A0A3Q0KS65_SCHMA Loading...

Nuclear cap-binding protein subunit 2

AlphaFold DB , UniProt , Accession A0A3Q0KS65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 158 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
1M37.7Very low48.9Very low234 Ų234130.2 Ų130.2100%1.15368%0.682SS**  0117.20-64.7-159.8179.700107.8R3M1-R3 PolarHBondContact O-N 3.2Å
2P48.3Very low50.9Low127 Ų127127 Ų12783%0.82567%0.666SS**  trans-66.4115.8170.2-3.720.1000106.3D4P2-D4 PolarHBondContact O-N 2.85Å
3R50.1Low53.1Low233 Ų233122.8 Ų122.888%0.87966%0.662SS**  trans-57.4127.7169-80.7-178.8177.6-169-0.9106.9M1 K5M1-R3 PolarHBondContact O-N 3.2Å; R3-K5 PolarHBondContact O-N 3.26Å
4D48.9Very low55.5Low115 Ų115117.7 Ų117.762%0.61564%0.64SS**  trans-50.9101.7-179.2-64.9-48.4000110.2P2 A6 V7 C8P2-D4 PolarHBondContact O-N 2.85Å; D4-A6 PolarHBondContact O-N 2.92Å; D4-A6 VanDerWaalsContact O-N 3.14Å; D4-V7 HydrophobicContact CB-CB 4.03Å; D4-V7 HydrophobicContact CB-CG2 3.56Å; D4-V7 PolarHBondContact O-N 3.14Å; D4-C8 PolarHBondContact O-N 3.17Å
5K52.8Low58Low149 Ų149113.3 Ų113.365%0.64861%0.612SS**Hα-helixtrans-50.5-39175.1-131.8-179.5179.8-1680109.7R3 V7 C8 D9R3-K5 PolarHBondContact O-N 3.26Å; K5-V7 PolarHBondContact O-N 2.92Å; K5-C8 PolarHBondContact O-N 3.21Å; K5-D9 WeakPolarHBondContact O-CB 3.46Å; K5-D9 PolarHBondContact O-N 3.32Å; K5-D9 VanDerWaalsContact O-OD2 3.12Å
6A49Very low60.2Low64 Ų64108.9 Ų108.953%0.52958%0.584SS.*Hα-helixtrans-59.8-34.1176.400000114.9D4 I10D4-A6 PolarHBondContact O-N 2.92Å; D4-A6 VanDerWaalsContact O-N 3.14Å; A6-I10 WeakPolarHBondContact O-CG1 3.31Å; A6-I10 PolarHBondContact O-N 3.39Å
7V47.3Very low62.1Low85 Ų85111.2 Ų111.252%0.51559%0.588SS.*Hα-helixtrans-75.7-37.1178.8179.10000110.2D4 K5 L11D4-V7 HydrophobicContact CB-CB 4.03Å; D4-V7 HydrophobicContact CB-CG2 3.56Å; D4-V7 PolarHBondContact O-N 3.14Å; K5-V7 PolarHBondContact O-N 2.92Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.27Å
8C49.2Very low63.8Low81 Ų81106.4 Ų106.455%0.54757%0.565SS.*Hα-helixtrans-67.2-36.4171.4-81.40000112.4D4 K5 L11D4-C8 PolarHBondContact O-N 3.17Å; K5-C8 PolarHBondContact O-N 3.21Å; C8-L11 WeakPolarHBondContact O-CB 3.32Å; C8-L11 PolarHBondContact O-N 3.46Å; C8-L11 VanDerWaalsContact O-N 3.16Å
9D49.4Very low65.3Low79 Ų79106.7 Ų106.742%0.42257%0.574SS.*Hα-helixtrans-76.7-22.6-176.1-65.4-23.7000113.5K5K5-D9 WeakPolarHBondContact O-CB 3.46Å; K5-D9 PolarHBondContact O-N 3.32Å; K5-D9 VanDerWaalsContact O-OD2 3.12Å
10I53.5Low66.7Low141 Ų141103.8 Ų103.872%0.72355%0.554SS**Hα-helixtrans-72.7-20.9169.4-71.5167.8000111.3A6 D12A6-I10 WeakPolarHBondContact O-CG1 3.31Å; A6-I10 PolarHBondContact O-N 3.39Å; I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 2.9Å
11L52.4Low67.8Low124 Ų124105.4 Ų105.465%0.64955%0.553SS**SBendtrans-78.790.1-176.8-62.5173.2000110.4V7 C8V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.27Å; C8-L11 WeakPolarHBondContact O-CB 3.32Å; C8-L11 PolarHBondContact O-N 3.46Å; C8-L11 VanDerWaalsContact O-N 3.16Å
12D72.1Confident70.5Confident92 Ų9295 Ų9549%0.49250%0.502SS..  trans91.888.9158.3-158.59.5000116.1I10 S14 F15I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 2.9Å; D12-S14 VanDerWaalsContact CG-CB 3.49Å; D12-S14 PolarHBondContact O-N 3.5Å; D12-S14 WeakPolarHBondContact OD1-CA 3.45Å; D12-S14 WeakPolarHBondContact OD1-CB 3.22Å; D12-S14 PolarHBondContact OD1-N 3.45Å; D12-S14 PolarHBondContact OD1-OG 2.91Å; D12-S14 VanDerWaalsContact OD1-OG 3.04Å; D12-S14 WeakPolarHBondContact OD2-CB 3.47Å; D12-S14 PolarHBondContact OD2-OG 3.3Å; D12-F15 VanDerWaalsContact O-CB 3.24Å; D12-F15 WeakPolarHBondContact O-CB 3.38Å; D12-F15 PolarHBondContact O-N 3.36Å
13A79.1Confident72.5Confident73 Ų7399.6 Ų99.660%0.60350%0.503SS*.THydrogen-bonded Turntrans-52.9-16.5164.400000113.2F15 Y16A13-F15 VanDerWaalsContact C-N 3.27Å; A13-Y16 PolarHBondContact O-N 3.47Å
14S87.3Confident74.5Confident51 Ų5197.2 Ų97.236%0.35749%0.494SS..THydrogen-bonded Turntrans-67.4-24.8170.7103.40000113.6D12 Y16 K17D12-S14 VanDerWaalsContact CG-CB 3.49Å; D12-S14 PolarHBondContact O-N 3.5Å; D12-S14 WeakPolarHBondContact OD1-CA 3.45Å; D12-S14 WeakPolarHBondContact OD1-CB 3.22Å; D12-S14 PolarHBondContact OD1-N 3.45Å; D12-S14 PolarHBondContact OD1-OG 2.91Å; D12-S14 VanDerWaalsContact OD1-OG 3.04Å; D12-S14 WeakPolarHBondContact OD2-CB 3.47Å; D12-S14 PolarHBondContact OD2-OG 3.3Å; S14-Y16 PolarHBondContact O-N 3.35Å; S14-K17 WeakPolarHBondContact O-CB 3.43Å; S14-K17 PolarHBondContact O-N 3.03Å
15F92.4Very high76.4Confident51 Ų5193 Ų9322%0.22447%0.471CS..THydrogen-bonded Turntrans-58.5-34174.9179.9-110.1000111.9D12 A13 E95 M98 R99 W115D12-F15 VanDerWaalsContact O-CB 3.24Å; D12-F15 WeakPolarHBondContact O-CB 3.38Å; D12-F15 PolarHBondContact O-N 3.36Å; A13-F15 VanDerWaalsContact C-N 3.27Å; F15-E95 HydrophobicContact CE1-CG 4.23Å; F15-M98 HydrophobicContact CE2-CB 4.13Å; F15-M98 HydrophobicContact CZ-CB 3.8Å; F15-R99 HydrophobicContact CE2-CG 3.81Å; F15-R99 HydrophobicContact CZ-CG 3.71Å; F15-W115 HydrophobicContact CD1-CZ2 4.42Å; F15-W115 AromaticContact CE1-CZ2 3.69Å; F15-W115 HydrophobicContact CE1-CZ2 3.69Å; F15-W115 AromaticContact CZ-CZ2 4Å; F15-W115 HydrophobicContact CZ-CZ2 4Å; F15-W115 PolarHBondContact O-NE1 2.88Å
16Y93.4Very high78.2Confident43 Ų4392.9 Ų92.917%0.16948%0.477CS..THydrogen-bonded Turntrans-90.34177.1-54.6-57.6000113.9A13 S14 R37 E95 W115A13-Y16 PolarHBondContact O-N 3.47Å; S14-Y16 PolarHBondContact O-N 3.35Å; Y16-R37 HydrophobicContact CD2-CG 3.97Å; Y16-R37 HydrophobicContact CG-CG 3.95Å; Y16-E95 PolarHBondContact OH-OE1 2.88Å; Y16-W115 HydrophobicContact CD1-CZ2 4.08Å; Y16-W115 HydrophobicContact CE1-CZ2 4.24Å
17K92.6Very high80.2Confident148 Ų14892.5 Ų92.564%0.64346%0.464SS*.  trans-80.2144.2170.3-66.5178-172.3174.90109.3S14S14-K17 WeakPolarHBondContact O-CB 3.43Å; S14-K17 PolarHBondContact O-N 3.03Å
18S93.3Very high82.5Confident25 Ų2590.6 Ų90.618%0.17546%0.455CS..  trans-122.9124.3177.4-169.30000109.3Y20 D114 W115S18-Y20 WeakPolarHBondContact CB-O 3.39Å; S18-Y20 PolarHBondContact OG-N 3.02Å; S18-Y20 PolarHBondContact OG-O 2.84Å; S18-D114 WeakPolarHBondContact OG-CB 3.43Å; S18-W115 WeakPolarHBondContact CB-O 3.49Å; S18-W115 PolarHBondContact OG-O 3.39Å
19P91.8Very high84.5Confident113 Ų11392.1 Ų92.173%0.73446%0.463SS*.SBendtrans-71.5-20.1167.931.3-34.4000111.3D114P19-D114 VanDerWaalsContact CD-OD1 3.3Å; P19-D114 WeakPolarHBondContact CD-OD1 3.24Å; P19-D114 VanDerWaalsContact CG-OD1 3.25Å; P19-D114 WeakPolarHBondContact CG-OD1 3.23Å
20Y93.6Very high86.5Confident47 Ų4798 Ų9818%0.18448%0.479CS..  trans-77.4132.4169.5177.1-94000109.9S18 Y43 D114 D116 R123S18-Y20 WeakPolarHBondContact CB-O 3.39Å; S18-Y20 PolarHBondContact OG-N 3.02Å; S18-Y20 PolarHBondContact OG-O 2.84Å; Y20-Y43 HydrophobicContact CD1-CD1 4.3Å; Y20-Y43 HydrophobicContact CD1-CD2 4.34Å; Y20-Y43 AromaticContact CD1-CG 3.87Å; Y20-Y43 HydrophobicContact CD1-CG 3.87Å; Y20-Y43 AromaticContact CD2-CD1 3.57Å; Y20-Y43 HydrophobicContact CD2-CD1 3.57Å; Y20-Y43 AromaticContact CD2-CD2 3.93Å; Y20-Y43 HydrophobicContact CD2-CD2 3.93Å; Y20-Y43 AromaticContact CD2-CE1 3.66Å; Y20-Y43 HydrophobicContact CD2-CE1 3.66Å; Y20-Y43 AromaticContact CD2-CE2 3.98Å; Y20-Y43 HydrophobicContact CD2-CE2 3.98Å; Y20-Y43 AromaticContact CD2-CG 3.71Å; Y20-Y43 HydrophobicContact CD2-CG 3.71Å; Y20-Y43 AromaticContact CD2-CZ 3.84Å; Y20-Y43 AromaticContact CE1-CD2 3.86Å; Y20-Y43 HydrophobicContact CE1-CD2 3.86Å; Y20-Y43 AromaticContact CE1-CG 3.84Å; Y20-Y43 HydrophobicContact CE1-CG 3.84Å; Y20-Y43 AromaticContact CE2-CD1 3.91Å; Y20-Y43 HydrophobicContact CE2-CD1 3.91Å; Y20-Y43 AromaticContact CE2-CD2 3.37Å; Y20-Y43 HydrophobicContact CE2-CD2 3.37Å; Y20-Y43 AromaticContact CE2-CE1 3.91Å; Y20-Y43 HydrophobicContact CE2-CE1 3.91Å; Y20-Y43 AromaticContact CE2-CE2 3.32Å; Y20-Y43 HydrophobicContact CE2-CE2 3.32Å; Y20-Y43 AromaticContact CE2-CG 3.65Å; Y20-Y43 HydrophobicContact CE2-CG 3.65Å; Y20-Y43 AromaticContact CE2-CZ 3.6Å; Y20-Y43 AromaticContact CG-CD1 3.77Å; Y20-Y43 HydrophobicContact CG-CD1 3.77Å; Y20-Y43 HydrophobicContact CG-CD2 4.37Å; Y20-Y43 HydrophobicContact CG-CE1 4.32Å; Y20-Y43 AromaticContact CG-CG 3.8Å; Y20-Y43 HydrophobicContact CG-CG 3.8Å; Y20-Y43 AromaticContact CZ-CD2 3.32Å; Y20-Y43 AromaticContact CZ-CE2 3.7Å; Y20-Y43 AromaticContact CZ-CG 3.71Å; Y20-D114 HydrophobicContact CG-CB 4.45Å; Y20-D116 VanDerWaalsContact CE1-OD2 3.29Å; Y20-D116 WeakPolarHBondContact CE1-OD2 3.24Å; Y20-R123 PolarHBondContact OH-NH2 3.22Å
21R90.3Very high88.5Confident138 Ų13895.9 Ų95.952%0.52147%0.467SS..  trans-140.7128.4172.5-176.7178.6177-160.21.1109.2R23 L32R21-R23 PolarHBondContact O-N 3.38Å; R21-L32 HydrophobicContact CG-CD2 4.24Å
22D93.1Very high90.5Very high15 Ų1591.6 Ų91.68%0.0844%0.444CS..  trans-67115.6165-169.5-26.9000109.2R24 N25 R123 R127D22-R24 PolarHBondContact O-N 3.31Å; D22-R24 WeakPolarHBondContact OD1-CB 3.41Å; D22-R24 PolarHBondContact OD1-N 3.42Å; D22-N25 HydrophobicContact CB-CB 4.07Å; D22-N25 PolarHBondContact O-N 3.35Å; D22-R123 IonicContact OD2-CZ 3.92Å; D22-R123 IonicContact OD2-NE 3.69Å; D22-R123 PolarHBondContact OD2-NE 3.39Å; D22-R123 IonicContact OD2-NH2 2.7Å; D22-R123 PolarHBondContact OD2-NH2 3.34Å; D22-R127 IonicContact OD1-CZ 2.67Å; D22-R127 IonicContact OD1-NH1 3.94Å; D22-R127 PolarHBondContact OD1-NH1 3.3Å; D22-R127 IonicContact OD1-NH2 3.79Å; D22-R127 PolarHBondContact OD1-NH2 2.63Å; D22-R127 IonicContact OD2-CZ 3.04Å; D22-R127 IonicContact OD2-NH1 3.56Å; D22-R127 PolarHBondContact OD2-NH1 2.84Å; D22-R127 IonicContact OD2-NH2 3.92Å; D22-R127 PolarHBondContact OD2-NH2 2.92Å
23R91.4Very high91.5Very high225 Ų22589.6 Ų89.685%0.84944%0.438SS*.THydrogen-bonded Turntrans-70.5-14.3178.5-65.1-175-178.8-179-0.8114.6R21R21-R23 PolarHBondContact O-N 3.38Å
24R91.4Very high92.2Very high183 Ų18390.4 Ų90.469%0.69143%0.429SS*.THydrogen-bonded Turntrans-90.8-18.1176-70.1-171.6-179.1-177.8-2112.7D22 D26D22-R24 PolarHBondContact O-N 3.31Å; D22-R24 WeakPolarHBondContact OD1-CB 3.41Å; D22-R24 PolarHBondContact OD1-N 3.42Å; R24-D26 PolarHBondContact O-N 2.91Å
25N88.7Confident92.6Very high25 Ų2589.8 Ų89.813%0.13442%0.424CS..  trans-74.7124.2171.8-179.9-63000108.5D22 F27D22-N25 HydrophobicContact CB-CB 4.07Å; D22-N25 PolarHBondContact O-N 3.35Å; N25-F27 VanDerWaalsContact ND2-CD2 3.25Å; N25-F27 WeakPolarHBondContact ND2-CD2 3.39Å; N25-F27 WeakPolarHBondContact ND2-CE2 3.21Å; N25-F27 VanDerWaalsContact ND2-CZ 3.27Å; N25-F27 WeakPolarHBondContact ND2-CZ 3.5Å; N25-F27 WeakPolarHBondContact OD1-CB 3.43Å; N25-F27 WeakPolarHBondContact OD1-CD1 3.47Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.24Å; N25-F27 WeakPolarHBondContact OD1-CG 3.33Å; N25-F27 PolarHBondContact OD1-N 2.87Å
26D90.4Very high92.8Very high147 Ų14787.9 Ų87.979%0.78642%0.416SS*.  trans-96.912.5-174.262.3-19.1000113.4R24 S28R24-D26 PolarHBondContact O-N 2.91Å; D26-S28 PolarHBondContact O-N 3.16Å
27F92.4Very high92.8Very high57 Ų5791.6 Ų91.625%0.2543%0.43CS..  trans-55136.7175.6-64.9-11.2000111.3N25 E31 L32 C35 A117N25-F27 VanDerWaalsContact ND2-CD2 3.25Å; N25-F27 WeakPolarHBondContact ND2-CD2 3.39Å; N25-F27 WeakPolarHBondContact ND2-CE2 3.21Å; N25-F27 VanDerWaalsContact ND2-CZ 3.27Å; N25-F27 WeakPolarHBondContact ND2-CZ 3.5Å; N25-F27 WeakPolarHBondContact OD1-CB 3.43Å; N25-F27 WeakPolarHBondContact OD1-CD1 3.47Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.24Å; N25-F27 WeakPolarHBondContact OD1-CG 3.33Å; N25-F27 PolarHBondContact OD1-N 2.87Å; F27-E31 HydrophobicContact CB-CB 3.91Å; F27-E31 HydrophobicContact CG-CB 4.23Å; F27-L32 HydrophobicContact CB-CB 4.12Å; F27-C35 HydrophobicContact CE2-CB 4.32Å; F27-C35 VanDerWaalsContact CE2-SG 3.58Å; F27-A117 HydrophobicContact CD2-CB 4.3Å; F27-A117 HydrophobicContact CE2-CB 3.94Å
28S94.2Very high93Very high45 Ų4590.6 Ų90.632%0.31543%0.427SS..  trans-58.8157.7165.568.90000110.2D26 R30 E31 L32D26-S28 PolarHBondContact O-N 3.16Å; S28-R30 PolarHBondContact O-N 3.31Å; S28-E31 WeakPolarHBondContact CB-OE2 3.22Å; S28-E31 PolarHBondContact N-OE2 3.29Å; S28-E31 PolarHBondContact O-N 3.36Å; S28-E31 VanDerWaalsContact O-N 3.15Å; S28-E31 VanDerWaalsContact OG-CD 3.25Å; S28-E31 WeakPolarHBondContact OG-CG 3.49Å; S28-E31 PolarHBondContact OG-N 3.31Å; S28-E31 PolarHBondContact OG-OE2 2.93Å; S28-L32 WeakPolarHBondContact O-CB 3.36Å; S28-L32 PolarHBondContact O-N 3.12Å
29P91.5Very high93.2Very high112 Ų11290.2 Ų90.273%0.72742%0.424SS*.Hα-helixtrans-53.9-31.5176.6-27.935.7000113.7S33P29-S33 VanDerWaalsContact O-CB 3.27Å; P29-S33 WeakPolarHBondContact O-CB 3.4Å; P29-S33 PolarHBondContact O-N 3.07Å
30R92.8Very high93.5Very high202 Ų20286.3 Ų86.376%0.76240%0.398SS*.Hα-helixtrans-72.4-48.6178.4-175.8-179.3177.6-169.9-0.7111.7S28 S33 Q34S28-R30 PolarHBondContact O-N 3.31Å; R30-S33 PolarHBondContact O-N 2.86Å; R30-Q34 PolarHBondContact O-N 3.26Å
31E94.5Very high93.7Very high98 Ų9884.3 Ų84.346%0.45839%0.391SS..Hα-helixtrans-61.2-47176.9-72.5159.7146.300110.4F27 S28 S33 Q34 C35F27-E31 HydrophobicContact CB-CB 3.91Å; F27-E31 HydrophobicContact CG-CB 4.23Å; S28-E31 WeakPolarHBondContact CB-OE2 3.22Å; S28-E31 PolarHBondContact N-OE2 3.29Å; S28-E31 PolarHBondContact O-N 3.36Å; S28-E31 VanDerWaalsContact O-N 3.15Å; S28-E31 VanDerWaalsContact OG-CD 3.25Å; S28-E31 WeakPolarHBondContact OG-CG 3.49Å; S28-E31 PolarHBondContact OG-N 3.31Å; S28-E31 PolarHBondContact OG-OE2 2.93Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 3.5Å; E31-Q34 WeakPolarHBondContact O-CB 3.21Å; E31-Q34 PolarHBondContact O-N 2.96Å; E31-C35 PolarHBondContact O-N 3.38Å; E31-C35 PolarHBondContact O-SG 3.04Å
32L94.1Very high94.1Very high34 Ų3477.8 Ų77.818%0.17837%0.366CS..Hα-helixtrans-57.4-48.7176.1-179.361.6000111.1R21 F27 S28 Q34 C35 L36 A117R21-L32 HydrophobicContact CG-CD2 4.24Å; F27-L32 HydrophobicContact CB-CB 4.12Å; S28-L32 WeakPolarHBondContact O-CB 3.36Å; S28-L32 PolarHBondContact O-N 3.12Å; L32-Q34 PolarHBondContact O-N 2.9Å; L32-C35 PolarHBondContact O-N 2.94Å; L32-L36 HydrophobicContact CD1-CD1 4.13Å; L32-L36 HydrophobicContact CD1-CD2 4.27Å; L32-L36 HydrophobicContact CD1-CG 4.02Å; L32-L36 HydrophobicContact CG-CD1 4.02Å; L32-L36 HydrophobicContact CG-CG 4.3Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 3.26Å; L32-A117 HydrophobicContact CD1-CB 4.07Å
33S93.1Very high94.4Very high50 Ų5077.6 Ų77.635%0.3536%0.364SS..Hα-helixtrans-60.3-34.7177.8178.90000112.7P29 R30 E31 R37P29-S33 VanDerWaalsContact O-CB 3.27Å; P29-S33 WeakPolarHBondContact O-CB 3.4Å; P29-S33 PolarHBondContact O-N 3.07Å; R30-S33 PolarHBondContact O-N 2.86Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 3.5Å; S33-R37 WeakPolarHBondContact O-CG 3.35Å; S33-R37 PolarHBondContact O-N 2.97Å; S33-R37 PolarHBondContact O-NE 3.11Å
34Q94.2Very high94.7Very high90 Ų9066.9 Ų66.942%0.42132%0.324SS..Hα-helixtrans-68.8-51.6174.5-175.6172.7-1.200111.3R30 E31 L32 L36 R37 E38R30-Q34 PolarHBondContact O-N 3.26Å; E31-Q34 WeakPolarHBondContact O-CB 3.21Å; E31-Q34 PolarHBondContact O-N 2.96Å; L32-Q34 PolarHBondContact O-N 2.9Å; Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 3.46Å; Q34-R37 WeakPolarHBondContact O-CB 3.32Å; Q34-R37 PolarHBondContact O-N 3.06Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.32Å; Q34-E38 PolarHBondContact NE2-OE1 3.03Å; Q34-E38 PolarHBondContact O-N 3.07Å
35C95.4Very high95.1Very high37 Ų3758.1 Ų58.125%0.2529%0.291CS..Hα-helixtrans-55.5-43.5178-63.70000111.9F27 E31 L32 R37 E38 T39 A117F27-C35 HydrophobicContact CE2-CB 4.32Å; F27-C35 VanDerWaalsContact CE2-SG 3.58Å; E31-C35 PolarHBondContact O-N 3.38Å; E31-C35 PolarHBondContact O-SG 3.04Å; L32-C35 PolarHBondContact O-N 2.94Å; C35-R37 VanDerWaalsContact C-N 3.26Å; C35-R37 PolarHBondContact O-N 3.27Å; C35-E38 PolarHBondContact O-N 3.48Å; C35-E38 VanDerWaalsContact O-N 3.13Å; C35-T39 VanDerWaalsContact O-CB 3.22Å; C35-T39 WeakPolarHBondContact O-CB 3.34Å; C35-T39 WeakPolarHBondContact O-CG2 3.27Å; C35-T39 PolarHBondContact O-N 3.09Å; C35-A117 HydrophobicContact CB-CB 3.98Å
36L96.1Very high95.5Very high12 Ų1259.4 Ų59.46%0.06330%0.298CS..Hα-helixtrans-65.7-26.4179.5-63.5179.1000113.6L32 Q34 R91 W115L32-L36 HydrophobicContact CD1-CD1 4.13Å; L32-L36 HydrophobicContact CD1-CD2 4.27Å; L32-L36 HydrophobicContact CD1-CG 4.02Å; L32-L36 HydrophobicContact CG-CD1 4.02Å; L32-L36 HydrophobicContact CG-CG 4.3Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 3.26Å; Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 3.46Å; L36-R91 PolarHBondContact O-NH1 3.09Å; L36-R91 PolarHBondContact O-NH2 3.03Å; L36-R91 VanDerWaalsContact O-NH2 3.07Å; L36-W115 HydrophobicContact CB-CB 4.31Å; L36-W115 HydrophobicContact CD2-CB 3.76Å; L36-W115 HydrophobicContact CG-CB 4.47Å
37R94.9Very high95.8Very high120 Ų12052.5 Ų52.545%0.45326%0.261SS..Hα-helixtrans-76.6-23.4174.6-75.9-177.6-66.1-138.8-2.6113.4Y16 S33 Q34 C35 R91Y16-R37 HydrophobicContact CD2-CG 3.97Å; Y16-R37 HydrophobicContact CG-CG 3.95Å; S33-R37 WeakPolarHBondContact O-CG 3.35Å; S33-R37 PolarHBondContact O-N 2.97Å; S33-R37 PolarHBondContact O-NE 3.11Å; Q34-R37 WeakPolarHBondContact O-CB 3.32Å; Q34-R37 PolarHBondContact O-N 3.06Å; C35-R37 VanDerWaalsContact C-N 3.26Å; C35-R37 PolarHBondContact O-N 3.27Å; R37-R91 PolarHBondContact O-NE 2.86Å; R37-R91 PolarHBondContact O-NH2 3.29Å; R37-R91 VanDerWaalsContact O-NH2 3.11Å
38E95.4Very high96.1Very high127 Ų12750 Ų5059%0.59325%0.25SS*.Hα-helixtrans-111.7-23-171.5-65.6171.5-166.500113.3Q34 C35Q34-E38 WeakPolarHBondContact CG-OE1 3.32Å; Q34-E38 PolarHBondContact NE2-OE1 3.03Å; Q34-E38 PolarHBondContact O-N 3.07Å; C35-E38 PolarHBondContact O-N 3.48Å; C35-E38 VanDerWaalsContact O-N 3.13Å
39T97.4Very high96.2Very high17 Ų1750.6 Ų50.610%0.10425%0.248CC..  trans-57.9151.3-176.2-175.50000114.2C35 T41 R91 W115 D116C35-T39 VanDerWaalsContact O-CB 3.22Å; C35-T39 WeakPolarHBondContact O-CB 3.34Å; C35-T39 WeakPolarHBondContact O-CG2 3.27Å; C35-T39 PolarHBondContact O-N 3.09Å; T39-T41 PolarHBondContact OG1-N 2.87Å; T39-R91 WeakPolarHBondContact O-CD 3.29Å; T39-R91 PolarHBondContact O-NH1 2.8Å; T39-W115 HydrophobicContact CG2-CE3 4Å; T39-D116 WeakPolarHBondContact CB-O 3.45Å; T39-D116 WeakPolarHBondContact CG2-O 3.42Å; T39-D116 PolarHBondContact OG1-O 2.96Å
40T98.4Very high96.4Very high32 Ų3253.3 Ų53.320%0.19625%0.245CC..  trans-106.97.3165.862.80000112.5E87 Y88 R91T40-E87 WeakPolarHBondContact O-CA 3.23Å; T40-E87 WeakPolarHBondContact OG1-CG 3.47Å; T40-Y88 VanDerWaalsContact CB-O 3.23Å; T40-Y88 WeakPolarHBondContact CB-O 3.45Å; T40-Y88 PolarHBondContact O-N 3.4Å; T40-Y88 PolarHBondContact OG1-O 3.43Å; T40-R91 HydrophobicContact CG2-CB 4.47Å
41T98.5Very high96.6Very high5 Ų543.8 Ų43.83%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-97.7132.2-176.6-53.20000110.9T39 F85 V86 D116 F119T39-T41 PolarHBondContact OG1-N 2.87Å; T41-F85 HydrophobicContact CG2-CB 4.45Å; T41-F85 HydrophobicContact CG2-CD1 4.39Å; T41-V86 WeakPolarHBondContact CA-O 3.43Å; T41-D116 HydrophobicContact CG2-CB 4.03Å; T41-D116 PolarHBondContact O-N 2.73Å; T41-D116 VanDerWaalsContact O-N 3.09Å; T41-F119 HydrophobicContact CG2-CB 4.31Å
42L98.8Very high96.8Very high0 Ų047.5 Ų47.50%022%0.218CC..EExtended strand (participates in β ladder)trans-114.7141.1171.9-59.1-177.7000110I44 F85 V86 Y88 A94 A97 M98 D114 W115L42-I44 HydrophobicContact CB-CD1 3.79Å; L42-I44 VanDerWaalsContact O-CD1 3.3Å; L42-I44 WeakPolarHBondContact O-CD1 3.49Å; L42-F85 VanDerWaalsContact O-CA 3.27Å; L42-F85 WeakPolarHBondContact O-CA 3.37Å; L42-V86 PolarHBondContact N-O 2.97Å; L42-V86 PolarHBondContact O-N 2.79Å; L42-Y88 HydrophobicContact CD1-CE2 4.09Å; L42-A94 HydrophobicContact CD1-CB 4.45Å; L42-A94 HydrophobicContact CD2-CB 4.35Å; L42-A94 HydrophobicContact CG-CB 4.31Å; L42-A97 HydrophobicContact CD1-CB 3.75Å; L42-M98 HydrophobicContact CD1-CG 4.11Å; L42-M98 HydrophobicContact CD1-SD 4.42Å; L42-M98 HydrophobicContact CD2-CG 3.66Å; L42-M98 HydrophobicContact CD2-SD 3.86Å; L42-D114 WeakPolarHBondContact CA-O 3.28Å; L42-W115 HydrophobicContact CD2-CD2 4.03Å; L42-W115 HydrophobicContact CD2-CE3 3.37Å; L42-W115 HydrophobicContact CD2-CH2 4.42Å; L42-W115 HydrophobicContact CD2-CZ3 3.6Å
43Y98.6Very high97Very high11 Ų1149.8 Ų49.84%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-88.2130.6161.4170.9-88.1000109.2Y20 F83 F85 T113 D114 Q133Y20-Y43 HydrophobicContact CD1-CD1 4.3Å; Y20-Y43 HydrophobicContact CD1-CD2 4.34Å; Y20-Y43 AromaticContact CD1-CG 3.87Å; Y20-Y43 HydrophobicContact CD1-CG 3.87Å; Y20-Y43 AromaticContact CD2-CD1 3.57Å; Y20-Y43 HydrophobicContact CD2-CD1 3.57Å; Y20-Y43 AromaticContact CD2-CD2 3.93Å; Y20-Y43 HydrophobicContact CD2-CD2 3.93Å; Y20-Y43 AromaticContact CD2-CE1 3.66Å; Y20-Y43 HydrophobicContact CD2-CE1 3.66Å; Y20-Y43 AromaticContact CD2-CE2 3.98Å; Y20-Y43 HydrophobicContact CD2-CE2 3.98Å; Y20-Y43 AromaticContact CD2-CG 3.71Å; Y20-Y43 HydrophobicContact CD2-CG 3.71Å; Y20-Y43 AromaticContact CD2-CZ 3.84Å; Y20-Y43 AromaticContact CE1-CD2 3.86Å; Y20-Y43 HydrophobicContact CE1-CD2 3.86Å; Y20-Y43 AromaticContact CE1-CG 3.84Å; Y20-Y43 HydrophobicContact CE1-CG 3.84Å; Y20-Y43 AromaticContact CE2-CD1 3.91Å; Y20-Y43 HydrophobicContact CE2-CD1 3.91Å; Y20-Y43 AromaticContact CE2-CD2 3.37Å; Y20-Y43 HydrophobicContact CE2-CD2 3.37Å; Y20-Y43 AromaticContact CE2-CE1 3.91Å; Y20-Y43 HydrophobicContact CE2-CE1 3.91Å; Y20-Y43 AromaticContact CE2-CE2 3.32Å; Y20-Y43 HydrophobicContact CE2-CE2 3.32Å; Y20-Y43 AromaticContact CE2-CG 3.65Å; Y20-Y43 HydrophobicContact CE2-CG 3.65Å; Y20-Y43 AromaticContact CE2-CZ 3.6Å; Y20-Y43 AromaticContact CG-CD1 3.77Å; Y20-Y43 HydrophobicContact CG-CD1 3.77Å; Y20-Y43 HydrophobicContact CG-CD2 4.37Å; Y20-Y43 HydrophobicContact CG-CE1 4.32Å; Y20-Y43 AromaticContact CG-CG 3.8Å; Y20-Y43 HydrophobicContact CG-CG 3.8Å; Y20-Y43 AromaticContact CZ-CD2 3.32Å; Y20-Y43 AromaticContact CZ-CE2 3.7Å; Y20-Y43 AromaticContact CZ-CG 3.71Å; Y43-F83 HydrophobicContact CD2-CD2 4.08Å; Y43-F83 HydrophobicContact CE2-CB 3.86Å; Y43-F83 AromaticContact CE2-CD2 3.43Å; Y43-F83 HydrophobicContact CE2-CD2 3.43Å; Y43-F83 VanDerWaalsContact CE2-CD2 3.43Å; Y43-F83 HydrophobicContact CE2-CE2 4.21Å; Y43-F83 AromaticContact CE2-CG 3.89Å; Y43-F83 HydrophobicContact CE2-CG 3.89Å; Y43-F85 HydrophobicContact CD2-CD1 4.41Å; Y43-F85 AromaticContact CD2-CE1 3.86Å; Y43-F85 HydrophobicContact CD2-CE1 3.86Å; Y43-F85 HydrophobicContact CD2-CZ 4.26Å; Y43-T113 CarbonylContact O-C 3.45Å; Y43-T113 WeakPolarHBondContact O-CA 3.4Å; Y43-D114 HydrophobicContact CD1-CB 4.34Å; Y43-D114 PolarHBondContact N-O 3.3Å; Y43-D114 PolarHBondContact O-N 3.46Å; Y43-Q133 PolarHBondContact OH-NE2 2.76Å
44I98.7Very high97.3Very high0 Ų053.7 Ų53.70%024%0.241CC..EExtended strand (participates in β ladder)trans-116122177.1-60.965.2000108L42 L47 F60 F83 C84 V86 R112 T113L42-I44 HydrophobicContact CB-CD1 3.79Å; L42-I44 VanDerWaalsContact O-CD1 3.3Å; L42-I44 WeakPolarHBondContact O-CD1 3.49Å; I44-L47 HydrophobicContact CG2-CD1 4.18Å; I44-L47 HydrophobicContact CG2-CD2 3.68Å; I44-L47 HydrophobicContact CG2-CG 4.03Å; I44-F60 HydrophobicContact CB-CZ 4.44Å; I44-F60 HydrophobicContact CD1-CE1 4.06Å; I44-F60 HydrophobicContact CD1-CZ 4.23Å; I44-F60 HydrophobicContact CG1-CE1 3.67Å; I44-F60 HydrophobicContact CG1-CE2 4.15Å; I44-F60 HydrophobicContact CG1-CZ 3.35Å; I44-F60 HydrophobicContact CG2-CZ 4.15Å; I44-F83 CarbonylContact O-C 3.53Å; I44-F83 WeakPolarHBondContact O-CA 3.37Å; I44-F83 WeakPolarHBondContact O-CB 3.48Å; I44-C84 PolarHBondContact N-O 3.26Å; I44-C84 PolarHBondContact O-N 3.2Å; I44-V86 HydrophobicContact CD1-CB 3.87Å; I44-V86 HydrophobicContact CD1-CG2 3.63Å; I44-V86 HydrophobicContact CG1-CG2 4.28Å; I44-R112 CarbonylContact C-O 3.58Å; I44-R112 VanDerWaalsContact CA-O 3.31Å; I44-R112 WeakPolarHBondContact CA-O 3.49Å; I44-T113 HydrophobicContact CG1-CG2 4.25Å
45G98Very high97.4Very high0 Ų052 Ų520%023%0.233CC..EExtended strand (participates in β ladder)trans-122.5173.1178.300000113.3L47 R112G45-L47 VanDerWaalsContact C-N 3.3Å; G45-R112 PolarHBondContact N-O 3.41Å; G45-R112 PolarHBondContact O-N 3.43Å
46N97.2Very high97.6Very high51 Ų5150.2 Ų50.227%0.27322%0.221SC..SBendtrans66.624.9-177.3-160.242000114.8G82 R109 I110 R146N46-G82 PolarHBondContact N-O 3.35Å; N46-R109 WeakPolarHBondContact O-CD 3.06Å; N46-R109 PolarHBondContact O-NE 2.77Å; N46-R109 PolarHBondContact OD1-NH2 3.37Å; N46-I110 PolarHBondContact ND2-O 3.48Å; N46-R146 VanDerWaalsContact C-NH1 3.35Å
47L98.2Very high97.7Very high3 Ų354.7 Ų54.72%0.01624%0.237CC..  trans-70.9153.9173.9-58.2178.6000111.9I44 G45 T51 I56 G82 C84 L106 I111 R146I44-L47 HydrophobicContact CG2-CD1 4.18Å; I44-L47 HydrophobicContact CG2-CD2 3.68Å; I44-L47 HydrophobicContact CG2-CG 4.03Å; G45-L47 VanDerWaalsContact C-N 3.3Å; L47-T51 HydrophobicContact CD2-CG2 4.42Å; L47-I56 HydrophobicContact CD1-CD1 3.78Å; L47-I56 HydrophobicContact CD2-CD1 3.75Å; L47-I56 HydrophobicContact CG-CD1 4.42Å; L47-G82 PolarHBondContact N-O 2.84Å; L47-G82 WeakPolarHBondContact O-CA 3.44Å; L47-C84 HydrophobicContact CD1-CB 4.11Å; L47-L106 HydrophobicContact CD2-CD2 4.09Å; L47-I111 HydrophobicContact CD2-CB 4.42Å; L47-I111 HydrophobicContact CD2-CG2 3.68Å; L47-R146 VanDerWaalsContact N-NH1 3.18Å; L47-R146 VanDerWaalsContact O-CD 3.24Å; L47-R146 WeakPolarHBondContact O-CD 3.11Å; L47-R146 PolarHBondContact O-NH1 3.13Å
48S97.2Very high97.9Very high4 Ų454.9 Ų54.93%0.02824%0.243CC..  trans-65.1153.2167.4179.70000109.4Y50 T51S48-Y50 PolarHBondContact O-N 2.55Å; S48-Y50 WeakPolarHBondContact OG-CD2 2.95Å; S48-Y50 PolarHBondContact OG-N 2.84Å; S48-Y50 VanDerWaalsContact OG-N 3.15Å; S48-T51 WeakPolarHBondContact CB-OG1 3.44Å; S48-T51 PolarHBondContact N-OG1 2.83Å; S48-T51 PolarHBondContact O-N 3.04Å; S48-T51 PolarHBondContact O-OG1 2.94Å
49F96.5Very high98Very high58 Ų5849.9 Ų49.925%0.25422%0.22SC..THydrogen-bonded Turntrans-66.7-13.9167.3-70.1-2000112C81 E145 R146F49-C81 VanDerWaalsContact CE1-C 3.45Å; F49-C81 HydrophobicContact CE1-CB 4.49Å; F49-E145 WeakPolarHBondContact CB-O 3.07Å; F49-E145 WeakPolarHBondContact CG-O 3.41Å; F49-E145 PolarHBondContact N-O 3.06Å; F49-R146 HydrophobicContact CE1-CB 4.18Å; F49-R146 HydrophobicContact CE1-CG 4.46Å; F49-R146 HydrophobicContact CE2-CB 4.41Å; F49-R146 WeakPolarHBondContact CE2-O 3.45Å; F49-R146 HydrophobicContact CZ-CB 4.08Å
50Y96.2Very high98.1Very high169 Ų16949 Ų4966%0.66322%0.216SC*.THydrogen-bonded Turntrans-95.4-8176.6-52.8-66.7000113.7S48 R52S48-Y50 PolarHBondContact O-N 2.55Å; S48-Y50 WeakPolarHBondContact OG-CD2 2.95Å; S48-Y50 PolarHBondContact OG-N 2.84Å; S48-Y50 VanDerWaalsContact OG-N 3.15Å; Y50-R52 WeakPolarHBondContact O-CG 3.32Å; Y50-R52 PolarHBondContact O-N 3.23Å
51T98.1Very high98.1Very high2 Ų249.9 Ų49.91%0.01222%0.223CC..  trans-63.1121.5176.4-57.20000109.7L47 S48 I56 M71 L106 D107L47-T51 HydrophobicContact CD2-CG2 4.42Å; S48-T51 WeakPolarHBondContact CB-OG1 3.44Å; S48-T51 PolarHBondContact N-OG1 2.83Å; S48-T51 PolarHBondContact O-N 3.04Å; S48-T51 PolarHBondContact O-OG1 2.94Å; T51-I56 HydrophobicContact CG2-CD1 3.7Å; T51-I56 HydrophobicContact CG2-CG1 3.98Å; T51-M71 WeakPolarHBondContact O-CE 3.38Å; T51-L106 HydrophobicContact CG2-CD2 3.66Å; T51-L106 HydrophobicContact CG2-CG 4.23Å; T51-D107 VanDerWaalsContact CA-OD2 3.26Å; T51-D107 WeakPolarHBondContact CA-OD2 3.25Å; T51-D107 VanDerWaalsContact CB-OD2 3.22Å; T51-D107 WeakPolarHBondContact CB-OD2 3.21Å; T51-D107 WeakPolarHBondContact CG2-OD2 3.24Å; T51-D107 PolarHBondContact OG1-OD2 2.97Å
52R97.9Very high98.1Very high175 Ų17558.4 Ų58.466%0.6625%0.254SS*.  trans-93.1159.6-178.7-51.5-175.8179.1-178.6-0.5112.1Y50 E54 Q55 I56Y50-R52 WeakPolarHBondContact O-CG 3.32Å; Y50-R52 PolarHBondContact O-N 3.23Å; R52-E54 VanDerWaalsContact C-N 3.25Å; R52-E54 WeakPolarHBondContact CB-OE2 3.24Å; R52-E54 PolarHBondContact O-N 2.94Å; R52-Q55 HydrophobicContact CB-CG 4.49Å; R52-Q55 PolarHBondContact O-N 3.4Å; R52-I56 PolarHBondContact O-N 3.3Å
53E98.3Very high98.1Very high83 Ų8359.2 Ų59.239%0.38826%0.261SS..Hα-helixtrans-59.3-37.8179.8-172.2172.7149.900111.9Q55 I56 W57 V69 M71E53-Q55 VanDerWaalsContact C-N 3.29Å; E53-Q55 PolarHBondContact O-N 2.77Å; E53-I56 WeakPolarHBondContact O-CB 3.38Å; E53-I56 PolarHBondContact O-N 3.03Å; E53-W57 WeakPolarHBondContact O-CB 3.47Å; E53-W57 PolarHBondContact O-N 3.23Å; E53-V69 HydrophobicContact CG-CB 4.05Å; E53-V69 HydrophobicContact CG-CG1 3.88Å; E53-M71 HydrophobicContact CB-CG 3.9Å; E53-M71 HydrophobicContact CB-SD 4Å; E53-M71 HydrophobicContact CG-CG 4.12Å; E53-M71 HydrophobicContact CG-SD 4.25Å
54E98.4Very high98Very high131 Ų13159.8 Ų59.861%0.61227%0.27SS*.Hα-helixtrans-63.6-36.4-179.5-56.679-171.200111.7R52 W57 E58R52-E54 VanDerWaalsContact C-N 3.25Å; R52-E54 WeakPolarHBondContact CB-OE2 3.24Å; R52-E54 PolarHBondContact O-N 2.94Å; E54-W57 PolarHBondContact O-N 3.44Å; E54-E58 WeakPolarHBondContact O-CB 3.39Å; E54-E58 PolarHBondContact O-N 2.93Å
55Q98.4Very high98Very high55 Ų5566.6 Ų66.626%0.25730%0.302SS..Hα-helixtrans-69.9-38.1177.4-59.9173.8-91.100111.4R52 E53 L59 L106 D107R52-Q55 HydrophobicContact CB-CG 4.49Å; R52-Q55 PolarHBondContact O-N 3.4Å; E53-Q55 VanDerWaalsContact C-N 3.29Å; E53-Q55 PolarHBondContact O-N 2.77Å; Q55-L59 WeakPolarHBondContact O-CB 3.24Å; Q55-L59 PolarHBondContact O-N 3.41Å; Q55-L59 VanDerWaalsContact O-N 3.09Å; Q55-L106 HydrophobicContact CB-CD1 4.29Å; Q55-D107 PolarHBondContact NE2-OD1 3.15Å
56I98.7Very high98.1Very high0 Ų067.1 Ų67.10%030%0.304CS..Hα-helixtrans-62.8-48.5172.2-60-66000109.5L47 T51 R52 E53 E58 L59 F60 V69 M71 V86 L106L47-I56 HydrophobicContact CD1-CD1 3.78Å; L47-I56 HydrophobicContact CD2-CD1 3.75Å; L47-I56 HydrophobicContact CG-CD1 4.42Å; T51-I56 HydrophobicContact CG2-CD1 3.7Å; T51-I56 HydrophobicContact CG2-CG1 3.98Å; R52-I56 PolarHBondContact O-N 3.3Å; E53-I56 WeakPolarHBondContact O-CB 3.38Å; E53-I56 PolarHBondContact O-N 3.03Å; I56-E58 VanDerWaalsContact C-N 3.35Å; I56-E58 PolarHBondContact O-N 3.09Å; I56-L59 PolarHBondContact O-N 2.98Å; I56-F60 HydrophobicContact CG2-CD2 3.93Å; I56-F60 HydrophobicContact CG2-CE2 4.35Å; I56-F60 WeakPolarHBondContact O-CB 3.39Å; I56-F60 WeakPolarHBondContact O-CD2 3.39Å; I56-F60 PolarHBondContact O-N 2.98Å; I56-V69 HydrophobicContact CB-CG1 4.24Å; I56-V69 HydrophobicContact CG2-CG1 3.74Å; I56-V69 HydrophobicContact CG2-CG2 4.16Å; I56-M71 HydrophobicContact CG1-SD 4.28Å; I56-V86 HydrophobicContact CG2-CG2 3.73Å; I56-L106 HydrophobicContact CD1-CD2 3.58Å
57W98.5Very high98.1Very high105 Ų10570.5 Ų70.540%0.39832%0.317SS..Hα-helixtrans-57-48.9178.9-163.5-73.9000111.1E53 E54 S61 I66 V69E53-W57 WeakPolarHBondContact O-CB 3.47Å; E53-W57 PolarHBondContact O-N 3.23Å; E54-W57 PolarHBondContact O-N 3.44Å; W57-S61 VanDerWaalsContact CD1-OG 3.26Å; W57-S61 PolarHBondContact NE1-OG 3Å; W57-S61 WeakPolarHBondContact O-CB 3.43Å; W57-S61 PolarHBondContact O-N 3.13Å; W57-S61 PolarHBondContact O-OG 2.65Å; W57-I66 HydrophobicContact CD2-CD1 4.25Å; W57-I66 HydrophobicContact CE3-CG2 4.2Å; W57-I66 HydrophobicContact CG-CD1 4.27Å; W57-I66 HydrophobicContact CH2-CB 4.17Å; W57-I66 HydrophobicContact CH2-CG2 3.88Å; W57-I66 HydrophobicContact CZ2-CB 4.03Å; W57-I66 HydrophobicContact CZ2-CG2 4.24Å; W57-I66 HydrophobicContact CZ3-CG2 3.87Å; W57-V69 HydrophobicContact CD2-CG2 4.35Å; W57-V69 HydrophobicContact CE3-CB 4.24Å; W57-V69 HydrophobicContact CE3-CG2 3.52Å; W57-V69 HydrophobicContact CZ3-CG2 4.03Å
58E98.5Very high98.2Very high124 Ų12474.7 Ų74.758%0.57933%0.332SS*.Hα-helixtrans-60.5-48.2-179.8-172-171.5160.600112.6E54 I56 R62E54-E58 WeakPolarHBondContact O-CB 3.39Å; E54-E58 PolarHBondContact O-N 2.93Å; I56-E58 VanDerWaalsContact C-N 3.35Å; I56-E58 PolarHBondContact O-N 3.09Å; E58-R62 IonicContact OE1-NH2 3.89Å
59L98.5Very high98.2Very high22 Ų2275.1 Ų75.112%0.11534%0.335CS..Hα-helixtrans-66-49.2-178.6176.460.3000111.3Q55 I56 R62 I101 L106 I111Q55-L59 WeakPolarHBondContact O-CB 3.24Å; Q55-L59 PolarHBondContact O-N 3.41Å; Q55-L59 VanDerWaalsContact O-N 3.09Å; I56-L59 PolarHBondContact O-N 2.98Å; L59-R62 WeakPolarHBondContact O-CB 3.42Å; L59-R62 WeakPolarHBondContact O-CG 3.12Å; L59-R62 PolarHBondContact O-N 3.21Å; L59-I101 HydrophobicContact CD1-CG2 4.43Å; L59-I101 HydrophobicContact CD2-CG2 4.05Å; L59-I101 HydrophobicContact CG-CG2 4.02Å; L59-I101 WeakPolarHBondContact O-CD1 3.27Å; L59-L106 HydrophobicContact CD2-CB 4.19Å; L59-L106 HydrophobicContact CD2-CD1 4.36Å; L59-L106 HydrophobicContact CD2-CD2 4.19Å; L59-L106 HydrophobicContact CD2-CG 4.5Å; L59-I111 HydrophobicContact CD2-CD1 3.72Å
60F98.7Very high98.3Very high0 Ų073.5 Ų73.50%033%0.329CS..Hα-helixtrans-73.9-26.8-174.5-78.3-104.1000112.4I44 I56 R62 A63 I66 V86 Y88 A97 I101 I111 T113I44-F60 HydrophobicContact CB-CZ 4.44Å; I44-F60 HydrophobicContact CD1-CE1 4.06Å; I44-F60 HydrophobicContact CD1-CZ 4.23Å; I44-F60 HydrophobicContact CG1-CE1 3.67Å; I44-F60 HydrophobicContact CG1-CE2 4.15Å; I44-F60 HydrophobicContact CG1-CZ 3.35Å; I44-F60 HydrophobicContact CG2-CZ 4.15Å; I56-F60 HydrophobicContact CG2-CD2 3.93Å; I56-F60 HydrophobicContact CG2-CE2 4.35Å; I56-F60 WeakPolarHBondContact O-CB 3.39Å; I56-F60 WeakPolarHBondContact O-CD2 3.39Å; I56-F60 PolarHBondContact O-N 2.98Å; F60-R62 PolarHBondContact O-N 3.31Å; F60-A63 PolarHBondContact O-N 2.84Å; F60-I66 HydrophobicContact CB-CD1 3.68Å; F60-I66 HydrophobicContact CB-CG1 4.45Å; F60-V86 HydrophobicContact CB-CG1 4.22Å; F60-V86 HydrophobicContact CD1-CB 4.19Å; F60-V86 HydrophobicContact CD1-CG1 4.1Å; F60-V86 HydrophobicContact CD1-CG2 3.95Å; F60-V86 HydrophobicContact CD2-CG2 4.46Å; F60-V86 HydrophobicContact CE1-CG2 4.34Å; F60-V86 HydrophobicContact CG-CG1 4.39Å; F60-V86 HydrophobicContact CG-CG2 4.05Å; F60-Y88 WeakPolarHBondContact CB-OH 3.41Å; F60-Y88 HydrophobicContact CD1-CE2 4.34Å; F60-Y88 VanDerWaalsContact CD1-OH 3.32Å; F60-Y88 WeakPolarHBondContact CD1-OH 3.46Å; F60-Y88 PolarHBondContact O-OH 3.46Å; F60-A97 HydrophobicContact CD1-CB 4.32Å; F60-A97 HydrophobicContact CE1-CB 4.46Å; F60-I101 HydrophobicContact CE1-CG2 4.11Å; F60-I101 HydrophobicContact CE2-CG2 4.08Å; F60-I101 HydrophobicContact CZ-CG2 3.83Å; F60-I111 HydrophobicContact CE2-CD1 3.92Å; F60-I111 HydrophobicContact CZ-CD1 3.97Å; F60-T113 HydrophobicContact CE1-CG2 3.86Å; F60-T113 HydrophobicContact CZ-CG2 3.75Å
61S98.5Very high98.4Very high50 Ų5066.7 Ų66.735%0.3530%0.303SS..THydrogen-bonded Turntrans-60.5-18.7174.5-64.30000113.3W57 A63 G64W57-S61 VanDerWaalsContact CD1-OG 3.26Å; W57-S61 PolarHBondContact NE1-OG 3Å; W57-S61 WeakPolarHBondContact O-CB 3.43Å; W57-S61 PolarHBondContact O-N 3.13Å; W57-S61 PolarHBondContact O-OG 2.65Å; S61-A63 PolarHBondContact O-N 3.13Å; S61-G64 WeakPolarHBondContact CA-O 3.04Å
62R98.2Very high98.5Very high184 Ų18466.6 Ų66.669%0.69430%0.302SS*.THydrogen-bonded Turntrans-68.3-21.7176.5-60.1178.7-176.8-168.90.1113.2E58 L59 F60E58-R62 IonicContact OE1-NH2 3.89Å; L59-R62 WeakPolarHBondContact O-CB 3.42Å; L59-R62 WeakPolarHBondContact O-CG 3.12Å; L59-R62 PolarHBondContact O-N 3.21Å; F60-R62 PolarHBondContact O-N 3.31Å
63A98.2Very high98.5Very high17 Ų1760.2 Ų60.214%0.1428%0.281CS..THydrogen-bonded Turntrans-94.2-24.4-18000000113.2F60 S61 Y88 G93 M96 A97 I101F60-A63 PolarHBondContact O-N 2.84Å; S61-A63 PolarHBondContact O-N 3.13Å; A63-Y88 HydrophobicContact CB-CE1 4.28Å; A63-G93 WeakPolarHBondContact O-CA 3.22Å; A63-M96 HydrophobicContact CB-CB 3.82Å; A63-A97 HydrophobicContact CB-CB 3.83Å; A63-I101 HydrophobicContact CB-CD1 3.7Å
64G98.3Very high98.5Very high22 Ų2257.8 Ų57.823%0.22727%0.27CS..SBendtrans168.7178.1179.500000112.3S61 I66 Y88S61-G64 WeakPolarHBondContact CA-O 3.04Å; G64-I66 PolarHBondContact O-N 3.26Å; G64-Y88 WeakPolarHBondContact O-CE1 3.31Å
65E98.6Very high98.5Very high144 Ų14455.2 Ų55.267%0.67325%0.254SS*.  trans-70.1123178-170.2-178.1175.700111.1Y88 C89E65-Y88 WeakPolarHBondContact O-CD1 3.42Å; E65-C89 HydrophobicContact CB-CB 4.27Å; E65-C89 HydrophobicContact CG-CB 4.46Å; E65-C89 PolarHBondContact O-N 3.3Å
66I98.8Very high98.4Very high10 Ų1058.6 Ų58.65%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-84.5128.3178.1-61.7175.2000109.1W57 F60 G64 V69 V86 Y88W57-I66 HydrophobicContact CD2-CD1 4.25Å; W57-I66 HydrophobicContact CE3-CG2 4.2Å; W57-I66 HydrophobicContact CG-CD1 4.27Å; W57-I66 HydrophobicContact CH2-CB 4.17Å; W57-I66 HydrophobicContact CH2-CG2 3.88Å; W57-I66 HydrophobicContact CZ2-CB 4.03Å; W57-I66 HydrophobicContact CZ2-CG2 4.24Å; W57-I66 HydrophobicContact CZ3-CG2 3.87Å; F60-I66 HydrophobicContact CB-CD1 3.68Å; F60-I66 HydrophobicContact CB-CG1 4.45Å; G64-I66 PolarHBondContact O-N 3.26Å; I66-V69 HydrophobicContact CD1-CG2 4.38Å; I66-V69 HydrophobicContact CG2-CG2 3.92Å; I66-V86 HydrophobicContact CD1-CG1 4.33Å; I66-V86 HydrophobicContact CG1-CG1 4.2Å; I66-V86 HydrophobicContact CG2-CG1 4.2Å; I66-Y88 HydrophobicContact CG1-CD1 4.41Å; I66-Y88 HydrophobicContact CG1-CE1 4.08Å
67K98.6Very high98.2Very high123 Ų12362.7 Ų62.754%0.53529%0.29SS..EExtended strand (participates in β ladder)trans-79.5-43.8171.1-179.1176.2167.8-165.60111.3E87K67-E87 WeakPolarHBondContact CA-O 3.33Å; K67-E87 HydrophobicContact CB-CG 4.47Å; K67-E87 WeakPolarHBondContact CB-O 3.25Å; K67-E87 HydrophobicContact CD-CG 4.29Å; K67-E87 WeakPolarHBondContact CD-OE1 3.46Å; K67-E87 WeakPolarHBondContact CE-OE1 3.27Å; K67-E87 PolarHBondContact N-O 3.34Å; K67-E87 IonicContact NZ-OE1 3.89Å; K67-E87 PolarHBondContact NZ-OE1 3.38Å
68R98.4Very high98.2Very high90 Ų9062.5 Ų62.534%0.3429%0.293SS..EExtended strand (participates in β ladder)trans-161.1150.417554.3178.9-179.8175.7-1.1112.5I70 E87R68-I70 HydrophobicContact CB-CD1 4.39Å; R68-I70 HydrophobicContact CG-CD1 3.75Å; R68-E87 HydrophobicContact CG-CB 3.86Å; R68-E87 IonicContact CZ-OE2 3.38Å; R68-E87 PolarHBondContact N-O 3.02Å; R68-E87 IonicContact NE-OE2 3.15Å; R68-E87 PolarHBondContact NE-OE2 2.79Å; R68-E87 IonicContact NH2-OE2 2.73Å; R68-E87 PolarHBondContact NH2-OE2 2.7Å; R68-E87 PolarHBondContact O-N 3.07Å
69V98.7Very high98.1Very high13 Ų1359.7 Ų59.78%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-108.4135.5163.8-1790000107.7E53 I56 W57 I66 M71 F85 V86E53-V69 HydrophobicContact CG-CB 4.05Å; E53-V69 HydrophobicContact CG-CG1 3.88Å; I56-V69 HydrophobicContact CB-CG1 4.24Å; I56-V69 HydrophobicContact CG2-CG1 3.74Å; I56-V69 HydrophobicContact CG2-CG2 4.16Å; W57-V69 HydrophobicContact CD2-CG2 4.35Å; W57-V69 HydrophobicContact CE3-CB 4.24Å; W57-V69 HydrophobicContact CE3-CG2 3.52Å; W57-V69 HydrophobicContact CZ3-CG2 4.03Å; I66-V69 HydrophobicContact CD1-CG2 4.38Å; I66-V69 HydrophobicContact CG2-CG2 3.92Å; V69-M71 HydrophobicContact CG1-SD 4.04Å; V69-F85 WeakPolarHBondContact CA-O 3.25Å; V69-V86 HydrophobicContact CG2-CG2 4.34Å
70I98.6Very high98.1Very high25 Ų2560.9 Ų60.913%0.12829%0.293CS..EExtended strand (participates in β ladder)trans-122.5107174.2-5289000108.8R68 G72 C84 F85 F119 Q124R68-I70 HydrophobicContact CB-CD1 4.39Å; R68-I70 HydrophobicContact CG-CD1 3.75Å; I70-G72 PolarHBondContact O-N 3.28Å; I70-C84 CarbonylContact O-C 3.44Å; I70-C84 VanDerWaalsContact O-CA 3.24Å; I70-C84 WeakPolarHBondContact O-CA 3.15Å; I70-C84 VanDerWaalsContact O-CB 3.25Å; I70-C84 WeakPolarHBondContact O-CB 3.3Å; I70-F85 HydrophobicContact CB-CB 4.31Å; I70-F85 HydrophobicContact CB-CD2 4.4Å; I70-F85 HydrophobicContact CD1-CB 4.09Å; I70-F85 PolarHBondContact N-O 3.29Å; I70-F85 PolarHBondContact O-N 3.27Å; I70-F119 HydrophobicContact CB-CD2 4.4Å; I70-F119 HydrophobicContact CB-CE2 4.1Å; I70-F119 HydrophobicContact CB-CZ 4.31Å; I70-F119 HydrophobicContact CD1-CB 4.42Å; I70-F119 HydrophobicContact CD1-CD1 4.21Å; I70-F119 HydrophobicContact CD1-CD2 4.28Å; I70-F119 HydrophobicContact CD1-CG 4.02Å; I70-F119 HydrophobicContact CG1-CD1 4.19Å; I70-F119 HydrophobicContact CG1-CD2 4.3Å; I70-F119 HydrophobicContact CG1-CE1 4.12Å; I70-F119 HydrophobicContact CG1-CE2 4.23Å; I70-F119 HydrophobicContact CG1-CG 4.28Å; I70-F119 HydrophobicContact CG1-CZ 4.16Å; I70-F119 HydrophobicContact CG2-CD2 4.45Å; I70-F119 HydrophobicContact CG2-CE1 4.37Å; I70-F119 HydrophobicContact CG2-CE2 3.68Å; I70-F119 HydrophobicContact CG2-CZ 3.65Å; I70-Q124 HydrophobicContact CG2-CB 3.75Å
71M98.6Very high98Very high25 Ų2561 Ų6112%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-67.6132178.2-63.6-55.5-71.600111.3T51 E53 I56 V69 L73 C84T51-M71 WeakPolarHBondContact O-CE 3.38Å; E53-M71 HydrophobicContact CB-CG 3.9Å; E53-M71 HydrophobicContact CB-SD 4Å; E53-M71 HydrophobicContact CG-CG 4.12Å; E53-M71 HydrophobicContact CG-SD 4.25Å; I56-M71 HydrophobicContact CG1-SD 4.28Å; V69-M71 HydrophobicContact CG1-SD 4.04Å; M71-L73 HydrophobicContact CB-CD2 4.2Å; M71-L73 PolarHBondContact O-N 2.91Å; M71-C84 HydrophobicContact SD-CB 3.92Å
72G98.6Very high97.9Very high0 Ų058.7 Ų58.70%028%0.278CS..EExtended strand (participates in β ladder)trans-78.5118.7174.300000110.6I70 C81 F83 Q124I70-G72 PolarHBondContact O-N 3.28Å; G72-C81 PolarHBondContact O-N 2.71Å; G72-C81 PolarHBondContact O-SG 2.73Å; G72-F83 WeakPolarHBondContact CA-O 3.41Å; G72-F83 PolarHBondContact N-O 2.92Å; G72-Q124 CarbonylContact C-O 3.36Å; G72-Q124 VanDerWaalsContact CA-O 3.28Å; G72-Q124 WeakPolarHBondContact CA-O 3.47Å
73L98.5Very high97.9Very high41 Ų4150.4 Ų50.422%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-111.2144.2-172.6-54.8-178.2000111.8M71 R75 T79 Q124 Y125 G126M71-L73 HydrophobicContact CB-CD2 4.2Å; M71-L73 PolarHBondContact O-N 2.91Å; L73-R75 PolarHBondContact O-N 3.01Å; L73-T79 CarbonylContact C-O 3.52Å; L73-T79 VanDerWaalsContact CA-O 3.24Å; L73-T79 WeakPolarHBondContact CA-O 3.26Å; L73-Q124 PolarHBondContact N-O 2.95Å; L73-Y125 HydrophobicContact CB-CD1 4.3Å; L73-Y125 CarbonylContact O-C 3.53Å; L73-Y125 VanDerWaalsContact O-CA 3.32Å; L73-Y125 WeakPolarHBondContact O-CA 3.3Å; L73-G126 PolarHBondContact O-N 2.8Å
74H97.8Very high98Very high33 Ų3349.6 Ų49.615%0.15324%0.24CC..  trans-65.8131.6167.9178.4-70000109.1F76 D77 K78 T79 C81 S130 G131 G132H74-F76 AromaticContact CE1-CD2 3.88Å; H74-F76 PolarHBondContact ND1-N 2.86Å; H74-F76 PolarHBondContact O-N 2.98Å; H74-F76 VanDerWaalsContact O-N 3.15Å; H74-D77 WeakPolarHBondContact CB-OD1 3.47Å; H74-D77 IonicContact CE1-OD1 3.45Å; H74-D77 IonicContact CG-OD1 3.82Å; H74-D77 IonicContact CG-OD2 2.9Å; H74-D77 VanDerWaalsContact ND1-CG 3.35Å; H74-D77 IonicContact ND1-OD1 2.69Å; H74-D77 PolarHBondContact ND1-OD1 2.98Å; H74-D77 IonicContact ND1-OD2 3.3Å; H74-K78 VanDerWaalsContact O-CA 3.3Å; H74-K78 WeakPolarHBondContact O-CA 3.22Å; H74-K78 PolarHBondContact O-N 3.29Å; H74-T79 PolarHBondContact N-O 3.27Å; H74-C81 HydrophobicContact CB-CB 3.95Å; H74-C81 PolarHBondContact N-SG 3.32Å; H74-S130 PolarHBondContact CE1-O 3.37Å; H74-S130 PolarHBondContact NE2-O 2.63Å; H74-G131 WeakPolarHBondContact CA-O 3.46Å; H74-G132 WeakPolarHBondContact CD2-CA 3.31Å; H74-G132 PolarHBondContact CD2-N 2.82Å; H74-G132 PolarHBondContact NE2-N 2.74Å
75R98.1Very high98Very high76 Ų7648.6 Ų48.629%0.28723%0.23SC..THydrogen-bonded Turntrans-62.8-29.3-162.7-175.2172.261.3-114-0.3113.7L73 K78 G126 G128 G131L73-R75 PolarHBondContact O-N 3.01Å; R75-K78 WeakPolarHBondContact O-CE 3.22Å; R75-K78 PolarHBondContact O-NZ 2.57Å; R75-G126 PolarHBondContact NH1-O 3.32Å; R75-G128 PolarHBondContact NH1-O 3.09Å; R75-G128 VanDerWaalsContact NH1-O 3.09Å; R75-G128 PolarHBondContact NH2-O 3.36Å; R75-G131 PolarHBondContact N-O 2.68Å
76F97Very high98Very high127 Ų12741.7 Ų41.756%0.55720%0.197SC*.THydrogen-bonded Turntrans-98.4-53.5-171.9-55.8-47.7000113.6H74 S130H74-F76 AromaticContact CE1-CD2 3.88Å; H74-F76 PolarHBondContact ND1-N 2.86Å; H74-F76 PolarHBondContact O-N 2.98Å; H74-F76 VanDerWaalsContact O-N 3.15Å; F76-S130 WeakPolarHBondContact CD2-O 3.42Å; F76-S130 VanDerWaalsContact CE2-O 3.28Å; F76-S130 WeakPolarHBondContact CE2-O 3.4Å
77D95.7Very high98Very high85 Ų8542 Ų4246%0.45520%0.199SC..THydrogen-bonded Turntrans-85.4-11.7-178.864.6-11000114H74 T79H74-D77 WeakPolarHBondContact CB-OD1 3.47Å; H74-D77 IonicContact CE1-OD1 3.45Å; H74-D77 IonicContact CG-OD1 3.82Å; H74-D77 IonicContact CG-OD2 2.9Å; H74-D77 VanDerWaalsContact ND1-CG 3.35Å; H74-D77 IonicContact ND1-OD1 2.69Å; H74-D77 PolarHBondContact ND1-OD1 2.98Å; H74-D77 IonicContact ND1-OD2 3.3Å; D77-T79 HydrophobicContact CB-CG2 4.17Å; D77-T79 PolarHBondContact O-N 2.77Å; D77-T79 PolarHBondContact OD1-N 3.17Å; D77-T79 PolarHBondContact OD1-OG1 2.85Å; D77-T79 WeakPolarHBondContact OD2-CG2 3.48Å; D77-T79 PolarHBondContact OD2-OG1 2.95Å
78K97.2Very high98Very high102 Ų10236.2 Ų36.244%0.44317%0.174SC..  trans61.426.8-179.8-49.1-57.5-176.4-174.10114.2H74 R75 Y125H74-K78 VanDerWaalsContact O-CA 3.3Å; H74-K78 WeakPolarHBondContact O-CA 3.22Å; H74-K78 PolarHBondContact O-N 3.29Å; R75-K78 WeakPolarHBondContact O-CE 3.22Å; R75-K78 PolarHBondContact O-NZ 2.57Å; K78-Y125 HydrophobicContact CD-CD1 4.46Å; K78-Y125 HydrophobicContact CD-CE1 3.85Å
79T96.6Very high98Very high64 Ų6434.8 Ų34.839%0.39318%0.177SC..  trans-90.6156.4175.265.10000111.4L73 H74 D77 C81L73-T79 CarbonylContact C-O 3.52Å; L73-T79 VanDerWaalsContact CA-O 3.24Å; L73-T79 WeakPolarHBondContact CA-O 3.26Å; H74-T79 PolarHBondContact N-O 3.27Å; D77-T79 HydrophobicContact CB-CG2 4.17Å; D77-T79 PolarHBondContact O-N 2.77Å; D77-T79 PolarHBondContact OD1-N 3.17Å; D77-T79 PolarHBondContact OD1-OG1 2.85Å; D77-T79 WeakPolarHBondContact OD2-CG2 3.48Å; D77-T79 PolarHBondContact OD2-OG1 2.95Å; T79-C81 PolarHBondContact O-N 2.67Å
80P97.6Very high98Very high48 Ų4837.7 Ų37.731%0.31219%0.194SC..EExtended strand (participates in β ladder)trans-57.8132.8174.5-24.134.3000112.1
81C96.8Very high97.9Very high2 Ų238.3 Ų38.31%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-120.335.9179.268.50000113.1F49 G72 H74 T79 F83 Q133F49-C81 VanDerWaalsContact CE1-C 3.45Å; F49-C81 HydrophobicContact CE1-CB 4.49Å; G72-C81 PolarHBondContact O-N 2.71Å; G72-C81 PolarHBondContact O-SG 2.73Å; H74-C81 HydrophobicContact CB-CB 3.95Å; H74-C81 PolarHBondContact N-SG 3.32Å; T79-C81 PolarHBondContact O-N 2.67Å; C81-F83 PolarHBondContact O-N 3.25Å; C81-F83 WeakPolarHBondContact SG-CE1 3.33Å; C81-Q133 VanDerWaalsContact O-CD 3.29Å; C81-Q133 WeakPolarHBondContact O-CG 3.45Å; C81-Q133 PolarHBondContact O-OE1 3.47Å; C81-Q133 VanDerWaalsContact O-OE1 3.08Å
82G97.6Very high97.9Very high2 Ų241.7 Ų41.72%0.02121%0.214CC..EExtended strand (participates in β ladder)trans79.123.2161.400000115.7N46 L47 Q133 R146N46-G82 PolarHBondContact N-O 3.35Å; L47-G82 PolarHBondContact N-O 2.84Å; L47-G82 WeakPolarHBondContact O-CA 3.44Å; G82-Q133 PolarHBondContact O-OE1 3.47Å; G82-R146 PolarHBondContact O-NH1 2.71Å
83F98.5Very high97.9Very high10 Ų1041.8 Ų41.84%0.04422%0.215CC..EExtended strand (participates in β ladder)trans-147.5164.616779.2-80.7000110.7Y43 I44 G72 C81 F85 Q124 Q133Y43-F83 HydrophobicContact CD2-CD2 4.08Å; Y43-F83 HydrophobicContact CE2-CB 3.86Å; Y43-F83 AromaticContact CE2-CD2 3.43Å; Y43-F83 HydrophobicContact CE2-CD2 3.43Å; Y43-F83 VanDerWaalsContact CE2-CD2 3.43Å; Y43-F83 HydrophobicContact CE2-CE2 4.21Å; Y43-F83 AromaticContact CE2-CG 3.89Å; Y43-F83 HydrophobicContact CE2-CG 3.89Å; I44-F83 CarbonylContact O-C 3.53Å; I44-F83 WeakPolarHBondContact O-CA 3.37Å; I44-F83 WeakPolarHBondContact O-CB 3.48Å; G72-F83 WeakPolarHBondContact CA-O 3.41Å; G72-F83 PolarHBondContact N-O 2.92Å; C81-F83 PolarHBondContact O-N 3.25Å; C81-F83 WeakPolarHBondContact SG-CE1 3.33Å; F83-F85 HydrophobicContact CD2-CE2 4.25Å; F83-F85 HydrophobicContact CE2-CD2 4.34Å; F83-F85 AromaticContact CE2-CE2 3.59Å; F83-F85 HydrophobicContact CE2-CE2 3.59Å; F83-F85 AromaticContact CE2-CZ 3.96Å; F83-F85 HydrophobicContact CE2-CZ 3.96Å; F83-Q124 WeakPolarHBondContact CZ-O 3.49Å; F83-Q133 VanDerWaalsContact CD1-CD 3.46Å; F83-Q133 HydrophobicContact CD1-CG 3.68Å; F83-Q133 VanDerWaalsContact CD1-NE2 3.27Å; F83-Q133 HydrophobicContact CE1-CG 4.09Å
84C98.8Very high97.9Very high0 Ų039.9 Ų39.90%021%0.205CC..EExtended strand (participates in β ladder)trans-151.4177.2168.770.90000110.1I44 L47 I70 M71I44-C84 PolarHBondContact N-O 3.26Å; I44-C84 PolarHBondContact O-N 3.2Å; L47-C84 HydrophobicContact CD1-CB 4.11Å; I70-C84 CarbonylContact O-C 3.44Å; I70-C84 VanDerWaalsContact O-CA 3.24Å; I70-C84 WeakPolarHBondContact O-CA 3.15Å; I70-C84 VanDerWaalsContact O-CB 3.25Å; I70-C84 WeakPolarHBondContact O-CB 3.3Å; M71-C84 HydrophobicContact SD-CB 3.92Å
85F98.8Very high97.9Very high0 Ų039.3 Ų39.30%020%0.202CC..EExtended strand (participates in β ladder)trans-117.2143166.1-57.5-87.4000109.5T41 L42 Y43 V69 I70 F83 F119 R123T41-F85 HydrophobicContact CG2-CB 4.45Å; T41-F85 HydrophobicContact CG2-CD1 4.39Å; L42-F85 VanDerWaalsContact O-CA 3.27Å; L42-F85 WeakPolarHBondContact O-CA 3.37Å; Y43-F85 HydrophobicContact CD2-CD1 4.41Å; Y43-F85 AromaticContact CD2-CE1 3.86Å; Y43-F85 HydrophobicContact CD2-CE1 3.86Å; Y43-F85 HydrophobicContact CD2-CZ 4.26Å; V69-F85 WeakPolarHBondContact CA-O 3.25Å; I70-F85 HydrophobicContact CB-CB 4.31Å; I70-F85 HydrophobicContact CB-CD2 4.4Å; I70-F85 HydrophobicContact CD1-CB 4.09Å; I70-F85 PolarHBondContact N-O 3.29Å; I70-F85 PolarHBondContact O-N 3.27Å; F83-F85 HydrophobicContact CD2-CE2 4.25Å; F83-F85 HydrophobicContact CE2-CD2 4.34Å; F83-F85 AromaticContact CE2-CE2 3.59Å; F83-F85 HydrophobicContact CE2-CE2 3.59Å; F83-F85 AromaticContact CE2-CZ 3.96Å; F83-F85 HydrophobicContact CE2-CZ 3.96Å; F85-F119 HydrophobicContact CB-CD2 4.28Å; F85-F119 HydrophobicContact CD1-CD2 4.47Å; F85-F119 AromaticContact CD2-CD2 3.51Å; F85-F119 HydrophobicContact CD2-CD2 3.51Å; F85-F119 AromaticContact CD2-CE2 3.74Å; F85-F119 HydrophobicContact CD2-CE2 3.74Å; F85-F119 AromaticContact CE2-CD2 3.84Å; F85-F119 HydrophobicContact CE2-CD2 3.84Å; F85-F119 AromaticContact CE2-CE2 3.89Å; F85-F119 HydrophobicContact CE2-CE2 3.89Å; F85-F119 AromaticContact CG-CD2 3.85Å; F85-F119 HydrophobicContact CG-CD2 3.85Å; F85-F119 HydrophobicContact CZ-CD2 4.46Å; F85-R123 HydrophobicContact CE2-CB 4.26Å; F85-R123 HydrophobicContact CZ-CB 4.24Å
86V98.9Very high97.9Very high0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-123.3124.4170.7177.90000107.5T41 L42 I44 I56 F60 I66 V69 Y88T41-V86 WeakPolarHBondContact CA-O 3.43Å; L42-V86 PolarHBondContact N-O 2.97Å; L42-V86 PolarHBondContact O-N 2.79Å; I44-V86 HydrophobicContact CD1-CB 3.87Å; I44-V86 HydrophobicContact CD1-CG2 3.63Å; I44-V86 HydrophobicContact CG1-CG2 4.28Å; I56-V86 HydrophobicContact CG2-CG2 3.73Å; F60-V86 HydrophobicContact CB-CG1 4.22Å; F60-V86 HydrophobicContact CD1-CB 4.19Å; F60-V86 HydrophobicContact CD1-CG1 4.1Å; F60-V86 HydrophobicContact CD1-CG2 3.95Å; F60-V86 HydrophobicContact CD2-CG2 4.46Å; F60-V86 HydrophobicContact CE1-CG2 4.34Å; F60-V86 HydrophobicContact CG-CG1 4.39Å; F60-V86 HydrophobicContact CG-CG2 4.05Å; I66-V86 HydrophobicContact CD1-CG1 4.33Å; I66-V86 HydrophobicContact CG1-CG1 4.2Å; I66-V86 HydrophobicContact CG2-CG1 4.2Å; V69-V86 HydrophobicContact CG2-CG2 4.34Å; V86-Y88 HydrophobicContact CG1-CD2 4.14Å; V86-Y88 HydrophobicContact CG1-CE2 3.78Å
87E98.8Very high98Very high17 Ų1733.4 Ų33.48%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-108.2122.2172-171.2178.3154.100108.9T40 K67 R68T40-E87 WeakPolarHBondContact O-CA 3.23Å; T40-E87 WeakPolarHBondContact OG1-CG 3.47Å; K67-E87 WeakPolarHBondContact CA-O 3.33Å; K67-E87 HydrophobicContact CB-CG 4.47Å; K67-E87 WeakPolarHBondContact CB-O 3.25Å; K67-E87 HydrophobicContact CD-CG 4.29Å; K67-E87 WeakPolarHBondContact CD-OE1 3.46Å; K67-E87 WeakPolarHBondContact CE-OE1 3.27Å; K67-E87 PolarHBondContact N-O 3.34Å; K67-E87 IonicContact NZ-OE1 3.89Å; K67-E87 PolarHBondContact NZ-OE1 3.38Å; R68-E87 HydrophobicContact CG-CB 3.86Å; R68-E87 IonicContact CZ-OE2 3.38Å; R68-E87 PolarHBondContact N-O 3.02Å; R68-E87 IonicContact NE-OE2 3.15Å; R68-E87 PolarHBondContact NE-OE2 2.79Å; R68-E87 IonicContact NH2-OE2 2.73Å; R68-E87 PolarHBondContact NH2-OE2 2.7Å; R68-E87 PolarHBondContact O-N 3.07Å
88Y98.9Very high98.1Very high1 Ų130.2 Ų30.20%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-86.7153.7174.5-75.3-87.6000111.5T40 L42 F60 A63 G64 E65 I66 V86 T90 A94 A97T40-Y88 VanDerWaalsContact CB-O 3.23Å; T40-Y88 WeakPolarHBondContact CB-O 3.45Å; T40-Y88 PolarHBondContact O-N 3.4Å; T40-Y88 PolarHBondContact OG1-O 3.43Å; L42-Y88 HydrophobicContact CD1-CE2 4.09Å; F60-Y88 WeakPolarHBondContact CB-OH 3.41Å; F60-Y88 HydrophobicContact CD1-CE2 4.34Å; F60-Y88 VanDerWaalsContact CD1-OH 3.32Å; F60-Y88 WeakPolarHBondContact CD1-OH 3.46Å; F60-Y88 PolarHBondContact O-OH 3.46Å; A63-Y88 HydrophobicContact CB-CE1 4.28Å; G64-Y88 WeakPolarHBondContact O-CE1 3.31Å; E65-Y88 WeakPolarHBondContact O-CD1 3.42Å; I66-Y88 HydrophobicContact CG1-CD1 4.41Å; I66-Y88 HydrophobicContact CG1-CE1 4.08Å; V86-Y88 HydrophobicContact CG1-CD2 4.14Å; V86-Y88 HydrophobicContact CG1-CE2 3.78Å; Y88-T90 VanDerWaalsContact CB-O 3.27Å; Y88-T90 WeakPolarHBondContact CB-O 3.19Å; Y88-T90 PolarHBondContact O-N 2.82Å; Y88-A94 HydrophobicContact CD2-CB 3.81Å; Y88-A94 HydrophobicContact CE2-CB 4.48Å; Y88-A94 HydrophobicContact CG-CB 4.43Å; Y88-A97 HydrophobicContact CE2-CB 3.86Å; Y88-A97 WeakPolarHBondContact OH-CB 3.1Å
89C98.5Very high98Very high60 Ų6030.8 Ų30.841%0.40516%0.162SC..SBendtrans-65.3-26.8169.9-67.70000112.1E65E65-C89 HydrophobicContact CB-CB 4.27Å; E65-C89 HydrophobicContact CG-CB 4.46Å; E65-C89 PolarHBondContact O-N 3.3Å
90T98.3Very high98Very high73 Ų7335.1 Ų35.145%0.44817%0.173SC..SBendtrans-131.7152.5-178.265.10000112Y88 D92 G93Y88-T90 VanDerWaalsContact CB-O 3.27Å; Y88-T90 WeakPolarHBondContact CB-O 3.19Å; Y88-T90 PolarHBondContact O-N 2.82Å; T90-D92 VanDerWaalsContact C-N 3.3Å; T90-D92 PolarHBondContact O-N 2.86Å; T90-G93 PolarHBondContact O-N 3.19Å; T90-G93 PolarHBondContact OG1-N 3.4Å
91R97.4Very high98.1Very high39 Ų3933.3 Ų33.315%0.14716%0.16CC..Hα-helixtrans-61.5-40.6172.9178.160.5-178.4-162.8-5.3111.7L36 R37 T39 T40 G93 A94 E95 W115L36-R91 PolarHBondContact O-NH1 3.09Å; L36-R91 PolarHBondContact O-NH2 3.03Å; L36-R91 VanDerWaalsContact O-NH2 3.07Å; R37-R91 PolarHBondContact O-NE 2.86Å; R37-R91 PolarHBondContact O-NH2 3.29Å; R37-R91 VanDerWaalsContact O-NH2 3.11Å; T39-R91 WeakPolarHBondContact O-CD 3.29Å; T39-R91 PolarHBondContact O-NH1 2.8Å; T40-R91 HydrophobicContact CG2-CB 4.47Å; R91-G93 VanDerWaalsContact C-N 3.26Å; R91-G93 PolarHBondContact O-N 2.97Å; R91-A94 PolarHBondContact O-N 2.83Å; R91-E95 HydrophobicContact CG-CG 4.38Å; R91-E95 IonicContact CZ-OE1 3.65Å; R91-E95 IonicContact NE-OE1 2.73Å; R91-E95 PolarHBondContact NE-OE1 3.05Å; R91-E95 VanDerWaalsContact NE-OE1 3.12Å; R91-E95 IonicContact NH2-OE1 3.65Å; R91-E95 PolarHBondContact O-N 2.94Å; R91-W115 VanDerWaalsContact CZ-CH2 3.46Å; R91-W115 VanDerWaalsContact CZ-CZ3 3.4Å
92D97.9Very high98.1Very high96 Ų9635.2 Ų35.251%0.51317%0.17SC..Hα-helixtrans-54.6-41.8177.7-71.85.3000111.6T90 A94 E95 M96T90-D92 VanDerWaalsContact C-N 3.3Å; T90-D92 PolarHBondContact O-N 2.86Å; D92-A94 PolarHBondContact O-N 2.9Å; D92-E95 PolarHBondContact O-N 2.94Å; D92-M96 WeakPolarHBondContact O-CB 3.44Å; D92-M96 VanDerWaalsContact O-CG 3.22Å; D92-M96 WeakPolarHBondContact O-CG 3.2Å; D92-M96 PolarHBondContact O-N 2.69Å
93G98.3Very high98.2Very high2 Ų241 Ų412%0.02120%0.195CC..Hα-helixtrans-61.9-42.6176.600000113.2A63 T90 R91 M96 A97A63-G93 WeakPolarHBondContact O-CA 3.22Å; T90-G93 PolarHBondContact O-N 3.19Å; T90-G93 PolarHBondContact OG1-N 3.4Å; R91-G93 VanDerWaalsContact C-N 3.26Å; R91-G93 PolarHBondContact O-N 2.97Å; G93-M96 PolarHBondContact O-N 3.3Å; G93-A97 PolarHBondContact O-N 2.98Å
94A98.4Very high98.1Very high0 Ų042.6 Ų42.60%021%0.206CC..Hα-helixtrans-66.8-38.6176.800000112.1L42 Y88 R91 D92 A97 M98 W115L42-A94 HydrophobicContact CD1-CB 4.45Å; L42-A94 HydrophobicContact CD2-CB 4.35Å; L42-A94 HydrophobicContact CG-CB 4.31Å; Y88-A94 HydrophobicContact CD2-CB 3.81Å; Y88-A94 HydrophobicContact CE2-CB 4.48Å; Y88-A94 HydrophobicContact CG-CB 4.43Å; R91-A94 PolarHBondContact O-N 2.83Å; D92-A94 PolarHBondContact O-N 2.9Å; A94-A97 PolarHBondContact O-N 2.68Å; A94-M98 WeakPolarHBondContact O-CG 3.49Å; A94-M98 PolarHBondContact O-N 3.15Å; A94-W115 HydrophobicContact CB-CH2 4.11Å; A94-W115 HydrophobicContact CB-CZ3 3.68Å
95E97.7Very high98.1Very high21 Ų2150.2 Ų50.210%0.09823%0.234CC..Hα-helixtrans-66.9-41.8175.7-71.1-174-172.400112.6F15 Y16 R91 D92 A97 M98 R99 W115F15-E95 HydrophobicContact CE1-CG 4.23Å; Y16-E95 PolarHBondContact OH-OE1 2.88Å; R91-E95 HydrophobicContact CG-CG 4.38Å; R91-E95 IonicContact CZ-OE1 3.65Å; R91-E95 IonicContact NE-OE1 2.73Å; R91-E95 PolarHBondContact NE-OE1 3.05Å; R91-E95 VanDerWaalsContact NE-OE1 3.12Å; R91-E95 IonicContact NH2-OE1 3.65Å; R91-E95 PolarHBondContact O-N 2.94Å; D92-E95 PolarHBondContact O-N 2.94Å; E95-A97 VanDerWaalsContact C-N 3.3Å; E95-A97 PolarHBondContact O-N 3.08Å; E95-M98 PolarHBondContact O-N 3.41Å; E95-R99 WeakPolarHBondContact O-CB 3.29Å; E95-R99 WeakPolarHBondContact O-CG 3.42Å; E95-R99 PolarHBondContact O-N 3.05Å; E95-R99 IonicContact OE2-CZ 3.92Å; E95-R99 IonicContact OE2-NH1 3.87Å; E95-R99 IonicContact OE2-NH2 3.46Å; E95-R99 PolarHBondContact OE2-NH2 2.82Å; E95-W115 HydrophobicContact CB-CH2 4.34Å; E95-W115 HydrophobicContact CG-CH2 3.62Å; E95-W115 HydrophobicContact CG-CZ2 4.07Å
96M98.1Very high98Very high79 Ų7951.2 Ų51.239%0.38924%0.24SC..Hα-helixtrans-60.1-42.5174.4-71-65.8-71.800110.8A63 D92 G93 R99 Y100A63-M96 HydrophobicContact CB-CB 3.82Å; D92-M96 WeakPolarHBondContact O-CB 3.44Å; D92-M96 VanDerWaalsContact O-CG 3.22Å; D92-M96 WeakPolarHBondContact O-CG 3.2Å; D92-M96 PolarHBondContact O-N 2.69Å; G93-M96 PolarHBondContact O-N 3.3Å; M96-R99 PolarHBondContact O-N 3.26Å; M96-Y100 HydrophobicContact CB-CD2 4.46Å; M96-Y100 HydrophobicContact CE-CD2 3.74Å; M96-Y100 HydrophobicContact CE-CE2 3.54Å; M96-Y100 WeakPolarHBondContact O-CB 3.34Å; M96-Y100 VanDerWaalsContact O-CD2 3.27Å; M96-Y100 WeakPolarHBondContact O-CD2 3.25Å; M96-Y100 PolarHBondContact O-N 2.73Å; M96-Y100 HydrophobicContact SD-CD2 3.99Å; M96-Y100 HydrophobicContact SD-CE2 3.55Å; M96-Y100 VanDerWaalsContact SD-CE2 3.55Å
97A98.5Very high97.9Very high0 Ų053.6 Ų53.60%025%0.252CS..Hα-helixtrans-63.9-43.8175.700000112L42 F60 A63 Y88 G93 A94 E95 R99 Y100 I101 N102L42-A97 HydrophobicContact CD1-CB 3.75Å; F60-A97 HydrophobicContact CD1-CB 4.32Å; F60-A97 HydrophobicContact CE1-CB 4.46Å; A63-A97 HydrophobicContact CB-CB 3.83Å; Y88-A97 HydrophobicContact CE2-CB 3.86Å; Y88-A97 WeakPolarHBondContact OH-CB 3.1Å; G93-A97 PolarHBondContact O-N 2.98Å; A94-A97 PolarHBondContact O-N 2.68Å; E95-A97 VanDerWaalsContact C-N 3.3Å; E95-A97 PolarHBondContact O-N 3.08Å; A97-R99 VanDerWaalsContact C-N 3.28Å; A97-R99 PolarHBondContact O-N 3.26Å; A97-Y100 PolarHBondContact O-N 2.85Å; A97-I101 HydrophobicContact CB-CB 4.41Å; A97-I101 HydrophobicContact CB-CD1 4.17Å; A97-I101 CarbonylContact O-C 3.51Å; A97-I101 WeakPolarHBondContact O-CA 3.17Å; A97-I101 WeakPolarHBondContact O-CB 3.24Å; A97-I101 PolarHBondContact O-N 3.49Å; A97-N102 PolarHBondContact O-N 3.15Å
98M97.8Very high97.7Very high19 Ų1959 Ų599%0.09428%0.282CS..Hα-helixtrans-63.7-31.9176.7-76.5-65.5-64.200113.3F15 L42 A94 E95 N102 T113 W115F15-M98 HydrophobicContact CE2-CB 4.13Å; F15-M98 HydrophobicContact CZ-CB 3.8Å; L42-M98 HydrophobicContact CD1-CG 4.11Å; L42-M98 HydrophobicContact CD1-SD 4.42Å; L42-M98 HydrophobicContact CD2-CG 3.66Å; L42-M98 HydrophobicContact CD2-SD 3.86Å; A94-M98 WeakPolarHBondContact O-CG 3.49Å; A94-M98 PolarHBondContact O-N 3.15Å; E95-M98 PolarHBondContact O-N 3.41Å; M98-N102 VanDerWaalsContact O-CB 3.24Å; M98-N102 WeakPolarHBondContact O-CB 3.27Å; M98-T113 PolarHBondContact SD-OG1 2.99Å; M98-W115 HydrophobicContact CB-CH2 4.38Å; M98-W115 HydrophobicContact CB-CZ2 3.91Å; M98-W115 HydrophobicContact CE-CG 4.34Å; M98-W115 HydrophobicContact CG-CD2 4.1Å; M98-W115 HydrophobicContact CG-CE3 4.37Å; M98-W115 HydrophobicContact CG-CH2 3.85Å; M98-W115 HydrophobicContact CG-CZ2 3.56Å; M98-W115 HydrophobicContact CG-CZ3 4.25Å
99R96.2Very high97.6Very high113 Ų11360.2 Ų60.243%0.42629%0.287SS..Hα-helixtrans-80.9-39.9178.2-72.2175.3-177148.55.1113.3F15 E95 M96 A97F15-R99 HydrophobicContact CE2-CG 3.81Å; F15-R99 HydrophobicContact CZ-CG 3.71Å; E95-R99 WeakPolarHBondContact O-CB 3.29Å; E95-R99 WeakPolarHBondContact O-CG 3.42Å; E95-R99 PolarHBondContact O-N 3.05Å; E95-R99 IonicContact OE2-CZ 3.92Å; E95-R99 IonicContact OE2-NH1 3.87Å; E95-R99 IonicContact OE2-NH2 3.46Å; E95-R99 PolarHBondContact OE2-NH2 2.82Å; M96-R99 PolarHBondContact O-N 3.26Å; A97-R99 VanDerWaalsContact C-N 3.28Å; A97-R99 PolarHBondContact O-N 3.26Å
100Y97.3Very high97.6Very high155 Ų15560.8 Ų60.861%0.60829%0.285SS*.Hα-helixtrans-119.6-22.2-165.1-57.8-65.9000115.2M96 A97 T104M96-Y100 HydrophobicContact CB-CD2 4.46Å; M96-Y100 HydrophobicContact CE-CD2 3.74Å; M96-Y100 HydrophobicContact CE-CE2 3.54Å; M96-Y100 WeakPolarHBondContact O-CB 3.34Å; M96-Y100 VanDerWaalsContact O-CD2 3.27Å; M96-Y100 WeakPolarHBondContact O-CD2 3.25Å; M96-Y100 PolarHBondContact O-N 2.73Å; M96-Y100 HydrophobicContact SD-CD2 3.99Å; M96-Y100 HydrophobicContact SD-CE2 3.55Å; M96-Y100 VanDerWaalsContact SD-CE2 3.55Å; A97-Y100 PolarHBondContact O-N 2.85Å; Y100-T104 VanDerWaalsContact O-CG2 3.22Å; Y100-T104 WeakPolarHBondContact O-CG2 3.13Å
101I98.3Very high97.6Very high10 Ų1057.4 Ų57.45%0.05126%0.264CS..THydrogen-bonded Turntrans-101.5-28.8178.7-60.4179.9000111L59 F60 A63 A97 K103 T104 I111L59-I101 HydrophobicContact CD1-CG2 4.43Å; L59-I101 HydrophobicContact CD2-CG2 4.05Å; L59-I101 HydrophobicContact CG-CG2 4.02Å; L59-I101 WeakPolarHBondContact O-CD1 3.27Å; F60-I101 HydrophobicContact CE1-CG2 4.11Å; F60-I101 HydrophobicContact CE2-CG2 4.08Å; F60-I101 HydrophobicContact CZ-CG2 3.83Å; A63-I101 HydrophobicContact CB-CD1 3.7Å; A97-I101 HydrophobicContact CB-CB 4.41Å; A97-I101 HydrophobicContact CB-CD1 4.17Å; A97-I101 CarbonylContact O-C 3.51Å; A97-I101 WeakPolarHBondContact O-CA 3.17Å; A97-I101 WeakPolarHBondContact O-CB 3.24Å; A97-I101 PolarHBondContact O-N 3.49Å; I101-K103 PolarHBondContact O-N 3.37Å; I101-T104 WeakPolarHBondContact O-CB 3.33Å; I101-T104 WeakPolarHBondContact O-CG2 3.38Å; I101-T104 PolarHBondContact O-N 2.9Å; I101-T104 PolarHBondContact O-OG1 2.93Å; I101-I111 HydrophobicContact CG2-CD1 3.98Å
102N98.1Very high97.6Very high43 Ų4357.7 Ų57.723%0.2327%0.265CS..THydrogen-bonded Turntrans-53.9133.3173.1-162.65.6000110.4A97 M98 T104 T113A97-N102 PolarHBondContact O-N 3.15Å; M98-N102 VanDerWaalsContact O-CB 3.24Å; M98-N102 WeakPolarHBondContact O-CB 3.27Å; N102-T104 PolarHBondContact O-N 3.25Å; N102-T113 WeakPolarHBondContact CA-OG1 3.49Å; N102-T113 HydrophobicContact CB-CG2 4.48Å; N102-T113 WeakPolarHBondContact CB-OG1 3.45Å; N102-T113 PolarHBondContact ND2-O 3.07Å; N102-T113 PolarHBondContact OD1-N 3.18Å; N102-T113 PolarHBondContact OD1-O 2.64Å; N102-T113 PolarHBondContact OD1-OG1 2.85Å
103K97.9Very high97.6Very high122 Ų12253.1 Ų53.153%0.5324%0.241SC..THydrogen-bonded Turntrans65.415.8-179.9-49.4-61.6-175.2171.20115.3I101 I110 I111I101-K103 PolarHBondContact O-N 3.37Å; K103-I110 HydrophobicContact CB-CG2 4.13Å; K103-I110 HydrophobicContact CD-CG2 4.1Å; K103-I111 VanDerWaalsContact CA-O 3.27Å; K103-I111 WeakPolarHBondContact CA-O 3.39Å; K103-I111 PolarHBondContact N-O 2.89Å; K103-I111 VanDerWaalsContact N-O 3.09Å
104T98.3Very high97.6Very high45 Ų4553.4 Ų53.428%0.27624%0.242SC..  trans-81173.2166.867.50000111.4Y100 I101 N102 I110 I111Y100-T104 VanDerWaalsContact O-CG2 3.22Å; Y100-T104 WeakPolarHBondContact O-CG2 3.13Å; I101-T104 WeakPolarHBondContact O-CB 3.33Å; I101-T104 WeakPolarHBondContact O-CG2 3.38Å; I101-T104 PolarHBondContact O-N 2.9Å; I101-T104 PolarHBondContact O-OG1 2.93Å; N102-T104 PolarHBondContact O-N 3.25Å; T104-I110 WeakPolarHBondContact O-CA 3.33Å; T104-I111 PolarHBondContact O-N 3.38Å
105R97.6Very high97.6Very high160 Ų16053.5 Ų53.560%0.60424%0.242SC*.EExtended strand (participates in β ladder)trans-88.3139.9175.7-71.8178.5175.7-91.50.1111.6D108 R109 I110R105-D108 PolarHBondContact NH1-O 2.73Å; R105-R109 CarbonylContact C-O 3.54Å; R105-R109 VanDerWaalsContact CA-O 3.24Å; R105-R109 WeakPolarHBondContact CA-O 2.87Å; R105-I110 HydrophobicContact CG-CD1 3.55Å
106L97.9Very high97.6Very high21 Ų2152.7 Ų52.711%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-144.4129.6164.4-18061.9000107.7L47 T51 Q55 I56 L59 D108 R109 I111L47-L106 HydrophobicContact CD2-CD2 4.09Å; T51-L106 HydrophobicContact CG2-CD2 3.66Å; T51-L106 HydrophobicContact CG2-CG 4.23Å; Q55-L106 HydrophobicContact CB-CD1 4.29Å; I56-L106 HydrophobicContact CD1-CD2 3.58Å; L59-L106 HydrophobicContact CD2-CB 4.19Å; L59-L106 HydrophobicContact CD2-CD1 4.36Å; L59-L106 HydrophobicContact CD2-CD2 4.19Å; L59-L106 HydrophobicContact CD2-CG 4.5Å; L106-D108 PolarHBondContact O-N 3.38Å; L106-R109 PolarHBondContact N-O 2.63Å; L106-R109 WeakPolarHBondContact O-CB 3.08Å; L106-R109 PolarHBondContact O-N 3.3Å; L106-I111 HydrophobicContact CB-CG2 3.69Å; L106-I111 HydrophobicContact CD2-CG2 4.44Å
107D96.2Very high97.5Very high50 Ų5050.3 Ų50.327%0.26723%0.231SC..THydrogen-bonded Turntrans47.747.4-171.5-58.4-43000112T51 Q55 R109T51-D107 VanDerWaalsContact CA-OD2 3.26Å; T51-D107 WeakPolarHBondContact CA-OD2 3.25Å; T51-D107 VanDerWaalsContact CB-OD2 3.22Å; T51-D107 WeakPolarHBondContact CB-OD2 3.21Å; T51-D107 WeakPolarHBondContact CG2-OD2 3.24Å; T51-D107 PolarHBondContact OG1-OD2 2.97Å; Q55-D107 PolarHBondContact NE2-OD1 3.15Å; D107-R109 WeakPolarHBondContact O-CG 3.27Å; D107-R109 PolarHBondContact O-N 2.99Å
108D94.6Very high97.4Very high131 Ų13151.3 Ų51.370%0.70124%0.241SC*.THydrogen-bonded Turntrans60.27.2-176.1-65.7-44.5000116.9R105 L106R105-D108 PolarHBondContact NH1-O 2.73Å; L106-D108 PolarHBondContact O-N 3.38Å
109R96.6Very high97.4Very high26 Ų2651.4 Ų51.410%0.09824%0.241CC..EExtended strand (participates in β ladder)trans-105142.3177.8-56.4-179.573.682.31.2112.6N46 R105 L106 D107 I111 D143 E145N46-R109 WeakPolarHBondContact O-CD 3.06Å; N46-R109 PolarHBondContact O-NE 2.77Å; N46-R109 PolarHBondContact OD1-NH2 3.37Å; R105-R109 CarbonylContact C-O 3.54Å; R105-R109 VanDerWaalsContact CA-O 3.24Å; R105-R109 WeakPolarHBondContact CA-O 2.87Å; L106-R109 PolarHBondContact N-O 2.63Å; L106-R109 WeakPolarHBondContact O-CB 3.08Å; L106-R109 PolarHBondContact O-N 3.3Å; D107-R109 WeakPolarHBondContact O-CG 3.27Å; D107-R109 PolarHBondContact O-N 2.99Å; R109-I111 PolarHBondContact O-N 3.08Å; R109-D143 IonicContact CZ-OD1 2.74Å; R109-D143 IonicContact CZ-OD2 2.63Å; R109-D143 IonicContact NH1-OD1 3.48Å; R109-D143 PolarHBondContact NH1-OD1 3.11Å; R109-D143 IonicContact NH1-OD2 2.82Å; R109-D143 PolarHBondContact NH1-OD2 2.74Å; R109-D143 VanDerWaalsContact NH1-OD2 3.15Å; R109-D143 IonicContact NH2-OD1 3.51Å; R109-D143 IonicContact NH2-OD2 3.52Å; R109-D143 PolarHBondContact NH2-OD2 2.72Å; R109-E145 WeakPolarHBondContact CD-OE2 3.22Å; R109-E145 VanDerWaalsContact CG-OE2 3.29Å; R109-E145 WeakPolarHBondContact CG-OE2 3.39Å; R109-E145 IonicContact CZ-OE2 3.3Å; R109-E145 IonicContact NE-OE2 3.68Å; R109-E145 IonicContact NH1-OE2 2.99Å; R109-E145 PolarHBondContact NH1-OE2 3.09Å
110I97.9Very high97.3Very high72 Ų7251.5 Ų51.537%0.36925%0.246SC..EExtended strand (participates in β ladder)trans-76.4104.7171.1-57.4-63.2000109.4N46 K103 T104 R105N46-I110 PolarHBondContact ND2-O 3.48Å; K103-I110 HydrophobicContact CB-CG2 4.13Å; K103-I110 HydrophobicContact CD-CG2 4.1Å; T104-I110 WeakPolarHBondContact O-CA 3.33Å; R105-I110 HydrophobicContact CG-CD1 3.55Å
111I98.3Very high97.3Very high1 Ų151.3 Ų51.31%0.00525%0.251CS..  trans-73.9152.6179.766.2175000110.9L47 L59 F60 I101 K103 T104 L106 R109L47-I111 HydrophobicContact CD2-CB 4.42Å; L47-I111 HydrophobicContact CD2-CG2 3.68Å; L59-I111 HydrophobicContact CD2-CD1 3.72Å; F60-I111 HydrophobicContact CE2-CD1 3.92Å; F60-I111 HydrophobicContact CZ-CD1 3.97Å; I101-I111 HydrophobicContact CG2-CD1 3.98Å; K103-I111 VanDerWaalsContact CA-O 3.27Å; K103-I111 WeakPolarHBondContact CA-O 3.39Å; K103-I111 PolarHBondContact N-O 2.89Å; K103-I111 VanDerWaalsContact N-O 3.09Å; T104-I111 PolarHBondContact O-N 3.38Å; L106-I111 HydrophobicContact CB-CG2 3.69Å; L106-I111 HydrophobicContact CD2-CG2 4.44Å; R109-I111 PolarHBondContact O-N 3.08Å
112R98Very high97.2Very high46 Ų4652.2 Ų52.217%0.17426%0.263CS..EExtended strand (participates in β ladder)trans-116.5123.6174.5-173.517975-106-1.1108.9I44 G45 D114 R135I44-R112 CarbonylContact C-O 3.58Å; I44-R112 VanDerWaalsContact CA-O 3.31Å; I44-R112 WeakPolarHBondContact CA-O 3.49Å; G45-R112 PolarHBondContact N-O 3.41Å; G45-R112 PolarHBondContact O-N 3.43Å; R112-D114 WeakPolarHBondContact CD-OD2 3.21Å; R112-D114 IonicContact CZ-OD2 2.97Å; R112-D114 IonicContact NE-OD1 3.97Å; R112-D114 IonicContact NE-OD2 3.97Å; R112-D114 PolarHBondContact NE-OD2 3.3Å; R112-D114 IonicContact NH2-OD2 3.92Å; R112-R135 VanDerWaalsContact NH1-NH1 3.15Å
113T98.4Very high97.1Very high0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-104.4136.9169.668.10000108.8Y43 I44 F60 M98 N102Y43-T113 CarbonylContact O-C 3.45Å; Y43-T113 WeakPolarHBondContact O-CA 3.4Å; I44-T113 HydrophobicContact CG1-CG2 4.25Å; F60-T113 HydrophobicContact CE1-CG2 3.86Å; F60-T113 HydrophobicContact CZ-CG2 3.75Å; M98-T113 PolarHBondContact SD-OG1 2.99Å; N102-T113 WeakPolarHBondContact CA-OG1 3.49Å; N102-T113 HydrophobicContact CB-CG2 4.48Å; N102-T113 WeakPolarHBondContact CB-OG1 3.45Å; N102-T113 PolarHBondContact ND2-O 3.07Å; N102-T113 PolarHBondContact OD1-N 3.18Å; N102-T113 PolarHBondContact OD1-O 2.64Å; N102-T113 PolarHBondContact OD1-OG1 2.85Å
114D98.2Very high97.1Very high8 Ų845.9 Ų45.94%0.04323%0.234CC..EExtended strand (participates in β ladder)trans-136.8145.2-180-66.5-61.2000108.9S18 P19 Y20 L42 Y43 R112S18-D114 WeakPolarHBondContact OG-CB 3.43Å; P19-D114 VanDerWaalsContact CD-OD1 3.3Å; P19-D114 WeakPolarHBondContact CD-OD1 3.24Å; P19-D114 VanDerWaalsContact CG-OD1 3.25Å; P19-D114 WeakPolarHBondContact CG-OD1 3.23Å; Y20-D114 HydrophobicContact CG-CB 4.45Å; L42-D114 WeakPolarHBondContact CA-O 3.28Å; Y43-D114 HydrophobicContact CD1-CB 4.34Å; Y43-D114 PolarHBondContact N-O 3.3Å; Y43-D114 PolarHBondContact O-N 3.46Å; R112-D114 WeakPolarHBondContact CD-OD2 3.21Å; R112-D114 IonicContact CZ-OD2 2.97Å; R112-D114 IonicContact NE-OD1 3.97Å; R112-D114 IonicContact NE-OD2 3.97Å; R112-D114 PolarHBondContact NE-OD2 3.3Å; R112-D114 IonicContact NH2-OD2 3.92Å
115W98.1Very high97.1Very high1 Ų147.1 Ų47.10%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-62.5139.4172.9-63.1110.4000110.9F15 Y16 S18 L36 T39 L42 R91 A94 E95 M98F15-W115 HydrophobicContact CD1-CZ2 4.42Å; F15-W115 AromaticContact CE1-CZ2 3.69Å; F15-W115 HydrophobicContact CE1-CZ2 3.69Å; F15-W115 AromaticContact CZ-CZ2 4Å; F15-W115 HydrophobicContact CZ-CZ2 4Å; F15-W115 PolarHBondContact O-NE1 2.88Å; Y16-W115 HydrophobicContact CD1-CZ2 4.08Å; Y16-W115 HydrophobicContact CE1-CZ2 4.24Å; S18-W115 WeakPolarHBondContact CB-O 3.49Å; S18-W115 PolarHBondContact OG-O 3.39Å; L36-W115 HydrophobicContact CB-CB 4.31Å; L36-W115 HydrophobicContact CD2-CB 3.76Å; L36-W115 HydrophobicContact CG-CB 4.47Å; T39-W115 HydrophobicContact CG2-CE3 4Å; L42-W115 HydrophobicContact CD2-CD2 4.03Å; L42-W115 HydrophobicContact CD2-CE3 3.37Å; L42-W115 HydrophobicContact CD2-CH2 4.42Å; L42-W115 HydrophobicContact CD2-CZ3 3.6Å; R91-W115 VanDerWaalsContact CZ-CH2 3.46Å; R91-W115 VanDerWaalsContact CZ-CZ3 3.4Å; A94-W115 HydrophobicContact CB-CH2 4.11Å; A94-W115 HydrophobicContact CB-CZ3 3.68Å; E95-W115 HydrophobicContact CB-CH2 4.34Å; E95-W115 HydrophobicContact CG-CH2 3.62Å; E95-W115 HydrophobicContact CG-CZ2 4.07Å; M98-W115 HydrophobicContact CB-CH2 4.38Å; M98-W115 HydrophobicContact CB-CZ2 3.91Å; M98-W115 HydrophobicContact CE-CG 4.34Å; M98-W115 HydrophobicContact CG-CD2 4.1Å; M98-W115 HydrophobicContact CG-CE3 4.37Å; M98-W115 HydrophobicContact CG-CH2 3.85Å; M98-W115 HydrophobicContact CG-CZ2 3.56Å; M98-W115 HydrophobicContact CG-CZ3 4.25Å
116D98Very high97.1Very high5 Ų539.7 Ų39.73%0.02721%0.206CC..  trans-128.4140.1178.5-176.2-93.9000111.2Y20 T39 T41 G118 R123Y20-D116 VanDerWaalsContact CE1-OD2 3.29Å; Y20-D116 WeakPolarHBondContact CE1-OD2 3.24Å; T39-D116 WeakPolarHBondContact CB-O 3.45Å; T39-D116 WeakPolarHBondContact CG2-O 3.42Å; T39-D116 PolarHBondContact OG1-O 2.96Å; T41-D116 HydrophobicContact CG2-CB 4.03Å; T41-D116 PolarHBondContact O-N 2.73Å; T41-D116 VanDerWaalsContact O-N 3.09Å; D116-G118 PolarHBondContact O-N 3.11Å; D116-G118 VanDerWaalsContact O-N 3.08Å; D116-G118 PolarHBondContact OD1-N 2.75Å; D116-R123 IonicContact OD1-CZ 3.41Å; D116-R123 IonicContact OD1-NH1 3.37Å; D116-R123 PolarHBondContact OD1-NH1 3.5Å; D116-R123 IonicContact OD1-NH2 3.09Å; D116-R123 IonicContact OD2-CZ 3.87Å; D116-R123 IonicContact OD2-NH1 3.44Å; D116-R123 PolarHBondContact OD2-NH1 2.74Å; D116-R123 IonicContact OD2-NH2 3.48Å; D116-R123 PolarHBondContact OD2-NH2 3.42Å
117A96.5Very high97Very high28 Ų2842 Ų4223%0.23121%0.214CC..SBendtrans-69.8-6.1-17300000114.7F27 L32 C35F27-A117 HydrophobicContact CD2-CB 4.3Å; F27-A117 HydrophobicContact CE2-CB 3.94Å; L32-A117 HydrophobicContact CD1-CB 4.07Å; C35-A117 HydrophobicContact CB-CB 3.98Å
118G95.7Very high97Very high21 Ų2139.7 Ų39.722%0.21620%0.202CC..  trans132.2138178.600000111.4D116 R123D116-G118 PolarHBondContact O-N 3.11Å; D116-G118 VanDerWaalsContact O-N 3.08Å; D116-G118 PolarHBondContact OD1-N 2.75Å; G118-R123 PolarHBondContact O-NH1 3.49Å
119F96.7Very high97Very high21 Ų2143.9 Ų43.99%0.09221%0.208CC..  trans-75.2133.6179.3179.7-93.2000112.2T41 I70 F85 R123 Q124T41-F119 HydrophobicContact CG2-CB 4.31Å; I70-F119 HydrophobicContact CB-CD2 4.4Å; I70-F119 HydrophobicContact CB-CE2 4.1Å; I70-F119 HydrophobicContact CB-CZ 4.31Å; I70-F119 HydrophobicContact CD1-CB 4.42Å; I70-F119 HydrophobicContact CD1-CD1 4.21Å; I70-F119 HydrophobicContact CD1-CD2 4.28Å; I70-F119 HydrophobicContact CD1-CG 4.02Å; I70-F119 HydrophobicContact CG1-CD1 4.19Å; I70-F119 HydrophobicContact CG1-CD2 4.3Å; I70-F119 HydrophobicContact CG1-CE1 4.12Å; I70-F119 HydrophobicContact CG1-CE2 4.23Å; I70-F119 HydrophobicContact CG1-CG 4.28Å; I70-F119 HydrophobicContact CG1-CZ 4.16Å; I70-F119 HydrophobicContact CG2-CD2 4.45Å; I70-F119 HydrophobicContact CG2-CE1 4.37Å; I70-F119 HydrophobicContact CG2-CE2 3.68Å; I70-F119 HydrophobicContact CG2-CZ 3.65Å; F85-F119 HydrophobicContact CB-CD2 4.28Å; F85-F119 HydrophobicContact CD1-CD2 4.47Å; F85-F119 AromaticContact CD2-CD2 3.51Å; F85-F119 HydrophobicContact CD2-CD2 3.51Å; F85-F119 AromaticContact CD2-CE2 3.74Å; F85-F119 HydrophobicContact CD2-CE2 3.74Å; F85-F119 AromaticContact CE2-CD2 3.84Å; F85-F119 HydrophobicContact CE2-CD2 3.84Å; F85-F119 AromaticContact CE2-CE2 3.89Å; F85-F119 HydrophobicContact CE2-CE2 3.89Å; F85-F119 AromaticContact CG-CD2 3.85Å; F85-F119 HydrophobicContact CG-CD2 3.85Å; F85-F119 HydrophobicContact CZ-CD2 4.46Å; F119-R123 HydrophobicContact CD2-CB 4.25Å; F119-R123 HydrophobicContact CE2-CB 3.93Å; F119-Q124 HydrophobicContact CE2-CB 4.35Å; F119-Q124 HydrophobicContact CZ-CB 4.39Å
120E95.7Very high96.9Very high115 Ų11544.4 Ų44.454%0.53722%0.215SC..  trans-124.5146.4173.7-63.8172.2-172.300109.4G122 R123E120-G122 PolarHBondContact O-N 3.41Å; E120-R123 HydrophobicContact CB-CG 4.11Å; E120-R123 VanDerWaalsContact O-CB 3.24Å; E120-R123 WeakPolarHBondContact O-CB 3.17Å; E120-R123 VanDerWaalsContact O-CG 3.23Å; E120-R123 WeakPolarHBondContact O-CG 3.44Å; E120-R123 PolarHBondContact O-N 2.8Å; E120-R123 VanDerWaalsContact O-N 3.11Å
121E96Very high96.8Very high151 Ų15141 Ų4171%0.70620%0.198SC*.THydrogen-bonded Turntrans-59.4138.2-179.4-173.253.5-138.700111.6R123 Q124E121-R123 VanDerWaalsContact C-N 3.34Å; E121-Q124 PolarHBondContact OE1-NE2 3.04Å
122G96.4Very high96.7Very high30 Ų3041.3 Ų41.331%0.30920%0.201SC..THydrogen-bonded Turntrans90.1-13.3-173.600000114.4E120 Q124 Y125E120-G122 PolarHBondContact O-N 3.41Å; G122-Q124 VanDerWaalsContact C-N 3.25Å; G122-Q124 PolarHBondContact O-N 3.35Å; G122-Y125 PolarHBondContact O-N 2.72Å
123R97.3Very high96.6Very high16 Ų1640 Ų406%0.0620%0.197CC..THydrogen-bonded Turntrans-72.8-16.3175.3-64.6-17566.4-138.5-9.4113.5Y20 D22 F85 D116 G118 F119 E120 E121 Y125Y20-R123 PolarHBondContact OH-NH2 3.22Å; D22-R123 IonicContact OD2-CZ 3.92Å; D22-R123 IonicContact OD2-NE 3.69Å; D22-R123 PolarHBondContact OD2-NE 3.39Å; D22-R123 IonicContact OD2-NH2 2.7Å; D22-R123 PolarHBondContact OD2-NH2 3.34Å; F85-R123 HydrophobicContact CE2-CB 4.26Å; F85-R123 HydrophobicContact CZ-CB 4.24Å; D116-R123 IonicContact OD1-CZ 3.41Å; D116-R123 IonicContact OD1-NH1 3.37Å; D116-R123 PolarHBondContact OD1-NH1 3.5Å; D116-R123 IonicContact OD1-NH2 3.09Å; D116-R123 IonicContact OD2-CZ 3.87Å; D116-R123 IonicContact OD2-NH1 3.44Å; D116-R123 PolarHBondContact OD2-NH1 2.74Å; D116-R123 IonicContact OD2-NH2 3.48Å; D116-R123 PolarHBondContact OD2-NH2 3.42Å; G118-R123 PolarHBondContact O-NH1 3.49Å; F119-R123 HydrophobicContact CD2-CB 4.25Å; F119-R123 HydrophobicContact CE2-CB 3.93Å; E120-R123 HydrophobicContact CB-CG 4.11Å; E120-R123 VanDerWaalsContact O-CB 3.24Å; E120-R123 WeakPolarHBondContact O-CB 3.17Å; E120-R123 VanDerWaalsContact O-CG 3.23Å; E120-R123 WeakPolarHBondContact O-CG 3.44Å; E120-R123 PolarHBondContact O-N 2.8Å; E120-R123 VanDerWaalsContact O-N 3.11Å; E121-R123 VanDerWaalsContact C-N 3.34Å; R123-Y125 PolarHBondContact O-N 3.2Å
124Q98Very high96.4Very high16 Ų1642.7 Ų42.78%0.07521%0.213CC..THydrogen-bonded Turntrans-65.4-21.6174.374.8-83.429.500112.7I70 G72 L73 F83 F119 E121 G122I70-Q124 HydrophobicContact CG2-CB 3.75Å; G72-Q124 CarbonylContact C-O 3.36Å; G72-Q124 VanDerWaalsContact CA-O 3.28Å; G72-Q124 WeakPolarHBondContact CA-O 3.47Å; L73-Q124 PolarHBondContact N-O 2.95Å; F83-Q124 WeakPolarHBondContact CZ-O 3.49Å; F119-Q124 HydrophobicContact CE2-CB 4.35Å; F119-Q124 HydrophobicContact CZ-CB 4.39Å; E121-Q124 PolarHBondContact OE1-NE2 3.04Å; G122-Q124 VanDerWaalsContact C-N 3.25Å; G122-Q124 PolarHBondContact O-N 3.35Å
125Y98.2Very high96.2Very high71 Ų7150.2 Ų50.228%0.27824%0.241SC..BIsolated β-bridgetrans-85.5131.2-176.9-58.3-61.1000113L73 K78 G122 R123L73-Y125 HydrophobicContact CB-CD1 4.3Å; L73-Y125 CarbonylContact O-C 3.53Å; L73-Y125 VanDerWaalsContact O-CA 3.32Å; L73-Y125 WeakPolarHBondContact O-CA 3.3Å; K78-Y125 HydrophobicContact CD-CD1 4.46Å; K78-Y125 HydrophobicContact CD-CE1 3.85Å; G122-Y125 PolarHBondContact O-N 2.72Å; R123-Y125 PolarHBondContact O-N 3.2Å
126G97.1Very high95.9Very high3 Ų351 Ų513%0.03125%0.245CC..  trans-52.2143.1169.300000111.8L73 R75 G131 G132L73-G126 PolarHBondContact O-N 2.8Å; R75-G126 PolarHBondContact NH1-O 3.32Å; G126-G131 CarbonylContact C-O 3.37Å; G126-G131 VanDerWaalsContact CA-O 3.31Å; G126-G131 WeakPolarHBondContact CA-O 3.41Å; G126-G132 CarbonylContact C-O 3.26Å; G126-G132 VanDerWaalsContact C-O 3.26Å; G126-G132 VanDerWaalsContact CA-O 3.31Å; G126-G132 WeakPolarHBondContact CA-O 3.37Å
127R96Very high95.7Very high71 Ų7151.4 Ų51.427%0.26825%0.247SC..  trans-113.34.7-171.7-61.7-176.1-174.6165.11.5114.1D22 G132 V134D22-R127 IonicContact OD1-CZ 2.67Å; D22-R127 IonicContact OD1-NH1 3.94Å; D22-R127 PolarHBondContact OD1-NH1 3.3Å; D22-R127 IonicContact OD1-NH2 3.79Å; D22-R127 PolarHBondContact OD1-NH2 2.63Å; D22-R127 IonicContact OD2-CZ 3.04Å; D22-R127 IonicContact OD2-NH1 3.56Å; D22-R127 PolarHBondContact OD2-NH1 2.84Å; D22-R127 IonicContact OD2-NH2 3.92Å; D22-R127 PolarHBondContact OD2-NH2 2.92Å; R127-G132 PolarHBondContact N-O 3.01Å; R127-V134 HydrophobicContact CB-CG2 4.24Å
128G95.4Very high95.5Very high1 Ų156.4 Ų56.41%0.0126%0.264CS..SBendtrans-61.3159.3168.600000111.7R75 S130 G131 G132 E137R75-G128 PolarHBondContact NH1-O 3.09Å; R75-G128 VanDerWaalsContact NH1-O 3.09Å; R75-G128 PolarHBondContact NH2-O 3.36Å; G128-S130 VanDerWaalsContact C-N 3.29Å; G128-G131 PolarHBondContact O-N 2.97Å; G128-G131 VanDerWaalsContact O-N 3.13Å; G128-G132 WeakPolarHBondContact CA-O 3.31Å; G128-G132 PolarHBondContact N-O 3.48Å; G128-E137 WeakPolarHBondContact CA-OE1 3Å; G128-E137 VanDerWaalsContact CA-OE2 3.28Å; G128-E137 WeakPolarHBondContact CA-OE2 3.32Å
129R95.3Very high95.4Very high219 Ų21957.2 Ų57.283%0.82626%0.26SS*.SBendtrans-57.4-43.2171.3-66.6-177.7176.1-179.6-1.3111.7G131 E137R129-G131 PolarHBondContact O-N 3.14Å; R129-E137 WeakPolarHBondContact CA-OE1 3.45Å; R129-E137 PolarHBondContact N-OE1 3.03Å; R129-E137 PolarHBondContact N-OE2 3.3Å
130S93.7Very high95.1Very high37 Ų3764.7 Ų64.726%0.25929%0.293SS..SBendtrans-65.5-21175.557.50000113.7H74 F76 G128 E137H74-S130 PolarHBondContact CE1-O 3.37Å; H74-S130 PolarHBondContact NE2-O 2.63Å; F76-S130 WeakPolarHBondContact CD2-O 3.42Å; F76-S130 VanDerWaalsContact CE2-O 3.28Å; F76-S130 WeakPolarHBondContact CE2-O 3.4Å; G128-S130 VanDerWaalsContact C-N 3.29Å; S130-E137 WeakPolarHBondContact CB-OE1 3.43Å; S130-E137 PolarHBondContact N-OE1 3.43Å; S130-E137 PolarHBondContact OG-OE1 3.3Å
131G95.7Very high95Very high0 Ų065.1 Ų65.10%030%0.299CS..SBendtrans108.2-18.9-175.100000113.7H74 R75 G126 G128 R129H74-G131 WeakPolarHBondContact CA-O 3.46Å; R75-G131 PolarHBondContact N-O 2.68Å; G126-G131 CarbonylContact C-O 3.37Å; G126-G131 VanDerWaalsContact CA-O 3.31Å; G126-G131 WeakPolarHBondContact CA-O 3.41Å; G128-G131 PolarHBondContact O-N 2.97Å; G128-G131 VanDerWaalsContact O-N 3.13Å; R129-G131 PolarHBondContact O-N 3.14Å
132G96.2Very high94.8Very high7 Ų764.8 Ų64.87%0.07229%0.292CS..SBendtrans-81.6-161.3177.500000113.8H74 G126 R127 G128H74-G132 WeakPolarHBondContact CD2-CA 3.31Å; H74-G132 PolarHBondContact CD2-N 2.82Å; H74-G132 PolarHBondContact NE2-N 2.74Å; G126-G132 CarbonylContact C-O 3.26Å; G126-G132 VanDerWaalsContact C-O 3.26Å; G126-G132 VanDerWaalsContact CA-O 3.31Å; G126-G132 WeakPolarHBondContact CA-O 3.37Å; R127-G132 PolarHBondContact N-O 3.01Å; G128-G132 WeakPolarHBondContact CA-O 3.31Å; G128-G132 PolarHBondContact N-O 3.48Å
133Q95.9Very high94.7Very high18 Ų1864.9 Ų64.98%0.08429%0.285CS..  trans-72.4137.3173.5-54.9-164.8-87.600110.7Y43 C81 G82 F83 R135 D136 E137Y43-Q133 PolarHBondContact OH-NE2 2.76Å; C81-Q133 VanDerWaalsContact O-CD 3.29Å; C81-Q133 WeakPolarHBondContact O-CG 3.45Å; C81-Q133 PolarHBondContact O-OE1 3.47Å; C81-Q133 VanDerWaalsContact O-OE1 3.08Å; G82-Q133 PolarHBondContact O-OE1 3.47Å; F83-Q133 VanDerWaalsContact CD1-CD 3.46Å; F83-Q133 HydrophobicContact CD1-CG 3.68Å; F83-Q133 VanDerWaalsContact CD1-NE2 3.27Å; F83-Q133 HydrophobicContact CE1-CG 4.09Å; Q133-R135 PolarHBondContact O-N 3.49Å; Q133-R135 VanDerWaalsContact O-N 3.14Å; Q133-D136 PolarHBondContact O-N 2.69Å; Q133-E137 PolarHBondContact O-N 3.44Å
134V94.9Very high94.5Very high57 Ų5767 Ų6735%0.34531%0.306SS..Hα-helixtrans-52.3-39.5174.6-179.80000110.9R127 D136 E137 F138R127-V134 HydrophobicContact CB-CG2 4.24Å; V134-D136 VanDerWaalsContact C-N 3.3Å; V134-D136 PolarHBondContact O-N 3.33Å; V134-E137 WeakPolarHBondContact O-CB 3.3Å; V134-E137 PolarHBondContact O-N 2.87Å; V134-E137 VanDerWaalsContact O-N 3.13Å; V134-F138 HydrophobicContact CG1-CD2 4.16Å; V134-F138 HydrophobicContact CG1-CE2 3.81Å; V134-F138 VanDerWaalsContact O-CD2 3.26Å; V134-F138 WeakPolarHBondContact O-CD2 3.46Å
135R92.8Very high94.2Very high167 Ų16769.3 Ų69.363%0.6332%0.317SS*.Hα-helixtrans-59.9-38.2178.6-177.3176175.8152.5-2.2113R112 Q133 E137 F138 R139R112-R135 VanDerWaalsContact NH1-NH1 3.15Å; Q133-R135 PolarHBondContact O-N 3.49Å; Q133-R135 VanDerWaalsContact O-N 3.14Å; R135-E137 VanDerWaalsContact C-N 3.25Å; R135-E137 PolarHBondContact O-N 3.06Å; R135-F138 PolarHBondContact O-N 2.8Å; R135-R139 PolarHBondContact O-N 2.79Å
136D93.3Very high94Very high16 Ų1666.4 Ų66.49%0.08631%0.306CS..Hα-helixtrans-72.5-21.5-179.5-64.4-33.4000111.4Q133 V134 R139 R146 G150Q133-D136 PolarHBondContact O-N 2.69Å; V134-D136 VanDerWaalsContact C-N 3.3Å; V134-D136 PolarHBondContact O-N 3.33Å; D136-R139 IonicContact OD1-NH1 3.56Å; D136-R139 PolarHBondContact OD1-NH1 3Å; D136-R139 VanDerWaalsContact OD1-NH1 3.09Å; D136-R146 IonicContact OD1-CZ 3.12Å; D136-R146 IonicContact OD1-NE 2.73Å; D136-R146 PolarHBondContact OD1-NE 2.9Å; D136-R146 IonicContact OD1-NH2 2.71Å; D136-R146 PolarHBondContact OD1-NH2 2.91Å; D136-R146 IonicContact OD2-CZ 3.99Å; D136-R146 IonicContact OD2-NE 2.67Å; D136-R146 IonicContact OD2-NH2 3.1Å; D136-R146 PolarHBondContact OD2-NH2 3.03Å; D136-G150 WeakPolarHBondContact O-CA 3.48Å
137E92.4Very high93.7Very high14 Ų1468.3 Ų68.37%0.06533%0.325CS..Hα-helixtrans-68.5-36.4176.6-52.9-164.6136.100112.7G128 R129 S130 Q133 V134 R135 K151 L152G128-E137 WeakPolarHBondContact CA-OE1 3Å; G128-E137 VanDerWaalsContact CA-OE2 3.28Å; G128-E137 WeakPolarHBondContact CA-OE2 3.32Å; R129-E137 WeakPolarHBondContact CA-OE1 3.45Å; R129-E137 PolarHBondContact N-OE1 3.03Å; R129-E137 PolarHBondContact N-OE2 3.3Å; S130-E137 WeakPolarHBondContact CB-OE1 3.43Å; S130-E137 PolarHBondContact N-OE1 3.43Å; S130-E137 PolarHBondContact OG-OE1 3.3Å; Q133-E137 PolarHBondContact O-N 3.44Å; V134-E137 WeakPolarHBondContact O-CB 3.3Å; V134-E137 PolarHBondContact O-N 2.87Å; V134-E137 VanDerWaalsContact O-N 3.13Å; R135-E137 VanDerWaalsContact C-N 3.25Å; R135-E137 PolarHBondContact O-N 3.06Å; E137-K151 PolarHBondContact O-N 2.92Å; E137-L152 PolarHBondContact O-N 3.15Å
138F92.9Very high93.5Very high133 Ų13365.2 Ų65.258%0.58332%0.315SS*.THydrogen-bonded Turntrans-974.2-177.1-62.6-82.4000113.5V134 R135 K140 L152V134-F138 HydrophobicContact CG1-CD2 4.16Å; V134-F138 HydrophobicContact CG1-CE2 3.81Å; V134-F138 VanDerWaalsContact O-CD2 3.26Å; V134-F138 WeakPolarHBondContact O-CD2 3.46Å; R135-F138 PolarHBondContact O-N 2.8Å; F138-K140 PolarHBondContact O-N 3.47Å; F138-L152 HydrophobicContact CD1-CD1 3.43Å; F138-L152 VanDerWaalsContact CD1-CD1 3.43Å; F138-L152 HydrophobicContact CE1-CD1 3.39Å; F138-L152 HydrophobicContact CG-CD1 4.18Å; F138-L152 HydrophobicContact CZ-CD1 4.1Å
139R92.9Very high93.4Very high39 Ų3970.9 Ų70.915%0.14734%0.337CS..  trans-67.3129.3178.8-174.1177.163.3-128.2-2.2110.1R135 D136 D141 R146 G148 G150R135-R139 PolarHBondContact O-N 2.79Å; D136-R139 IonicContact OD1-NH1 3.56Å; D136-R139 PolarHBondContact OD1-NH1 3Å; D136-R139 VanDerWaalsContact OD1-NH1 3.09Å; R139-D141 WeakPolarHBondContact CD-O 3.18Å; R139-D141 WeakPolarHBondContact CG-O 3.28Å; R139-D141 PolarHBondContact NE-O 3.44Å; R139-R146 PolarHBondContact NH2-O 3.38Å; R139-G148 PolarHBondContact NH2-O 3.43Å; R139-G150 WeakPolarHBondContact O-CA 3.35Å; R139-G150 PolarHBondContact O-N 3.42Å
140K92.1Very high93.2Very high177 Ų17760.5 Ų60.577%0.7730%0.298SS*.  trans-92.7-31.8176.3-64.7-175.3178.3-175.70112.8F138 Y149F138-K140 PolarHBondContact O-N 3.47Å; K140-Y149 VanDerWaalsContact O-CD1 3.28Å; K140-Y149 WeakPolarHBondContact O-CD1 3.48Å; K140-Y149 WeakPolarHBondContact O-CE1 3.28Å
141D92Very high92.9Very high124 Ų12463.5 Ų63.566%0.66331%0.306SS*.SBendtrans-76.2143.6-179.8-51.1-47.5000111.1R139R139-D141 WeakPolarHBondContact CD-O 3.18Å; R139-D141 WeakPolarHBondContact CG-O 3.28Å; R139-D141 PolarHBondContact NE-O 3.44Å
142Y92.7Very high92.4Very high145 Ų14566.6 Ų66.657%0.56932%0.323SS*.  trans-72.8129.7173.4-174.9-96.6000110.3A144 G148 Y149Y142-A144 HydrophobicContact CE1-CB 3.92Å; Y142-G148 VanDerWaalsContact CE2-CA 3.47Å; Y142-Y149 HydrophobicContact CD2-CD1 4.4Å; Y142-Y149 AromaticContact CD2-CD2 3.64Å; Y142-Y149 HydrophobicContact CD2-CD2 3.64Å; Y142-Y149 HydrophobicContact CD2-CE1 4.38Å; Y142-Y149 AromaticContact CD2-CE2 3.59Å; Y142-Y149 HydrophobicContact CD2-CE2 3.59Å; Y142-Y149 HydrophobicContact CD2-CG 4.05Å; Y142-Y149 AromaticContact CD2-CZ 3.99Å; Y142-Y149 HydrophobicContact CE2-CD2 4.36Å; Y142-Y149 HydrophobicContact CE2-CE2 4.41Å; Y142-Y149 HydrophobicContact CG-CE2 4.35Å
143D93.9Very high92Very high31 Ų3168.3 Ų68.317%0.16634%0.336CS..BIsolated β-bridgetrans-140.398.6178.2-171.3-22000109.3R109 E145 R146 G147 G148R109-D143 IonicContact CZ-OD1 2.74Å; R109-D143 IonicContact CZ-OD2 2.63Å; R109-D143 IonicContact NH1-OD1 3.48Å; R109-D143 PolarHBondContact NH1-OD1 3.11Å; R109-D143 IonicContact NH1-OD2 2.82Å; R109-D143 PolarHBondContact NH1-OD2 2.74Å; R109-D143 VanDerWaalsContact NH1-OD2 3.15Å; R109-D143 IonicContact NH2-OD1 3.51Å; R109-D143 IonicContact NH2-OD2 3.52Å; R109-D143 PolarHBondContact NH2-OD2 2.72Å; D143-E145 VanDerWaalsContact C-N 3.26Å; D143-E145 PolarHBondContact O-N 3.39Å; D143-E145 PolarHBondContact OD1-N 2.7Å; D143-R146 HydrophobicContact CB-CB 4.04Å; D143-R146 HydrophobicContact CB-CG 4.28Å; D143-R146 VanDerWaalsContact CG-CG 3.41Å; D143-R146 CarbonylContact O-C 3.5Å; D143-R146 PolarHBondContact O-N 3.18Å; D143-R146 WeakPolarHBondContact OD2-CG 3.43Å; D143-G147 PolarHBondContact O-N 3.13Å; D143-G148 PolarHBondContact N-O 2.7Å; D143-G148 WeakPolarHBondContact O-CA 3.26Å; D143-G148 PolarHBondContact O-N 3.44Å
144A93.2Very high91.4Very high60 Ų6070.6 Ų70.650%0.49635%0.347SS..G310 helixtrans-57.5-39.1-175.200000112.3Y142 R146 G147Y142-A144 HydrophobicContact CE1-CB 3.92Å; A144-R146 PolarHBondContact O-N 2.79Å; A144-G147 PolarHBondContact O-N 3.34Å
145E92.3Very high90.6Very high65 Ų6576.9 Ų76.930%0.30436%0.364SS..G310 helixtrans-73.3-6.2-179.9-61.7178.616300113.5F49 R109 D143F49-E145 WeakPolarHBondContact CB-O 3.07Å; F49-E145 WeakPolarHBondContact CG-O 3.41Å; F49-E145 PolarHBondContact N-O 3.06Å; R109-E145 WeakPolarHBondContact CD-OE2 3.22Å; R109-E145 VanDerWaalsContact CG-OE2 3.29Å; R109-E145 WeakPolarHBondContact CG-OE2 3.39Å; R109-E145 IonicContact CZ-OE2 3.3Å; R109-E145 IonicContact NE-OE2 3.68Å; R109-E145 IonicContact NH1-OE2 2.99Å; R109-E145 PolarHBondContact NH1-OE2 3.09Å; D143-E145 VanDerWaalsContact C-N 3.26Å; D143-E145 PolarHBondContact O-N 3.39Å; D143-E145 PolarHBondContact OD1-N 2.7Å
146R93.2Very high90Very high11 Ų1175.4 Ų75.44%0.04237%0.369CS..G310 helixtrans-125.927.7178.9-54.7-83-76.6-151.95.4111.1N46 L47 F49 G82 D136 R139 D143 A144N46-R146 VanDerWaalsContact C-NH1 3.35Å; L47-R146 VanDerWaalsContact N-NH1 3.18Å; L47-R146 VanDerWaalsContact O-CD 3.24Å; L47-R146 WeakPolarHBondContact O-CD 3.11Å; L47-R146 PolarHBondContact O-NH1 3.13Å; F49-R146 HydrophobicContact CE1-CB 4.18Å; F49-R146 HydrophobicContact CE1-CG 4.46Å; F49-R146 HydrophobicContact CE2-CB 4.41Å; F49-R146 WeakPolarHBondContact CE2-O 3.45Å; F49-R146 HydrophobicContact CZ-CB 4.08Å; G82-R146 PolarHBondContact O-NH1 2.71Å; D136-R146 IonicContact OD1-CZ 3.12Å; D136-R146 IonicContact OD1-NE 2.73Å; D136-R146 PolarHBondContact OD1-NE 2.9Å; D136-R146 IonicContact OD1-NH2 2.71Å; D136-R146 PolarHBondContact OD1-NH2 2.91Å; D136-R146 IonicContact OD2-CZ 3.99Å; D136-R146 IonicContact OD2-NE 2.67Å; D136-R146 IonicContact OD2-NH2 3.1Å; D136-R146 PolarHBondContact OD2-NH2 3.03Å; R139-R146 PolarHBondContact NH2-O 3.38Å; D143-R146 HydrophobicContact CB-CB 4.04Å; D143-R146 HydrophobicContact CB-CG 4.28Å; D143-R146 VanDerWaalsContact CG-CG 3.41Å; D143-R146 CarbonylContact O-C 3.5Å; D143-R146 PolarHBondContact O-N 3.18Å; D143-R146 WeakPolarHBondContact OD2-CG 3.43Å; A144-R146 PolarHBondContact O-N 2.79Å
147G90.8Very high88.7Confident43 Ų4378 Ų7844%0.44340%0.399SS..THydrogen-bonded Turntrans78.921.5174.100000115.8D143 A144 Q154D143-G147 PolarHBondContact O-N 3.13Å; A144-G147 PolarHBondContact O-N 3.34Å; G147-Q154 PolarHBondContact O-NE2 3.37Å; G147-Q154 VanDerWaalsContact O-NE2 3.11Å
148G92.8Very high86.8Confident6 Ų687.8 Ų87.86%0.06245%0.445CS..BIsolated β-bridgetrans90-135.2174.300000113.9R139 Y142 D143R139-G148 PolarHBondContact NH2-O 3.43Å; Y142-G148 VanDerWaalsContact CE2-CA 3.47Å; D143-G148 PolarHBondContact N-O 2.7Å; D143-G148 WeakPolarHBondContact O-CA 3.26Å; D143-G148 PolarHBondContact O-N 3.44Å
149Y92.8Very high86.5Confident120 Ų12085.6 Ų85.647%0.47144%0.438SS..SBendtrans-66.7164.7174.4-73.7-68.2000112K140 Y142 Q154K140-Y149 VanDerWaalsContact O-CD1 3.28Å; K140-Y149 WeakPolarHBondContact O-CD1 3.48Å; K140-Y149 WeakPolarHBondContact O-CE1 3.28Å; Y142-Y149 HydrophobicContact CD2-CD1 4.4Å; Y142-Y149 AromaticContact CD2-CD2 3.64Å; Y142-Y149 HydrophobicContact CD2-CD2 3.64Å; Y142-Y149 HydrophobicContact CD2-CE1 4.38Å; Y142-Y149 AromaticContact CD2-CE2 3.59Å; Y142-Y149 HydrophobicContact CD2-CE2 3.59Å; Y142-Y149 HydrophobicContact CD2-CG 4.05Å; Y142-Y149 AromaticContact CD2-CZ 3.99Å; Y142-Y149 HydrophobicContact CE2-CD2 4.36Å; Y142-Y149 HydrophobicContact CE2-CE2 4.41Å; Y142-Y149 HydrophobicContact CG-CE2 4.35Å; Y149-Q154 PolarHBondContact O-NE2 2.67Å
150G90.1Very high86.1Confident0 Ų088 Ų880%045%0.454CS..  trans-63.8153.8171.300000112.2D136 R139 L152 A153 Q154D136-G150 WeakPolarHBondContact O-CA 3.48Å; R139-G150 WeakPolarHBondContact O-CA 3.35Å; R139-G150 PolarHBondContact O-N 3.42Å; G150-L152 PolarHBondContact O-N 3.43Å; G150-L152 VanDerWaalsContact O-N 3.17Å; G150-A153 PolarHBondContact O-N 3.07Å; G150-Q154 PolarHBondContact O-N 3.17Å
151K87.4Confident85.8Confident101 Ų10183.1 Ų83.144%0.43944%0.436SS..Hα-helixtrans-60.2-29-173.6-67.5-64.6178.2-171.20114.3E137 R155E137-K151 PolarHBondContact O-N 2.92Å; K151-R155 PolarHBondContact O-N 3.33Å
152L86.4Confident85.4Confident65 Ų6580.6 Ų80.634%0.3442%0.423SS..Hα-helixtrans-71.5-44.7173.5-68.8169.5000111.7E137 F138 G150 Q154 R155 D156E137-L152 PolarHBondContact O-N 3.15Å; F138-L152 HydrophobicContact CD1-CD1 3.43Å; F138-L152 VanDerWaalsContact CD1-CD1 3.43Å; F138-L152 HydrophobicContact CE1-CD1 3.39Å; F138-L152 HydrophobicContact CG-CD1 4.18Å; F138-L152 HydrophobicContact CZ-CD1 4.1Å; G150-L152 PolarHBondContact O-N 3.43Å; G150-L152 VanDerWaalsContact O-N 3.17Å; L152-Q154 VanDerWaalsContact C-N 3.33Å; L152-Q154 PolarHBondContact O-N 3.05Å; L152-R155 WeakPolarHBondContact O-CB 3.28Å; L152-R155 PolarHBondContact O-N 3.31Å; L152-R155 VanDerWaalsContact O-N 3.12Å; L152-D156 PolarHBondContact O-N 3.04Å
153A86.6Confident85Confident43 Ų4376.6 Ų76.636%0.35541%0.413SS..Hα-helixtrans-66.7-32.4177.600000113G150 R155 G157G150-A153 PolarHBondContact O-N 3.07Å; A153-R155 VanDerWaalsContact C-N 3.3Å; A153-G157 PolarHBondContact O-N 3.12Å
154Q83.4Confident84.4Confident66 Ų6679.7 Ų79.731%0.30843%0.43SS..Hα-helixtrans-62.2-38.7171.7-69.4-178.938.600111.4G147 Y149 G150 L152G147-Q154 PolarHBondContact O-NE2 3.37Å; G147-Q154 VanDerWaalsContact O-NE2 3.11Å; Y149-Q154 PolarHBondContact O-NE2 2.67Å; G150-Q154 PolarHBondContact O-N 3.17Å; L152-Q154 VanDerWaalsContact C-N 3.33Å; L152-Q154 PolarHBondContact O-N 3.05Å
155R79.7Confident83.7Confident189 Ų18981.1 Ų81.171%0.71343%0.425SS*.Hα-helixtrans-73.6-35.8-179.6-174.2-178179.1-174.1-0.4113.1K151 L152 A153 G157K151-R155 PolarHBondContact O-N 3.33Å; L152-R155 WeakPolarHBondContact O-CB 3.28Å; L152-R155 PolarHBondContact O-N 3.31Å; L152-R155 VanDerWaalsContact O-N 3.12Å; A153-R155 VanDerWaalsContact C-N 3.3Å; R155-G157 VanDerWaalsContact C-N 3.26Å
156D78.6Confident83.1Confident135 Ų13582.3 Ų82.372%0.72244%0.435SS*.Hα-helixtrans-78.2-13.2-178.9-62.9-22000112.7L152L152-D156 PolarHBondContact O-N 3.04Å
157G67.5Low82.2Confident70 Ų7088.3 Ų88.372%0.72247%0.467SS*.THydrogen-bonded Turntrans-96.3-1.9178.400000115.2A153 R155A153-G157 PolarHBondContact O-N 3.12Å; R155-G157 VanDerWaalsContact C-N 3.26Å
158E50.9Low81.5Confident221 Ų22192.4 Ų92.4100%1.03347%0.47SS*.  trans-93.30171.8-71.2175.9176.200110.9

Retrieved 158 of 158 residues in 70.9 ms (Link to these results)

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