2-CE1 3.76Å; T70-Y130 HydrophobicContact CG2-CE2 3.86Å; T70-Y130 HydrophobicContact CG2-CG 4.4Å
71I98.8Very high97.9Very high1 Ų143.4 Ų43.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-127.2148.9172.356174.6000110Y22 L46 F49 K50 L51 V79 I108 L126Y22-I71 HydrophobicContact CD1-CD1 4.17Å; Y22-I71 HydrophobicContact CD1-CG2 4.04Å; Y22-I71 HydrophobicContact CD2-CG2 3.76Å; Y22-I71 HydrophobicContact CE1-CD1 3.69Å; Y22-I71 HydrophobicContact CE1-CG1 3.84Å; Y22-I71 HydrophobicContact CE1-CG2 3.95Å; Y22-I71 HydrophobicContact CE2-CG2 3.69Å; Y22-I71 HydrophobicContact CG-CG2 3.96Å; L46-I71 HydrophobicContact CD2-CD1 3.59Å; F49-I71 HydrophobicContact CD1-CB 4.16Å; F49-I71 HydrophobicContact CD1-CD1 3.95Å; F49-I71 HydrophobicContact CD1-CG1 4.17Å; F49-I71 HydrophobicContact CE1-CD1 4.33Å; K50-I71 VanDerWaalsContact O-CA 3.29Å; K50-I71 WeakPolarHBondContact O-CA 3.35Å; L51-I71 HydrophobicContact CD1-CG2 4.46Å; I71-V79 HydrophobicContact CG2-CB 4.46Å; I71-V79 HydrophobicContact CG2-CG1 4.1Å; I71-V79 HydrophobicContact CG2-CG2 3.88Å; I71-I108 HydrophobicContact CD1-CD1 4.1Å; I71-L126 HydrophobicContact CG1-CB 3.87Å; I71-L126 WeakPolarHBondContact O-CB 3.42Å
72F98.3Very high98Very high75 Ų7542.6 Ų42.633%0.32924%0.235SC..EExtended strand (participates in β ladder)trans-138.9156.2173.867.3-84.3000109.8F49 K50 D52 S74F49-F72 CarbonylContact C-O 3.55Å; F49-F72 VanDerWaalsContact CA-O 3.28Å; F49-F72 WeakPolarHBondContact CA-O 3.38Å; K50-F72 HydrophobicContact CB-CD1 4.48Å; K50-F72 HydrophobicContact CB-CE1 3.88Å; K50-F72 HydrophobicContact CB-CE2 4.33Å; K50-F72 HydrophobicContact CB-CZ 3.83Å; K50-F72 HydrophobicContact CD-CE1 4.3Å; K50-F72 HydrophobicContact CD-CZ 3.84Å; K50-F72 HydrophobicContact CG-CE1 4.05Å; K50-F72 HydrophobicContact CG-CZ 4.04Å; K50-F72 PolarHBondContact N-O 3.35Å; K50-F72 WeakPolarHBondContact O-CD1 3.34Å; K50-F72 PolarHBondContact O-N 3.09Å; K50-F72 VanDerWaalsContact O-N 3.13Å; D52-F72 HydrophobicContact CB-CD1 4.02Å; D52-F72 HydrophobicContact CB-CE1 3.89Å; F72-S74 PolarHBondContact O-N 2.93Å
73Q98.2Very high98.2Very high159 Ų15935.2 Ų35.274%0.74320%0.2SC*.EExtended strand (participates in β ladder)trans-63.9127.6178.3-69.1-1787.600110.1D48 F49D48-Q73 WeakPolarHBondContact O-CA 3.5Å; F49-Q73 HydrophobicContact CE1-CG 3.95Å; F49-Q73 HydrophobicContact CZ-CG 3.95Å
74S98.5Very high98.4Very high23 Ų2331.6 Ų31.616%0.16118%0.178CC..EExtended strand (participates in β ladder)trans-151.293.9179.4-166.60000108.3D48 F72 G76 D77D48-S74 CarbonylContact C-O 3.59Å; D48-S74 WeakPolarHBondContact CA-O 3.49Å; D48-S74 CarbonylContact O-C 3.59Å; D48-S74 PolarHBondContact O-N 3.35Å; F72-S74 PolarHBondContact O-N 2.93Å; S74-G76 PolarHBondContact O-N 2.84Å; S74-D77 WeakPolarHBondContact CB-OD2 3.19Å; S74-D77 WeakPolarHBondContact O-CB 3.11Å; S74-D77 PolarHBondContact O-N 2.95Å; S74-D77 VanDerWaalsContact O-N 3.09Å; S74-D77 PolarHBondContact OG-OD2 3.28Å
75P98.4Very high98.4Very high118 Ų11834.6 Ų34.677%0.76619%0.191SC*.EExtended strand (participates in β ladder)trans-55.4130.5-177.1-27.635.7000112.6D77P75-D77 VanDerWaalsContact C-N 3.32Å
76G97.9Very high98.4Very high65 Ų6532.2 Ų32.267%0.6718%0.18SC*.EExtended strand (participates in β ladder)trans86.8-11.4-177.800000115.5D48 S74D48-G76 PolarHBondContact OD1-N 3Å; S74-G76 PolarHBondContact O-N 2.84Å
77D98.3Very high98.3Very high54 Ų5435 Ų3529%0.28920%0.195SC..EExtended strand (participates in β ladder)trans-85.8168.9168.4-74.6-65.6000111.6Q47 D48 F49 K50 S74 P75Q47-D77 PolarHBondContact NE2-O 2.79Å; Q47-D77 VanDerWaalsContact NE2-O 3.11Å; D48-D77 WeakPolarHBondContact CA-O 3.43Å; D48-D77 PolarHBondContact N-O 3.03Å; F49-D77 CarbonylContact O-C 3.56Å; F49-D77 VanDerWaalsContact O-C 3.28Å; F49-D77 WeakPolarHBondContact O-CB 3.32Å; K50-D77 HydrophobicContact CB-CB 3.95Å; S74-D77 WeakPolarHBondContact CB-OD2 3.19Å; S74-D77 WeakPolarHBondContact O-CB 3.11Å; S74-D77 PolarHBondContact O-N 2.95Å; S74-D77 VanDerWaalsContact O-N 3.09Å; S74-D77 PolarHBondContact OG-OD2 3.28Å; P75-D77 VanDerWaalsContact C-N 3.32Å
78E98Very high98.2Very high54 Ų5439.6 Ų39.625%0.25221%0.214SC..EExtended strand (participates in β ladder)trans-143.5149.9176.455.5174.5-141.900112.1R45 L46 F49 W80R45-E78 WeakPolarHBondContact CD-OE2 3.27Å; R45-E78 HydrophobicContact CG-CB 3.94Å; R45-E78 IonicContact CZ-OE2 4Å; R45-E78 IonicContact NE-OE2 2.8Å; R45-E78 IonicContact NH1-OE2 2.68Å; R45-E78 PolarHBondContact NH1-OE2 3.28Å; L46-E78 WeakPolarHBondContact O-CA 3.23Å; F49-E78 CarbonylContact O-C 3.58Å; F49-E78 WeakPolarHBondContact O-CA 3.4Å; F49-E78 PolarHBondContact O-N 3.44Å; F49-E78 VanDerWaalsContact O-N 3.15Å; E78-W80 PolarHBondContact OE1-NE1 2.97Å
79V98.8Very high98.1Very high0 Ų043.2 Ų43.20%024%0.241CC..EExtended strand (participates in β ladder)trans-121.6124.1172.1176.50000108.6F20 Y22 L46 F49 L51 I71F20-V79 HydrophobicContact CE1-CG1 4.33Å; F20-V79 HydrophobicContact CZ-CG1 4.43Å; Y22-V79 HydrophobicContact CG-CG1 4.19Å; L46-V79 HydrophobicContact CB-CB 4.34Å; L46-V79 PolarHBondContact N-O 2.81Å; L46-V79 PolarHBondContact O-N 3.24Å; F49-V79 HydrophobicContact CB-CG2 4.17Å; L51-V79 HydrophobicContact CB-CG2 4.2Å; I71-V79 HydrophobicContact CG2-CB 4.46Å; I71-V79 HydrophobicContact CG2-CG1 4.1Å; I71-V79 HydrophobicContact CG2-CG2 3.88Å
80W98.8Very high98Very high30 Ų3044.6 Ų44.611%0.11425%0.248CC..EExtended strand (participates in β ladder)trans-95143.3172-7385.5000110.4V43 R45 E78 Q115 L152 P153 Y156V43-W80 HydrophobicContact CG1-CE3 3.74Å; V43-W80 HydrophobicContact CG1-CZ3 4.07Å; R45-W80 HydrophobicContact CB-CD2 3.88Å; R45-W80 HydrophobicContact CB-CE3 3.94Å; R45-W80 HydrophobicContact CB-CH2 3.9Å; R45-W80 HydrophobicContact CB-CZ2 3.81Å; R45-W80 HydrophobicContact CB-CZ3 3.95Å; R45-W80 HydrophobicContact CG-CD2 4.25Å; R45-W80 HydrophobicContact CG-CZ2 4.11Å; E78-W80 PolarHBondContact OE1-NE1 2.97Å; W80-Q115 HydrophobicContact CH2-CG 4.47Å; W80-Q115 HydrophobicContact CZ3-CG 4.25Å; W80-L152 HydrophobicContact CB-CD2 4.01Å; W80-L152 HydrophobicContact CB-CG 4.22Å; W80-P153 HydrophobicContact CD2-CG 3.52Å; W80-P153 HydrophobicContact CE3-CG 3.7Å; W80-P153 HydrophobicContact CG-CG 4.12Å; W80-P153 HydrophobicContact CH2-CG 3.85Å; W80-P153 HydrophobicContact CZ2-CG 3.7Å; W80-P153 HydrophobicContact CZ3-CG 3.86Å; W80-Y156 HydrophobicContact CB-CD1 3.71Å; W80-Y156 HydrophobicContact CB-CD2 4.12Å; W80-Y156 HydrophobicContact CB-CE1 3.9Å; W80-Y156 HydrophobicContact CB-CE2 4.31Å; W80-Y156 HydrophobicContact CB-CG 3.81Å; W80-Y156 AromaticContact CD1-CD2 3.53Å; W80-Y156 AromaticContact CD1-CG 3.78Å; W80-Y156 HydrophobicContact CG-CD1 4.46Å; W80-Y156 HydrophobicContact CG-CD2 4.18Å; W80-Y156 HydrophobicContact CG-CG 4.08Å
81G98.8Very high97.8Very high0 Ų046.8 Ų46.80%026%0.26CS..EExtended strand (participates in β ladder)trans-156.9-177.2-178.800000113.9F20 A21 V43 A44F20-G81 VanDerWaalsContact CE2-CA 3.44Å; A21-G81 CarbonylContact O-C 3.18Å; A21-G81 WeakPolarHBondContact O-CA 3.33Å; V43-G81 WeakPolarHBondContact CA-O 3.38Å; A44-G81 PolarHBondContact N-O 2.87Å; A44-G81 PolarHBondContact O-N 3.42Å
82V98.7Very high97.7Very high0 Ų053 Ų530%029%0.293CS..EExtended strand (participates in β ladder)trans-105131176.4177.70000109A21 L26 F40 W84 N150 L152A21-V82 PolarHBondContact N-O 3.38Å; A21-V82 PolarHBondContact O-N 3.43Å; L26-V82 HydrophobicContact CD2-CB 4.2Å; L26-V82 HydrophobicContact CD2-CG2 3.79Å; F40-V82 HydrophobicContact CD2-CG1 3.62Å; F40-V82 HydrophobicContact CE2-CG1 3.81Å; V82-W84 HydrophobicContact CB-CZ2 4.33Å; V82-W84 HydrophobicContact CG1-CD2 3.95Å; V82-W84 VanDerWaalsContact CG1-CE2 3.44Å; V82-W84 HydrophobicContact CG1-CG 4.35Å; V82-W84 HydrophobicContact CG1-CH2 4.25Å; V82-W84 HydrophobicContact CG1-CZ2 3.62Å; V82-N150 HydrophobicContact CG2-CB 3.58Å; V82-L152 HydrophobicContact CG2-CD1 4.03Å
83V98.6Very high97.6Very high0 Ų051.4 Ų51.40%029%0.291CS..EExtended strand (participates in β ladder)trans-89.5123.1167.7-175.40000108.2L18 Y19 F20 F41 C42 A44 V112L18-V83 HydrophobicContact CB-CG1 3.87Å; L18-V83 HydrophobicContact CD1-CG1 4.47Å; L18-V83 HydrophobicContact CD2-CG1 4.1Å; L18-V83 HydrophobicContact CG-CG1 4.36Å; Y19-V83 CarbonylContact O-C 3.59Å; Y19-V83 WeakPolarHBondContact O-CA 3.4Å; F20-V83 HydrophobicContact CD2-CG2 4.08Å; F41-V83 WeakPolarHBondContact CA-O 3.24Å; F41-V83 HydrophobicContact CB-CB 4.21Å; F41-V83 HydrophobicContact CB-CG1 4Å; F41-V83 WeakPolarHBondContact CB-O 3.44Å; F41-V83 HydrophobicContact CD1-CB 4.28Å; F41-V83 HydrophobicContact CD1-CG1 3.92Å; F41-V83 HydrophobicContact CG-CG1 4.26Å; F41-V83 PolarHBondContact N-O 3.3Å; C42-V83 PolarHBondContact N-O 2.84Å; C42-V83 WeakPolarHBondContact O-CB 3.29Å; C42-V83 PolarHBondContact O-N 3.16Å; A44-V83 HydrophobicContact CB-CG2 3.7Å; V83-V112 HydrophobicContact CG2-CG2 4.1Å
84W98.5Very high97.5Very high1 Ų143.9 Ų43.90%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-104.6133.5172.8-60.5100.6000109.9L18 Y19 N25 T28 I31 A38 A39 F40 V82 M86L18-W84 CarbonylContact C-O 3.56Å; L18-W84 WeakPolarHBondContact CA-O 3.34Å; Y19-W84 HydrophobicContact CD1-CB 4.27Å; Y19-W84 AromaticContact CD1-CD1 3.86Å; Y19-W84 HydrophobicContact CD1-CG 4.39Å; Y19-W84 PolarHBondContact N-O 2.86Å; Y19-W84 PolarHBondContact O-N 2.92Å; N25-W84 WeakPolarHBondContact O-CZ2 3.42Å; N25-W84 PolarHBondContact O-NE1 3.1Å; T28-W84 HydrophobicContact CG2-CH2 4.22Å; T28-W84 WeakPolarHBondContact OG1-CH2 3.25Å; I31-W84 HydrophobicContact CD1-CB 4.33Å; I31-W84 HydrophobicContact CD1-CD2 3.84Å; I31-W84 HydrophobicContact CD1-CG 3.66Å; I31-W84 HydrophobicContact CG2-CD2 4.35Å; I31-W84 HydrophobicContact CG2-CE3 4.46Å; I31-W84 HydrophobicContact CG2-CH2 3.94Å; I31-W84 HydrophobicContact CG2-CZ2 3.76Å; I31-W84 HydrophobicContact CG2-CZ3 4.27Å; A38-W84 HydrophobicContact CB-CE3 4.21Å; A39-W84 CarbonylContact O-C 3.53Å; A39-W84 WeakPolarHBondContact O-CA 3.49Å; F40-W84 HydrophobicContact CB-CE3 4.32Å; F40-W84 HydrophobicContact CB-CH2 4.48Å; F40-W84 HydrophobicContact CB-CZ3 3.83Å; V82-W84 HydrophobicContact CB-CZ2 4.33Å; V82-W84 HydrophobicContact CG1-CD2 3.95Å; V82-W84 VanDerWaalsContact CG1-CE2 3.44Å; V82-W84 HydrophobicContact CG1-CG 4.35Å; V82-W84 HydrophobicContact CG1-CH2 4.25Å; V82-W84 HydrophobicContact CG1-CZ2 3.62Å; W84-M86 HydrophobicContact CB-CG 4.25Å; W84-M86 HydrophobicContact CB-SD 4.43Å
85K97.9Very high97.5Very high78 Ų7844.1 Ų44.134%0.33926%0.255SS..EExtended strand (participates in β ladder)trans-89.1124.9167-173.1177.6-176.5-178.40109D13 S16 L18 A39 F41D13-K85 WeakPolarHBondContact OD2-CE 3.26Å; D13-K85 IonicContact OD2-NZ 2.71Å; D13-K85 PolarHBondContact OD2-NZ 2.8Å; S16-K85 WeakPolarHBondContact OG-CE 3.37Å; L18-K85 HydrophobicContact CD2-CB 3.92Å; L18-K85 HydrophobicContact CD2-CG 4.11Å; A39-K85 PolarHBondContact N-O 3.44Å; A39-K85 PolarHBondContact O-N 3.06Å; F41-K85 HydrophobicContact CB-CB 4.36Å; F41-K85 HydrophobicContact CD2-CB 4.25Å
86M97.6Very high97.4Very high3 Ų344.5 Ų44.52%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-134.9150.2-175.1-62.5-179.265.800110.7S16 F17 Y19 N35 A38 W84 N90 L94S16-M86 CarbonylContact C-O 3.53Å; S16-M86 WeakPolarHBondContact CA-O 3.22Å; S16-M86 VanDerWaalsContact CB-O 3.22Å; S16-M86 WeakPolarHBondContact CB-O 3.16Å; F17-M86 HydrophobicContact CD1-CB 4.17Å; F17-M86 WeakPolarHBondContact CD1-O 2.98Å; F17-M86 HydrophobicContact CE1-CB 3.6Å; F17-M86 HydrophobicContact CE2-CB 4.36Å; F17-M86 HydrophobicContact CE2-SD 4.48Å; F17-M86 HydrophobicContact CZ-CB 3.71Å; F17-M86 HydrophobicContact CZ-CE 4.38Å; F17-M86 HydrophobicContact CZ-CG 4.45Å; F17-M86 HydrophobicContact CZ-SD 4.1Å; F17-M86 PolarHBondContact N-O 3.22Å; F17-M86 PolarHBondContact O-N 2.83Å; Y19-M86 HydrophobicContact CD1-SD 3.87Å; Y19-M86 HydrophobicContact CG-SD 4.36Å; N35-M86 HydrophobicContact CB-CE 3.75Å; N35-M86 WeakPolarHBondContact OD1-CE 3.34Å; A38-M86 HydrophobicContact CB-CG 4.04Å; A38-M86 HydrophobicContact CB-SD 4.33Å; W84-M86 HydrophobicContact CB-CG 4.25Å; W84-M86 HydrophobicContact CB-SD 4.43Å; M86-N90 HydrophobicContact CE-CB 4.03Å; M86-L94 HydrophobicContact CE-CD1 4.44Å; M86-L94 HydrophobicContact CE-CD2 4.21Å; M86-L94 HydrophobicContact SD-CD2 4.02Å
87N96.4Very high97.2Very high62 Ų6243.2 Ų43.233%0.33222%0.224SC..EExtended strand (participates in β ladder)trans-75.3142.3175.5-173.3-79.1000110E15 F17 S89 N90E15-N87 CarbonylContact O-C 3.56Å; E15-N87 WeakPolarHBondContact O-CA 3.37Å; E15-N87 PolarHBondContact O-ND2 3.01Å; F17-N87 WeakPolarHBondContact CE1-O 3.35Å; N87-S89 PolarHBondContact O-N 3.4Å; N87-S89 VanDerWaalsContact O-N 3.11Å; N87-S89 VanDerWaalsContact OD1-CB 3.26Å; N87-S89 WeakPolarHBondContact OD1-CB 3.49Å; N87-S89 PolarHBondContact OD1-N 2.61Å; N87-S89 PolarHBondContact OD1-OG 3.28Å; N87-N90 WeakPolarHBondContact O-CB 3.45Å; N87-N90 PolarHBondContact O-N 3.28Å
88K96.1Very high97.1Very high95 Ų9541.9 Ų41.941%0.41322%0.216SC..G310 helixtrans-58.8-24.6-179.9-72.1-179.9-175.9171.90113.6E14 E15 S16 F17 N90 L91E14-K88 VanDerWaalsContact O-CD 3.32Å; E14-K88 WeakPolarHBondContact O-CD 3.48Å; E14-K88 WeakPolarHBondContact O-CE 3.32Å; E14-K88 PolarHBondContact O-NZ 2.84Å; E15-K88 PolarHBondContact O-N 2.76Å; S16-K88 VanDerWaalsContact O-CE 3.23Å; S16-K88 WeakPolarHBondContact O-CE 3.28Å; F17-K88 HydrophobicContact CD1-CG 4.25Å; K88-N90 PolarHBondContact O-N 3.32Å; K88-N90 VanDerWaalsContact O-N 3.17Å; K88-L91 HydrophobicContact CB-CD1 4.12Å; K88-L91 HydrophobicContact CG-CD1 4.32Å; K88-L91 WeakPolarHBondContact O-CB 3.29Å; K88-L91 WeakPolarHBondContact O-CD1 3.46Å; K88-L91 WeakPolarHBondContact O-CG 3.45Å; K88-L91 PolarHBondContact O-N 3.05Å; K88-L91 VanDerWaalsContact O-N 3.09Å
89S95.5Very high97Very high88 Ų8839.9 Ų39.962%0.61521%0.209SC*.G310 helixtrans-59.6-21.5170.761.10000113.4N87N87-S89 PolarHBondContact O-N 3.4Å; N87-S89 VanDerWaalsContact O-N 3.11Å; N87-S89 VanDerWaalsContact OD1-CB 3.26Å; N87-S89 WeakPolarHBondContact OD1-CB 3.49Å; N87-S89 PolarHBondContact OD1-N 2.61Å; N87-S89 PolarHBondContact OD1-OG 3.28Å
90N96.6Very high96.9Very high31 Ų3141.7 Ų41.717%0.16622%0.22CC..G310 helixtrans-88.20176.6-56.7128.2000114.4S37 M86 N87 K88 N92 S93 L94S37-N90 PolarHBondContact OG-OD1 3.23Å; M86-N90 HydrophobicContact CE-CB 4.03Å; N87-N90 WeakPolarHBondContact O-CB 3.45Å; N87-N90 PolarHBondContact O-N 3.28Å; K88-N90 PolarHBondContact O-N 3.32Å; K88-N90 VanDerWaalsContact O-N 3.17Å; N90-N92 VanDerWaalsContact C-N 3.35Å; N90-N92 PolarHBondContact O-N 3.03Å; N90-S93 WeakPolarHBondContact CA-OG 3.18Å; N90-S93 PolarHBondContact O-N 3.31Å; N90-S93 PolarHBondContact O-OG 3.22Å; N90-L94 WeakPolarHBondContact O-CB 3.33Å; N90-L94 PolarHBondContact O-N 2.74Å
91L96.1Very high96.8Very high46 Ų4649.7 Ų49.724%0.24126%0.256CS..Hα-helixtrans-57.1-47.6178.6-77.4167.2000111.8F17 K88 S93 L94 D95F17-L91 HydrophobicContact CD1-CD2 3.86Å; F17-L91 HydrophobicContact CD1-CG 4.02Å; F17-L91 HydrophobicContact CD2-CD2 4.04Å; F17-L91 HydrophobicContact CE1-CD2 3.67Å; F17-L91 HydrophobicContact CE1-CG 3.77Å; F17-L91 HydrophobicContact CE2-CD2 3.86Å; F17-L91 HydrophobicContact CG-CD2 4.04Å; F17-L91 HydrophobicContact CZ-CD2 3.67Å; F17-L91 HydrophobicContact CZ-CG 4.2Å; K88-L91 HydrophobicContact CB-CD1 4.12Å; K88-L91 HydrophobicContact CG-CD1 4.32Å; K88-L91 WeakPolarHBondContact O-CB 3.29Å; K88-L91 WeakPolarHBondContact O-CD1 3.46Å; K88-L91 WeakPolarHBondContact O-CG 3.45Å; K88-L91 PolarHBondContact O-N 3.05Å; K88-L91 VanDerWaalsContact O-N 3.09Å; L91-S93 PolarHBondContact O-N 2.8Å; L91-L94 PolarHBondContact O-N 3.18Å; L91-D95 WeakPolarHBondContact O-CB 3.33Å; L91-D95 VanDerWaalsContact O-CG 3.29Å; L91-D95 PolarHBondContact O-N 3.22Å
92N95.4Very high96.6Very high131 Ų13153.3 Ų53.370%0.70128%0.281SS*.Hα-helixtrans-66.6-39.5-178.1-70.7-25.6000112.5N90 E96N90-N92 VanDerWaalsContact C-N 3.35Å; N90-N92 PolarHBondContact O-N 3.03Å; N92-E96 WeakPolarHBondContact O-CB 3.48Å; N92-E96 PolarHBondContact O-N 3.47Å
93S95.7Very high96.4Very high42 Ų4255 Ų5529%0.29430%0.299SS..Hα-helixtrans-70.7-35.417955.40000111.9N90 L91 Q97N90-S93 WeakPolarHBondContact CA-OG 3.18Å; N90-S93 PolarHBondContact O-N 3.31Å; N90-S93 PolarHBondContact O-OG 3.22Å; L91-S93 PolarHBondContact O-N 2.8Å; S93-Q97 WeakPolarHBondContact O-CB 3.32Å; S93-Q97 PolarHBondContact O-N 3.3Å
94L97Very high96.3Very high0 Ų058 Ų580%031%0.313CS..Hα-helixtrans-68.2-44.8174.4-172.563.2000111F17 Y19 M86 N90 L91 E96 Q97 E98 Y125F17-L94 HydrophobicContact CE2-CD2 3.97Å; F17-L94 HydrophobicContact CZ-CD2 3.92Å; Y19-L94 HydrophobicContact CD1-CD1 4.43Å; Y19-L94 HydrophobicContact CD1-CD2 3.98Å; Y19-L94 HydrophobicContact CD2-CD2 4.22Å; Y19-L94 HydrophobicContact CE1-CD1 4.11Å; Y19-L94 HydrophobicContact CE1-CD2 4.34Å; Y19-L94 HydrophobicContact CG-CD2 3.92Å; M86-L94 HydrophobicContact CE-CD1 4.44Å; M86-L94 HydrophobicContact CE-CD2 4.21Å; M86-L94 HydrophobicContact SD-CD2 4.02Å; N90-L94 WeakPolarHBondContact O-CB 3.33Å; N90-L94 PolarHBondContact O-N 2.74Å; L91-L94 PolarHBondContact O-N 3.18Å; L94-E96 VanDerWaalsContact C-N 3.27Å; L94-E96 PolarHBondContact O-N 3.26Å; L94-Q97 WeakPolarHBondContact O-CB 3.18Å; L94-Q97 PolarHBondContact O-N 3.2Å; L94-Q97 VanDerWaalsContact O-N 3.12Å; L94-E98 HydrophobicContact CD1-CG 4.43Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.99Å; L94-Y125 HydrophobicContact CD2-CE2 3.94Å; L94-Y125 WeakPolarHBondContact CD2-OH 3.21Å; L94-Y125 HydrophobicContact CG-CE2 4.05Å; L94-Y125 VanDerWaalsContact CG-OH 3.32Å; L94-Y125 WeakPolarHBondContact CG-OH 3.44Å
95D97.6Very high96.3Very high29 Ų2958.5 Ų58.516%0.15532%0.315CS..Hα-helixtrans-62.3-34.9176.4-74.5-2.7000112.9L91 G99 V100 R123 Y125L91-D95 WeakPolarHBondContact O-CB 3.33Å; L91-D95 VanDerWaalsContact O-CG 3.29Å; L91-D95 PolarHBondContact O-N 3.22Å; D95-G99 PolarHBondContact O-N 3.38Å; D95-V100 HydrophobicContact CB-CB 4.07Å; D95-V100 HydrophobicContact CB-CG2 3.88Å; D95-V100 WeakPolarHBondContact O-CB 3.49Å; D95-V100 WeakPolarHBondContact O-CG2 3.14Å; D95-V100 PolarHBondContact O-N 2.95Å; D95-R123 IonicContact OD1-CZ 2.69Å; D95-R123 IonicContact OD1-NE 2.74Å; D95-R123 PolarHBondContact OD1-NE 2.87Å; D95-R123 IonicContact OD1-NH2 2.7Å; D95-R123 PolarHBondContact OD1-NH2 2.93Å; D95-R123 IonicContact OD2-CZ 3.8Å; D95-R123 IonicContact OD2-NH2 2.91Å; D95-R123 PolarHBondContact OD2-NH2 3.06Å; D95-Y125 VanDerWaalsContact OD1-CE1 3.3Å; D95-Y125 WeakPolarHBondContact OD1-CE1 3.33Å; D95-Y125 PolarHBondContact OD1-OH 3.45Å
96E96.2Very high96.3Very high126 Ų12657.1 Ų57.159%0.58931%0.314SS*.Hα-helixtrans-66.7-44.9172.3-177176.3-170.200111.6N92 L94 E98 G99N92-E96 WeakPolarHBondContact O-CB 3.48Å; N92-E96 PolarHBondContact O-N 3.47Å; L94-E96 VanDerWaalsContact C-N 3.27Å; L94-E96 PolarHBondContact O-N 3.26Å; E96-E98 VanDerWaalsContact C-N 3.32Å; E96-E98 PolarHBondContact O-N 3.1Å; E96-G99 PolarHBondContact O-N 2.92Å; E96-G99 VanDerWaalsContact O-N 3.09Å
97Q94.5Very high96.3Very high38 Ų3859.6 Ų59.618%0.17833%0.329CS..Hα-helixtrans-58.7-43.7176.4173.7-179.1-33.700112N25 N35 S93 L94 G99N25-Q97 PolarHBondContact ND2-NE2 3.4Å; N25-Q97 PolarHBondContact OD1-NE2 3.24Å; N25-Q97 VanDerWaalsContact OD1-NE2 3.16Å; N35-Q97 PolarHBondContact ND2-OE1 2.63Å; S93-Q97 WeakPolarHBondContact O-CB 3.32Å; S93-Q97 PolarHBondContact O-N 3.3Å; L94-Q97 WeakPolarHBondContact O-CB 3.18Å; L94-Q97 PolarHBondContact O-N 3.2Å; L94-Q97 VanDerWaalsContact O-N 3.12Å; Q97-G99 PolarHBondContact O-N 2.72Å
98E96.1Very high96.4Very high26 Ų2658.3 Ų58.312%0.12132%0.322CS..THydrogen-bonded Turntrans-83.19.4179.5-55.2-54.5144.500112.3N25 L94 E96 V100 Y105 Y125N25-E98 PolarHBondContact ND2-OE1 2.82Å; L94-E98 HydrophobicContact CD1-CG 4.43Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.99Å; E96-E98 VanDerWaalsContact C-N 3.32Å; E96-E98 PolarHBondContact O-N 3.1Å; E98-V100 VanDerWaalsContact C-N 3.3Å; E98-V100 PolarHBondContact O-N 3.34Å; E98-Y105 HydrophobicContact CB-CD2 4.45Å; E98-Y105 WeakPolarHBondContact O-CB 3.29Å; E98-Y105 WeakPolarHBondContact O-CD2 3.2Å; E98-Y125 HydrophobicContact CB-CD1 3.92Å; E98-Y125 HydrophobicContact CB-CD2 4.47Å; E98-Y125 HydrophobicContact CB-CE1 4.04Å; E98-Y125 HydrophobicContact CB-CG 4.15Å; E98-Y125 HydrophobicContact CG-CD1 4.22Å; E98-Y125 HydrophobicContact CG-CD2 3.89Å; E98-Y125 HydrophobicContact CG-CE1 4.19Å; E98-Y125 HydrophobicContact CG-CE2 3.91Å; E98-Y125 HydrophobicContact CG-CG 4.07Å
99G95.7Very high96.5Very high11 Ų1161 Ų6111%0.11334%0.335CS..THydrogen-bonded Turntrans62.532.3172.900000114.3D95 E96 Q97 K101 S102 G103 M104D95-G99 PolarHBondContact O-N 3.38Å; E96-G99 PolarHBondContact O-N 2.92Å; E96-G99 VanDerWaalsContact O-N 3.09Å; Q97-G99 PolarHBondContact O-N 2.72Å; G99-K101 VanDerWaalsContact C-N 3.32Å; G99-K101 PolarHBondContact O-N 2.78Å; G99-S102 PolarHBondContact O-N 2.96Å; G99-S102 PolarHBondContact O-OG 3.16Å; G99-G103 PolarHBondContact O-N 3.46Å; G99-M104 WeakPolarHBondContact O-CB 3.39Å; G99-M104 PolarHBondContact O-N 2.78Å
100V96.9Very high96.7Very high39 Ų3957.1 Ų57.124%0.23631%0.308CS..G310 helixtrans-60.8-43.2-178.7175.20000111.1D95 E98 S102 G103 Y105 V107 Y125D95-V100 HydrophobicContact CB-CB 4.07Å; D95-V100 HydrophobicContact CB-CG2 3.88Å; D95-V100 WeakPolarHBondContact O-CB 3.49Å; D95-V100 WeakPolarHBondContact O-CG2 3.14Å; D95-V100 PolarHBondContact O-N 2.95Å; E98-V100 VanDerWaalsContact C-N 3.3Å; E98-V100 PolarHBondContact O-N 3.34Å; V100-S102 VanDerWaalsContact C-N 3.26Å; V100-S102 PolarHBondContact O-N 2.99Å; V100-G103 PolarHBondContact O-N 3.34Å; V100-Y105 WeakPolarHBondContact CA-O 3.46Å; V100-V107 HydrophobicContact CG1-CG2 4.12Å; V100-V107 HydrophobicContact CG2-CG2 3.95Å; V100-Y125 HydrophobicContact CG2-CD1 3.96Å; V100-Y125 HydrophobicContact CG2-CE1 3.7Å
101K95.9Very high96.8Very high198 Ų19861.4 Ų61.486%0.86133%0.325SS*.G310 helixtrans-64.8-27.6179.5-69.4-176.8-179.1173.10113.6G99 G103G99-K101 VanDerWaalsContact C-N 3.32Å; G99-K101 PolarHBondContact O-N 2.78Å; K101-G103 VanDerWaalsContact C-N 3.33Å
102S94.8Very high96.9Very high75 Ų7559.3 Ų59.352%0.52431%0.314SS..G310 helixtrans-89.5-0.4176.557.70000113.1Q57 G99 V100 M104Q57-S102 PolarHBondContact NE2-O 3.11Å; Q57-S102 VanDerWaalsContact NE2-O 3.14Å; G99-S102 PolarHBondContact O-N 2.96Å; G99-S102 PolarHBondContact O-OG 3.16Å; V100-S102 VanDerWaalsContact C-N 3.26Å; V100-S102 PolarHBondContact O-N 2.99Å; S102-M104 VanDerWaalsContact C-N 3.31Å
103G95.4Very high97Very high37 Ų3754.5 Ų54.538%0.38129%0.293SS..THydrogen-bonded Turntrans70.625.8-177.100000113.3Q57 G99 V100 K101Q57-G103 PolarHBondContact NE2-O 2.85Å; G99-G103 PolarHBondContact O-N 3.46Å; V100-G103 PolarHBondContact O-N 3.34Å; K101-G103 VanDerWaalsContact C-N 3.33Å
104M96.4Very high97Very high62 Ų6252.8 Ų52.831%0.30528%0.281SS..SBendtrans-70.6-53173.3-175.2-176.4-68.900110.3S56 I68 G99 S102 M127S56-M104 WeakPolarHBondContact OG-CA 3.42Å; I68-M104 HydrophobicContact CD1-CG 4.39Å; I68-M104 HydrophobicContact CD1-SD 3.71Å; G99-M104 WeakPolarHBondContact O-CB 3.39Å; G99-M104 PolarHBondContact O-N 2.78Å; S102-M104 VanDerWaalsContact C-N 3.31Å; M104-M127 WeakPolarHBondContact O-CG 3.36Å
105Y98.2Very high96.6Very high11 Ų1158.2 Ų58.24%0.04331%0.306CS..  trans-119.5154.5172-73.3-95000111I68 A69 E98 V100 L126 M127I68-Y105 HydrophobicContact CD1-CE2 3.87Å; A69-Y105 WeakPolarHBondContact O-CE1 3.45Å; A69-Y105 VanDerWaalsContact O-CZ 3.26Å; A69-Y105 PolarHBondContact O-OH 2.97Å; E98-Y105 HydrophobicContact CB-CD2 4.45Å; E98-Y105 WeakPolarHBondContact O-CB 3.29Å; E98-Y105 WeakPolarHBondContact O-CD2 3.2Å; V100-Y105 WeakPolarHBondContact CA-O 3.46Å; Y105-L126 CarbonylContact C-O 3.51Å; Y105-L126 WeakPolarHBondContact CA-O 3.46Å; Y105-L126 VanDerWaalsContact CD1-C 3.41Å; Y105-M127 HydrophobicContact CD1-CG 4.1Å; Y105-M127 HydrophobicContact CE1-CE 4.17Å; Y105-M127 HydrophobicContact CE1-CG 3.9Å; Y105-M127 HydrophobicContact CE2-CE 3.79Å; Y105-M127 WeakPolarHBondContact OH-CE 2.94Å
106V98.2Very high96.2Very high50 Ų5061.6 Ų61.630%0.30332%0.321SS..EExtended strand (participates in β ladder)trans-104.3149.6162-56.70000109.5I108 Y125 L126 T128V106-I108 HydrophobicContact CG2-CG2 4.2Å; V106-Y125 VanDerWaalsContact O-CA 3.28Å; V106-Y125 WeakPolarHBondContact O-CA 3.4Å; V106-L126 HydrophobicContact CG2-CD1 3.6Å; V106-L126 HydrophobicContact CG2-CG 4.08Å; V106-L126 PolarHBondContact N-O 3.44Å; V106-L126 PolarHBondContact O-N 3.34Å; V106-L126 VanDerWaalsContact O-N 3.1Å; V106-T128 HydrophobicContact CB-CG2 4.46Å; V106-T128 HydrophobicContact CG1-CG2 3.91Å; V106-T128 HydrophobicContact CG2-CG2 3.68Å
107V98.4Very high96Very high55 Ų5558.5 Ų58.533%0.33332%0.323SS..EExtended strand (participates in β ladder)trans-77.9134.2174.81760000109.2V100 R123 Y125V100-V107 HydrophobicContact CG1-CG2 4.12Å; V100-V107 HydrophobicContact CG2-CG2 3.95Å; V107-R123 HydrophobicContact CG1-CG 4.28Å; V107-R123 VanDerWaalsContact CG1-NH2 3.34Å; V107-Y125 HydrophobicContact CG2-CD1 4.21Å; V107-Y125 HydrophobicContact CG2-CE1 3.79Å
108I98.4Very high96Very high35 Ų3561.4 Ų61.418%0.17934%0.335CS..EExtended strand (participates in β ladder)trans-131.8159.4173.363.2176.2000110.8I71 V106 V110 S124 L126I71-I108 HydrophobicContact CD1-CD1 4.1Å; V106-I108 HydrophobicContact CG2-CG2 4.2Å; I108-V110 HydrophobicContact CD1-CG1 3.58Å; I108-V110 HydrophobicContact CG1-CG1 4.01Å; I108-S124 PolarHBondContact N-O 3.29Å; I108-S124 PolarHBondContact O-N 3.05Å; I108-L126 HydrophobicContact CD1-CB 4.28Å; I108-L126 HydrophobicContact CD1-CD2 3.69Å; I108-L126 HydrophobicContact CD1-CG 4Å; I108-L126 HydrophobicContact CG2-CD2 4.01Å; I108-L126 HydrophobicContact CG2-CG 3.92Å
109E98.5Very high96.1Very high150 Ų15066.1 Ų66.170%0.70136%0.357SS*.EExtended strand (participates in β ladder)trans-104.9133.8164.5-175.1175.594.600108.7T121 C122E109-T121 HydrophobicContact CG-CG2 3.36Å; E109-C122 WeakPolarHBondContact CA-O 3.47Å
110V98.4Very high96.1Very high7 Ų766.4 Ų66.44%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-130.2147.3179.8-65.50000110.7F20 L46 I108 V112 T121 C122F20-V110 HydrophobicContact CB-CG2 4.22Å; F20-V110 HydrophobicContact CD1-CG2 4.38Å; L46-V110 HydrophobicContact CD1-CB 3.84Å; L46-V110 HydrophobicContact CD1-CG1 4.2Å; L46-V110 HydrophobicContact CD2-CB 4.45Å; L46-V110 HydrophobicContact CD2-CG1 4.17Å; I108-V110 HydrophobicContact CD1-CG1 3.58Å; I108-V110 HydrophobicContact CG1-CG1 4.01Å; V110-V112 HydrophobicContact CG2-CG1 4.05Å; V110-T121 WeakPolarHBondContact O-CA 3.33Å; V110-C122 HydrophobicContact CG2-CB 4.14Å; V110-C122 PolarHBondContact N-O 2.91Å; V110-C122 PolarHBondContact O-N 3.43Å
111K98.3Very high96.2Very high122 Ų12267.5 Ų67.553%0.5336%0.363SS..EExtended strand (participates in β ladder)trans-100.4119170.7-72.4170.4165.1-131.80108.7L46 E119 I120L46-K111 WeakPolarHBondContact CD1-O 3.46Å; K111-E119 HydrophobicContact CB-CG 4Å; K111-E119 VanDerWaalsContact CD-OE1 3.32Å; K111-E119 WeakPolarHBondContact CD-OE1 3.28Å; K111-E119 WeakPolarHBondContact CE-OE1 3.46Å; K111-E119 HydrophobicContact CG-CG 4.31Å; K111-E119 IonicContact NZ-OE1 3.77Å; K111-E119 PolarHBondContact NZ-OE1 3.34Å; K111-I120 WeakPolarHBondContact CA-O 3.43Å
112V98.6Very high96.3Very high1 Ų158.2 Ų58.21%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-116.4145.7-179.8-600000110.3F20 A44 R45 L46 V83 V110 E119 I120F20-V112 HydrophobicContact CB-CG1 4.48Å; F20-V112 HydrophobicContact CD1-CG1 4.21Å; F20-V112 HydrophobicContact CD2-CB 4.49Å; F20-V112 HydrophobicContact CD2-CG1 3.85Å; F20-V112 HydrophobicContact CD2-CG2 4.42Å; F20-V112 HydrophobicContact CE1-CG1 4.4Å; F20-V112 HydrophobicContact CE2-CG1 4.05Å; F20-V112 HydrophobicContact CG-CG1 3.92Å; F20-V112 HydrophobicContact CZ-CG1 4.32Å; A44-V112 HydrophobicContact CB-CB 3.8Å; A44-V112 HydrophobicContact CB-CG2 3.53Å; R45-V112 CarbonylContact O-C 3.35Å; R45-V112 VanDerWaalsContact O-CA 3.25Å; R45-V112 WeakPolarHBondContact O-CA 3.44Å; R45-V112 WeakPolarHBondContact O-CB 3.47Å; L46-V112 HydrophobicContact CB-CG1 3.98Å; L46-V112 HydrophobicContact CD1-CG1 4.12Å; V83-V112 HydrophobicContact CG2-CG2 4.1Å; V110-V112 HydrophobicContact CG2-CG1 4.05Å; V112-E119 CarbonylContact O-C 3.28Å; V112-E119 WeakPolarHBondContact O-CA 3.47Å; V112-I120 HydrophobicContact CG2-CB 4.08Å; V112-I120 PolarHBondContact N-O 3.25Å; V112-I120 PolarHBondContact O-N 2.96Å
113A98.2Very high96.5Very high30 Ų3057.3 Ų57.325%0.24831%0.308CS..EExtended strand (participates in β ladder)trans-98.6130.8177.100000110.5A44 R45 K118A44-A113 CarbonylContact C-O 3.59Å; A44-A113 WeakPolarHBondContact CA-O 3.37Å; R45-A113 PolarHBondContact N-O 3.41Å; R45-A113 PolarHBondContact O-N 3.5Å; A113-K118 CarbonylContact C-O 3.55Å; A113-K118 WeakPolarHBondContact CA-O 3.38Å
114T94.9Very high96.6Very high7 Ų755.5 Ų55.54%0.04329%0.289CS..EExtended strand (participates in β ladder)trans-73.6171.1170.4760000110.9C6 E116 G117 K118 I120C6-T114 WeakPolarHBondContact SG-CG2 3.32Å; T114-E116 WeakPolarHBondContact CB-OE2 3.29Å; T114-E116 PolarHBondContact O-N 3.32Å; T114-E116 PolarHBondContact OG1-N 2.75Å; T114-E116 PolarHBondContact OG1-OE2 3.48Å; T114-G117 PolarHBondContact O-N 3.44Å; T114-K118 HydrophobicContact CG2-CB 4.14Å; T114-K118 PolarHBondContact N-O 2.98Å; T114-K118 PolarHBondContact OG1-N 3Å; T114-I120 HydrophobicContact CG2-CD1 3.25Å; T114-I120 HydrophobicContact CG2-CG1 3.85Å
115Q88.8Confident96.7Very high113 Ų11352.7 Ų52.753%0.52828%0.275SS..THydrogen-bonded Turntrans-62.4-27.1174.4-67.9-175.7-9.700112.6W80 G117W80-Q115 HydrophobicContact CH2-CG 4.47Å; W80-Q115 HydrophobicContact CZ3-CG 4.25Å; Q115-G117 PolarHBondContact O-N 2.97Å
116E90.4Very high96.8Very high100 Ų10053.5 Ų53.547%0.46728%0.28SS..THydrogen-bonded Turntrans-822.4174.5-49.480.9-177.600113.2T114 K118T114-E116 WeakPolarHBondContact CB-OE2 3.29Å; T114-E116 PolarHBondContact O-N 3.32Å; T114-E116 PolarHBondContact OG1-N 2.75Å; T114-E116 PolarHBondContact OG1-OE2 3.48Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.33Å
117G90.9Very high96.8Very high62 Ų6251.4 Ų51.464%0.63927%0.267SS*.  trans77.411.9-179.500000114.7T114 Q115T114-G117 PolarHBondContact O-N 3.44Å; Q115-G117 PolarHBondContact O-N 2.97Å
118K95Very high96.7Very high99 Ų9953.9 Ų53.943%0.4328%0.282SS..  trans-74.4134.2173.4-66-178.6179.6172.70109.5D8 A113 T114 E116D8-K118 IonicContact OD1-NZ 3.43Å; D8-K118 PolarHBondContact OD1-NZ 2.69Å; A113-K118 CarbonylContact C-O 3.55Å; A113-K118 WeakPolarHBondContact CA-O 3.38Å; T114-K118 HydrophobicContact CG2-CB 4.14Å; T114-K118 PolarHBondContact N-O 2.98Å; T114-K118 PolarHBondContact OG1-N 3Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.33Å
119E97.5Very high96.6Very high124 Ų12457.2 Ų57.258%0.57930%0.301SS*.EExtended strand (participates in β ladder)trans-84.7132.5172.1-173.6177.197.700110.1K111 V112K111-E119 HydrophobicContact CB-CG 4Å; K111-E119 VanDerWaalsContact CD-OE1 3.32Å; K111-E119 WeakPolarHBondContact CD-OE1 3.28Å; K111-E119 WeakPolarHBondContact CE-OE1 3.46Å; K111-E119 HydrophobicContact CG-CG 4.31Å; K111-E119 IonicContact NZ-OE1 3.77Å; K111-E119 PolarHBondContact NZ-OE1 3.34Å; V112-E119 CarbonylContact O-C 3.28Å; V112-E119 WeakPolarHBondContact O-CA 3.47Å
120I96.8Very high96.6Very high17 Ų1752.6 Ų52.69%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-125.9132.6178.3-58.6179.1000108.4L18 F41 K111 V112 T114L18-I120 HydrophobicContact CD1-CG2 3.24Å; L18-I120 HydrophobicContact CG-CG2 4.49Å; F41-I120 HydrophobicContact CD1-CD1 4.23Å; F41-I120 HydrophobicContact CE1-CD1 3.65Å; K111-I120 WeakPolarHBondContact CA-O 3.43Å; V112-I120 HydrophobicContact CG2-CB 4.08Å; V112-I120 PolarHBondContact N-O 3.25Å; V112-I120 PolarHBondContact O-N 2.96Å; T114-I120 HydrophobicContact CG2-CD1 3.25Å; T114-I120 HydrophobicContact CG2-CG1 3.85Å
121T97.9Very high96.5Very high63 Ų6358.1 Ų58.139%0.38730%0.303SS..EExtended strand (participates in β ladder)trans-89124.4171.5-57.50000109.7E109 V110E109-T121 HydrophobicContact CG-CG2 3.36Å; V110-T121 WeakPolarHBondContact O-CA 3.33Å
122C98.4Very high96.5Very high2 Ų256.3 Ų56.31%0.01431%0.305CS..EExtended strand (participates in β ladder)trans-128.5145.1-176.3-66.30000110.6L18 F20 E109 V110L18-C122 HydrophobicContact CB-CB 4.49Å; L18-C122 CarbonylContact O-C 3.58Å; L18-C122 WeakPolarHBondContact O-CA 3.11Å; F20-C122 HydrophobicContact CB-CB 3.7Å; E109-C122 WeakPolarHBondContact CA-O 3.47Å; V110-C122 HydrophobicContact CG2-CB 4.14Å; V110-C122 PolarHBondContact N-O 2.91Å; V110-C122 PolarHBondContact O-N 3.43Å
123R98.5Very high96.5Very high56 Ų5657.1 Ų57.121%0.21131%0.312CS..EExtended strand (participates in β ladder)trans-66.1141.6157.3-174.1-177.9-167.682.9-6.9108.9F17 L18 Y19 F20 D95 V107 Y125F17-R123 HydrophobicContact CD2-CB 4.06Å; F17-R123 HydrophobicContact CE2-CB 4.35Å; L18-R123 PolarHBondContact O-N 3.28Å; Y19-R123 CarbonylContact C-O 3.48Å; Y19-R123 WeakPolarHBondContact CA-O 3.37Å; F20-R123 PolarHBondContact N-O 2.84Å; D95-R123 IonicContact OD1-CZ 2.69Å; D95-R123 IonicContact OD1-NE 2.74Å; D95-R123 PolarHBondContact OD1-NE 2.87Å; D95-R123 IonicContact OD1-NH2 2.7Å; D95-R123 PolarHBondContact OD1-NH2 2.93Å; D95-R123 IonicContact OD2-CZ 3.8Å; D95-R123 IonicContact OD2-NH2 2.91Å; D95-R123 PolarHBondContact OD2-NH2 3.06Å; V107-R123 HydrophobicContact CG1-CG 4.28Å; V107-R123 VanDerWaalsContact CG1-NH2 3.34Å; R123-Y125 PolarHBondContact NE-OH 2.95Å
124S98.7Very high96.6Very high0 Ų059 Ų590%032%0.321CS..EExtended strand (participates in β ladder)trans-149.2-171.7166.2-159.40000109.7F20 I108F20-S124 PolarHBondContact O-OG 3.36Å; I108-S124 PolarHBondContact N-O 3.29Å; I108-S124 PolarHBondContact O-N 3.05Å
125Y98.8Very high96.7Very high3 Ų358.7 Ų58.71%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-135.5150.6-176.1-60.8-88.6000108.9Y19 Y22 L94 D95 E98 V100 V106 V107 R123Y19-Y125 HydrophobicContact CD2-CD2 4.33Å; Y19-Y125 AromaticContact CD2-CE2 3.98Å; Y19-Y125 HydrophobicContact CD2-CE2 3.98Å; Y19-Y125 AromaticContact CE2-CD2 3.64Å; Y19-Y125 HydrophobicContact CE2-CD2 3.64Å; Y19-Y125 AromaticContact CE2-CE2 3.63Å; Y19-Y125 HydrophobicContact CE2-CE2 3.63Å; Y22-Y125 WeakPolarHBondContact CE1-O 3.33Å; Y22-Y125 PolarHBondContact OH-O 3.42Å; L94-Y125 HydrophobicContact CD2-CE2 3.94Å; L94-Y125 WeakPolarHBondContact CD2-OH 3.21Å; L94-Y125 HydrophobicContact CG-CE2 4.05Å; L94-Y125 VanDerWaalsContact CG-OH 3.32Å; L94-Y125 WeakPolarHBondContact CG-OH 3.44Å; D95-Y125 VanDerWaalsContact OD1-CE1 3.3Å; D95-Y125 WeakPolarHBondContact OD1-CE1 3.33Å; D95-Y125 PolarHBondContact OD1-OH 3.45Å; E98-Y125 HydrophobicContact CB-CD1 3.92Å; E98-Y125 HydrophobicContact CB-CD2 4.47Å; E98-Y125 HydrophobicContact CB-CE1 4.04Å; E98-Y125 HydrophobicContact CB-CG 4.15Å; E98-Y125 HydrophobicContact CG-CD1 4.22Å; E98-Y125 HydrophobicContact CG-CD2 3.89Å; E98-Y125 HydrophobicContact CG-CE1 4.19Å; E98-Y125 HydrophobicContact CG-CE2 3.91Å; E98-Y125 HydrophobicContact CG-CG 4.07Å; V100-Y125 HydrophobicContact CG2-CD1 3.96Å; V100-Y125 HydrophobicContact CG2-CE1 3.7Å; V106-Y125 VanDerWaalsContact O-CA 3.28Å; V106-Y125 WeakPolarHBondContact O-CA 3.4Å; V107-Y125 HydrophobicContact CG2-CD1 4.21Å; V107-Y125 HydrophobicContact CG2-CE1 3.79Å; R123-Y125 PolarHBondContact NE-OH 2.95Å
126L98.7Very high97.2Very high28 Ų2853.3 Ų53.315%0.14730%0.295CS..EExtended strand (participates in β ladder)trans-146.8163.6164.863.575.9000110.9I71 Y105 V106 I108 T128I71-L126 HydrophobicContact CG1-CB 3.87Å; I71-L126 WeakPolarHBondContact O-CB 3.42Å; Y105-L126 CarbonylContact C-O 3.51Å; Y105-L126 WeakPolarHBondContact CA-O 3.46Å; Y105-L126 VanDerWaalsContact CD1-C 3.41Å; V106-L126 HydrophobicContact CG2-CD1 3.6Å; V106-L126 HydrophobicContact CG2-CG 4.08Å; V106-L126 PolarHBondContact N-O 3.44Å; V106-L126 PolarHBondContact O-N 3.34Å; V106-L126 VanDerWaalsContact O-N 3.1Å; I108-L126 HydrophobicContact CD1-CB 4.28Å; I108-L126 HydrophobicContact CD1-CD2 3.69Å; I108-L126 HydrophobicContact CD1-CG 4Å; I108-L126 HydrophobicContact CG2-CD2 4.01Å; I108-L126 HydrophobicContact CG2-CG 3.92Å; L126-T128 HydrophobicContact CD1-CG2 3.74Å
127M98.5Very high97.6Very high6 Ų650.9 Ų50.93%0.0329%0.288CS..  trans-91.1133.4169.4-58.5-172-177.200110.8I68 T70 M104 Y105 Y130I68-M127 HydrophobicContact CD1-CE 3.49Å; I68-M127 VanDerWaalsContact CD1-CE 3.49Å; I68-M127 HydrophobicContact CG1-CE 3.17Å; T70-M127 WeakPolarHBondContact OG1-CB 3.41Å; T70-M127 PolarHBondContact OG1-N 3.05Å; M104-M127 WeakPolarHBondContact O-CG 3.36Å; Y105-M127 HydrophobicContact CD1-CG 4.1Å; Y105-M127 HydrophobicContact CE1-CE 4.17Å; Y105-M127 HydrophobicContact CE1-CG 3.9Å; Y105-M127 HydrophobicContact CE2-CE 3.79Å; Y105-M127 WeakPolarHBondContact OH-CE 2.94Å; M127-Y130 HydrophobicContact CB-CD1 3.71Å; M127-Y130 HydrophobicContact CB-CG 4.15Å; M127-Y130 VanDerWaalsContact SD-CB 3.59Å; M127-Y130 HydrophobicContact SD-CG 4.12Å
128T95.9Very high97.9Very high106 Ų10649.2 Ų49.265%0.6526%0.263SS*.SBendtrans-96.6-20.6173.452.80000113.4V106 L126V106-T128 HydrophobicContact CB-CG2 4.46Å; V106-T128 HydrophobicContact CG1-CG2 3.91Å; V106-T128 HydrophobicContact CG2-CG2 3.68Å; L126-T128 HydrophobicContact CD1-CG2 3.74Å
129N96.4Very high98.1Very high105 Ų10544.9 Ų44.956%0.56124%0.244SC*.SBendtrans-136.498.4180179.914.2000109.6Q57Q57-N129 PolarHBondContact N-O 3.11Å
130Y98.3Very high98.1Very high54 Ų5441 Ų4121%0.21223%0.225CC..EExtended strand (participates in β ladder)trans-148156.5179.976.2-86000111.1D52 N55 T70 M127D52-Y130 HydrophobicContact CB-CE2 4.48Å; D52-Y130 WeakPolarHBondContact OD2-CE2 3.47Å; D52-Y130 PolarHBondContact OD2-OH 3.32Å; N55-Y130 WeakPolarHBondContact O-CA 3.43Å; T70-Y130 HydrophobicContact CG2-CD1 4.17Å; T70-Y130 HydrophobicContact CG2-CD2 4.27Å; T70-Y130 HydrophobicContact CG2-CE1 3.76Å; T70-Y130 HydrophobicContact CG2-CE2 3.86Å; T70-Y130 HydrophobicContact CG2-CG 4.4Å; M127-Y130 HydrophobicContact CB-CD1 3.71Å; M127-Y130 HydrophobicContact CB-CG 4.15Å; M127-Y130 VanDerWaalsContact SD-CB 3.59Å; M127-Y130 HydrophobicContact SD-CG 4.12Å
131E98.1Very high98.2Very high123 Ų12343.7 Ų43.758%0.57524%0.236SC*.EExtended strand (participates in β ladder)trans-102.4126.7167.1-67174.7-168.900108.4G54 N55 A133G54-E131 CarbonylContact C-O 3.25Å; G54-E131 VanDerWaalsContact CA-O 3.27Å; G54-E131 WeakPolarHBondContact CA-O 3.32Å; N55-E131 PolarHBondContact N-O 3.21Å; N55-E131 PolarHBondContact O-N 2.95Å; N55-E131 VanDerWaalsContact O-N 3.07Å; E131-A133 PolarHBondContact O-N 3.23Å
132S98.4Very high98.2Very high83 Ų8340.7 Ų40.758%0.5822%0.218SC*.EExtended strand (participates in β ladder)trans-59.1129.3177.4-58.90000110.1D52 F53D52-S132 PolarHBondContact OD2-OG 3.3Å; F53-S132 CarbonylContact O-C 3.5Å; F53-S132 WeakPolarHBondContact O-CA 3.38Å
133A98.4Very high98.2Very high19 Ų1940.7 Ų40.716%0.15722%0.218CC..  trans-152.1141.4-177.100000110.1F53 N55 E131F53-A133 CarbonylContact C-O 3.42Å; F53-A133 VanDerWaalsContact C-O 3.25Å; F53-A133 WeakPolarHBondContact CB-O 3.03Å; F53-A133 PolarHBondContact O-N 3.03Å; N55-A133 HydrophobicContact CB-CB 4.49Å; N55-A133 WeakPolarHBondContact ND2-CB 3.39Å; E131-A133 PolarHBondContact O-N 3.23Å
134P98.5Very high98.2Very high68 Ų6839.2 Ų39.244%0.44222%0.216SC..PPolyproline II helixtrans-64.2146.7179.723.1-30.6000112G67 E164 N166G67-P134 PolarHBondContact N-O 3.25Å; P134-E164 WeakPolarHBondContact CB-O 3.34Å; P134-N166 HydrophobicContact CB-CB 4.35Å; P134-N166 HydrophobicContact CG-CB 3.98Å
135P98.7Very high98.2Very high1 Ų140.7 Ų40.71%0.00622%0.223CC..PPolyproline II helixtrans-69.6162.1174.830.4-34.8000111.8F53 G67 Y139 K140 I163 P165 N166F53-P135 HydrophobicContact CD1-CB 3.6Å; F53-P135 HydrophobicContact CD1-CG 3.85Å; F53-P135 HydrophobicContact CD2-CG 4.44Å; F53-P135 HydrophobicContact CE1-CB 3.94Å; F53-P135 HydrophobicContact CE1-CG 4.04Å; F53-P135 HydrophobicContact CG-CB 4.17Å; F53-P135 HydrophobicContact CG-CG 4.04Å; F53-P135 HydrophobicContact CZ-CG 4.47Å; G67-P135 VanDerWaalsContact O-CA 3.29Å; G67-P135 WeakPolarHBondContact O-CA 3.48Å; P135-Y139 HydrophobicContact CB-CD1 3.82Å; P135-K140 HydrophobicContact CG-CB 4.27Å; P135-I163 HydrophobicContact CG-CG2 3.79Å; P135-P165 CarbonylContact O-C 3.57Å; P135-P165 WeakPolarHBondContact O-CA 3.37Å; P135-P165 WeakPolarHBondContact O-CB 3.38Å; P135-N166 PolarHBondContact O-N 3.14Å
136S98.6Very high98.2Very high0 Ų040.5 Ų40.50%022%0.223CC..PPolyproline II helixtrans-69.9157.7166.863.50000112.1W64 Q138 Y139 K140 N166W64-S136 WeakPolarHBondContact O-CB 3.37Å; W64-S136 PolarHBondContact O-OG 2.86Å; S136-Q138 PolarHBondContact O-N 3.28Å; S136-Y139 PolarHBondContact O-N 3.19Å; S136-Y139 WeakPolarHBondContact OG-CB 3.28Å; S136-Y139 PolarHBondContact OG-N 2.93Å; S136-Y139 VanDerWaalsContact OG-N 3.15Å; S136-K140 WeakPolarHBondContact O-CB 3.32Å; S136-K140 PolarHBondContact O-N 3.46Å; S136-N166 WeakPolarHBondContact CA-OD1 3.09Å
137P98.2Very high98.2Very high50 Ų5039.2 Ų39.233%0.32522%0.216SC..Hα-helixtrans-53.1-41.5173.4-27.936.1000112.9K141 P165P137-K141 VanDerWaalsContact O-CB 3.32Å; P137-K141 WeakPolarHBondContact O-CB 3.5Å; P137-K141 PolarHBondContact O-N 3.47Å; P137-P165 HydrophobicContact CB-CB 4.48Å; P137-P165 HydrophobicContact CG-CB 4.05Å; P137-P165 HydrophobicContact CG-CG 4.26Å
138Q98.1Very high98.2Very high27 Ų2744.7 Ų44.713%0.12624%0.239CC..Hα-helixtrans-67.4-44.8179.6-64.784.8-14.100111.8S136 K141 I142 G170 V172 I180S136-Q138 PolarHBondContact O-N 3.28Å; Q138-K141 WeakPolarHBondContact O-CB 3.47Å; Q138-K141 PolarHBondContact O-N 2.89Å; Q138-I142 WeakPolarHBondContact O-CG1 3.43Å; Q138-I142 PolarHBondContact O-N 3.14Å; Q138-G170 PolarHBondContact NE2-O 2.72Å; Q138-V172 HydrophobicContact CB-CG1 3.95Å; Q138-V172 HydrophobicContact CB-CG2 4.13Å; Q138-V172 HydrophobicContact CG-CG1 4.23Å; Q138-V172 HydrophobicContact CG-CG2 4.17Å; Q138-I180 HydrophobicContact CB-CD1 3.86Å; Q138-I180 HydrophobicContact CG-CD1 4.07Å
139Y98.5Very high98.3Very high7 Ų744 Ų443%0.02723%0.229CC..Hα-helixtrans-64.5-44.8178.5-172.9-118.1000111.6S24 F53 W64 I68 A69 P135 S136 K141 I142 I143S24-Y139 PolarHBondContact N-OH 2.7Å; F53-Y139 HydrophobicContact CD1-CD1 4.16Å; F53-Y139 AromaticContact CD1-CE1 3.89Å; F53-Y139 HydrophobicContact CD1-CE1 3.89Å; F53-Y139 HydrophobicContact CE1-CD1 4.01Å; F53-Y139 AromaticContact CE1-CE1 3.69Å; F53-Y139 HydrophobicContact CE1-CE1 3.69Å; W64-Y139 HydrophobicContact CB-CD2 4.23Å; W64-Y139 HydrophobicContact CB-CG 4.3Å; W64-Y139 AromaticContact CD1-CD2 3.98Å; W64-Y139 AromaticContact CD1-CE2 3.94Å; W64-Y139 AromaticContact CD2-CD2 3.16Å; W64-Y139 HydrophobicContact CD2-CD2 3.16Å; W64-Y139 AromaticContact CD2-CE2 3.79Å; W64-Y139 HydrophobicContact CD2-CE2 3.79Å; W64-Y139 AromaticContact CD2-CG 3.97Å; W64-Y139 HydrophobicContact CD2-CG 3.97Å; W64-Y139 AromaticContact CE2-CD2 3.34Å; W64-Y139 AromaticContact CE2-CE2 3.5Å; W64-Y139 AromaticContact CE3-CD2 3.38Å; W64-Y139 HydrophobicContact CE3-CD2 3.38Å; W64-Y139 HydrophobicContact CE3-CE2 4.38Å; W64-Y139 AromaticContact CE3-CG 3.99Å; W64-Y139 HydrophobicContact CE3-CG 3.99Å; W64-Y139 AromaticContact CG-CD2 3.57Å; W64-Y139 HydrophobicContact CG-CD2 3.57Å; W64-Y139 HydrophobicContact CG-CE2 4Å; W64-Y139 HydrophobicContact CG-CG 4.13Å; W64-Y139 AromaticContact CH2-CD2 3.85Å; W64-Y139 HydrophobicContact CH2-CD2 3.85Å; W64-Y139 HydrophobicContact CH2-CE2 4.4Å; W64-Y139 AromaticContact CZ2-CD2 3.68Å; W64-Y139 HydrophobicContact CZ2-CD2 3.68Å; W64-Y139 AromaticContact CZ2-CE2 3.83Å; W64-Y139 HydrophobicContact CZ2-CE2 3.83Å; W64-Y139 AromaticContact CZ3-CD2 3.71Å; W64-Y139 HydrophobicContact CZ3-CD2 3.71Å; W64-Y139 HydrophobicContact CZ3-CG 4.49Å; W64-Y139 AromaticContact NE1-CD2 3.85Å; W64-Y139 AromaticContact NE1-CE2 3.63Å; I68-Y139 HydrophobicContact CB-CE1 4.1Å; I68-Y139 HydrophobicContact CG2-CE1 4.34Å; A69-Y139 HydrophobicContact CB-CE1 4.25Å; A69-Y139 PolarHBondContact N-OH 3.15Å; A69-Y139 VanDerWaalsContact N-OH 3.13Å; P135-Y139 HydrophobicContact CB-CD1 3.82Å; S136-Y139 PolarHBondContact O-N 3.19Å; S136-Y139 WeakPolarHBondContact OG-CB 3.28Å; S136-Y139 PolarHBondContact OG-N 2.93Å; S136-Y139 VanDerWaalsContact OG-N 3.15Å; Y139-K141 VanDerWaalsContact C-N 3.3Å; Y139-K141 PolarHBondContact O-N 2.86Å; Y139-I142 PolarHBondContact O-N 3.11Å; Y139-I143 HydrophobicContact CD1-CD1 3.86Å; Y139-I143 HydrophobicContact CE1-CD1 3.42Å; Y139-I143 VanDerWaalsContact CE1-CD1 3.42Å; Y139-I143 HydrophobicContact CE2-CD1 4.45Å; Y139-I143 HydrophobicContact CG-CD1 4.48Å; Y139-I143 PolarHBondContact O-N 3.26Å; Y139-I143 VanDerWaalsContact O-N 3.14Å
140K98.6Very high98.3Very high42 Ų4239.8 Ų39.818%0.18321%0.206CC..Hα-helixtrans-56.5-45.2172.8178.9-173.4171.5-173.30111P135 S136 I142 I143 C144 L160 K161 I163 P165P135-K140 HydrophobicContact CG-CB 4.27Å; S136-K140 WeakPolarHBondContact O-CB 3.32Å; S136-K140 PolarHBondContact O-N 3.46Å; K140-I142 PolarHBondContact O-N 2.85Å; K140-I143 PolarHBondContact O-N 2.87Å; K140-C144 PolarHBondContact O-N 2.88Å; K140-C144 PolarHBondContact O-SG 2.91Å; K140-L160 WeakPolarHBondContact CE-O 3.33Å; K140-K161 VanDerWaalsContact CE-O 3.27Å; K140-K161 WeakPolarHBondContact CE-O 3.28Å; K140-K161 PolarHBondContact NZ-O 2.52Å; K140-I163 WeakPolarHBondContact CD-O 3.29Å; K140-I163 WeakPolarHBondContact CE-O 3.49Å; K140-I163 PolarHBondContact NZ-O 2.76Å; K140-P165 HydrophobicContact CD-CB 4.29Å; K140-P165 HydrophobicContact CD-CG 4.33Å
141K97.9Very high98.3Very high74 Ų7439 Ų3932%0.32222%0.215SC..Hα-helixtrans-58.5-46.7179.3-177.673179.9-135.10111.7P137 Q138 Y139 I143 C144 M145 I180 E184P137-K141 VanDerWaalsContact O-CB 3.32Å; P137-K141 WeakPolarHBondContact O-CB 3.5Å; P137-K141 PolarHBondContact O-N 3.47Å; Q138-K141 WeakPolarHBondContact O-CB 3.47Å; Q138-K141 PolarHBondContact O-N 2.89Å; Y139-K141 VanDerWaalsContact C-N 3.3Å; Y139-K141 PolarHBondContact O-N 2.86Å; K141-I143 PolarHBondContact O-N 2.86Å; K141-C144 PolarHBondContact O-N 3.26Å; K141-M145 HydrophobicContact CD-SD 4.42Å; K141-M145 HydrophobicContact CG-CG 4.47Å; K141-M145 HydrophobicContact CG-SD 3.93Å; K141-M145 WeakPolarHBondContact O-CB 3.32Å; K141-M145 VanDerWaalsContact O-CG 3.29Å; K141-M145 WeakPolarHBondContact O-CG 3.48Å; K141-M145 PolarHBondContact O-N 3.1Å; K141-I180 HydrophobicContact CG-CG1 4.35Å; K141-I180 HydrophobicContact CG-CG2 4.12Å; K141-E184 IonicContact NZ-OE1 2.76Å; K141-E184 PolarHBondContact NZ-OE1 3.31Å
142I98.4Very high98.3Very high0 Ų033.3 Ų33.30%019%0.189CC..Hα-helixtrans-59.4-45177.7-69.8-69.3000111.6L27 R30 W64 Q138 Y139 K140 M145 G146 I176 I179 I180L27-I142 HydrophobicContact CB-CG2 4.41Å; L27-I142 HydrophobicContact CD2-CD1 3.87Å; L27-I142 HydrophobicContact CD2-CG2 4.23Å; R30-I142 HydrophobicContact CB-CG2 4.42Å; R30-I142 HydrophobicContact CG-CG2 4.31Å; W64-I142 HydrophobicContact CH2-CB 4.31Å; W64-I142 HydrophobicContact CH2-CG1 3.99Å; W64-I142 HydrophobicContact CH2-CG2 4.25Å; W64-I142 HydrophobicContact CZ3-CG1 4.06Å; Q138-I142 WeakPolarHBondContact O-CG1 3.43Å; Q138-I142 PolarHBondContact O-N 3.14Å; Y139-I142 PolarHBondContact O-N 3.11Å; K140-I142 PolarHBondContact O-N 2.85Å; I142-M145 PolarHBondContact O-N 3.31Å; I142-G146 PolarHBondContact O-N 3Å; I142-I176 HydrophobicContact CD1-CG2 4.04Å; I142-I176 HydrophobicContact CG1-CG2 4.01Å; I142-I179 HydrophobicContact CD1-CB 4.47Å; I142-I179 HydrophobicContact CD1-CG2 3.75Å; I142-I180 HydrophobicContact CD1-CD1 4.37Å; I142-I180 HydrophobicContact CD1-CG1 3.75Å; I142-I180 HydrophobicContact CG1-CD1 4.3Å; I142-I180 HydrophobicContact CG1-CG1 4.16Å
143I98.7Very high98.2Very high2 Ų230.7 Ų30.71%0.0117%0.169CC..Hα-helixtrans-60.4-48.5176.8-75.1169.3000111.1L26 F53 Y139 K140 K141 M145 G146 A147 L160L26-I143 HydrophobicContact CD1-CG2 4.05Å; F53-I143 HydrophobicContact CE1-CD1 3.56Å; F53-I143 HydrophobicContact CZ-CD1 3.95Å; Y139-I143 HydrophobicContact CD1-CD1 3.86Å; Y139-I143 HydrophobicContact CE1-CD1 3.42Å; Y139-I143 VanDerWaalsContact CE1-CD1 3.42Å; Y139-I143 HydrophobicContact CE2-CD1 4.45Å; Y139-I143 HydrophobicContact CG-CD1 4.48Å; Y139-I143 PolarHBondContact O-N 3.26Å; Y139-I143 VanDerWaalsContact O-N 3.14Å; K140-I143 PolarHBondContact O-N 2.87Å; K141-I143 PolarHBondContact O-N 2.86Å; I143-M145 VanDerWaalsContact C-N 3.33Å; I143-M145 PolarHBondContact O-N 2.91Å; I143-G146 PolarHBondContact O-N 3.37Å; I143-A147 WeakPolarHBondContact O-CB 3.34Å; I143-A147 PolarHBondContact O-N 3.33Å; I143-L160 HydrophobicContact CG2-CD1 4Å; I143-L160 HydrophobicContact CG2-CD2 3.89Å; I143-L160 HydrophobicContact CG2-CG 4.43Å
144C98.5Very high98.2Very high25 Ų2535.7 Ų35.717%0.16919%0.193CC..Hα-helixtrans-63.3-38.3178.5-71.90000112.6K140 K141 K148K140-C144 PolarHBondContact O-N 2.88Å; K140-C144 PolarHBondContact O-SG 2.91Å; K141-C144 PolarHBondContact O-N 3.26Å; C144-K148 WeakPolarHBondContact O-CB 3.49Å; C144-K148 PolarHBondContact O-N 3.14Å
145M98.2Very high98.2Very high31 Ų3139.1 Ų39.115%0.15320%0.203CC..Hα-helixtrans-62.5-48.1175.2-75.7172.655.400111.1L27 K141 I142 I143 A147 K148 E149 I179L27-M145 HydrophobicContact CD1-CB 4.18Å; L27-M145 HydrophobicContact CD2-CB 4.31Å; L27-M145 HydrophobicContact CD2-CE 4.08Å; K141-M145 HydrophobicContact CD-SD 4.42Å; K141-M145 HydrophobicContact CG-CG 4.47Å; K141-M145 HydrophobicContact CG-SD 3.93Å; K141-M145 WeakPolarHBondContact O-CB 3.32Å; K141-M145 VanDerWaalsContact O-CG 3.29Å; K141-M145 WeakPolarHBondContact O-CG 3.48Å; K141-M145 PolarHBondContact O-N 3.1Å; I142-M145 PolarHBondContact O-N 3.31Å; I143-M145 VanDerWaalsContact C-N 3.33Å; I143-M145 PolarHBondContact O-N 2.91Å; M145-A147 PolarHBondContact O-N 3.24Å; M145-K148 PolarHBondContact O-N 3.1Å; M145-E149 WeakPolarHBondContact O-CB 3.37Å; M145-E149 PolarHBondContact O-N 2.6Å; M145-I179 HydrophobicContact CE-CG2 4.14Å
146G98.5Very high98.2Very high0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-63.9-40.2177.900000113.3L26 I142 I143 K148 E149 N150L26-G146 CarbonylContact O-C 3.57Å; L26-G146 VanDerWaalsContact O-CA 3.29Å; L26-G146 WeakPolarHBondContact O-CA 3.42Å; I142-G146 PolarHBondContact O-N 3Å; I143-G146 PolarHBondContact O-N 3.37Å; G146-K148 VanDerWaalsContact C-N 3.32Å; G146-K148 PolarHBondContact O-N 3.16Å; G146-E149 PolarHBondContact O-N 3.13Å; G146-N150 PolarHBondContact O-N 3.24Å; G146-N150 PolarHBondContact O-ND2 3.28Å
147A98.6Very high98.2Very high0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-60.6-41.9175.400000112.2I143 M145 G151 L152 Q157 L160I143-A147 WeakPolarHBondContact O-CB 3.34Å; I143-A147 PolarHBondContact O-N 3.33Å; M145-A147 PolarHBondContact O-N 3.24Å; A147-G151 PolarHBondContact O-N 3.14Å; A147-L152 HydrophobicContact CB-CB 4.28Å; A147-L152 HydrophobicContact CB-CD2 3.98Å; A147-L152 PolarHBondContact O-N 3.46Å; A147-Q157 HydrophobicContact CB-CG 4.26Å; A147-L160 HydrophobicContact CB-CD1 3.55Å
148K98.2Very high98.2Very high122 Ų12243 Ų4353%0.5322%0.216SC..Hα-helixtrans-69.5-48.1175.8-177.9-176.3174.6-171.60111.9C144 M145 G146 N150 G151C144-K148 WeakPolarHBondContact O-CB 3.49Å; C144-K148 PolarHBondContact O-N 3.14Å; M145-K148 PolarHBondContact O-N 3.1Å; G146-K148 VanDerWaalsContact C-N 3.32Å; G146-K148 PolarHBondContact O-N 3.16Å; K148-N150 VanDerWaalsContact C-N 3.33Å; K148-N150 PolarHBondContact O-N 2.96Å; K148-G151 PolarHBondContact O-N 3.46Å
149E98Very high98.2Very high90 Ų9047.4 Ų47.442%0.42124%0.235SC..Hα-helixtrans-53.5-49.4-179.4179.1-168.1-105.400111.3L27 T28 M145 G146 G151L27-E149 HydrophobicContact CD1-CB 4.37Å; L27-E149 WeakPolarHBondContact CD1-OE1 3.44Å; T28-E149 VanDerWaalsContact CB-OE2 3.23Å; T28-E149 WeakPolarHBondContact CB-OE2 3.37Å; T28-E149 PolarHBondContact N-OE2 3Å; T28-E149 PolarHBondContact OG1-OE2 3.15Å; M145-E149 WeakPolarHBondContact O-CB 3.37Å; M145-E149 PolarHBondContact O-N 2.6Å; G146-E149 PolarHBondContact O-N 3.13Å; E149-G151 VanDerWaalsContact C-N 3.34Å
150N97.7Very high98.3Very high17 Ų1747.2 Ų47.29%0.09124%0.235CC..THydrogen-bonded Turntrans-891.6-175-70.7-72.5000113.9L26 F40 V43 V82 G146 K148 L152L26-N150 PolarHBondContact O-ND2 3.29Å; F40-N150 WeakPolarHBondContact CD2-OD1 2.86Å; F40-N150 HydrophobicContact CE2-CB 4.04Å; F40-N150 VanDerWaalsContact CE2-OD1 3.27Å; F40-N150 WeakPolarHBondContact CE2-OD1 3.3Å; V43-N150 HydrophobicContact CG2-CB 4.37Å; V43-N150 WeakPolarHBondContact CG2-O 3.49Å; V82-N150 HydrophobicContact CG2-CB 3.58Å; G146-N150 PolarHBondContact O-N 3.24Å; G146-N150 PolarHBondContact O-ND2 3.28Å; K148-N150 VanDerWaalsContact C-N 3.33Å; K148-N150 PolarHBondContact O-N 2.96Å; N150-L152 HydrophobicContact CB-CD1 4.21Å
151G96.8Very high98.2Very high39 Ų3950 Ų5040%0.40225%0.246SC..THydrogen-bonded Turntrans6941.9174.700000114.1A147 K148 E149A147-G151 PolarHBondContact O-N 3.14Å; K148-G151 PolarHBondContact O-N 3.46Å; E149-G151 VanDerWaalsContact C-N 3.34Å
152L98.2Very high98.3Very high3 Ų350 Ų502%0.01626%0.261CS..  trans-58.4154.8167.8-87.862.8000110L26 V43 W80 V82 A147 N150 L154 Y156 Q157L26-L152 HydrophobicContact CD1-CD2 4.44Å; L26-L152 HydrophobicContact CD2-CD2 4.19Å; V43-L152 HydrophobicContact CG1-CD1 4.03Å; V43-L152 HydrophobicContact CG1-CG 4.11Å; V43-L152 HydrophobicContact CG2-CD1 3.86Å; W80-L152 HydrophobicContact CB-CD2 4.01Å; W80-L152 HydrophobicContact CB-CG 4.22Å; V82-L152 HydrophobicContact CG2-CD1 4.03Å; A147-L152 HydrophobicContact CB-CB 4.28Å; A147-L152 HydrophobicContact CB-CD2 3.98Å; A147-L152 PolarHBondContact O-N 3.46Å; N150-L152 HydrophobicContact CB-CD1 4.21Å; L152-L154 PolarHBondContact O-N 3.43Å; L152-Y156 HydrophobicContact CD2-CD1 3.98Å; L152-Y156 HydrophobicContact CD2-CE1 4.22Å; L152-Q157 HydrophobicContact CB-CG 4.46Å; L152-Q157 PolarHBondContact O-NE2 3.19Å
153P97.9Very high98.3Very high27 Ų2751.8 Ų51.818%0.17527%0.27CS..  trans-53.7141.9-178.3-28.837.4000113W80 E155 Y156 Q157W80-P153 HydrophobicContact CD2-CG 3.52Å; W80-P153 HydrophobicContact CE3-CG 3.7Å; W80-P153 HydrophobicContact CG-CG 4.12Å; W80-P153 HydrophobicContact CH2-CG 3.85Å; W80-P153 HydrophobicContact CZ2-CG 3.7Å; W80-P153 HydrophobicContact CZ3-CG 3.86Å; P153-E155 VanDerWaalsContact C-N 3.29Å; P153-E155 PolarHBondContact O-N 2.98Å; P153-Y156 WeakPolarHBondContact O-CA 3.44Å; P153-Y156 WeakPolarHBondContact O-CB 3.19Å; P153-Y156 PolarHBondContact O-N 3.3Å; P153-Q157 PolarHBondContact O-N 2.97Å
154L98.2Very high98.2Very high124 Ų12459.6 Ų59.665%0.64931%0.306SS*.Hα-helixtrans-59.7-40.4-174.9-66.2178.7000111.6L152 Y156 Q157 E158L152-L154 PolarHBondContact O-N 3.43Å; L154-Y156 PolarHBondContact O-N 3.41Å; L154-Q157 WeakPolarHBondContact O-CB 3.41Å; L154-Q157 PolarHBondContact O-N 2.97Å; L154-E158 WeakPolarHBondContact O-CG 3.48Å; L154-E158 PolarHBondContact O-N 3.23Å
155E98.1Very high98.2Very high141 Ų14160.9 Ų60.966%0.65931%0.314SS*.Hα-helixtrans-61.6-35.6176.4-59.288177.200111.8P153 E158 K159P153-E155 VanDerWaalsContact C-N 3.29Å; P153-E155 PolarHBondContact O-N 2.98Å; E155-E158 PolarHBondContact O-N 2.95Å; E155-K159 WeakPolarHBondContact O-CG 3.2Å; E155-K159 PolarHBondContact O-N 3.31Å
156Y98.4Very high98.2Very high12 Ų1261.1 Ų61.15%0.04732%0.316CS..Hα-helixtrans-72.4-38.8176.9-162-98.9000111.7W80 L152 P153 L154 E158 K159 L160W80-Y156 HydrophobicContact CB-CD1 3.71Å; W80-Y156 HydrophobicContact CB-CD2 4.12Å; W80-Y156 HydrophobicContact CB-CE1 3.9Å; W80-Y156 HydrophobicContact CB-CE2 4.31Å; W80-Y156 HydrophobicContact CB-CG 3.81Å; W80-Y156 AromaticContact CD1-CD2 3.53Å; W80-Y156 AromaticContact CD1-CG 3.78Å; W80-Y156 HydrophobicContact CG-CD1 4.46Å; W80-Y156 HydrophobicContact CG-CD2 4.18Å; W80-Y156 HydrophobicContact CG-CG 4.08Å; L152-Y156 HydrophobicContact CD2-CD1 3.98Å; L152-Y156 HydrophobicContact CD2-CE1 4.22Å; P153-Y156 WeakPolarHBondContact O-CA 3.44Å; P153-Y156 WeakPolarHBondContact O-CB 3.19Å; P153-Y156 PolarHBondContact O-N 3.3Å; L154-Y156 PolarHBondContact O-N 3.41Å; Y156-E158 VanDerWaalsContact C-N 3.3Å; Y156-E158 PolarHBondContact O-N 2.97Å; Y156-K159 HydrophobicContact CD2-CD 4.38Å; Y156-K159 WeakPolarHBondContact O-CB 3.45Å; Y156-K159 PolarHBondContact O-N 3.42Å; Y156-L160 HydrophobicContact CD1-CD1 3.81Å; Y156-L160 HydrophobicContact CD1-CG 4.03Å; Y156-L160 HydrophobicContact CE1-CD1 3.81Å; Y156-L160 HydrophobicContact CE1-CD2 4.02Å; Y156-L160 HydrophobicContact CE1-CG 3.92Å; Y156-L160 WeakPolarHBondContact O-CG 3.43Å; Y156-L160 PolarHBondContact O-N 3.47Å
157Q98.7Very high98.2Very high20 Ų2068.2 Ų68.29%0.09335%0.354CS..Hα-helixtrans-59.6-41172.5-64.7-175.938.800111.7A147 L152 P153 L154 L160 K161A147-Q157 HydrophobicContact CB-CG 4.26Å; L152-Q157 HydrophobicContact CB-CG 4.46Å; L152-Q157 PolarHBondContact O-NE2 3.19Å; P153-Q157 PolarHBondContact O-N 2.97Å; L154-Q157 WeakPolarHBondContact O-CB 3.41Å; L154-Q157 PolarHBondContact O-N 2.97Å; Q157-L160 PolarHBondContact O-N 3.3Å; Q157-K161 WeakPolarHBondContact O-CG 3.27Å; Q157-K161 PolarHBondContact O-N 2.94Å
158E98.6Very high98.2Very high101 Ų10171 Ų7147%0.47237%0.365SS..Hα-helixtrans-66.4-40.2175.6-65.4-48.3123.800112.1L154 E155 Y156 L160 K161 A162L154-E158 WeakPolarHBondContact O-CG 3.48Å; L154-E158 PolarHBondContact O-N 3.23Å; E155-E158 PolarHBondContact O-N 2.95Å; Y156-E158 VanDerWaalsContact C-N 3.3Å; Y156-E158 PolarHBondContact O-N 2.97Å; E158-L160 VanDerWaalsContact C-N 3.3Å; E158-L160 PolarHBondContact O-N 3.31Å; E158-K161 PolarHBondContact O-N 2.97Å; E158-K161 IonicContact OE1-NZ 3.48Å; E158-K161 PolarHBondContact OE1-NZ 3.25Å; E158-A162 WeakPolarHBondContact O-CB 3.36Å; E158-A162 PolarHBondContact O-N 2.85Å
159K98.4Very high98.1Very high119 Ų11971.8 Ų71.852%0.51738%0.38SS..Hα-helixtrans-56.8-43.9171.3-73.2175.4-178.1179.30111.7E155 Y156 A162E155-K159 WeakPolarHBondContact O-CG 3.2Å; E155-K159 PolarHBondContact O-N 3.31Å; Y156-K159 HydrophobicContact CD2-CD 4.38Å; Y156-K159 WeakPolarHBondContact O-CB 3.45Å; Y156-K159 PolarHBondContact O-N 3.42Å; K159-A162 PolarHBondContact O-N 3.04Å
160L98.7Very high98Very high3 Ų369 Ų692%0.01638%0.375CS..Hα-helixtrans-65.1-41.1177.6-67.7173.3000112.2L51 K140 I143 A147 Y156 Q157 E158 A162 I163L51-L160 HydrophobicContact CD2-CD2 3.59Å; K140-L160 WeakPolarHBondContact CE-O 3.33Å; I143-L160 HydrophobicContact CG2-CD1 4Å; I143-L160 HydrophobicContact CG2-CD2 3.89Å; I143-L160 HydrophobicContact CG2-CG 4.43Å; A147-L160 HydrophobicContact CB-CD1 3.55Å; Y156-L160 HydrophobicContact CD1-CD1 3.81Å; Y156-L160 HydrophobicContact CD1-CG 4.03Å; Y156-L160 HydrophobicContact CE1-CD1 3.81Å; Y156-L160 HydrophobicContact CE1-CD2 4.02Å; Y156-L160 HydrophobicContact CE1-CG 3.92Å; Y156-L160 WeakPolarHBondContact O-CG 3.43Å; Y156-L160 PolarHBondContact O-N 3.47Å; Q157-L160 PolarHBondContact O-N 3.3Å; E158-L160 VanDerWaalsContact C-N 3.3Å; E158-L160 PolarHBondContact O-N 3.31Å; L160-A162 VanDerWaalsContact C-N 3.28Å; L160-A162 PolarHBondContact O-N 3.23Å; L160-I163 HydrophobicContact CD2-CD1 3.96Å; L160-I163 WeakPolarHBondContact O-CB 3.15Å; L160-I163 WeakPolarHBondContact O-CD1 3.45Å; L160-I163 PolarHBondContact O-N 2.93Å
161K98.4Very high97.8Very high99 Ų9976.1 Ų76.143%0.4341%0.405SS..Hα-helixtrans-65.2-31.7176.4-71.1170.4-167.7168.10112.6K140 Q157 E158 I163K140-K161 VanDerWaalsContact CE-O 3.27Å; K140-K161 WeakPolarHBondContact CE-O 3.28Å; K140-K161 PolarHBondContact NZ-O 2.52Å; Q157-K161 WeakPolarHBondContact O-CG 3.27Å; Q157-K161 PolarHBondContact O-N 2.94Å; E158-K161 PolarHBondContact O-N 2.97Å; E158-K161 IonicContact OE1-NZ 3.48Å; E158-K161 PolarHBondContact OE1-NZ 3.25Å; K161-I163 VanDerWaalsContact C-N 3.28Å; K161-I163 PolarHBondContact O-N 2.68Å
162A98.4Very high97.8Very high76 Ų7674.9 Ų74.963%0.62839%0.39SS*.Hα-helixtrans-74.5-12.8179.500000114.2E158 K159 L160 E164E158-A162 WeakPolarHBondContact O-CB 3.36Å; E158-A162 PolarHBondContact O-N 2.85Å; K159-A162 PolarHBondContact O-N 3.04Å; L160-A162 VanDerWaalsContact C-N 3.28Å; L160-A162 PolarHBondContact O-N 3.23Å; A162-E164 PolarHBondContact O-N 3.25Å
163I98.4Very high97.7Very high36 Ų3677 Ų7719%0.18541%0.406CS..SBendtrans-61.4124.8176.5-64.6160.9000109.8F53 P135 K140 L160 K161 P165F53-I163 HydrophobicContact CD2-CD1 4.5Å; F53-I163 HydrophobicContact CE2-CD1 3.46Å; F53-I163 VanDerWaalsContact CE2-CD1 3.46Å; F53-I163 HydrophobicContact CE2-CG1 4.37Å; F53-I163 HydrophobicContact CE2-CG2 4.34Å; F53-I163 HydrophobicContact CZ-CD1 3.79Å; P135-I163 HydrophobicContact CG-CG2 3.79Å; K140-I163 WeakPolarHBondContact CD-O 3.29Å; K140-I163 WeakPolarHBondContact CE-O 3.49Å; K140-I163 PolarHBondContact NZ-O 2.76Å; L160-I163 HydrophobicContact CD2-CD1 3.96Å; L160-I163 WeakPolarHBondContact O-CB 3.15Å; L160-I163 WeakPolarHBondContact O-CD1 3.45Å; L160-I163 PolarHBondContact O-N 2.93Å; K161-I163 VanDerWaalsContact C-N 3.28Å; K161-I163 PolarHBondContact O-N 2.68Å; I163-P165 WeakPolarHBondContact O-CD 3.38Å
164E98.2Very high97.6Very high166 Ų16683.6 Ų83.678%0.77643%0.434SS*.PPolyproline II helixtrans-76119.2173.7-66-176.2167.600109.9P134 A162P134-E164 WeakPolarHBondContact CB-O 3.34Å; A162-E164 PolarHBondContact O-N 3.25Å
165P98.4Very high97.5Very high52 Ų5282.8 Ų82.834%0.33843%0.427SS..PPolyproline II helixtrans-77.8166.8173.334.9-34.6000110.9P135 P137 K140 I163P135-P165 CarbonylContact O-C 3.57Å; P135-P165 WeakPolarHBondContact O-CA 3.37Å; P135-P165 WeakPolarHBondContact O-CB 3.38Å; P137-P165 HydrophobicContact CB-CB 4.48Å; P137-P165 HydrophobicContact CG-CB 4.05Å; P137-P165 HydrophobicContact CG-CG 4.26Å; K140-P165 HydrophobicContact CD-CB 4.29Å; K140-P165 HydrophobicContact CD-CG 4.33Å; I163-P165 WeakPolarHBondContact O-CD 3.38Å
166N98.3Very high97.4Very high36 Ų3676.2 Ų76.219%0.19340%0.396CS..  trans-70.7178.416773.223.7000111.7H65 G66 P134 P135 S136 Y168H65-N166 PolarHBondContact O-ND2 2.9Å; G66-N166 VanDerWaalsContact CA-ND2 3.33Å; G66-N166 WeakPolarHBondContact CA-ND2 3.42Å; P134-N166 HydrophobicContact CB-CB 4.35Å; P134-N166 HydrophobicContact CG-CB 3.98Å; P135-N166 PolarHBondContact O-N 3.14Å; S136-N166 WeakPolarHBondContact CA-OD1 3.09Å; N166-Y168 VanDerWaalsContact C-N 3.31Å; N166-Y168 PolarHBondContact O-N 3.06Å; N166-Y168 WeakPolarHBondContact OD1-CB 3.33Å; N166-Y168 PolarHBondContact OD1-N 3.2Å
167D97.8Very high97.3Very high149 Ų14978 Ų7880%0.79741%0.405SS*.  trans-90.118.6-177.665.5-17.3000114T169D167-T169 PolarHBondContact O-N 3.27Å
168Y98Very high97.2Very high59 Ų5981.4 Ų81.423%0.23142%0.424CS..  trans-63.3122.8179.1-177.3-100.9000111.4H65 N166 G170 K171H65-Y168 HydrophobicContact CB-CD1 3.8Å; H65-Y168 HydrophobicContact CB-CD2 3.47Å; H65-Y168 VanDerWaalsContact CB-CD2 3.47Å; H65-Y168 HydrophobicContact CB-CE1 3.77Å; H65-Y168 HydrophobicContact CB-CE2 3.42Å; H65-Y168 VanDerWaalsContact CB-CE2 3.42Å; H65-Y168 HydrophobicContact CB-CG 3.64Å; H65-Y168 AromaticContact CD2-CE1 3.61Å; H65-Y168 AromaticContact CD2-CE2 3.88Å; H65-Y168 AromaticContact CD2-CZ 3.25Å; H65-Y168 PolarHBondContact CD2-OH 2.81Å; H65-Y168 AromaticContact CG-CE1 3.83Å; H65-Y168 AromaticContact CG-CE2 3.43Å; H65-Y168 VanDerWaalsContact CG-CE2 3.43Å; H65-Y168 AromaticContact CG-CZ 3.31Å; H65-Y168 AromaticContact ND1-CE2 3.82Å; H65-Y168 AromaticContact ND1-CZ 3.94Å; H65-Y168 AromaticContact NE2-CZ 3.86Å; H65-Y168 PolarHBondContact NE2-OH 3.22Å; N166-Y168 VanDerWaalsContact C-N 3.31Å; N166-Y168 PolarHBondContact O-N 3.06Å; N166-Y168 WeakPolarHBondContact OD1-CB 3.33Å; N166-Y168 PolarHBondContact OD1-N 3.2Å; Y168-G170 WeakPolarHBondContact CE1-O 3.13Å; Y168-G170 WeakPolarHBondContact OH-CA 3.46Å; Y168-K171 PolarHBondContact OH-N 3.13Å; Y168-K171 PolarHBondContact OH-O 3.35Å
169T96.1Very high97.1Very high139 Ų13977 Ų7785%0.85340%0.403SS*.  trans-117.23.4-176.4470000113.5D167D167-T169 PolarHBondContact O-N 3.27Å
170G96.4Very high97Very high30 Ų3072.1 Ų72.131%0.30938%0.382SS..SBendtrans-78.3-165.1176.400000112.7Q138 Y168Q138-G170 PolarHBondContact NE2-O 2.72Å; Y168-G170 WeakPolarHBondContact CE1-O 3.13Å; Y168-G170 WeakPolarHBondContact OH-CA 3.46Å
171K94.2Very high96.8Very high167 Ų16778.8 Ų78.873%0.72641%0.411SS*.  trans-109.1144.1177-66.5-175.4177.2-176.80110.9Y168 E177Y168-K171 PolarHBondContact OH-N 3.13Å; Y168-K171 PolarHBondContact OH-O 3.35Å; K171-E177 VanDerWaalsContact CA-OE1 3.28Å; K171-E177 WeakPolarHBondContact CA-OE1 3.47Å; K171-E177 HydrophobicContact CB-CG 4.48Å
172V95.6Very high96.5Very high13 Ų1379.3 Ų79.38%0.07941%0.414CS..  trans-84.5-169162.8-650000109.6W64 Q138 I176 E177W64-V172 HydrophobicContact CE3-CG1 4.34Å; Q138-V172 HydrophobicContact CB-CG1 3.95Å; Q138-V172 HydrophobicContact CB-CG2 4.13Å; Q138-V172 HydrophobicContact CG-CG1 4.23Å; Q138-V172 HydrophobicContact CG-CG2 4.17Å; V172-I176 HydrophobicContact CB-CB 4.48Å; V172-I176 HydrophobicContact CB-CG2 4.46Å; V172-I176 HydrophobicContact CG2-CB 3.68Å; V172-I176 HydrophobicContact CG2-CG2 3.47Å; V172-I176 VanDerWaalsContact CG2-CG2 3.47Å; V172-E177 HydrophobicContact CG2-CG 4.01Å; V172-E177 VanDerWaalsContact CG2-OE1 3.28Å; V172-E177 WeakPolarHBondContact CG2-OE1 3.44Å; V172-E177 PolarHBondContact N-OE1 3.17Å
173S95.5Very high95.9Very high49 Ų4976.4 Ų76.434%0.34339%0.392SS..  trans-62.3151.3179.981.40000112.1E175 I176 E177S173-E175 VanDerWaalsContact CB-OE2 3.24Å; S173-E175 WeakPolarHBondContact CB-OE2 3.1Å; S173-E175 PolarHBondContact O-N 2.93Å; S173-E175 PolarHBondContact OG-OE2 3.09Å; S173-I176 PolarHBondContact O-N 3.35Å; S173-I176 WeakPolarHBondContact OG-CG1 3.48Å; S173-E177 PolarHBondContact O-N 2.86Å
174E96.4Very high95.1Very high164 Ų16479.2 Ų79.277%0.76640%0.404SS*.Hα-helixtrans-55.7-38.8-177.4-66.2-175.2165.700112I176 E177 D178E174-I176 VanDerWaalsContact C-N 3.28Å; E174-I176 PolarHBondContact O-N 2.95Å; E174-E177 PolarHBondContact O-N 2.78Å; E174-D178 WeakPolarHBondContact O-CB 3.4Å; E174-D178 PolarHBondContact O-N 2.81Å
175E96Very high94.1Very high108 Ų10875.7 Ų75.751%0.50539%0.394SS..Hα-helixtrans-63.5-34.8178.4-51.695.3148.300112.3L33 S173 I179L33-E175 HydrophobicContact CD1-CB 4.18Å; L33-E175 HydrophobicContact CD2-CB 4.32Å; S173-E175 VanDerWaalsContact CB-OE2 3.24Å; S173-E175 WeakPolarHBondContact CB-OE2 3.1Å; S173-E175 PolarHBondContact O-N 2.93Å; S173-E175 PolarHBondContact OG-OE2 3.09Å; E175-I179 WeakPolarHBondContact O-CD1 3.38Å; E175-I179 VanDerWaalsContact O-CG1 3.25Å; E175-I179 WeakPolarHBondContact O-CG1 3.38Å; E175-I179 PolarHBondContact O-N 2.58Å
176I96.6Very high92.3Very high3 Ų380.7 Ų80.72%0.01541%0.412CS..Hα-helixtrans-77.3-40.5179.1-58.8-66.5000110.7L33 W64 I142 V172 S173 E174 D178 I179 I180L33-I176 HydrophobicContact CD1-CD1 3.92Å; W64-I176 HydrophobicContact CH2-CD1 3.99Å; W64-I176 HydrophobicContact CH2-CG1 4.37Å; W64-I176 HydrophobicContact CH2-CG2 3.99Å; W64-I176 HydrophobicContact CZ3-CG2 3.76Å; I142-I176 HydrophobicContact CD1-CG2 4.04Å; I142-I176 HydrophobicContact CG1-CG2 4.01Å; V172-I176 HydrophobicContact CB-CB 4.48Å; V172-I176 HydrophobicContact CB-CG2 4.46Å; V172-I176 HydrophobicContact CG2-CB 3.68Å; V172-I176 HydrophobicContact CG2-CG2 3.47Å; V172-I176 VanDerWaalsContact CG2-CG2 3.47Å; S173-I176 PolarHBondContact O-N 3.35Å; S173-I176 WeakPolarHBondContact OG-CG1 3.48Å; E174-I176 VanDerWaalsContact C-N 3.28Å; E174-I176 PolarHBondContact O-N 2.95Å; I176-D178 VanDerWaalsContact C-N 3.27Å; I176-D178 PolarHBondContact O-N 3.49Å; I176-I179 HydrophobicContact CD1-CD1 4.42Å; I176-I179 PolarHBondContact O-N 2.84Å; I176-I180 HydrophobicContact CG2-CD1 4.08Å; I176-I180 WeakPolarHBondContact O-CG1 3.27Å; I176-I180 PolarHBondContact O-N 2.95Å
177E96.7Very high90.3Very high50 Ų5083.3 Ų83.323%0.23443%0.43CS..Hα-helixtrans-59.6-41174.2-65.6-64.7170.300111.1K171 V172 S173 E174 I180 K181K171-E177 VanDerWaalsContact CA-OE1 3.28Å; K171-E177 WeakPolarHBondContact CA-OE1 3.47Å; K171-E177 HydrophobicContact CB-CG 4.48Å; V172-E177 HydrophobicContact CG2-CG 4.01Å; V172-E177 VanDerWaalsContact CG2-OE1 3.28Å; V172-E177 WeakPolarHBondContact CG2-OE1 3.44Å; V172-E177 PolarHBondContact N-OE1 3.17Å; S173-E177 PolarHBondContact O-N 2.86Å; E174-E177 PolarHBondContact O-N 2.78Å; E177-I180 PolarHBondContact O-N 3.28Å; E177-K181 WeakPolarHBondContact O-CB 3.48Å; E177-K181 PolarHBondContact O-N 2.78Å
178D96.6Very high87.8Confident91 Ų9186.6 Ų86.649%0.48745%0.446SS..Hα-helixtrans-64.1-41.7175.8-83.1-11.2000112.6E174 I176 K181 K182E174-D178 WeakPolarHBondContact O-CB 3.4Å; E174-D178 PolarHBondContact O-N 2.81Å; I176-D178 VanDerWaalsContact C-N 3.27Å; I176-D178 PolarHBondContact O-N 3.49Å; D178-K181 PolarHBondContact O-N 2.95Å; D178-K182 VanDerWaalsContact O-CG 3.29Å; D178-K182 WeakPolarHBondContact O-CG 3.37Å; D178-K182 PolarHBondContact O-N 2.9Å
179I96.5Very high87.3Confident9 Ų988 Ų885%0.04646%0.457CS..Hα-helixtrans-60.2-48.2174.3-72.3167.6000110.3L27 E29 L33 I142 M145 E175 I176 K181 K182 G183L27-I179 HydrophobicContact CD2-CG2 3.45Å; L27-I179 VanDerWaalsContact CD2-CG2 3.45Å; E29-I179 HydrophobicContact CB-CD1 4.18Å; E29-I179 HydrophobicContact CB-CG1 4.27Å; L33-I179 HydrophobicContact CD1-CD1 3.93Å; L33-I179 HydrophobicContact CD2-CD1 4.48Å; L33-I179 HydrophobicContact CG-CD1 4.28Å; I142-I179 HydrophobicContact CD1-CB 4.47Å; I142-I179 HydrophobicContact CD1-CG2 3.75Å; M145-I179 HydrophobicContact CE-CG2 4.14Å; E175-I179 WeakPolarHBondContact O-CD1 3.38Å; E175-I179 VanDerWaalsContact O-CG1 3.25Å; E175-I179 WeakPolarHBondContact O-CG1 3.38Å; E175-I179 PolarHBondContact O-N 2.58Å; I176-I179 HydrophobicContact CD1-CD1 4.42Å; I176-I179 PolarHBondContact O-N 2.84Å; I179-K181 PolarHBondContact O-N 2.66Å; I179-K182 PolarHBondContact O-N 3.33Å; I179-G183 PolarHBondContact O-N 2.96Å
180I95.8Very high86.9Confident15 Ų1585.3 Ų85.38%0.07744%0.436CS..Hα-helixtrans-59.2-48.8179.8-69.7169.3000110.3Q138 K141 I142 I176 E177 K182 G183 E184Q138-I180 HydrophobicContact CB-CD1 3.86Å; Q138-I180 HydrophobicContact CG-CD1 4.07Å; K141-I180 HydrophobicContact CG-CG1 4.35Å; K141-I180 HydrophobicContact CG-CG2 4.12Å; I142-I180 HydrophobicContact CD1-CD1 4.37Å; I142-I180 HydrophobicContact CD1-CG1 3.75Å; I142-I180 HydrophobicContact CG1-CD1 4.3Å; I142-I180 HydrophobicContact CG1-CG1 4.16Å; I176-I180 HydrophobicContact CG2-CD1 4.08Å; I176-I180 WeakPolarHBondContact O-CG1 3.27Å; I176-I180 PolarHBondContact O-N 2.95Å; E177-I180 PolarHBondContact O-N 3.28Å; I180-K182 PolarHBondContact O-N 3.44Å; I180-G183 PolarHBondContact O-N 3.39Å; I180-E184 WeakPolarHBondContact O-CG 3.43Å; I180-E184 PolarHBondContact O-N 2.89Å; I180-E184 VanDerWaalsContact O-N 3.11Å
181K95.1Very high86.3Confident143 Ų14388.3 Ų88.362%0.62244%0.443SS*.Hα-helixtrans-60.6-43.2-179.2-174.1179.4179.4-176.60112.3E177 D178 I179 E184 T185E177-K181 WeakPolarHBondContact O-CB 3.48Å; E177-K181 PolarHBondContact O-N 2.78Å; D178-K181 PolarHBondContact O-N 2.95Å; I179-K181 PolarHBondContact O-N 2.66Å; K181-E184 PolarHBondContact O-N 3.23Å; K181-T185 PolarHBondContact O-N 3.28Å
182K92.3Very high85.9Confident110 Ų11083.7 Ų83.748%0.47843%0.427SS..Hα-helixtrans-61.7-44.9176.2-73.5172.3-173.6173.50111.5D178 I179 I180 E184 T185 Q186D178-K182 VanDerWaalsContact O-CG 3.29Å; D178-K182 WeakPolarHBondContact O-CG 3.37Å; D178-K182 PolarHBondContact O-N 2.9Å; I179-K182 PolarHBondContact O-N 3.33Å; I180-K182 PolarHBondContact O-N 3.44Å; K182-E184 VanDerWaalsContact C-N 3.25Å; K182-E184 PolarHBondContact O-N 3.41Å; K182-T185 PolarHBondContact O-N 3.32Å; K182-T185 PolarHBondContact O-OG1 2.96Å; K182-Q186 PolarHBondContact O-N 3.23Å
183G85Confident85.3Confident16 Ų1688.1 Ų88.117%0.16545%0.448CS..Hα-helixtrans-60.3-33.8177.800000113.6I179 I180 T187I179-G183 PolarHBondContact O-N 2.96Å; I180-G183 PolarHBondContact O-N 3.39Å; G183-T187 PolarHBondContact O-OG1 3.04Å
184E81.9Confident84.6Confident95 Ų9590.7 Ų90.744%0.44446%0.456SS..Hα-helixtrans-70.6-40.2176.8-70.2-177.9159.200112.6K141 I180 K181 K182 Q186 T187K141-E184 IonicContact NZ-OE1 2.76Å; K141-E184 PolarHBondContact NZ-OE1 3.31Å; I180-E184 WeakPolarHBondContact O-CG 3.43Å; I180-E184 PolarHBondContact O-N 2.89Å; I180-E184 VanDerWaalsContact O-N 3.11Å; K181-E184 PolarHBondContact O-N 3.23Å; K182-E184 VanDerWaalsContact C-N 3.25Å; K182-E184 PolarHBondContact O-N 3.41Å; E184-Q186 PolarHBondContact O-N 2.73Å; E184-T187 PolarHBondContact O-N 3.07Å; E184-T187 VanDerWaalsContact O-N 3.14Å
185T76.6Confident83.7Confident92 Ų9285.5 Ų85.556%0.56443%0.433SS*.Hα-helixtrans-65.6-24.5178.558.10000114.1K181 K182 T187K181-T185 PolarHBondContact O-N 3.28Å; K182-T185 PolarHBondContact O-N 3.32Å; K182-T185 PolarHBondContact O-OG1 2.96Å; T185-T187 VanDerWaalsContact C-N 3.27Å; T185-T187 PolarHBondContact O-N 3.44Å
186Q60.9Low82.8Confident156 Ų15683.8 Ų83.873%0.72943%0.428SS*.THydrogen-bonded Turntrans-81.1-5.4177.2-66.2177.94.600113.5K182 E184K182-Q186 PolarHBondContact O-N 3.23Å; E184-Q186 PolarHBondContact O-N 2.73Å
187T56.2Low81.7Confident92 Ų9290.5 Ų90.556%0.56446%0.462SS*.THydrogen-bonded Turntrans-102.22.5-176.4-32.90000113.2G183 E184 T185G183-T187 PolarHBondContact O-OG1 3.04Å; E184-T187 PolarHBondContact O-N 3.07Å; E184-T187 VanDerWaalsContact O-N 3.14Å; T185-T187 VanDerWaalsContact C-N 3.27Å; T185-T187 PolarHBondContact O-N 3.44Å
188L46.2Very low80.3Confident217 Ų21794.2 Ų94.2100%1.13648%0.483SS*.  trans-104.70173.9-65.1175.3000110.5

Retrieved 188 of 188 residues in 132.2 ms (Link to these results)

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