A0A5K4F6K1_SCHMA Loading...

Large ribosomal subunit protein uL15

AlphaFold DB , UniProt , Accession A0A5K4F6K1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 149 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
1M53.6Low78.7Confident235 Ų235153.9 Ų153.9100%1.15874%0.735SS**  0133.70-62.3-173.3-169.800108.7R3M1-R3 PolarHBondContact O-N 3.5Å
2S60.3Low80Confident101 Ų101143.4 Ų143.471%0.70669%0.686SS**  trans-54.5124-176.861.50000110.9I4S2-I4 PolarHBondContact O-N 3.33Å
3R64.1Low80.8Confident260 Ų260144.6 Ų144.698%0.98168%0.679SS**  trans-65.17.3176.1-71.4-177177.4177.8-0.4114.1M1 K5M1-R3 PolarHBondContact O-N 3.5Å; R3-K5 PolarHBondContact O-N 3.1Å
4I75.9Confident81.6Confident130 Ų130140.4 Ų140.467%0.66769%0.693SS**SBendtrans-82.7115.9180-58.5175.2000108.1S2 A6S2-I4 PolarHBondContact O-N 3.33Å; I4-A6 PolarHBondContact O-N 3.15Å
5K77.9Confident82.5Confident189 Ų189138.7 Ų138.782%0.82268%0.682SS**  trans-46.2126.4172.7-175.7174.3-177174.40109.8R3 K7R3-K5 PolarHBondContact O-N 3.1Å; K5-K7 PolarHBondContact O-N 3.22Å
6A81.9Confident83.2Confident82 Ų82137.6 Ų137.668%0.67869%0.686SS**  trans-58.6106.8-179.900000110.1I4I4-A6 PolarHBondContact O-N 3.15Å
7K88.7Confident83.8Confident142 Ų142131.8 Ų131.862%0.61766%0.661SS**  trans-74.5150.2173.8-64.9-175.1178.1-178.30109.5K5 T9 R10K5-K7 PolarHBondContact O-N 3.22Å; K7-T9 PolarHBondContact O-N 3.19Å; K7-R10 WeakPolarHBondContact O-CB 3.5Å; K7-R10 PolarHBondContact O-N 3.29Å
8K91.8Very high84.5Confident158 Ų158128.3 Ų128.369%0.68764%0.642SS**Hα-helixtrans-48.8-36.2171.1-174.1-178.9179.3-178.50111.6R10 K11 L12K8-R10 PolarHBondContact O-N 2.91Å; K8-K11 PolarHBondContact O-N 3.28Å; K8-L12 HydrophobicContact CD-CD1 4.24Å; K8-L12 HydrophobicContact CG-CD1 3.84Å; K8-L12 HydrophobicContact CG-CG 4.34Å; K8-L12 WeakPolarHBondContact O-CG 3.29Å; K8-L12 PolarHBondContact O-N 3.32Å
9T92.4Very high85Confident72 Ų72124.5 Ų124.544%0.44264%0.638SS.*Hα-helixtrans-49.1-39.1172.9-44.30000113.6K7 L12 R13 H18K7-T9 PolarHBondContact O-N 3.19Å; T9-L12 PolarHBondContact O-N 3.19Å; T9-R13 PolarHBondContact O-N 3.47Å; T9-H18 WeakPolarHBondContact CG2-NE2 2.94Å
10R88.9Confident85.5Confident150 Ų150123.4 Ų123.457%0.56663%0.63SS**Hα-helixtrans-68.7-38.6-179.5-63.5-59-62.5-134-1.4111.7K7 K8 L12K7-R10 WeakPolarHBondContact O-CB 3.5Å; K7-R10 PolarHBondContact O-N 3.29Å; K8-R10 PolarHBondContact O-N 2.91Å; R10-L12 PolarHBondContact O-N 2.76Å
11K90.8Very high85.9Confident174 Ų174119.5 Ų119.576%0.75762%0.621SS**Hα-helixtrans-68.7-23.8174.7-65.4-171.6176.5-172.80112.6K8K8-K11 PolarHBondContact O-N 3.28Å
12L94.1Very high87.8Confident28 Ų28117.5 Ų117.515%0.14760%0.601CS.*THydrogen-bonded Turntrans-94.50.9-176.8-66.4174.2000114.4K8 T9 R10 G14 H15 H18K8-L12 HydrophobicContact CD-CD1 4.24Å; K8-L12 HydrophobicContact CG-CD1 3.84Å; K8-L12 HydrophobicContact CG-CG 4.34Å; K8-L12 WeakPolarHBondContact O-CG 3.29Å; K8-L12 PolarHBondContact O-N 3.32Å; T9-L12 PolarHBondContact O-N 3.19Å; R10-L12 PolarHBondContact O-N 2.76Å; L12-G14 PolarHBondContact O-N 3.32Å; L12-H15 WeakPolarHBondContact O-CB 3.38Å; L12-H15 PolarHBondContact O-N 3.31Å; L12-H15 VanDerWaalsContact O-N 3.08Å; L12-H18 WeakPolarHBondContact CD1-O 3.29Å; L12-H18 PolarHBondContact O-CE1 3.39Å; L12-H18 PolarHBondContact O-ND1 3.44Å
13R89.8Confident89.5Confident159 Ų159119.7 Ų119.760%0.661%0.609SS**THydrogen-bonded Turntrans-62.1126.3171.6-69.9-171.3173.4-170.5-5.2109.2T9T9-R13 PolarHBondContact O-N 3.47Å
14G92.8Very high90.9Very high85 Ų85109.9 Ų109.988%0.87659%0.589SS**THydrogen-bonded Turntrans100.4-18.2-173.200000114.5L12L12-G14 PolarHBondContact O-N 3.32Å
15H94.6Very high91.8Very high115 Ų115110.2 Ų110.253%0.53259%0.585SS.*  trans-82.6127.9174.2-67-96000111.6L12 S17 H18L12-H15 WeakPolarHBondContact O-CB 3.38Å; L12-H15 PolarHBondContact O-N 3.31Å; L12-H15 VanDerWaalsContact O-N 3.08Å; H15-S17 VanDerWaalsContact C-N 3.34Å; H15-S17 PolarHBondContact O-N 3.29Å; H15-H18 PolarHBondContact O-N 2.87Å
16V93.1Very high92.7Very high122 Ų122107.7 Ų107.774%0.73958%0.576SS**THydrogen-bonded Turntrans-50.6-44.3-175.3-1780000114.1
17S94.7Very high93.4Very high38 Ų38111.5 Ų111.527%0.26657%0.573SS.*THydrogen-bonded Turntrans-112.814.6-174.4-48.30000114H15 G19 H20 G21H15-S17 VanDerWaalsContact C-N 3.34Å; H15-S17 PolarHBondContact O-N 3.29Å; S17-G19 PolarHBondContact O-N 2.9Å; S17-H20 PolarHBondContact O-N 3.49Å; S17-G21 WeakPolarHBondContact CB-O 3.18Å
18H95.3Very high93.8Very high70 Ų70113.4 Ų113.432%0.32458%0.582SS.*THydrogen-bonded Turntrans4934.8177.2-120.172.7000115T9 L12 H15 H20T9-H18 WeakPolarHBondContact CG2-NE2 2.94Å; L12-H18 WeakPolarHBondContact CD1-O 3.29Å; L12-H18 PolarHBondContact O-CE1 3.39Å; L12-H18 PolarHBondContact O-ND1 3.44Å; H15-H18 PolarHBondContact O-N 2.87Å; H18-H20 PolarHBondContact O-CD2 3Å
19G93.9Very high94Very high55 Ų55111.2 Ų111.257%0.56757%0.573SS**THydrogen-bonded Turntrans81.69.8178.700000116.2S17S17-G19 PolarHBondContact O-N 2.9Å
20H95.7Very high94.1Very high103 Ų103113.7 Ų113.748%0.47759%0.591SS.*SBendtrans-103.614.8-178.9-64.2-80.2000115S17 H18 H26S17-H20 PolarHBondContact O-N 3.49Å; H18-H20 PolarHBondContact O-CD2 3Å; H20-H26 HydrophobicContact CB-CB 3.69Å; H20-H26 AromaticContact ND1-CD2 3.77Å; H20-H26 AromaticContact ND1-CG 3.92Å
21G93.9Very high94.4Very high42 Ų42107.9 Ų107.943%0.43358%0.578SS.*  trans78.1145.9179.800000114.2S17S17-G21 WeakPolarHBondContact CB-O 3.18Å
22R94.1Very high94.6Very high193 Ų193101.5 Ų101.573%0.72856%0.561SS**THydrogen-bonded Turntrans-80.5-38.9-177.8-67.3-177.9-179.6-177.80.2113
23V95.9Very high94.7Very high146 Ų146108.9 Ų108.989%0.88559%0.587SS**THydrogen-bonded Turntrans-77.4-60.5-174.1-178.10000111.6K25V23-K25 PolarHBondContact O-N 3.36Å
24G94Very high95Very high54 Ų54104.9 Ų104.956%0.55760%0.596SS**THydrogen-bonded Turntrans-69.3-30.6-175.200000114.8R27G24-R27 PolarHBondContact O-NH1 2.94Å
25K94.6Very high95.1Very high137 Ų137106.1 Ų106.160%0.59658%0.582SS**  trans55.4149.8-171.8-61.1-179179.8177.10113.7V23 R27V23-K25 PolarHBondContact O-N 3.36Å; K25-R27 PolarHBondContact O-N 3.36Å
26H96.8Very high95.2Very high136 Ų136102.8 Ų102.863%0.6357%0.574SS**  trans-73.7124.4173.3-173.4-127.1000110.7H20H20-H26 HydrophobicContact CB-CB 3.69Å; H20-H26 AromaticContact ND1-CD2 3.77Å; H20-H26 AromaticContact ND1-CG 3.92Å
27R95.8Very high95.3Very high162 Ų16297.8 Ų97.861%0.61155%0.548SS*.  trans-130.8152174.8-67.4-174.8169.495.1-9.3110.2G24 K25 H29G24-R27 PolarHBondContact O-NH1 2.94Å; K25-R27 PolarHBondContact O-N 3.36Å; R27-H29 PolarHBondContact O-N 3.37Å
28K96.6Very high95.3Very high183 Ų18397.3 Ų97.380%0.79654%0.542SS*.SBendtrans-70.4121.3179.560.3-174.2-178.3-178.50111.1
29H95.4Very high95.3Very high111 Ų11199.5 Ų99.551%0.51455%0.552SS.*  trans51.654.8169.7-52.4-65.5000117.2R27 G31 G32 R33R27-H29 PolarHBondContact O-N 3.37Å; H29-G31 VanDerWaalsContact C-N 3.26Å; H29-G31 PolarHBondContact O-N 3.09Å; H29-G32 PolarHBondContact O-N 2.86Å; H29-R33 HydrophobicContact CB-CG 4.1Å
30P95.8Very high95.4Very high124 Ų124103.5 Ų103.581%0.80556%0.556SS**THydrogen-bonded Turntrans-64-27.4-177.127.2-35.4000114
31G94.1Very high95.5Very high29 Ų29104.5 Ų104.530%0.29956%0.561SS.*THydrogen-bonded Turntrans-97.512.9179.500000114.8H29 H41 H42H29-G31 VanDerWaalsContact C-N 3.26Å; H29-G31 PolarHBondContact O-N 3.09Å; G31-H41 PolarHBondContact O-NE2 2.98Å; G31-H42 PolarHBondContact O-NE2 3.28Å
32G96.1Very high95.6Very high39 Ų39105.6 Ų105.640%0.40255%0.554SS.*  trans94.7176.7-169.900000113.4H29H29-G32 PolarHBondContact O-N 2.86Å
33R96.9Very high95.7Very high183 Ų183103.1 Ų103.169%0.69155%0.545SS*.SBendtrans-103138.5179.5-66.4-174.2-178.3-149.64.5110.5H29 N35 A36H29-R33 HydrophobicContact CB-CG 4.1Å; R33-N35 PolarHBondContact O-N 3.49Å; R33-A36 WeakPolarHBondContact O-CB 3.27Å; R33-A36 PolarHBondContact O-N 2.94Å
34G95.8Very high95.7Very high76 Ų76102.8 Ų102.878%0.78454%0.537SS*.THydrogen-bonded Turntrans57-130.6177.700000112A36G34-A36 VanDerWaalsContact C-N 3.3Å; G34-A36 PolarHBondContact O-N 3.29Å
35N94.8Very high95.9Very high110 Ų110104 Ų10459%0.58853%0.53SS*.THydrogen-bonded Turntrans-91.632.2-179.5-69.6-3.6000112.6R33 L38 Y53R33-N35 PolarHBondContact O-N 3.49Å; N35-L38 HydrophobicContact CB-CD1 4.09Å; N35-L38 HydrophobicContact CB-CD2 3.84Å; N35-L38 HydrophobicContact CB-CG 4.18Å; N35-L38 VanDerWaalsContact O-CG 3.23Å; N35-L38 WeakPolarHBondContact O-CG 3.39Å; N35-Y53 PolarHBondContact ND2-OH 3.43Å
36A96.2Very high95.9Very high45 Ų4598.2 Ų98.237%0.37251%0.506SS..THydrogen-bonded Turntrans-72.7135.1174.400000110.4R33 G34 H42R33-A36 WeakPolarHBondContact O-CB 3.27Å; R33-A36 PolarHBondContact O-N 2.94Å; G34-A36 VanDerWaalsContact C-N 3.3Å; G34-A36 PolarHBondContact O-N 3.29Å; A36-H42 PolarHBondContact O-CD2 3.3Å
37G95.2Very high95.8Very high17 Ų1796.7 Ų96.718%0.17550%0.502CS..THydrogen-bonded Turntrans90.216.2174.900000116.3E39 H40 H41 H42G37-E39 VanDerWaalsContact C-N 3.27Å; G37-E39 PolarHBondContact O-N 3.06Å; G37-H40 CarbonylContact O-C 3.48Å; G37-H40 PolarHBondContact O-N 2.95Å; G37-H41 VanDerWaalsContact CA-CE1 3.48Å; G37-H41 WeakPolarHBondContact CA-CE1 3.31Å; G37-H41 PolarHBondContact O-N 2.69Å; G37-H42 WeakPolarHBondContact O-CA 3.46Å; G37-H42 WeakPolarHBondContact O-CB 3.4Å; G37-H42 PolarHBondContact O-N 2.88Å
38L94.3Very high95.9Very high29 Ų2995.7 Ų95.715%0.15250%0.503CS..THydrogen-bonded Turntrans-54.1-38.9-178-58.9178.3000113.9N35 R43 M46 Y53 I54N35-L38 HydrophobicContact CB-CD1 4.09Å; N35-L38 HydrophobicContact CB-CD2 3.84Å; N35-L38 HydrophobicContact CB-CG 4.18Å; N35-L38 VanDerWaalsContact O-CG 3.23Å; N35-L38 WeakPolarHBondContact O-CG 3.39Å; L38-R43 WeakPolarHBondContact O-CA 3.41Å; L38-R43 PolarHBondContact O-N 2.98Å; L38-M46 HydrophobicContact CB-CG 3.88Å; L38-M46 HydrophobicContact CD1-CE 4.19Å; L38-M46 HydrophobicContact CD2-CE 3.9Å; L38-M46 HydrophobicContact CD2-CG 3.5Å; L38-M46 HydrophobicContact CD2-SD 3.44Å; L38-M46 WeakPolarHBondContact CD2-SD 3.38Å; L38-M46 HydrophobicContact CG-CE 4.45Å; L38-M46 HydrophobicContact CG-CG 4.19Å; L38-M46 HydrophobicContact CG-SD 4.47Å; L38-Y53 HydrophobicContact CD1-CD1 3.91Å; L38-Y53 HydrophobicContact CD1-CE1 3.41Å; L38-Y53 VanDerWaalsContact CD1-CE1 3.41Å; L38-I54 HydrophobicContact CB-CD1 4.16Å
39E95.1Very high95.9Very high116 Ų11693.7 Ų93.754%0.54249%0.491SS..THydrogen-bonded Turntrans-92.2-7.1178.9-64.8178.2159.100113.4G37 I54G37-E39 VanDerWaalsContact C-N 3.27Å; G37-E39 PolarHBondContact O-N 3.06Å; E39-I54 HydrophobicContact CG-CD1 3.2Å; E39-I54 WeakPolarHBondContact OE1-CD1 3.38Å; E39-I54 VanDerWaalsContact OE1-CG2 3.23Å; E39-I54 WeakPolarHBondContact OE1-CG2 3.29Å
40H96.3Very high96Very high139 Ų13993 Ų9364%0.64449%0.488SS*.THydrogen-bonded Turntrans-113.2-110.5-170.3-57.977.6000108.9G37 H42 R43G37-H40 CarbonylContact O-C 3.48Å; G37-H40 PolarHBondContact O-N 2.95Å; H40-H42 VanDerWaalsContact C-N 3.28Å; H40-H42 PolarHBondContact O-N 3.21Å; H40-R43 WeakPolarHBondContact O-CB 3.38Å; H40-R43 PolarHBondContact O-N 3.2Å
41H96.9Very high96Very high123 Ų12392.2 Ų92.257%0.56948%0.483SS*.THydrogen-bonded Turntrans-75.3-8.3-175.157.1-80.7000115G31 G37G31-H41 PolarHBondContact O-NE2 2.98Å; G37-H41 VanDerWaalsContact CA-CE1 3.48Å; G37-H41 WeakPolarHBondContact CA-CE1 3.31Å; G37-H41 PolarHBondContact O-N 2.69Å
42H96.5Very high96Very high65 Ų6594.6 Ų94.630%0.30151%0.507SS..THydrogen-bonded Turntrans-109.710.2169.8-64-66.7000113.6G31 A36 G37 H40 I44 N45 M46G31-H42 PolarHBondContact O-NE2 3.28Å; A36-H42 PolarHBondContact O-CD2 3.3Å; G37-H42 WeakPolarHBondContact O-CA 3.46Å; G37-H42 WeakPolarHBondContact O-CB 3.4Å; G37-H42 PolarHBondContact O-N 2.88Å; H40-H42 VanDerWaalsContact C-N 3.28Å; H40-H42 PolarHBondContact O-N 3.21Å; H42-I44 VanDerWaalsContact C-N 3.34Å; H42-I44 PolarHBondContact O-N 2.86Å; H42-N45 WeakPolarHBondContact O-CB 3.36Å; H42-N45 PolarHBondContact O-N 3.19Å; H42-M46 PolarHBondContact O-N 3.39Å; H42-M46 VanDerWaalsContact O-N 3.11Å
43R96.5Very high96Very high141 Ų14199 Ų9953%0.53251%0.513SS..Hα-helixtrans-51.6-48.6-178.9-175.9-179.769.1-165.40.9113.5L38 H40 N45 M46 D47L38-R43 WeakPolarHBondContact O-CA 3.41Å; L38-R43 PolarHBondContact O-N 2.98Å; H40-R43 WeakPolarHBondContact O-CB 3.38Å; H40-R43 PolarHBondContact O-N 3.2Å; R43-N45 PolarHBondContact O-N 3.07Å; R43-M46 PolarHBondContact O-N 2.97Å; R43-M46 VanDerWaalsContact O-N 3.1Å; R43-D47 WeakPolarHBondContact CG-OD2 3.49Å; R43-D47 WeakPolarHBondContact O-CB 3.24Å; R43-D47 PolarHBondContact O-N 3.29Å
44I96.9Very high95.8Very high139 Ų13994.2 Ų94.271%0.71350%0.5SS*.Hα-helixtrans-58.3-37.4-179.4-62.8170.9000111.6H42 K48H42-I44 VanDerWaalsContact C-N 3.34Å; H42-I44 PolarHBondContact O-N 2.86Å; I44-K48 WeakPolarHBondContact O-CB 3.38Å; I44-K48 PolarHBondContact O-N 2.98Å
45N96.4Very high95.7Very high79 Ų7993.9 Ų93.942%0.42250%0.496SS..Hα-helixtrans-68.8-47178.3-172.8-11.6000110.4H42 R43 K48 Y49H42-N45 WeakPolarHBondContact O-CB 3.36Å; H42-N45 PolarHBondContact O-N 3.19Å; R43-N45 PolarHBondContact O-N 3.07Å; N45-K48 PolarHBondContact O-N 2.64Å; N45-Y49 WeakPolarHBondContact O-CD2 3.48Å; N45-Y49 PolarHBondContact O-N 3.11Å; N45-Y49 VanDerWaalsContact OD1-CD2 3.26Å; N45-Y49 WeakPolarHBondContact OD1-CD2 3.39Å
46M95.4Very high95.8Very high17 Ų1797 Ų978%0.08450%0.504CS..Hα-helixtrans-66-47.4-179.1-69.7-56.3-65.400112.9L38 H42 R43 K48 H50 Y53L38-M46 HydrophobicContact CB-CG 3.88Å; L38-M46 HydrophobicContact CD1-CE 4.19Å; L38-M46 HydrophobicContact CD2-CE 3.9Å; L38-M46 HydrophobicContact CD2-CG 3.5Å; L38-M46 HydrophobicContact CD2-SD 3.44Å; L38-M46 WeakPolarHBondContact CD2-SD 3.38Å; L38-M46 HydrophobicContact CG-CE 4.45Å; L38-M46 HydrophobicContact CG-CG 4.19Å; L38-M46 HydrophobicContact CG-SD 4.47Å; H42-M46 PolarHBondContact O-N 3.39Å; H42-M46 VanDerWaalsContact O-N 3.11Å; R43-M46 PolarHBondContact O-N 2.97Å; R43-M46 VanDerWaalsContact O-N 3.1Å; M46-K48 PolarHBondContact O-N 2.78Å; M46-H50 HydrophobicContact CE-CB 3.63Å; M46-H50 CarbonylContact O-C 3.08Å; M46-H50 WeakPolarHBondContact O-CA 3.37Å; M46-H50 WeakPolarHBondContact O-CB 3.42Å; M46-H50 PolarHBondContact O-N 3.23Å; M46-H50 HydrophobicContact SD-CB 4.15Å; M46-H50 VanDerWaalsContact SD-CD2 3.58Å; M46-Y53 HydrophobicContact CE-CD1 3.47Å; M46-Y53 VanDerWaalsContact CE-CD1 3.47Å; M46-Y53 HydrophobicContact CE-CD2 4.01Å; M46-Y53 HydrophobicContact CE-CE1 4.1Å; M46-Y53 HydrophobicContact CE-CG 3.44Å; M46-Y53 VanDerWaalsContact CE-CG 3.44Å
47D95.2Very high95.8Very high104 Ų104101.8 Ų101.856%0.55653%0.529SS*.Hα-helixtrans-63.6-34.4179.7-66.4-10.8000111.4R43R43-D47 WeakPolarHBondContact CG-OD2 3.49Å; R43-D47 WeakPolarHBondContact O-CB 3.24Å; R43-D47 PolarHBondContact O-N 3.29Å
48K97.1Very high95.8Very high141 Ų141104.1 Ų104.161%0.61355%0.553SS**Hα-helixtrans-77.2-46.3-178.2-176.1173.8-179.7-176.80113.4I44 N45 M46I44-K48 WeakPolarHBondContact O-CB 3.38Å; I44-K48 PolarHBondContact O-N 2.98Å; N45-K48 PolarHBondContact O-N 2.64Å; M46-K48 PolarHBondContact O-N 2.78Å
49Y97.7Very high96Very high141 Ų141112.1 Ų112.155%0.55359%0.592SS**Hα-helixtrans-108.6-16.7-169.8-59.2-69.7000113.7N45 P51N45-Y49 WeakPolarHBondContact O-CD2 3.48Å; N45-Y49 PolarHBondContact O-N 3.11Å; N45-Y49 VanDerWaalsContact OD1-CD2 3.26Å; N45-Y49 WeakPolarHBondContact OD1-CD2 3.39Å; Y49-P51 VanDerWaalsContact C-CD 3.41Å
50H96.8Very high96.1Very high97 Ų97114.8 Ų114.845%0.44960%0.597SS.*SBendtrans-132.153-177.1-56.4-62000112.3M46 G52 Y53M46-H50 HydrophobicContact CE-CB 3.63Å; M46-H50 CarbonylContact O-C 3.08Å; M46-H50 WeakPolarHBondContact O-CA 3.37Å; M46-H50 WeakPolarHBondContact O-CB 3.42Å; M46-H50 PolarHBondContact O-N 3.23Å; M46-H50 HydrophobicContact SD-CB 4.15Å; M46-H50 VanDerWaalsContact SD-CD2 3.58Å; H50-G52 PolarHBondContact O-N 3.42Å; H50-Y53 VanDerWaalsContact O-CB 3.29Å; H50-Y53 WeakPolarHBondContact O-CB 3.49Å; H50-Y53 PolarHBondContact O-N 3.05Å
51P95.7Very high96.1Very high107 Ų107113.2 Ų113.270%0.69559%0.59SS**THydrogen-bonded Turntrans-60.7136.3177.728-35.4000110.6Y49 Y53Y49-P51 VanDerWaalsContact C-CD 3.41Å; P51-Y53 VanDerWaalsContact C-N 3.34Å
52G94.5Very high96.1Very high79 Ų79115 Ų11581%0.81459%0.593SS**THydrogen-bonded Turntrans80.17.7-178.700000115.3H50 I54H50-G52 PolarHBondContact O-N 3.42Å; G52-I54 VanDerWaalsContact C-N 3.34Å
53Y95.7Very high96.1Very high132 Ų132119.1 Ų119.152%0.51861%0.612SS.*  trans-64.7-38.7175.5-175-89.6000112.5N35 L38 M46 H50 P51N35-Y53 PolarHBondContact ND2-OH 3.43Å; L38-Y53 HydrophobicContact CD1-CD1 3.91Å; L38-Y53 HydrophobicContact CD1-CE1 3.41Å; L38-Y53 VanDerWaalsContact CD1-CE1 3.41Å; M46-Y53 HydrophobicContact CE-CD1 3.47Å; M46-Y53 VanDerWaalsContact CE-CD1 3.47Å; M46-Y53 HydrophobicContact CE-CD2 4.01Å; M46-Y53 HydrophobicContact CE-CE1 4.1Å; M46-Y53 HydrophobicContact CE-CG 3.44Å; M46-Y53 VanDerWaalsContact CE-CG 3.44Å; H50-Y53 VanDerWaalsContact O-CB 3.29Å; H50-Y53 WeakPolarHBondContact O-CB 3.49Å; H50-Y53 PolarHBondContact O-N 3.05Å; P51-Y53 VanDerWaalsContact C-N 3.34Å
54I93.6Very high96.1Very high82 Ų82116.6 Ų116.642%0.42161%0.608SS.*SBendtrans-97.9124.5-179-54.6-174.8000109.2L38 E39 G52L38-I54 HydrophobicContact CB-CD1 4.16Å; E39-I54 HydrophobicContact CG-CD1 3.2Å; E39-I54 WeakPolarHBondContact OE1-CD1 3.38Å; E39-I54 VanDerWaalsContact OE1-CG2 3.23Å; E39-I54 WeakPolarHBondContact OE1-CG2 3.29Å; G52-I54 VanDerWaalsContact C-N 3.34Å
55G93.5Very high96.2Very high69 Ų69116 Ų11671%0.71160%0.6SS**SBendtrans144179.9178.600000112.2
56K96.4Very high96.2Very high174 Ų174121.4 Ų121.476%0.75762%0.615SS**  trans-131.3124.4175.2-176.9-179.1177.9-175.30108.7
57V95.9Very high96.3Very high147 Ų147127.5 Ų127.589%0.89165%0.648SS**  trans-131.8141.6-175.6-176.60000110.1
58G96.3Very high96.3Very high66 Ų66127.4 Ų127.468%0.6865%0.653SS**SBendtrans80.7177171.400000116
59M97.6Very high96.2Very high197 Ų197127.9 Ų127.997%0.9765%0.652SS**  trans-87145.1176.7-64.2178.4-179.800111
60R96.8Very high96.1Very high171 Ų171127.7 Ų127.765%0.64565%0.651SS**  trans-79.5130.1176.1-68.6-176.3-71-178.20.3110.4Y62R60-Y62 HydrophobicContact CB-CE1 4.05Å; R60-Y62 PolarHBondContact NE-OH 3.14Å; R60-Y62 PolarHBondContact NH1-OH 3.06Å; R60-Y62 PolarHBondContact NH2-OH 3.14Å
61H96.7Very high96.1Very high106 Ų106125.5 Ų125.549%0.49165%0.646SS.*  trans-106.6102.3171.4-175.2-178000109.5L64 Y69H61-L64 VanDerWaalsContact CE1-CD1 3.42Å; H61-L64 WeakPolarHBondContact CE1-CD1 3.36Å; H61-L64 WeakPolarHBondContact ND1-CD1 3.48Å; H61-Y69 AromaticContact CE1-CE2 3.76Å; H61-Y69 AromaticContact CE1-CZ 3.84Å; H61-Y69 PolarHBondContact CE1-OH 3.29Å; H61-Y69 VanDerWaalsContact CE1-OH 3.22Å
62Y97.1Very high96.2Very high161 Ų161121.6 Ų121.663%0.63162%0.621SS**THydrogen-bonded Turntrans-76.6143.3177-54.3-59.1000111R60 L64R60-Y62 HydrophobicContact CB-CE1 4.05Å; R60-Y62 PolarHBondContact NE-OH 3.14Å; R60-Y62 PolarHBondContact NH1-OH 3.06Å; R60-Y62 PolarHBondContact NH2-OH 3.14Å; Y62-L64 PolarHBondContact O-N 3.33Å
63H97.1Very high96.4Very high151 Ų151121.1 Ų121.170%0.69960%0.602SS**THydrogen-bonded Turntrans51.654.9-178.4-164.8163.6000112.8K65H63-K65 WeakPolarHBondContact NE2-CE 3.33Å; H63-K65 PolarHBondContact O-N 3.46Å
64L96.5Very high96.4Very high88 Ų88115.1 Ų115.146%0.46158%0.58SS.*  trans-60.3103174.9174.664.6000110.9H61 Y62 R66 Y69H61-L64 VanDerWaalsContact CE1-CD1 3.42Å; H61-L64 WeakPolarHBondContact CE1-CD1 3.36Å; H61-L64 WeakPolarHBondContact ND1-CD1 3.48Å; Y62-L64 PolarHBondContact O-N 3.33Å; L64-R66 HydrophobicContact CD2-CG 4.36Å; L64-R66 HydrophobicContact CG-CG 4.26Å; L64-Y69 HydrophobicContact CD1-CD2 4.07Å; L64-Y69 HydrophobicContact CD1-CE2 3.85Å
65K97.5Very high96.6Very high126 Ų126113.3 Ų113.355%0.54857%0.571SS.*  trans-84.1112.8167.4-64.6179.6-177.81790107.8H63 P68 Y69H63-K65 WeakPolarHBondContact NE2-CE 3.33Å; H63-K65 PolarHBondContact O-N 3.46Å; K65-P68 HydrophobicContact CB-CG 4.36Å; K65-P68 WeakPolarHBondContact O-CD 3.33Å; K65-Y69 WeakPolarHBondContact O-CD2 3.21Å; K65-Y69 WeakPolarHBondContact O-CE2 3Å
66R96.7Very high96.7Very high193 Ų193110 Ų11073%0.72854%0.537SS*.SBendtrans-74.6-24.7-178.1-68.9-175.9176.8-173.7-1.8113.7L64 Y69 Y70L64-R66 HydrophobicContact CD2-CG 4.36Å; L64-R66 HydrophobicContact CG-CG 4.26Å; R66-Y69 PolarHBondContact O-N 3.35Å; R66-Y69 VanDerWaalsContact O-N 3.11Å; R66-Y70 PolarHBondContact O-N 3.07Å
67N97.1Very high96.5Very high145 Ų145105.2 Ų105.278%0.77552%0.519SS*.G310 helixtrans-61.4-43-174.2-60.6-4.2000113.9Y69 Y70N67-Y69 VanDerWaalsContact C-N 3.25Å; N67-Y69 PolarHBondContact O-N 3.33Å; N67-Y70 VanDerWaalsContact O-CB 3.22Å; N67-Y70 WeakPolarHBondContact O-CB 3.18Å; N67-Y70 PolarHBondContact O-N 2.89Å; N67-Y70 VanDerWaalsContact O-N 3.15Å
68P95.5Very high96.4Very high103 Ų103104.3 Ų104.367%0.66950%0.503SS*.G310 helixtrans-62.8-27.4174.1-24.835.5000114.6K65 Y70K65-P68 HydrophobicContact CB-CG 4.36Å; K65-P68 WeakPolarHBondContact O-CD 3.33Å; P68-Y70 VanDerWaalsContact C-N 3.33Å
69Y95.8Very high96.3Very high151 Ų151101.1 Ų101.159%0.59247%0.471SS*.G310 helixtrans-88.7-2.1177.9-59.3-77.6000113.1H61 L64 K65 R66 N67 C71H61-Y69 AromaticContact CE1-CE2 3.76Å; H61-Y69 AromaticContact CE1-CZ 3.84Å; H61-Y69 PolarHBondContact CE1-OH 3.29Å; H61-Y69 VanDerWaalsContact CE1-OH 3.22Å; L64-Y69 HydrophobicContact CD1-CD2 4.07Å; L64-Y69 HydrophobicContact CD1-CE2 3.85Å; K65-Y69 WeakPolarHBondContact O-CD2 3.21Å; K65-Y69 WeakPolarHBondContact O-CE2 3Å; R66-Y69 PolarHBondContact O-N 3.35Å; R66-Y69 VanDerWaalsContact O-N 3.11Å; N67-Y69 VanDerWaalsContact C-N 3.25Å; N67-Y69 PolarHBondContact O-N 3.33Å; Y69-C71 PolarHBondContact O-N 2.87Å; Y69-C71 VanDerWaalsContact O-N 3.11Å
70Y96Very high96.1Very high136 Ų13693.2 Ų93.253%0.53343%0.43SS..  trans-66.5112.7-179.2-174.1-107.2000109.9R66 N67 P68 P72 F110R66-Y70 PolarHBondContact O-N 3.07Å; N67-Y70 VanDerWaalsContact O-CB 3.22Å; N67-Y70 WeakPolarHBondContact O-CB 3.18Å; N67-Y70 PolarHBondContact O-N 2.89Å; N67-Y70 VanDerWaalsContact O-N 3.15Å; P68-Y70 VanDerWaalsContact C-N 3.33Å; Y70-P72 HydrophobicContact CD1-CG 4.27Å; Y70-P72 VanDerWaalsContact CE1-CD 3.42Å; Y70-P72 HydrophobicContact CE1-CG 3.58Å; Y70-F110 HydrophobicContact CD1-CD2 4.35Å; Y70-F110 AromaticContact CD1-CE2 3.66Å; Y70-F110 HydrophobicContact CD1-CE2 3.66Å; Y70-F110 AromaticContact CD1-CZ 3.82Å; Y70-F110 HydrophobicContact CD1-CZ 3.82Å; Y70-F110 HydrophobicContact CE1-CE1 4.46Å; Y70-F110 HydrophobicContact CE1-CE2 4.26Å; Y70-F110 HydrophobicContact CE1-CZ 4.02Å; Y70-F110 WeakPolarHBondContact O-CD2 3.22Å; Y70-F110 WeakPolarHBondContact O-CE2 3.26Å
71C96.5Very high95.9Very high51 Ų5189.2 Ų89.235%0.34543%0.428SS..  trans-145.471.2-177-167.70000110.7Y69 T73Y69-C71 PolarHBondContact O-N 2.87Å; Y69-C71 VanDerWaalsContact O-N 3.11Å; C71-T73 WeakPolarHBondContact O-CG2 3.37Å; C71-T73 PolarHBondContact O-N 2.78Å
72P97.5Very high95.7Very high26 Ų2685.3 Ų85.317%0.16941%0.411CS..  trans-60.2136.4173.824.9-33.8000110.2Y70 G108 Y109 F110 K111Y70-P72 HydrophobicContact CD1-CG 4.27Å; Y70-P72 VanDerWaalsContact CE1-CD 3.42Å; Y70-P72 HydrophobicContact CE1-CG 3.58Å; P72-G108 VanDerWaalsContact CB-O 3.28Å; P72-G108 WeakPolarHBondContact CB-O 3.42Å; P72-G108 WeakPolarHBondContact CG-O 3.33Å; P72-Y109 HydrophobicContact CB-CD1 4.36Å; P72-F110 HydrophobicContact CG-CB 4.46Å; P72-F110 HydrophobicContact CG-CD1 4.1Å; P72-F110 HydrophobicContact CG-CG 4.15Å; P72-F110 PolarHBondContact O-N 3.24Å; P72-K111 PolarHBondContact O-N 3.19Å
73T97.8Very high95.5Very high68 Ų6879.2 Ų79.242%0.41739%0.39SS..EExtended strand (participates in β ladder)trans-116.6147.6-173.265.10000112.3C71 Y109 K111 L113C71-T73 WeakPolarHBondContact O-CG2 3.37Å; C71-T73 PolarHBondContact O-N 2.78Å; T73-Y109 WeakPolarHBondContact O-CD1 3.19Å; T73-K111 CarbonylContact C-O 3.17Å; T73-K111 VanDerWaalsContact CA-O 3.24Å; T73-K111 WeakPolarHBondContact CA-O 3.38Å; T73-K111 HydrophobicContact CG2-CB 3.95Å; T73-K111 HydrophobicContact CG2-CG 4.45Å; T73-L113 HydrophobicContact CG2-CD1 4.19Å
74I97.3Very high95.2Very high7 Ų775.2 Ų75.24%0.03638%0.38CS..EExtended strand (participates in β ladder)trans-129.1146.6170.9-169.6170.2000109.7K78 L82 Y109 K111 V112 L113I74-K78 HydrophobicContact CD1-CB 4.21Å; I74-K78 HydrophobicContact CG1-CB 4.08Å; I74-L82 HydrophobicContact CD1-CD1 3.66Å; I74-L82 HydrophobicContact CD1-CD2 3.91Å; I74-L82 HydrophobicContact CD1-CG 3.8Å; I74-Y109 HydrophobicContact CB-CD1 3.79Å; I74-Y109 HydrophobicContact CB-CD2 4.26Å; I74-Y109 HydrophobicContact CB-CE1 4.19Å; I74-Y109 HydrophobicContact CB-CG 3.82Å; I74-Y109 HydrophobicContact CD1-CD2 4.1Å; I74-Y109 HydrophobicContact CD1-CE2 4.04Å; I74-Y109 HydrophobicContact CG2-CD1 4.45Å; I74-Y109 HydrophobicContact CG2-CG 4.06Å; I74-K111 PolarHBondContact N-O 3.39Å; I74-V112 HydrophobicContact CG2-CG2 3.97Å; I74-V112 CarbonylContact O-C 3.55Å; I74-V112 WeakPolarHBondContact O-CA 3.39Å; I74-L113 PolarHBondContact O-N 3.23Å
75N97.3Very high94.9Very high44 Ų4477.9 Ų77.924%0.23539%0.389CS..EExtended strand (participates in β ladder)trans-98.6156.6176.1-72.2-69.2000110.9D77 K78 I79 L113 K115N75-D77 VanDerWaalsContact C-N 3.27Å; N75-D77 WeakPolarHBondContact CB-OD1 3.36Å; N75-D77 PolarHBondContact O-N 3.05Å; N75-K78 PolarHBondContact O-N 2.83Å; N75-I79 PolarHBondContact O-N 3.09Å; N75-L113 WeakPolarHBondContact CA-O 3.29Å; N75-L113 WeakPolarHBondContact OD1-CB 3.31Å; N75-K115 HydrophobicContact CB-CB 4.02Å; N75-K115 WeakPolarHBondContact OD1-CB 3.1Å
76L94.7Very high94.6Very high0 Ų075.1 Ų75.10%039%0.391CS..G310 helixtrans-57.3-37.1-178.9-64.2-176.8000113.7K78 I79 V112 L113 K115 L118 A134 K137 I138L76-K78 PolarHBondContact O-N 2.59Å; L76-K78 VanDerWaalsContact O-N 3.14Å; L76-I79 HydrophobicContact CB-CD1 4.46Å; L76-I79 HydrophobicContact CD2-CD1 3.4Å; L76-I79 HydrophobicContact CG-CD1 4.47Å; L76-I79 PolarHBondContact O-N 2.93Å; L76-I79 VanDerWaalsContact O-N 3.14Å; L76-V112 HydrophobicContact CD2-CG1 3.72Å; L76-L113 WeakPolarHBondContact CG-O 3.38Å; L76-L113 PolarHBondContact N-O 3.17Å; L76-K115 PolarHBondContact N-O 3.4Å; L76-L118 HydrophobicContact CB-CD2 4.15Å; L76-L118 HydrophobicContact CB-CG 4.03Å; L76-L118 HydrophobicContact CD1-CD1 4.04Å; L76-L118 HydrophobicContact CD1-CG 4.2Å; L76-L118 HydrophobicContact CD2-CD1 4.13Å; L76-L118 HydrophobicContact CD2-CG 4.5Å; L76-L118 HydrophobicContact CG-CD1 4.47Å; L76-L118 HydrophobicContact CG-CG 4.47Å; L76-A134 HydrophobicContact CD2-CB 4.14Å; L76-A134 HydrophobicContact CG-CB 4.47Å; L76-K137 HydrophobicContact CD1-CB 3.46Å; L76-K137 VanDerWaalsContact CD1-CB 3.46Å; L76-K137 HydrophobicContact CD1-CD 3.46Å; L76-K137 VanDerWaalsContact CD1-CD 3.46Å; L76-K137 HydrophobicContact CD1-CG 4.11Å; L76-I138 HydrophobicContact CD2-CD1 3.79Å; L76-I138 HydrophobicContact CD2-CG1 3.85Å
77D92.9Very high94.3Very high72 Ų7268.1 Ų68.139%0.38537%0.369SS..G310 helixtrans-54.8-29175.952.51.9000113.7N75 K115N75-D77 VanDerWaalsContact C-N 3.27Å; N75-D77 WeakPolarHBondContact CB-OD1 3.36Å; N75-D77 PolarHBondContact O-N 3.05Å; D77-K115 PolarHBondContact N-O 2.99Å
78K94.3Very high93.9Very high128 Ų12864.1 Ų64.156%0.55734%0.344SS*.G310 helixtrans-102-0.7-177.8-65.9-172.5-178.9-169.90113.9I74 N75 L76 W80 S81I74-K78 HydrophobicContact CD1-CB 4.21Å; I74-K78 HydrophobicContact CG1-CB 4.08Å; N75-K78 PolarHBondContact O-N 2.83Å; L76-K78 PolarHBondContact O-N 2.59Å; L76-K78 VanDerWaalsContact O-N 3.14Å; K78-W80 VanDerWaalsContact C-N 3.31Å; K78-W80 PolarHBondContact O-N 2.81Å; K78-S81 WeakPolarHBondContact O-CB 3.27Å; K78-S81 PolarHBondContact O-N 2.89Å; K78-S81 PolarHBondContact O-OG 3.02Å
79I93.7Very high93.6Very high0 Ų063.4 Ų63.40%033%0.331CS..G310 helixtrans-59.1-43.6-177.3-76.6-178.1000111.6N75 L76 S81 L82 I102 V112 L118 V125N75-I79 PolarHBondContact O-N 3.09Å; L76-I79 HydrophobicContact CB-CD1 4.46Å; L76-I79 HydrophobicContact CD2-CD1 3.4Å; L76-I79 HydrophobicContact CG-CD1 4.47Å; L76-I79 PolarHBondContact O-N 2.93Å; L76-I79 VanDerWaalsContact O-N 3.14Å; I79-S81 PolarHBondContact O-N 2.89Å; I79-L82 WeakPolarHBondContact O-CB 3.39Å; I79-L82 PolarHBondContact O-N 2.88Å; I79-L82 VanDerWaalsContact O-N 3.09Å; I79-I102 HydrophobicContact CG2-CB 4.45Å; I79-I102 HydrophobicContact CG2-CD1 3.51Å; I79-I102 HydrophobicContact CG2-CG2 4.22Å; I79-V112 HydrophobicContact CD1-CG1 3.82Å; I79-L118 HydrophobicContact CB-CD2 4.47Å; I79-V125 HydrophobicContact CD1-CG1 4.31Å; I79-V125 HydrophobicContact CD1-CG2 4.08Å; I79-V125 HydrophobicContact CG2-CG2 4.39Å
80W92.7Very high93.3Very high31 Ų3163.2 Ų63.212%0.11733%0.334CS..G310 helixtrans-70-13.7179.6-71102.1000114.2K78 L82 V83 Y88 P100 I102 P119 V121 V123K78-W80 VanDerWaalsContact C-N 3.31Å; K78-W80 PolarHBondContact O-N 2.81Å; W80-L82 PolarHBondContact O-N 2.96Å; W80-V83 HydrophobicContact CE3-CG2 3.72Å; W80-V83 HydrophobicContact CZ3-CG2 4.32Å; W80-V83 WeakPolarHBondContact O-CG2 3.39Å; W80-Y88 AromaticContact CD2-CD2 3.68Å; W80-Y88 HydrophobicContact CD2-CD2 3.68Å; W80-Y88 AromaticContact CD2-CE2 3.99Å; W80-Y88 HydrophobicContact CD2-CE2 3.99Å; W80-Y88 AromaticContact CE3-CD2 3.34Å; W80-Y88 HydrophobicContact CE3-CD2 3.34Å; W80-Y88 HydrophobicContact CE3-CE2 4.1Å; W80-Y88 HydrophobicContact CE3-CG 4.21Å; W80-Y88 HydrophobicContact CG-CD2 4.29Å; W80-Y88 HydrophobicContact CG-CE2 4.39Å; W80-Y88 HydrophobicContact CH2-CD2 4.13Å; W80-Y88 HydrophobicContact CZ2-CD2 4.46Å; W80-Y88 HydrophobicContact CZ2-CE2 4.47Å; W80-Y88 AromaticContact CZ3-CD2 3.59Å; W80-Y88 HydrophobicContact CZ3-CD2 3.59Å; W80-Y88 HydrophobicContact CZ3-CE2 4.37Å; W80-P100 HydrophobicContact CH2-CG 3.49Å; W80-P100 VanDerWaalsContact CH2-CG 3.49Å; W80-P100 HydrophobicContact CZ3-CG 3.71Å; W80-I102 HydrophobicContact CD2-CD1 4.45Å; W80-I102 HydrophobicContact CE3-CD1 4.21Å; W80-I102 HydrophobicContact CZ3-CD1 4.49Å; W80-P119 VanDerWaalsContact CD1-CD 3.43Å; W80-P119 HydrophobicContact CD2-CG 4.5Å; W80-P119 HydrophobicContact CG-CG 4.33Å; W80-P119 HydrophobicContact CZ2-CG 4.37Å; W80-P119 VanDerWaalsContact NE1-CD 3.28Å; W80-V121 HydrophobicContact CH2-CB 4.26Å; W80-V121 HydrophobicContact CH2-CG1 3.73Å; W80-V121 HydrophobicContact CZ2-CB 3.88Å; W80-V121 HydrophobicContact CZ2-CG1 3.86Å; W80-V123 HydrophobicContact CH2-CB 4.5Å; W80-V123 HydrophobicContact CZ2-CB 3.99Å; W80-V123 HydrophobicContact CZ2-CG2 4.29Å
81S92.8Very high92.9Very high87 Ų8759.9 Ų59.961%0.60832%0.32SS*.G310 helixtrans-74.6-12.1171.574.90000113.4K78 I79 V83K78-S81 WeakPolarHBondContact O-CB 3.27Å; K78-S81 PolarHBondContact O-N 2.89Å; K78-S81 PolarHBondContact O-OG 3.02Å; I79-S81 PolarHBondContact O-N 2.89Å; S81-V83 VanDerWaalsContact C-N 3.29Å
82L93.2Very high92.4Very high24 Ų2464.9 Ų64.913%0.12633%0.332CS..G310 helixtrans-79.7-13.9177.4-62.3-175.2000113.4I74 I79 W80 I102 K107 Y109I74-L82 HydrophobicContact CD1-CD1 3.66Å; I74-L82 HydrophobicContact CD1-CD2 3.91Å; I74-L82 HydrophobicContact CD1-CG 3.8Å; I79-L82 WeakPolarHBondContact O-CB 3.39Å; I79-L82 PolarHBondContact O-N 2.88Å; I79-L82 VanDerWaalsContact O-N 3.09Å; W80-L82 PolarHBondContact O-N 2.96Å; L82-I102 HydrophobicContact CB-CG2 3.92Å; L82-I102 HydrophobicContact CD1-CG2 3.77Å; L82-I102 HydrophobicContact CG-CG2 4.43Å; L82-K107 HydrophobicContact CB-CG 4.35Å; L82-K107 HydrophobicContact CD1-CB 4.27Å; L82-K107 HydrophobicContact CD1-CG 4.29Å; L82-K107 HydrophobicContact CD2-CB 4.02Å; L82-K107 HydrophobicContact CD2-CG 4.18Å; L82-K107 WeakPolarHBondContact O-CE 3.37Å; L82-Y109 HydrophobicContact CD1-CD2 4.45Å; L82-Y109 HydrophobicContact CD2-CD2 4.24Å; L82-Y109 HydrophobicContact CD2-CE2 3.79Å
83V91.7Very high91.8Very high32 Ų3269.5 Ų69.519%0.19436%0.356CS..SBendtrans-111.6157.9177.4-63.10000110W80 S81 T87 I102W80-V83 HydrophobicContact CE3-CG2 3.72Å; W80-V83 HydrophobicContact CZ3-CG2 4.32Å; W80-V83 WeakPolarHBondContact O-CG2 3.39Å; S81-V83 VanDerWaalsContact C-N 3.29Å; V83-T87 HydrophobicContact CB-CG2 4.33Å; V83-I102 HydrophobicContact CG1-CD1 3.95Å; V83-I102 HydrophobicContact CG1-CG1 3.8Å; V83-I102 HydrophobicContact CG2-CD1 4.47Å
84S92.1Very high90.9Very high68 Ų6868.2 Ų68.248%0.47635%0.349SS..  trans-68.9151.8174.663.50000110.6A86 T87 Y88S84-A86 PolarHBondContact O-N 3.15Å; S84-T87 WeakPolarHBondContact O-CA 3.38Å; S84-T87 WeakPolarHBondContact O-CB 3.25Å; S84-T87 PolarHBondContact O-N 3.45Å; S84-T87 PolarHBondContact OG-N 2.84Å; S84-T87 PolarHBondContact OG-OG1 2.97Å; S84-Y88 PolarHBondContact O-N 2.91Å; S84-Y88 VanDerWaalsContact O-N 3.11Å
85Q90.5Very high90Very high143 Ų14374.4 Ų74.467%0.66839%0.387SS*.Hα-helixtrans-57.5-39.3177.2-175.8176.8-20.900112.1T87 Y88 E89Q85-T87 VanDerWaalsContact C-N 3.25Å; Q85-T87 PolarHBondContact O-N 3Å; Q85-Y88 WeakPolarHBondContact O-CB 3.08Å; Q85-Y88 PolarHBondContact O-N 3.22Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.24Å; Q85-E89 PolarHBondContact NE2-OE1 3.18Å; Q85-E89 PolarHBondContact O-N 3.36Å
86A90.4Very high89.2Confident69 Ų6977.6 Ų77.657%0.5740%0.404SS*.Hα-helixtrans-59.8-34.3174.500000113.1S84 K90S84-A86 PolarHBondContact O-N 3.15Å; A86-K90 WeakPolarHBondContact O-CB 3.25Å; A86-K90 PolarHBondContact O-N 2.85Å; A86-K90 VanDerWaalsContact O-N 3.09Å
87T89.6Confident88.6Confident46 Ų4681.3 Ų81.328%0.28244%0.443SS..Hα-helixtrans-69.2-42.8174.5-54.90000110.2V83 S84 Q85 K90 Y91V83-T87 HydrophobicContact CB-CG2 4.33Å; S84-T87 WeakPolarHBondContact O-CA 3.38Å; S84-T87 WeakPolarHBondContact O-CB 3.25Å; S84-T87 PolarHBondContact O-N 3.45Å; S84-T87 PolarHBondContact OG-N 2.84Å; S84-T87 PolarHBondContact OG-OG1 2.97Å; Q85-T87 VanDerWaalsContact C-N 3.25Å; Q85-T87 PolarHBondContact O-N 3Å; T87-K90 PolarHBondContact O-N 3.32Å; T87-Y91 HydrophobicContact CG2-CD2 3.79Å; T87-Y91 HydrophobicContact CG2-CE2 3.74Å; T87-Y91 VanDerWaalsContact O-CD2 3.24Å; T87-Y91 WeakPolarHBondContact O-CD2 3.5Å; T87-Y91 PolarHBondContact O-N 3.15Å
88Y89.5Confident88.3Confident60 Ų6084.9 Ų84.924%0.23546%0.455CS..Hα-helixtrans-59.5-48.9177174.5-113.9000112W80 S84 Q85 K90 Y91 R92 P119 V121W80-Y88 AromaticContact CD2-CD2 3.68Å; W80-Y88 HydrophobicContact CD2-CD2 3.68Å; W80-Y88 AromaticContact CD2-CE2 3.99Å; W80-Y88 HydrophobicContact CD2-CE2 3.99Å; W80-Y88 AromaticContact CE3-CD2 3.34Å; W80-Y88 HydrophobicContact CE3-CD2 3.34Å; W80-Y88 HydrophobicContact CE3-CE2 4.1Å; W80-Y88 HydrophobicContact CE3-CG 4.21Å; W80-Y88 HydrophobicContact CG-CD2 4.29Å; W80-Y88 HydrophobicContact CG-CE2 4.39Å; W80-Y88 HydrophobicContact CH2-CD2 4.13Å; W80-Y88 HydrophobicContact CZ2-CD2 4.46Å; W80-Y88 HydrophobicContact CZ2-CE2 4.47Å; W80-Y88 AromaticContact CZ3-CD2 3.59Å; W80-Y88 HydrophobicContact CZ3-CD2 3.59Å; W80-Y88 HydrophobicContact CZ3-CE2 4.37Å; S84-Y88 PolarHBondContact O-N 2.91Å; S84-Y88 VanDerWaalsContact O-N 3.11Å; Q85-Y88 WeakPolarHBondContact O-CB 3.08Å; Q85-Y88 PolarHBondContact O-N 3.22Å; Y88-K90 PolarHBondContact O-N 3.11Å; Y88-Y91 PolarHBondContact O-N 3.2Å; Y88-R92 VanDerWaalsContact O-CB 3.29Å; Y88-R92 WeakPolarHBondContact O-CB 3.47Å; Y88-R92 PolarHBondContact O-N 2.99Å; Y88-P119 HydrophobicContact CE2-CB 4.49Å; Y88-P119 HydrophobicContact CE2-CG 3.99Å; Y88-V121 HydrophobicContact CE2-CG2 4.49Å
89E89.3Confident88Confident88 Ų8880 Ų8041%0.41144%0.439SS..Hα-helixtrans-60.6-45.5178.6-70.8166.3-175.500111.4Q85 Y91 R92 D93Q85-E89 WeakPolarHBondContact CG-OE1 3.24Å; Q85-E89 PolarHBondContact NE2-OE1 3.18Å; Q85-E89 PolarHBondContact O-N 3.36Å; E89-Y91 VanDerWaalsContact C-N 3.34Å; E89-Y91 PolarHBondContact O-N 2.96Å; E89-R92 WeakPolarHBondContact O-CB 3.28Å; E89-R92 PolarHBondContact O-N 3.17Å; E89-D93 PolarHBondContact O-N 3.48Å
90K89.1Confident88Confident148 Ų14880.2 Ų80.264%0.64344%0.44SS*.Hα-helixtrans-55.1-44.6176.5-177.5-179.1180177.70113.4A86 T87 Y88 S94A86-K90 WeakPolarHBondContact O-CB 3.25Å; A86-K90 PolarHBondContact O-N 2.85Å; A86-K90 VanDerWaalsContact O-N 3.09Å; T87-K90 PolarHBondContact O-N 3.32Å; Y88-K90 PolarHBondContact O-N 3.11Å; K90-S94 VanDerWaalsContact O-CB 3.29Å; K90-S94 WeakPolarHBondContact O-CB 3.34Å; K90-S94 PolarHBondContact O-N 3.31Å
91Y88Confident88.1Confident65 Ų6582.5 Ų82.526%0.25546%0.457SS..Hα-helixtrans-84.5-19.6-178.6-76-75.3000113.5T87 Y88 E89 D93 K98 P100T87-Y91 HydrophobicContact CG2-CD2 3.79Å; T87-Y91 HydrophobicContact CG2-CE2 3.74Å; T87-Y91 VanDerWaalsContact O-CD2 3.24Å; T87-Y91 WeakPolarHBondContact O-CD2 3.5Å; T87-Y91 PolarHBondContact O-N 3.15Å; Y88-Y91 PolarHBondContact O-N 3.2Å; E89-Y91 VanDerWaalsContact C-N 3.34Å; E89-Y91 PolarHBondContact O-N 2.96Å; Y91-D93 VanDerWaalsContact C-N 3.35Å; Y91-K98 WeakPolarHBondContact CD1-O 3.44Å; Y91-K98 HydrophobicContact CE1-CB 4.32Å; Y91-P100 HydrophobicContact CD1-CB 4.48Å; Y91-P100 HydrophobicContact CD1-CG 4.35Å; Y91-P100 HydrophobicContact CD2-CB 3.67Å; Y91-P100 HydrophobicContact CD2-CG 3.88Å; Y91-P100 HydrophobicContact CE1-CB 4.46Å; Y91-P100 HydrophobicContact CE2-CB 3.68Å; Y91-P100 HydrophobicContact CE2-CG 4.37Å; Y91-P100 HydrophobicContact CG-CB 4.1Å; Y91-P100 HydrophobicContact CG-CG 3.88Å
92R86.3Confident88.1Confident156 Ų15678.5 Ų78.559%0.58943%0.429SS*.Hα-helixtrans-67.1-39.4173.4-177.8-177.4178.8-174.3-2.3111.4Y88 E89 V121Y88-R92 VanDerWaalsContact O-CB 3.29Å; Y88-R92 WeakPolarHBondContact O-CB 3.47Å; Y88-R92 PolarHBondContact O-N 2.99Å; E89-R92 WeakPolarHBondContact O-CB 3.28Å; E89-R92 PolarHBondContact O-N 3.17Å; R92-V121 HydrophobicContact CB-CG2 4.44Å; R92-V121 HydrophobicContact CG-CG2 4.35Å
93D83.5Confident88.3Confident124 Ų12479.1 Ų79.166%0.66343%0.433SS*.Hα-helixtrans-99.7-6-174.8-57.3-27.3000113.2E89 Y91 T95E89-D93 PolarHBondContact O-N 3.48Å; Y91-D93 VanDerWaalsContact C-N 3.35Å; D93-T95 PolarHBondContact O-N 2.82Å
94S80.5Confident88.5Confident41 Ų4177.6 Ų77.629%0.28742%0.423SS..  trans-72.9128.2-179.8-179.10000111.9K90 D96K90-S94 VanDerWaalsContact O-CB 3.29Å; K90-S94 WeakPolarHBondContact O-CB 3.34Å; K90-S94 PolarHBondContact O-N 3.31Å; S94-D96 PolarHBondContact OG-N 3.42Å
95T78.8Confident88.6Confident136 Ų13676.3 Ų76.383%0.83441%0.411SS*.  trans-92.71.217348.90000113.4D93 G97D93-T95 PolarHBondContact O-N 2.82Å; T95-G97 PolarHBondContact O-N 3.11Å; T95-G97 VanDerWaalsContact O-N 3.1Å
96D79.1Confident88.8Confident111 Ų11179.6 Ų79.659%0.59442%0.417SS*.SBendtrans-76.72.3-169.3-59.7-19.9000113.9S94 K98S94-D96 PolarHBondContact OG-N 3.42Å; D96-K98 HydrophobicContact CB-CD 4.36Å; D96-K98 HydrophobicContact CB-CG 4.3Å; D96-K98 PolarHBondContact O-N 3.22Å; D96-K98 VanDerWaalsContact O-N 3.15Å
97G81.6Confident89Confident79 Ų7982.1 Ų82.181%0.81442%0.415SS*.  trans67.68.5-175.800000114.6T95T95-G97 PolarHBondContact O-N 3.11Å; T95-G97 VanDerWaalsContact O-N 3.1Å
98K86.7Confident89.2Confident147 Ų14781.5 Ų81.564%0.63942%0.418SS*.  trans-87.7134.9-180-66.8176.9-176.5168.70110.8Y91 D96Y91-K98 WeakPolarHBondContact CD1-O 3.44Å; Y91-K98 HydrophobicContact CE1-CB 4.32Å; D96-K98 HydrophobicContact CB-CD 4.36Å; D96-K98 HydrophobicContact CB-CG 4.3Å; D96-K98 PolarHBondContact O-N 3.22Å; D96-K98 VanDerWaalsContact O-N 3.15Å
99A89.5Confident89.6Confident26 Ų2682.5 Ų82.522%0.21542%0.422CS..  trans-107.4143.2175.300000111.5P122 I124A99-P122 HydrophobicContact CB-CB 4.13Å; A99-I124 HydrophobicContact CB-CD1 4.16Å; A99-I124 HydrophobicContact CB-CG1 4.02Å
100P93Very high89.9Confident4 Ų480 Ų803%0.02641%0.41CS..  trans-68.2139.317324.8-27.1000110.9W80 Y91 P122 I124W80-P100 HydrophobicContact CH2-CG 3.49Å; W80-P100 VanDerWaalsContact CH2-CG 3.49Å; W80-P100 HydrophobicContact CZ3-CG 3.71Å; Y91-P100 HydrophobicContact CD1-CB 4.48Å; Y91-P100 HydrophobicContact CD1-CG 4.35Å; Y91-P100 HydrophobicContact CD2-CB 3.67Å; Y91-P100 HydrophobicContact CD2-CG 3.88Å; Y91-P100 HydrophobicContact CE1-CB 4.46Å; Y91-P100 HydrophobicContact CE2-CB 3.68Å; Y91-P100 HydrophobicContact CE2-CG 4.37Å; Y91-P100 HydrophobicContact CG-CB 4.1Å; Y91-P100 HydrophobicContact CG-CG 3.88Å; P100-P122 WeakPolarHBondContact CD-O 3.22Å; P100-I124 PolarHBondContact O-N 3.31Å
101V94.1Very high90.3Very high78 Ų7876.5 Ų76.547%0.47340%0.395SS..EExtended strand (participates in β ladder)trans-90.9110.7169.9-177.50000108.8I124 K126V101-I124 CarbonylContact C-O 3.56Å; V101-I124 WeakPolarHBondContact CA-O 3.29Å; V101-I124 HydrophobicContact CG1-CG2 4.38Å; V101-I124 HydrophobicContact CG2-CB 4.14Å; V101-I124 HydrophobicContact CG2-CD1 4.22Å; V101-I124 HydrophobicContact CG2-CG2 4.19Å; V101-K126 HydrophobicContact CG1-CD 3.71Å; V101-K126 HydrophobicContact CG1-CG 4.06Å
102I94.6Very high90.8Very high3 Ų373.4 Ų73.42%0.01538%0.383CS..EExtended strand (participates in β ladder)trans-98.4109.1175.6-57.2-175.9000108.5I79 W80 L82 V83 C104 V123 I124 K126I79-I102 HydrophobicContact CG2-CB 4.45Å; I79-I102 HydrophobicContact CG2-CD1 3.51Å; I79-I102 HydrophobicContact CG2-CG2 4.22Å; W80-I102 HydrophobicContact CD2-CD1 4.45Å; W80-I102 HydrophobicContact CE3-CD1 4.21Å; W80-I102 HydrophobicContact CZ3-CD1 4.49Å; L82-I102 HydrophobicContact CB-CG2 3.92Å; L82-I102 HydrophobicContact CD1-CG2 3.77Å; L82-I102 HydrophobicContact CG-CG2 4.43Å; V83-I102 HydrophobicContact CG1-CD1 3.95Å; V83-I102 HydrophobicContact CG1-CG1 3.8Å; V83-I102 HydrophobicContact CG2-CD1 4.47Å; I102-C104 PolarHBondContact O-N 3.22Å; I102-V123 HydrophobicContact CD1-CG2 3.63Å; I102-V123 HydrophobicContact CG1-CG2 3.95Å; I102-I124 PolarHBondContact N-O 3.18Å; I102-K126 PolarHBondContact O-N 3.26Å
103D95.5Very high91.4Very high38 Ų3868.2 Ų68.220%0.20337%0.366CS..EExtended strand (participates in β ladder)trans-88.797.5178.6-166.4-32000110.6L105 R106 K107D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 WeakPolarHBondContact OD1-CA 3.34Å; D103-L105 WeakPolarHBondContact OD1-CB 3.38Å; D103-L105 PolarHBondContact OD1-N 3.03Å; D103-R106 HydrophobicContact CB-CB 4.15Å; D103-R106 HydrophobicContact CB-CG 4.3Å; D103-R106 VanDerWaalsContact CG-CG 3.47Å; D103-R106 PolarHBondContact OD1-N 3.2Å; D103-R106 WeakPolarHBondContact OD2-CD 2.92Å; D103-R106 VanDerWaalsContact OD2-CG 3.25Å; D103-R106 WeakPolarHBondContact OD2-CG 3.28Å; D103-K107 VanDerWaalsContact O-CG 3.27Å; D103-K107 WeakPolarHBondContact O-CG 3.43Å; D103-K107 PolarHBondContact O-N 3.23Å
104C95.9Very high92Very high0 Ų062.6 Ų62.60%034%0.338CS..THydrogen-bonded Turntrans-68.3-34177.4-64.60000111.4I102 K107 G108 Y109 V112 V125 K126 A127I102-C104 PolarHBondContact O-N 3.22Å; C104-K107 CarbonylContact O-C 3.46Å; C104-K107 PolarHBondContact O-N 3.11Å; C104-K107 VanDerWaalsContact O-N 3.15Å; C104-G108 PolarHBondContact O-N 3.42Å; C104-G108 VanDerWaalsContact O-N 3.17Å; C104-Y109 CarbonylContact C-O 3.56Å; C104-Y109 PolarHBondContact O-N 2.9Å; C104-Y109 VanDerWaalsContact O-O 3.09Å; C104-V112 HydrophobicContact CB-CG2 4.46Å; C104-V125 VanDerWaalsContact SG-CG1 3.6Å; C104-K126 VanDerWaalsContact CB-O 3.25Å; C104-K126 WeakPolarHBondContact CB-O 3.47Å; C104-K126 PolarHBondContact N-O 3.18Å; C104-A127 HydrophobicContact CB-CB 4.07Å
105L94.6Very high92.7Very high40 Ų4067.2 Ų67.221%0.20935%0.353CS..THydrogen-bonded Turntrans-64.2-48.1-177.9-177.564000110.9D103 K107 G108 Y109 F110 R128 A149D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 WeakPolarHBondContact OD1-CA 3.34Å; D103-L105 WeakPolarHBondContact OD1-CB 3.38Å; D103-L105 PolarHBondContact OD1-N 3.03Å; L105-K107 PolarHBondContact O-N 3.1Å; L105-G108 PolarHBondContact O-N 2.83Å; L105-Y109 WeakPolarHBondContact CA-O 3.19Å; L105-Y109 PolarHBondContact N-O 3.48Å; L105-F110 HydrophobicContact CD1-CD1 3.6Å; L105-F110 HydrophobicContact CD1-CE1 3.56Å; L105-F110 HydrophobicContact CD1-CZ 4.5Å; L105-R128 HydrophobicContact CD1-CG 3.98Å; L105-A149 WeakPolarHBondContact CD2-O 3.47Å
106R94.3Very high93.5Very high212 Ų21261.7 Ų61.780%0.832%0.323SS*.THydrogen-bonded Turntrans-62.3-24.7175.3-73.4-179.569.7177.62.8113.5D103 G108D103-R106 HydrophobicContact CB-CB 4.15Å; D103-R106 HydrophobicContact CB-CG 4.3Å; D103-R106 VanDerWaalsContact CG-CG 3.47Å; D103-R106 PolarHBondContact OD1-N 3.2Å; D103-R106 WeakPolarHBondContact OD2-CD 2.92Å; D103-R106 VanDerWaalsContact OD2-CG 3.25Å; D103-R106 WeakPolarHBondContact OD2-CG 3.28Å; R106-G108 VanDerWaalsContact C-N 3.32Å
107K94.9Very high94Very high123 Ų12366.3 Ų66.354%0.53533%0.333SS..THydrogen-bonded Turntrans-89.83.8175.7-61.4-66.7-175.4175.40113.1L82 D103 C104 L105 Y109L82-K107 HydrophobicContact CB-CG 4.35Å; L82-K107 HydrophobicContact CD1-CB 4.27Å; L82-K107 HydrophobicContact CD1-CG 4.29Å; L82-K107 HydrophobicContact CD2-CB 4.02Å; L82-K107 HydrophobicContact CD2-CG 4.18Å; L82-K107 WeakPolarHBondContact O-CE 3.37Å; D103-K107 VanDerWaalsContact O-CG 3.27Å; D103-K107 WeakPolarHBondContact O-CG 3.43Å; D103-K107 PolarHBondContact O-N 3.23Å; C104-K107 CarbonylContact O-C 3.46Å; C104-K107 PolarHBondContact O-N 3.11Å; C104-K107 VanDerWaalsContact O-N 3.15Å; L105-K107 PolarHBondContact O-N 3.1Å; K107-Y109 HydrophobicContact CB-CD2 4.12Å; K107-Y109 HydrophobicContact CB-CE2 4.43Å
108G95.1Very high94.4Very high33 Ų3363.5 Ų63.534%0.3430%0.299SS..THydrogen-bonded Turntrans8719175.600000114.8P72 C104 L105 R106P72-G108 VanDerWaalsContact CB-O 3.28Å; P72-G108 WeakPolarHBondContact CB-O 3.42Å; P72-G108 WeakPolarHBondContact CG-O 3.33Å; C104-G108 PolarHBondContact O-N 3.42Å; C104-G108 VanDerWaalsContact O-N 3.17Å; L105-G108 PolarHBondContact O-N 2.83Å; R106-G108 VanDerWaalsContact C-N 3.32Å
109Y96.8Very high94.5Very high81 Ų8158.3 Ų58.332%0.31828%0.281SS..  trans-116.1128.6177.8-60.4-74.8000111.4P72 T73 I74 L82 C104 L105 K107P72-Y109 HydrophobicContact CB-CD1 4.36Å; T73-Y109 WeakPolarHBondContact O-CD1 3.19Å; I74-Y109 HydrophobicContact CB-CD1 3.79Å; I74-Y109 HydrophobicContact CB-CD2 4.26Å; I74-Y109 HydrophobicContact CB-CE1 4.19Å; I74-Y109 HydrophobicContact CB-CG 3.82Å; I74-Y109 HydrophobicContact CD1-CD2 4.1Å; I74-Y109 HydrophobicContact CD1-CE2 4.04Å; I74-Y109 HydrophobicContact CG2-CD1 4.45Å; I74-Y109 HydrophobicContact CG2-CG 4.06Å; L82-Y109 HydrophobicContact CD1-CD2 4.45Å; L82-Y109 HydrophobicContact CD2-CD2 4.24Å; L82-Y109 HydrophobicContact CD2-CE2 3.79Å; C104-Y109 CarbonylContact C-O 3.56Å; C104-Y109 PolarHBondContact O-N 2.9Å; C104-Y109 VanDerWaalsContact O-O 3.09Å; L105-Y109 WeakPolarHBondContact CA-O 3.19Å; L105-Y109 PolarHBondContact N-O 3.48Å; K107-Y109 HydrophobicContact CB-CD2 4.12Å; K107-Y109 HydrophobicContact CB-CE2 4.43Å
110F96.9Very high94.4Very high36 Ų3666.8 Ų66.816%0.15831%0.313CS..  trans-98-34.6-177-70.37.5000111.9Y70 P72 L105 R128 F129Y70-F110 HydrophobicContact CD1-CD2 4.35Å; Y70-F110 AromaticContact CD1-CE2 3.66Å; Y70-F110 HydrophobicContact CD1-CE2 3.66Å; Y70-F110 AromaticContact CD1-CZ 3.82Å; Y70-F110 HydrophobicContact CD1-CZ 3.82Å; Y70-F110 HydrophobicContact CE1-CE1 4.46Å; Y70-F110 HydrophobicContact CE1-CE2 4.26Å; Y70-F110 HydrophobicContact CE1-CZ 4.02Å; Y70-F110 WeakPolarHBondContact O-CD2 3.22Å; Y70-F110 WeakPolarHBondContact O-CE2 3.26Å; P72-F110 HydrophobicContact CG-CB 4.46Å; P72-F110 HydrophobicContact CG-CD1 4.1Å; P72-F110 HydrophobicContact CG-CG 4.15Å; P72-F110 PolarHBondContact O-N 3.24Å; L105-F110 HydrophobicContact CD1-CD1 3.6Å; L105-F110 HydrophobicContact CD1-CE1 3.56Å; L105-F110 HydrophobicContact CD1-CZ 4.5Å; F110-R128 HydrophobicContact CB-CB 4.39Å; F110-R128 HydrophobicContact CB-CG 4.42Å; F110-R128 HydrophobicContact CG-CG 4.45Å; F110-R128 WeakPolarHBondContact O-CA 3.39Å; F110-R128 WeakPolarHBondContact O-CB 3.18Å; F110-R128 PolarHBondContact O-N 3.29Å; F110-F129 PolarHBondContact O-N 3.44Å
111K97.7Very high94.3Very high74 Ų7467.2 Ų67.232%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-122.2133.2-176.2-175.2170.2-172.6175.40113P72 T73 I74 L113 F129P72-K111 PolarHBondContact O-N 3.19Å; T73-K111 CarbonylContact C-O 3.17Å; T73-K111 VanDerWaalsContact CA-O 3.24Å; T73-K111 WeakPolarHBondContact CA-O 3.38Å; T73-K111 HydrophobicContact CG2-CB 3.95Å; T73-K111 HydrophobicContact CG2-CG 4.45Å; I74-K111 PolarHBondContact N-O 3.39Å; K111-L113 HydrophobicContact CD-CD2 4.14Å; K111-L113 HydrophobicContact CG-CD2 4.11Å; K111-F129 CarbonylContact C-O 3.59Å; K111-F129 VanDerWaalsContact CA-O 3.28Å; K111-F129 WeakPolarHBondContact CA-O 3.38Å; K111-F129 HydrophobicContact CB-CB 3.88Å; K111-F129 HydrophobicContact CB-CD2 4.48Å; K111-F129 HydrophobicContact CD-CB 4.13Å; K111-F129 HydrophobicContact CG-CB 3.75Å
112V97.5Very high94.2Very high0 Ų066.4 Ų66.40%031%0.311CS..EExtended strand (participates in β ladder)trans-102.2127.6175.1-178.30000110.6I74 L76 I79 C104 V125 A127 F129 F130 S131 A134I74-V112 HydrophobicContact CG2-CG2 3.97Å; I74-V112 CarbonylContact O-C 3.55Å; I74-V112 WeakPolarHBondContact O-CA 3.39Å; L76-V112 HydrophobicContact CD2-CG1 3.72Å; I79-V112 HydrophobicContact CD1-CG1 3.82Å; C104-V112 HydrophobicContact CB-CG2 4.46Å; V112-V125 HydrophobicContact CG2-CG1 3.97Å; V112-A127 HydrophobicContact CG2-CB 3.67Å; V112-F129 PolarHBondContact N-O 2.85Å; V112-F130 HydrophobicContact CB-CD1 3.65Å; V112-F130 HydrophobicContact CB-CE1 3.82Å; V112-F130 HydrophobicContact CG1-CD1 4.19Å; V112-F130 HydrophobicContact CG1-CE1 4.32Å; V112-F130 HydrophobicContact CG2-CD1 4.13Å; V112-F130 HydrophobicContact CG2-CE1 3.78Å; V112-F130 HydrophobicContact CG2-CZ 4.49Å; V112-S131 PolarHBondContact O-N 3.29Å; V112-A134 HydrophobicContact CG1-CB 4.12Å
113L98.1Very high94.2Very high47 Ų4766.2 Ų66.225%0.24631%0.311CS..EExtended strand (participates in β ladder)trans-112.3147.5-176.2-62.9-179.5000111.8T73 I74 N75 L76 K111 K115T73-L113 HydrophobicContact CG2-CD1 4.19Å; I74-L113 PolarHBondContact O-N 3.23Å; N75-L113 WeakPolarHBondContact CA-O 3.29Å; N75-L113 WeakPolarHBondContact OD1-CB 3.31Å; L76-L113 WeakPolarHBondContact CG-O 3.38Å; L76-L113 PolarHBondContact N-O 3.17Å; K111-L113 HydrophobicContact CD-CD2 4.14Å; K111-L113 HydrophobicContact CG-CD2 4.11Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 2.89Å
114G96.1Very high94.1Very high6 Ų666.4 Ų66.46%0.06231%0.311CS..  trans-83.718.5-169.300000117.3S131 K137G114-S131 PolarHBondContact N-OG 3.29Å; G114-S131 VanDerWaalsContact N-OG 3.17Å; G114-K137 PolarHBondContact O-NZ 3.12Å
115K97.1Very high94.1Very high138 Ų13866.4 Ų66.460%0.631%0.311SS*.  trans-74.2141.7177.2-169.9-172.6174.8-174.70110.3N75 L76 D77 L113N75-K115 HydrophobicContact CB-CB 4.02Å; N75-K115 WeakPolarHBondContact OD1-CB 3.1Å; L76-K115 PolarHBondContact N-O 3.4Å; D77-K115 PolarHBondContact N-O 2.99Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 2.89Å
116G93.7Very high94.2Very high20 Ų2068 Ų6821%0.20632%0.316CS..SBendtrans85.3-171.2175.700000114.5K137G116-K137 PolarHBondContact O-NZ 3.24Å
117Y89.4Confident94.4Very high207 Ų20757.9 Ų57.981%0.81228%0.278SS*.  trans-115.2143.1-177.4-62.6-87.5000109.8
118L90.4Very high94.4Very high20 Ų2056.4 Ų56.411%0.10527%0.269CS..  trans-91.7140.3164.2-74168.8000108.2L76 I79 V123 I138 V141L76-L118 HydrophobicContact CB-CD2 4.15Å; L76-L118 HydrophobicContact CB-CG 4.03Å; L76-L118 HydrophobicContact CD1-CD1 4.04Å; L76-L118 HydrophobicContact CD1-CG 4.2Å; L76-L118 HydrophobicContact CD2-CD1 4.13Å; L76-L118 HydrophobicContact CD2-CG 4.5Å; L76-L118 HydrophobicContact CG-CD1 4.47Å; L76-L118 HydrophobicContact CG-CG 4.47Å; I79-L118 HydrophobicContact CB-CD2 4.47Å; L118-V123 HydrophobicContact CD1-CG1 4.46Å; L118-I138 HydrophobicContact CD1-CB 4.48Å; L118-I138 HydrophobicContact CD1-CG1 3.74Å; L118-V141 HydrophobicContact CB-CG1 3.98Å; L118-V141 HydrophobicContact CB-CG2 4.38Å; L118-V141 HydrophobicContact CD1-CG2 3.96Å
119P89.6Confident94.5Very high38 Ų3859.5 Ų59.525%0.24727%0.273CS..  trans-58.3155.4164.828.6-34.3000109.2W80 Y88 V121W80-P119 VanDerWaalsContact CD1-CD 3.43Å; W80-P119 HydrophobicContact CD2-CG 4.5Å; W80-P119 HydrophobicContact CG-CG 4.33Å; W80-P119 HydrophobicContact CZ2-CG 4.37Å; W80-P119 VanDerWaalsContact NE1-CD 3.28Å; Y88-P119 HydrophobicContact CE2-CB 4.49Å; Y88-P119 HydrophobicContact CE2-CG 3.99Å; P119-V121 HydrophobicContact CB-CG2 4.33Å; P119-V121 PolarHBondContact O-N 3.4Å
120K88.1Confident94.6Very high204 Ų20457.2 Ų57.289%0.88727%0.265SS*.SBendtrans-73.251.4176.9-61.6-175.3179.8-178.60111.7
121V89.9Confident94.6Very high13 Ų1356.8 Ų56.88%0.07927%0.267CS..SBendtrans-122.7121177.7-179.20000106.6W80 Y88 R92 P119 V123W80-V121 HydrophobicContact CH2-CB 4.26Å; W80-V121 HydrophobicContact CH2-CG1 3.73Å; W80-V121 HydrophobicContact CZ2-CB 3.88Å; W80-V121 HydrophobicContact CZ2-CG1 3.86Å; Y88-V121 HydrophobicContact CE2-CG2 4.49Å; R92-V121 HydrophobicContact CB-CG2 4.44Å; R92-V121 HydrophobicContact CG-CG2 4.35Å; P119-V121 HydrophobicContact CB-CG2 4.33Å; P119-V121 PolarHBondContact O-N 3.4Å; V121-V123 PolarHBondContact O-N 3.06Å
122P92.4Very high94.6Very high61 Ų6162.7 Ų62.740%0.39629%0.287SS..  trans-54.7136.8177.3-27.836.2000111.8A99 P100 V141A99-P122 HydrophobicContact CB-CB 4.13Å; P100-P122 WeakPolarHBondContact CD-O 3.22Å; P122-V141 WeakPolarHBondContact CA-O 3.42Å
123V93.2Very high94.6Very high0 Ų068.4 Ų68.40%031%0.312CS..  trans-143.2136.3-177.362.30000111.6W80 I102 L118 V121 V125 V141 G143 A144W80-V123 HydrophobicContact CH2-CB 4.5Å; W80-V123 HydrophobicContact CZ2-CB 3.99Å; W80-V123 HydrophobicContact CZ2-CG2 4.29Å; I102-V123 HydrophobicContact CD1-CG2 3.63Å; I102-V123 HydrophobicContact CG1-CG2 3.95Å; L118-V123 HydrophobicContact CD1-CG1 4.46Å; V121-V123 PolarHBondContact O-N 3.06Å; V123-V125 HydrophobicContact CG1-CG2 4.21Å; V123-V125 HydrophobicContact CG2-CG2 4.03Å; V123-V141 HydrophobicContact CG1-CG2 4.39Å; V123-G143 CarbonylContact O-C 3.44Å; V123-G143 WeakPolarHBondContact O-CA 3.38Å; V123-A144 PolarHBondContact O-N 3.01Å
124I94.7Very high94.5Very high42 Ų4266.2 Ų66.222%0.21530%0.3CS..EExtended strand (participates in β ladder)trans-101.2118.8173.5-62.1169.6000107.8A99 P100 V101 I102 A144 I146A99-I124 HydrophobicContact CB-CD1 4.16Å; A99-I124 HydrophobicContact CB-CG1 4.02Å; P100-I124 PolarHBondContact O-N 3.31Å; V101-I124 CarbonylContact C-O 3.56Å; V101-I124 WeakPolarHBondContact CA-O 3.29Å; V101-I124 HydrophobicContact CG1-CG2 4.38Å; V101-I124 HydrophobicContact CG2-CB 4.14Å; V101-I124 HydrophobicContact CG2-CD1 4.22Å; V101-I124 HydrophobicContact CG2-CG2 4.19Å; I102-I124 PolarHBondContact N-O 3.18Å; I124-A144 CarbonylContact C-O 3.58Å; I124-A144 WeakPolarHBondContact CA-O 3.47Å; I124-A144 HydrophobicContact CG1-CB 4.31Å; I124-I146 HydrophobicContact CG2-CD1 3.35Å; I124-I146 HydrophobicContact CG2-CG1 3.92Å
125V96Very high94.5Very high0 Ų069.5 Ų69.50%031%0.314CS..EExtended strand (participates in β ladder)trans-110122.3-177.3-173.50000109.4I79 C104 V112 V123 F130 I138 A144 I146I79-V125 HydrophobicContact CD1-CG1 4.31Å; I79-V125 HydrophobicContact CD1-CG2 4.08Å; I79-V125 HydrophobicContact CG2-CG2 4.39Å; C104-V125 VanDerWaalsContact SG-CG1 3.6Å; V112-V125 HydrophobicContact CG2-CG1 3.97Å; V123-V125 HydrophobicContact CG1-CG2 4.21Å; V123-V125 HydrophobicContact CG2-CG2 4.03Å; V125-F130 HydrophobicContact CB-CE1 4.03Å; V125-F130 HydrophobicContact CB-CZ 4.31Å; V125-F130 HydrophobicContact CG1-CE1 3.76Å; V125-F130 HydrophobicContact CG1-CZ 4.1Å; V125-F130 WeakPolarHBondContact O-CZ 3.36Å; V125-I138 HydrophobicContact CB-CD1 4.15Å; V125-I138 HydrophobicContact CG2-CD1 3.87Å; V125-I138 HydrophobicContact CG2-CG1 4.39Å; V125-A144 PolarHBondContact N-O 2.91Å; V125-I146 PolarHBondContact O-N 3.4Å
126K97.1Very high94.5Very high72 Ų7267.9 Ų67.931%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-100.1120173.5-74.1178.9176.3-173.90110.2V101 I102 C104 I146V101-K126 HydrophobicContact CG1-CD 3.71Å; V101-K126 HydrophobicContact CG1-CG 4.06Å; I102-K126 PolarHBondContact O-N 3.26Å; C104-K126 VanDerWaalsContact CB-O 3.25Å; C104-K126 WeakPolarHBondContact CB-O 3.47Å; C104-K126 PolarHBondContact N-O 3.18Å; K126-I146 WeakPolarHBondContact CA-O 3.47Å; K126-I146 HydrophobicContact CG-CB 3.78Å; K126-I146 HydrophobicContact CG-CD1 4.23Å; K126-I146 HydrophobicContact CG-CG2 3.92Å
127A97.2Very high94.6Very high0 Ų069.5 Ų69.50%031%0.31CS..EExtended strand (participates in β ladder)trans-153.2167.117600000111.2C104 V112 F130 I146 L147 S148C104-A127 HydrophobicContact CB-CB 4.07Å; V112-A127 HydrophobicContact CG2-CB 3.67Å; A127-F130 HydrophobicContact CB-CE1 4.14Å; A127-F130 HydrophobicContact CB-CE2 3.87Å; A127-F130 HydrophobicContact CB-CZ 3.57Å; A127-I146 PolarHBondContact N-O 3.23Å; A127-L147 WeakPolarHBondContact O-CA 3.2Å; A127-S148 PolarHBondContact O-N 3.44Å
128R96.5Very high94.9Very high92 Ų9259.7 Ų59.735%0.34727%0.271SS..SBendtrans-74.5-35175.3-58-172.165.6-174.6-0.1112.2L105 F110 S148 A149L105-R128 HydrophobicContact CD1-CG 3.98Å; F110-R128 HydrophobicContact CB-CB 4.39Å; F110-R128 HydrophobicContact CB-CG 4.42Å; F110-R128 HydrophobicContact CG-CG 4.45Å; F110-R128 WeakPolarHBondContact O-CA 3.39Å; F110-R128 WeakPolarHBondContact O-CB 3.18Å; F110-R128 PolarHBondContact O-N 3.29Å; R128-S148 WeakPolarHBondContact CA-O 3.35Å; R128-S148 WeakPolarHBondContact CG-O 3.42Å; R128-A149 PolarHBondContact NE-OXT 3.06Å
129F97.1Very high95.1Very high98 Ų9864.7 Ų64.743%0.4329%0.292SS..EExtended strand (participates in β ladder)trans-140.1147.5-175-54.7-70.8000112.1F110 K111 V112F110-F129 PolarHBondContact O-N 3.44Å; K111-F129 CarbonylContact C-O 3.59Å; K111-F129 VanDerWaalsContact CA-O 3.28Å; K111-F129 WeakPolarHBondContact CA-O 3.38Å; K111-F129 HydrophobicContact CB-CB 3.88Å; K111-F129 HydrophobicContact CB-CD2 4.48Å; K111-F129 HydrophobicContact CD-CB 4.13Å; K111-F129 HydrophobicContact CG-CB 3.75Å; V112-F129 PolarHBondContact N-O 2.85Å
130F97.6Very high95.3Very high34 Ų3467 Ų6715%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-128.5143.7172.1-64.8-91.9000109.6V112 V125 A127 I138 C145 L147V112-F130 HydrophobicContact CB-CD1 3.65Å; V112-F130 HydrophobicContact CB-CE1 3.82Å; V112-F130 HydrophobicContact CG1-CD1 4.19Å; V112-F130 HydrophobicContact CG1-CE1 4.32Å; V112-F130 HydrophobicContact CG2-CD1 4.13Å; V112-F130 HydrophobicContact CG2-CE1 3.78Å; V112-F130 HydrophobicContact CG2-CZ 4.49Å; V125-F130 HydrophobicContact CB-CE1 4.03Å; V125-F130 HydrophobicContact CB-CZ 4.31Å; V125-F130 HydrophobicContact CG1-CE1 3.76Å; V125-F130 HydrophobicContact CG1-CZ 4.1Å; V125-F130 WeakPolarHBondContact O-CZ 3.36Å; A127-F130 HydrophobicContact CB-CE1 4.14Å; A127-F130 HydrophobicContact CB-CE2 3.87Å; A127-F130 HydrophobicContact CB-CZ 3.57Å; F130-I138 HydrophobicContact CD1-CD1 4.23Å; F130-I138 HydrophobicContact CE1-CD1 4.12Å; F130-C145 HydrophobicContact CD1-CB 4.17Å; F130-C145 HydrophobicContact CD2-CB 4.12Å; F130-C145 HydrophobicContact CE1-CB 4.02Å; F130-C145 HydrophobicContact CE2-CB 3.96Å; F130-C145 HydrophobicContact CG-CB 4.23Å; F130-C145 HydrophobicContact CZ-CB 3.92Å; F130-L147 HydrophobicContact CD2-CD2 3.82Å; F130-L147 HydrophobicContact CE2-CD2 4.02Å
131S97.7Very high95.5Very high27 Ų2758.6 Ų58.619%0.18928%0.28CS..  trans-76.9148.9162.267.90000109.9V112 G114 K133 A134 E135V112-S131 PolarHBondContact O-N 3.29Å; G114-S131 PolarHBondContact N-OG 3.29Å; G114-S131 VanDerWaalsContact N-OG 3.17Å; S131-K133 VanDerWaalsContact C-N 3.25Å; S131-K133 PolarHBondContact O-N 2.91Å; S131-A134 WeakPolarHBondContact O-CA 3.44Å; S131-A134 VanDerWaalsContact O-CB 3.31Å; S131-A134 WeakPolarHBondContact O-CB 3.22Å; S131-A134 PolarHBondContact O-N 3.43Å; S131-A134 VanDerWaalsContact OG-CB 3.29Å; S131-A134 WeakPolarHBondContact OG-CB 3.21Å; S131-A134 PolarHBondContact OG-N 2.98Å; S131-E135 PolarHBondContact O-N 3.35Å
132R97.1Very high95.6Very high198 Ų19860.7 Ų60.775%0.74731%0.305SS*.Hα-helixtrans-48.1-47.9175.5-175.2179.772.1-178.4-1112.5A134 E135 E136R132-A134 VanDerWaalsContact C-N 3.28Å; R132-A134 PolarHBondContact O-N 3Å; R132-E135 WeakPolarHBondContact O-CB 3.47Å; R132-E135 PolarHBondContact O-N 3.19Å; R132-E136 WeakPolarHBondContact CG-OE1 3.24Å; R132-E136 IonicContact NE-OE1 2.64Å; R132-E136 WeakPolarHBondContact O-CG 3.23Å; R132-E136 PolarHBondContact O-N 3.06Å
133K97Very high95.6Very high120 Ų12058.4 Ų58.452%0.52229%0.293SS..Hα-helixtrans-62.5-31177.6-171.5174.4-174.31700113.6S131 K137S131-K133 VanDerWaalsContact C-N 3.25Å; S131-K133 PolarHBondContact O-N 2.91Å; K133-K137 WeakPolarHBondContact O-CG 3.46Å; K133-K137 PolarHBondContact O-N 3.25Å
134A96.9Very high95.7Very high0 Ų060.4 Ų60.40%031%0.309CS..Hα-helixtrans-70.3-45.8175.800000110.5L76 V112 S131 R132 K137 I138L76-A134 HydrophobicContact CD2-CB 4.14Å; L76-A134 HydrophobicContact CG-CB 4.47Å; V112-A134 HydrophobicContact CG1-CB 4.12Å; S131-A134 WeakPolarHBondContact O-CA 3.44Å; S131-A134 VanDerWaalsContact O-CB 3.31Å; S131-A134 WeakPolarHBondContact O-CB 3.22Å; S131-A134 PolarHBondContact O-N 3.43Å; S131-A134 VanDerWaalsContact OG-CB 3.29Å; S131-A134 WeakPolarHBondContact OG-CB 3.21Å; S131-A134 PolarHBondContact OG-N 2.98Å; R132-A134 VanDerWaalsContact C-N 3.28Å; R132-A134 PolarHBondContact O-N 3Å; A134-K137 PolarHBondContact O-N 2.91Å; A134-I138 VanDerWaalsContact O-CG1 3.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.5Å; A134-I138 PolarHBondContact O-N 3.38Å
135E96.5Very high95.8Very high75 Ų7560.2 Ų60.235%0.3531%0.311SS..Hα-helixtrans-61.2-48.2179.2-171.6-174.3165.200112S131 R132 K137 I138 K139S131-E135 PolarHBondContact O-N 3.35Å; R132-E135 WeakPolarHBondContact O-CB 3.47Å; R132-E135 PolarHBondContact O-N 3.19Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-K137 PolarHBondContact O-N 2.95Å; E135-I138 PolarHBondContact O-N 3.24Å; E135-K139 HydrophobicContact CG-CD 4.14Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 WeakPolarHBondContact O-CG 3.11Å; E135-K139 PolarHBondContact O-N 3.4Å; E135-K139 WeakPolarHBondContact OE1-CE 3.46Å; E135-K139 IonicContact OE1-NZ 3.7Å; E135-K139 PolarHBondContact OE1-NZ 3.32Å
136E96.3Very high95.8Very high105 Ų10563.3 Ų63.349%0.49133%0.327SS..Hα-helixtrans-54.9-46.1176.5-73.3165.9179.800111.9R132 K139 A140R132-E136 WeakPolarHBondContact CG-OE1 3.24Å; R132-E136 IonicContact NE-OE1 2.64Å; R132-E136 WeakPolarHBondContact O-CG 3.23Å; R132-E136 PolarHBondContact O-N 3.06Å; E136-K139 PolarHBondContact O-N 3.08Å; E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.48Å; E136-A140 PolarHBondContact O-N 3.35Å
137K95.9Very high95.8Very high54 Ų5466.2 Ų66.224%0.23535%0.345CS..Hα-helixtrans-70.9-37.2-179.2-76.4179.9172.7-174.50113.4L76 G114 G116 K133 A134 E135 A140 V141L76-K137 HydrophobicContact CD1-CB 3.46Å; L76-K137 VanDerWaalsContact CD1-CB 3.46Å; L76-K137 HydrophobicContact CD1-CD 3.46Å; L76-K137 VanDerWaalsContact CD1-CD 3.46Å; L76-K137 HydrophobicContact CD1-CG 4.11Å; G114-K137 PolarHBondContact O-NZ 3.12Å; G116-K137 PolarHBondContact O-NZ 3.24Å; K133-K137 WeakPolarHBondContact O-CG 3.46Å; K133-K137 PolarHBondContact O-N 3.25Å; A134-K137 PolarHBondContact O-N 2.91Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-K137 PolarHBondContact O-N 2.95Å; K137-A140 PolarHBondContact O-N 3.2Å; K137-V141 PolarHBondContact O-N 3.38Å
138I95.5Very high95.5Very high0 Ų068.3 Ų68.30%036%0.36CS..Hα-helixtrans-65.3-45175.8-70.7164.7000109.4L76 L118 V125 F130 A134 E135 A140 V141 G143 C145L76-I138 HydrophobicContact CD2-CD1 3.79Å; L76-I138 HydrophobicContact CD2-CG1 3.85Å; L118-I138 HydrophobicContact CD1-CB 4.48Å; L118-I138 HydrophobicContact CD1-CG1 3.74Å; V125-I138 HydrophobicContact CB-CD1 4.15Å; V125-I138 HydrophobicContact CG2-CD1 3.87Å; V125-I138 HydrophobicContact CG2-CG1 4.39Å; F130-I138 HydrophobicContact CD1-CD1 4.23Å; F130-I138 HydrophobicContact CE1-CD1 4.12Å; A134-I138 VanDerWaalsContact O-CG1 3.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.5Å; A134-I138 PolarHBondContact O-N 3.38Å; E135-I138 PolarHBondContact O-N 3.24Å; I138-A140 VanDerWaalsContact C-N 3.33Å; I138-A140 PolarHBondContact O-N 3.27Å; I138-V141 WeakPolarHBondContact O-CG2 3.5Å; I138-V141 PolarHBondContact O-N 3.45Å; I138-G143 VanDerWaalsContact O-CA 3.27Å; I138-G143 WeakPolarHBondContact O-CA 3.48Å; I138-G143 PolarHBondContact O-N 2.9Å; I138-C145 WeakPolarHBondContact CD1-SG 3.23Å
139K95.1Very high95.1Very high125 Ų12569.4 Ų69.454%0.54339%0.388SS..Hα-helixtrans-61.6-40.1174.8-72.9175.1171.6175.50112E135 E136 V141 G142E135-K139 HydrophobicContact CG-CD 4.14Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 WeakPolarHBondContact O-CG 3.11Å; E135-K139 PolarHBondContact O-N 3.4Å; E135-K139 WeakPolarHBondContact OE1-CE 3.46Å; E135-K139 IonicContact OE1-NZ 3.7Å; E135-K139 PolarHBondContact OE1-NZ 3.32Å; E136-K139 PolarHBondContact O-N 3.08Å; K139-V141 VanDerWaalsContact C-N 3.27Å; K139-V141 PolarHBondContact O-N 3.43Å; K139-G142 PolarHBondContact O-N 3.41Å
140A94.3Very high95Very high86 Ų8668 Ų6871%0.71139%0.386SS*.Hα-helixtrans-63.5-26.7179.600000114.3E136 K137 I138 G142E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.48Å; E136-A140 PolarHBondContact O-N 3.35Å; K137-A140 PolarHBondContact O-N 3.2Å; I138-A140 VanDerWaalsContact C-N 3.33Å; I138-A140 PolarHBondContact O-N 3.27Å; A140-G142 VanDerWaalsContact C-N 3.31Å
141V92Very high94.8Very high28 Ų2869.7 Ų69.717%0.1740%0.399CS..THydrogen-bonded Turntrans-90.79.8174-60.50000113.2L118 P122 V123 K137 I138 K139 G143L118-V141 HydrophobicContact CB-CG1 3.98Å; L118-V141 HydrophobicContact CB-CG2 4.38Å; L118-V141 HydrophobicContact CD1-CG2 3.96Å; P122-V141 WeakPolarHBondContact CA-O 3.42Å; V123-V141 HydrophobicContact CG1-CG2 4.39Å; K137-V141 PolarHBondContact O-N 3.38Å; I138-V141 WeakPolarHBondContact O-CG2 3.5Å; I138-V141 PolarHBondContact O-N 3.45Å; K139-V141 VanDerWaalsContact C-N 3.27Å; K139-V141 PolarHBondContact O-N 3.43Å; V141-G143 VanDerWaalsContact C-N 3.28Å
142G91.6Very high94.7Very high58 Ų5872.1 Ų72.160%0.59841%0.41SS*.THydrogen-bonded Turntrans76.115.8-175.500000113.8K139 A140K139-G142 PolarHBondContact O-N 3.41Å; A140-G142 VanDerWaalsContact C-N 3.31Å
143G93.2Very high94.5Very high13 Ų1364.7 Ų64.713%0.13439%0.39CS..  trans-86.4175.5176.300000113.8V123 I138 V141V123-G143 CarbonylContact O-C 3.44Å; V123-G143 WeakPolarHBondContact O-CA 3.38Å; I138-G143 VanDerWaalsContact O-CA 3.27Å; I138-G143 WeakPolarHBondContact O-CA 3.48Å; I138-G143 PolarHBondContact O-N 2.9Å; V141-G143 VanDerWaalsContact C-N 3.28Å
144A95.4Very high94.4Very high42 Ų4261.3 Ų61.335%0.34738%0.382SS..EExtended strand (participates in β ladder)trans-131.8143.3177.100000111.7V123 I124 V125V123-A144 PolarHBondContact O-N 3.01Å; I124-A144 CarbonylContact C-O 3.58Å; I124-A144 WeakPolarHBondContact CA-O 3.47Å; I124-A144 HydrophobicContact CG1-CB 4.31Å; V125-A144 PolarHBondContact N-O 2.91Å
145C96.6Very high94.2Very high37 Ų3765.3 Ų65.325%0.2541%0.408CS..EExtended strand (participates in β ladder)trans-98.5124.5171.5-60.90000108.9F130 I138F130-C145 HydrophobicContact CD1-CB 4.17Å; F130-C145 HydrophobicContact CD2-CB 4.12Å; F130-C145 HydrophobicContact CE1-CB 4.02Å; F130-C145 HydrophobicContact CE2-CB 3.96Å; F130-C145 HydrophobicContact CG-CB 4.23Å; F130-C145 HydrophobicContact CZ-CB 3.92Å; I138-C145 WeakPolarHBondContact CD1-SG 3.23Å
146I96.4Very high94.1Very high66 Ų6664.6 Ų64.634%0.33841%0.412SS..EExtended strand (participates in β ladder)trans-113.2123.2176.4-61.9178.9000108.3I124 V125 K126 A127I124-I146 HydrophobicContact CG2-CD1 3.35Å; I124-I146 HydrophobicContact CG2-CG1 3.92Å; V125-I146 PolarHBondContact O-N 3.4Å; K126-I146 WeakPolarHBondContact CA-O 3.47Å; K126-I146 HydrophobicContact CG-CB 3.78Å; K126-I146 HydrophobicContact CG-CD1 4.23Å; K126-I146 HydrophobicContact CG-CG2 3.92Å; A127-I146 PolarHBondContact N-O 3.23Å
147L96.4Very high93.9Very high132 Ų13261.5 Ų61.569%0.69141%0.406SS*.EExtended strand (participates in β ladder)trans-76.5127.9171.1-64.1174.8000109.3A127 F130A127-L147 WeakPolarHBondContact O-CA 3.2Å; F130-L147 HydrophobicContact CD2-CD2 3.82Å; F130-L147 HydrophobicContact CE2-CD2 4.02Å
148S91.2Very high93.7Very high45 Ų4562.2 Ų62.232%0.31542%0.42SS..  trans-123.6145.8173.4-169.40000109.5A127 R128A127-S148 PolarHBondContact O-N 3.44Å; R128-S148 WeakPolarHBondContact CA-O 3.35Å; R128-S148 WeakPolarHBondContact CG-O 3.42Å
149A87.1Confident93.6Very high114 Ų11467.8 Ų67.894%0.94246%0.458SS*.  trans-80.70171.700000111L105 R128L105-A149 WeakPolarHBondContact CD2-O 3.47Å; R128-A149 PolarHBondContact NE-OXT 3.06Å

Retrieved 149 of 149 residues in 41.2 ms (Link to these results)