A0A087XDI5_POEFO Loading...

Protein phosphatase 1A

Enzyme with a broad specificity. Negatively regulates TGF-beta signaling through dephosphorylating SMAD2 and SMAD3, resulting in their dissociation from SMAD4, nuclear export of the SMADs and termination of the TGF-beta-mediated signaling. Dephosphorylates PRKAA1 and PRKAA2. Plays an important role in the termination of TNF-alpha-mediated NF-kappa-B activation through dephosphorylating and inactivating IKBKB/IKKB.

AlphaFold DB , UniProt , Accession A0A087XDI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 384 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
1M46.1Very low87Confident246 Ų24699.1 Ų99.1100%1.21253%0.532SS*.  0137.80-85.4176-99.900106.7
2G64.9Low88Confident62 Ų6294.5 Ų94.564%0.63950%0.504SS*.  trans-66163.5-17600000112.3F4G2-F4 PolarHBondContact O-N 3.35Å
3A80.8Confident88.8Confident63 Ų6396.5 Ų96.552%0.52150%0.502SS..SBendtrans-77.7-4.6-178.700000114.2V34A3-V34 PolarHBondContact O-N 3.1Å
4F92.4Very high89.5Confident94 Ų9493.9 Ų93.941%0.41249%0.489SS..EExtended strand (participates in β ladder)trans-120.2146.6-172.5-58.6-66.1000112.8G2 W32 R282G2-F4 PolarHBondContact O-N 3.35Å; F4-W32 CarbonylContact C-O 3.53Å; F4-W32 VanDerWaalsContact CA-O 3.26Å; F4-W32 WeakPolarHBondContact CA-O 3.43Å; F4-W32 HydrophobicContact CD1-CB 4.01Å; F4-R282 HydrophobicContact CD1-CB 4.28Å; F4-R282 HydrophobicContact CE1-CB 3.67Å; F4-R282 WeakPolarHBondContact CE1-O 3.36Å; F4-R282 HydrophobicContact CZ-CB 4.32Å
5L94.3Very high90.1Very high46 Ų4690.7 Ų90.724%0.24148%0.477CS..EExtended strand (participates in β ladder)trans-80.1163.8171.3-62.8172.5000111.8K7 K9 W32 R33 V34L5-K7 VanDerWaalsContact CB-O 3.29Å; L5-K7 WeakPolarHBondContact CB-O 3.45Å; L5-K9 HydrophobicContact CD1-CD 4.3Å; L5-K9 HydrophobicContact CD1-CG 3.83Å; L5-W32 PolarHBondContact N-O 3.36Å; L5-R33 VanDerWaalsContact CD1-O 3.27Å; L5-R33 WeakPolarHBondContact CD1-O 3.3Å; L5-V34 HydrophobicContact CD2-CB 4.47Å; L5-V34 HydrophobicContact CD2-CG2 4.11Å; L5-V34 HydrophobicContact CG-CG2 4.44Å
6D93.6Very high90.6Very high159 Ų15992.7 Ų92.785%0.8548%0.483SS*.EExtended strand (participates in β ladder)trans-72.3-31.7174.2-62.9-32.9000112.8
7K94.1Very high91.1Very high86 Ų8688.4 Ų88.437%0.37447%0.467SS..EExtended strand (participates in β ladder)trans-136.4146172-67-169.6-176.9-161.30109.1L5 D373 D376L5-K7 VanDerWaalsContact CB-O 3.29Å; L5-K7 WeakPolarHBondContact CB-O 3.45Å; K7-D373 PolarHBondContact NZ-O 2.73Å; K7-D373 IonicContact NZ-OD1 2.7Å; K7-D373 PolarHBondContact NZ-OD1 3.47Å; K7-D376 IonicContact NZ-OD2 3.75Å; K7-D376 PolarHBondContact NZ-OD2 2.67Å
8P97.1Very high91.5Very high32 Ų3291.9 Ų91.921%0.20848%0.48CS..EExtended strand (participates in β ladder)trans-70.2142.5179.729.4-32.8000110.8M10 G31 W32 L277P8-M10 HydrophobicContact CG-CG 4.28Å; P8-M10 PolarHBondContact O-N 2.69Å; P8-G31 CarbonylContact C-O 3.57Å; P8-G31 VanDerWaalsContact CA-O 3.26Å; P8-G31 WeakPolarHBondContact CA-O 3.4Å; P8-W32 HydrophobicContact CB-CD2 3.91Å; P8-W32 HydrophobicContact CB-CE3 4.46Å; P8-W32 HydrophobicContact CB-CG 4.04Å; P8-W32 HydrophobicContact CB-CZ2 4.46Å; P8-W32 HydrophobicContact CG-CD2 4.3Å; P8-W32 HydrophobicContact CG-CH2 4.42Å; P8-W32 HydrophobicContact CG-CZ2 3.96Å; P8-L277 HydrophobicContact CB-CD1 4.15Å; P8-L277 HydrophobicContact CG-CD2 4.45Å
9K98.1Very high91.9Very high101 Ų10188.6 Ų88.644%0.43947%0.471SS..EExtended strand (participates in β ladder)trans-81.3108168.1-70.8-171.4-161.8163.80109.4L5 M29 Q30 G31L5-K9 HydrophobicContact CD1-CD 4.3Å; L5-K9 HydrophobicContact CD1-CG 3.83Å; K9-M29 VanDerWaalsContact O-CG 3.28Å; K9-M29 WeakPolarHBondContact O-CG 3.43Å; K9-Q30 HydrophobicContact CB-CB 4.19Å; K9-Q30 VanDerWaalsContact NZ-NE2 3.18Å; K9-G31 PolarHBondContact N-O 3.41Å; K9-G31 PolarHBondContact O-N 3.12Å; K9-G31 VanDerWaalsContact O-N 3.09Å
10M97.7Very high92.2Very high76 Ų7687.2 Ų87.237%0.37446%0.463SS..  trans-93.42.8-174.6-60.8177.9118.500114.5P8 K12 M29 L277 Y278P8-M10 HydrophobicContact CG-CG 4.28Å; P8-M10 PolarHBondContact O-N 2.69Å; M10-K12 PolarHBondContact O-N 2.96Å; M10-K12 PolarHBondContact O-NZ 3.46Å; M10-M29 HydrophobicContact CB-SD 4.35Å; M10-L277 HydrophobicContact CE-CD2 3.32Å; M10-L277 HydrophobicContact CG-CD2 4.17Å; M10-Y278 HydrophobicContact CE-CE1 3.59Å
11E98.4Very high92.4Very high125 Ų12588.7 Ų88.758%0.58447%0.471SS*.  trans-57.5133.6175-172.7178.816400110.4Y13E11-Y13 VanDerWaalsContact CD-OH 3.28Å; E11-Y13 PolarHBondContact OE1-OH 2.77Å
12K98.3Very high94.9Very high44 Ų4477.1 Ų77.119%0.19141%0.414CS..  trans-105.6130.1-178.4-59.1-62.1-169.1-72.80110M10 M29 N270 V273 D274M10-K12 PolarHBondContact O-N 2.96Å; M10-K12 PolarHBondContact O-NZ 3.46Å; K12-M29 HydrophobicContact CD-CB 4.04Å; K12-M29 HydrophobicContact CD-CG 4.29Å; K12-M29 HydrophobicContact CD-SD 4.15Å; K12-M29 PolarHBondContact NZ-SD 3.39Å; K12-N270 WeakPolarHBondContact CB-OD1 3.46Å; K12-N270 WeakPolarHBondContact CD-OD1 3.49Å; K12-N270 VanDerWaalsContact CG-OD1 3.27Å; K12-N270 WeakPolarHBondContact CG-OD1 3.37Å; K12-V273 HydrophobicContact CD-CG1 4.29Å; K12-D274 VanDerWaalsContact CE-OD1 3.25Å; K12-D274 WeakPolarHBondContact CE-OD1 3.18Å; K12-D274 IonicContact NZ-OD1 3.96Å; K12-D274 PolarHBondContact NZ-OD1 2.83Å; K12-D274 IonicContact NZ-OD2 3.54Å
13Y98.6Very high96.5Very high121 Ų12178.5 Ų78.548%0.47540%0.4SS..EExtended strand (participates in β ladder)trans-101.3109.2167.1-60.9-79.3000108.4E11 S27 S28E11-Y13 VanDerWaalsContact CD-OH 3.28Å; E11-Y13 PolarHBondContact OE1-OH 2.77Å; Y13-S27 WeakPolarHBondContact O-CA 3.49Å; Y13-S28 PolarHBondContact N-O 3.07Å; Y13-S28 PolarHBondContact O-N 3.45Å
14N98.7Very high97.4Very high60 Ų6076.7 Ų76.732%0.32138%0.38SS..EExtended strand (participates in β ladder)trans-109.1153-176.2-61.6-44.7000111.7L26 S27 E266 N270N14-L26 WeakPolarHBondContact CA-O 3.25Å; N14-L26 PolarHBondContact OD1-O 2.62Å; N14-S27 WeakPolarHBondContact OD1-CB 3.3Å; N14-S27 PolarHBondContact OD1-OG 3.49Å; N14-E266 HydrophobicContact CB-CB 4.22Å; N14-E266 HydrophobicContact CB-CG 4.06Å; N14-N270 PolarHBondContact ND2-ND2 2.78Å; N14-N270 VanDerWaalsContact ND2-ND2 3.14Å; N14-N270 PolarHBondContact ND2-OD1 2.95Å; N14-N270 PolarHBondContact OD1-OD1 2.82Å
15S98.1Very high97.7Very high45 Ų4572.2 Ų72.232%0.31536%0.36SS..EExtended strand (participates in β ladder)trans-150.8154.5166.2-168.10000109.2G25 L26 E266S15-G25 CarbonylContact O-C 3.51Å; S15-G25 WeakPolarHBondContact O-CA 3.4Å; S15-L26 PolarHBondContact N-O 3.43Å; S15-L26 PolarHBondContact O-N 2.93Å; S15-E266 VanDerWaalsContact C-OE1 3.3Å; S15-E266 WeakPolarHBondContact CA-OE1 3.36Å
16H98.6Very high97.9Very high123 Ų12370.1 Ų70.157%0.56935%0.349SS*.EExtended strand (participates in β ladder)trans-149.3165.5175.667.9-84.9000110.4Y24 E266H16-Y24 VanDerWaalsContact C-CZ 3.44Å; H16-Y24 VanDerWaalsContact CA-O 3.23Å; H16-Y24 WeakPolarHBondContact CA-O 3.47Å; H16-Y24 WeakPolarHBondContact CB-O 3.39Å; H16-Y24 PolarHBondContact O-OH 3.41Å; H16-E266 HydrophobicContact CB-CG 3.89Å; H16-E266 IonicContact CE1-OE1 3.58Å; H16-E266 IonicContact CG-OE1 2.69Å; H16-E266 PolarHBondContact N-OE1 3.09Å; H16-E266 VanDerWaalsContact ND1-CD 3.32Å; H16-E266 IonicContact ND1-OE1 3.34Å; H16-E266 PolarHBondContact ND1-OE1 3.12Å; H16-E266 IonicContact ND1-OE2 2.72Å
17G98.6Very high98.1Very high20 Ų2062.6 Ų62.621%0.20631%0.309CS..EExtended strand (participates in β ladder)trans-175.4174.3173.300000112.3R23 Y24G17-R23 CarbonylContact O-C 3.53Å; G17-R23 WeakPolarHBondContact O-CA 3.19Å; G17-Y24 VanDerWaalsContact N-CE1 3.26Å; G17-Y24 PolarHBondContact N-O 3.49Å; G17-Y24 VanDerWaalsContact N-O 3.16Å; G17-Y24 WeakPolarHBondContact O-CD1 3.37Å; G17-Y24 PolarHBondContact O-N 3.08Å
18E98.6Very high98.3Very high152 Ų15258.9 Ų58.971%0.7129%0.294SS*.EExtended strand (participates in β ladder)trans-147.4153.6-178.662.7178.4-15500111.7L22 R23E18-L22 CarbonylContact C-O 3.47Å; E18-L22 VanDerWaalsContact CA-O 3.25Å; E18-L22 WeakPolarHBondContact CA-O 3.39Å; E18-R23 HydrophobicContact CB-CG 3.98Å
19G98.4Very high98.4Very high29 Ų2957.4 Ų57.430%0.29928%0.284SS..EExtended strand (participates in β ladder)trans150.8165.1178.700000111.1N21 L22G19-N21 PolarHBondContact O-N 3.28Å; G19-N21 VanDerWaalsContact O-N 3.1Å; G19-L22 PolarHBondContact N-O 2.81Å; G19-L22 WeakPolarHBondContact O-CA 3.39Å; G19-L22 WeakPolarHBondContact O-CB 3.44Å; G19-L22 PolarHBondContact O-N 3.47Å
20N97.8Very high98.5Very high60 Ų6053.7 Ų53.732%0.32127%0.269SS..THydrogen-bonded Turntrans51.932.6-175.7-65.8-18.4000114.1L22 I44 D51 W53N20-L22 PolarHBondContact O-N 3.26Å; N20-I44 HydrophobicContact CB-CG2 4.08Å; N20-D51 PolarHBondContact ND2-O 3.1Å; N20-W53 PolarHBondContact ND2-O 3.18Å
21N97Very high98.5Very high118 Ų11850 Ų5063%0.63125%0.251SS*.THydrogen-bonded Turntrans6023.7-172.6-60.1-34.2000114.5G19 P293G19-N21 PolarHBondContact O-N 3.28Å; G19-N21 VanDerWaalsContact O-N 3.1Å; N21-P293 HydrophobicContact CB-CG 3.97Å; N21-P293 VanDerWaalsContact O-CD 3.3Å; N21-P293 WeakPolarHBondContact O-CD 3.42Å
22L98.6Very high98.5Very high3 Ų345.9 Ų45.92%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-113.4148.8174.1-53.9177.2000109.3E18 G19 N20 I44 F56 I135 I290 C291 F292E18-L22 CarbonylContact C-O 3.47Å; E18-L22 VanDerWaalsContact CA-O 3.25Å; E18-L22 WeakPolarHBondContact CA-O 3.39Å; G19-L22 PolarHBondContact N-O 2.81Å; G19-L22 WeakPolarHBondContact O-CA 3.39Å; G19-L22 WeakPolarHBondContact O-CB 3.44Å; G19-L22 PolarHBondContact O-N 3.47Å; N20-L22 PolarHBondContact O-N 3.26Å; L22-I44 HydrophobicContact CB-CD1 4.37Å; L22-F56 HydrophobicContact CD1-CE2 4.23Å; L22-I135 HydrophobicContact CD1-CB 4.45Å; L22-I135 HydrophobicContact CD1-CD1 3.84Å; L22-I135 HydrophobicContact CD1-CG2 4.3Å; L22-I290 HydrophobicContact CB-CG2 4.37Å; L22-I290 HydrophobicContact CD1-CG2 4.47Å; L22-I290 HydrophobicContact CD2-CG2 4.4Å; L22-C291 WeakPolarHBondContact CA-O 3.49Å; L22-F292 HydrophobicContact CD2-CD1 3.42Å; L22-F292 VanDerWaalsContact CD2-CD1 3.42Å; L22-F292 HydrophobicContact CD2-CE1 3.46Å; L22-F292 VanDerWaalsContact CD2-CE1 3.46Å; L22-F292 HydrophobicContact CD2-CG 4.25Å; L22-F292 HydrophobicContact CD2-CZ 4.31Å
23R98.8Very high98.5Very high91 Ų9147.3 Ų47.334%0.34323%0.234SC..EExtended strand (participates in β ladder)trans-125.3141.7163.4-65.5174.260.2-145.6-10.1107.1G17 E18 E263 L265 I290 C291G17-R23 CarbonylContact O-C 3.53Å; G17-R23 WeakPolarHBondContact O-CA 3.19Å; E18-R23 HydrophobicContact CB-CG 3.98Å; R23-E263 PolarHBondContact NH2-O 3.25Å; R23-L265 HydrophobicContact CB-CD1 3.77Å; R23-I290 CarbonylContact O-C 3.43Å; R23-C291 PolarHBondContact N-O 2.97Å; R23-C291 PolarHBondContact O-N 3.29Å
24Y98.9Very high98.4Very high25 Ų2544.1 Ų44.110%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-133.7153.8172.778-85.4000111.6H16 G17 L26 A42 I44 F56 L289H16-Y24 VanDerWaalsContact C-CZ 3.44Å; H16-Y24 VanDerWaalsContact CA-O 3.23Å; H16-Y24 WeakPolarHBondContact CA-O 3.47Å; H16-Y24 WeakPolarHBondContact CB-O 3.39Å; H16-Y24 PolarHBondContact O-OH 3.41Å; G17-Y24 VanDerWaalsContact N-CE1 3.26Å; G17-Y24 PolarHBondContact N-O 3.49Å; G17-Y24 VanDerWaalsContact N-O 3.16Å; G17-Y24 WeakPolarHBondContact O-CD1 3.37Å; G17-Y24 PolarHBondContact O-N 3.08Å; Y24-L26 HydrophobicContact CD2-CD2 4.37Å; Y24-L26 HydrophobicContact CE2-CD2 4.01Å; Y24-A42 HydrophobicContact CD2-CB 4.15Å; Y24-A42 HydrophobicContact CE2-CB 3.57Å; Y24-I44 HydrophobicContact CD1-CD1 3.83Å; Y24-I44 HydrophobicContact CD1-CG1 4.4Å; Y24-I44 HydrophobicContact CE1-CD1 4.05Å; Y24-I44 HydrophobicContact CE1-CG1 4.4Å; Y24-F56 AromaticContact CD1-CE1 3.55Å; Y24-F56 HydrophobicContact CD1-CE1 3.55Å; Y24-F56 AromaticContact CD1-CZ 3.94Å; Y24-F56 HydrophobicContact CD1-CZ 3.94Å; Y24-F56 HydrophobicContact CD2-CE1 4.07Å; Y24-F56 HydrophobicContact CE1-CE1 4.05Å; Y24-F56 HydrophobicContact CG-CD1 4.41Å; Y24-F56 AromaticContact CG-CE1 3.54Å; Y24-F56 HydrophobicContact CG-CE1 3.54Å; Y24-F56 HydrophobicContact CG-CZ 4.21Å; Y24-L289 CarbonylContact C-O 3.49Å; Y24-L289 WeakPolarHBondContact CA-O 3.47Å; Y24-L289 WeakPolarHBondContact CB-O 3.34Å
25G98.9Very high98.3Very high0 Ų047 Ų470%024%0.239CC..EExtended strand (participates in β ladder)trans-134.6151.3161.900000108.4S15 S269 L289S15-G25 CarbonylContact O-C 3.51Å; S15-G25 WeakPolarHBondContact O-CA 3.4Å; G25-S269 PolarHBondContact O-OG 2.95Å; G25-L289 PolarHBondContact N-O 3.07Å; G25-L289 PolarHBondContact O-N 2.87Å
26L98.7Very high98.4Very high2 Ų246.8 Ų46.81%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-139.4157.3174.865.883.3000110.6N14 S15 Y24 H40 A42 V287 V288N14-L26 WeakPolarHBondContact CA-O 3.25Å; N14-L26 PolarHBondContact OD1-O 2.62Å; S15-L26 PolarHBondContact N-O 3.43Å; S15-L26 PolarHBondContact O-N 2.93Å; Y24-L26 HydrophobicContact CD2-CD2 4.37Å; Y24-L26 HydrophobicContact CE2-CD2 4.01Å; L26-H40 VanDerWaalsContact CD2-CD2 3.44Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.23Å; L26-A42 HydrophobicContact CD2-CB 3.87Å; L26-V287 WeakPolarHBondContact CA-O 3.49Å; L26-V287 VanDerWaalsContact CB-O 3.24Å; L26-V287 WeakPolarHBondContact CB-O 3.27Å; L26-V288 HydrophobicContact CB-CB 4.29Å; L26-V288 HydrophobicContact CB-CG1 4.33Å; L26-V288 HydrophobicContact CB-CG2 3.91Å; L26-V288 HydrophobicContact CD2-CG2 4.3Å
27S98.9Very high98.3Very high1 Ų142.5 Ų42.51%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-143.2135.6173.7-174.80000109.2Y13 N14 N270 S286 V287Y13-S27 WeakPolarHBondContact O-CA 3.49Å; N14-S27 WeakPolarHBondContact OD1-CB 3.3Å; N14-S27 PolarHBondContact OD1-OG 3.49Å; S27-N270 WeakPolarHBondContact CB-OD1 3.09Å; S27-N270 PolarHBondContact OG-OD1 3.03Å; S27-S286 WeakPolarHBondContact O-CA 3.19Å; S27-V287 PolarHBondContact N-O 2.89Å; S27-V287 PolarHBondContact O-N 3.42Å
28S98.8Very high98.4Very high9 Ų942.2 Ų42.26%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-126.9145.2165.573.20000112.1Y13 M285 S286Y13-S28 PolarHBondContact N-O 3.07Å; Y13-S28 PolarHBondContact O-N 3.45Å; S28-M285 CarbonylContact C-O 3.51Å; S28-M285 VanDerWaalsContact CA-O 3.24Å; S28-M285 WeakPolarHBondContact CA-O 3.26Å; S28-S286 VanDerWaalsContact CB-OG 3.29Å; S28-S286 WeakPolarHBondContact CB-OG 3.49Å
29M98.8Very high98.4Very high0 Ų035.5 Ų35.50%018%0.177CC..EExtended strand (participates in β ladder)trans-146135.1-176.3-175.1-178.772.600110.8K9 M10 K12 V273 L277 M285K9-M29 VanDerWaalsContact O-CG 3.28Å; K9-M29 WeakPolarHBondContact O-CG 3.43Å; M10-M29 HydrophobicContact CB-SD 4.35Å; K12-M29 HydrophobicContact CD-CB 4.04Å; K12-M29 HydrophobicContact CD-CG 4.29Å; K12-M29 HydrophobicContact CD-SD 4.15Å; K12-M29 PolarHBondContact NZ-SD 3.39Å; M29-V273 HydrophobicContact CB-CG1 3.55Å; M29-V273 HydrophobicContact CE-CG1 3.41Å; M29-V273 VanDerWaalsContact CE-CG1 3.41Å; M29-V273 HydrophobicContact CG-CG1 4.24Å; M29-V273 HydrophobicContact SD-CG1 3.73Å; M29-L277 HydrophobicContact CE-CB 3.95Å; M29-L277 HydrophobicContact CE-CD1 4.06Å; M29-L277 HydrophobicContact CE-CD2 3.83Å; M29-L277 HydrophobicContact CE-CG 4.17Å; M29-L277 HydrophobicContact SD-CD2 4.47Å; M29-M285 HydrophobicContact CE-CE 3.29Å; M29-M285 HydrophobicContact CE-SD 4.16Å; M29-M285 PolarHBondContact N-O 3.21Å; M29-M285 PolarHBondContact O-N 2.89Å
30Q98.7Very high98.4Very high23 Ų2336.9 Ų36.911%0.10718%0.176CC..  trans-69-36.9179.9-176.6177.3-35.100112.7K9 R33 V34 M36 N284K9-Q30 HydrophobicContact CB-CB 4.19Å; K9-Q30 VanDerWaalsContact NZ-NE2 3.18Å; Q30-R33 PolarHBondContact NE2-O 2.87Å; Q30-V34 PolarHBondContact NE2-O 3.34Å; Q30-M36 HydrophobicContact CB-CB 4.15Å; Q30-M36 HydrophobicContact CB-SD 4.23Å; Q30-M36 HydrophobicContact CG-CB 4.02Å; Q30-N284 PolarHBondContact O-ND2 3.2Å
31G98.3Very high98.5Very high0 Ų034.6 Ų34.60%016%0.164CC..EExtended strand (participates in β ladder)trans66-135.7178.100000112.2P8 K9P8-G31 CarbonylContact C-O 3.57Å; P8-G31 VanDerWaalsContact CA-O 3.26Å; P8-G31 WeakPolarHBondContact CA-O 3.4Å; K9-G31 PolarHBondContact N-O 3.41Å; K9-G31 PolarHBondContact O-N 3.12Å; K9-G31 VanDerWaalsContact O-N 3.09Å
32W98.1Very high98.5Very high38 Ų3830.2 Ų30.214%0.14414%0.144CC..EExtended strand (participates in β ladder)trans-83.3-15.2-174.1-70.693.1000114.3F4 L5 P8 L277 R282 T380F4-W32 CarbonylContact C-O 3.53Å; F4-W32 VanDerWaalsContact CA-O 3.26Å; F4-W32 WeakPolarHBondContact CA-O 3.43Å; F4-W32 HydrophobicContact CD1-CB 4.01Å; L5-W32 PolarHBondContact N-O 3.36Å; P8-W32 HydrophobicContact CB-CD2 3.91Å; P8-W32 HydrophobicContact CB-CE3 4.46Å; P8-W32 HydrophobicContact CB-CG 4.04Å; P8-W32 HydrophobicContact CB-CZ2 4.46Å; P8-W32 HydrophobicContact CG-CD2 4.3Å; P8-W32 HydrophobicContact CG-CH2 4.42Å; P8-W32 HydrophobicContact CG-CZ2 3.96Å; W32-L277 VanDerWaalsContact CD1-CD1 3.49Å; W32-R282 HydrophobicContact CB-CB 4.1Å; W32-R282 HydrophobicContact CG-CB 4.28Å; W32-R282 HydrophobicContact CG-CG 4.43Å; W32-T380 HydrophobicContact CZ2-CG2 4.22Å
33R97.9Very high98.5Very high73 Ų7332.3 Ų32.328%0.27516%0.157SC..EExtended strand (participates in β ladder)trans-68.7150-178.6-60.6-60.9-15683.5-0.8111L5 Q30 E35 R282 D283 N284L5-R33 VanDerWaalsContact CD1-O 3.27Å; L5-R33 WeakPolarHBondContact CD1-O 3.3Å; Q30-R33 PolarHBondContact NE2-O 2.87Å; R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 WeakPolarHBondContact CB-O 3.31Å; R33-R282 WeakPolarHBondContact CD-O 3.39Å; R33-D283 IonicContact CZ-OD1 2.74Å; R33-D283 IonicContact CZ-OD2 3.3Å; R33-D283 IonicContact NE-OD1 3.31Å; R33-D283 PolarHBondContact NE-OD1 3.39Å; R33-D283 IonicContact NE-OD2 2.64Å; R33-D283 IonicContact NH1-OD1 2.68Å; R33-D283 IonicContact NH2-OD1 2.86Å; R33-D283 PolarHBondContact NH2-OD1 3.44Å; R33-D283 IonicContact NH2-OD2 3.67Å; R33-D283 PolarHBondContact NH2-OD2 3.21Å; R33-N284 WeakPolarHBondContact CB-ND2 3.39Å
34V97.4Very high98.5Very high55 Ų5530 Ų3033%0.33315%0.151SC..SBendtrans-68.1-35.5176.1176.80000111.9A3 L5 Q30A3-V34 PolarHBondContact O-N 3.1Å; L5-V34 HydrophobicContact CD2-CB 4.47Å; L5-V34 HydrophobicContact CD2-CG2 4.11Å; L5-V34 HydrophobicContact CG-CG2 4.44Å; Q30-V34 PolarHBondContact NE2-O 3.34Å
35E97.6Very high98.5Very high120 Ų12030.1 Ų30.156%0.56116%0.16SC*.SBendtrans-114.6158.4-179.8-58.6-57.6152.200111R33 E37 N284R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 WeakPolarHBondContact CB-O 3.31Å; E35-E37 HydrophobicContact CB-CG 4.15Å; E35-N284 PolarHBondContact O-ND2 2.97Å; E35-N284 PolarHBondContact O-OD1 3.06Å
36M98.3Very high98.3Very high41 Ų4130.2 Ų30.220%0.20216%0.16CC..  trans-108.6105.6169.6-18060.7174.300108.1Q30 D38 N284Q30-M36 HydrophobicContact CB-CB 4.15Å; Q30-M36 HydrophobicContact CB-SD 4.23Å; Q30-M36 HydrophobicContact CG-CB 4.02Å; M36-D38 HydrophobicContact CE-CB 3.64Å; M36-D38 HydrophobicContact SD-CB 4.29Å; M36-N284 WeakPolarHBondContact CA-OD1 3.37Å; M36-N284 HydrophobicContact SD-CB 3.86Å; M36-N284 VanDerWaalsContact SD-CG 3.57Å
37E98.6Very high97.9Very high32 Ų3233.3 Ų33.315%0.1518%0.181CC..  trans-104-14.8-174.4-57.2-166.7139.300113.2E35 G61 H62 A63 G64 A68 N284E35-E37 HydrophobicContact CB-CG 4.15Å; E37-G61 VanDerWaalsContact CB-O 3.24Å; E37-G61 WeakPolarHBondContact CB-O 3.47Å; E37-H62 WeakPolarHBondContact OE2-CA 3.36Å; E37-A63 PolarHBondContact OE2-N 3.39Å; E37-G64 WeakPolarHBondContact OE1-CA 3.32Å; E37-G64 PolarHBondContact OE1-N 3.28Å; E37-A68 WeakPolarHBondContact O-CB 3.5Å; E37-N284 PolarHBondContact N-OD1 3.46Å
38D98.8Very high97.4Very high14 Ų1440.2 Ų40.28%0.07521%0.213CC..  trans-65.5151.5174.8-71.64000113.5M36 Y59 C239 S286M36-D38 HydrophobicContact CE-CB 3.64Å; M36-D38 HydrophobicContact SD-CB 4.29Å; D38-Y59 CarbonylContact C-O 3.57Å; D38-Y59 VanDerWaalsContact CA-O 3.25Å; D38-Y59 WeakPolarHBondContact CA-O 3.24Å; D38-C239 PolarHBondContact OD2-SG 2.84Å; D38-C239 VanDerWaalsContact OD2-SG 3.33Å; D38-S286 WeakPolarHBondContact CB-OG 3.37Å; D38-S286 VanDerWaalsContact OD2-CB 3.3Å; D38-S286 WeakPolarHBondContact OD2-CB 3.44Å; D38-S286 PolarHBondContact OD2-N 3.4Å; D38-S286 PolarHBondContact OD2-OG 3.39Å
39A98.9Very high96.7Very high11 Ų1142.4 Ų42.49%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-141.5171.1168.400000111.3Y59 A68 C72A39-Y59 HydrophobicContact CB-CD2 4.26Å; A39-Y59 PolarHBondContact N-O 2.82Å; A39-Y59 PolarHBondContact O-N 3.46Å; A39-A68 HydrophobicContact CB-CB 4.14Å; A39-C72 HydrophobicContact CB-CB 3.78Å
40H98.9Very high96.4Very high59 Ų5942.7 Ų42.727%0.27324%0.238SC..EExtended strand (participates in β ladder)trans-150.4158176.561.2-96.2000112.5L26 A57 C72L26-H40 VanDerWaalsContact CD2-CD2 3.44Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.23Å; H40-A57 CarbonylContact C-O 3.53Å; H40-A57 WeakPolarHBondContact CA-O 3.38Å; H40-A57 WeakPolarHBondContact CB-O 3.32Å; H40-C72 WeakPolarHBondContact O-CB 3.37Å
41T98.9Very high96.3Very high12 Ų1246.7 Ų46.77%0.07426%0.26CS..EExtended strand (participates in β ladder)trans-121.7134.1168.5-51.50000108.2V43 F55 F56 A57 Y59 C72T41-V43 HydrophobicContact CG2-CG2 3.92Å; T41-F55 HydrophobicContact CG2-CD1 3.72Å; T41-F55 HydrophobicContact CG2-CE1 3.95Å; T41-F56 CarbonylContact O-C 3.57Å; T41-F56 VanDerWaalsContact O-CA 3.27Å; T41-F56 WeakPolarHBondContact O-CA 3.38Å; T41-A57 PolarHBondContact N-O 3.17Å; T41-A57 PolarHBondContact O-N 2.85Å; T41-Y59 VanDerWaalsContact OG1-CE2 3.26Å; T41-Y59 WeakPolarHBondContact OG1-CE2 3.45Å; T41-Y59 PolarHBondContact OG1-OH 3.31Å; T41-C72 WeakPolarHBondContact OG1-CA 3.19Å; T41-C72 PolarHBondContact OG1-O 3.39Å
42A98.6Very high96.2Very high25 Ų2549.6 Ų49.621%0.20728%0.279CS..EExtended strand (participates in β ladder)trans-140.8106.6172.400000109.7Y24 L26 F56Y24-A42 HydrophobicContact CD2-CB 4.15Å; Y24-A42 HydrophobicContact CE2-CB 3.57Å; L26-A42 HydrophobicContact CD2-CB 3.87Å; A42-F56 HydrophobicContact CB-CD1 3.73Å; A42-F56 HydrophobicContact CB-CE1 3.95Å
43V98.5Very high96.1Very high48 Ų4848.7 Ų48.729%0.29128%0.276SS..EExtended strand (participates in β ladder)trans-135.3124.4-175.6-177.80000109.7T41 L46 S54 F55T41-V43 HydrophobicContact CG2-CG2 3.92Å; V43-L46 HydrophobicContact CB-CD2 4.26Å; V43-L46 HydrophobicContact CG1-CD2 3.84Å; V43-S54 CarbonylContact O-C 3.51Å; V43-S54 VanDerWaalsContact O-CA 3.32Å; V43-S54 WeakPolarHBondContact O-CA 3.44Å; V43-S54 WeakPolarHBondContact O-CB 3.39Å; V43-F55 PolarHBondContact N-O 3.39Å; V43-F55 PolarHBondContact O-N 2.91Å
44I98.6Very high96.2Very high43 Ų4345.3 Ų45.322%0.22126%0.263CS..EExtended strand (participates in β ladder)trans-107.3126.3168-64178.2000107.6N20 L22 Y24 F56N20-I44 HydrophobicContact CB-CG2 4.08Å; L22-I44 HydrophobicContact CB-CD1 4.37Å; Y24-I44 HydrophobicContact CD1-CD1 3.83Å; Y24-I44 HydrophobicContact CD1-CG1 4.4Å; Y24-I44 HydrophobicContact CE1-CD1 4.05Å; Y24-I44 HydrophobicContact CE1-CG1 4.4Å; I44-F56 HydrophobicContact CD1-CZ 4.21Å; I44-F56 HydrophobicContact CG1-CE1 4.5Å; I44-F56 HydrophobicContact CG1-CE2 4.5Å; I44-F56 HydrophobicContact CG1-CZ 3.7Å
45G97.6Very high96.2Very high27 Ų2742.8 Ų42.828%0.27825%0.248SC..SBendtrans83.599.6-174.300000111.7D51 W53G45-D51 VanDerWaalsContact CA-O 3.26Å; G45-D51 WeakPolarHBondContact CA-O 3.46Å; G45-W53 VanDerWaalsContact CA-O 3.25Å; G45-W53 WeakPolarHBondContact CA-O 3.45Å; G45-W53 PolarHBondContact N-O 3.48Å
46L96Very high96.3Very high1 Ų137 Ų371%0.00522%0.221CC..  trans-88.4148.7179.9-53.6-170.8000110.8V43 L50 D51 W53 F55 L76V43-L46 HydrophobicContact CB-CD2 4.26Å; V43-L46 HydrophobicContact CG1-CD2 3.84Å; L46-L50 HydrophobicContact CB-CB 3.6Å; L46-L50 HydrophobicContact CB-CD1 4.48Å; L46-L50 WeakPolarHBondContact CB-O 3.27Å; L46-L50 PolarHBondContact N-O 3.37Å; L46-L50 VanDerWaalsContact N-O 3.16Å; L46-L50 CarbonylContact O-C 3Å; L46-D51 PolarHBondContact O-N 3.33Å; L46-D51 VanDerWaalsContact O-N 3.07Å; L46-W53 HydrophobicContact CB-CB 4.31Å; L46-W53 HydrophobicContact CD1-CB 3.66Å; L46-W53 HydrophobicContact CG-CB 3.78Å; L46-W53 PolarHBondContact N-O 3.21Å; L46-F55 HydrophobicContact CD1-CB 4.46Å; L46-F55 HydrophobicContact CD2-CB 3.94Å; L46-L76 HydrophobicContact CD1-CD1 4.11Å; L46-L76 HydrophobicContact CD2-CD1 4.41Å; L46-L76 HydrophobicContact CD2-CD2 3.86Å
47P90.1Very high96.3Very high68 Ų6835.1 Ų35.144%0.44221%0.212SC..SBendtrans-69.5175.3-17930.1-36.4000112.8G49 L50P47-G49 PolarHBondContact O-N 2.91Å; P47-L50 PolarHBondContact O-N 2.95Å
48H87.3Confident96.4Very high146 Ų14633.6 Ų33.668%0.67620%0.204SC*.THydrogen-bonded Turntrans61.640.8172-52.4-66.5000115.1L50H48-L50 VanDerWaalsContact C-N 3.35Å
49G85.4Confident96.4Very high55 Ų5533 Ų3357%0.56720%0.201SC*.THydrogen-bonded Turntrans85.17.7176.600000114.2P47 D51P47-G49 PolarHBondContact O-N 2.91Å; G49-D51 VanDerWaalsContact C-N 3.35Å
50L92.4Very high96.4Very high5 Ų533.1 Ų33.13%0.02620%0.2CC..  trans-99.726.8173.4-61.7171.6000111.7L46 P47 H48 P52 W53 T80 F85 I89L46-L50 HydrophobicContact CB-CB 3.6Å; L46-L50 HydrophobicContact CB-CD1 4.48Å; L46-L50 WeakPolarHBondContact CB-O 3.27Å; L46-L50 PolarHBondContact N-O 3.37Å; L46-L50 VanDerWaalsContact N-O 3.16Å; L46-L50 CarbonylContact O-C 3Å; P47-L50 PolarHBondContact O-N 2.95Å; H48-L50 VanDerWaalsContact C-N 3.35Å; L50-P52 VanDerWaalsContact C-N 3.25Å; L50-P52 VanDerWaalsContact O-N 3.14Å; L50-W53 HydrophobicContact CB-CB 4.22Å; L50-W53 HydrophobicContact CB-CG 4.18Å; L50-W53 HydrophobicContact CD2-CD2 4.19Å; L50-W53 HydrophobicContact CD2-CG 4.14Å; L50-W53 WeakPolarHBondContact O-CA 3.41Å; L50-W53 VanDerWaalsContact O-CB 3.28Å; L50-W53 WeakPolarHBondContact O-CB 3.32Å; L50-W53 PolarHBondContact O-N 3.03Å; L50-T80 HydrophobicContact CD1-CG2 4.06Å; L50-F85 HydrophobicContact CD1-CE1 3.75Å; L50-F85 HydrophobicContact CD1-CZ 4.34Å; L50-I89 HydrophobicContact CD1-CD1 3.84Å; L50-I89 HydrophobicContact CD2-CD1 3.85Å; L50-I89 HydrophobicContact CD2-CG1 4.1Å; L50-I89 HydrophobicContact CG-CD1 3.94Å
51D95.5Very high96.3Very high108 Ų10830.5 Ų30.558%0.57819%0.189SC*.THydrogen-bonded Turntrans-51-34.3177.5-58.1-75.8000114.3N20 G45 L46 G49 W53N20-D51 PolarHBondContact ND2-O 3.1Å; G45-D51 VanDerWaalsContact CA-O 3.26Å; G45-D51 WeakPolarHBondContact CA-O 3.46Å; L46-D51 PolarHBondContact O-N 3.33Å; L46-D51 VanDerWaalsContact O-N 3.07Å; G49-D51 VanDerWaalsContact C-N 3.35Å; D51-W53 PolarHBondContact O-N 3.47Å
52P96.1Very high96.3Very high61 Ų6131.6 Ų31.640%0.39619%0.193SC..THydrogen-bonded Turntrans-84517734.9-36.2000113.7L50 P137L50-P52 VanDerWaalsContact C-N 3.25Å; L50-P52 VanDerWaalsContact O-N 3.14Å; P52-P137 HydrophobicContact CB-CG 3.94Å; P52-P137 HydrophobicContact CG-CG 4.12Å
53W97.4Very high96.2Very high19 Ų1933.9 Ų33.97%0.07221%0.212CC..  trans-97.2158.2176.2-66.259.4000111.4N20 G45 L46 L50 D51 F85 T93 V98 M134 I135 Y141N20-W53 PolarHBondContact ND2-O 3.18Å; G45-W53 VanDerWaalsContact CA-O 3.25Å; G45-W53 WeakPolarHBondContact CA-O 3.45Å; G45-W53 PolarHBondContact N-O 3.48Å; L46-W53 HydrophobicContact CB-CB 4.31Å; L46-W53 HydrophobicContact CD1-CB 3.66Å; L46-W53 HydrophobicContact CG-CB 3.78Å; L46-W53 PolarHBondContact N-O 3.21Å; L50-W53 HydrophobicContact CB-CB 4.22Å; L50-W53 HydrophobicContact CB-CG 4.18Å; L50-W53 HydrophobicContact CD2-CD2 4.19Å; L50-W53 HydrophobicContact CD2-CG 4.14Å; L50-W53 WeakPolarHBondContact O-CA 3.41Å; L50-W53 VanDerWaalsContact O-CB 3.28Å; L50-W53 WeakPolarHBondContact O-CB 3.32Å; L50-W53 PolarHBondContact O-N 3.03Å; D51-W53 PolarHBondContact O-N 3.47Å; W53-F85 HydrophobicContact CZ3-CZ 4.47Å; W53-T93 HydrophobicContact CH2-CG2 4.05Å; W53-T93 HydrophobicContact CZ2-CG2 4.01Å; W53-V98 HydrophobicContact CH2-CG2 3.96Å; W53-V98 HydrophobicContact CZ3-CG1 4.44Å; W53-M134 HydrophobicContact CE3-CG 3.62Å; W53-M134 HydrophobicContact CE3-SD 3.8Å; W53-M134 HydrophobicContact CZ3-CG 3.85Å; W53-M134 HydrophobicContact CZ3-SD 3.72Å; W53-I135 CarbonylContact C-O 3.52Å; W53-I135 WeakPolarHBondContact CA-O 3.28Å; W53-Y141 AromaticContact CH2-CE2 3.93Å; W53-Y141 HydrophobicContact CH2-CE2 3.93Å; W53-Y141 HydrophobicContact CZ3-CD2 4.21Å; W53-Y141 AromaticContact CZ3-CE2 3.91Å; W53-Y141 HydrophobicContact CZ3-CE2 3.91Å
54S98.8Very high96.1Very high1 Ų132.3 Ų32.31%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-137.5154174.1-47.50000110.2V43 M134 I135V43-S54 CarbonylContact O-C 3.51Å; V43-S54 VanDerWaalsContact O-CA 3.32Å; V43-S54 WeakPolarHBondContact O-CA 3.44Å; V43-S54 WeakPolarHBondContact O-CB 3.39Å; S54-M134 WeakPolarHBondContact O-CA 3.42Å; S54-I135 PolarHBondContact N-O 2.96Å; S54-I135 PolarHBondContact O-N 2.64Å
55F98.9Very high96.1Very high2 Ų231.4 Ų31.41%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-137.9130178.9180-105.8000110.9T41 V43 L46 A57 L75 L76 V133 M134 I143T41-F55 HydrophobicContact CG2-CD1 3.72Å; T41-F55 HydrophobicContact CG2-CE1 3.95Å; V43-F55 PolarHBondContact N-O 3.39Å; V43-F55 PolarHBondContact O-N 2.91Å; L46-F55 HydrophobicContact CD1-CB 4.46Å; L46-F55 HydrophobicContact CD2-CB 3.94Å; F55-A57 HydrophobicContact CE1-CB 3.91Å; F55-A57 HydrophobicContact CZ-CB 3.82Å; F55-L75 HydrophobicContact CZ-CD2 4.45Å; F55-L76 HydrophobicContact CB-CD1 3.87Å; F55-L76 HydrophobicContact CB-CD2 4.22Å; F55-L76 HydrophobicContact CD1-CB 3.96Å; F55-L76 HydrophobicContact CD1-CD1 3.95Å; F55-L76 HydrophobicContact CD1-CD2 4.11Å; F55-L76 HydrophobicContact CD1-CG 4.22Å; F55-L76 HydrophobicContact CD2-CD1 4.21Å; F55-L76 HydrophobicContact CE1-CB 4.07Å; F55-L76 HydrophobicContact CG-CD1 3.74Å; F55-L76 HydrophobicContact CG-CD2 4.43Å; F55-L76 HydrophobicContact CG-CG 4.48Å; F55-V133 WeakPolarHBondContact CA-O 3.23Å; F55-V133 WeakPolarHBondContact CD2-O 3.01Å; F55-M134 HydrophobicContact CD2-CB 4.14Å; F55-M134 HydrophobicContact CD2-CE 4.01Å; F55-M134 HydrophobicContact CE2-CE 4.45Å; F55-I143 HydrophobicContact CE2-CD1 4.12Å
56F98.9Very high96.1Very high0 Ų036 Ų360%022%0.217CC..EExtended strand (participates in β ladder)trans-132.8139.3177.4-58.9-88.3000109.4L22 Y24 T41 A42 I44 G132 V133 I135 L237 V288 I290L22-F56 HydrophobicContact CD1-CE2 4.23Å; Y24-F56 AromaticContact CD1-CE1 3.55Å; Y24-F56 HydrophobicContact CD1-CE1 3.55Å; Y24-F56 AromaticContact CD1-CZ 3.94Å; Y24-F56 HydrophobicContact CD1-CZ 3.94Å; Y24-F56 HydrophobicContact CD2-CE1 4.07Å; Y24-F56 HydrophobicContact CE1-CE1 4.05Å; Y24-F56 HydrophobicContact CG-CD1 4.41Å; Y24-F56 AromaticContact CG-CE1 3.54Å; Y24-F56 HydrophobicContact CG-CE1 3.54Å; Y24-F56 HydrophobicContact CG-CZ 4.21Å; T41-F56 CarbonylContact O-C 3.57Å; T41-F56 VanDerWaalsContact O-CA 3.27Å; T41-F56 WeakPolarHBondContact O-CA 3.38Å; A42-F56 HydrophobicContact CB-CD1 3.73Å; A42-F56 HydrophobicContact CB-CE1 3.95Å; I44-F56 HydrophobicContact CD1-CZ 4.21Å; I44-F56 HydrophobicContact CG1-CE1 4.5Å; I44-F56 HydrophobicContact CG1-CE2 4.5Å; I44-F56 HydrophobicContact CG1-CZ 3.7Å; F56-G132 CarbonylContact O-C 3.6Å; F56-G132 WeakPolarHBondContact O-CA 3.45Å; F56-V133 HydrophobicContact CB-CG2 4.14Å; F56-V133 HydrophobicContact CD2-CG2 4.26Å; F56-V133 PolarHBondContact N-O 3.04Å; F56-V133 PolarHBondContact O-N 2.86Å; F56-I135 HydrophobicContact CD2-CD1 4.32Å; F56-I135 HydrophobicContact CE2-CD1 4.33Å; F56-L237 HydrophobicContact CB-CD1 3.83Å; F56-L237 WeakPolarHBondContact O-CD1 3.34Å; F56-V288 HydrophobicContact CB-CG1 4.38Å; F56-V288 HydrophobicContact CD1-CG1 3.98Å; F56-V288 HydrophobicContact CG-CG1 4.49Å; F56-I290 HydrophobicContact CB-CD1 4.16Å; F56-I290 HydrophobicContact CB-CG1 4.4Å; F56-I290 HydrophobicContact CD1-CG1 4.03Å; F56-I290 HydrophobicContact CD2-CD1 4.45Å; F56-I290 HydrophobicContact CD2-CG1 3.9Å; F56-I290 HydrophobicContact CE1-CG1 4.26Å; F56-I290 HydrophobicContact CE2-CG1 4.13Å; F56-I290 HydrophobicContact CE2-CG2 4.18Å; F56-I290 HydrophobicContact CG-CD1 4.15Å; F56-I290 HydrophobicContact CG-CG1 3.84Å; F56-I290 HydrophobicContact CZ-CG1 4.3Å; F56-I290 HydrophobicContact CZ-CG2 4.46Å
57A98.9Very high96.2Very high1 Ų136.3 Ų36.31%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-153.7149.7177.900000112.4H40 T41 F55 Y59 V131H40-A57 CarbonylContact C-O 3.53Å; H40-A57 WeakPolarHBondContact CA-O 3.38Å; H40-A57 WeakPolarHBondContact CB-O 3.32Å; T41-A57 PolarHBondContact N-O 3.17Å; T41-A57 PolarHBondContact O-N 2.85Å; F55-A57 HydrophobicContact CE1-CB 3.91Å; F55-A57 HydrophobicContact CZ-CB 3.82Å; A57-Y59 HydrophobicContact CB-CE1 4.16Å; A57-Y59 HydrophobicContact CB-CE2 3.76Å; A57-Y59 VanDerWaalsContact CB-CZ 3.5Å; A57-Y59 WeakPolarHBondContact CB-OH 3.38Å; A57-V131 CarbonylContact C-O 3.51Å; A57-V131 WeakPolarHBondContact CA-O 3.22Å
58V98.9Very high96.6Very high0 Ų033 Ų330%020%0.198CC..EExtended strand (participates in β ladder)trans-116.3137.6167.6174.80000107.9V131 L237 C239 V288V58-V131 HydrophobicContact CB-CG1 4.1Å; V58-V131 PolarHBondContact N-O 3.2Å; V58-V131 PolarHBondContact O-N 3.02Å; V58-L237 HydrophobicContact CG2-CB 4Å; V58-C239 HydrophobicContact CG1-CB 4.24Å; V58-V288 HydrophobicContact CG2-CG2 3.74Å
59Y98.9Very high97.2Very high0 Ų031.3 Ų31.30%019%0.188CC..EExtended strand (participates in β ladder)trans-124.9116179.2-48.4-87.9000107.7D38 A39 T41 A57 C71 C72 L75 T129 A130D38-Y59 CarbonylContact C-O 3.57Å; D38-Y59 VanDerWaalsContact CA-O 3.25Å; D38-Y59 WeakPolarHBondContact CA-O 3.24Å; A39-Y59 HydrophobicContact CB-CD2 4.26Å; A39-Y59 PolarHBondContact N-O 2.82Å; A39-Y59 PolarHBondContact O-N 3.46Å; T41-Y59 VanDerWaalsContact OG1-CE2 3.26Å; T41-Y59 WeakPolarHBondContact OG1-CE2 3.45Å; T41-Y59 PolarHBondContact OG1-OH 3.31Å; A57-Y59 HydrophobicContact CB-CE1 4.16Å; A57-Y59 HydrophobicContact CB-CE2 3.76Å; A57-Y59 VanDerWaalsContact CB-CZ 3.5Å; A57-Y59 WeakPolarHBondContact CB-OH 3.38Å; Y59-C71 HydrophobicContact CD1-CB 3.69Å; Y59-C71 HydrophobicContact CE1-CB 3.71Å; Y59-C71 HydrophobicContact CG-CB 4.36Å; Y59-C72 HydrophobicContact CD2-CB 3.56Å; Y59-C72 HydrophobicContact CE2-CB 3.41Å; Y59-C72 VanDerWaalsContact CE2-CB 3.41Å; Y59-L75 HydrophobicContact CE1-CD2 3.69Å; Y59-T129 WeakPolarHBondContact CA-O 3.35Å; Y59-A130 HydrophobicContact CD1-CB 3.71Å; Y59-A130 HydrophobicContact CE1-CB 3.87Å
60D98.9Very high97.8Very high15 Ų1531.3 Ų31.38%0.0817%0.172CC..  trans-93.2114.5175.1-172-26.3000107.4S128 T129 S148 C239D60-S128 CarbonylContact O-C 3.6Å; D60-S128 WeakPolarHBondContact O-CA 3.44Å; D60-S128 WeakPolarHBondContact O-CB 3.42Å; D60-S128 PolarHBondContact O-OG 3.31Å; D60-T129 HydrophobicContact CB-CG2 4.02Å; D60-T129 WeakPolarHBondContact CB-OG1 3.16Å; D60-T129 PolarHBondContact N-OG1 2.98Å; D60-T129 PolarHBondContact O-N 3.26Å; D60-S148 WeakPolarHBondContact CB-OG 3.47Å; D60-C239 HydrophobicContact CB-CB 3.97Å; D60-C239 WeakPolarHBondContact OD2-CB 3.36Å
61G98.7Very high98.1Very high3 Ų331 Ų313%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-90.9144.3-177.200000111E37E37-G61 VanDerWaalsContact CB-O 3.24Å; E37-G61 WeakPolarHBondContact CB-O 3.47Å
62H98.3Very high98.3Very high36 Ų3627.2 Ų27.217%0.16715%0.152CC..EExtended strand (participates in β ladder)trans-136.4144.4173.457.5-100.9000112.1E37 G64 S126 G127 D200E37-H62 WeakPolarHBondContact OE2-CA 3.36Å; H62-G64 PolarHBondContact O-N 3.11Å; H62-S126 CarbonylContact O-C 3.53Å; H62-S126 WeakPolarHBondContact O-CA 3.44Å; H62-S126 WeakPolarHBondContact O-CB 3.35Å; H62-G127 PolarHBondContact N-O 3.15Å; H62-G127 WeakPolarHBondContact NE2-CA 3.06Å; H62-G127 PolarHBondContact O-N 2.77Å; H62-D200 IonicContact CD2-OD1 3.19Å; H62-D200 IonicContact CE1-OD2 3.07Å; H62-D200 PolarHBondContact CE1-OD2 3.28Å; H62-D200 VanDerWaalsContact CE1-OD2 3.25Å; H62-D200 IonicContact NE2-OD1 3.97Å; H62-D200 PolarHBondContact NE2-OD1 3.2Å; H62-D200 IonicContact NE2-OD2 3.09Å; H62-D200 PolarHBondContact NE2-OD2 2.92Å
63A96.6Very high98.4Very high73 Ų7330.9 Ų30.960%0.60316%0.163SC*.SBendtrans58.833.7-17800000113.1E37 S126E37-A63 PolarHBondContact OE2-N 3.39Å; A63-S126 WeakPolarHBondContact O-CB 3.37Å
64G96.8Very high98.4Very high15 Ų1532.4 Ų32.416%0.15517%0.171CC..SBendtrans128.4154-176.100000112.2E37 H62 S126E37-G64 WeakPolarHBondContact OE1-CA 3.32Å; E37-G64 PolarHBondContact OE1-N 3.28Å; H62-G64 PolarHBondContact O-N 3.11Å; G64-S126 WeakPolarHBondContact O-CB 3.32Å; G64-S126 PolarHBondContact O-OG 3.5Å
65S97.6Very high98.4Very high23 Ų2332.5 Ų32.516%0.16117%0.172CC..SBendtrans-92.72.7178.775.70000113.7K69S65-K69 WeakPolarHBondContact O-CB 3.27Å; S65-K69 VanDerWaalsContact O-CG 3.28Å; S65-K69 WeakPolarHBondContact O-CG 3.16Å; S65-K69 PolarHBondContact O-N 3.2Å; S65-K69 WeakPolarHBondContact OG-CD 3.29Å; S65-K69 VanDerWaalsContact OG-CE 3.29Å; S65-K69 WeakPolarHBondContact OG-CE 3.46Å; S65-K69 PolarHBondContact OG-NZ 3.2Å
66Q97.8Very high98.4Very high124 Ų12433.5 Ų33.558%0.57918%0.177SC*.Hα-helixtrans-68.9-47-165.6-71.1-17358.500112Y70 D124Q66-Y70 WeakPolarHBondContact O-CB 3.45Å; Q66-Y70 PolarHBondContact O-N 3.28Å; Q66-D124 VanDerWaalsContact CD-CG 3.43Å; Q66-D124 VanDerWaalsContact CD-OD1 3.24Å; Q66-D124 WeakPolarHBondContact CG-OD1 3.46Å; Q66-D124 VanDerWaalsContact NE2-CB 3.26Å; Q66-D124 PolarHBondContact NE2-OD1 3.11Å
67V98.6Very high98.3Very high7 Ų738.8 Ų38.84%0.04220%0.202CC..Hα-helixtrans-63.7-46.5177.1173.10000111.1K69 Y70 C71 M113 S126 L198V67-K69 PolarHBondContact O-N 2.89Å; V67-Y70 PolarHBondContact O-N 2.62Å; V67-C71 WeakPolarHBondContact O-CB 3.42Å; V67-C71 PolarHBondContact O-N 3.45Å; V67-C71 PolarHBondContact O-SG 2.9Å; V67-M113 HydrophobicContact CB-SD 4.41Å; V67-M113 HydrophobicContact CG1-CE 3.93Å; V67-M113 HydrophobicContact CG1-SD 4.03Å; V67-M113 HydrophobicContact CG2-SD 4.25Å; V67-S126 WeakPolarHBondContact CB-OG 3.48Å; V67-S126 WeakPolarHBondContact CG2-O 3.41Å; V67-S126 WeakPolarHBondContact CG2-OG 3.35Å; V67-S126 PolarHBondContact N-OG 3.34Å; V67-S126 VanDerWaalsContact N-OG 3.12Å; V67-L198 HydrophobicContact CG1-CB 3.97Å
68A98.8Very high98.3Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-57.6-47.8178.500000112.2E37 A39 C71 C72 S128E37-A68 WeakPolarHBondContact O-CB 3.5Å; A39-A68 HydrophobicContact CB-CB 4.14Å; A68-C71 PolarHBondContact O-N 3.4Å; A68-C72 PolarHBondContact O-N 3.39Å; A68-S128 WeakPolarHBondContact CB-OG 3.5Å
69K98.6Very high98.3Very high109 Ų10940.2 Ų40.247%0.47421%0.208SC..Hα-helixtrans-63-42.4177-74.6174.6178.4159.50112.6S65 V67 C71 C72 E73S65-K69 WeakPolarHBondContact O-CB 3.27Å; S65-K69 VanDerWaalsContact O-CG 3.28Å; S65-K69 WeakPolarHBondContact O-CG 3.16Å; S65-K69 PolarHBondContact O-N 3.2Å; S65-K69 WeakPolarHBondContact OG-CD 3.29Å; S65-K69 VanDerWaalsContact OG-CE 3.29Å; S65-K69 WeakPolarHBondContact OG-CE 3.46Å; S65-K69 PolarHBondContact OG-NZ 3.2Å; V67-K69 PolarHBondContact O-N 2.89Å; K69-C71 VanDerWaalsContact C-N 3.33Å; K69-C71 PolarHBondContact O-N 3.05Å; K69-C72 PolarHBondContact O-N 2.93Å; K69-C72 PolarHBondContact O-SG 2.75Å; K69-E73 PolarHBondContact O-N 3.48Å
70Y98.6Very high98.1Very high55 Ų5540.5 Ų40.522%0.21621%0.21CC..Hα-helixtrans-64.9-40.7177.4-168.7-94.7000111.6Q66 V67 E73 H74 I109 H112 M113Q66-Y70 WeakPolarHBondContact O-CB 3.45Å; Q66-Y70 PolarHBondContact O-N 3.28Å; V67-Y70 PolarHBondContact O-N 2.62Å; Y70-E73 PolarHBondContact O-N 3.17Å; Y70-H74 HydrophobicContact CD1-CB 4.45Å; Y70-H74 AromaticContact CD2-CD2 3.53Å; Y70-H74 HydrophobicContact CE1-CB 4.03Å; Y70-H74 AromaticContact CE2-CD2 3.25Å; Y70-H74 WeakPolarHBondContact CE2-CD2 3.32Å; Y70-H74 AromaticContact CE2-NE2 3.68Å; Y70-H74 AromaticContact CZ-CD2 3.52Å; Y70-H74 AromaticContact CZ-CG 3.91Å; Y70-H74 WeakPolarHBondContact O-CB 3.36Å; Y70-H74 PolarHBondContact O-CD2 3.3Å; Y70-H74 PolarHBondContact O-N 3.16Å; Y70-I109 HydrophobicContact CD1-CD1 3.98Å; Y70-I109 HydrophobicContact CD1-CG1 4.06Å; Y70-I109 HydrophobicContact CE1-CD1 3.95Å; Y70-I109 HydrophobicContact CE1-CG1 3.78Å; Y70-H112 AromaticContact CE1-ND1 3.96Å; Y70-H112 AromaticContact CZ-CE1 4Å; Y70-H112 AromaticContact CZ-ND1 3.71Å; Y70-H112 PolarHBondContact OH-CE1 3.04Å; Y70-H112 PolarHBondContact OH-ND1 2.61Å; Y70-M113 HydrophobicContact CD1-CG 3.41Å; Y70-M113 VanDerWaalsContact CD1-CG 3.41Å; Y70-M113 HydrophobicContact CD1-SD 3.45Å; Y70-M113 WeakPolarHBondContact CD1-SD 3.27Å; Y70-M113 HydrophobicContact CE1-CG 3.72Å; Y70-M113 HydrophobicContact CE1-SD 4.32Å; Y70-M113 HydrophobicContact CG-CG 4.12Å; Y70-M113 HydrophobicContact CG-SD 4Å
71C98.8Very high97.9Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-64.6-42.5177.5-65.80000111.8Y59 V67 A68 K69 E73 H74 L75 L198Y59-C71 HydrophobicContact CD1-CB 3.69Å; Y59-C71 HydrophobicContact CE1-CB 3.71Å; Y59-C71 HydrophobicContact CG-CB 4.36Å; V67-C71 WeakPolarHBondContact O-CB 3.42Å; V67-C71 PolarHBondContact O-N 3.45Å; V67-C71 PolarHBondContact O-SG 2.9Å; A68-C71 PolarHBondContact O-N 3.4Å; K69-C71 VanDerWaalsContact C-N 3.33Å; K69-C71 PolarHBondContact O-N 3.05Å; C71-E73 PolarHBondContact O-N 3.21Å; C71-H74 PolarHBondContact O-N 3.36Å; C71-L75 WeakPolarHBondContact O-CB 3.37Å; C71-L75 PolarHBondContact O-N 2.7Å; C71-L198 HydrophobicContact CB-CD1 4.46Å; C71-L198 WeakPolarHBondContact SG-CD1 3.29Å
72C98.5Very high97.8Very high27 Ų2743.1 Ų43.118%0.18223%0.229CC..Hα-helixtrans-66-25.7-177.582.90000113.9A39 H40 T41 Y59 A68 K69A39-C72 HydrophobicContact CB-CB 3.78Å; H40-C72 WeakPolarHBondContact O-CB 3.37Å; T41-C72 WeakPolarHBondContact OG1-CA 3.19Å; T41-C72 PolarHBondContact OG1-O 3.39Å; Y59-C72 HydrophobicContact CD2-CB 3.56Å; Y59-C72 HydrophobicContact CE2-CB 3.41Å; Y59-C72 VanDerWaalsContact CE2-CB 3.41Å; A68-C72 PolarHBondContact O-N 3.39Å; K69-C72 PolarHBondContact O-N 2.93Å; K69-C72 PolarHBondContact O-SG 2.75Å
73E98.4Very high97.5Very high138 Ų13845.1 Ų45.165%0.64525%0.247SC*.Hα-helixtrans-88.7-33.9176.6-67.4178.6-174.500112.9K69 Y70 C71K69-E73 PolarHBondContact O-N 3.48Å; Y70-E73 PolarHBondContact O-N 3.17Å; C71-E73 PolarHBondContact O-N 3.21Å
74H98.6Very high97.3Very high51 Ų5144.7 Ų44.724%0.23623%0.234CC..Hα-helixtrans-124.5-12.4-164.1-60.7-66.7000116.2Y70 C71 L76 E77 H78 I109Y70-H74 HydrophobicContact CD1-CB 4.45Å; Y70-H74 AromaticContact CD2-CD2 3.53Å; Y70-H74 HydrophobicContact CE1-CB 4.03Å; Y70-H74 AromaticContact CE2-CD2 3.25Å; Y70-H74 WeakPolarHBondContact CE2-CD2 3.32Å; Y70-H74 AromaticContact CE2-NE2 3.68Å; Y70-H74 AromaticContact CZ-CD2 3.52Å; Y70-H74 AromaticContact CZ-CG 3.91Å; Y70-H74 WeakPolarHBondContact O-CB 3.36Å; Y70-H74 PolarHBondContact O-CD2 3.3Å; Y70-H74 PolarHBondContact O-N 3.16Å; C71-H74 PolarHBondContact O-N 3.36Å; H74-L76 VanDerWaalsContact C-N 3.33Å; H74-L76 PolarHBondContact O-N 2.88Å; H74-E77 IonicContact ND1-OE2 2.89Å; H74-E77 PolarHBondContact O-N 3.36Å; H74-H78 PolarHBondContact O-N 3.44Å; H74-H78 VanDerWaalsContact O-N 3.12Å; H74-H78 PolarHBondContact O-ND1 3.38Å; H74-I109 HydrophobicContact CB-CD1 4.2Å
75L98.8Very high97Very high3 Ų344 Ų442%0.01623%0.227CC..Hα-helixtrans-60-45.4-177.1177.163.5000111.5F55 Y59 C71 E77 H78 I79 F106 I109 A130F55-L75 HydrophobicContact CZ-CD2 4.45Å; Y59-L75 HydrophobicContact CE1-CD2 3.69Å; C71-L75 WeakPolarHBondContact O-CB 3.37Å; C71-L75 PolarHBondContact O-N 2.7Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.44Å; L75-H78 PolarHBondContact O-N 2.81Å; L75-I79 HydrophobicContact CD1-CD1 4.06Å; L75-I79 HydrophobicContact CD1-CG1 4.22Å; L75-I79 HydrophobicContact CD2-CD1 4.39Å; L75-I79 HydrophobicContact CG-CD1 3.83Å; L75-I79 HydrophobicContact CG-CG1 4.4Å; L75-I79 WeakPolarHBondContact O-CG1 3.28Å; L75-I79 PolarHBondContact O-N 2.96Å; L75-F106 HydrophobicContact CD1-CD2 3.85Å; L75-F106 HydrophobicContact CD1-CE2 3.87Å; L75-F106 HydrophobicContact CD1-CG 4.29Å; L75-F106 HydrophobicContact CD1-CZ 4.29Å; L75-F106 HydrophobicContact CD2-CE1 4.43Å; L75-F106 HydrophobicContact CD2-CE2 3.84Å; L75-F106 HydrophobicContact CD2-CZ 3.73Å; L75-F106 HydrophobicContact CG-CE2 4.32Å; L75-I109 HydrophobicContact CB-CD1 4.13Å; L75-I109 HydrophobicContact CD1-CD1 4.39Å; L75-I109 HydrophobicContact CD1-CG2 3.87Å; L75-A130 HydrophobicContact CD2-CB 4.44Å
76L98.4Very high96.6Very high23 Ų2345.6 Ų45.612%0.1223%0.232CC..Hα-helixtrans-57.4-43.3179.1176.460.9000112.1L46 F55 H74 I79 T80 M134L46-L76 HydrophobicContact CD1-CD1 4.11Å; L46-L76 HydrophobicContact CD2-CD1 4.41Å; L46-L76 HydrophobicContact CD2-CD2 3.86Å; F55-L76 HydrophobicContact CB-CD1 3.87Å; F55-L76 HydrophobicContact CB-CD2 4.22Å; F55-L76 HydrophobicContact CD1-CB 3.96Å; F55-L76 HydrophobicContact CD1-CD1 3.95Å; F55-L76 HydrophobicContact CD1-CD2 4.11Å; F55-L76 HydrophobicContact CD1-CG 4.22Å; F55-L76 HydrophobicContact CD2-CD1 4.21Å; F55-L76 HydrophobicContact CE1-CB 4.07Å; F55-L76 HydrophobicContact CG-CD1 3.74Å; F55-L76 HydrophobicContact CG-CD2 4.43Å; F55-L76 HydrophobicContact CG-CG 4.48Å; H74-L76 VanDerWaalsContact C-N 3.33Å; H74-L76 PolarHBondContact O-N 2.88Å; L76-I79 PolarHBondContact O-N 2.87Å; L76-T80 HydrophobicContact CD1-CG2 3.89Å; L76-T80 WeakPolarHBondContact O-CG2 3.29Å; L76-T80 PolarHBondContact O-N 2.89Å; L76-T80 PolarHBondContact O-OG1 3.23Å; L76-T80 VanDerWaalsContact O-OG1 3.04Å; L76-M134 HydrophobicContact CD1-CE 4.03Å
77E97.6Very high95.6Very high111 Ų11142.7 Ų42.752%0.51923%0.225SC..Hα-helixtrans-64.2-42.7178.5-176.2-177.5-176.600111.6H74 L75 I79 T80 S81H74-E77 IonicContact ND1-OE2 2.89Å; H74-E77 PolarHBondContact O-N 3.36Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.44Å; E77-I79 VanDerWaalsContact C-N 3.29Å; E77-I79 PolarHBondContact O-N 3.33Å; E77-T80 PolarHBondContact O-N 3.15Å; E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.1Å; E77-S81 PolarHBondContact O-OG 2.85Å
78H98.4Very high94.1Very high31 Ų3142.4 Ų42.414%0.14422%0.223CC..Hα-helixtrans-64.7-35.1176.5-73.674.7000112H74 L75 N82 G105 I109 H112H74-H78 PolarHBondContact O-N 3.44Å; H74-H78 VanDerWaalsContact O-N 3.12Å; H74-H78 PolarHBondContact O-ND1 3.38Å; L75-H78 PolarHBondContact O-N 2.81Å; H78-N82 PolarHBondContact O-ND2 2.9Å; H78-G105 WeakPolarHBondContact O-CA 3.44Å; H78-I109 HydrophobicContact CB-CB 4.15Å; H78-H112 AromaticContact NE2-ND1 3.9Å
79I97.9Very high92.8Very high0 Ų044.8 Ų44.80%024%0.236CC..Hα-helixtrans-68.2-50.1174.9-67.5170.2000110.6L75 L76 E77 N82 F85 I102 F106 M134L75-I79 HydrophobicContact CD1-CD1 4.06Å; L75-I79 HydrophobicContact CD1-CG1 4.22Å; L75-I79 HydrophobicContact CD2-CD1 4.39Å; L75-I79 HydrophobicContact CG-CD1 3.83Å; L75-I79 HydrophobicContact CG-CG1 4.4Å; L75-I79 WeakPolarHBondContact O-CG1 3.28Å; L75-I79 PolarHBondContact O-N 2.96Å; L76-I79 PolarHBondContact O-N 2.87Å; E77-I79 VanDerWaalsContact C-N 3.29Å; E77-I79 PolarHBondContact O-N 3.33Å; I79-N82 PolarHBondContact O-ND2 3.25Å; I79-F85 HydrophobicContact CG2-CD2 3.79Å; I79-F85 HydrophobicContact CG2-CE2 3.94Å; I79-F85 WeakPolarHBondContact O-CB 3.44Å; I79-F85 VanDerWaalsContact O-CG 3.3Å; I79-F85 WeakPolarHBondContact O-CG 3.39Å; I79-I102 HydrophobicContact CD1-CG1 4.49Å; I79-I102 HydrophobicContact CD1-CG2 4.4Å; I79-I102 HydrophobicContact CG2-CB 4.4Å; I79-I102 HydrophobicContact CG2-CG1 3.73Å; I79-F106 HydrophobicContact CD1-CD2 4.39Å; I79-F106 HydrophobicContact CD1-CE2 4.08Å; I79-M134 HydrophobicContact CG2-CE 3.71Å
80T95.8Very high91.3Very high7 Ų746.9 Ų46.94%0.04325%0.247CC..Hα-helixtrans-82.3-24.9-170.657.60000113.3L50 L76 E77 F85 Q86L50-T80 HydrophobicContact CD1-CG2 4.06Å; L76-T80 HydrophobicContact CD1-CG2 3.89Å; L76-T80 WeakPolarHBondContact O-CG2 3.29Å; L76-T80 PolarHBondContact O-N 2.89Å; L76-T80 PolarHBondContact O-OG1 3.23Å; L76-T80 VanDerWaalsContact O-OG1 3.04Å; E77-T80 PolarHBondContact O-N 3.15Å; T80-F85 HydrophobicContact CG2-CD1 4.43Å; T80-F85 HydrophobicContact CG2-CE1 4.07Å; T80-F85 HydrophobicContact CG2-CZ 4.16Å; T80-Q86 PolarHBondContact O-NE2 3.42Å
81S94.9Very high89.3Confident66 Ų6652.2 Ų52.246%0.46227%0.274SS..Hα-helixtrans-89.9-9.6-174.3-52.90000114.4E77E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.1Å; E77-S81 PolarHBondContact O-OG 2.85Å
82N95.3Very high87.7Confident7 Ų759.5 Ų59.54%0.03731%0.313CS..SBendtrans-77.9158.3179.773.166.2000112.3H78 I79 D84 F85 Q86 G101 T104 G105H78-N82 PolarHBondContact O-ND2 2.9Å; I79-N82 PolarHBondContact O-ND2 3.25Å; N82-D84 VanDerWaalsContact C-N 3.32Å; N82-D84 PolarHBondContact O-N 3.11Å; N82-D84 WeakPolarHBondContact OD1-CB 3.27Å; N82-D84 PolarHBondContact OD1-N 2.95Å; N82-D84 VanDerWaalsContact OD1-N 3.11Å; N82-F85 PolarHBondContact O-N 2.9Å; N82-F85 PolarHBondContact OD1-N 3.41Å; N82-Q86 WeakPolarHBondContact O-CB 3.03Å; N82-Q86 WeakPolarHBondContact O-CG 3.41Å; N82-Q86 PolarHBondContact O-N 3.4Å; N82-G101 PolarHBondContact ND2-O 3.41Å; N82-T104 HydrophobicContact CB-CG2 3.98Å; N82-G105 PolarHBondContact ND2-N 3.09Å
83S92.9Very high86.2Confident78 Ų7860.8 Ų60.855%0.54532%0.32SS..Hα-helixtrans-61.3-37.3-175.7510000113.4F85 Q86 S87S83-F85 VanDerWaalsContact C-N 3.31Å; S83-F85 PolarHBondContact O-N 3.25Å; S83-Q86 PolarHBondContact O-N 3.26Å; S83-S87 WeakPolarHBondContact O-CB 3.27Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 PolarHBondContact O-OG 2.95Å; S83-S87 VanDerWaalsContact O-OG 3.13Å
84D91.8Very high85.6Confident64 Ų6456.5 Ų56.534%0.34231%0.305SS..Hα-helixtrans-66.6-37.9-177-59-31.1000110.8N82 N100 T104N82-D84 VanDerWaalsContact C-N 3.32Å; N82-D84 PolarHBondContact O-N 3.11Å; N82-D84 WeakPolarHBondContact OD1-CB 3.27Å; N82-D84 PolarHBondContact OD1-N 2.95Å; N82-D84 VanDerWaalsContact OD1-N 3.11Å; D84-N100 HydrophobicContact CB-CB 4.26Å; D84-T104 WeakPolarHBondContact OD2-CB 3.33Å; D84-T104 PolarHBondContact OD2-OG1 3.35Å
85F91.3Very high85.3Confident1 Ų156.1 Ų56.10%0.00431%0.306CS..Hα-helixtrans-74.5-44.7173.7-161.3-79.7000112.3L50 W53 I79 T80 N82 S83 S87 A88 I89 V98 M134L50-F85 HydrophobicContact CD1-CE1 3.75Å; L50-F85 HydrophobicContact CD1-CZ 4.34Å; W53-F85 HydrophobicContact CZ3-CZ 4.47Å; I79-F85 HydrophobicContact CG2-CD2 3.79Å; I79-F85 HydrophobicContact CG2-CE2 3.94Å; I79-F85 WeakPolarHBondContact O-CB 3.44Å; I79-F85 VanDerWaalsContact O-CG 3.3Å; I79-F85 WeakPolarHBondContact O-CG 3.39Å; T80-F85 HydrophobicContact CG2-CD1 4.43Å; T80-F85 HydrophobicContact CG2-CE1 4.07Å; T80-F85 HydrophobicContact CG2-CZ 4.16Å; N82-F85 PolarHBondContact O-N 2.9Å; N82-F85 PolarHBondContact OD1-N 3.41Å; S83-F85 VanDerWaalsContact C-N 3.31Å; S83-F85 PolarHBondContact O-N 3.25Å; F85-S87 VanDerWaalsContact C-N 3.29Å; F85-S87 PolarHBondContact O-N 3.08Å; F85-A88 WeakPolarHBondContact O-CA 3.03Å; F85-A88 WeakPolarHBondContact O-CB 3.37Å; F85-A88 PolarHBondContact O-N 3.44Å; F85-I89 HydrophobicContact CD1-CD1 3.93Å; F85-I89 HydrophobicContact CD1-CG1 4.18Å; F85-I89 HydrophobicContact CE1-CD1 3.82Å; F85-I89 HydrophobicContact CE1-CG1 4.03Å; F85-I89 PolarHBondContact O-N 2.93Å; F85-V98 HydrophobicContact CE2-CG1 4.05Å; F85-M134 HydrophobicContact CE2-CE 4.26Å; F85-M134 HydrophobicContact CE2-SD 3.71Å; F85-M134 HydrophobicContact CZ-SD 3.76Å
86Q87.8Confident85Confident55 Ų5561 Ų6126%0.25733%0.332SS..Hα-helixtrans-62.7-36.5-178.1-75.2-67.4-38.900112.5T80 N82 S83 A88 I89T80-Q86 PolarHBondContact O-NE2 3.42Å; N82-Q86 WeakPolarHBondContact O-CB 3.03Å; N82-Q86 WeakPolarHBondContact O-CG 3.41Å; N82-Q86 PolarHBondContact O-N 3.4Å; S83-Q86 PolarHBondContact O-N 3.26Å; Q86-A88 PolarHBondContact O-N 3.44Å; Q86-I89 PolarHBondContact O-N 3.04Å; Q86-I89 VanDerWaalsContact O-N 3.13Å
87S77.3Confident84.6Confident64 Ų6461.4 Ų61.445%0.44834%0.337SS..Hα-helixtrans-59.7-31.7170.6-70.20000112.5S83 F85 I89S83-S87 WeakPolarHBondContact O-CB 3.27Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 PolarHBondContact O-OG 2.95Å; S83-S87 VanDerWaalsContact O-OG 3.13Å; F85-S87 VanDerWaalsContact C-N 3.29Å; F85-S87 PolarHBondContact O-N 3.08Å; S87-I89 VanDerWaalsContact C-N 3.3Å; S87-I89 PolarHBondContact O-N 3.45Å
88A68.7Low84.5Confident0 Ų056.1 Ų56.10%031%0.313CS..Hα-helixtrans-63.5-33.517500000112.9F85 Q86 D92 T93 V98F85-A88 WeakPolarHBondContact O-CA 3.03Å; F85-A88 WeakPolarHBondContact O-CB 3.37Å; F85-A88 PolarHBondContact O-N 3.44Å; Q86-A88 PolarHBondContact O-N 3.44Å; A88-D92 CarbonylContact O-C 3.52Å; A88-T93 HydrophobicContact CB-CG2 4.2Å; A88-T93 WeakPolarHBondContact O-CA 3.4Å; A88-T93 WeakPolarHBondContact O-CB 3.47Å; A88-T93 PolarHBondContact O-N 3.44Å; A88-T93 PolarHBondContact O-OG1 2.99Å; A88-V98 HydrophobicContact CB-CG2 4.36Å
89I70.8Confident84.5Confident51 Ų5157.7 Ų57.726%0.26232%0.319SS..Hα-helixtrans-79.7-28.2-174.4-53.1174.4000111L50 F85 Q86 S87L50-I89 HydrophobicContact CD1-CD1 3.84Å; L50-I89 HydrophobicContact CD2-CD1 3.85Å; L50-I89 HydrophobicContact CD2-CG1 4.1Å; L50-I89 HydrophobicContact CG-CD1 3.94Å; F85-I89 HydrophobicContact CD1-CD1 3.93Å; F85-I89 HydrophobicContact CD1-CG1 4.18Å; F85-I89 HydrophobicContact CE1-CD1 3.82Å; F85-I89 HydrophobicContact CE1-CG1 4.03Å; F85-I89 PolarHBondContact O-N 2.93Å; Q86-I89 PolarHBondContact O-N 3.04Å; Q86-I89 VanDerWaalsContact O-N 3.13Å; S87-I89 VanDerWaalsContact C-N 3.3Å; S87-I89 PolarHBondContact O-N 3.45Å
90Q66.3Low84.4Confident152 Ų15261.6 Ų61.671%0.7134%0.34SS*.Hα-helixtrans-89.9-28.8-170-64.9178.41800114.4
91E57.3Low84.5Confident168 Ų16861.3 Ų61.379%0.78534%0.338SS*.SBendtrans-116.427.7-169-64.9-171.3166.700114.4
92D64.3Low84.7Confident152 Ų15258.1 Ų58.181%0.81332%0.316SS*.  trans76.5122.2-166.6-147-1000111A88 S94A88-D92 CarbonylContact O-C 3.52Å; D92-S94 PolarHBondContact O-N 3.5Å
93T68Low84.8Confident54 Ų5461.9 Ų61.933%0.33133%0.33SS..  trans-70.894.4-168.6-55.70000111.8W53 A88 V98W53-T93 HydrophobicContact CH2-CG2 4.05Å; W53-T93 HydrophobicContact CZ2-CG2 4.01Å; A88-T93 HydrophobicContact CB-CG2 4.2Å; A88-T93 WeakPolarHBondContact O-CA 3.4Å; A88-T93 WeakPolarHBondContact O-CB 3.47Å; A88-T93 PolarHBondContact O-N 3.44Å; A88-T93 PolarHBondContact O-OG1 2.99Å; T93-V98 HydrophobicContact CG2-CG2 3.42Å; T93-V98 VanDerWaalsContact CG2-CG2 3.42Å
94S85.3Confident85.1Confident48 Ų4859.1 Ų59.134%0.33631%0.31SS..  trans-71.9139.2171.598.50000110.6D92 D96 S97 V98D92-S94 PolarHBondContact O-N 3.5Å; S94-D96 PolarHBondContact O-N 3.43Å; S94-S97 PolarHBondContact O-N 3.24Å; S94-S97 WeakPolarHBondContact OG-CB 3.48Å; S94-S97 PolarHBondContact OG-N 3.11Å; S94-S97 PolarHBondContact OG-OG 3.36Å; S94-V98 PolarHBondContact O-N 2.92Å
95V92.6Very high85.4Confident43 Ų4356.1 Ų56.126%0.26129%0.293SS..Hα-helixtrans-54.1-39.3174.2164.90000111.1V98 K99 Y141 A224V95-V98 PolarHBondContact O-N 3.01Å; V95-K99 HydrophobicContact CG1-CD 4.15Å; V95-K99 WeakPolarHBondContact O-CG 3.31Å; V95-K99 PolarHBondContact O-N 3.43Å; V95-Y141 HydrophobicContact CG1-CE1 4.26Å; V95-Y141 HydrophobicContact CG2-CE1 4.48Å; V95-A224 HydrophobicContact CG1-CB 3.46Å; V95-A224 VanDerWaalsContact CG1-CB 3.46Å; V95-A224 HydrophobicContact CG2-CB 4.41Å
96D92.1Very high85.8Confident105 Ų10556.1 Ų56.156%0.56129%0.293SS*.Hα-helixtrans-69-38.6-178.4-69-26.9000112.1S94 V98 K99 N100S94-D96 PolarHBondContact O-N 3.43Å; D96-V98 VanDerWaalsContact C-N 3.34Å; D96-V98 PolarHBondContact O-N 3.14Å; D96-K99 PolarHBondContact O-N 3.26Å; D96-N100 WeakPolarHBondContact O-CB 3.39Å; D96-N100 PolarHBondContact O-N 3.07Å; D96-N100 PolarHBondContact O-ND2 2.88Å; D96-N100 VanDerWaalsContact O-ND2 3.15Å
97S90.3Very high86.3Confident32 Ų3255.2 Ų55.222%0.22429%0.29CS..Hα-helixtrans-65.2-38.9176.9-55.10000111.5S94 N100 G101S94-S97 PolarHBondContact O-N 3.24Å; S94-S97 WeakPolarHBondContact OG-CB 3.48Å; S94-S97 PolarHBondContact OG-N 3.11Å; S94-S97 PolarHBondContact OG-OG 3.36Å; S97-N100 PolarHBondContact O-N 3.26Å; S97-G101 PolarHBondContact O-N 3.23Å
98V95.6Very high87.4Confident0 Ų056.3 Ų56.30%029%0.288CS..Hα-helixtrans-63.9-46.8174176.90000110.8W53 F85 A88 T93 S94 V95 D96 N100 G101 I102 Y141W53-V98 HydrophobicContact CH2-CG2 3.96Å; W53-V98 HydrophobicContact CZ3-CG1 4.44Å; F85-V98 HydrophobicContact CE2-CG1 4.05Å; A88-V98 HydrophobicContact CB-CG2 4.36Å; T93-V98 HydrophobicContact CG2-CG2 3.42Å; T93-V98 VanDerWaalsContact CG2-CG2 3.42Å; S94-V98 PolarHBondContact O-N 2.92Å; V95-V98 PolarHBondContact O-N 3.01Å; D96-V98 VanDerWaalsContact C-N 3.34Å; D96-V98 PolarHBondContact O-N 3.14Å; V98-N100 PolarHBondContact O-N 3.05Å; V98-G101 PolarHBondContact O-N 2.86Å; V98-I102 HydrophobicContact CG1-CD1 3.85Å; V98-I102 WeakPolarHBondContact O-CD1 3.38Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 3.38Å; V98-Y141 HydrophobicContact CB-CD1 4.37Å; V98-Y141 HydrophobicContact CB-CE1 3.84Å; V98-Y141 HydrophobicContact CG1-CD1 3.75Å; V98-Y141 HydrophobicContact CG1-CD2 4.01Å; V98-Y141 HydrophobicContact CG1-CE1 3.66Å; V98-Y141 HydrophobicContact CG1-CE2 3.93Å; V98-Y141 HydrophobicContact CG1-CG 3.92Å; V98-Y141 HydrophobicContact CG2-CE1 4.43Å
99K97.6Very high88.8Confident64 Ų6456.3 Ų56.328%0.27829%0.288SS..Hα-helixtrans-59.4-45.4176.7-73.1-179.8175.1-175.20112.1V95 D96 I102 R103 V222V95-K99 HydrophobicContact CG1-CD 4.15Å; V95-K99 WeakPolarHBondContact O-CG 3.31Å; V95-K99 PolarHBondContact O-N 3.43Å; D96-K99 PolarHBondContact O-N 3.26Å; K99-I102 PolarHBondContact O-N 2.84Å; K99-R103 WeakPolarHBondContact O-CB 3.46Å; K99-R103 PolarHBondContact O-N 2.89Å; K99-V222 HydrophobicContact CB-CB 4.49Å; K99-V222 HydrophobicContact CB-CG1 4.45Å; K99-V222 WeakPolarHBondContact CE-O 3.2Å; K99-V222 HydrophobicContact CG-CB 4.07Å; K99-V222 HydrophobicContact CG-CG1 3.78Å
100N96.9Very high90.1Very high83 Ų8354.1 Ų54.144%0.44428%0.277SS..Hα-helixtrans-64.9-43.2177.4-71.5-29.3000111.4D84 D96 S97 V98 I102 R103 T104D84-N100 HydrophobicContact CB-CB 4.26Å; D96-N100 WeakPolarHBondContact O-CB 3.39Å; D96-N100 PolarHBondContact O-N 3.07Å; D96-N100 PolarHBondContact O-ND2 2.88Å; D96-N100 VanDerWaalsContact O-ND2 3.15Å; S97-N100 PolarHBondContact O-N 3.26Å; V98-N100 PolarHBondContact O-N 3.05Å; N100-I102 VanDerWaalsContact C-N 3.34Å; N100-I102 PolarHBondContact O-N 3.11Å; N100-R103 PolarHBondContact O-N 3.05Å; N100-T104 WeakPolarHBondContact O-CB 3.48Å; N100-T104 PolarHBondContact O-N 3.23Å; N100-T104 PolarHBondContact O-OG1 3.4Å
101G97.4Very high91.6Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-60-41.1175.100000113.1N82 S97 V98 G105N82-G101 PolarHBondContact ND2-O 3.41Å; S97-G101 PolarHBondContact O-N 3.23Å; V98-G101 PolarHBondContact O-N 2.86Å; G101-G105 PolarHBondContact O-N 3.12Å
102I98.6Very high93.6Very high0 Ų047.2 Ų47.20%025%0.245CC..Hα-helixtrans-62.8-51.5173.5-68.8159.1000110.3I79 V98 K99 N100 T104 G105 F106 I143 P220 V222I79-I102 HydrophobicContact CD1-CG1 4.49Å; I79-I102 HydrophobicContact CD1-CG2 4.4Å; I79-I102 HydrophobicContact CG2-CB 4.4Å; I79-I102 HydrophobicContact CG2-CG1 3.73Å; V98-I102 HydrophobicContact CG1-CD1 3.85Å; V98-I102 WeakPolarHBondContact O-CD1 3.38Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 3.38Å; K99-I102 PolarHBondContact O-N 2.84Å; N100-I102 VanDerWaalsContact C-N 3.34Å; N100-I102 PolarHBondContact O-N 3.11Å; I102-T104 VanDerWaalsContact C-N 3.34Å; I102-T104 PolarHBondContact O-N 3.17Å; I102-G105 PolarHBondContact O-N 3.31Å; I102-F106 HydrophobicContact CG2-CD2 4.06Å; I102-F106 HydrophobicContact CG2-CE2 3.98Å; I102-F106 WeakPolarHBondContact O-CD2 3.38Å; I102-F106 PolarHBondContact O-N 3.41Å; I102-I143 HydrophobicContact CD1-CD1 3.7Å; I102-I143 HydrophobicContact CD1-CG1 4Å; I102-I143 HydrophobicContact CG1-CD1 4.01Å; I102-I143 HydrophobicContact CG2-CD1 3.88Å; I102-I143 HydrophobicContact CG2-CG1 4.05Å; I102-I143 HydrophobicContact CG2-CG2 3.8Å; I102-P220 HydrophobicContact CG2-CG 4.13Å; I102-V222 HydrophobicContact CB-CG2 4.09Å; I102-V222 HydrophobicContact CD1-CG1 3.77Å; I102-V222 HydrophobicContact CD1-CG2 4.47Å; I102-V222 HydrophobicContact CG2-CG2 3.59Å
103R98.8Very high95.2Very high86 Ų8640.7 Ų40.733%0.32521%0.209SC..Hα-helixtrans-54.9-49.7178-177.9-173.7177.6-78.2-7.5111.5K99 N100 G105 F106 L107 E219K99-R103 WeakPolarHBondContact O-CB 3.46Å; K99-R103 PolarHBondContact O-N 2.89Å; N100-R103 PolarHBondContact O-N 3.05Å; R103-G105 VanDerWaalsContact C-N 3.35Å; R103-G105 PolarHBondContact O-N 3.42Å; R103-F106 PolarHBondContact O-N 3.18Å; R103-L107 WeakPolarHBondContact O-CG 3.49Å; R103-L107 PolarHBondContact O-N 3.28Å; R103-L107 VanDerWaalsContact O-N 3.13Å; R103-E219 HydrophobicContact CG-CG 4.4Å; R103-E219 IonicContact CZ-OE1 2.84Å; R103-E219 IonicContact NE-OE1 3.76Å; R103-E219 PolarHBondContact NE-OE1 3.24Å; R103-E219 IonicContact NH2-OE1 2.85Å; R103-E219 PolarHBondContact NH2-OE1 3.39Å
104T98.7Very high96.5Very high20 Ų2040.1 Ų40.112%0.12320%0.201CC..Hα-helixtrans-62.4-41.3179.2-68.90000111.5N82 D84 N100 I102 F106 L107 Q108N82-T104 HydrophobicContact CB-CG2 3.98Å; D84-T104 WeakPolarHBondContact OD2-CB 3.33Å; D84-T104 PolarHBondContact OD2-OG1 3.35Å; N100-T104 WeakPolarHBondContact O-CB 3.48Å; N100-T104 PolarHBondContact O-N 3.23Å; N100-T104 PolarHBondContact O-OG1 3.4Å; I102-T104 VanDerWaalsContact C-N 3.34Å; I102-T104 PolarHBondContact O-N 3.17Å; T104-F106 PolarHBondContact O-N 3.09Å; T104-L107 PolarHBondContact O-N 2.76Å; T104-Q108 HydrophobicContact CG2-CG 4.1Å; T104-Q108 VanDerWaalsContact CG2-NE2 3.34Å; T104-Q108 WeakPolarHBondContact O-CB 3.49Å; T104-Q108 VanDerWaalsContact O-CG 3.26Å; T104-Q108 WeakPolarHBondContact O-CG 3.26Å; T104-Q108 PolarHBondContact O-N 3.35Å
105G98.8Very high97Very high0 Ų039.7 Ų39.70%020%0.197CC..Hα-helixtrans-57.7-44.3175.200000113H78 N82 G101 I102 R103 Q108 I109H78-G105 WeakPolarHBondContact O-CA 3.44Å; N82-G105 PolarHBondContact ND2-N 3.09Å; G101-G105 PolarHBondContact O-N 3.12Å; I102-G105 PolarHBondContact O-N 3.31Å; R103-G105 VanDerWaalsContact C-N 3.35Å; R103-G105 PolarHBondContact O-N 3.42Å; G105-Q108 PolarHBondContact O-N 3.13Å; G105-I109 WeakPolarHBondContact O-CG2 3.41Å; G105-I109 PolarHBondContact O-N 3.37Å
106F98.9Very high96.9Very high1 Ų140.1 Ų40.10%0.00420%0.197CC..Hα-helixtrans-63.4-44.2175.9-89.1-108000112.9L75 I79 I102 R103 T104 I109 D110 A130 I143 C145 L198 P220L75-F106 HydrophobicContact CD1-CD2 3.85Å; L75-F106 HydrophobicContact CD1-CE2 3.87Å; L75-F106 HydrophobicContact CD1-CG 4.29Å; L75-F106 HydrophobicContact CD1-CZ 4.29Å; L75-F106 HydrophobicContact CD2-CE1 4.43Å; L75-F106 HydrophobicContact CD2-CE2 3.84Å; L75-F106 HydrophobicContact CD2-CZ 3.73Å; L75-F106 HydrophobicContact CG-CE2 4.32Å; I79-F106 HydrophobicContact CD1-CD2 4.39Å; I79-F106 HydrophobicContact CD1-CE2 4.08Å; I102-F106 HydrophobicContact CG2-CD2 4.06Å; I102-F106 HydrophobicContact CG2-CE2 3.98Å; I102-F106 WeakPolarHBondContact O-CD2 3.38Å; I102-F106 PolarHBondContact O-N 3.41Å; R103-F106 PolarHBondContact O-N 3.18Å; T104-F106 PolarHBondContact O-N 3.09Å; F106-I109 WeakPolarHBondContact O-CG2 3.45Å; F106-D110 WeakPolarHBondContact O-CB 3.39Å; F106-D110 PolarHBondContact O-N 2.89Å; F106-D110 VanDerWaalsContact O-N 3.16Å; F106-A130 HydrophobicContact CE1-CB 3.89Å; F106-A130 HydrophobicContact CZ-CB 3.95Å; F106-I143 HydrophobicContact CE2-CG2 3.63Å; F106-I143 HydrophobicContact CZ-CG2 3.66Å; F106-C145 HydrophobicContact CD1-CB 4.11Å; F106-C145 HydrophobicContact CE1-CB 3.57Å; F106-C145 HydrophobicContact CZ-CB 4.45Å; F106-L198 HydrophobicContact CD1-CD1 4.06Å; F106-L198 HydrophobicContact CD1-CD2 4.01Å; F106-L198 HydrophobicContact CD1-CG 4.16Å; F106-L198 HydrophobicContact CE1-CD1 4.12Å; F106-L198 HydrophobicContact CE1-CG 4.48Å; F106-L198 WeakPolarHBondContact O-CD2 2.99Å; F106-P220 HydrophobicContact CB-CG 3.92Å; F106-P220 HydrophobicContact CD1-CB 3.98Å; F106-P220 HydrophobicContact CD1-CG 4.08Å; F106-P220 HydrophobicContact CD2-CB 4.06Å; F106-P220 HydrophobicContact CD2-CG 3.68Å; F106-P220 HydrophobicContact CE1-CB 4.02Å; F106-P220 HydrophobicContact CE2-CB 4.07Å; F106-P220 HydrophobicContact CE2-CG 4.15Å; F106-P220 HydrophobicContact CG-CB 4Å; F106-P220 HydrophobicContact CG-CG 3.62Å; F106-P220 HydrophobicContact CZ-CB 4.05Å
107L98.9Very high96.8Very high37 Ų3736.7 Ų36.719%0.19418%0.181CC..Hα-helixtrans-66.6-39.3177.9-60.7-174.1000111.9R103 T104 E111 T212 P218R103-L107 WeakPolarHBondContact O-CG 3.49Å; R103-L107 PolarHBondContact O-N 3.28Å; R103-L107 VanDerWaalsContact O-N 3.13Å; T104-L107 PolarHBondContact O-N 2.76Å; L107-E111 WeakPolarHBondContact O-CB 3.36Å; L107-E111 PolarHBondContact O-N 3.44Å; L107-E111 VanDerWaalsContact O-N 3.17Å; L107-T212 HydrophobicContact CD1-CG2 4.39Å; L107-T212 HydrophobicContact CD2-CG2 3.81Å; L107-P218 HydrophobicContact CD2-CB 4.42Å; L107-P218 HydrophobicContact CD2-CG 3.72Å
108Q98.8Very high96.7Very high87 Ų8741.7 Ų41.741%0.40720%0.201SC..Hα-helixtrans-69.1-44.3-179.9-74.6179.9-5.800112.2T104 G105 D110 E111 H112T104-Q108 HydrophobicContact CG2-CG 4.1Å; T104-Q108 VanDerWaalsContact CG2-NE2 3.34Å; T104-Q108 WeakPolarHBondContact O-CB 3.49Å; T104-Q108 VanDerWaalsContact O-CG 3.26Å; T104-Q108 WeakPolarHBondContact O-CG 3.26Å; T104-Q108 PolarHBondContact O-N 3.35Å; G105-Q108 PolarHBondContact O-N 3.13Å; Q108-D110 VanDerWaalsContact C-N 3.34Å; Q108-E111 PolarHBondContact O-N 2.93Å; Q108-H112 VanDerWaalsContact O-CB 3.24Å; Q108-H112 WeakPolarHBondContact O-CB 3.33Å; Q108-H112 PolarHBondContact O-N 3.29Å
109I98.8Very high96.2Very high0 Ų049.4 Ų49.40%024%0.235CC..Hα-helixtrans-66.7-37.1178.8-165.1171.5000111.6Y70 H74 L75 H78 G105 F106 H112 M113 L198Y70-I109 HydrophobicContact CD1-CD1 3.98Å; Y70-I109 HydrophobicContact CD1-CG1 4.06Å; Y70-I109 HydrophobicContact CE1-CD1 3.95Å; Y70-I109 HydrophobicContact CE1-CG1 3.78Å; H74-I109 HydrophobicContact CB-CD1 4.2Å; L75-I109 HydrophobicContact CB-CD1 4.13Å; L75-I109 HydrophobicContact CD1-CD1 4.39Å; L75-I109 HydrophobicContact CD1-CG2 3.87Å; H78-I109 HydrophobicContact CB-CB 4.15Å; G105-I109 WeakPolarHBondContact O-CG2 3.41Å; G105-I109 PolarHBondContact O-N 3.37Å; F106-I109 WeakPolarHBondContact O-CG2 3.45Å; I109-H112 PolarHBondContact O-N 3.24Å; I109-M113 HydrophobicContact CG1-CE 4.22Å; I109-M113 WeakPolarHBondContact O-CB 3.28Å; I109-M113 WeakPolarHBondContact O-CG 3.44Å; I109-M113 PolarHBondContact O-N 3.27Å; I109-L198 HydrophobicContact CG2-CD1 4.1Å; I109-L198 HydrophobicContact CG2-CD2 3.94Å
110D98.8Very high95.5Very high5 Ų554.1 Ų54.13%0.02726%0.255CS..Hα-helixtrans-62-47.5176.4-161.859.9000111.3F106 Q108 M113 R114 L198 G199 F201 K204 P218F106-D110 WeakPolarHBondContact O-CB 3.39Å; F106-D110 PolarHBondContact O-N 2.89Å; F106-D110 VanDerWaalsContact O-N 3.16Å; Q108-D110 VanDerWaalsContact C-N 3.34Å; D110-M113 PolarHBondContact O-N 2.95Å; D110-R114 PolarHBondContact O-N 2.63Å; D110-L198 HydrophobicContact CB-CD2 3.78Å; D110-L198 WeakPolarHBondContact OD1-CA 3.3Å; D110-G199 PolarHBondContact OD1-N 3.31Å; D110-F201 WeakPolarHBondContact O-CE1 3.44Å; D110-F201 WeakPolarHBondContact O-CZ 3.47Å; D110-K204 IonicContact OD1-NZ 3.41Å; D110-K204 PolarHBondContact OD1-NZ 2.95Å; D110-K204 WeakPolarHBondContact OD2-CD 3.27Å; D110-K204 IonicContact OD2-NZ 2.86Å; D110-K204 PolarHBondContact OD2-NZ 3.37Å; D110-P218 HydrophobicContact CB-CB 3.9Å; D110-P218 HydrophobicContact CB-CG 4.35Å
111E98.3Very high94.6Very high98 Ų9858.2 Ų58.246%0.45827%0.271SS..Hα-helixtrans-66.9-37.2177.2-178.256.4-156.200112.3L107 Q108 R114 T115L107-E111 WeakPolarHBondContact O-CB 3.36Å; L107-E111 PolarHBondContact O-N 3.44Å; L107-E111 VanDerWaalsContact O-N 3.17Å; Q108-E111 PolarHBondContact O-N 2.93Å; E111-R114 WeakPolarHBondContact O-CB 3.29Å; E111-R114 PolarHBondContact O-N 2.99Å; E111-R114 IonicContact OE2-NE 2.66Å; E111-T115 PolarHBondContact O-N 2.98Å; E111-T115 PolarHBondContact O-OG1 3.07Å; E111-T115 VanDerWaalsContact O-OG1 3.11Å
112H97.9Very high93.3Very high77 Ų7760 Ų6036%0.35629%0.289SS..Hα-helixtrans-62-47.5176-176.7-115000111.4Y70 H78 Q108 I109 R114 T115 I116Y70-H112 AromaticContact CE1-ND1 3.96Å; Y70-H112 AromaticContact CZ-CE1 4Å; Y70-H112 AromaticContact CZ-ND1 3.71Å; Y70-H112 PolarHBondContact OH-CE1 3.04Å; Y70-H112 PolarHBondContact OH-ND1 2.61Å; H78-H112 AromaticContact NE2-ND1 3.9Å; Q108-H112 VanDerWaalsContact O-CB 3.24Å; Q108-H112 WeakPolarHBondContact O-CB 3.33Å; Q108-H112 PolarHBondContact O-N 3.29Å; I109-H112 PolarHBondContact O-N 3.24Å; H112-R114 PolarHBondContact O-N 3.37Å; H112-T115 PolarHBondContact O-N 2.92Å; H112-I116 WeakPolarHBondContact CE1-CD1 3.45Å; H112-I116 WeakPolarHBondContact O-CG1 3.46Å; H112-I116 PolarHBondContact O-N 3.38Å
113M97.6Very high92.4Very high14 Ų1466.6 Ų66.67%0.06933%0.329CS..Hα-helixtrans-62.5-40.2175.5-74.7-172-67.100112.1V67 Y70 I109 D110 T115 I116 S117 L198 F201V67-M113 HydrophobicContact CB-SD 4.41Å; V67-M113 HydrophobicContact CG1-CE 3.93Å; V67-M113 HydrophobicContact CG1-SD 4.03Å; V67-M113 HydrophobicContact CG2-SD 4.25Å; Y70-M113 HydrophobicContact CD1-CG 3.41Å; Y70-M113 VanDerWaalsContact CD1-CG 3.41Å; Y70-M113 HydrophobicContact CD1-SD 3.45Å; Y70-M113 WeakPolarHBondContact CD1-SD 3.27Å; Y70-M113 HydrophobicContact CE1-CG 3.72Å; Y70-M113 HydrophobicContact CE1-SD 4.32Å; Y70-M113 HydrophobicContact CG-CG 4.12Å; Y70-M113 HydrophobicContact CG-SD 4Å; I109-M113 HydrophobicContact CG1-CE 4.22Å; I109-M113 WeakPolarHBondContact O-CB 3.28Å; I109-M113 WeakPolarHBondContact O-CG 3.44Å; I109-M113 PolarHBondContact O-N 3.27Å; D110-M113 PolarHBondContact O-N 2.95Å; M113-T115 PolarHBondContact O-N 3.43Å; M113-I116 PolarHBondContact O-N 2.65Å; M113-S117 WeakPolarHBondContact O-CB 3.22Å; M113-S117 PolarHBondContact O-N 3.03Å; M113-L198 HydrophobicContact CE-CB 4.03Å; M113-F201 HydrophobicContact CB-CE2 4.3Å; M113-F201 HydrophobicContact CB-CZ 3.76Å
114R96.3Very high91.7Very high42 Ų4264.3 Ų64.316%0.15832%0.324CS..Hα-helixtrans-57.4-50.8174.6-174.3-177.7-60.5-1544.7111.4D110 E111 H112 I116 S117 E118 F201 K204D110-R114 PolarHBondContact O-N 2.63Å; E111-R114 WeakPolarHBondContact O-CB 3.29Å; E111-R114 PolarHBondContact O-N 2.99Å; E111-R114 IonicContact OE2-NE 2.66Å; H112-R114 PolarHBondContact O-N 3.37Å; R114-I116 VanDerWaalsContact C-N 3.29Å; R114-I116 PolarHBondContact O-N 3.45Å; R114-S117 PolarHBondContact O-N 2.67Å; R114-S117 VanDerWaalsContact O-N 3.13Å; R114-E118 WeakPolarHBondContact O-CG 3.35Å; R114-E118 PolarHBondContact O-N 3.43Å; R114-F201 HydrophobicContact CB-CD1 3.91Å; R114-F201 HydrophobicContact CB-CD2 4.49Å; R114-F201 HydrophobicContact CB-CE1 3.66Å; R114-F201 HydrophobicContact CB-CE2 4.26Å; R114-F201 HydrophobicContact CB-CG 4.33Å; R114-F201 HydrophobicContact CB-CZ 3.85Å; R114-F201 HydrophobicContact CG-CD1 4.09Å; R114-F201 HydrophobicContact CG-CE1 4.36Å; R114-F201 HydrophobicContact CG-CG 4.25Å; R114-F201 VanDerWaalsContact N-CZ 3.28Å; R114-K204 PolarHBondContact NH1-O 2.89Å
115T94.8Very high91.5Very high40 Ų4071.4 Ų71.425%0.24535%0.348CS..Hα-helixtrans-59.5-39.4179.5-65.30000111.9E111 H112 M113 K119E111-T115 PolarHBondContact O-N 2.98Å; E111-T115 PolarHBondContact O-OG1 3.07Å; E111-T115 VanDerWaalsContact O-OG1 3.11Å; H112-T115 PolarHBondContact O-N 2.92Å; M113-T115 PolarHBondContact O-N 3.43Å; T115-K119 HydrophobicContact CG2-CD 4.13Å; T115-K119 WeakPolarHBondContact O-CB 3.41Å; T115-K119 VanDerWaalsContact O-CG 3.27Å; T115-K119 WeakPolarHBondContact O-CG 3.22Å; T115-K119 PolarHBondContact O-N 2.81Å
116I90.7Very high91.4Very high52 Ų5271.5 Ų71.527%0.26735%0.349SS..Hα-helixtrans-66.1-45.2176.2-69.9169.5000110.8H112 M113 R114 K119 K120H112-I116 WeakPolarHBondContact CE1-CD1 3.45Å; H112-I116 WeakPolarHBondContact O-CG1 3.46Å; H112-I116 PolarHBondContact O-N 3.38Å; M113-I116 PolarHBondContact O-N 2.65Å; R114-I116 VanDerWaalsContact C-N 3.29Å; R114-I116 PolarHBondContact O-N 3.45Å; I116-K119 PolarHBondContact O-N 3.3Å; I116-K120 HydrophobicContact CG2-CD 3.94Å; I116-K120 WeakPolarHBondContact O-CB 3.5Å; I116-K120 WeakPolarHBondContact O-CG 2.98Å; I116-K120 PolarHBondContact O-N 3.16Å
117S89.7Confident91.4Very high33 Ų3371.5 Ų71.523%0.23135%0.349CS..Hα-helixtrans-61.2-47.1-179.3-171.20000111.4M113 R114 K119 K120 H121 G122M113-S117 WeakPolarHBondContact O-CB 3.22Å; M113-S117 PolarHBondContact O-N 3.03Å; R114-S117 PolarHBondContact O-N 2.67Å; R114-S117 VanDerWaalsContact O-N 3.13Å; S117-K119 PolarHBondContact O-N 2.74Å; S117-K120 PolarHBondContact O-N 2.86Å; S117-H121 PolarHBondContact O-N 3.39Å; S117-G122 PolarHBondContact O-N 2.97Å
118E88.8Confident91.4Very high136 Ų13669.7 Ų69.764%0.63634%0.34SS*.Hα-helixtrans-60.4-45.7177.4-71.2178.2175.700112.3R114 K120 H121R114-E118 WeakPolarHBondContact O-CG 3.35Å; R114-E118 PolarHBondContact O-N 3.43Å; E118-K120 VanDerWaalsContact C-N 3.32Å; E118-K120 PolarHBondContact O-N 3Å; E118-H121 PolarHBondContact O-N 2.71Å
119K85.1Confident91.4Very high162 Ų16265.6 Ų65.670%0.70432%0.321SS*.Hα-helixtrans-64-36.4179.6-75.3173.9-176.3171.40112.9T115 I116 S117 H121T115-K119 HydrophobicContact CG2-CD 4.13Å; T115-K119 WeakPolarHBondContact O-CB 3.41Å; T115-K119 VanDerWaalsContact O-CG 3.27Å; T115-K119 WeakPolarHBondContact O-CG 3.22Å; T115-K119 PolarHBondContact O-N 2.81Å; I116-K119 PolarHBondContact O-N 3.3Å; S117-K119 PolarHBondContact O-N 2.74Å; K119-H121 VanDerWaalsContact C-N 3.32Å
120K83.4Confident91.4Very high163 Ų16365.8 Ų65.871%0.70932%0.322SS*.Hα-helixtrans-881.6-177.2-69.5-176.5179.21770113.3I116 S117 E118 G122I116-K120 HydrophobicContact CG2-CD 3.94Å; I116-K120 WeakPolarHBondContact O-CB 3.5Å; I116-K120 WeakPolarHBondContact O-CG 2.98Å; I116-K120 PolarHBondContact O-N 3.16Å; S117-K120 PolarHBondContact O-N 2.86Å; E118-K120 VanDerWaalsContact C-N 3.32Å; E118-K120 PolarHBondContact O-N 3Å; K120-G122 PolarHBondContact O-N 3.4Å
121H77.9Confident91.4Very high169 Ų16965.6 Ų65.678%0.78232%0.321SS*.THydrogen-bonded Turntrans49.244.1-168.4-57.577.1000110.6S117 E118 K119 V123S117-H121 PolarHBondContact O-N 3.39Å; E118-H121 PolarHBondContact O-N 2.71Å; K119-H121 VanDerWaalsContact C-N 3.32Å; H121-V123 PolarHBondContact O-N 3.32Å
122G69.6Low91.4Very high37 Ų3761 Ų6138%0.38130%0.3SS..  trans-56.2129.5-175.100000110.9S117 K120 D124S117-G122 PolarHBondContact O-N 2.97Å; K120-G122 PolarHBondContact O-N 3.4Å; G122-D124 VanDerWaalsContact C-N 3.29Å
123V79.8Confident91.5Very high139 Ų13957.3 Ų57.384%0.84228%0.283SS*.  trans-87.6-9.5174.5-151.50000111.1H121H121-V123 PolarHBondContact O-N 3.32Å
124D84.5Confident91.5Very high39 Ų3956.7 Ų56.721%0.20928%0.28CS..  trans-71.1126.7179.9-17083.9000110.7Q66 G122 S126Q66-D124 VanDerWaalsContact CD-CG 3.43Å; Q66-D124 VanDerWaalsContact CD-OD1 3.24Å; Q66-D124 WeakPolarHBondContact CG-OD1 3.46Å; Q66-D124 VanDerWaalsContact NE2-CB 3.26Å; Q66-D124 PolarHBondContact NE2-OD1 3.11Å; G122-D124 VanDerWaalsContact C-N 3.29Å; D124-S126 WeakPolarHBondContact OD2-CB 3.49Å; D124-S126 PolarHBondContact OD2-N 2.92Å; D124-S126 PolarHBondContact OD2-OG 3.31Å
125R93.6Very high91.6Very high169 Ų16954.7 Ų54.764%0.63827%0.272SS*.  trans-116.925.8176.7-61-175.4-178.5-152.25.1110.3D202R125-D202 WeakPolarHBondContact CD-OD2 3.36Å; R125-D202 IonicContact CZ-OD2 3.56Å; R125-D202 IonicContact NE-OD2 3.82Å; R125-D202 IonicContact NH1-OD2 3.88Å; R125-D202 PolarHBondContact NH1-OD2 3.45Å
126S97.4Very high91.7Very high2 Ų252.9 Ų52.91%0.01426%0.261CS..  trans-71156.3-174.9104.60000110.3H62 A63 G64 V67 D124 D200H62-S126 CarbonylContact O-C 3.53Å; H62-S126 WeakPolarHBondContact O-CA 3.44Å; H62-S126 WeakPolarHBondContact O-CB 3.35Å; A63-S126 WeakPolarHBondContact O-CB 3.37Å; G64-S126 WeakPolarHBondContact O-CB 3.32Å; G64-S126 PolarHBondContact O-OG 3.5Å; V67-S126 WeakPolarHBondContact CB-OG 3.48Å; V67-S126 WeakPolarHBondContact CG2-O 3.41Å; V67-S126 WeakPolarHBondContact CG2-OG 3.35Å; V67-S126 PolarHBondContact N-OG 3.34Å; V67-S126 VanDerWaalsContact N-OG 3.12Å; D124-S126 WeakPolarHBondContact OD2-CB 3.49Å; D124-S126 PolarHBondContact OD2-N 2.92Å; D124-S126 PolarHBondContact OD2-OG 3.31Å; S126-D200 PolarHBondContact O-N 3.4Å; S126-D200 VanDerWaalsContact O-N 3.16Å
127G98.6Very high92Very high0 Ų054.1 Ų54.10%027%0.273CS..EExtended strand (participates in β ladder)trans-130.4175.9165.900000109.5H62 L198H62-G127 PolarHBondContact N-O 3.15Å; H62-G127 WeakPolarHBondContact NE2-CA 3.06Å; H62-G127 PolarHBondContact O-N 2.77Å; G127-L198 CarbonylContact C-O 3.56Å; G127-L198 WeakPolarHBondContact CA-O 3.2Å
128S98.9Very high92.2Very high0 Ų055.7 Ų55.70%028%0.283CS..EExtended strand (participates in β ladder)trans-153.1143.7170.4-165.80000111.9D60 A68 A197 L198D60-S128 CarbonylContact O-C 3.6Å; D60-S128 WeakPolarHBondContact O-CA 3.44Å; D60-S128 WeakPolarHBondContact O-CB 3.42Å; D60-S128 PolarHBondContact O-OG 3.31Å; A68-S128 WeakPolarHBondContact CB-OG 3.5Å; S128-A197 WeakPolarHBondContact O-CA 3.41Å; S128-A197 WeakPolarHBondContact O-CB 3.5Å; S128-L198 PolarHBondContact N-O 2.95Å; S128-L198 PolarHBondContact O-N 3.24Å
129T98.9Very high92.7Very high1 Ų150.7 Ų50.71%0.00626%0.26CS..  trans-69.9168.8162.376.40000110.3Y59 D60 C145 D147 S148 V194Y59-T129 WeakPolarHBondContact CA-O 3.35Å; D60-T129 HydrophobicContact CB-CG2 4.02Å; D60-T129 WeakPolarHBondContact CB-OG1 3.16Å; D60-T129 PolarHBondContact N-OG1 2.98Å; D60-T129 PolarHBondContact O-N 3.26Å; T129-C145 CarbonylContact C-O 3.43Å; T129-C145 WeakPolarHBondContact CA-O 3.37Å; T129-D147 WeakPolarHBondContact CG2-OD1 3.49Å; T129-S148 PolarHBondContact OG1-OG 2.97Å; T129-V194 HydrophobicContact CG2-CG1 4.33Å
130A98.9Very high93.3Very high3 Ų343 Ų433%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-146.2125.9160.700000109.7Y59 L75 F106 N144 C145Y59-A130 HydrophobicContact CD1-CB 3.71Å; Y59-A130 HydrophobicContact CE1-CB 3.87Å; L75-A130 HydrophobicContact CD2-CB 4.44Å; F106-A130 HydrophobicContact CE1-CB 3.89Å; F106-A130 HydrophobicContact CZ-CB 3.95Å; A130-N144 CarbonylContact O-C 3.59Å; A130-C145 PolarHBondContact N-O 3.31Å; A130-C145 PolarHBondContact O-N 2.79Å
131V99Very high94.1Very high1 Ų135.3 Ų35.31%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-123.6134.1166.472.20000109.4A57 V58 I143 N144 S148 T162 L237A57-V131 CarbonylContact C-O 3.51Å; A57-V131 WeakPolarHBondContact CA-O 3.22Å; V58-V131 HydrophobicContact CB-CG1 4.1Å; V58-V131 PolarHBondContact N-O 3.2Å; V58-V131 PolarHBondContact O-N 3.02Å; V131-I143 CarbonylContact C-O 3.59Å; V131-I143 WeakPolarHBondContact CA-O 3.41Å; V131-N144 HydrophobicContact CG2-CB 4.45Å; V131-S148 VanDerWaalsContact CG1-CB 3.47Å; V131-T162 HydrophobicContact CG2-CG2 4.32Å; V131-L237 HydrophobicContact CG1-CB 4.47Å; V131-L237 HydrophobicContact CG2-CD2 4.39Å
132G98.9Very high95.1Very high2 Ų227.3 Ų27.32%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-160.1170.4-173.700000114.3F56 I143F56-G132 CarbonylContact O-C 3.6Å; F56-G132 WeakPolarHBondContact O-CA 3.45Å; G132-I143 PolarHBondContact N-O 2.93Å; G132-I143 PolarHBondContact O-N 3.26Å
133V98.9Very high96.5Very high0 Ų025.7 Ų25.70%014%0.139CC..EExtended strand (participates in β ladder)trans-129.3135.9168.2-69.30000110.6F55 F56 I135 I140 Y141 F142 I235 L237F55-V133 WeakPolarHBondContact CA-O 3.23Å; F55-V133 WeakPolarHBondContact CD2-O 3.01Å; F56-V133 HydrophobicContact CB-CG2 4.14Å; F56-V133 HydrophobicContact CD2-CG2 4.26Å; F56-V133 PolarHBondContact N-O 3.04Å; F56-V133 PolarHBondContact O-N 2.86Å; V133-I135 HydrophobicContact CB-CG1 4.24Å; V133-I135 HydrophobicContact CG2-CD1 3.97Å; V133-I135 HydrophobicContact CG2-CG1 4.02Å; V133-I140 HydrophobicContact CB-CG2 4.24Å; V133-I140 HydrophobicContact CG1-CG2 3.99Å; V133-Y141 CarbonylContact C-O 3.59Å; V133-Y141 VanDerWaalsContact CA-O 3.25Å; V133-Y141 WeakPolarHBondContact CA-O 3.07Å; V133-F142 HydrophobicContact CG1-CD1 3.48Å; V133-F142 VanDerWaalsContact CG1-CD1 3.48Å; V133-F142 HydrophobicContact CG1-CD2 4.04Å; V133-F142 HydrophobicContact CG1-CE1 3.52Å; V133-F142 HydrophobicContact CG1-CE2 4.07Å; V133-F142 HydrophobicContact CG1-CG 3.75Å; V133-F142 HydrophobicContact CG1-CZ 3.83Å; V133-I235 HydrophobicContact CG1-CD1 4.28Å; V133-I235 HydrophobicContact CG1-CG2 4.17Å; V133-I235 HydrophobicContact CG2-CD1 4.32Å; V133-I235 HydrophobicContact CG2-CG2 4.32Å; V133-L237 HydrophobicContact CG1-CD2 4.26Å; V133-L237 HydrophobicContact CG2-CD1 4.28Å
134M98.6Very high97.4Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-105.1120.7162.4-172.3174.6-65.600107.9W53 S54 F55 L76 I79 F85 Y141 I143W53-M134 HydrophobicContact CE3-CG 3.62Å; W53-M134 HydrophobicContact CE3-SD 3.8Å; W53-M134 HydrophobicContact CZ3-CG 3.85Å; W53-M134 HydrophobicContact CZ3-SD 3.72Å; S54-M134 WeakPolarHBondContact O-CA 3.42Å; F55-M134 HydrophobicContact CD2-CB 4.14Å; F55-M134 HydrophobicContact CD2-CE 4.01Å; F55-M134 HydrophobicContact CE2-CE 4.45Å; L76-M134 HydrophobicContact CD1-CE 4.03Å; I79-M134 HydrophobicContact CG2-CE 3.71Å; F85-M134 HydrophobicContact CE2-CE 4.26Å; F85-M134 HydrophobicContact CE2-SD 3.71Å; F85-M134 HydrophobicContact CZ-SD 3.76Å; M134-Y141 PolarHBondContact N-O 2.81Å; M134-Y141 WeakPolarHBondContact O-CD2 3.16Å; M134-Y141 PolarHBondContact O-N 3.43Å; M134-I143 HydrophobicContact CB-CD1 4.41Å
135I98.6Very high98.1Very high1 Ų117.2 Ų17.21%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-111.8115.6-172.9-54.8174.3000108.2L22 W53 S54 F56 V133 I140 I235 I290 F292L22-I135 HydrophobicContact CD1-CB 4.45Å; L22-I135 HydrophobicContact CD1-CD1 3.84Å; L22-I135 HydrophobicContact CD1-CG2 4.3Å; W53-I135 CarbonylContact C-O 3.52Å; W53-I135 WeakPolarHBondContact CA-O 3.28Å; S54-I135 PolarHBondContact N-O 2.96Å; S54-I135 PolarHBondContact O-N 2.64Å; F56-I135 HydrophobicContact CD2-CD1 4.32Å; F56-I135 HydrophobicContact CE2-CD1 4.33Å; V133-I135 HydrophobicContact CB-CG1 4.24Å; V133-I135 HydrophobicContact CG2-CD1 3.97Å; V133-I135 HydrophobicContact CG2-CG1 4.02Å; I135-I140 HydrophobicContact CG1-CG2 4.44Å; I135-I140 HydrophobicContact CG2-CG1 4.42Å; I135-I235 HydrophobicContact CD1-CD1 4.24Å; I135-I290 HydrophobicContact CD1-CG2 4.35Å; I135-F292 HydrophobicContact CD1-CZ 4.19Å; I135-F292 HydrophobicContact CG2-CE1 4.42Å
136S96.8Very high98.3Very high2 Ų29.2 Ų9.21%0.0146%0.059CC..  trans-96.5177172.1850000110.7S138 H139 R227S136-S138 PolarHBondContact O-N 2.94Å; S136-S138 PolarHBondContact OG-N 2.81Å; S136-H139 PolarHBondContact N-O 3.01Å; S136-H139 PolarHBondContact OG-N 2.8Å; S136-H139 PolarHBondContact OG-O 2.94Å; S136-R227 VanDerWaalsContact O-CD 3.25Å; S136-R227 WeakPolarHBondContact O-CD 3.3Å; S136-R227 PolarHBondContact O-NH1 3.2Å
137P95.6Very high98.4Very high78 Ų789.3 Ų9.351%0.5066%0.059SC..SBendtrans-55-31171-30.238.3000114.5P52 R227P52-P137 HydrophobicContact CB-CG 3.94Å; P52-P137 HydrophobicContact CG-CG 4.12Å; P137-R227 PolarHBondContact O-NH1 3.24Å
138S95.5Very high98.4Very high65 Ų659.3 Ų9.346%0.4556%0.059SC..SBendtrans-116.8-19.8-171.957.20000114.9S136 R227S136-S138 PolarHBondContact O-N 2.94Å; S136-S138 PolarHBondContact OG-N 2.81Å; S138-R227 PolarHBondContact O-N 2.74Å
139H97.9Very high98.4Very high32 Ų3211.1 Ų11.115%0.1487%0.066CC..EExtended strand (participates in β ladder)trans-135.9152.2-172.8-69.875.8000112.5S136 Y141 I225S136-H139 PolarHBondContact N-O 3.01Å; S136-H139 PolarHBondContact OG-N 2.8Å; S136-H139 PolarHBondContact OG-O 2.94Å; H139-Y141 HydrophobicContact CB-CD2 4.16Å; H139-Y141 HydrophobicContact CB-CE2 3.54Å; H139-I225 CarbonylContact C-O 3.41Å; H139-I225 VanDerWaalsContact CA-O 3.3Å; H139-I225 WeakPolarHBondContact CA-O 3.29Å
140I98.8Very high98.4Very high0 Ų011 Ų110%07%0.066CC..EExtended strand (participates in β ladder)trans-109.9117.1165-58.5156000106.5V133 I135 F142 L152 I225 R227 I235 F292V133-I140 HydrophobicContact CB-CG2 4.24Å; V133-I140 HydrophobicContact CG1-CG2 3.99Å; I135-I140 HydrophobicContact CG1-CG2 4.44Å; I135-I140 HydrophobicContact CG2-CG1 4.42Å; I140-F142 HydrophobicContact CG2-CD2 3.73Å; I140-F142 HydrophobicContact CG2-CE2 3.52Å; I140-F142 HydrophobicContact CG2-CZ 4.37Å; I140-L152 HydrophobicContact CD1-CD1 4.28Å; I140-L152 HydrophobicContact CD1-CD2 4.22Å; I140-I225 PolarHBondContact N-O 3.29Å; I140-I225 PolarHBondContact O-N 3Å; I140-R227 HydrophobicContact CD1-CG 4.05Å; I140-R227 HydrophobicContact CG1-CG 3.78Å; I140-I235 HydrophobicContact CD1-CD1 4.28Å; I140-I235 HydrophobicContact CG2-CD1 3.78Å; I140-F292 HydrophobicContact CD1-CE1 4.34Å; I140-F292 HydrophobicContact CD1-CE2 4.25Å; I140-F292 HydrophobicContact CD1-CZ 3.64Å; I140-F292 HydrophobicContact CG1-CZ 4.08Å
141Y98.8Very high98.4Very high2 Ų210.9 Ų10.91%0.0086%0.064CC..EExtended strand (participates in β ladder)trans-98.8100.8175.4-60.6-89.9000108.9W53 V95 V98 V133 M134 H139 Y223 A224W53-Y141 AromaticContact CH2-CE2 3.93Å; W53-Y141 HydrophobicContact CH2-CE2 3.93Å; W53-Y141 HydrophobicContact CZ3-CD2 4.21Å; W53-Y141 AromaticContact CZ3-CE2 3.91Å; W53-Y141 HydrophobicContact CZ3-CE2 3.91Å; V95-Y141 HydrophobicContact CG1-CE1 4.26Å; V95-Y141 HydrophobicContact CG2-CE1 4.48Å; V98-Y141 HydrophobicContact CB-CD1 4.37Å; V98-Y141 HydrophobicContact CB-CE1 3.84Å; V98-Y141 HydrophobicContact CG1-CD1 3.75Å; V98-Y141 HydrophobicContact CG1-CD2 4.01Å; V98-Y141 HydrophobicContact CG1-CE1 3.66Å; V98-Y141 HydrophobicContact CG1-CE2 3.93Å; V98-Y141 HydrophobicContact CG1-CG 3.92Å; V98-Y141 HydrophobicContact CG2-CE1 4.43Å; V133-Y141 CarbonylContact C-O 3.59Å; V133-Y141 VanDerWaalsContact CA-O 3.25Å; V133-Y141 WeakPolarHBondContact CA-O 3.07Å; M134-Y141 PolarHBondContact N-O 2.81Å; M134-Y141 WeakPolarHBondContact O-CD2 3.16Å; M134-Y141 PolarHBondContact O-N 3.43Å; H139-Y141 HydrophobicContact CB-CD2 4.16Å; H139-Y141 HydrophobicContact CB-CE2 3.54Å; Y141-Y223 CarbonylContact C-O 3.51Å; Y141-Y223 VanDerWaalsContact CA-O 3.25Å; Y141-Y223 WeakPolarHBondContact CA-O 3.2Å; Y141-A224 HydrophobicContact CD1-CB 3.71Å; Y141-A224 HydrophobicContact CE1-CB 3.63Å
142F98.9Very high98.4Very high0 Ų010.9 Ų10.90%06%0.064CC..EExtended strand (participates in β ladder)trans-74.8136.3170-82.7-93.3000110.1V133 I140 L152 F160 T162 V222 Y223 I225 I235V133-F142 HydrophobicContact CG1-CD1 3.48Å; V133-F142 VanDerWaalsContact CG1-CD1 3.48Å; V133-F142 HydrophobicContact CG1-CD2 4.04Å; V133-F142 HydrophobicContact CG1-CE1 3.52Å; V133-F142 HydrophobicContact CG1-CE2 4.07Å; V133-F142 HydrophobicContact CG1-CG 3.75Å; V133-F142 HydrophobicContact CG1-CZ 3.83Å; I140-F142 HydrophobicContact CG2-CD2 3.73Å; I140-F142 HydrophobicContact CG2-CE2 3.52Å; I140-F142 HydrophobicContact CG2-CZ 4.37Å; F142-L152 HydrophobicContact CE2-CB 3.94Å; F142-L152 HydrophobicContact CZ-CB 3.76Å; F142-F160 HydrophobicContact CB-CD1 4.37Å; F142-F160 HydrophobicContact CB-CE1 3.55Å; F142-F160 HydrophobicContact CB-CZ 4.17Å; F142-F160 HydrophobicContact CD1-CD1 4.09Å; F142-F160 AromaticContact CD1-CE1 3.78Å; F142-F160 HydrophobicContact CD1-CE1 3.78Å; F142-F160 AromaticContact CD2-CD1 3.6Å; F142-F160 HydrophobicContact CD2-CD1 3.6Å; F142-F160 AromaticContact CD2-CE1 3.67Å; F142-F160 HydrophobicContact CD2-CE1 3.67Å; F142-F160 HydrophobicContact CE1-CD1 4.25Å; F142-F160 HydrophobicContact CE1-CE1 4.37Å; F142-F160 AromaticContact CE2-CD1 3.78Å; F142-F160 HydrophobicContact CE2-CD1 3.78Å; F142-F160 HydrophobicContact CE2-CE1 4.28Å; F142-F160 AromaticContact CG-CD1 3.76Å; F142-F160 HydrophobicContact CG-CD1 3.76Å; F142-F160 AromaticContact CG-CE1 3.38Å; F142-F160 HydrophobicContact CG-CE1 3.38Å; F142-F160 HydrophobicContact CG-CZ 4.43Å; F142-F160 HydrophobicContact CZ-CD1 4.1Å; F142-T162 HydrophobicContact CB-CG2 4.08Å; F142-T162 HydrophobicContact CD1-CG2 3.92Å; F142-T162 HydrophobicContact CG-CG2 4.41Å; F142-V222 CarbonylContact O-C 3.49Å; F142-V222 VanDerWaalsContact O-CA 3.28Å; F142-V222 WeakPolarHBondContact O-CA 3.2Å; F142-Y223 PolarHBondContact N-O 3.33Å; F142-Y223 PolarHBondContact O-N 3.24Å; F142-I225 HydrophobicContact CD2-CD1 3.68Å; F142-I225 HydrophobicContact CE2-CD1 3.85Å; F142-I235 HydrophobicContact CE1-CG2 4.11Å; F142-I235 HydrophobicContact CE2-CD1 4.48Å; F142-I235 HydrophobicContact CZ-CD1 4.17Å; F142-I235 HydrophobicContact CZ-CG1 3.94Å; F142-I235 HydrophobicContact CZ-CG2 4.07Å
143I98.9Very high98.4Very high3 Ų310.8 Ų10.82%0.0156%0.063CC..EExtended strand (participates in β ladder)trans-129.3124.9-175.7-53.8169.2000107.1F55 I102 F106 V131 G132 M134 P220 E221 V222F55-I143 HydrophobicContact CE2-CD1 4.12Å; I102-I143 HydrophobicContact CD1-CD1 3.7Å; I102-I143 HydrophobicContact CD1-CG1 4Å; I102-I143 HydrophobicContact CG1-CD1 4.01Å; I102-I143 HydrophobicContact CG2-CD1 3.88Å; I102-I143 HydrophobicContact CG2-CG1 4.05Å; I102-I143 HydrophobicContact CG2-CG2 3.8Å; F106-I143 HydrophobicContact CE2-CG2 3.63Å; F106-I143 HydrophobicContact CZ-CG2 3.66Å; V131-I143 CarbonylContact C-O 3.59Å; V131-I143 WeakPolarHBondContact CA-O 3.41Å; G132-I143 PolarHBondContact N-O 2.93Å; G132-I143 PolarHBondContact O-N 3.26Å; M134-I143 HydrophobicContact CB-CD1 4.41Å; I143-P220 HydrophobicContact CG2-CB 3.98Å; I143-E221 WeakPolarHBondContact CA-O 3.26Å; I143-V222 HydrophobicContact CG1-CG1 4.39Å
144N98.9Very high98.4Very high0 Ų012.5 Ų12.50%07%0.07CC..EExtended strand (participates in β ladder)trans-133.7135.2174.7-172.140000112.6A130 V131 G146 S148 T162 Q163 H165 P220 E221A130-N144 CarbonylContact O-C 3.59Å; V131-N144 HydrophobicContact CG2-CB 4.45Å; N144-G146 PolarHBondContact ND2-O 2.81Å; N144-S148 PolarHBondContact OD1-O 3.26Å; N144-S148 VanDerWaalsContact OD1-O 3.12Å; N144-T162 HydrophobicContact CB-CG2 3.88Å; N144-Q163 PolarHBondContact ND2-O 3.32Å; N144-H165 PolarHBondContact ND2-ND1 2.69Å; N144-H165 PolarHBondContact O-CE1 3.33Å; N144-P220 CarbonylContact O-C 3.58Å; N144-P220 VanDerWaalsContact O-CA 3.32Å; N144-P220 WeakPolarHBondContact O-CA 3.28Å; N144-E221 PolarHBondContact N-O 3.35Å; N144-E221 PolarHBondContact O-N 2.86Å
145C98.9Very high98.3Very high1 Ų115.6 Ų15.61%0.00710%0.101CC..EExtended strand (participates in β ladder)trans-146.675.8172.1-168.90000109.1F106 T129 A130 P220F106-C145 HydrophobicContact CD1-CB 4.11Å; F106-C145 HydrophobicContact CE1-CB 3.57Å; F106-C145 HydrophobicContact CZ-CB 4.45Å; T129-C145 CarbonylContact C-O 3.43Å; T129-C145 WeakPolarHBondContact CA-O 3.37Å; A130-C145 PolarHBondContact N-O 3.31Å; A130-C145 PolarHBondContact O-N 2.79Å; C145-P220 HydrophobicContact CB-CB 4.3Å
146G98.8Very high98.1Very high0 Ų016.8 Ų16.80%011%0.114CC..SBendtrans148.4-153.717700000110.3N144 H165 R196N144-G146 PolarHBondContact ND2-O 2.81Å; G146-H165 PolarHBondContact N-ND1 3.44Å; G146-H165 WeakPolarHBondContact O-CB 3.45Å; G146-H165 PolarHBondContact O-N 2.83Å; G146-H165 PolarHBondContact O-ND1 2.79Å; G146-R196 WeakPolarHBondContact CA-O 3.15Å
147D98.8Very high98.1Very high5 Ų519 Ų193%0.02713%0.133CC..SBendtrans-114.46.5178.257.9-8.5000114.6T129 D164 K166 V194T129-D147 WeakPolarHBondContact CG2-OD1 3.49Å; D147-D164 HydrophobicContact CB-CB 4.11Å; D147-K166 HydrophobicContact CB-CD 4.01Å; D147-K166 VanDerWaalsContact CB-CE 3.47Å; D147-K166 VanDerWaalsContact CB-NZ 3.27Å; D147-K166 IonicContact OD2-NZ 3.84Å; D147-K166 PolarHBondContact OD2-NZ 2.95Å; D147-V194 HydrophobicContact CB-CG1 4.34Å; D147-V194 WeakPolarHBondContact OD1-CG1 3.31Å; D147-V194 VanDerWaalsContact OD2-CG1 3.31Å; D147-V194 WeakPolarHBondContact OD2-CG1 3.45Å
148S98.9Very high98.3Very high0 Ų016.4 Ų16.40%012%0.115CC..  trans-61.2153.4151.2-50.40000109.5D60 T129 V131 N144 A238D60-S148 WeakPolarHBondContact CB-OG 3.47Å; T129-S148 PolarHBondContact OG1-OG 2.97Å; V131-S148 VanDerWaalsContact CG1-CB 3.47Å; N144-S148 PolarHBondContact OD1-O 3.26Å; N144-S148 VanDerWaalsContact OD1-O 3.12Å; S148-A238 WeakPolarHBondContact CB-O 3.28Å
149R98.9Very high98.4Very high37 Ų3718 Ų1814%0.1412%0.115CC..EExtended strand (participates in β ladder)trans-137.9144.4-172-165.3-170.5-58.3145.311.2112.2T162 D164 A238 W243 N248R149-T162 WeakPolarHBondContact CA-OG1 3.47Å; R149-T162 WeakPolarHBondContact CG-O 3.48Å; R149-T162 WeakPolarHBondContact CG-OG1 3.25Å; R149-D164 IonicContact CZ-OD1 3.19Å; R149-D164 IonicContact CZ-OD2 3.62Å; R149-D164 IonicContact NE-OD1 3.25Å; R149-D164 PolarHBondContact NE-OD1 3.37Å; R149-D164 IonicContact NE-OD2 3.55Å; R149-D164 IonicContact NH2-OD1 2.7Å; R149-D164 PolarHBondContact NH2-OD1 3.18Å; R149-D164 IonicContact NH2-OD2 3.54Å; R149-D164 PolarHBondContact NH2-OD2 3.19Å; R149-A238 PolarHBondContact N-O 3.24Å; R149-A238 PolarHBondContact O-N 2.91Å; R149-W243 HydrophobicContact CB-CD2 4.12Å; R149-W243 HydrophobicContact CB-CG 4.03Å; R149-W243 HydrophobicContact CB-CZ2 4.35Å; R149-W243 WeakPolarHBondContact O-CZ2 3.28Å; R149-W243 PolarHBondContact O-NE1 3.41Å; R149-N248 WeakPolarHBondContact CD-OD1 3.48Å; R149-N248 PolarHBondContact NH1-OD1 2.87Å
150G98.9Very high98.5Very high0 Ų018.1 Ų18.10%012%0.115CC..EExtended strand (participates in β ladder)trans-120.3144.7173.400000110.9F161 T162 I236G150-F161 CarbonylContact O-C 3.49Å; G150-F161 WeakPolarHBondContact O-CA 3.44Å; G150-T162 PolarHBondContact N-OG1 2.93Å; G150-T162 PolarHBondContact O-N 3.38Å; G150-T162 PolarHBondContact O-OG1 3.27Å; G150-I236 CarbonylContact C-O 3.54Å; G150-I236 WeakPolarHBondContact CA-O 3.43Å
151L98.9Very high98.5Very high0 Ų022.9 Ų22.90%014%0.136CC..EExtended strand (participates in β ladder)trans-136.4156.7172.574.477.6000112.8V158 F160 F161 I235 I236 W243 N248L151-V158 HydrophobicContact CD1-CG2 4.39Å; L151-V158 HydrophobicContact CD2-CG2 4.23Å; L151-F160 CarbonylContact C-O 3.55Å; L151-F160 WeakPolarHBondContact CA-O 3.42Å; L151-F160 WeakPolarHBondContact CB-O 3.4Å; L151-F161 HydrophobicContact CB-CB 3.79Å; L151-I235 VanDerWaalsContact O-CA 3.23Å; L151-I235 WeakPolarHBondContact O-CA 3.29Å; L151-I235 WeakPolarHBondContact O-CG2 3.3Å; L151-I236 HydrophobicContact CD1-CB 4.41Å; L151-I236 HydrophobicContact CD1-CD1 4.16Å; L151-I236 HydrophobicContact CD1-CG1 4.19Å; L151-I236 HydrophobicContact CG-CB 4.19Å; L151-I236 HydrophobicContact CG-CD1 4.44Å; L151-I236 HydrophobicContact CG-CG1 4.47Å; L151-I236 PolarHBondContact N-O 3.49Å; L151-I236 PolarHBondContact O-N 3.47Å; L151-W243 HydrophobicContact CD2-CH2 3.4Å; L151-W243 VanDerWaalsContact CD2-CH2 3.4Å; L151-W243 HydrophobicContact CD2-CZ3 3.82Å; L151-W243 HydrophobicContact CG-CH2 4Å; L151-N248 HydrophobicContact CD2-CB 4.22Å
152L98.9Very high98.5Very high0 Ų022.8 Ų22.80%014%0.136CC..EExtended strand (participates in β ladder)trans-114.9124.9172.2173.163.6000109.6I140 F142 H159 F160 I225 I235 F292I140-L152 HydrophobicContact CD1-CD1 4.28Å; I140-L152 HydrophobicContact CD1-CD2 4.22Å; F142-L152 HydrophobicContact CE2-CB 3.94Å; F142-L152 HydrophobicContact CZ-CB 3.76Å; L152-H159 HydrophobicContact CG-CB 4.48Å; L152-H159 PolarHBondContact O-N 2.99Å; L152-F160 HydrophobicContact CB-CB 4.38Å; L152-F160 PolarHBondContact N-O 3.01Å; L152-I225 HydrophobicContact CD2-CD1 4.37Å; L152-I225 HydrophobicContact CD2-CG2 4.25Å; L152-I235 HydrophobicContact CB-CG1 4.37Å; L152-I235 HydrophobicContact CD1-CD1 4.32Å; L152-I235 HydrophobicContact CD1-CG1 3.72Å; L152-F292 HydrophobicContact CD1-CE2 4.16Å
153S98.8Very high98.5Very high0 Ų028.2 Ų28.20%016%0.161CC..EExtended strand (participates in β ladder)trans-88.8128.5163.2-171.70000109.9A157 E233 F234S153-A157 WeakPolarHBondContact CA-O 3.41Å; S153-E233 PolarHBondContact O-N 2.84Å; S153-E233 PolarHBondContact OG-OE2 3.27Å; S153-F234 PolarHBondContact N-O 3.16Å
154R98.6Very high98.5Very high37 Ų3729.2 Ų29.214%0.1417%0.167CC..EExtended strand (participates in β ladder)trans-142131.4174.7-178.4-178.5-69.9-174.9-7.7109.4G156 A157 H159 E226 E231 D232R154-G156 PolarHBondContact O-N 3.45Å; R154-A157 PolarHBondContact N-O 2.67Å; R154-A157 PolarHBondContact O-N 2.69Å; R154-H159 HydrophobicContact CB-CB 3.69Å; R154-E226 PolarHBondContact NH1-O 3.1Å; R154-E226 PolarHBondContact NH2-O 2.95Å; R154-E231 VanDerWaalsContact CA-O 3.31Å; R154-E231 WeakPolarHBondContact CA-O 3.49Å; R154-E231 HydrophobicContact CG-CB 3.7Å; R154-E231 WeakPolarHBondContact CG-O 3.3Å; R154-D232 IonicContact CZ-OD1 2.63Å; R154-D232 IonicContact NE-OD1 2.81Å; R154-D232 PolarHBondContact NE-OD1 2.95Å; R154-D232 VanDerWaalsContact NH2-CG 3.31Å; R154-D232 IonicContact NH2-OD1 3.69Å; R154-D232 PolarHBondContact NH2-OD1 3.08Å; R154-D232 IonicContact NH2-OD2 3.5Å; R154-D232 PolarHBondContact NH2-OD2 3.46Å
155G96.1Very high98.5Very high64 Ų6429.6 Ų29.666%0.6617%0.168SC*.THydrogen-bonded Turntrans60.426.4177.100000114.6E231G155-E231 PolarHBondContact N-O 3.12Å
156G95.6Very high98.5Very high27 Ų2731.9 Ų31.928%0.27818%0.178SC..THydrogen-bonded Turntrans94.15.2176.200000116.6R154 E233R154-G156 PolarHBondContact O-N 3.45Å; G156-E233 WeakPolarHBondContact CA-OE2 3.48Å; G156-E233 PolarHBondContact N-OE2 2.93Å
157A97.3Very high98.4Very high49 Ų4931.9 Ų31.941%0.40518%0.178SC..EExtended strand (participates in β ladder)trans-144.6165.6-179.100000111.9S153 R154 H159S153-A157 WeakPolarHBondContact CA-O 3.41Å; R154-A157 PolarHBondContact N-O 2.67Å; R154-A157 PolarHBondContact O-N 2.69Å; A157-H159 PolarHBondContact O-N 3.29Å; A157-H159 VanDerWaalsContact O-N 3.16Å
158V98.8Very high98.4Very high22 Ų2233.9 Ų33.913%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-64.8114.7169.7175.50000109.3L151 F161 N248 E249 C252L151-V158 HydrophobicContact CD1-CG2 4.39Å; L151-V158 HydrophobicContact CD2-CG2 4.23Å; V158-F161 HydrophobicContact CG1-CD1 3.88Å; V158-N248 HydrophobicContact CG2-CB 4.43Å; V158-E249 WeakPolarHBondContact CB-OE2 3.25Å; V158-E249 WeakPolarHBondContact CG2-OE2 3.38Å; V158-C252 HydrophobicContact CG2-CB 3.54Å
159H98.8Very high98.4Very high98 Ų9835.8 Ų35.845%0.45420%0.203SC..EExtended strand (participates in β ladder)trans-92.7-36.2179174.3-85.6000112.2L152 R154 A157L152-H159 HydrophobicContact CG-CB 4.48Å; L152-H159 PolarHBondContact O-N 2.99Å; R154-H159 HydrophobicContact CB-CB 3.69Å; A157-H159 PolarHBondContact O-N 3.29Å; A157-H159 VanDerWaalsContact O-N 3.16Å
160F98.9Very high98.4Very high35 Ų3539.2 Ų39.215%0.15423%0.23CC..EExtended strand (participates in β ladder)trans-150.4149179.2173.8-91.9000110.3F142 L151 L152 T162 Y223 I225F142-F160 HydrophobicContact CB-CD1 4.37Å; F142-F160 HydrophobicContact CB-CE1 3.55Å; F142-F160 HydrophobicContact CB-CZ 4.17Å; F142-F160 HydrophobicContact CD1-CD1 4.09Å; F142-F160 AromaticContact CD1-CE1 3.78Å; F142-F160 HydrophobicContact CD1-CE1 3.78Å; F142-F160 AromaticContact CD2-CD1 3.6Å; F142-F160 HydrophobicContact CD2-CD1 3.6Å; F142-F160 AromaticContact CD2-CE1 3.67Å; F142-F160 HydrophobicContact CD2-CE1 3.67Å; F142-F160 HydrophobicContact CE1-CD1 4.25Å; F142-F160 HydrophobicContact CE1-CE1 4.37Å; F142-F160 AromaticContact CE2-CD1 3.78Å; F142-F160 HydrophobicContact CE2-CD1 3.78Å; F142-F160 HydrophobicContact CE2-CE1 4.28Å; F142-F160 AromaticContact CG-CD1 3.76Å; F142-F160 HydrophobicContact CG-CD1 3.76Å; F142-F160 AromaticContact CG-CE1 3.38Å; F142-F160 HydrophobicContact CG-CE1 3.38Å; F142-F160 HydrophobicContact CG-CZ 4.43Å; F142-F160 HydrophobicContact CZ-CD1 4.1Å; L151-F160 CarbonylContact C-O 3.55Å; L151-F160 WeakPolarHBondContact CA-O 3.42Å; L151-F160 WeakPolarHBondContact CB-O 3.4Å; L152-F160 HydrophobicContact CB-CB 4.38Å; L152-F160 PolarHBondContact N-O 3.01Å; F160-T162 HydrophobicContact CE1-CG2 3.99Å; F160-T162 HydrophobicContact CZ-CG2 4.4Å; F160-Y223 AromaticContact CE2-CD1 3.83Å; F160-Y223 HydrophobicContact CE2-CD1 3.83Å; F160-Y223 HydrophobicContact CE2-CD2 4.12Å; F160-Y223 HydrophobicContact CE2-CE1 4.27Å; F160-Y223 AromaticContact CE2-CG 3.71Å; F160-Y223 HydrophobicContact CE2-CG 3.71Å; F160-Y223 HydrophobicContact CZ-CD1 4.1Å; F160-Y223 AromaticContact CZ-CD2 3.52Å; F160-Y223 HydrophobicContact CZ-CD2 3.52Å; F160-Y223 HydrophobicContact CZ-CE2 4.05Å; F160-Y223 AromaticContact CZ-CG 3.51Å; F160-Y223 HydrophobicContact CZ-CG 3.51Å; F160-I225 HydrophobicContact CB-CD1 3.53Å; F160-I225 HydrophobicContact CD1-CD1 3.6Å; F160-I225 HydrophobicContact CD2-CD1 3.86Å; F160-I225 HydrophobicContact CE1-CD1 4.31Å; F160-I225 HydrophobicContact CG-CD1 3.35Å
161F98.9Very high98.3Very high100 Ų10045.2 Ų45.244%0.43926%0.261SS..EExtended strand (participates in β ladder)trans-147.1151.3165.660.9-86.6000110.3G150 L151 V158 N248G150-F161 CarbonylContact O-C 3.49Å; G150-F161 WeakPolarHBondContact O-CA 3.44Å; L151-F161 HydrophobicContact CB-CB 3.79Å; V158-F161 HydrophobicContact CG1-CD1 3.88Å; F161-N248 WeakPolarHBondContact CD2-ND2 3.41Å; F161-N248 VanDerWaalsContact CG-ND2 3.32Å; F161-N248 WeakPolarHBondContact CG-ND2 3.48Å
162T98.9Very high98.3Very high0 Ų045.7 Ų45.70%026%0.264CS..PPolyproline II helixtrans-71.3147.8176.955.40000111.3V131 F142 N144 R149 G150 F160V131-T162 HydrophobicContact CG2-CG2 4.32Å; F142-T162 HydrophobicContact CB-CG2 4.08Å; F142-T162 HydrophobicContact CD1-CG2 3.92Å; F142-T162 HydrophobicContact CG-CG2 4.41Å; N144-T162 HydrophobicContact CB-CG2 3.88Å; R149-T162 WeakPolarHBondContact CA-OG1 3.47Å; R149-T162 WeakPolarHBondContact CG-O 3.48Å; R149-T162 WeakPolarHBondContact CG-OG1 3.25Å; G150-T162 PolarHBondContact N-OG1 2.93Å; G150-T162 PolarHBondContact O-N 3.38Å; G150-T162 PolarHBondContact O-OG1 3.27Å; F160-T162 HydrophobicContact CE1-CG2 3.99Å; F160-T162 HydrophobicContact CZ-CG2 4.4Å
163Q98.7Very high98.3Very high114 Ų11449.6 Ų49.653%0.53328%0.28SS..PPolyproline II helixtrans-87.1127.3174.2-172.7175.828.300111N144N144-Q163 PolarHBondContact ND2-O 3.32Å
164D98.8Very high98.3Very high25 Ų2554.4 Ų54.413%0.13430%0.303CS..PPolyproline II helixtrans-65.8135.3177-58.27.8000111.8D147 R149 K166 N169D147-D164 HydrophobicContact CB-CB 4.11Å; R149-D164 IonicContact CZ-OD1 3.19Å; R149-D164 IonicContact CZ-OD2 3.62Å; R149-D164 IonicContact NE-OD1 3.25Å; R149-D164 PolarHBondContact NE-OD1 3.37Å; R149-D164 IonicContact NE-OD2 3.55Å; R149-D164 IonicContact NH2-OD1 2.7Å; R149-D164 PolarHBondContact NH2-OD1 3.18Å; R149-D164 IonicContact NH2-OD2 3.54Å; R149-D164 PolarHBondContact NH2-OD2 3.19Å; D164-K166 HydrophobicContact CB-CG 4.16Å; D164-K166 PolarHBondContact O-N 2.79Å; D164-K166 VanDerWaalsContact O-N 3.12Å; D164-N169 PolarHBondContact O-ND2 3.35Å
165H98.8Very high98.4Very high7 Ų754 Ų543%0.03230%0.301CS..  trans-87.475178-65.6113000112.1N144 G146 S195 R196N144-H165 PolarHBondContact ND2-ND1 2.69Å; N144-H165 PolarHBondContact O-CE1 3.33Å; G146-H165 PolarHBondContact N-ND1 3.44Å; G146-H165 WeakPolarHBondContact O-CB 3.45Å; G146-H165 PolarHBondContact O-N 2.83Å; G146-H165 PolarHBondContact O-ND1 2.79Å; H165-S195 PolarHBondContact O-N 3.37Å; H165-S195 PolarHBondContact O-OG 2.94Å; H165-R196 HydrophobicContact CB-CB 3.92Å; H165-R196 HydrophobicContact CB-CG 3.84Å; H165-R196 PolarHBondContact CD2-NE 3.28Å; H165-R196 VanDerWaalsContact CD2-NE 3.35Å
166K98.6Very high98.5Very high50 Ų5050.9 Ų50.922%0.21727%0.27CS..  trans-87.4140.8177.3-58.9-66.1-175.2177.60111.9D147 D164 S168 N169D147-K166 HydrophobicContact CB-CD 4.01Å; D147-K166 VanDerWaalsContact CB-CE 3.47Å; D147-K166 VanDerWaalsContact CB-NZ 3.27Å; D147-K166 IonicContact OD2-NZ 3.84Å; D147-K166 PolarHBondContact OD2-NZ 2.95Å; D164-K166 HydrophobicContact CB-CG 4.16Å; D164-K166 PolarHBondContact O-N 2.79Å; D164-K166 VanDerWaalsContact O-N 3.12Å; K166-S168 PolarHBondContact O-N 3.17Å; K166-S168 VanDerWaalsContact O-N 3.08Å; K166-N169 PolarHBondContact N-ND2 2.99Å; K166-N169 VanDerWaalsContact O-CB 3.28Å; K166-N169 WeakPolarHBondContact O-CB 3.26Å; K166-N169 PolarHBondContact O-N 3.21Å
167P98.7Very high98.6Very high0 Ų054.4 Ų54.40%028%0.279CS..THydrogen-bonded Turntrans-54.7-27.3178.2-30.337.4000115.3N169 K173 I176 V183 Q186 V188 A193P167-N169 VanDerWaalsContact C-N 3.27Å; P167-N169 PolarHBondContact O-N 2.96Å; P167-K173 WeakPolarHBondContact O-CB 3.32Å; P167-I176 HydrophobicContact CB-CD1 4.02Å; P167-V183 HydrophobicContact CB-CG1 3.93Å; P167-V183 HydrophobicContact CB-CG2 4.2Å; P167-V183 WeakPolarHBondContact O-CG2 3.21Å; P167-Q186 WeakPolarHBondContact CD-O 3.3Å; P167-Q186 WeakPolarHBondContact CG-O 3.27Å; P167-V188 HydrophobicContact CB-CG2 4.04Å; P167-V188 HydrophobicContact CG-CG2 3.73Å; P167-A193 WeakPolarHBondContact CD-O 3.5Å
168S97.9Very high98.7Very high47 Ų4756.7 Ų56.733%0.32928%0.284SS..THydrogen-bonded Turntrans-74.2-14.3176.7650000114.6K166 Q186K166-S168 PolarHBondContact O-N 3.17Å; K166-S168 VanDerWaalsContact O-N 3.08Å; S168-Q186 PolarHBondContact OG-NE2 3.46Å; S168-Q186 PolarHBondContact OG-OE1 3.34Å
169N98.6Very high98.7Very high39 Ų3956 Ų5621%0.20928%0.281CS..SBendtrans-61.2140-178.7-69.3-3.4000109.8D164 K166 P167 L171 E172 K173D164-N169 PolarHBondContact O-ND2 3.35Å; K166-N169 PolarHBondContact N-ND2 2.99Å; K166-N169 VanDerWaalsContact O-CB 3.28Å; K166-N169 WeakPolarHBondContact O-CB 3.26Å; K166-N169 PolarHBondContact O-N 3.21Å; P167-N169 VanDerWaalsContact C-N 3.27Å; P167-N169 PolarHBondContact O-N 2.96Å; N169-L171 PolarHBondContact O-N 3.39Å; N169-E172 HydrophobicContact CB-CB 4.17Å; N169-E172 HydrophobicContact CB-CG 3.88Å; N169-E172 PolarHBondContact O-N 3.3Å; N169-E172 VanDerWaalsContact O-N 3.16Å; N169-K173 WeakPolarHBondContact O-CB 3.21Å; N169-K173 PolarHBondContact O-N 3Å
170P98.4Very high98.7Very high110 Ų11054.8 Ų54.871%0.71430%0.295SS*.Hα-helixtrans-53.6-49.1-169.1-30.136000114.8E174P170-E174 WeakPolarHBondContact O-CB 3.5Å; P170-E174 PolarHBondContact O-N 3.07Å
171L98.5Very high98.7Very high126 Ų12653.8 Ų53.866%0.6630%0.295SS*.Hα-helixtrans-72.1-35.2-178.8-61.3180000112.6N169 E174 R175N169-L171 PolarHBondContact O-N 3.39Å; L171-E174 PolarHBondContact O-N 2.82Å; L171-R175 PolarHBondContact O-N 3.28Å
172E98.9Very high98.6Very high10 Ų1050.9 Ų50.95%0.04729%0.287CS..Hα-helixtrans-66.9-45.7176.3-57.1-54.3111.900110.6N169 E174 R175 I176 S195 R196N169-E172 HydrophobicContact CB-CB 4.17Å; N169-E172 HydrophobicContact CB-CG 3.88Å; N169-E172 PolarHBondContact O-N 3.3Å; N169-E172 VanDerWaalsContact O-N 3.16Å; E172-E174 PolarHBondContact O-N 2.94Å; E172-R175 PolarHBondContact O-N 3.14Å; E172-R175 IonicContact OE2-CZ 2.7Å; E172-R175 IonicContact OE2-NH1 3.05Å; E172-R175 PolarHBondContact OE2-NH1 3.45Å; E172-R175 IonicContact OE2-NH2 2.81Å; E172-I176 WeakPolarHBondContact O-CB 3.31Å; E172-I176 WeakPolarHBondContact O-CD1 3.14Å; E172-I176 WeakPolarHBondContact O-CG1 3Å; E172-I176 PolarHBondContact O-N 2.9Å; E172-S195 VanDerWaalsContact CG-OG 3.31Å; E172-S195 WeakPolarHBondContact CG-OG 3.25Å; E172-S195 PolarHBondContact OE2-OG 3.05Å; E172-S195 VanDerWaalsContact OE2-OG 3.05Å; E172-R196 IonicContact OE1-CZ 2.69Å; E172-R196 IonicContact OE1-NE 2.79Å; E172-R196 PolarHBondContact OE1-NE 2.84Å; E172-R196 IonicContact OE1-NH2 3.57Å; E172-R196 PolarHBondContact OE1-NH2 3.07Å; E172-R196 VanDerWaalsContact OE2-CG 3.25Å; E172-R196 WeakPolarHBondContact OE2-CG 3.33Å; E172-R196 IonicContact OE2-CZ 2.69Å; E172-R196 IonicContact OE2-NE 3.44Å; E172-R196 PolarHBondContact OE2-NE 3.05Å; E172-R196 IonicContact OE2-NH2 3.63Å
173K98.8Very high98.6Very high81 Ų8152.1 Ų52.135%0.35229%0.294SS..Hα-helixtrans-60.7-44.1175.5-178.1171.2-179.8178.20111.7P167 N169 I176 Q177 V183P167-K173 WeakPolarHBondContact O-CB 3.32Å; N169-K173 WeakPolarHBondContact O-CB 3.21Å; N169-K173 PolarHBondContact O-N 3Å; K173-I176 PolarHBondContact O-N 2.9Å; K173-Q177 HydrophobicContact CG-CG 4.44Å; K173-Q177 WeakPolarHBondContact O-CB 3.12Å; K173-Q177 VanDerWaalsContact O-CG 3.26Å; K173-Q177 WeakPolarHBondContact O-CG 3.47Å; K173-Q177 PolarHBondContact O-N 3.22Å; K173-V183 HydrophobicContact CB-CG2 4.2Å; K173-V183 HydrophobicContact CG-CB 4.35Å; K173-V183 HydrophobicContact CG-CG2 3.86Å
174E98.8Very high98.5Very high101 Ų10151.7 Ų51.747%0.47229%0.294SS..Hα-helixtrans-59.2-49176178.3176.4-172.100111.1P170 L171 E172 I176 Q177 N178P170-E174 WeakPolarHBondContact O-CB 3.5Å; P170-E174 PolarHBondContact O-N 3.07Å; L171-E174 PolarHBondContact O-N 2.82Å; E172-E174 PolarHBondContact O-N 2.94Å; E174-I176 PolarHBondContact O-N 3.07Å; E174-Q177 PolarHBondContact O-N 2.88Å; E174-N178 WeakPolarHBondContact CG-ND2 3.26Å; E174-N178 VanDerWaalsContact O-CB 3.31Å; E174-N178 WeakPolarHBondContact O-CB 3.44Å; E174-N178 VanDerWaalsContact O-CG 3.24Å; E174-N178 PolarHBondContact O-N 2.81Å; E174-N178 PolarHBondContact O-ND2 2.68Å
175R98.8Very high98.3Very high28 Ų2858.3 Ų58.311%0.10633%0.327CS..Hα-helixtrans-56.8-49.2175.3-174.7-155.665.6-135.3-4.6111.4L171 E172 Q177 N178 A179 S195 T212 Q214 L215 S217L171-R175 PolarHBondContact O-N 3.28Å; E172-R175 PolarHBondContact O-N 3.14Å; E172-R175 IonicContact OE2-CZ 2.7Å; E172-R175 IonicContact OE2-NH1 3.05Å; E172-R175 PolarHBondContact OE2-NH1 3.45Å; E172-R175 IonicContact OE2-NH2 2.81Å; R175-Q177 VanDerWaalsContact C-N 3.33Å; R175-Q177 PolarHBondContact O-N 2.86Å; R175-N178 PolarHBondContact O-N 3.38Å; R175-A179 WeakPolarHBondContact O-CB 3.25Å; R175-A179 PolarHBondContact O-N 2.7Å; R175-S195 PolarHBondContact NH1-O 3.41Å; R175-S195 PolarHBondContact NH2-O 3.33Å; R175-T212 WeakPolarHBondContact CD-O 3.31Å; R175-Q214 WeakPolarHBondContact CD-O 3.25Å; R175-Q214 PolarHBondContact NE-O 3.28Å; R175-L215 PolarHBondContact NH2-O 3.02Å; R175-S217 VanDerWaalsContact NH1-CB 3.3Å
176I98.9Very high98.1Very high0 Ų062.3 Ų62.30%035%0.346CS..Hα-helixtrans-57.3-45.6179.6-70.3158.4000111.2P167 E172 K173 E174 A179 G180 G181 V183 V188 L215P167-I176 HydrophobicContact CB-CD1 4.02Å; E172-I176 WeakPolarHBondContact O-CB 3.31Å; E172-I176 WeakPolarHBondContact O-CD1 3.14Å; E172-I176 WeakPolarHBondContact O-CG1 3Å; E172-I176 PolarHBondContact O-N 2.9Å; K173-I176 PolarHBondContact O-N 2.9Å; E174-I176 PolarHBondContact O-N 3.07Å; I176-A179 PolarHBondContact O-N 2.84Å; I176-G180 PolarHBondContact O-N 3.01Å; I176-G181 WeakPolarHBondContact O-CA 3.45Å; I176-G181 PolarHBondContact O-N 3.33Å; I176-V183 HydrophobicContact CB-CG2 4.3Å; I176-V183 HydrophobicContact CD1-CG2 3.8Å; I176-V183 HydrophobicContact CG2-CG2 4.01Å; I176-V188 HydrophobicContact CD1-CG2 3.78Å; I176-V188 HydrophobicContact CG1-CG2 4.42Å; I176-V188 HydrophobicContact CG2-CG1 4.17Å; I176-L215 WeakPolarHBondContact CG1-O 3.31Å; I176-L215 HydrophobicContact CG2-CD2 4.22Å
177Q98.6Very high98.1Very high101 Ų10165.6 Ų65.647%0.47236%0.357SS..Hα-helixtrans-67.3-42.4178.8-71.8175.4-28.600111.9K173 E174 R175 A179 G180K173-Q177 HydrophobicContact CG-CG 4.44Å; K173-Q177 WeakPolarHBondContact O-CB 3.12Å; K173-Q177 VanDerWaalsContact O-CG 3.26Å; K173-Q177 WeakPolarHBondContact O-CG 3.47Å; K173-Q177 PolarHBondContact O-N 3.22Å; E174-Q177 PolarHBondContact O-N 2.88Å; R175-Q177 VanDerWaalsContact C-N 3.33Å; R175-Q177 PolarHBondContact O-N 2.86Å; Q177-A179 PolarHBondContact O-N 2.92Å; Q177-G180 PolarHBondContact O-N 2.95Å
178N98.7Very high98Very high96 Ų9665.6 Ų65.651%0.51336%0.357SS..Hα-helixtrans-65.7-24.3176.5-74.1-22.5000112.9E174 R175 G180 K209E174-N178 WeakPolarHBondContact CG-ND2 3.26Å; E174-N178 VanDerWaalsContact O-CB 3.31Å; E174-N178 WeakPolarHBondContact O-CB 3.44Å; E174-N178 VanDerWaalsContact O-CG 3.24Å; E174-N178 PolarHBondContact O-N 2.81Å; E174-N178 PolarHBondContact O-ND2 2.68Å; R175-N178 PolarHBondContact O-N 3.38Å; N178-G180 VanDerWaalsContact C-N 3.27Å; N178-K209 WeakPolarHBondContact O-CE 3.39Å; N178-K209 PolarHBondContact O-NZ 3.19Å
179A98.7Very high98Very high7 Ų766.3 Ų66.36%0.05836%0.357CS..THydrogen-bonded Turntrans-855.9171.800000113.2R175 I176 Q177 V206 E213 L215R175-A179 WeakPolarHBondContact O-CB 3.25Å; R175-A179 PolarHBondContact O-N 2.7Å; I176-A179 PolarHBondContact O-N 2.84Å; Q177-A179 PolarHBondContact O-N 2.92Å; A179-V206 HydrophobicContact CB-CG2 4.28Å; A179-V206 WeakPolarHBondContact O-CG1 3.47Å; A179-E213 WeakPolarHBondContact CB-O 3.46Å; A179-L215 HydrophobicContact CB-CD2 3.86Å; A179-L215 HydrophobicContact CB-CG 4.28Å
180G98.6Very high97.9Very high73 Ų7366.1 Ų66.175%0.75337%0.365SS*.THydrogen-bonded Turntrans84.2817700000114.9I176 Q177 N178I176-G180 PolarHBondContact O-N 3.01Å; Q177-G180 PolarHBondContact O-N 2.95Å; N178-G180 VanDerWaalsContact C-N 3.27Å
181G98.4Very high97.8Very high15 Ų1564.2 Ų64.216%0.15535%0.354CS..  trans-93-170.9175.800000113.8I176 N189I176-G181 WeakPolarHBondContact O-CA 3.45Å; I176-G181 PolarHBondContact O-N 3.33Å; G181-N189 WeakPolarHBondContact CA-OD1 3.42Å
182S98.1Very high97.6Very high38 Ų3859.3 Ų59.327%0.26633%0.328SS..  trans-141.3158.8176.863.10000110.9M184 N189S182-M184 WeakPolarHBondContact OG-CE 3.47Å; S182-N189 PolarHBondContact N-OD1 3.05Å; S182-N189 PolarHBondContact O-N 3.46Å; S182-N189 PolarHBondContact O-OD1 3.15Å; S182-N189 PolarHBondContact OG-OD1 3.26Å
183V98.4Very high97.5Very high26 Ų2660.3 Ų60.316%0.15834%0.338CS..EExtended strand (participates in β ladder)trans-110.7110.6170.8179.80000107.5P167 K173 I176 R187P167-V183 HydrophobicContact CB-CG1 3.93Å; P167-V183 HydrophobicContact CB-CG2 4.2Å; P167-V183 WeakPolarHBondContact O-CG2 3.21Å; K173-V183 HydrophobicContact CB-CG2 4.2Å; K173-V183 HydrophobicContact CG-CB 4.35Å; K173-V183 HydrophobicContact CG-CG2 3.86Å; I176-V183 HydrophobicContact CB-CG2 4.3Å; I176-V183 HydrophobicContact CD1-CG2 3.8Å; I176-V183 HydrophobicContact CG2-CG2 4.01Å; V183-R187 WeakPolarHBondContact CA-O 3.25Å
184M96.4Very high97.5Very high106 Ų10656.8 Ų56.852%0.52232%0.324SS..EExtended strand (participates in β ladder)trans-104.3113.8177.9-59.2-175.3-172.300108.2S182 Q186 R187S182-M184 WeakPolarHBondContact OG-CE 3.47Å; M184-Q186 PolarHBondContact O-N 3.41Å; M184-R187 PolarHBondContact N-O 3.06Å; M184-R187 PolarHBondContact O-N 2.88Å
185I94.1Very high97.5Very high163 Ų16352 Ų5284%0.83630%0.301SS*.THydrogen-bonded Turntrans59.3-98.6-169.6-51.1173.6000109.6
186Q95.2Very high97.5Very high92 Ų9252.4 Ų52.443%0.4330%0.303SS..THydrogen-bonded Turntrans-125.815.8-177.7-70.8-65.5-5.800111.9P167 S168 M184P167-Q186 WeakPolarHBondContact CD-O 3.3Å; P167-Q186 WeakPolarHBondContact CG-O 3.27Å; S168-Q186 PolarHBondContact OG-NE2 3.46Å; S168-Q186 PolarHBondContact OG-OE1 3.34Å; M184-Q186 PolarHBondContact O-N 3.41Å
187R98.3Very high97.5Very high118 Ų11852.4 Ų52.445%0.44530%0.303SS..EExtended strand (participates in β ladder)trans-126.5138.6-170.2-64.8177.2178.4-86.3-7112.9V183 M184 N189 G190 S191 L192 A193V183-R187 WeakPolarHBondContact CA-O 3.25Å; M184-R187 PolarHBondContact N-O 3.06Å; M184-R187 PolarHBondContact O-N 2.88Å; R187-N189 PolarHBondContact O-N 2.92Å; R187-G190 WeakPolarHBondContact CD-O 3.48Å; R187-G190 PolarHBondContact O-N 2.88Å; R187-S191 WeakPolarHBondContact CD-O 3.43Å; R187-S191 PolarHBondContact NH1-O 3.41Å; R187-L192 CarbonylContact C-O 3.5Å; R187-L192 WeakPolarHBondContact CA-O 3.18Å; R187-L192 WeakPolarHBondContact CB-O 3.19Å; R187-A193 HydrophobicContact CG-CB 4.31Å
188V97.6Very high97.5Very high0 Ų047.6 Ų47.60%028%0.28CS..EExtended strand (participates in β ladder)trans-64.1117.1170.5-172.10000108.6P167 I176 G190 S191 L192 Y203 L215P167-V188 HydrophobicContact CB-CG2 4.04Å; P167-V188 HydrophobicContact CG-CG2 3.73Å; I176-V188 HydrophobicContact CD1-CG2 3.78Å; I176-V188 HydrophobicContact CG1-CG2 4.42Å; I176-V188 HydrophobicContact CG2-CG1 4.17Å; V188-G190 PolarHBondContact O-N 2.83Å; V188-S191 PolarHBondContact O-N 2.92Å; V188-L192 HydrophobicContact CB-CB 4.34Å; V188-L192 PolarHBondContact N-O 3.25Å; V188-L192 PolarHBondContact O-N 2.81Å; V188-Y203 HydrophobicContact CB-CE1 4.42Å; V188-Y203 HydrophobicContact CG1-CD1 4.04Å; V188-Y203 HydrophobicContact CG1-CE1 4.13Å; V188-L215 HydrophobicContact CG1-CB 4.12Å
189N97.6Very high97.5Very high63 Ų6343 Ų4334%0.33726%0.256SS..THydrogen-bonded Turntrans51.327.5-175.4-62.7-26.9000114.1G181 S182 R187 S191G181-N189 WeakPolarHBondContact CA-OD1 3.42Å; S182-N189 PolarHBondContact N-OD1 3.05Å; S182-N189 PolarHBondContact O-N 3.46Å; S182-N189 PolarHBondContact O-OD1 3.15Å; S182-N189 PolarHBondContact OG-OD1 3.26Å; R187-N189 PolarHBondContact O-N 2.92Å; N189-S191 VanDerWaalsContact C-N 3.26Å; N189-S191 PolarHBondContact O-N 3.25Å
190G96.3Very high97.5Very high35 Ų3543.1 Ų43.136%0.36126%0.255SS..THydrogen-bonded Turntrans79.2-0.1-177.400000115.3R187 V188R187-G190 WeakPolarHBondContact CD-O 3.48Å; R187-G190 PolarHBondContact O-N 2.88Å; V188-G190 PolarHBondContact O-N 2.83Å
191S96.1Very high97.4Very high70 Ų7041.2 Ų41.249%0.4923%0.226SC..THydrogen-bonded Turntrans-107.1-66.9-173.6-61.50000112.9R187 V188 N189 Y203R187-S191 WeakPolarHBondContact CD-O 3.43Å; R187-S191 PolarHBondContact NH1-O 3.41Å; V188-S191 PolarHBondContact O-N 2.92Å; N189-S191 VanDerWaalsContact C-N 3.26Å; N189-S191 PolarHBondContact O-N 3.25Å; S191-Y203 WeakPolarHBondContact CB-OH 3.36Å
192L94.7Very high97.3Very high22 Ų2245 Ų4512%0.11524%0.243CC..BIsolated β-bridgetrans-91.6128-168.2-168.267.3000111.9R187 V188 V194 Y203 V216R187-L192 CarbonylContact C-O 3.5Å; R187-L192 WeakPolarHBondContact CA-O 3.18Å; R187-L192 WeakPolarHBondContact CB-O 3.19Å; V188-L192 HydrophobicContact CB-CB 4.34Å; V188-L192 PolarHBondContact N-O 3.25Å; V188-L192 PolarHBondContact O-N 2.81Å; L192-V194 HydrophobicContact CD1-CG2 4.02Å; L192-V194 HydrophobicContact CD2-CG2 3.83Å; L192-V194 HydrophobicContact CG-CG2 3.71Å; L192-Y203 HydrophobicContact CB-CE1 4.36Å; L192-Y203 HydrophobicContact CD2-CD2 4.45Å; L192-Y203 HydrophobicContact CD2-CE2 4.41Å; L192-V216 HydrophobicContact CD2-CG2 3.47Å; L192-V216 VanDerWaalsContact CD2-CG2 3.47Å
193A97.1Very high97.3Very high32 Ų3245.3 Ų45.326%0.26424%0.238SC..SBendtrans-84.2-9.1-176.200000114.4P167 R187P167-A193 WeakPolarHBondContact CD-O 3.5Å; R187-A193 HydrophobicContact CG-CB 4.31Å
194V97.9Very high97.3Very high7 Ų744.1 Ų44.14%0.04223%0.231CC..  trans-104.7148174-65.90000111T129 D147 L192 A197T129-V194 HydrophobicContact CG2-CG1 4.33Å; D147-V194 HydrophobicContact CB-CG1 4.34Å; D147-V194 WeakPolarHBondContact OD1-CG1 3.31Å; D147-V194 VanDerWaalsContact OD2-CG1 3.31Å; D147-V194 WeakPolarHBondContact OD2-CG1 3.45Å; L192-V194 HydrophobicContact CD1-CG2 4.02Å; L192-V194 HydrophobicContact CD2-CG2 3.83Å; L192-V194 HydrophobicContact CG-CG2 3.71Å; V194-A197 HydrophobicContact CG2-CB 4.27Å
195S98.8Very high97.4Very high0 Ų043 Ų430%023%0.233CC..SBendtrans-100.7-17.217464.20000113.1H165 E172 R175 V216 S217H165-S195 PolarHBondContact O-N 3.37Å; H165-S195 PolarHBondContact O-OG 2.94Å; E172-S195 VanDerWaalsContact CG-OG 3.31Å; E172-S195 WeakPolarHBondContact CG-OG 3.25Å; E172-S195 PolarHBondContact OE2-OG 3.05Å; E172-S195 VanDerWaalsContact OE2-OG 3.05Å; R175-S195 PolarHBondContact NH1-O 3.41Å; R175-S195 PolarHBondContact NH2-O 3.33Å; S195-V216 WeakPolarHBondContact O-CA 3.13Å; S195-S217 PolarHBondContact O-N 3.35Å
196R98.9Very high97.6Very high37 Ų3737 Ų3714%0.1420%0.204CC..BIsolated β-bridgetrans-132138175.7-58.8-161.4-168.5177.911.7110.1G146 H165 E172 S217 E219G146-R196 WeakPolarHBondContact CA-O 3.15Å; H165-R196 HydrophobicContact CB-CB 3.92Å; H165-R196 HydrophobicContact CB-CG 3.84Å; H165-R196 PolarHBondContact CD2-NE 3.28Å; H165-R196 VanDerWaalsContact CD2-NE 3.35Å; E172-R196 IonicContact OE1-CZ 2.69Å; E172-R196 IonicContact OE1-NE 2.79Å; E172-R196 PolarHBondContact OE1-NE 2.84Å; E172-R196 IonicContact OE1-NH2 3.57Å; E172-R196 PolarHBondContact OE1-NH2 3.07Å; E172-R196 VanDerWaalsContact OE2-CG 3.25Å; E172-R196 WeakPolarHBondContact OE2-CG 3.33Å; E172-R196 IonicContact OE2-CZ 2.69Å; E172-R196 IonicContact OE2-NE 3.44Å; E172-R196 PolarHBondContact OE2-NE 3.05Å; E172-R196 IonicContact OE2-NH2 3.63Å; R196-S217 CarbonylContact C-O 3.55Å; R196-S217 WeakPolarHBondContact CA-O 3.41Å; R196-S217 VanDerWaalsContact CB-O 3.26Å; R196-S217 WeakPolarHBondContact CB-O 3.44Å; R196-E219 VanDerWaalsContact CD-O 3.29Å; R196-E219 WeakPolarHBondContact CD-O 3.3Å; R196-E219 PolarHBondContact NH1-O 3.27Å
197A98.9Very high97.7Very high0 Ų041.6 Ų41.60%023%0.225CC..  trans-169.5154.7179.200000110.1S128 V194 D200 K204 V216 S217S128-A197 WeakPolarHBondContact O-CA 3.41Å; S128-A197 WeakPolarHBondContact O-CB 3.5Å; V194-A197 HydrophobicContact CG2-CB 4.27Å; A197-D200 VanDerWaalsContact CB-OD2 3.25Å; A197-D200 WeakPolarHBondContact CB-OD2 3.25Å; A197-K204 PolarHBondContact O-NZ 3.34Å; A197-V216 HydrophobicContact CB-CG1 3.98Å; A197-S217 PolarHBondContact N-O 2.87Å
198L98.9Very high97.7Very high0 Ų040 Ų400%025%0.245CC..EExtended strand (participates in β ladder)trans-79.1151.9159.9-66.1170.8000109.1V67 C71 F106 I109 D110 M113 G127 S128 P218V67-L198 HydrophobicContact CG1-CB 3.97Å; C71-L198 HydrophobicContact CB-CD1 4.46Å; C71-L198 WeakPolarHBondContact SG-CD1 3.29Å; F106-L198 HydrophobicContact CD1-CD1 4.06Å; F106-L198 HydrophobicContact CD1-CD2 4.01Å; F106-L198 HydrophobicContact CD1-CG 4.16Å; F106-L198 HydrophobicContact CE1-CD1 4.12Å; F106-L198 HydrophobicContact CE1-CG 4.48Å; F106-L198 WeakPolarHBondContact O-CD2 2.99Å; I109-L198 HydrophobicContact CG2-CD1 4.1Å; I109-L198 HydrophobicContact CG2-CD2 3.94Å; D110-L198 HydrophobicContact CB-CD2 3.78Å; D110-L198 WeakPolarHBondContact OD1-CA 3.3Å; M113-L198 HydrophobicContact CE-CB 4.03Å; G127-L198 CarbonylContact C-O 3.56Å; G127-L198 WeakPolarHBondContact CA-O 3.2Å; S128-L198 PolarHBondContact N-O 2.95Å; S128-L198 PolarHBondContact O-N 3.24Å; L198-P218 HydrophobicContact CD2-CB 3.99Å
199G98.5Very high97.7Very high0 Ų043.3 Ų43.30%026%0.259CS..EExtended strand (participates in β ladder)trans79.8-138.4-174.100000112.6D110 F201 K204D110-G199 PolarHBondContact OD1-N 3.31Å; G199-F201 PolarHBondContact O-N 3.3Å; G199-F201 VanDerWaalsContact O-N 3.17Å; G199-K204 WeakPolarHBondContact O-CD 3.48Å; G199-K204 WeakPolarHBondContact O-CE 3.21Å; G199-K204 PolarHBondContact O-NZ 3.45Å
200D98.1Very high97.8Very high8 Ų841.5 Ų41.54%0.04326%0.256CS..  trans50.840.5178.8-68.4-50.3000113.7H62 S126 A197 D202 Y203 V216H62-D200 IonicContact CD2-OD1 3.19Å; H62-D200 IonicContact CE1-OD2 3.07Å; H62-D200 PolarHBondContact CE1-OD2 3.28Å; H62-D200 VanDerWaalsContact CE1-OD2 3.25Å; H62-D200 IonicContact NE2-OD1 3.97Å; H62-D200 PolarHBondContact NE2-OD1 3.2Å; H62-D200 IonicContact NE2-OD2 3.09Å; H62-D200 PolarHBondContact NE2-OD2 2.92Å; S126-D200 PolarHBondContact O-N 3.4Å; S126-D200 VanDerWaalsContact O-N 3.16Å; A197-D200 VanDerWaalsContact CB-OD2 3.25Å; A197-D200 WeakPolarHBondContact CB-OD2 3.25Å; D200-D202 PolarHBondContact O-N 3.39Å; D200-D202 VanDerWaalsContact O-N 3.07Å; D200-Y203 HydrophobicContact CB-CD2 4.11Å; D200-Y203 WeakPolarHBondContact O-CB 3.32Å; D200-Y203 PolarHBondContact O-N 3.33Å; D200-V216 HydrophobicContact CB-CG1 4.34Å
201F97.6Very high97.9Very high34 Ų3443.8 Ų43.815%0.14926%0.264CS..G310 helixtrans-61.8-26.6-167-59.2-54.1000114D110 M113 R114 G199 Y203 K204 C205D110-F201 WeakPolarHBondContact O-CE1 3.44Å; D110-F201 WeakPolarHBondContact O-CZ 3.47Å; M113-F201 HydrophobicContact CB-CE2 4.3Å; M113-F201 HydrophobicContact CB-CZ 3.76Å; R114-F201 HydrophobicContact CB-CD1 3.91Å; R114-F201 HydrophobicContact CB-CD2 4.49Å; R114-F201 HydrophobicContact CB-CE1 3.66Å; R114-F201 HydrophobicContact CB-CE2 4.26Å; R114-F201 HydrophobicContact CB-CG 4.33Å; R114-F201 HydrophobicContact CB-CZ 3.85Å; R114-F201 HydrophobicContact CG-CD1 4.09Å; R114-F201 HydrophobicContact CG-CE1 4.36Å; R114-F201 HydrophobicContact CG-CG 4.25Å; R114-F201 VanDerWaalsContact N-CZ 3.28Å; G199-F201 PolarHBondContact O-N 3.3Å; G199-F201 VanDerWaalsContact O-N 3.17Å; F201-Y203 PolarHBondContact O-N 2.8Å; F201-Y203 VanDerWaalsContact O-N 3.17Å; F201-K204 HydrophobicContact CD1-CD 4.36Å; F201-K204 CarbonylContact O-C 3.52Å; F201-K204 WeakPolarHBondContact O-CA 3.36Å; F201-K204 PolarHBondContact O-N 2.66Å; F201-C205 PolarHBondContact O-SG 2.93Å
202D96.5Very high98Very high93 Ų9342 Ų4250%0.49725%0.25SC..G310 helixtrans-56.6-28.8172.1-75.4-10.6000112.7R125 D200 K204R125-D202 WeakPolarHBondContact CD-OD2 3.36Å; R125-D202 IonicContact CZ-OD2 3.56Å; R125-D202 IonicContact NE-OD2 3.82Å; R125-D202 IonicContact NH1-OD2 3.88Å; R125-D202 PolarHBondContact NH1-OD2 3.45Å; D200-D202 PolarHBondContact O-N 3.39Å; D200-D202 VanDerWaalsContact O-N 3.07Å; D202-K204 VanDerWaalsContact C-N 3.32Å
203Y98.4Very high98.2Very high45 Ų4545.4 Ų45.418%0.17627%0.266CS..G310 helixtrans-88.91.1177.5-66.5-92.2000113.1V188 S191 L192 D200 F201 L215 V216V188-Y203 HydrophobicContact CB-CE1 4.42Å; V188-Y203 HydrophobicContact CG1-CD1 4.04Å; V188-Y203 HydrophobicContact CG1-CE1 4.13Å; S191-Y203 WeakPolarHBondContact CB-OH 3.36Å; L192-Y203 HydrophobicContact CB-CE1 4.36Å; L192-Y203 HydrophobicContact CD2-CD2 4.45Å; L192-Y203 HydrophobicContact CD2-CE2 4.41Å; D200-Y203 HydrophobicContact CB-CD2 4.11Å; D200-Y203 WeakPolarHBondContact O-CB 3.32Å; D200-Y203 PolarHBondContact O-N 3.33Å; F201-Y203 PolarHBondContact O-N 2.8Å; F201-Y203 VanDerWaalsContact O-N 3.17Å; Y203-L215 HydrophobicContact CD1-CB 4.19Å; Y203-L215 HydrophobicContact CD1-CD1 4.18Å; Y203-L215 VanDerWaalsContact O-CB 3.32Å; Y203-L215 WeakPolarHBondContact O-CB 3.39Å; Y203-L215 PolarHBondContact O-N 3.23Å; Y203-L215 VanDerWaalsContact O-N 3.14Å; Y203-V216 HydrophobicContact CD1-CG2 4.13Å; Y203-V216 HydrophobicContact CD2-CG2 4.5Å; Y203-V216 HydrophobicContact CG-CG2 3.82Å
204K98.4Very high98.3Very high2 Ų244.4 Ų44.41%0.00926%0.255CS..SBendtrans-123.731.3-173.2-57.3178.3177.6169.30113.2D110 R114 A197 G199 F201 D202 Q214 V216D110-K204 IonicContact OD1-NZ 3.41Å; D110-K204 PolarHBondContact OD1-NZ 2.95Å; D110-K204 WeakPolarHBondContact OD2-CD 3.27Å; D110-K204 IonicContact OD2-NZ 2.86Å; D110-K204 PolarHBondContact OD2-NZ 3.37Å; R114-K204 PolarHBondContact NH1-O 2.89Å; A197-K204 PolarHBondContact O-NZ 3.34Å; G199-K204 WeakPolarHBondContact O-CD 3.48Å; G199-K204 WeakPolarHBondContact O-CE 3.21Å; G199-K204 PolarHBondContact O-NZ 3.45Å; F201-K204 HydrophobicContact CD1-CD 4.36Å; F201-K204 CarbonylContact O-C 3.52Å; F201-K204 WeakPolarHBondContact O-CA 3.36Å; F201-K204 PolarHBondContact O-N 2.66Å; D202-K204 VanDerWaalsContact C-N 3.32Å; K204-Q214 VanDerWaalsContact CA-OE1 3.3Å; K204-Q214 HydrophobicContact CB-CB 4.24Å; K204-Q214 HydrophobicContact CB-CG 4Å; K204-Q214 HydrophobicContact CG-CB 4.12Å; K204-Q214 HydrophobicContact CG-CG 4.32Å; K204-Q214 PolarHBondContact O-OE1 2.96Å; K204-V216 VanDerWaalsContact CE-O 3.3Å; K204-V216 WeakPolarHBondContact CE-O 3.11Å; K204-V216 WeakPolarHBondContact CG-O 3.24Å
205C97.6Very high98.3Very high82 Ų8245 Ų4555%0.55426%0.258SS*.  trans-112.517.4-179.4-62.50000114F201 H207F201-C205 PolarHBondContact O-SG 2.93Å; C205-H207 PolarHBondContact O-N 2.75Å
206V98.4Very high98.3Very high38 Ų3845 Ų4523%0.2326%0.258CS..  trans-74.7111.9-179.1-1760000109.8A179 K209 Q214 L215A179-V206 HydrophobicContact CB-CG2 4.28Å; A179-V206 WeakPolarHBondContact O-CG1 3.47Å; V206-K209 HydrophobicContact CB-CB 4.33Å; V206-K209 HydrophobicContact CB-CG 4.23Å; V206-K209 HydrophobicContact CG1-CB 4.3Å; V206-K209 HydrophobicContact CG1-CG 3.69Å; V206-K209 PolarHBondContact O-N 3.31Å; V206-Q214 PolarHBondContact O-NE2 2.99Å; V206-L215 HydrophobicContact CG2-CD1 4.45Å; V206-L215 HydrophobicContact CG2-CG 4.1Å
207H97.8Very high98.3Very high187 Ų18743.2 Ų43.287%0.86625%0.252SS*.THydrogen-bonded Turntrans-61.6138.5177.7-68.1-64.4000111.9C205 K209C205-H207 PolarHBondContact O-N 2.75Å; H207-K209 VanDerWaalsContact C-N 3.29Å
208G97.8Very high98.3Very high84 Ų8443.3 Ų43.387%0.86625%0.252SS*.THydrogen-bonded Turntrans79.28179.300000114.8
209K98.4Very high98.3Very high71 Ų7145.6 Ų45.631%0.30926%0.263SS..  trans-113.7139.9173.5-67.4-59.3-170.2174.20110.7N178 V206 H207 E213 Q214N178-K209 WeakPolarHBondContact O-CE 3.39Å; N178-K209 PolarHBondContact O-NZ 3.19Å; V206-K209 HydrophobicContact CB-CB 4.33Å; V206-K209 HydrophobicContact CB-CG 4.23Å; V206-K209 HydrophobicContact CG1-CB 4.3Å; V206-K209 HydrophobicContact CG1-CG 3.69Å; V206-K209 PolarHBondContact O-N 3.31Å; H207-K209 VanDerWaalsContact C-N 3.29Å; K209-E213 HydrophobicContact CB-CB 4.03Å; K209-E213 HydrophobicContact CD-CB 4.01Å; K209-E213 HydrophobicContact CG-CB 4.48Å; K209-Q214 PolarHBondContact O-NE2 2.7Å
210G98.4Very high98.3Very high25 Ų2546 Ų4626%0.25827%0.265SS..  trans-67.4172.8171.500000112.5T212 E213 Q214G210-T212 PolarHBondContact O-N 2.68Å; G210-E213 PolarHBondContact N-OE2 2.97Å; G210-E213 PolarHBondContact O-N 3.05Å; G210-E213 VanDerWaalsContact O-N 3.14Å; G210-Q214 WeakPolarHBondContact O-CG 3.43Å; G210-Q214 PolarHBondContact O-NE2 2.75Å
211P98.4Very high98.4Very high82 Ų8248.2 Ų48.253%0.53228%0.276SS..G310 helixtrans-58.3-33.1-178-26.535.4000114.4Q214 P218P211-Q214 WeakPolarHBondContact O-CG 3.39Å; P211-P218 WeakPolarHBondContact O-CD 3.19Å
212T98.8Very high98.4Very high32 Ų3247.7 Ų47.720%0.19628%0.275CS..G310 helixtrans-93.2-1.9-177.466.20000113.3L107 R175 G210 E219L107-T212 HydrophobicContact CD1-CG2 4.39Å; L107-T212 HydrophobicContact CD2-CG2 3.81Å; R175-T212 WeakPolarHBondContact CD-O 3.31Å; G210-T212 PolarHBondContact O-N 2.68Å; T212-E219 HydrophobicContact CG2-CB 3.74Å; T212-E219 HydrophobicContact CG2-CG 4.16Å
213E98.8Very high98.5Very high95 Ų9546.6 Ų46.644%0.44426%0.264SS..G310 helixtrans-107.214-179.7-54.6179119.700112.2A179 K209 G210A179-E213 WeakPolarHBondContact CB-O 3.46Å; K209-E213 HydrophobicContact CB-CB 4.03Å; K209-E213 HydrophobicContact CD-CB 4.01Å; K209-E213 HydrophobicContact CG-CB 4.48Å; G210-E213 PolarHBondContact N-OE2 2.97Å; G210-E213 PolarHBondContact O-N 3.05Å; G210-E213 VanDerWaalsContact O-N 3.14Å
214Q98.8Very high98.5Very high10 Ų1046 Ų465%0.04727%0.269CS..SBendtrans-77.6178.4179.4-63.7-60-4200112R175 K204 V206 K209 G210 P211 V216R175-Q214 WeakPolarHBondContact CD-O 3.25Å; R175-Q214 PolarHBondContact NE-O 3.28Å; K204-Q214 VanDerWaalsContact CA-OE1 3.3Å; K204-Q214 HydrophobicContact CB-CB 4.24Å; K204-Q214 HydrophobicContact CB-CG 4Å; K204-Q214 HydrophobicContact CG-CB 4.12Å; K204-Q214 HydrophobicContact CG-CG 4.32Å; K204-Q214 PolarHBondContact O-OE1 2.96Å; V206-Q214 PolarHBondContact O-NE2 2.99Å; K209-Q214 PolarHBondContact O-NE2 2.7Å; G210-Q214 WeakPolarHBondContact O-CG 3.43Å; G210-Q214 PolarHBondContact O-NE2 2.75Å; P211-Q214 WeakPolarHBondContact O-CG 3.39Å; Q214-V216 VanDerWaalsContact C-N 3.28Å; Q214-V216 WeakPolarHBondContact CB-O 3.41Å; Q214-V216 PolarHBondContact O-N 2.95Å
215L98.8Very high98.5Very high19 Ų1946.9 Ų46.910%0.09927%0.273CS..SBendtrans-64.1-37.1174.2-62.5169.8000111.3R175 I176 A179 V188 Y203 V206R175-L215 PolarHBondContact NH2-O 3.02Å; I176-L215 WeakPolarHBondContact CG1-O 3.31Å; I176-L215 HydrophobicContact CG2-CD2 4.22Å; A179-L215 HydrophobicContact CB-CD2 3.86Å; A179-L215 HydrophobicContact CB-CG 4.28Å; V188-L215 HydrophobicContact CG1-CB 4.12Å; Y203-L215 HydrophobicContact CD1-CB 4.19Å; Y203-L215 HydrophobicContact CD1-CD1 4.18Å; Y203-L215 VanDerWaalsContact O-CB 3.32Å; Y203-L215 WeakPolarHBondContact O-CB 3.39Å; Y203-L215 PolarHBondContact O-N 3.23Å; Y203-L215 VanDerWaalsContact O-N 3.14Å; V206-L215 HydrophobicContact CG2-CD1 4.45Å; V206-L215 HydrophobicContact CG2-CG 4.1Å
216V98.8Very high98.6Very high0 Ų049.7 Ų49.70%028%0.278CS..SBendtrans-120.4126172.4175.90000108.3L192 S195 A197 D200 Y203 K204 Q214L192-V216 HydrophobicContact CD2-CG2 3.47Å; L192-V216 VanDerWaalsContact CD2-CG2 3.47Å; S195-V216 WeakPolarHBondContact O-CA 3.13Å; A197-V216 HydrophobicContact CB-CG1 3.98Å; D200-V216 HydrophobicContact CB-CG1 4.34Å; Y203-V216 HydrophobicContact CD1-CG2 4.13Å; Y203-V216 HydrophobicContact CD2-CG2 4.5Å; Y203-V216 HydrophobicContact CG-CG2 3.82Å; K204-V216 VanDerWaalsContact CE-O 3.3Å; K204-V216 WeakPolarHBondContact CE-O 3.11Å; K204-V216 WeakPolarHBondContact CG-O 3.24Å; Q214-V216 VanDerWaalsContact C-N 3.28Å; Q214-V216 WeakPolarHBondContact CB-O 3.41Å; Q214-V216 PolarHBondContact O-N 2.95Å
217S98.9Very high98.6Very high1 Ų151 Ų511%0.00728%0.279CS..BIsolated β-bridgetrans-96.4137-179.6-177.30000111.3R175 S195 R196 A197 E219R175-S217 VanDerWaalsContact NH1-CB 3.3Å; S195-S217 PolarHBondContact O-N 3.35Å; R196-S217 CarbonylContact C-O 3.55Å; R196-S217 WeakPolarHBondContact CA-O 3.41Å; R196-S217 VanDerWaalsContact CB-O 3.26Å; R196-S217 WeakPolarHBondContact CB-O 3.44Å; A197-S217 PolarHBondContact N-O 2.87Å; S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 VanDerWaalsContact OG-CB 3.28Å; S217-E219 WeakPolarHBondContact OG-CB 3.45Å; S217-E219 PolarHBondContact OG-N 3.34Å; S217-E219 VanDerWaalsContact OG-N 3.12Å
218P98.9Very high98.5Very high1 Ų143.4 Ų43.41%0.00625%0.247CC..  trans-83.1-116832.8-32.3000113.3L107 D110 L198 P211 P220L107-P218 HydrophobicContact CD2-CB 4.42Å; L107-P218 HydrophobicContact CD2-CG 3.72Å; D110-P218 HydrophobicContact CB-CB 3.9Å; D110-P218 HydrophobicContact CB-CG 4.35Å; L198-P218 HydrophobicContact CD2-CB 3.99Å; P211-P218 WeakPolarHBondContact O-CD 3.19Å; P218-P220 WeakPolarHBondContact O-CD 3.28Å
219E98.9Very high98.2Very high48 Ų4847.8 Ų47.822%0.22425%0.245CC..PPolyproline II helixtrans-71.7118.1-174-170.7167.5-129.500112.2R103 R196 T212 S217R103-E219 HydrophobicContact CG-CG 4.4Å; R103-E219 IonicContact CZ-OE1 2.84Å; R103-E219 IonicContact NE-OE1 3.76Å; R103-E219 PolarHBondContact NE-OE1 3.24Å; R103-E219 IonicContact NH2-OE1 2.85Å; R103-E219 PolarHBondContact NH2-OE1 3.39Å; R196-E219 VanDerWaalsContact CD-O 3.29Å; R196-E219 WeakPolarHBondContact CD-O 3.3Å; R196-E219 PolarHBondContact NH1-O 3.27Å; T212-E219 HydrophobicContact CG2-CB 3.74Å; T212-E219 HydrophobicContact CG2-CG 4.16Å; S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 VanDerWaalsContact OG-CB 3.28Å; S217-E219 WeakPolarHBondContact OG-CB 3.45Å; S217-E219 PolarHBondContact OG-N 3.34Å; S217-E219 VanDerWaalsContact OG-N 3.12Å
220P98.9Very high97.7Very high9 Ų947.2 Ų47.26%0.05826%0.259CS..PPolyproline II helixtrans-76.8153.5177.934.2-36.1000110.6I102 F106 I143 N144 C145 P218 V222I102-P220 HydrophobicContact CG2-CG 4.13Å; F106-P220 HydrophobicContact CB-CG 3.92Å; F106-P220 HydrophobicContact CD1-CB 3.98Å; F106-P220 HydrophobicContact CD1-CG 4.08Å; F106-P220 HydrophobicContact CD2-CB 4.06Å; F106-P220 HydrophobicContact CD2-CG 3.68Å; F106-P220 HydrophobicContact CE1-CB 4.02Å; F106-P220 HydrophobicContact CE2-CB 4.07Å; F106-P220 HydrophobicContact CE2-CG 4.15Å; F106-P220 HydrophobicContact CG-CB 4Å; F106-P220 HydrophobicContact CG-CG 3.62Å; F106-P220 HydrophobicContact CZ-CB 4.05Å; I143-P220 HydrophobicContact CG2-CB 3.98Å; N144-P220 CarbonylContact O-C 3.58Å; N144-P220 VanDerWaalsContact O-CA 3.32Å; N144-P220 WeakPolarHBondContact O-CA 3.28Å; C145-P220 HydrophobicContact CB-CB 4.3Å; P218-P220 WeakPolarHBondContact O-CD 3.28Å; P220-V222 HydrophobicContact CB-CG2 4.43Å; P220-V222 HydrophobicContact CG-CG2 4.35Å
221E98.8Very high97.7Very high55 Ų5551 Ų5126%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-93.2134.5161.5-164.2173.7-146.800109.7I143 N144 Y223I143-E221 WeakPolarHBondContact CA-O 3.26Å; N144-E221 PolarHBondContact N-O 3.35Å; N144-E221 PolarHBondContact O-N 2.86Å; E221-Y223 HydrophobicContact CB-CE2 4.24Å; E221-Y223 HydrophobicContact CG-CD2 4.17Å; E221-Y223 HydrophobicContact CG-CE2 3.41Å; E221-Y223 VanDerWaalsContact CG-CE2 3.41Å; E221-Y223 PolarHBondContact OE1-OH 3.04Å; E221-Y223 WeakPolarHBondContact OE2-CE2 3.29Å; E221-Y223 PolarHBondContact OE2-OH 2.72Å
222V98.8Very high97.7Very high22 Ų2247.3 Ų47.313%0.13325%0.246CC..EExtended strand (participates in β ladder)trans-129.5121.3-175.4-169.30000111.9K99 I102 F142 I143 P220K99-V222 HydrophobicContact CB-CB 4.49Å; K99-V222 HydrophobicContact CB-CG1 4.45Å; K99-V222 WeakPolarHBondContact CE-O 3.2Å; K99-V222 HydrophobicContact CG-CB 4.07Å; K99-V222 HydrophobicContact CG-CG1 3.78Å; I102-V222 HydrophobicContact CB-CG2 4.09Å; I102-V222 HydrophobicContact CD1-CG1 3.77Å; I102-V222 HydrophobicContact CD1-CG2 4.47Å; I102-V222 HydrophobicContact CG2-CG2 3.59Å; F142-V222 CarbonylContact O-C 3.49Å; F142-V222 VanDerWaalsContact O-CA 3.28Å; F142-V222 WeakPolarHBondContact O-CA 3.2Å; I143-V222 HydrophobicContact CG1-CG1 4.39Å; P220-V222 HydrophobicContact CB-CG2 4.43Å; P220-V222 HydrophobicContact CG-CG2 4.35Å
223Y98.6Very high97.7Very high71 Ų7146.7 Ų46.728%0.27824%0.241SC..EExtended strand (participates in β ladder)trans-114128.6178.5-62-93.9000110Y141 F142 F160 E221Y141-Y223 CarbonylContact C-O 3.51Å; Y141-Y223 VanDerWaalsContact CA-O 3.25Å; Y141-Y223 WeakPolarHBondContact CA-O 3.2Å; F142-Y223 PolarHBondContact N-O 3.33Å; F142-Y223 PolarHBondContact O-N 3.24Å; F160-Y223 AromaticContact CE2-CD1 3.83Å; F160-Y223 HydrophobicContact CE2-CD1 3.83Å; F160-Y223 HydrophobicContact CE2-CD2 4.12Å; F160-Y223 HydrophobicContact CE2-CE1 4.27Å; F160-Y223 AromaticContact CE2-CG 3.71Å; F160-Y223 HydrophobicContact CE2-CG 3.71Å; F160-Y223 HydrophobicContact CZ-CD1 4.1Å; F160-Y223 AromaticContact CZ-CD2 3.52Å; F160-Y223 HydrophobicContact CZ-CD2 3.52Å; F160-Y223 HydrophobicContact CZ-CE2 4.05Å; F160-Y223 AromaticContact CZ-CG 3.51Å; F160-Y223 HydrophobicContact CZ-CG 3.51Å; E221-Y223 HydrophobicContact CB-CE2 4.24Å; E221-Y223 HydrophobicContact CG-CD2 4.17Å; E221-Y223 HydrophobicContact CG-CE2 3.41Å; E221-Y223 VanDerWaalsContact CG-CE2 3.41Å; E221-Y223 PolarHBondContact OE1-OH 3.04Å; E221-Y223 WeakPolarHBondContact OE2-CE2 3.29Å; E221-Y223 PolarHBondContact OE2-OH 2.72Å
224A98.4Very high97.7Very high33 Ų3342.1 Ų42.127%0.27322%0.219SC..EExtended strand (participates in β ladder)trans-102.3123.5175.100000108.9V95 Y141V95-A224 HydrophobicContact CG1-CB 3.46Å; V95-A224 VanDerWaalsContact CG1-CB 3.46Å; V95-A224 HydrophobicContact CG2-CB 4.41Å; Y141-A224 HydrophobicContact CD1-CB 3.71Å; Y141-A224 HydrophobicContact CE1-CB 3.63Å
225I98.6Very high97.7Very high19 Ų1941.7 Ų41.710%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-119.7123.9-179.9-55.6176.6000107.2H139 I140 F142 L152 F160 R227H139-I225 CarbonylContact C-O 3.41Å; H139-I225 VanDerWaalsContact CA-O 3.3Å; H139-I225 WeakPolarHBondContact CA-O 3.29Å; I140-I225 PolarHBondContact N-O 3.29Å; I140-I225 PolarHBondContact O-N 3Å; F142-I225 HydrophobicContact CD2-CD1 3.68Å; F142-I225 HydrophobicContact CE2-CD1 3.85Å; L152-I225 HydrophobicContact CD2-CD1 4.37Å; L152-I225 HydrophobicContact CD2-CG2 4.25Å; F160-I225 HydrophobicContact CB-CD1 3.53Å; F160-I225 HydrophobicContact CD1-CD1 3.6Å; F160-I225 HydrophobicContact CD2-CD1 3.86Å; F160-I225 HydrophobicContact CE1-CD1 4.31Å; F160-I225 HydrophobicContact CG-CD1 3.35Å; I225-R227 PolarHBondContact O-N 2.65Å
226E98.3Very high97.7Very high141 Ų14140.8 Ų40.866%0.65921%0.213SC*.EExtended strand (participates in β ladder)trans-63135.2172.2-72-179-172.700110.1R154R154-E226 PolarHBondContact NH1-O 3.1Å; R154-E226 PolarHBondContact NH2-O 2.95Å
227R98.2Very high97.7Very high66 Ų6640.8 Ų40.825%0.24921%0.213CC..  trans-69140176.9-71.9179.165.2-177.1-2.8110.3S136 P137 S138 I140 I225 D232S136-R227 VanDerWaalsContact O-CD 3.25Å; S136-R227 WeakPolarHBondContact O-CD 3.3Å; S136-R227 PolarHBondContact O-NH1 3.2Å; P137-R227 PolarHBondContact O-NH1 3.24Å; S138-R227 PolarHBondContact O-N 2.74Å; I140-R227 HydrophobicContact CD1-CG 4.05Å; I140-R227 HydrophobicContact CG1-CG 3.78Å; I225-R227 PolarHBondContact O-N 2.65Å; R227-D232 WeakPolarHBondContact CA-OD2 3.42Å
228S97.2Very high97.7Very high27 Ų2740.7 Ų40.719%0.18921%0.212CC..  trans-116.496.5173.8-170.10000108.6G230 E231 D232S228-G230 PolarHBondContact O-N 2.89Å; S228-E231 PolarHBondContact O-N 2.84Å; S228-E231 VanDerWaalsContact O-N 3.15Å; S228-E231 WeakPolarHBondContact OG-CB 3.42Å; S228-E231 VanDerWaalsContact OG-CD 3.29Å; S228-E231 PolarHBondContact OG-OE2 3.47Å; S228-D232 PolarHBondContact N-OD2 2.9Å; S228-D232 WeakPolarHBondContact O-CB 3.24Å; S228-D232 PolarHBondContact O-N 2.98Å
229E91.2Very high97.7Very high176 Ų17640.7 Ų40.782%0.82221%0.212SC*.THydrogen-bonded Turntrans-62.9124.4-179.6-172.5170.1-159.400110.5E231E229-E231 VanDerWaalsContact C-N 3.33Å
230G88.4Confident97.7Very high59 Ų5939.5 Ų39.561%0.60821%0.207SC*.THydrogen-bonded Turntrans89.9-17.2-177.800000114.9S228S228-G230 PolarHBondContact O-N 2.89Å
231E96.5Very high97.7Very high106 Ų10639.1 Ų39.150%0.49521%0.205SC..THydrogen-bonded Turntrans-104.5-30.7172.5-59.5-177.916500112.8R154 G155 S228 E229 E233R154-E231 VanDerWaalsContact CA-O 3.31Å; R154-E231 WeakPolarHBondContact CA-O 3.49Å; R154-E231 HydrophobicContact CG-CB 3.7Å; R154-E231 WeakPolarHBondContact CG-O 3.3Å; G155-E231 PolarHBondContact N-O 3.12Å; S228-E231 PolarHBondContact O-N 2.84Å; S228-E231 VanDerWaalsContact O-N 3.15Å; S228-E231 WeakPolarHBondContact OG-CB 3.42Å; S228-E231 VanDerWaalsContact OG-CD 3.29Å; S228-E231 PolarHBondContact OG-OE2 3.47Å; E229-E231 VanDerWaalsContact C-N 3.33Å; E231-E233 WeakPolarHBondContact O-CG 3.18Å; E231-E233 PolarHBondContact O-N 3.33Å
232D98.6Very high97.7Very high3 Ų336.5 Ų36.52%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-63.2122.3172.8-78.8-32.1000109.8R154 R227 S228 F292 G294R154-D232 IonicContact CZ-OD1 2.63Å; R154-D232 IonicContact NE-OD1 2.81Å; R154-D232 PolarHBondContact NE-OD1 2.95Å; R154-D232 VanDerWaalsContact NH2-CG 3.31Å; R154-D232 IonicContact NH2-OD1 3.69Å; R154-D232 PolarHBondContact NH2-OD1 3.08Å; R154-D232 IonicContact NH2-OD2 3.5Å; R154-D232 PolarHBondContact NH2-OD2 3.46Å; R227-D232 WeakPolarHBondContact CA-OD2 3.42Å; S228-D232 PolarHBondContact N-OD2 2.9Å; S228-D232 WeakPolarHBondContact O-CB 3.24Å; S228-D232 PolarHBondContact O-N 2.98Å; D232-F292 HydrophobicContact CB-CB 4.13Å; D232-F292 HydrophobicContact CB-CD1 4.29Å; D232-F292 HydrophobicContact CB-CD2 3.88Å; D232-F292 HydrophobicContact CB-CE2 4.34Å; D232-F292 HydrophobicContact CB-CG 3.85Å; D232-F292 VanDerWaalsContact O-CB 3.25Å; D232-F292 WeakPolarHBondContact O-CB 3.49Å; D232-G294 CarbonylContact O-C 3.46Å; D232-G294 VanDerWaalsContact O-CA 3.29Å; D232-G294 WeakPolarHBondContact O-CA 3.27Å; D232-G294 PolarHBondContact O-N 3.12Å
233E98.7Very high97.7Very high19 Ų1936 Ų369%0.08919%0.188CC..EExtended strand (participates in β ladder)trans-103.6-67.5-174.5-60.5-178.6121.800110.5S153 G156 E231 R256 F292 A295S153-E233 PolarHBondContact O-N 2.84Å; S153-E233 PolarHBondContact OG-OE2 3.27Å; G156-E233 WeakPolarHBondContact CA-OE2 3.48Å; G156-E233 PolarHBondContact N-OE2 2.93Å; E231-E233 WeakPolarHBondContact O-CG 3.18Å; E231-E233 PolarHBondContact O-N 3.33Å; E233-R256 IonicContact OE1-CZ 3.14Å; E233-R256 IonicContact OE1-NH1 2.65Å; E233-R256 PolarHBondContact OE1-NH1 2.77Å; E233-R256 IonicContact OE1-NH2 3.49Å; E233-R256 IonicContact OE2-NH1 3.67Å; E233-R256 PolarHBondContact OE2-NH1 2.84Å; E233-F292 PolarHBondContact O-N 2.97Å; E233-A295 WeakPolarHBondContact O-CA 3.32Å; E233-A295 VanDerWaalsContact O-CB 3.28Å; E233-A295 WeakPolarHBondContact O-CB 3.36Å
234F98.9Very high97.6Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-156.9161.3179.757-94.5000112.1S153 I236 V255 R256 L259 L289 I290S153-F234 PolarHBondContact N-O 3.16Å; F234-I236 HydrophobicContact CD2-CD1 4.3Å; F234-I236 HydrophobicContact CD2-CG1 3.9Å; F234-I236 HydrophobicContact CE2-CD1 3.89Å; F234-I236 HydrophobicContact CE2-CG1 4Å; F234-V255 HydrophobicContact CD1-CG1 4.46Å; F234-V255 HydrophobicContact CD2-CG1 3.99Å; F234-V255 HydrophobicContact CE1-CG1 4.25Å; F234-V255 HydrophobicContact CE2-CB 4.18Å; F234-V255 HydrophobicContact CE2-CG1 3.76Å; F234-V255 HydrophobicContact CG-CG1 4.35Å; F234-V255 HydrophobicContact CZ-CB 4.24Å; F234-V255 HydrophobicContact CZ-CG1 3.9Å; F234-R256 HydrophobicContact CE1-CG 3.57Å; F234-R256 HydrophobicContact CZ-CG 3.67Å; F234-L259 HydrophobicContact CD1-CD1 3.76Å; F234-L259 HydrophobicContact CE1-CD1 4.17Å; F234-L259 HydrophobicContact CG-CD1 4.33Å; F234-L289 HydrophobicContact CB-CD1 4.04Å; F234-L289 HydrophobicContact CD2-CD1 3.96Å; F234-L289 HydrophobicContact CG-CD1 4.17Å; F234-I290 CarbonylContact C-O 3.53Å; F234-I290 WeakPolarHBondContact CA-O 3.24Å; F234-I290 VanDerWaalsContact CB-O 3.28Å; F234-I290 WeakPolarHBondContact CB-O 3.19Å
235I98.9Very high97.7Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-115.6141.3170.9-70.6160.5000108.7V133 I135 I140 F142 L151 L152 L237 I290 F292V133-I235 HydrophobicContact CG1-CD1 4.28Å; V133-I235 HydrophobicContact CG1-CG2 4.17Å; V133-I235 HydrophobicContact CG2-CD1 4.32Å; V133-I235 HydrophobicContact CG2-CG2 4.32Å; I135-I235 HydrophobicContact CD1-CD1 4.24Å; I140-I235 HydrophobicContact CD1-CD1 4.28Å; I140-I235 HydrophobicContact CG2-CD1 3.78Å; F142-I235 HydrophobicContact CE1-CG2 4.11Å; F142-I235 HydrophobicContact CE2-CD1 4.48Å; F142-I235 HydrophobicContact CZ-CD1 4.17Å; F142-I235 HydrophobicContact CZ-CG1 3.94Å; F142-I235 HydrophobicContact CZ-CG2 4.07Å; L151-I235 VanDerWaalsContact O-CA 3.23Å; L151-I235 WeakPolarHBondContact O-CA 3.29Å; L151-I235 WeakPolarHBondContact O-CG2 3.3Å; L152-I235 HydrophobicContact CB-CG1 4.37Å; L152-I235 HydrophobicContact CD1-CD1 4.32Å; L152-I235 HydrophobicContact CD1-CG1 3.72Å; I235-L237 HydrophobicContact CG2-CD2 4.05Å; I235-L237 HydrophobicContact CG2-CG 4.16Å; I235-I290 HydrophobicContact CB-CB 4.33Å; I235-I290 HydrophobicContact CB-CD1 4.14Å; I235-I290 HydrophobicContact CG2-CD1 3.92Å; I235-I290 PolarHBondContact N-O 2.78Å; I235-I290 PolarHBondContact O-N 3.36Å; I235-F292 HydrophobicContact CD1-CE2 3.55Å; I235-F292 HydrophobicContact CD1-CZ 3.63Å; I235-F292 HydrophobicContact CG1-CE2 3.84Å; I235-F292 HydrophobicContact CG1-CZ 4.43Å
236I98.9Very high97.6Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-116.5128.7170.3-51176.5000107.5G150 L151 F234 W243 L251 V255 V287 L289G150-I236 CarbonylContact C-O 3.54Å; G150-I236 WeakPolarHBondContact CA-O 3.43Å; L151-I236 HydrophobicContact CD1-CB 4.41Å; L151-I236 HydrophobicContact CD1-CD1 4.16Å; L151-I236 HydrophobicContact CD1-CG1 4.19Å; L151-I236 HydrophobicContact CG-CB 4.19Å; L151-I236 HydrophobicContact CG-CD1 4.44Å; L151-I236 HydrophobicContact CG-CG1 4.47Å; L151-I236 PolarHBondContact N-O 3.49Å; L151-I236 PolarHBondContact O-N 3.47Å; F234-I236 HydrophobicContact CD2-CD1 4.3Å; F234-I236 HydrophobicContact CD2-CG1 3.9Å; F234-I236 HydrophobicContact CE2-CD1 3.89Å; F234-I236 HydrophobicContact CE2-CG1 4Å; I236-W243 HydrophobicContact CG2-CH2 4.3Å; I236-W243 HydrophobicContact CG2-CZ2 4.19Å; I236-L251 HydrophobicContact CD1-CD2 4.09Å; I236-L251 HydrophobicContact CD1-CG 3.87Å; I236-L251 HydrophobicContact CG2-CD2 3.97Å; I236-V255 HydrophobicContact CD1-CB 4.16Å; I236-V255 HydrophobicContact CD1-CG1 4.48Å; I236-V255 HydrophobicContact CD1-CG2 3.67Å; I236-V287 HydrophobicContact CG2-CG2 3.78Å; I236-L289 HydrophobicContact CG1-CD1 4.12Å
237L99Very high97.7Very high0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-117.1128.6167-56.9177.9000108.1F56 V58 V131 V133 I235 V287 V288 I290F56-L237 HydrophobicContact CB-CD1 3.83Å; F56-L237 WeakPolarHBondContact O-CD1 3.34Å; V58-L237 HydrophobicContact CG2-CB 4Å; V131-L237 HydrophobicContact CG1-CB 4.47Å; V131-L237 HydrophobicContact CG2-CD2 4.39Å; V133-L237 HydrophobicContact CG1-CD2 4.26Å; V133-L237 HydrophobicContact CG2-CD1 4.28Å; I235-L237 HydrophobicContact CG2-CD2 4.05Å; I235-L237 HydrophobicContact CG2-CG 4.16Å; L237-V287 CarbonylContact O-C 3.51Å; L237-V287 VanDerWaalsContact O-CA 3.27Å; L237-V287 WeakPolarHBondContact O-CA 3.32Å; L237-V288 HydrophobicContact CB-CB 4.29Å; L237-V288 PolarHBondContact N-O 3.17Å; L237-V288 PolarHBondContact O-N 2.82Å; L237-I290 HydrophobicContact CD1-CD1 4.32Å; L237-I290 HydrophobicContact CG-CD1 4.31Å
238A98.9Very high97.7Very high0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-151.9156.9176.200000113.2S148 R149 I242 W243 S286 V287S148-A238 WeakPolarHBondContact CB-O 3.28Å; R149-A238 PolarHBondContact N-O 3.24Å; R149-A238 PolarHBondContact O-N 2.91Å; A238-I242 HydrophobicContact CB-CB 3.83Å; A238-I242 HydrophobicContact CB-CG1 3.8Å; A238-I242 HydrophobicContact CB-CG2 4.13Å; A238-W243 HydrophobicContact CB-CZ2 4.26Å; A238-W243 PolarHBondContact O-NE1 3.23Å; A238-S286 WeakPolarHBondContact CA-O 3.44Å; A238-S286 VanDerWaalsContact CB-O 3.3Å; A238-S286 WeakPolarHBondContact CB-O 3.35Å; A238-V287 HydrophobicContact CB-CB 4.21Å; A238-V287 HydrophobicContact CB-CG2 4.21Å
239C98.8Very high97.8Very high0 Ų034.3 Ų34.30%019%0.192CC..  trans-72.9171169.562.70000111.9D38 V58 D60 G241 I242 S286D38-C239 PolarHBondContact OD2-SG 2.84Å; D38-C239 VanDerWaalsContact OD2-SG 3.33Å; V58-C239 HydrophobicContact CG1-CB 4.24Å; D60-C239 HydrophobicContact CB-CB 3.97Å; D60-C239 WeakPolarHBondContact OD2-CB 3.36Å; C239-G241 PolarHBondContact O-N 2.92Å; C239-I242 PolarHBondContact O-N 2.83Å; C239-I242 VanDerWaalsContact O-N 3.17Å; C239-S286 PolarHBondContact N-O 3.23Å; C239-S286 PolarHBondContact SG-N 3.47Å
240D98.6Very high98.1Very high24 Ų2429.8 Ų29.813%0.12817%0.171CC..Hα-helixtrans-65.8-23.4-177.571-8000112.7I242 W243 D244D240-I242 CarbonylContact O-C 3.49Å; D240-I242 PolarHBondContact O-N 2.93Å; D240-W243 PolarHBondContact O-N 3.38Å; D240-D244 VanDerWaalsContact O-CB 3.27Å; D240-D244 WeakPolarHBondContact O-CB 3.42Å; D240-D244 PolarHBondContact O-N 3.03Å
241G98.6Very high98.6Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-53.5-20.9170.800000114.8C239 S281 M285C239-G241 PolarHBondContact O-N 2.92Å; G241-S281 WeakPolarHBondContact O-CB 3.25Å; G241-S281 PolarHBondContact O-OG 3.32Å; G241-M285 WeakPolarHBondContact O-CG 3.44Å
242I98.9Very high98.7Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-92.9-50.5168.8-60.2-58.6000111A238 C239 D240 D244 V245 M246 L251 I272 V273 C276 M285A238-I242 HydrophobicContact CB-CB 3.83Å; A238-I242 HydrophobicContact CB-CG1 3.8Å; A238-I242 HydrophobicContact CB-CG2 4.13Å; C239-I242 PolarHBondContact O-N 2.83Å; C239-I242 VanDerWaalsContact O-N 3.17Å; D240-I242 CarbonylContact O-C 3.49Å; D240-I242 PolarHBondContact O-N 2.93Å; I242-D244 VanDerWaalsContact C-N 3.3Å; I242-D244 PolarHBondContact O-N 3.01Å; I242-V245 WeakPolarHBondContact O-CG2 3.03Å; I242-V245 PolarHBondContact O-N 3.26Å; I242-M246 PolarHBondContact O-N 2.97Å; I242-L251 HydrophobicContact CG2-CD2 3.72Å; I242-I272 HydrophobicContact CD1-CG2 4.11Å; I242-I272 HydrophobicContact CG2-CG2 4.12Å; I242-V273 HydrophobicContact CD1-CG2 4.37Å; I242-C276 HydrophobicContact CD1-CB 3.78Å; I242-M285 HydrophobicContact CD1-CB 3.9Å; I242-M285 HydrophobicContact CD1-CG 3.76Å; I242-M285 HydrophobicContact CD1-SD 4.1Å; I242-M285 HydrophobicContact CG1-CG 4.42Å
243W98.8Very high98.7Very high12 Ų1225 Ų255%0.04514%0.135CC..Hα-helixtrans-72.3-17.8-171.4-59.1114000115.1R149 L151 I236 A238 D240 V245 L251R149-W243 HydrophobicContact CB-CD2 4.12Å; R149-W243 HydrophobicContact CB-CG 4.03Å; R149-W243 HydrophobicContact CB-CZ2 4.35Å; R149-W243 WeakPolarHBondContact O-CZ2 3.28Å; R149-W243 PolarHBondContact O-NE1 3.41Å; L151-W243 HydrophobicContact CD2-CH2 3.4Å; L151-W243 VanDerWaalsContact CD2-CH2 3.4Å; L151-W243 HydrophobicContact CD2-CZ3 3.82Å; L151-W243 HydrophobicContact CG-CH2 4Å; I236-W243 HydrophobicContact CG2-CH2 4.3Å; I236-W243 HydrophobicContact CG2-CZ2 4.19Å; A238-W243 HydrophobicContact CB-CZ2 4.26Å; A238-W243 PolarHBondContact O-NE1 3.23Å; D240-W243 PolarHBondContact O-N 3.38Å; W243-V245 PolarHBondContact O-N 2.7Å; W243-L251 HydrophobicContact CE3-CD2 4.19Å; W243-L251 HydrophobicContact CH2-CD2 3.48Å; W243-L251 VanDerWaalsContact CH2-CD2 3.48Å; W243-L251 HydrophobicContact CZ2-CD2 4.14Å; W243-L251 HydrophobicContact CZ3-CB 4.12Å; W243-L251 HydrophobicContact CZ3-CD2 3.5Å; W243-L251 HydrophobicContact CZ3-CG 4.41Å
244D98.2Very high98.7Very high110 Ų11024.1 Ų24.159%0.58813%0.131SC*.THydrogen-bonded Turntrans-69.1-21.9175.4-87.11.4000112.4D240 I242D240-D244 VanDerWaalsContact O-CB 3.27Å; D240-D244 WeakPolarHBondContact O-CB 3.42Å; D240-D244 PolarHBondContact O-N 3.03Å; I242-D244 VanDerWaalsContact C-N 3.3Å; I242-D244 PolarHBondContact O-N 3.01Å
245V98.6Very high98.7Very high38 Ų3824.1 Ų24.123%0.2313%0.131CC..THydrogen-bonded Turntrans-123.9-7.5-175.2-61.50000114.3I242 W243 C276 K279I242-V245 WeakPolarHBondContact O-CG2 3.03Å; I242-V245 PolarHBondContact O-N 3.26Å; W243-V245 PolarHBondContact O-N 2.7Å; V245-C276 HydrophobicContact CG2-CB 3.6Å; V245-K279 HydrophobicContact CB-CB 3.98Å; V245-K279 HydrophobicContact CG2-CB 4.21Å
246M98.4Very high98.7Very high2 Ų226.6 Ų26.61%0.0114%0.14CC..SBendtrans-135.6123.2174.3-67.6-168.370.300110.9I242 E250 L251 F254 T275 K279I242-M246 PolarHBondContact O-N 2.97Å; M246-E250 HydrophobicContact CE-CB 4.4Å; M246-L251 HydrophobicContact CB-CB 4.29Å; M246-L251 HydrophobicContact CE-CB 4.24Å; M246-L251 HydrophobicContact CE-CD1 3.91Å; M246-L251 HydrophobicContact SD-CD1 3.98Å; M246-F254 HydrophobicContact CE-CB 3.94Å; M246-F254 HydrophobicContact CE-CD1 4.28Å; M246-F254 HydrophobicContact CE-CG 4.19Å; M246-T275 HydrophobicContact SD-CG2 4.08Å; M246-K279 HydrophobicContact CG-CD 3.73Å; M246-K279 HydrophobicContact SD-CD 4.22Å
247A98.6Very high98.7Very high51 Ų5127.3 Ų27.342%0.42115%0.145SC..  trans-72163174.800000111.7E249 E250 L251A247-E249 PolarHBondContact O-N 2.86Å; A247-E250 HydrophobicContact CB-CG 4.18Å; A247-E250 PolarHBondContact N-OE2 3.26Å; A247-E250 PolarHBondContact O-N 2.9Å; A247-E250 VanDerWaalsContact O-N 3.17Å; A247-L251 PolarHBondContact O-N 3.22Å
248N98.8Very high98.7Very high24 Ų2427.9 Ų27.913%0.12815%0.147CC..Hα-helixtrans-52.3-49.9-176.7-62.2-14.3000112.8R149 L151 V158 F161 C252R149-N248 WeakPolarHBondContact CD-OD1 3.48Å; R149-N248 PolarHBondContact NH1-OD1 2.87Å; L151-N248 HydrophobicContact CD2-CB 4.22Å; V158-N248 HydrophobicContact CG2-CB 4.43Å; F161-N248 WeakPolarHBondContact CD2-ND2 3.41Å; F161-N248 VanDerWaalsContact CG-ND2 3.32Å; F161-N248 WeakPolarHBondContact CG-ND2 3.48Å; N248-C252 VanDerWaalsContact O-CB 3.27Å; N248-C252 WeakPolarHBondContact O-CB 3.22Å; N248-C252 PolarHBondContact O-N 2.82Å
249E98.6Very high98.7Very high97 Ų9728.2 Ų28.245%0.45315%0.149SC..Hα-helixtrans-70.8-38.2-178.8-54.7-5617300112.2V158 A247 L251 C252 D253V158-E249 WeakPolarHBondContact CB-OE2 3.25Å; V158-E249 WeakPolarHBondContact CG2-OE2 3.38Å; A247-E249 PolarHBondContact O-N 2.86Å; E249-L251 VanDerWaalsContact C-N 3.35Å; E249-L251 PolarHBondContact O-N 2.73Å; E249-C252 PolarHBondContact O-N 2.74Å; E249-D253 WeakPolarHBondContact O-CB 3.34Å; E249-D253 PolarHBondContact O-N 2.8Å
250E98.6Very high98.7Very high81 Ų8131 Ų3138%0.37916%0.162SC..Hα-helixtrans-60.9-45177-65.9-179.5140.100111.4M246 A247 F254M246-E250 HydrophobicContact CE-CB 4.4Å; A247-E250 HydrophobicContact CB-CG 4.18Å; A247-E250 PolarHBondContact N-OE2 3.26Å; A247-E250 PolarHBondContact O-N 2.9Å; A247-E250 VanDerWaalsContact O-N 3.17Å; E250-F254 WeakPolarHBondContact O-CB 3.48Å; E250-F254 PolarHBondContact O-N 2.98Å
251L98.9Very high98.7Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-71.8-37.7178.9-173.460.7000111.9I236 I242 W243 M246 A247 E249 F254 V255 I272I236-L251 HydrophobicContact CD1-CD2 4.09Å; I236-L251 HydrophobicContact CD1-CG 3.87Å; I236-L251 HydrophobicContact CG2-CD2 3.97Å; I242-L251 HydrophobicContact CG2-CD2 3.72Å; W243-L251 HydrophobicContact CE3-CD2 4.19Å; W243-L251 HydrophobicContact CH2-CD2 3.48Å; W243-L251 VanDerWaalsContact CH2-CD2 3.48Å; W243-L251 HydrophobicContact CZ2-CD2 4.14Å; W243-L251 HydrophobicContact CZ3-CB 4.12Å; W243-L251 HydrophobicContact CZ3-CD2 3.5Å; W243-L251 HydrophobicContact CZ3-CG 4.41Å; M246-L251 HydrophobicContact CB-CB 4.29Å; M246-L251 HydrophobicContact CE-CB 4.24Å; M246-L251 HydrophobicContact CE-CD1 3.91Å; M246-L251 HydrophobicContact SD-CD1 3.98Å; A247-L251 PolarHBondContact O-N 3.22Å; E249-L251 VanDerWaalsContact C-N 3.35Å; E249-L251 PolarHBondContact O-N 2.73Å; L251-F254 HydrophobicContact CD1-CD1 4.31Å; L251-F254 PolarHBondContact O-N 2.8Å; L251-V255 HydrophobicContact CD1-CG2 4.2Å; L251-V255 HydrophobicContact CG-CG2 4.44Å; L251-V255 WeakPolarHBondContact O-CB 3.42Å; L251-V255 WeakPolarHBondContact O-CG2 3.23Å; L251-V255 PolarHBondContact O-N 3.48Å; L251-I272 HydrophobicContact CD1-CB 4.48Å; L251-I272 HydrophobicContact CD1-CD1 4.36Å; L251-I272 HydrophobicContact CD1-CG1 4.03Å; L251-I272 HydrophobicContact CD1-CG2 3.73Å
252C98.8Very high98.7Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-59.7-51.6174.7-1770000111.2V158 N248 E249 F254 V255 R256V158-C252 HydrophobicContact CG2-CB 3.54Å; N248-C252 VanDerWaalsContact O-CB 3.27Å; N248-C252 WeakPolarHBondContact O-CB 3.22Å; N248-C252 PolarHBondContact O-N 2.82Å; E249-C252 PolarHBondContact O-N 2.74Å; C252-F254 VanDerWaalsContact C-N 3.34Å; C252-F254 PolarHBondContact O-N 3.19Å; C252-V255 PolarHBondContact O-N 3.02Å; C252-R256 VanDerWaalsContact O-CG 3.27Å; C252-R256 WeakPolarHBondContact O-CG 3.36Å; C252-R256 PolarHBondContact O-N 2.88Å
253D98.8Very high98.6Very high68 Ų6837.7 Ų37.736%0.36420%0.196SC..Hα-helixtrans-63.2-40.4178.1-74.3-17.6000112E249 R256 S257 P349E249-D253 WeakPolarHBondContact O-CB 3.34Å; E249-D253 PolarHBondContact O-N 2.8Å; D253-R256 PolarHBondContact O-N 3.39Å; D253-S257 PolarHBondContact O-N 2.83Å; D253-P349 HydrophobicContact CB-CB 4.07Å; D253-P349 HydrophobicContact CB-CG 4.13Å
254F98.9Very high98.6Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-59.6-52.9176.1-178.3-115.2000111M246 E250 L251 C252 R256 S257 R258 E271 I272 T275 P348 P349 S355M246-F254 HydrophobicContact CE-CB 3.94Å; M246-F254 HydrophobicContact CE-CD1 4.28Å; M246-F254 HydrophobicContact CE-CG 4.19Å; E250-F254 WeakPolarHBondContact O-CB 3.48Å; E250-F254 PolarHBondContact O-N 2.98Å; L251-F254 HydrophobicContact CD1-CD1 4.31Å; L251-F254 PolarHBondContact O-N 2.8Å; C252-F254 VanDerWaalsContact C-N 3.34Å; C252-F254 PolarHBondContact O-N 3.19Å; F254-R256 VanDerWaalsContact C-N 3.33Å; F254-R256 PolarHBondContact O-N 3.28Å; F254-S257 WeakPolarHBondContact O-CB 3.42Å; F254-S257 PolarHBondContact O-N 2.91Å; F254-S257 PolarHBondContact O-OG 3.27Å; F254-R258 HydrophobicContact CD1-CG 4.38Å; F254-R258 HydrophobicContact CD2-CG 4.37Å; F254-R258 HydrophobicContact CE1-CG 4.01Å; F254-R258 HydrophobicContact CE2-CG 4Å; F254-R258 HydrophobicContact CZ-CG 3.81Å; F254-R258 WeakPolarHBondContact O-CG 3.39Å; F254-R258 PolarHBondContact O-N 3.14Å; F254-E271 HydrophobicContact CE1-CB 4.49Å; F254-E271 HydrophobicContact CZ-CB 4.33Å; F254-I272 HydrophobicContact CD1-CG1 4.19Å; F254-I272 HydrophobicContact CE1-CG1 4.07Å; F254-T275 WeakPolarHBondContact CZ-OG1 3.39Å; F254-P348 HydrophobicContact CD2-CB 3.97Å; F254-P348 HydrophobicContact CE2-CB 3.88Å; F254-P349 VanDerWaalsContact CA-O 3.24Å; F254-P349 WeakPolarHBondContact CA-O 3.01Å; F254-P349 VanDerWaalsContact CB-O 3.32Å; F254-P349 WeakPolarHBondContact CB-O 3.39Å; F254-P349 PolarHBondContact N-O 3.11Å; F254-S355 VanDerWaalsContact CE2-CB 3.47Å
255V98.9Very high98.7Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-59.5-43.1179.4168.50000111.6F234 I236 L251 C252 S257 R258 L259 V268 I272 L289F234-V255 HydrophobicContact CD1-CG1 4.46Å; F234-V255 HydrophobicContact CD2-CG1 3.99Å; F234-V255 HydrophobicContact CE1-CG1 4.25Å; F234-V255 HydrophobicContact CE2-CB 4.18Å; F234-V255 HydrophobicContact CE2-CG1 3.76Å; F234-V255 HydrophobicContact CG-CG1 4.35Å; F234-V255 HydrophobicContact CZ-CB 4.24Å; F234-V255 HydrophobicContact CZ-CG1 3.9Å; I236-V255 HydrophobicContact CD1-CB 4.16Å; I236-V255 HydrophobicContact CD1-CG1 4.48Å; I236-V255 HydrophobicContact CD1-CG2 3.67Å; L251-V255 HydrophobicContact CD1-CG2 4.2Å; L251-V255 HydrophobicContact CG-CG2 4.44Å; L251-V255 WeakPolarHBondContact O-CB 3.42Å; L251-V255 WeakPolarHBondContact O-CG2 3.23Å; L251-V255 PolarHBondContact O-N 3.48Å; C252-V255 PolarHBondContact O-N 3.02Å; V255-S257 VanDerWaalsContact C-N 3.31Å; V255-S257 PolarHBondContact O-N 2.82Å; V255-R258 PolarHBondContact O-N 3.45Å; V255-R258 VanDerWaalsContact O-N 3.15Å; V255-L259 HydrophobicContact CG1-CD1 3.84Å; V255-L259 HydrophobicContact CG1-CG 4.23Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.86Å; V255-V268 HydrophobicContact CG1-CG1 4.46Å; V255-I272 HydrophobicContact CG2-CD1 3.52Å; V255-I272 HydrophobicContact CG2-CG1 4.01Å; V255-L289 HydrophobicContact CG1-CD1 3.74Å; V255-L289 HydrophobicContact CG1-CD2 4.1Å
256R98.7Very high98.7Very high51 Ų5136.2 Ų36.219%0.19219%0.186CC..Hα-helixtrans-55-48.6173.3-71.3174.864.868.86.1111.4E233 F234 C252 D253 F254 R258 L259 E260 P296E233-R256 IonicContact OE1-CZ 3.14Å; E233-R256 IonicContact OE1-NH1 2.65Å; E233-R256 PolarHBondContact OE1-NH1 2.77Å; E233-R256 IonicContact OE1-NH2 3.49Å; E233-R256 IonicContact OE2-NH1 3.67Å; E233-R256 PolarHBondContact OE2-NH1 2.84Å; F234-R256 HydrophobicContact CE1-CG 3.57Å; F234-R256 HydrophobicContact CZ-CG 3.67Å; C252-R256 VanDerWaalsContact O-CG 3.27Å; C252-R256 WeakPolarHBondContact O-CG 3.36Å; C252-R256 PolarHBondContact O-N 2.88Å; D253-R256 PolarHBondContact O-N 3.39Å; F254-R256 VanDerWaalsContact C-N 3.33Å; F254-R256 PolarHBondContact O-N 3.28Å; R256-R258 VanDerWaalsContact C-N 3.26Å; R256-R258 PolarHBondContact O-N 2.8Å; R256-L259 PolarHBondContact O-N 2.95Å; R256-E260 PolarHBondContact O-N 3.3Å; R256-E260 VanDerWaalsContact O-N 3.11Å; R256-P296 HydrophobicContact CG-CG 4.28Å
257S98.7Very high98.7Very high16 Ų1640.5 Ų40.511%0.11221%0.205CC..Hα-helixtrans-61.1-34.6179.784.90000112.8D253 F254 V255 V261D253-S257 PolarHBondContact O-N 2.83Å; F254-S257 WeakPolarHBondContact O-CB 3.42Å; F254-S257 PolarHBondContact O-N 2.91Å; F254-S257 PolarHBondContact O-OG 3.27Å; V255-S257 VanDerWaalsContact C-N 3.31Å; V255-S257 PolarHBondContact O-N 2.82Å; S257-V261 WeakPolarHBondContact O-CG2 3.46Å
258R98.8Very high98.7Very high12 Ų1238.1 Ų38.15%0.04519%0.185CC..Hα-helixtrans-76.5-39.7179.5-61.1-55.186.5-171.2-6.2111.8F254 V255 R256 E260 V261 T262 V268 E271 E306F254-R258 HydrophobicContact CD1-CG 4.38Å; F254-R258 HydrophobicContact CD2-CG 4.37Å; F254-R258 HydrophobicContact CE1-CG 4.01Å; F254-R258 HydrophobicContact CE2-CG 4Å; F254-R258 HydrophobicContact CZ-CG 3.81Å; F254-R258 WeakPolarHBondContact O-CG 3.39Å; F254-R258 PolarHBondContact O-N 3.14Å; V255-R258 PolarHBondContact O-N 3.45Å; V255-R258 VanDerWaalsContact O-N 3.15Å; R256-R258 VanDerWaalsContact C-N 3.26Å; R256-R258 PolarHBondContact O-N 2.8Å; R258-E260 PolarHBondContact O-N 3.38Å; R258-V261 WeakPolarHBondContact O-CA 3.16Å; R258-V261 PolarHBondContact O-N 2.7Å; R258-T262 PolarHBondContact O-N 3.14Å; R258-V268 HydrophobicContact CB-CB 4.44Å; R258-V268 HydrophobicContact CB-CG1 3.85Å; R258-V268 HydrophobicContact CB-CG2 3.94Å; R258-V268 HydrophobicContact CG-CG1 4.5Å; R258-E271 WeakPolarHBondContact CD-OE2 3.47Å; R258-E271 WeakPolarHBondContact CG-OE2 3.25Å; R258-E306 IonicContact CZ-OE1 3.87Å; R258-E306 IonicContact CZ-OE2 2.85Å; R258-E306 VanDerWaalsContact NH1-CD 3.29Å; R258-E306 IonicContact NH1-OE1 3.91Å; R258-E306 PolarHBondContact NH1-OE1 2.81Å; R258-E306 IonicContact NH1-OE2 2.65Å; R258-E306 PolarHBondContact NH1-OE2 3.38Å; R258-E306 IonicContact NH2-OE1 3.84Å; R258-E306 IonicContact NH2-OE2 3.9Å; R258-E306 PolarHBondContact NH2-OE2 3.2Å
259L98.8Very high98.7Very high7 Ų737 Ų374%0.03718%0.179CC..Hα-helixtrans-64-27.9174.8-70.4174000112.9F234 V255 R256 V261 L265 V268 L289 P296F234-L259 HydrophobicContact CD1-CD1 3.76Å; F234-L259 HydrophobicContact CE1-CD1 4.17Å; F234-L259 HydrophobicContact CG-CD1 4.33Å; V255-L259 HydrophobicContact CG1-CD1 3.84Å; V255-L259 HydrophobicContact CG1-CG 4.23Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.86Å; R256-L259 PolarHBondContact O-N 2.95Å; L259-V261 PolarHBondContact O-N 3.07Å; L259-L265 HydrophobicContact CD2-CD2 3.51Å; L259-V268 HydrophobicContact CD2-CG2 4.23Å; L259-L289 HydrophobicContact CD2-CD2 4.37Å; L259-P296 HydrophobicContact CB-CB 4.07Å
260E98.7Very high98.7Very high59 Ų5933.8 Ų33.828%0.27617%0.165SC..THydrogen-bonded Turntrans-70.8-15.5170.5-71.6-175.3177.900113.5R256 R258 P296 V298 S299 A302 R305R256-E260 PolarHBondContact O-N 3.3Å; R256-E260 VanDerWaalsContact O-N 3.11Å; R258-E260 PolarHBondContact O-N 3.38Å; E260-P296 HydrophobicContact CG-CB 4.27Å; E260-V298 CarbonylContact O-C 3.58Å; E260-V298 WeakPolarHBondContact O-CA 3.18Å; E260-S299 PolarHBondContact O-N 2.84Å; E260-A302 HydrophobicContact CB-CB 3.73Å; E260-R305 IonicContact OE2-NH2 3.51Å
261V98.8Very high98.7Very high28 Ų2832 Ų3217%0.1716%0.157CC..THydrogen-bonded Turntrans-103.9-33.4-179176.20000111.9S257 R258 L259 A302 E306S257-V261 WeakPolarHBondContact O-CG2 3.46Å; R258-V261 WeakPolarHBondContact O-CA 3.16Å; R258-V261 PolarHBondContact O-N 2.7Å; L259-V261 PolarHBondContact O-N 3.07Å; V261-A302 HydrophobicContact CG2-CB 4.26Å; V261-E306 HydrophobicContact CG1-CB 4.26Å; V261-E306 HydrophobicContact CG1-CG 4.09Å; V261-E306 HydrophobicContact CG2-CB 4.17Å; V261-E306 HydrophobicContact CG2-CG 4.45Å
262T98.6Very high98.7Very high24 Ų2432 Ų3215%0.14716%0.157CC..  trans-145.6146.7-177.4-170.40000112.8R258 D264 K267 V268R258-T262 PolarHBondContact O-N 3.14Å; T262-D264 PolarHBondContact OG1-N 2.79Å; T262-K267 HydrophobicContact CG2-CD 4.25Å; T262-V268 HydrophobicContact CG2-CG2 3.65Å
263E97.8Very high98.7Very high111 Ų11132 Ų3252%0.51916%0.157SC..  trans-89.1-4.5170.7-57.7-169.3152.900112.6R23 L265 V298R23-E263 PolarHBondContact NH2-O 3.25Å; E263-L265 PolarHBondContact O-N 2.88Å; E263-V298 HydrophobicContact CG-CG2 3.49Å; E263-V298 VanDerWaalsContact CG-CG2 3.49Å
264D98.7Very high98.7Very high77 Ų7730.3 Ų30.341%0.41215%0.148SC..  trans-79.7102.1-177.5-177.4-17.4000110.4T262 E266 K267 V268T262-D264 PolarHBondContact OG1-N 2.79Å; D264-E266 VanDerWaalsContact C-N 3.32Å; D264-E266 PolarHBondContact O-N 2.89Å; D264-E266 WeakPolarHBondContact OD1-CB 3.34Å; D264-E266 PolarHBondContact OD1-N 2.85Å; D264-K267 HydrophobicContact CB-CB 3.81Å; D264-K267 VanDerWaalsContact CG-CB 3.5Å; D264-K267 WeakPolarHBondContact O-CB 3.4Å; D264-K267 PolarHBondContact O-N 2.93Å; D264-K267 PolarHBondContact OD1-N 3.03Å; D264-V268 WeakPolarHBondContact O-CG2 3.39Å; D264-V268 PolarHBondContact O-N 2.89Å
265L98.8Very high98.7Very high7 Ų730.4 Ų30.44%0.03715%0.148CC..Hα-helixtrans-73-23.2-175.9-55.6-175.5000112.9R23 L259 E263 S269 L289 C291R23-L265 HydrophobicContact CB-CD1 3.77Å; L259-L265 HydrophobicContact CD2-CD2 3.51Å; E263-L265 PolarHBondContact O-N 2.88Å; L265-S269 VanDerWaalsContact O-CB 3.31Å; L265-S269 WeakPolarHBondContact O-CB 3.47Å; L265-S269 PolarHBondContact O-N 2.67Å; L265-S269 PolarHBondContact O-OG 3.45Å; L265-L289 HydrophobicContact CD2-CD2 4.07Å; L265-C291 HydrophobicContact CD1-CB 4.19Å
266E98.7Very high98.7Very high46 Ų4630.4 Ų30.422%0.21515%0.148CC..Hα-helixtrans-69.8-43.7170.9-61.7-171.8156.500109.5N14 S15 H16 D264 S269 N270N14-E266 HydrophobicContact CB-CB 4.22Å; N14-E266 HydrophobicContact CB-CG 4.06Å; S15-E266 VanDerWaalsContact C-OE1 3.3Å; S15-E266 WeakPolarHBondContact CA-OE1 3.36Å; H16-E266 HydrophobicContact CB-CG 3.89Å; H16-E266 IonicContact CE1-OE1 3.58Å; H16-E266 IonicContact CG-OE1 2.69Å; H16-E266 PolarHBondContact N-OE1 3.09Å; H16-E266 VanDerWaalsContact ND1-CD 3.32Å; H16-E266 IonicContact ND1-OE1 3.34Å; H16-E266 PolarHBondContact ND1-OE1 3.12Å; H16-E266 IonicContact ND1-OE2 2.72Å; D264-E266 VanDerWaalsContact C-N 3.32Å; D264-E266 PolarHBondContact O-N 2.89Å; D264-E266 WeakPolarHBondContact OD1-CB 3.34Å; D264-E266 PolarHBondContact OD1-N 2.85Å; E266-S269 PolarHBondContact O-N 3.38Å; E266-N270 WeakPolarHBondContact O-CB 3.46Å; E266-N270 PolarHBondContact O-N 2.8Å; E266-N270 PolarHBondContact O-ND2 2.93Å
267K98.8Very high98.7Very high92 Ų9228.4 Ų28.440%0.414%0.141SC..Hα-helixtrans-59.6-48175.4-175.6178.9174.3-170.10111.8T262 D264 S269 N270 E271T262-K267 HydrophobicContact CG2-CD 4.25Å; D264-K267 HydrophobicContact CB-CB 3.81Å; D264-K267 VanDerWaalsContact CG-CB 3.5Å; D264-K267 WeakPolarHBondContact O-CB 3.4Å; D264-K267 PolarHBondContact O-N 2.93Å; D264-K267 PolarHBondContact OD1-N 3.03Å; K267-S269 VanDerWaalsContact C-N 3.29Å; K267-S269 PolarHBondContact O-N 2.82Å; K267-N270 PolarHBondContact O-N 2.7Å; K267-E271 WeakPolarHBondContact CE-OE1 3.3Å; K267-E271 IonicContact NZ-OE1 2.8Å; K267-E271 WeakPolarHBondContact O-CG 3.33Å; K267-E271 PolarHBondContact O-N 2.98Å
268V98.9Very high98.7Very high0 Ų028.7 Ų28.70%014%0.14CC..Hα-helixtrans-59.7-42.8176.3178.70000110.8V255 R258 L259 T262 D264 N270 E271 I272 L289V255-V268 HydrophobicContact CG1-CG1 4.46Å; R258-V268 HydrophobicContact CB-CB 4.44Å; R258-V268 HydrophobicContact CB-CG1 3.85Å; R258-V268 HydrophobicContact CB-CG2 3.94Å; R258-V268 HydrophobicContact CG-CG1 4.5Å; L259-V268 HydrophobicContact CD2-CG2 4.23Å; T262-V268 HydrophobicContact CG2-CG2 3.65Å; D264-V268 WeakPolarHBondContact O-CG2 3.39Å; D264-V268 PolarHBondContact O-N 2.89Å; V268-N270 PolarHBondContact O-N 2.81Å; V268-E271 PolarHBondContact O-N 2.71Å; V268-I272 HydrophobicContact CG1-CD1 4.41Å; V268-I272 WeakPolarHBondContact O-CG1 3.14Å; V268-I272 PolarHBondContact O-N 2.87Å; V268-L289 HydrophobicContact CB-CD2 4.01Å; V268-L289 HydrophobicContact CG1-CD2 3.62Å
269S98.9Very high98.7Very high0 Ų030 Ų300%015%0.146CC..Hα-helixtrans-62.5-41.4177.7-59.60000112.3G25 L265 E266 K267 I272 V273G25-S269 PolarHBondContact O-OG 2.95Å; L265-S269 VanDerWaalsContact O-CB 3.31Å; L265-S269 WeakPolarHBondContact O-CB 3.47Å; L265-S269 PolarHBondContact O-N 2.67Å; L265-S269 PolarHBondContact O-OG 3.45Å; E266-S269 PolarHBondContact O-N 3.38Å; K267-S269 VanDerWaalsContact C-N 3.29Å; K267-S269 PolarHBondContact O-N 2.82Å; S269-I272 WeakPolarHBondContact O-CB 3.41Å; S269-I272 PolarHBondContact O-N 3.49Å; S269-V273 WeakPolarHBondContact O-CG2 3.49Å; S269-V273 PolarHBondContact O-N 3.22Å; S269-V273 VanDerWaalsContact O-N 3.14Å
270N98.9Very high98.6Very high31 Ų3131 Ų3117%0.16616%0.159CC..Hα-helixtrans-64-41.1174.4-69.5-38.6000112.1K12 N14 S27 E266 K267 V268 I272 V273 D274K12-N270 WeakPolarHBondContact CB-OD1 3.46Å; K12-N270 WeakPolarHBondContact CD-OD1 3.49Å; K12-N270 VanDerWaalsContact CG-OD1 3.27Å; K12-N270 WeakPolarHBondContact CG-OD1 3.37Å; N14-N270 PolarHBondContact ND2-ND2 2.78Å; N14-N270 VanDerWaalsContact ND2-ND2 3.14Å; N14-N270 PolarHBondContact ND2-OD1 2.95Å; N14-N270 PolarHBondContact OD1-OD1 2.82Å; S27-N270 WeakPolarHBondContact CB-OD1 3.09Å; S27-N270 PolarHBondContact OG-OD1 3.03Å; E266-N270 WeakPolarHBondContact O-CB 3.46Å; E266-N270 PolarHBondContact O-N 2.8Å; E266-N270 PolarHBondContact O-ND2 2.93Å; K267-N270 PolarHBondContact O-N 2.7Å; V268-N270 PolarHBondContact O-N 2.81Å; N270-I272 VanDerWaalsContact C-N 3.31Å; N270-I272 PolarHBondContact O-N 3.14Å; N270-V273 PolarHBondContact O-N 3.27Å; N270-D274 WeakPolarHBondContact O-CB 3.41Å; N270-D274 PolarHBondContact O-N 2.87Å
271E98.9Very high98.6Very high44 Ų4428.5 Ų28.521%0.20615%0.148CC..Hα-helixtrans-62.2-37.7176.5-73.4172.7169.900111.7F254 R258 K267 V268 T275F254-E271 HydrophobicContact CE1-CB 4.49Å; F254-E271 HydrophobicContact CZ-CB 4.33Å; R258-E271 WeakPolarHBondContact CD-OE2 3.47Å; R258-E271 WeakPolarHBondContact CG-OE2 3.25Å; K267-E271 WeakPolarHBondContact CE-OE1 3.3Å; K267-E271 IonicContact NZ-OE1 2.8Å; K267-E271 WeakPolarHBondContact O-CG 3.33Å; K267-E271 PolarHBondContact O-N 2.98Å; V268-E271 PolarHBondContact O-N 2.71Å; E271-T275 WeakPolarHBondContact O-CB 3.39Å; E271-T275 PolarHBondContact O-N 2.83Å; E271-T275 PolarHBondContact O-OG1 3.39Å
272I98.9Very high98.6Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-61.2-52.5172.8-64.7165.3000110.5I242 L251 F254 V255 V268 S269 N270 T275 C276 V287I242-I272 HydrophobicContact CD1-CG2 4.11Å; I242-I272 HydrophobicContact CG2-CG2 4.12Å; L251-I272 HydrophobicContact CD1-CB 4.48Å; L251-I272 HydrophobicContact CD1-CD1 4.36Å; L251-I272 HydrophobicContact CD1-CG1 4.03Å; L251-I272 HydrophobicContact CD1-CG2 3.73Å; F254-I272 HydrophobicContact CD1-CG1 4.19Å; F254-I272 HydrophobicContact CE1-CG1 4.07Å; V255-I272 HydrophobicContact CG2-CD1 3.52Å; V255-I272 HydrophobicContact CG2-CG1 4.01Å; V268-I272 HydrophobicContact CG1-CD1 4.41Å; V268-I272 WeakPolarHBondContact O-CG1 3.14Å; V268-I272 PolarHBondContact O-N 2.87Å; S269-I272 WeakPolarHBondContact O-CB 3.41Å; S269-I272 PolarHBondContact O-N 3.49Å; N270-I272 VanDerWaalsContact C-N 3.31Å; N270-I272 PolarHBondContact O-N 3.14Å; I272-T275 PolarHBondContact O-N 3.04Å; I272-C276 PolarHBondContact O-N 2.87Å; I272-C276 PolarHBondContact O-SG 3.42Å; I272-V287 HydrophobicContact CD1-CG2 4.08Å; I272-V287 HydrophobicContact CG2-CG1 4.48Å
273V98.9Very high98.6Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-61.7-47.4-176.5170.70000111.6K12 M29 I242 S269 N270 C276 L277 M285 V287K12-V273 HydrophobicContact CD-CG1 4.29Å; M29-V273 HydrophobicContact CB-CG1 3.55Å; M29-V273 HydrophobicContact CE-CG1 3.41Å; M29-V273 VanDerWaalsContact CE-CG1 3.41Å; M29-V273 HydrophobicContact CG-CG1 4.24Å; M29-V273 HydrophobicContact SD-CG1 3.73Å; I242-V273 HydrophobicContact CD1-CG2 4.37Å; S269-V273 WeakPolarHBondContact O-CG2 3.49Å; S269-V273 PolarHBondContact O-N 3.22Å; S269-V273 VanDerWaalsContact O-N 3.14Å; N270-V273 PolarHBondContact O-N 3.27Å; V273-C276 PolarHBondContact O-N 3.46Å; V273-L277 PolarHBondContact O-N 2.93Å; V273-M285 HydrophobicContact CG1-CB 4.05Å; V273-M285 HydrophobicContact CG1-SD 4.3Å; V273-M285 HydrophobicContact CG2-CB 4.41Å; V273-V287 HydrophobicContact CG2-CG1 3.86Å
274D98.8Very high98.6Very high31 Ų3125.9 Ų25.917%0.16613%0.129CC..Hα-helixtrans-63.6-42.9177.4-78.5-16.1000111.4K12 N270 C276 L277 Y278K12-D274 VanDerWaalsContact CE-OD1 3.25Å; K12-D274 WeakPolarHBondContact CE-OD1 3.18Å; K12-D274 IonicContact NZ-OD1 3.96Å; K12-D274 PolarHBondContact NZ-OD1 2.83Å; K12-D274 IonicContact NZ-OD2 3.54Å; N270-D274 WeakPolarHBondContact O-CB 3.41Å; N270-D274 PolarHBondContact O-N 2.87Å; D274-C276 VanDerWaalsContact C-N 3.32Å; D274-C276 PolarHBondContact O-N 3.04Å; D274-L277 WeakPolarHBondContact O-CB 3.48Å; D274-L277 PolarHBondContact O-N 2.81Å; D274-Y278 HydrophobicContact CB-CD2 4.34Å; D274-Y278 HydrophobicContact CB-CE2 3.83Å; D274-Y278 WeakPolarHBondContact O-CB 3.43Å; D274-Y278 WeakPolarHBondContact O-CD2 3.4Å; D274-Y278 PolarHBondContact O-N 2.83Å
275T98.9Very high98.6Very high2 Ų222.2 Ų22.21%0.01211%0.109CC..Hα-helixtrans-58.9-44.1177.3-61.70000111.3M246 F254 E271 I272 Y278 K279 A354 S355M246-T275 HydrophobicContact SD-CG2 4.08Å; F254-T275 WeakPolarHBondContact CZ-OG1 3.39Å; E271-T275 WeakPolarHBondContact O-CB 3.39Å; E271-T275 PolarHBondContact O-N 2.83Å; E271-T275 PolarHBondContact O-OG1 3.39Å; I272-T275 PolarHBondContact O-N 3.04Å; T275-Y278 PolarHBondContact O-N 3.16Å; T275-K279 HydrophobicContact CG2-CD 4.13Å; T275-K279 WeakPolarHBondContact O-CG 3.48Å; T275-K279 PolarHBondContact O-N 2.88Å; T275-A354 HydrophobicContact CG2-CB 4.46Å; T275-S355 VanDerWaalsContact OG1-CA 3.28Å; T275-S355 WeakPolarHBondContact OG1-CA 3.46Å; T275-S355 VanDerWaalsContact OG1-CB 3.29Å; T275-S355 WeakPolarHBondContact OG1-CB 3.48Å
276C98.8Very high98.6Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-66.6-42.1178.9-66.30000112.1I242 V245 I272 V273 D274 Y278 K279 G280 S281 M285I242-C276 HydrophobicContact CD1-CB 3.78Å; V245-C276 HydrophobicContact CG2-CB 3.6Å; I272-C276 PolarHBondContact O-N 2.87Å; I272-C276 PolarHBondContact O-SG 3.42Å; V273-C276 PolarHBondContact O-N 3.46Å; D274-C276 VanDerWaalsContact C-N 3.32Å; D274-C276 PolarHBondContact O-N 3.04Å; C276-Y278 VanDerWaalsContact C-N 3.28Å; C276-Y278 PolarHBondContact O-N 3.04Å; C276-K279 PolarHBondContact O-N 3.27Å; C276-G280 PolarHBondContact O-N 2.86Å; C276-S281 VanDerWaalsContact O-CB 3.29Å; C276-S281 WeakPolarHBondContact O-CB 3.43Å; C276-S281 PolarHBondContact O-N 2.82Å; C276-M285 HydrophobicContact CB-SD 3.82Å
277L98.6Very high98.6Very high10 Ų1019.8 Ų19.85%0.05210%0.098CC..Hα-helixtrans-56.1-45.2172.1-178.172.5000111.2P8 M10 M29 W32 V273 D274 G280 M285P8-L277 HydrophobicContact CB-CD1 4.15Å; P8-L277 HydrophobicContact CG-CD2 4.45Å; M10-L277 HydrophobicContact CE-CD2 3.32Å; M10-L277 HydrophobicContact CG-CD2 4.17Å; M29-L277 HydrophobicContact CE-CB 3.95Å; M29-L277 HydrophobicContact CE-CD1 4.06Å; M29-L277 HydrophobicContact CE-CD2 3.83Å; M29-L277 HydrophobicContact CE-CG 4.17Å; M29-L277 HydrophobicContact SD-CD2 4.47Å; W32-L277 VanDerWaalsContact CD1-CD1 3.49Å; V273-L277 PolarHBondContact O-N 2.93Å; D274-L277 WeakPolarHBondContact O-CB 3.48Å; D274-L277 PolarHBondContact O-N 2.81Å; L277-G280 PolarHBondContact O-N 2.95Å; L277-M285 HydrophobicContact CB-CE 4.01Å; L277-M285 HydrophobicContact CB-SD 4.42Å; L277-M285 HydrophobicContact CD1-CE 3.89Å
278Y98Very high98.6Very high21 Ų2115.5 Ų15.58%0.0828%0.079CC..Hα-helixtrans-74-24.7-178.9-58.8-35.1000113.9M10 D274 T275 C276 G280 A354 R357 S358M10-Y278 HydrophobicContact CE-CE1 3.59Å; D274-Y278 HydrophobicContact CB-CD2 4.34Å; D274-Y278 HydrophobicContact CB-CE2 3.83Å; D274-Y278 WeakPolarHBondContact O-CB 3.43Å; D274-Y278 WeakPolarHBondContact O-CD2 3.4Å; D274-Y278 PolarHBondContact O-N 2.83Å; T275-Y278 PolarHBondContact O-N 3.16Å; C276-Y278 VanDerWaalsContact C-N 3.28Å; C276-Y278 PolarHBondContact O-N 3.04Å; Y278-G280 PolarHBondContact O-N 3.2Å; Y278-A354 WeakPolarHBondContact CD2-O 3.47Å; Y278-R357 VanDerWaalsContact CD1-CD 3.47Å; Y278-R357 HydrophobicContact CD1-CG 4.39Å; Y278-R357 HydrophobicContact CD2-CB 3.63Å; Y278-R357 HydrophobicContact CD2-CG 4.15Å; Y278-R357 HydrophobicContact CE1-CG 4.36Å; Y278-R357 HydrophobicContact CE2-CB 3.83Å; Y278-R357 HydrophobicContact CE2-CG 4.13Å; Y278-R357 HydrophobicContact CG-CB 4.09Å; Y278-R357 HydrophobicContact CG-CG 4.27Å; Y278-S358 WeakPolarHBondContact CE2-OG 3.11Å; Y278-S358 PolarHBondContact OH-OG 3.41Å
279K98Very high98.6Very high40 Ų4015.5 Ų15.517%0.1748%0.079CC..THydrogen-bonded Turntrans-74.4-3.3167.1-74.5174.9174.6-830113.2V245 M246 T275 C276 G350 A354V245-K279 HydrophobicContact CB-CB 3.98Å; V245-K279 HydrophobicContact CG2-CB 4.21Å; M246-K279 HydrophobicContact CG-CD 3.73Å; M246-K279 HydrophobicContact SD-CD 4.22Å; T275-K279 HydrophobicContact CG2-CD 4.13Å; T275-K279 WeakPolarHBondContact O-CG 3.48Å; T275-K279 PolarHBondContact O-N 2.88Å; C276-K279 PolarHBondContact O-N 3.27Å; K279-G350 WeakPolarHBondContact CE-O 3.37Å; K279-G350 PolarHBondContact NZ-O 3.43Å; K279-A354 HydrophobicContact CG-CB 3.74Å
280G97.6Very high98.6Very high29 Ų2915.5 Ų15.530%0.2998%0.079SC..THydrogen-bonded Turntrans104.511.7171.700000114.5C276 L277 Y278 R282C276-G280 PolarHBondContact O-N 2.86Å; L277-G280 PolarHBondContact O-N 2.95Å; Y278-G280 PolarHBondContact O-N 3.2Å; G280-R282 WeakPolarHBondContact O-CG 3.33Å; G280-R282 PolarHBondContact O-N 2.96Å
281S98.3Very high98.6Very high6 Ų614.3 Ų14.34%0.0427%0.073CC..  trans-60.4129.7170.2-179.70000109.9G241 C276G241-S281 WeakPolarHBondContact O-CB 3.25Å; G241-S281 PolarHBondContact O-OG 3.32Å; C276-S281 VanDerWaalsContact O-CB 3.29Å; C276-S281 WeakPolarHBondContact O-CB 3.43Å; C276-S281 PolarHBondContact O-N 2.82Å
282R98.2Very high98.6Very high86 Ų8612.6 Ų12.633%0.3257%0.065SC..  trans-111.513.6178.8-56.2-174.270.1171.63.4112.4F4 W32 R33 G280F4-R282 HydrophobicContact CD1-CB 4.28Å; F4-R282 HydrophobicContact CE1-CB 3.67Å; F4-R282 WeakPolarHBondContact CE1-O 3.36Å; F4-R282 HydrophobicContact CZ-CB 4.32Å; W32-R282 HydrophobicContact CB-CB 4.1Å; W32-R282 HydrophobicContact CG-CB 4.28Å; W32-R282 HydrophobicContact CG-CG 4.43Å; R33-R282 WeakPolarHBondContact CD-O 3.39Å; G280-R282 WeakPolarHBondContact O-CG 3.33Å; G280-R282 PolarHBondContact O-N 2.96Å
283D98.4Very high98.6Very high20 Ų2015.7 Ų15.711%0.1079%0.085CC..SBendtrans-98.6175.4-174.9-137.3-34.3000113.5R33 M285R33-D283 IonicContact CZ-OD1 2.74Å; R33-D283 IonicContact CZ-OD2 3.3Å; R33-D283 IonicContact NE-OD1 3.31Å; R33-D283 PolarHBondContact NE-OD1 3.39Å; R33-D283 IonicContact NE-OD2 2.64Å; R33-D283 IonicContact NH1-OD1 2.68Å; R33-D283 IonicContact NH2-OD1 2.86Å; R33-D283 PolarHBondContact NH2-OD1 3.44Å; R33-D283 IonicContact NH2-OD2 3.67Å; R33-D283 PolarHBondContact NH2-OD2 3.21Å; D283-M285 WeakPolarHBondContact O-CE 3.33Å
284N98.8Very high98.5Very high1 Ų116.7 Ų16.71%0.00510%0.096CC..  trans-60.9146.8153.2-64.8159.4000108.8Q30 R33 E35 M36 E37Q30-N284 PolarHBondContact O-ND2 3.2Å; R33-N284 WeakPolarHBondContact CB-ND2 3.39Å; E35-N284 PolarHBondContact O-ND2 2.97Å; E35-N284 PolarHBondContact O-OD1 3.06Å; M36-N284 WeakPolarHBondContact CA-OD1 3.37Å; M36-N284 HydrophobicContact SD-CB 3.86Å; M36-N284 VanDerWaalsContact SD-CG 3.57Å; E37-N284 PolarHBondContact N-OD1 3.46Å
285M98.9Very high98.5Very high0 Ų015.5 Ų15.50%09%0.091CC..EExtended strand (participates in β ladder)trans-135.6122.5-178.4-78.6168.6-88.600108.9S28 M29 G241 I242 V273 C276 L277 D283S28-M285 CarbonylContact C-O 3.51Å; S28-M285 VanDerWaalsContact CA-O 3.24Å; S28-M285 WeakPolarHBondContact CA-O 3.26Å; M29-M285 HydrophobicContact CE-CE 3.29Å; M29-M285 HydrophobicContact CE-SD 4.16Å; M29-M285 PolarHBondContact N-O 3.21Å; M29-M285 PolarHBondContact O-N 2.89Å; G241-M285 WeakPolarHBondContact O-CG 3.44Å; I242-M285 HydrophobicContact CD1-CB 3.9Å; I242-M285 HydrophobicContact CD1-CG 3.76Å; I242-M285 HydrophobicContact CD1-SD 4.1Å; I242-M285 HydrophobicContact CG1-CG 4.42Å; V273-M285 HydrophobicContact CG1-CB 4.05Å; V273-M285 HydrophobicContact CG1-SD 4.3Å; V273-M285 HydrophobicContact CG2-CB 4.41Å; C276-M285 HydrophobicContact CB-SD 3.82Å; L277-M285 HydrophobicContact CB-CE 4.01Å; L277-M285 HydrophobicContact CB-SD 4.42Å; L277-M285 HydrophobicContact CD1-CE 3.89Å; D283-M285 WeakPolarHBondContact O-CE 3.33Å
286S98.9Very high98.4Very high2 Ų216.5 Ų16.51%0.01410%0.097CC..EExtended strand (participates in β ladder)trans-132.3133.4173.4-61.80000109.7S27 S28 D38 A238 C239S27-S286 WeakPolarHBondContact O-CA 3.19Å; S28-S286 VanDerWaalsContact CB-OG 3.29Å; S28-S286 WeakPolarHBondContact CB-OG 3.49Å; D38-S286 WeakPolarHBondContact CB-OG 3.37Å; D38-S286 VanDerWaalsContact OD2-CB 3.3Å; D38-S286 WeakPolarHBondContact OD2-CB 3.44Å; D38-S286 PolarHBondContact OD2-N 3.4Å; D38-S286 PolarHBondContact OD2-OG 3.39Å; A238-S286 WeakPolarHBondContact CA-O 3.44Å; A238-S286 VanDerWaalsContact CB-O 3.3Å; A238-S286 WeakPolarHBondContact CB-O 3.35Å; C239-S286 PolarHBondContact N-O 3.23Å; C239-S286 PolarHBondContact SG-N 3.47Å
287V98.9Very high98.4Very high1 Ų122 Ų221%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-136.5138.5176.163.50000110.6L26 S27 I236 L237 A238 I272 V273L26-V287 WeakPolarHBondContact CA-O 3.49Å; L26-V287 VanDerWaalsContact CB-O 3.24Å; L26-V287 WeakPolarHBondContact CB-O 3.27Å; S27-V287 PolarHBondContact N-O 2.89Å; S27-V287 PolarHBondContact O-N 3.42Å; I236-V287 HydrophobicContact CG2-CG2 3.78Å; L237-V287 CarbonylContact O-C 3.51Å; L237-V287 VanDerWaalsContact O-CA 3.27Å; L237-V287 WeakPolarHBondContact O-CA 3.32Å; A238-V287 HydrophobicContact CB-CB 4.21Å; A238-V287 HydrophobicContact CB-CG2 4.21Å; I272-V287 HydrophobicContact CD1-CG2 4.08Å; I272-V287 HydrophobicContact CG2-CG1 4.48Å; V273-V287 HydrophobicContact CG2-CG1 3.86Å
288V98.9Very high98.4Very high1 Ų124.1 Ų24.11%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-118.8121.2167.7-174.20000108.1L26 F56 V58 L237 I290L26-V288 HydrophobicContact CB-CB 4.29Å; L26-V288 HydrophobicContact CB-CG1 4.33Å; L26-V288 HydrophobicContact CB-CG2 3.91Å; L26-V288 HydrophobicContact CD2-CG2 4.3Å; F56-V288 HydrophobicContact CB-CG1 4.38Å; F56-V288 HydrophobicContact CD1-CG1 3.98Å; F56-V288 HydrophobicContact CG-CG1 4.49Å; V58-V288 HydrophobicContact CG2-CG2 3.74Å; L237-V288 HydrophobicContact CB-CB 4.29Å; L237-V288 PolarHBondContact N-O 3.17Å; L237-V288 PolarHBondContact O-N 2.82Å; V288-I290 HydrophobicContact CB-CD1 4.33Å; V288-I290 HydrophobicContact CG1-CD1 3.68Å; V288-I290 HydrophobicContact CG1-CG1 4.02Å
289L98.9Very high98.4Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-105.9118.2175.517761.5000109.3Y24 G25 F234 I236 V255 L259 L265 V268Y24-L289 CarbonylContact C-O 3.49Å; Y24-L289 WeakPolarHBondContact CA-O 3.47Å; Y24-L289 WeakPolarHBondContact CB-O 3.34Å; G25-L289 PolarHBondContact N-O 3.07Å; G25-L289 PolarHBondContact O-N 2.87Å; F234-L289 HydrophobicContact CB-CD1 4.04Å; F234-L289 HydrophobicContact CD2-CD1 3.96Å; F234-L289 HydrophobicContact CG-CD1 4.17Å; I236-L289 HydrophobicContact CG1-CD1 4.12Å; V255-L289 HydrophobicContact CG1-CD1 3.74Å; V255-L289 HydrophobicContact CG1-CD2 4.1Å; L259-L289 HydrophobicContact CD2-CD2 4.37Å; L265-L289 HydrophobicContact CD2-CD2 4.07Å; V268-L289 HydrophobicContact CB-CD2 4.01Å; V268-L289 HydrophobicContact CG1-CD2 3.62Å
290I98.9Very high98.4Very high0 Ų028.3 Ų28.30%017%0.169CC..EExtended strand (participates in β ladder)trans-114.2114.6179.4-51.694.7000109.3L22 R23 F56 I135 F234 I235 L237 V288L22-I290 HydrophobicContact CB-CG2 4.37Å; L22-I290 HydrophobicContact CD1-CG2 4.47Å; L22-I290 HydrophobicContact CD2-CG2 4.4Å; R23-I290 CarbonylContact O-C 3.43Å; F56-I290 HydrophobicContact CB-CD1 4.16Å; F56-I290 HydrophobicContact CB-CG1 4.4Å; F56-I290 HydrophobicContact CD1-CG1 4.03Å; F56-I290 HydrophobicContact CD2-CD1 4.45Å; F56-I290 HydrophobicContact CD2-CG1 3.9Å; F56-I290 HydrophobicContact CE1-CG1 4.26Å; F56-I290 HydrophobicContact CE2-CG1 4.13Å; F56-I290 HydrophobicContact CE2-CG2 4.18Å; F56-I290 HydrophobicContact CG-CD1 4.15Å; F56-I290 HydrophobicContact CG-CG1 3.84Å; F56-I290 HydrophobicContact CZ-CG1 4.3Å; F56-I290 HydrophobicContact CZ-CG2 4.46Å; I135-I290 HydrophobicContact CD1-CG2 4.35Å; F234-I290 CarbonylContact C-O 3.53Å; F234-I290 WeakPolarHBondContact CA-O 3.24Å; F234-I290 VanDerWaalsContact CB-O 3.28Å; F234-I290 WeakPolarHBondContact CB-O 3.19Å; I235-I290 HydrophobicContact CB-CB 4.33Å; I235-I290 HydrophobicContact CB-CD1 4.14Å; I235-I290 HydrophobicContact CG2-CD1 3.92Å; I235-I290 PolarHBondContact N-O 2.78Å; I235-I290 PolarHBondContact O-N 3.36Å; L237-I290 HydrophobicContact CD1-CD1 4.32Å; L237-I290 HydrophobicContact CG-CD1 4.31Å; V288-I290 HydrophobicContact CB-CD1 4.33Å; V288-I290 HydrophobicContact CG1-CD1 3.68Å; V288-I290 HydrophobicContact CG1-CG1 4.02Å
291C98.8Very high98.5Very high7 Ų732.1 Ų32.15%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-97.6132.5178.8-72.70000111.8L22 R23 L265 A295L22-C291 WeakPolarHBondContact CA-O 3.49Å; R23-C291 PolarHBondContact N-O 2.97Å; R23-C291 PolarHBondContact O-N 3.29Å; L265-C291 HydrophobicContact CD1-CB 4.19Å; C291-A295 HydrophobicContact CB-CB 3.84Å
292F98.8Very high98.5Very high7 Ų732 Ų323%0.03118%0.179CC..  trans-89.3173.5169.6-68.3-82.8000111L22 I135 I140 L152 D232 E233 I235 G294 A295L22-F292 HydrophobicContact CD2-CD1 3.42Å; L22-F292 VanDerWaalsContact CD2-CD1 3.42Å; L22-F292 HydrophobicContact CD2-CE1 3.46Å; L22-F292 VanDerWaalsContact CD2-CE1 3.46Å; L22-F292 HydrophobicContact CD2-CG 4.25Å; L22-F292 HydrophobicContact CD2-CZ 4.31Å; I135-F292 HydrophobicContact CD1-CZ 4.19Å; I135-F292 HydrophobicContact CG2-CE1 4.42Å; I140-F292 HydrophobicContact CD1-CE1 4.34Å; I140-F292 HydrophobicContact CD1-CE2 4.25Å; I140-F292 HydrophobicContact CD1-CZ 3.64Å; I140-F292 HydrophobicContact CG1-CZ 4.08Å; L152-F292 HydrophobicContact CD1-CE2 4.16Å; D232-F292 HydrophobicContact CB-CB 4.13Å; D232-F292 HydrophobicContact CB-CD1 4.29Å; D232-F292 HydrophobicContact CB-CD2 3.88Å; D232-F292 HydrophobicContact CB-CE2 4.34Å; D232-F292 HydrophobicContact CB-CG 3.85Å; D232-F292 VanDerWaalsContact O-CB 3.25Å; D232-F292 WeakPolarHBondContact O-CB 3.49Å; E233-F292 PolarHBondContact O-N 2.97Å; I235-F292 HydrophobicContact CD1-CE2 3.55Å; I235-F292 HydrophobicContact CD1-CZ 3.63Å; I235-F292 HydrophobicContact CG1-CE2 3.84Å; I235-F292 HydrophobicContact CG1-CZ 4.43Å; F292-G294 PolarHBondContact O-N 2.77Å; F292-A295 VanDerWaalsContact O-CB 3.3Å; F292-A295 WeakPolarHBondContact O-CB 3.32Å; F292-A295 PolarHBondContact O-N 2.84Å
293P97.8Very high98.5Very high65 Ų6530.8 Ų30.842%0.42218%0.18SC..THydrogen-bonded Turntrans-57.9-31.8176-27.238.5000113.3N21 A295 K297N21-P293 HydrophobicContact CB-CG 3.97Å; N21-P293 VanDerWaalsContact O-CD 3.3Å; N21-P293 WeakPolarHBondContact O-CD 3.42Å; P293-A295 VanDerWaalsContact C-N 3.29Å; P293-A295 PolarHBondContact O-N 3.06Å; P293-K297 WeakPolarHBondContact O-CE 3.28Å; P293-K297 PolarHBondContact O-NZ 2.86Å
294G97.4Very high98.5Very high22 Ų2235 Ų3523%0.22720%0.198CC..THydrogen-bonded Turntrans-76.3-3.1177.900000115.4D232 F292D232-G294 CarbonylContact O-C 3.46Å; D232-G294 VanDerWaalsContact O-CA 3.29Å; D232-G294 WeakPolarHBondContact O-CA 3.27Å; D232-G294 PolarHBondContact O-N 3.12Å; F292-G294 PolarHBondContact O-N 2.77Å
295A98.2Very high98.4Very high6 Ų640.2 Ų40.25%0.0522%0.217CC..SBendtrans-54.3146177.300000112.2E233 C291 F292 P293 K297E233-A295 WeakPolarHBondContact O-CA 3.32Å; E233-A295 VanDerWaalsContact O-CB 3.28Å; E233-A295 WeakPolarHBondContact O-CB 3.36Å; C291-A295 HydrophobicContact CB-CB 3.84Å; F292-A295 VanDerWaalsContact O-CB 3.3Å; F292-A295 WeakPolarHBondContact O-CB 3.32Å; F292-A295 PolarHBondContact O-N 2.84Å; P293-A295 VanDerWaalsContact C-N 3.29Å; P293-A295 PolarHBondContact O-N 3.06Å; A295-K297 WeakPolarHBondContact O-CD 3.44Å; A295-K297 VanDerWaalsContact O-CE 3.3Å; A295-K297 WeakPolarHBondContact O-CE 3.2Å; A295-K297 PolarHBondContact O-N 3.05Å; A295-K297 PolarHBondContact O-NZ 3.23Å
296P98.1Very high98.4Very high22 Ų2241.3 Ų41.314%0.14322%0.222CC..  trans-47.6139.8171.4-2733.7000111.7R256 L259 E260R256-P296 HydrophobicContact CG-CG 4.28Å; L259-P296 HydrophobicContact CB-CB 4.07Å; E260-P296 HydrophobicContact CG-CB 4.27Å
297K97.9Very high98.4Very high117 Ų11744 Ų4451%0.50925%0.245SC..  trans-104.5156.7178.3-54.1-56.6176.4-159.90109.6P293 A295 S299P293-K297 WeakPolarHBondContact O-CE 3.28Å; P293-K297 PolarHBondContact O-NZ 2.86Å; A295-K297 WeakPolarHBondContact O-CD 3.44Å; A295-K297 VanDerWaalsContact O-CE 3.3Å; A295-K297 WeakPolarHBondContact O-CE 3.2Å; A295-K297 PolarHBondContact O-N 3.05Å; A295-K297 PolarHBondContact O-NZ 3.23Å; K297-S299 PolarHBondContact O-N 2.76Å
298V98.6Very high98.3Very high53 Ų5349 Ų4932%0.32127%0.268SS..  trans-57.5125.3176.3176.20000110.3E260 E263 V303E260-V298 CarbonylContact O-C 3.58Å; E260-V298 WeakPolarHBondContact O-CA 3.18Å; E263-V298 HydrophobicContact CG-CG2 3.49Å; E263-V298 VanDerWaalsContact CG-CG2 3.49Å; V298-V303 HydrophobicContact CG1-CG2 3.61Å
299S98.5Very high98.3Very high39 Ų3949.5 Ų49.527%0.27327%0.271SS..  trans-104.4121.9178.8170.80000109.1E260 K297 E301 A302 V303E260-S299 PolarHBondContact O-N 2.84Å; K297-S299 PolarHBondContact O-N 2.76Å; S299-E301 PolarHBondContact O-N 2.85Å; S299-E301 VanDerWaalsContact O-N 3.11Å; S299-E301 PolarHBondContact OG-N 2.8Å; S299-A302 PolarHBondContact O-N 2.9Å; S299-A302 PolarHBondContact OG-N 3.01Å; S299-V303 WeakPolarHBondContact O-CG2 3.25Å; S299-V303 PolarHBondContact O-N 2.86Å
300P98.4Very high98.2Very high110 Ų11051.4 Ų51.471%0.71428%0.28SS*.Hα-helixtrans-54.8-32.3176.4-27.235.1000113.2K304P300-K304 WeakPolarHBondContact O-CB 3.47Å; P300-K304 PolarHBondContact O-N 3.13Å
301E98.3Very high98.2Very high109 Ų10958 Ų5851%0.50931%0.309SS..Hα-helixtrans-73.4-38177.1-172.563.8-172.300112S299 K304 R305S299-E301 PolarHBondContact O-N 2.85Å; S299-E301 VanDerWaalsContact O-N 3.11Å; S299-E301 PolarHBondContact OG-N 2.8Å; E301-K304 PolarHBondContact O-N 3.48Å; E301-R305 WeakPolarHBondContact O-CB 3.04Å; E301-R305 VanDerWaalsContact O-CG 3.3Å; E301-R305 WeakPolarHBondContact O-CG 3.44Å; E301-R305 PolarHBondContact O-N 3.3Å
302A98.3Very high98.1Very high5 Ų562.3 Ų62.34%0.04133%0.325CS..Hα-helixtrans-66.1-43.7174.400000111.5E260 V261 S299 K304 R305 E306E260-A302 HydrophobicContact CB-CB 3.73Å; V261-A302 HydrophobicContact CG2-CB 4.26Å; S299-A302 PolarHBondContact O-N 2.9Å; S299-A302 PolarHBondContact OG-N 3.01Å; A302-K304 VanDerWaalsContact C-N 3.31Å; A302-K304 PolarHBondContact O-N 3.34Å; A302-R305 PolarHBondContact O-N 3.03Å; A302-E306 PolarHBondContact O-N 2.9Å
303V98.6Very high98.1Very high59 Ų5962 Ų6236%0.35832%0.324SS..Hα-helixtrans-58.9-43.6174.9174.70000111.4V298 S299 E306 A307V298-V303 HydrophobicContact CG1-CG2 3.61Å; S299-V303 WeakPolarHBondContact O-CG2 3.25Å; S299-V303 PolarHBondContact O-N 2.86Å; V303-E306 PolarHBondContact O-N 2.91Å; V303-A307 PolarHBondContact O-N 3.25Å; V303-A307 VanDerWaalsContact O-N 3.08Å
304K98.2Very high98Very high109 Ų10962.9 Ų62.947%0.47432%0.323SS..Hα-helixtrans-64.4-45.7177-175.3-176.2169.6-1590111.8P300 E301 A302 E306 A307 E308P300-K304 WeakPolarHBondContact O-CB 3.47Å; P300-K304 PolarHBondContact O-N 3.13Å; E301-K304 PolarHBondContact O-N 3.48Å; A302-K304 VanDerWaalsContact C-N 3.31Å; A302-K304 PolarHBondContact O-N 3.34Å; K304-E306 VanDerWaalsContact C-N 3.31Å; K304-E306 PolarHBondContact O-N 2.89Å; K304-A307 PolarHBondContact O-N 2.97Å; K304-E308 WeakPolarHBondContact CE-OE1 3.39Å; K304-E308 IonicContact NZ-OE1 3.23Å; K304-E308 WeakPolarHBondContact O-CG 3.33Å; K304-E308 PolarHBondContact O-N 3.44Å
305R97.8Very high98Very high111 Ų11164.9 Ų64.942%0.41933%0.33SS..Hα-helixtrans-59.8-40.8176.3-76.3-174.5-63.7148.50.6112E260 E301 A302 E308 L309E260-R305 IonicContact OE2-NH2 3.51Å; E301-R305 WeakPolarHBondContact O-CB 3.04Å; E301-R305 VanDerWaalsContact O-CG 3.3Å; E301-R305 WeakPolarHBondContact O-CG 3.44Å; E301-R305 PolarHBondContact O-N 3.3Å; A302-R305 PolarHBondContact O-N 3.03Å; R305-E308 PolarHBondContact O-N 3.38Å; R305-L309 WeakPolarHBondContact O-CB 3.18Å; R305-L309 PolarHBondContact O-N 3.2Å
306E98.1Very high97.9Very high23 Ų2366.2 Ų66.211%0.10733%0.334CS..Hα-helixtrans-61.5-47.4175.8-17175.2-175.500111.2R258 V261 A302 V303 K304 E308 L309 D310 K356R258-E306 IonicContact CZ-OE1 3.87Å; R258-E306 IonicContact CZ-OE2 2.85Å; R258-E306 VanDerWaalsContact NH1-CD 3.29Å; R258-E306 IonicContact NH1-OE1 3.91Å; R258-E306 PolarHBondContact NH1-OE1 2.81Å; R258-E306 IonicContact NH1-OE2 2.65Å; R258-E306 PolarHBondContact NH1-OE2 3.38Å; R258-E306 IonicContact NH2-OE1 3.84Å; R258-E306 IonicContact NH2-OE2 3.9Å; R258-E306 PolarHBondContact NH2-OE2 3.2Å; V261-E306 HydrophobicContact CG1-CB 4.26Å; V261-E306 HydrophobicContact CG1-CG 4.09Å; V261-E306 HydrophobicContact CG2-CB 4.17Å; V261-E306 HydrophobicContact CG2-CG 4.45Å; A302-E306 PolarHBondContact O-N 2.9Å; V303-E306 PolarHBondContact O-N 2.91Å; K304-E306 VanDerWaalsContact C-N 3.31Å; K304-E306 PolarHBondContact O-N 2.89Å; E306-E308 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 2.92Å; E306-L309 PolarHBondContact O-N 3.18Å; E306-D310 PolarHBondContact O-N 3.49Å; E306-K356 IonicContact OE1-NZ 3.83Å; E306-K356 PolarHBondContact OE1-NZ 2.9Å
307A98.1Very high97.8Very high58 Ų5865.2 Ų65.248%0.47933%0.327SS..Hα-helixtrans-64.5-35.8178.400000113V303 K304 K311V303-A307 PolarHBondContact O-N 3.25Å; V303-A307 VanDerWaalsContact O-N 3.08Å; K304-A307 PolarHBondContact O-N 2.97Å; A307-K311 WeakPolarHBondContact O-CB 3.21Å; A307-K311 PolarHBondContact O-N 2.72Å; A307-K311 VanDerWaalsContact O-N 3.11Å
308E98.1Very high97.6Very high107 Ų10763.1 Ų63.150%0.532%0.32SS..Hα-helixtrans-67.4-41.8174.5-73.8176.1174.300111.8K304 R305 E306 Y312K304-E308 WeakPolarHBondContact CE-OE1 3.39Å; K304-E308 IonicContact NZ-OE1 3.23Å; K304-E308 WeakPolarHBondContact O-CG 3.33Å; K304-E308 PolarHBondContact O-N 3.44Å; R305-E308 PolarHBondContact O-N 3.38Å; E306-E308 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 2.92Å; E308-Y312 WeakPolarHBondContact O-CB 3.49Å; E308-Y312 PolarHBondContact O-N 3.15Å
309L98.1Very high97.3Very high11 Ų1164.3 Ų64.36%0.05832%0.322CS..Hα-helixtrans-63.5-45.8174.9176.864.2000111.6R305 E306 K311 Y312 L313 I344 N346 L347 K356R305-L309 WeakPolarHBondContact O-CB 3.18Å; R305-L309 PolarHBondContact O-N 3.2Å; E306-L309 PolarHBondContact O-N 3.18Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 2.88Å; L309-Y312 WeakPolarHBondContact O-CB 3.44Å; L309-Y312 PolarHBondContact O-N 2.99Å; L309-Y312 VanDerWaalsContact O-N 3.15Å; L309-L313 HydrophobicContact CD1-CD1 4.3Å; L309-L313 HydrophobicContact CD1-CG 4.25Å; L309-L313 HydrophobicContact CG-CD1 4.16Å; L309-L313 HydrophobicContact CG-CG 4.5Å; L309-L313 WeakPolarHBondContact O-CG 3.33Å; L309-L313 PolarHBondContact O-N 3.47Å; L309-I344 HydrophobicContact CD1-CG2 4Å; L309-N346 WeakPolarHBondContact CD2-O 3.3Å; L309-L347 HydrophobicContact CD1-CD2 4.4Å; L309-L347 HydrophobicContact CD2-CD2 4.39Å; L309-K356 HydrophobicContact CD2-CD 4.18Å; L309-K356 HydrophobicContact CD2-CG 4.34Å
310D98Very high97.1Very high39 Ų3963 Ų6321%0.20931%0.311CS..Hα-helixtrans-59.2-47.2178.6-75.9-10.9000111.2E306 Y312 L313 E314 K356 V359E306-D310 PolarHBondContact O-N 3.49Å; D310-Y312 VanDerWaalsContact C-N 3.3Å; D310-Y312 PolarHBondContact O-N 3.3Å; D310-L313 PolarHBondContact O-N 2.84Å; D310-E314 WeakPolarHBondContact O-CB 3.33Å; D310-E314 VanDerWaalsContact O-CG 3.32Å; D310-E314 WeakPolarHBondContact O-CG 3.43Å; D310-E314 PolarHBondContact O-N 3.48Å; D310-K356 WeakPolarHBondContact OD1-CE 3.24Å; D310-K356 IonicContact OD1-NZ 3.79Å; D310-K356 PolarHBondContact OD1-NZ 3.32Å; D310-K356 IonicContact OD2-NZ 2.62Å; D310-V359 HydrophobicContact CB-CG1 4.24Å
311K97.8Very high96.6Very high140 Ų14059.1 Ų59.161%0.60928%0.284SS*.Hα-helixtrans-63.2-36176.3-173175.6-177.3178.60112.8A307 L309 T315A307-K311 WeakPolarHBondContact O-CB 3.21Å; A307-K311 PolarHBondContact O-N 2.72Å; A307-K311 VanDerWaalsContact O-N 3.11Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 2.88Å; K311-T315 PolarHBondContact O-N 3.24Å; K311-T315 VanDerWaalsContact O-N 3.1Å; K311-T315 PolarHBondContact O-OG1 3.48Å
312Y97.6Very high96Very high96 Ų9660.8 Ų60.838%0.37629%0.29SS..Hα-helixtrans-63.3-50.3174.2175.9-90.4000110.5E308 L309 D310 E314 T315 R316 I344E308-Y312 WeakPolarHBondContact O-CB 3.49Å; E308-Y312 PolarHBondContact O-N 3.15Å; L309-Y312 WeakPolarHBondContact O-CB 3.44Å; L309-Y312 PolarHBondContact O-N 2.99Å; L309-Y312 VanDerWaalsContact O-N 3.15Å; D310-Y312 VanDerWaalsContact C-N 3.3Å; D310-Y312 PolarHBondContact O-N 3.3Å; Y312-E314 PolarHBondContact O-N 2.84Å; Y312-T315 PolarHBondContact O-N 3.47Å; Y312-T315 VanDerWaalsContact O-N 3.17Å; Y312-R316 HydrophobicContact CD1-CG 3.92Å; Y312-R316 HydrophobicContact CE1-CG 3.44Å; Y312-R316 VanDerWaalsContact CE1-CG 3.44Å; Y312-R316 HydrophobicContact CE2-CG 4.3Å; Y312-R316 WeakPolarHBondContact O-CG 3.36Å; Y312-R316 PolarHBondContact O-N 2.81Å; Y312-I344 HydrophobicContact CD1-CG2 4.2Å; Y312-I344 HydrophobicContact CE1-CG1 4.25Å; Y312-I344 HydrophobicContact CE1-CG2 3.92Å
313L97.7Very high95.2Very high0 Ų068.1 Ų68.10%032%0.321CS..Hα-helixtrans-60.9-43.5178.5-69.3173.7000111.8L309 D310 T315 R316 V317 I344 L353 K356 I360L309-L313 HydrophobicContact CD1-CD1 4.3Å; L309-L313 HydrophobicContact CD1-CG 4.25Å; L309-L313 HydrophobicContact CG-CD1 4.16Å; L309-L313 HydrophobicContact CG-CG 4.5Å; L309-L313 WeakPolarHBondContact O-CG 3.33Å; L309-L313 PolarHBondContact O-N 3.47Å; D310-L313 PolarHBondContact O-N 2.84Å; L313-T315 VanDerWaalsContact C-N 3.32Å; L313-T315 PolarHBondContact O-N 3.32Å; L313-R316 PolarHBondContact O-N 3.02Å; L313-V317 VanDerWaalsContact O-CG2 3.27Å; L313-V317 WeakPolarHBondContact O-CG2 3.28Å; L313-V317 PolarHBondContact O-N 3.34Å; L313-I344 HydrophobicContact CD2-CD1 3.81Å; L313-I344 HydrophobicContact CD2-CG2 4.3Å; L313-L353 HydrophobicContact CD2-CD1 4.43Å; L313-K356 HydrophobicContact CD1-CB 3.67Å; L313-K356 HydrophobicContact CD1-CG 4Å; L313-I360 HydrophobicContact CB-CG1 4.41Å; L313-I360 HydrophobicContact CD1-CD1 4.46Å; L313-I360 HydrophobicContact CD1-CG1 4.37Å; L313-I360 HydrophobicContact CD2-CD1 4.43Å
314E97Very high93.8Very high85 Ų8567.8 Ų67.840%0.39732%0.315SS..Hα-helixtrans-50.9-51.7171.8-80175.3-18000111.6D310 Y312 R316 V317 E318 V363D310-E314 WeakPolarHBondContact O-CB 3.33Å; D310-E314 VanDerWaalsContact O-CG 3.32Å; D310-E314 WeakPolarHBondContact O-CG 3.43Å; D310-E314 PolarHBondContact O-N 3.48Å; Y312-E314 PolarHBondContact O-N 2.84Å; E314-R316 PolarHBondContact O-N 3.2Å; E314-V317 PolarHBondContact O-N 2.91Å; E314-E318 PolarHBondContact O-N 3.37Å; E314-V363 HydrophobicContact CB-CG2 4.3Å; E314-V363 HydrophobicContact CG-CG2 3.45Å; E314-V363 VanDerWaalsContact CG-CG2 3.45Å
315T96.4Very high92.2Very high64 Ų6465.4 Ų65.439%0.39332%0.322SS..Hα-helixtrans-64-41.9-179.6-54.30000111.4K311 Y312 L313 E318 E319K311-T315 PolarHBondContact O-N 3.24Å; K311-T315 VanDerWaalsContact O-N 3.1Å; K311-T315 PolarHBondContact O-OG1 3.48Å; Y312-T315 PolarHBondContact O-N 3.47Å; Y312-T315 VanDerWaalsContact O-N 3.17Å; L313-T315 VanDerWaalsContact C-N 3.32Å; L313-T315 PolarHBondContact O-N 3.32Å; T315-E318 PolarHBondContact O-N 2.87Å; T315-E319 WeakPolarHBondContact O-CG 3.43Å; T315-E319 PolarHBondContact O-N 2.83Å
316R96Very high90.2Very high34 Ų3468.9 Ų68.913%0.12835%0.349CS..Hα-helixtrans-62.6-45177.2-67.9-53.8-57.5133.811.4111.8Y312 L313 E314 E318 E319 I320 L339 E342Y312-R316 HydrophobicContact CD1-CG 3.92Å; Y312-R316 HydrophobicContact CE1-CG 3.44Å; Y312-R316 VanDerWaalsContact CE1-CG 3.44Å; Y312-R316 HydrophobicContact CE2-CG 4.3Å; Y312-R316 WeakPolarHBondContact O-CG 3.36Å; Y312-R316 PolarHBondContact O-N 2.81Å; L313-R316 PolarHBondContact O-N 3.02Å; E314-R316 PolarHBondContact O-N 3.2Å; R316-E318 VanDerWaalsContact C-N 3.34Å; R316-E318 PolarHBondContact O-N 2.9Å; R316-E319 IonicContact CZ-OE2 2.75Å; R316-E319 VanDerWaalsContact NH1-CD 3.27Å; R316-E319 IonicContact NH1-OE1 3.5Å; R316-E319 IonicContact NH1-OE2 2.96Å; R316-E319 PolarHBondContact NH1-OE2 2.92Å; R316-E319 PolarHBondContact O-N 3.28Å; R316-I320 VanDerWaalsContact O-CG1 3.25Å; R316-I320 WeakPolarHBondContact O-CG1 3.45Å; R316-I320 PolarHBondContact O-N 3.1Å; R316-L339 HydrophobicContact CB-CD2 3.66Å; R316-L339 HydrophobicContact CG-CD2 4.34Å; R316-E342 IonicContact CZ-OE1 3.61Å; R316-E342 IonicContact CZ-OE2 3.9Å; R316-E342 IonicContact NE-OE1 3.83Å; R316-E342 IonicContact NE-OE2 3.94Å; R316-E342 PolarHBondContact NE-OE2 3.45Å; R316-E342 IonicContact NH2-OE1 2.95Å; R316-E342 PolarHBondContact NH2-OE1 2.9Å; R316-E342 IonicContact NH2-OE2 3.42Å; R316-E342 PolarHBondContact NH2-OE2 2.85Å
317V95.4Very high88.6Confident0 Ų076.2 Ų76.20%038%0.383CS..Hα-helixtrans-60.2-45.2177.61730000110.7L313 E314 E319 I320 I321 V335 L339 I360 V363 L367L313-V317 VanDerWaalsContact O-CG2 3.27Å; L313-V317 WeakPolarHBondContact O-CG2 3.28Å; L313-V317 PolarHBondContact O-N 3.34Å; E314-V317 PolarHBondContact O-N 2.91Å; V317-E319 VanDerWaalsContact C-N 3.32Å; V317-E319 PolarHBondContact O-N 2.84Å; V317-I320 PolarHBondContact O-N 2.84Å; V317-I321 HydrophobicContact CG1-CD1 3.99Å; V317-I321 WeakPolarHBondContact O-CG1 3.49Å; V317-I321 PolarHBondContact O-N 2.69Å; V317-V335 HydrophobicContact CG1-CG1 4.42Å; V317-V335 HydrophobicContact CG2-CG1 4.14Å; V317-L339 HydrophobicContact CG2-CD1 4.08Å; V317-I360 HydrophobicContact CG2-CB 4.44Å; V317-I360 HydrophobicContact CG2-CG1 4.48Å; V317-I360 HydrophobicContact CG2-CG2 3.78Å; V317-V363 HydrophobicContact CB-CG1 4.07Å; V317-V363 HydrophobicContact CG1-CB 4.31Å; V317-V363 HydrophobicContact CG1-CG1 3.85Å; V317-L367 HydrophobicContact CG1-CD1 4.21Å
318E94.1Very high87.5Confident74 Ų7475.4 Ų75.435%0.34638%0.38SS..Hα-helixtrans-57.6-43.7174.6-77.9-170-160.400112.7E314 T315 R316 K322 L367E314-E318 PolarHBondContact O-N 3.37Å; T315-E318 PolarHBondContact O-N 2.87Å; R316-E318 VanDerWaalsContact C-N 3.34Å; R316-E318 PolarHBondContact O-N 2.9Å; E318-K322 WeakPolarHBondContact O-CB 3.4Å; E318-K322 WeakPolarHBondContact O-CD 3.29Å; E318-K322 WeakPolarHBondContact O-CG 3.4Å; E318-K322 PolarHBondContact O-N 2.95Å; E318-K322 IonicContact OE2-NZ 2.69Å; E318-K322 PolarHBondContact OE2-NZ 3.17Å; E318-L367 HydrophobicContact CB-CD1 4.37Å; E318-L367 HydrophobicContact CG-CD1 3.65Å; E318-L367 HydrophobicContact CG-CD2 4.33Å
319E93.9Very high86.7Confident78 Ų7874 Ų7436%0.36438%0.379SS..Hα-helixtrans-67.6-40.4179.1-75.6-173.2-151.600113T315 R316 V317 K322 K323T315-E319 WeakPolarHBondContact O-CG 3.43Å; T315-E319 PolarHBondContact O-N 2.83Å; R316-E319 IonicContact CZ-OE2 2.75Å; R316-E319 VanDerWaalsContact NH1-CD 3.27Å; R316-E319 IonicContact NH1-OE1 3.5Å; R316-E319 IonicContact NH1-OE2 2.96Å; R316-E319 PolarHBondContact NH1-OE2 2.92Å; R316-E319 PolarHBondContact O-N 3.28Å; V317-E319 VanDerWaalsContact C-N 3.32Å; V317-E319 PolarHBondContact O-N 2.84Å; E319-K322 PolarHBondContact O-N 3.19Å; E319-K323 WeakPolarHBondContact O-CB 3.45Å; E319-K323 WeakPolarHBondContact O-CG 3.44Å; E319-K323 PolarHBondContact O-N 3.16Å
320I92.5Very high86.2Confident11 Ų1173.9 Ų73.96%0.05638%0.379CS..Hα-helixtrans-62.2-46.5178.2-68.5163.7000109.8R316 V317 K322 K323 P330 V335 T338 L339R316-I320 VanDerWaalsContact O-CG1 3.25Å; R316-I320 WeakPolarHBondContact O-CG1 3.45Å; R316-I320 PolarHBondContact O-N 3.1Å; V317-I320 PolarHBondContact O-N 2.84Å; I320-K322 PolarHBondContact O-N 3.32Å; I320-K323 PolarHBondContact O-N 2.92Å; I320-P330 HydrophobicContact CG2-CG 4.43Å; I320-V335 HydrophobicContact CD1-CG1 4.39Å; I320-V335 HydrophobicContact CG2-CG2 4.05Å; I320-T338 HydrophobicContact CD1-CG2 3.78Å; I320-T338 HydrophobicContact CG1-CG2 3.94Å; I320-T338 HydrophobicContact CG2-CG2 4.45Å; I320-L339 HydrophobicContact CD1-CD2 3.71Å; I320-L339 HydrophobicContact CD1-CG 3.85Å
321I89.3Confident85.9Confident29 Ų2975.1 Ų75.115%0.14939%0.385CS..Hα-helixtrans-64.9-40.3178.3-66.4176.9000111.2V317 V329 Y364 L367V317-I321 HydrophobicContact CG1-CD1 3.99Å; V317-I321 WeakPolarHBondContact O-CG1 3.49Å; V317-I321 PolarHBondContact O-N 2.69Å; I321-V329 HydrophobicContact CG2-CG1 4.22Å; I321-Y364 HydrophobicContact CD1-CD2 3.83Å; I321-Y364 HydrophobicContact CD1-CE2 4.21Å; I321-L367 HydrophobicContact CD1-CB 3.8Å; I321-L367 HydrophobicContact CD1-CD1 3.76Å; I321-L367 HydrophobicContact CD1-CG 4.45Å
322K85.8Confident85.6Confident143 Ų14368.8 Ų68.862%0.62236%0.358SS*.Hα-helixtrans-70.6-32.2179.6-73.3166.5-172.5159.90113.4E318 E319 I320 Q324E318-K322 WeakPolarHBondContact O-CB 3.4Å; E318-K322 WeakPolarHBondContact O-CD 3.29Å; E318-K322 WeakPolarHBondContact O-CG 3.4Å; E318-K322 PolarHBondContact O-N 2.95Å; E318-K322 IonicContact OE2-NZ 2.69Å; E318-K322 PolarHBondContact OE2-NZ 3.17Å; E319-K322 PolarHBondContact O-N 3.19Å; I320-K322 PolarHBondContact O-N 3.32Å; K322-Q324 PolarHBondContact O-N 3.25Å
323K80.6Confident85.3Confident160 Ų16066 Ų6670%0.69635%0.351SS*.Hα-helixtrans-71.1-22.5-174.7-90.2-178.7178174.80114.6E319 I320 G325E319-K323 WeakPolarHBondContact O-CB 3.45Å; E319-K323 WeakPolarHBondContact O-CG 3.44Å; E319-K323 PolarHBondContact O-N 3.16Å; I320-K323 PolarHBondContact O-N 2.92Å; K323-G325 VanDerWaalsContact C-N 3.28Å; K323-G325 PolarHBondContact O-N 2.99Å
324Q69Low85.1Confident51 Ų5169.3 Ų69.324%0.23837%0.366CS..THydrogen-bonded Turntrans-77.8-4.2-176.3-78.6-158.7-11.700115.3K322 D326 E327 G328 P330 H334K322-Q324 PolarHBondContact O-N 3.25Å; Q324-D326 PolarHBondContact O-N 2.73Å; Q324-E327 PolarHBondContact O-N 2.99Å; Q324-E327 VanDerWaalsContact O-N 3.1Å; Q324-G328 PolarHBondContact OE1-O 3.12Å; Q324-P330 HydrophobicContact CG-CG 4.48Å; Q324-H334 PolarHBondContact NE2-CD2 3.49Å; Q324-H334 PolarHBondContact NE2-NE2 3.3Å
325G64.5Low85Confident60 Ų6065.2 Ų65.262%0.61935%0.347SS*.G310 helixtrans51-126.1166.700000114.3K323 E327K323-G325 VanDerWaalsContact C-N 3.28Å; K323-G325 PolarHBondContact O-N 2.99Å; G325-E327 VanDerWaalsContact C-N 3.33Å; G325-E327 PolarHBondContact O-N 3.03Å
326D56.3Low84.9Confident183 Ų18363.1 Ų63.198%0.97933%0.333SS*.G310 helixtrans-78.4-3.6-177.1-71.4-31.4000114.6Q324 G328Q324-D326 PolarHBondContact O-N 2.73Å; D326-G328 VanDerWaalsContact C-N 3.35Å
327E64.8Low84.9Confident178 Ų17868 Ų6883%0.83235%0.352SS*.G310 helixtrans-85.5-2.5-176.6-67.7-172.3163.800114.1Q324 G325Q324-E327 PolarHBondContact O-N 2.99Å; Q324-E327 VanDerWaalsContact O-N 3.1Å; G325-E327 VanDerWaalsContact C-N 3.33Å; G325-E327 PolarHBondContact O-N 3.03Å
328G74.8Confident84.9Confident40 Ų4069.7 Ų69.741%0.41236%0.362SS..  trans99.8168.3-179.100000113.3Q324 D326Q324-G328 PolarHBondContact OE1-O 3.12Å; D326-G328 VanDerWaalsContact C-N 3.35Å
329V82.1Confident85Confident79 Ų7966.2 Ų66.248%0.47935%0.345SS..PPolyproline II helixtrans-80.3126.3178.2179.60000108.7I321 N368I321-V329 HydrophobicContact CG2-CG1 4.22Å; V329-N368 HydrophobicContact CG1-CB 4.22Å
330P87.7Confident85Confident7 Ų765.5 Ų65.55%0.04535%0.353CS..PPolyproline II helixtrans-63.7147.317923.9-29.9000110.6I320 Q324 H334 V335 Y364I320-P330 HydrophobicContact CG2-CG 4.43Å; Q324-P330 HydrophobicContact CG-CG 4.48Å; P330-H334 HydrophobicContact CB-CB 4Å; P330-V335 HydrophobicContact CB-CG2 4.31Å; P330-V335 HydrophobicContact CG-CG2 4.01Å; P330-Y364 VanDerWaalsContact O-CE2 3.23Å; P330-Y364 WeakPolarHBondContact O-CE2 3.26Å; P330-Y364 PolarHBondContact O-OH 2.9Å
331D90.6Very high85.1Confident65 Ų6569.6 Ų69.635%0.34838%0.383SS..PPolyproline II helixtrans-68.8165.2169.365.526.1000111.5V333 H334 V335 Y364D331-V333 PolarHBondContact O-N 3.16Å; D331-V333 PolarHBondContact OD1-N 3.17Å; D331-H334 PolarHBondContact O-N 3.1Å; D331-H334 VanDerWaalsContact OD1-CB 3.3Å; D331-H334 WeakPolarHBondContact OD1-CB 3.37Å; D331-H334 PolarHBondContact OD1-N 3.44Å; D331-V335 PolarHBondContact O-N 3.37Å; D331-V335 VanDerWaalsContact O-N 3.11Å; D331-Y364 WeakPolarHBondContact CA-OH 3.35Å
332L92.3Very high85.3Confident7 Ų770.5 Ų70.54%0.03739%0.386CS..Hα-helixtrans-60.8-33-179.1179.961.7000112H334 V335 M336 I360 E361 Y364L332-H334 VanDerWaalsContact C-N 3.35Å; L332-H334 PolarHBondContact O-N 2.89Å; L332-V335 PolarHBondContact O-N 3.42Å; L332-M336 HydrophobicContact CD1-CG 4.28Å; L332-M336 HydrophobicContact CG-CG 4.36Å; L332-M336 WeakPolarHBondContact O-CB 3.33Å; L332-M336 VanDerWaalsContact O-CG 3.31Å; L332-M336 WeakPolarHBondContact O-CG 3.11Å; L332-M336 PolarHBondContact O-N 3.44Å; L332-I360 HydrophobicContact CD1-CG2 4.19Å; L332-E361 HydrophobicContact CD1-CB 4.49Å; L332-E361 HydrophobicContact CD2-CB 3.98Å; L332-E361 HydrophobicContact CD2-CG 3.7Å; L332-Y364 HydrophobicContact CB-CD1 4.18Å; L332-Y364 HydrophobicContact CB-CE1 4.12Å; L332-Y364 HydrophobicContact CB-CG 4.46Å; L332-Y364 HydrophobicContact CD1-CD1 4.24Å; L332-Y364 HydrophobicContact CD1-CD2 4.24Å; L332-Y364 HydrophobicContact CD1-CG 3.87Å
333V91.1Very high85.6Confident39 Ų3969.6 Ų69.624%0.23640%0.398CS..Hα-helixtrans-62.5-44.8178.2177.90000110.2D331 M336 R337D331-V333 PolarHBondContact O-N 3.16Å; D331-V333 PolarHBondContact OD1-N 3.17Å; V333-M336 PolarHBondContact O-N 2.94Å; V333-R337 WeakPolarHBondContact O-CB 3.34Å; V333-R337 PolarHBondContact O-N 3.36Å
334H92.4Very high86.3Confident68 Ų6862.8 Ų62.832%0.31537%0.369SS..Hα-helixtrans-64.8-40.1176.1-173.186.8000112.3Q324 P330 D331 L332 R337 T338Q324-H334 PolarHBondContact NE2-CD2 3.49Å; Q324-H334 PolarHBondContact NE2-NE2 3.3Å; P330-H334 HydrophobicContact CB-CB 4Å; D331-H334 PolarHBondContact O-N 3.1Å; D331-H334 VanDerWaalsContact OD1-CB 3.3Å; D331-H334 WeakPolarHBondContact OD1-CB 3.37Å; D331-H334 PolarHBondContact OD1-N 3.44Å; L332-H334 VanDerWaalsContact C-N 3.35Å; L332-H334 PolarHBondContact O-N 2.89Å; H334-R337 PolarHBondContact O-N 3.25Å; H334-T338 WeakPolarHBondContact O-CB 3.35Å; H334-T338 PolarHBondContact O-N 3.43Å; H334-T338 PolarHBondContact O-OG1 3.27Å
335V94.7Very high87.3Confident0 Ų064 Ų640%038%0.381CS..Hα-helixtrans-61.5-48174.7175.10000110.7V317 I320 P330 D331 L332 R337 T338 L339 I360 Y364V317-V335 HydrophobicContact CG1-CG1 4.42Å; V317-V335 HydrophobicContact CG2-CG1 4.14Å; I320-V335 HydrophobicContact CD1-CG1 4.39Å; I320-V335 HydrophobicContact CG2-CG2 4.05Å; P330-V335 HydrophobicContact CB-CG2 4.31Å; P330-V335 HydrophobicContact CG-CG2 4.01Å; D331-V335 PolarHBondContact O-N 3.37Å; D331-V335 VanDerWaalsContact O-N 3.11Å; L332-V335 PolarHBondContact O-N 3.42Å; V335-R337 PolarHBondContact O-N 2.95Å; V335-T338 WeakPolarHBondContact O-CB 3.49Å; V335-T338 PolarHBondContact O-N 2.88Å; V335-L339 HydrophobicContact CG1-CD1 4.15Å; V335-L339 WeakPolarHBondContact O-CG 3.39Å; V335-L339 PolarHBondContact O-N 3.42Å; V335-I360 HydrophobicContact CG1-CG2 4.31Å; V335-Y364 HydrophobicContact CG2-CD2 3.9Å; V335-Y364 HydrophobicContact CG2-CE2 3.85Å
336M96.2Very high88.7Confident19 Ų1967 Ų679%0.09438%0.383CS..Hα-helixtrans-60.5-43.4177.3-71-62.2-64.800111.9L332 V333 T338 L339 A340 L353 R357 I360L332-M336 HydrophobicContact CD1-CG 4.28Å; L332-M336 HydrophobicContact CG-CG 4.36Å; L332-M336 WeakPolarHBondContact O-CB 3.33Å; L332-M336 VanDerWaalsContact O-CG 3.31Å; L332-M336 WeakPolarHBondContact O-CG 3.11Å; L332-M336 PolarHBondContact O-N 3.44Å; V333-M336 PolarHBondContact O-N 2.94Å; M336-T338 VanDerWaalsContact C-N 3.32Å; M336-T338 PolarHBondContact O-N 3.42Å; M336-L339 PolarHBondContact O-N 3.14Å; M336-A340 WeakPolarHBondContact O-CB 3.44Å; M336-A340 PolarHBondContact O-N 2.93Å; M336-L353 HydrophobicContact CE-CD2 4.11Å; M336-L353 HydrophobicContact CE-CG 3.94Å; M336-R357 HydrophobicContact CE-CB 3.95Å; M336-R357 HydrophobicContact CE-CG 4.13Å; M336-R357 HydrophobicContact SD-CB 4.48Å; M336-R357 HydrophobicContact SD-CG 4.24Å; M336-I360 HydrophobicContact CE-CD1 4.17Å; M336-I360 HydrophobicContact SD-CB 4.1Å; M336-I360 HydrophobicContact SD-CD1 3.69Å; M336-I360 HydrophobicContact SD-CG1 4.48Å; M336-I360 HydrophobicContact SD-CG2 3.63Å
337R94.3Very high90.7Very high138 Ų13859.9 Ų59.952%0.52135%0.345SS..Hα-helixtrans-62.4-39.6176.2-173-177.5-64.9159.7-0.4112.1V333 H334 V335 A340 S341V333-R337 WeakPolarHBondContact O-CB 3.34Å; V333-R337 PolarHBondContact O-N 3.36Å; H334-R337 PolarHBondContact O-N 3.25Å; V335-R337 PolarHBondContact O-N 2.95Å; R337-A340 PolarHBondContact O-N 3.07Å; R337-S341 PolarHBondContact O-N 3.25Å; R337-S341 VanDerWaalsContact O-N 3.07Å
338T95.3Very high92.2Very high34 Ų3451.6 Ų51.621%0.20931%0.307CS..Hα-helixtrans-63.8-49176.8-56.60000110.4I320 H334 V335 M336 A340 S341 E342I320-T338 HydrophobicContact CD1-CG2 3.78Å; I320-T338 HydrophobicContact CG1-CG2 3.94Å; I320-T338 HydrophobicContact CG2-CG2 4.45Å; H334-T338 WeakPolarHBondContact O-CB 3.35Å; H334-T338 PolarHBondContact O-N 3.43Å; H334-T338 PolarHBondContact O-OG1 3.27Å; V335-T338 WeakPolarHBondContact O-CB 3.49Å; V335-T338 PolarHBondContact O-N 2.88Å; M336-T338 VanDerWaalsContact C-N 3.32Å; M336-T338 PolarHBondContact O-N 3.42Å; T338-A340 VanDerWaalsContact C-N 3.32Å; T338-A340 PolarHBondContact O-N 2.89Å; T338-S341 PolarHBondContact O-N 3.46Å; T338-S341 VanDerWaalsContact O-N 3.12Å; T338-S341 PolarHBondContact O-OG 3.31Å; T338-E342 PolarHBondContact O-N 3.36Å
339L96.6Very high93.4Very high1 Ų152.3 Ų52.31%0.00530%0.304CS..Hα-helixtrans-60.8-39176.3-69.3171.6000112.4R316 V317 I320 V335 M336 S341 E342 I344 L353 I360R316-L339 HydrophobicContact CB-CD2 3.66Å; R316-L339 HydrophobicContact CG-CD2 4.34Å; V317-L339 HydrophobicContact CG2-CD1 4.08Å; I320-L339 HydrophobicContact CD1-CD2 3.71Å; I320-L339 HydrophobicContact CD1-CG 3.85Å; V335-L339 HydrophobicContact CG1-CD1 4.15Å; V335-L339 WeakPolarHBondContact O-CG 3.39Å; V335-L339 PolarHBondContact O-N 3.42Å; M336-L339 PolarHBondContact O-N 3.14Å; L339-S341 VanDerWaalsContact C-N 3.27Å; L339-S341 PolarHBondContact O-N 2.74Å; L339-E342 WeakPolarHBondContact O-CB 3.34Å; L339-E342 PolarHBondContact O-N 3.02Å; L339-E342 VanDerWaalsContact O-N 3.1Å; L339-I344 HydrophobicContact CB-CD1 4Å; L339-I344 HydrophobicContact CD2-CD1 3.97Å; L339-I344 WeakPolarHBondContact O-CD1 3.49Å; L339-L353 HydrophobicContact CB-CD1 4.34Å; L339-L353 HydrophobicContact CB-CD2 3.91Å; L339-I360 HydrophobicContact CD1-CD1 3.67Å; L339-I360 HydrophobicContact CD1-CG1 3.94Å; L339-I360 HydrophobicContact CD1-CG2 3.88Å
340A94.9Very high94Very high64 Ų6449 Ų4953%0.52929%0.286SS..Hα-helixtrans-65.8-28.7176.800000113.1M336 R337 T338 E342 L353M336-A340 WeakPolarHBondContact O-CB 3.44Å; M336-A340 PolarHBondContact O-N 2.93Å; R337-A340 PolarHBondContact O-N 3.07Å; T338-A340 VanDerWaalsContact C-N 3.32Å; T338-A340 PolarHBondContact O-N 2.89Å; A340-E342 VanDerWaalsContact C-N 3.27Å; A340-L353 HydrophobicContact CB-CD2 3.84Å
341S93.8Very high94.5Very high97 Ų9748.6 Ų48.668%0.67828%0.283SS*.Hα-helixtrans-76.9-13.8174.476.60000113.4R337 T338 L339R337-S341 PolarHBondContact O-N 3.25Å; R337-S341 VanDerWaalsContact O-N 3.07Å; T338-S341 PolarHBondContact O-N 3.46Å; T338-S341 VanDerWaalsContact O-N 3.12Å; T338-S341 PolarHBondContact O-OG 3.31Å; L339-S341 VanDerWaalsContact C-N 3.27Å; L339-S341 PolarHBondContact O-N 2.74Å
342E94.6Very high94.8Very high47 Ų4749.7 Ų49.722%0.2229%0.286CS..SBendtrans-88.7142.4176-65.3176.8-162.700110.7R316 T338 L339 A340 I344R316-E342 IonicContact CZ-OE1 3.61Å; R316-E342 IonicContact CZ-OE2 3.9Å; R316-E342 IonicContact NE-OE1 3.83Å; R316-E342 IonicContact NE-OE2 3.94Å; R316-E342 PolarHBondContact NE-OE2 3.45Å; R316-E342 IonicContact NH2-OE1 2.95Å; R316-E342 PolarHBondContact NH2-OE1 2.9Å; R316-E342 IonicContact NH2-OE2 3.42Å; R316-E342 PolarHBondContact NH2-OE2 2.85Å; T338-E342 PolarHBondContact O-N 3.36Å; L339-E342 WeakPolarHBondContact O-CB 3.34Å; L339-E342 PolarHBondContact O-N 3.02Å; L339-E342 VanDerWaalsContact O-N 3.1Å; A340-E342 VanDerWaalsContact C-N 3.27Å; E342-I344 VanDerWaalsContact C-N 3.28Å; E342-I344 HydrophobicContact CB-CG1 4.02Å; E342-I344 PolarHBondContact O-N 2.6Å
343S91.8Very high95.1Very high125 Ų12550 Ų5087%0.87429%0.288SS*.  trans-7978.2171.5-560000110.5P345S343-P345 WeakPolarHBondContact O-CD 3.04Å
344I94.8Very high95.4Very high17 Ų1748.2 Ų48.29%0.08728%0.277CS..  trans-77.9116.4179-56.4178.7000109.2L309 Y312 L313 L339 E342 L347 L353L309-I344 HydrophobicContact CD1-CG2 4Å; Y312-I344 HydrophobicContact CD1-CG2 4.2Å; Y312-I344 HydrophobicContact CE1-CG1 4.25Å; Y312-I344 HydrophobicContact CE1-CG2 3.92Å; L313-I344 HydrophobicContact CD2-CD1 3.81Å; L313-I344 HydrophobicContact CD2-CG2 4.3Å; L339-I344 HydrophobicContact CB-CD1 4Å; L339-I344 HydrophobicContact CD2-CD1 3.97Å; L339-I344 WeakPolarHBondContact O-CD1 3.49Å; E342-I344 VanDerWaalsContact C-N 3.28Å; E342-I344 HydrophobicContact CB-CG1 4.02Å; E342-I344 PolarHBondContact O-N 2.6Å; I344-L347 HydrophobicContact CB-CD1 4.32Å; I344-L347 HydrophobicContact CB-CG 4.39Å; I344-L347 HydrophobicContact CG2-CD2 4.08Å; I344-L347 HydrophobicContact CG2-CG 4.17Å; I344-L353 HydrophobicContact CD1-CD1 4.19Å
345P89.8Confident95.7Very high76 Ų7646 Ų4649%0.49427%0.269SS..THydrogen-bonded Turntrans-76.4157.9-179.532.5-35.3000111.7S343 L347S343-P345 WeakPolarHBondContact O-CD 3.04Å; P345-L347 VanDerWaalsContact C-N 3.3Å; P345-L347 PolarHBondContact O-N 2.98Å
346N93.4Very high95.9Very high122 Ų12246.2 Ų46.265%0.65227%0.27SS*.THydrogen-bonded Turntrans62.725.5170.3-49.7-52.2000115.8L309L309-N346 WeakPolarHBondContact CD2-O 3.3Å
347L98Very high96Very high35 Ų3547.5 Ų47.518%0.18327%0.274CS..PPolyproline II helixtrans-59150.2168-68.9172000110.6L309 I344 P345 L353 K356L309-L347 HydrophobicContact CD1-CD2 4.4Å; L309-L347 HydrophobicContact CD2-CD2 4.39Å; I344-L347 HydrophobicContact CB-CD1 4.32Å; I344-L347 HydrophobicContact CB-CG 4.39Å; I344-L347 HydrophobicContact CG2-CD2 4.08Å; I344-L347 HydrophobicContact CG2-CG 4.17Å; P345-L347 VanDerWaalsContact C-N 3.3Å; P345-L347 PolarHBondContact O-N 2.98Å; L347-L353 HydrophobicContact CD1-CB 4.23Å; L347-L353 HydrophobicContact CD2-CD1 4.23Å; L347-K356 HydrophobicContact CD2-CG 4.06Å
348P98.2Very high96Very high3 Ų343.3 Ų43.32%0.01927%0.266CS..PPolyproline II helixtrans-59.3129178.5-2536.5000110.7F254 G350 G351 E352 S355 K356F254-P348 HydrophobicContact CD2-CB 3.97Å; F254-P348 HydrophobicContact CE2-CB 3.88Å; P348-G350 PolarHBondContact O-N 2.85Å; P348-G351 PolarHBondContact O-N 2.86Å; P348-E352 PolarHBondContact O-N 2.97Å; P348-S355 WeakPolarHBondContact CG-OG 3.48Å; P348-K356 HydrophobicContact CG-CD 3.83Å; P348-K356 HydrophobicContact CG-CG 4.31Å
349P98.1Very high96Very high55 Ų5543.4 Ų43.436%0.35727%0.266SS..THydrogen-bonded Turntrans-60.9136.9-177.827.2-35.6000110.5D253 F254 G351D253-P349 HydrophobicContact CB-CB 4.07Å; D253-P349 HydrophobicContact CB-CG 4.13Å; F254-P349 VanDerWaalsContact CA-O 3.24Å; F254-P349 WeakPolarHBondContact CA-O 3.01Å; F254-P349 VanDerWaalsContact CB-O 3.32Å; F254-P349 WeakPolarHBondContact CB-O 3.39Å; F254-P349 PolarHBondContact N-O 3.11Å; P349-G351 PolarHBondContact O-N 3.43Å
350G96.3Very high96.1Very high9 Ų943.4 Ų43.49%0.09327%0.266CS..THydrogen-bonded Turntrans76.7-42-179.400000113.4K279 P348 E352K279-G350 WeakPolarHBondContact CE-O 3.37Å; K279-G350 PolarHBondContact NZ-O 3.43Å; P348-G350 PolarHBondContact O-N 2.85Å; G350-E352 PolarHBondContact N-OE1 3.04Å
351G96.9Very high96.1Very high0 Ų042.8 Ų42.80%025%0.253CS..THydrogen-bonded Turntrans-74.3-33.917600000113.7P348 P349 A354 S355P348-G351 PolarHBondContact O-N 2.86Å; P349-G351 PolarHBondContact O-N 3.43Å; G351-A354 PolarHBondContact O-N 2.93Å; G351-S355 PolarHBondContact O-N 3.3Å; G351-S355 VanDerWaalsContact O-N 3.16Å
352E98.1Very high96.2Very high88 Ų8841.1 Ų41.141%0.41125%0.245SC..Hα-helixtrans49.8-153.4178.6-55.6-55.1135.600112.3P348 G350 A354 S355P348-E352 PolarHBondContact O-N 2.97Å; G350-E352 PolarHBondContact N-OE1 3.04Å; E352-A354 PolarHBondContact O-N 3.45Å; E352-S355 PolarHBondContact O-N 3.41Å; E352-S355 PolarHBondContact O-OG 3.35Å
353L97.9Very high96.2Very high13 Ų1339.8 Ų39.87%0.06824%0.239CC..Hα-helixtrans-59.6-29.4-179.7-169.665.5000112.8L313 M336 L339 A340 I344 L347 S355 K356 R357 I360L313-L353 HydrophobicContact CD2-CD1 4.43Å; M336-L353 HydrophobicContact CE-CD2 4.11Å; M336-L353 HydrophobicContact CE-CG 3.94Å; L339-L353 HydrophobicContact CB-CD1 4.34Å; L339-L353 HydrophobicContact CB-CD2 3.91Å; A340-L353 HydrophobicContact CB-CD2 3.84Å; I344-L353 HydrophobicContact CD1-CD1 4.19Å; L347-L353 HydrophobicContact CD1-CB 4.23Å; L347-L353 HydrophobicContact CD2-CD1 4.23Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 2.92Å; L353-K356 PolarHBondContact O-N 3.2Å; L353-R357 PolarHBondContact O-N 3.38Å; L353-I360 HydrophobicContact CD1-CD1 3.73Å; L353-I360 HydrophobicContact CG-CD1 4.34Å
354A98Very high96.3Very high2 Ų233.9 Ų33.92%0.01720%0.198CC..Hα-helixtrans-58.9-43.2178.700000111.6T275 Y278 K279 G351 E352 K356 R357 W384T275-A354 HydrophobicContact CG2-CB 4.46Å; Y278-A354 WeakPolarHBondContact CD2-O 3.47Å; K279-A354 HydrophobicContact CG-CB 3.74Å; G351-A354 PolarHBondContact O-N 2.93Å; E352-A354 PolarHBondContact O-N 3.45Å; A354-K356 PolarHBondContact O-N 3.32Å; A354-K356 VanDerWaalsContact O-N 3.17Å; A354-R357 VanDerWaalsContact O-CB 3.27Å; A354-R357 WeakPolarHBondContact O-CB 3.26Å; A354-R357 PolarHBondContact O-N 3.35Å; A354-R357 VanDerWaalsContact O-N 3.09Å; A354-W384 HydrophobicContact CB-CH2 4.16Å; A354-W384 HydrophobicContact CB-CZ2 4.24Å
355S98.2Very high96.2Very high20 Ų2036.6 Ų36.614%0.1421%0.213CC..Hα-helixtrans-64.5-17.8176.669.70000114.6F254 T275 P348 G351 E352 L353F254-S355 VanDerWaalsContact CE2-CB 3.47Å; T275-S355 VanDerWaalsContact OG1-CA 3.28Å; T275-S355 WeakPolarHBondContact OG1-CA 3.46Å; T275-S355 VanDerWaalsContact OG1-CB 3.29Å; T275-S355 WeakPolarHBondContact OG1-CB 3.48Å; P348-S355 WeakPolarHBondContact CG-OG 3.48Å; G351-S355 PolarHBondContact O-N 3.3Å; G351-S355 VanDerWaalsContact O-N 3.16Å; E352-S355 PolarHBondContact O-N 3.41Å; E352-S355 PolarHBondContact O-OG 3.35Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 2.92Å
356K98.4Very high96.4Very high6 Ų641.3 Ų41.33%0.02623%0.225CC..THydrogen-bonded Turntrans-99.10.1177.8-57.2-52.9-59.2172.40113.1E306 L309 D310 L313 L347 P348 L353 A354 S358 V359 I360E306-K356 IonicContact OE1-NZ 3.83Å; E306-K356 PolarHBondContact OE1-NZ 2.9Å; L309-K356 HydrophobicContact CD2-CD 4.18Å; L309-K356 HydrophobicContact CD2-CG 4.34Å; D310-K356 WeakPolarHBondContact OD1-CE 3.24Å; D310-K356 IonicContact OD1-NZ 3.79Å; D310-K356 PolarHBondContact OD1-NZ 3.32Å; D310-K356 IonicContact OD2-NZ 2.62Å; L313-K356 HydrophobicContact CD1-CB 3.67Å; L313-K356 HydrophobicContact CD1-CG 4Å; L347-K356 HydrophobicContact CD2-CG 4.06Å; P348-K356 HydrophobicContact CG-CD 3.83Å; P348-K356 HydrophobicContact CG-CG 4.31Å; L353-K356 PolarHBondContact O-N 3.2Å; A354-K356 PolarHBondContact O-N 3.32Å; A354-K356 VanDerWaalsContact O-N 3.17Å; K356-S358 VanDerWaalsContact C-N 3.35Å; K356-S358 PolarHBondContact O-N 3.35Å; K356-V359 WeakPolarHBondContact O-CB 3.49Å; K356-V359 PolarHBondContact O-N 3.48Å; K356-V359 VanDerWaalsContact O-N 3.12Å; K356-I360 HydrophobicContact CB-CD1 4.35Å; K356-I360 WeakPolarHBondContact O-CG1 3.41Å; K356-I360 PolarHBondContact O-N 3.13Å; K356-I360 VanDerWaalsContact O-N 3.09Å
357R97.7Very high96.2Very high46 Ų4638.8 Ų38.817%0.17421%0.212CC..Hα-helixtrans-58.5-42.1-178.4179170.2167.9169.64.1112.7Y278 M336 L353 A354 V359 I360 E361Y278-R357 VanDerWaalsContact CD1-CD 3.47Å; Y278-R357 HydrophobicContact CD1-CG 4.39Å; Y278-R357 HydrophobicContact CD2-CB 3.63Å; Y278-R357 HydrophobicContact CD2-CG 4.15Å; Y278-R357 HydrophobicContact CE1-CG 4.36Å; Y278-R357 HydrophobicContact CE2-CB 3.83Å; Y278-R357 HydrophobicContact CE2-CG 4.13Å; Y278-R357 HydrophobicContact CG-CB 4.09Å; Y278-R357 HydrophobicContact CG-CG 4.27Å; M336-R357 HydrophobicContact CE-CB 3.95Å; M336-R357 HydrophobicContact CE-CG 4.13Å; M336-R357 HydrophobicContact SD-CB 4.48Å; M336-R357 HydrophobicContact SD-CG 4.24Å; L353-R357 PolarHBondContact O-N 3.38Å; A354-R357 VanDerWaalsContact O-CB 3.27Å; A354-R357 WeakPolarHBondContact O-CB 3.26Å; A354-R357 PolarHBondContact O-N 3.35Å; A354-R357 VanDerWaalsContact O-N 3.09Å; R357-V359 PolarHBondContact O-N 3.16Å; R357-I360 PolarHBondContact O-N 3.13Å; R357-I360 VanDerWaalsContact O-N 3.13Å; R357-E361 IonicContact NE-OE2 2.77Å; R357-E361 VanDerWaalsContact O-CB 3.22Å; R357-E361 WeakPolarHBondContact O-CB 3.45Å; R357-E361 PolarHBondContact O-N 3.49Å
358S95.3Very high95.6Very high50 Ų5038.7 Ų38.735%0.3521%0.211SC..Hα-helixtrans-60.6-34.3178.9-590000112.6Y278 K356 A362Y278-S358 WeakPolarHBondContact CE2-OG 3.11Å; Y278-S358 PolarHBondContact OH-OG 3.41Å; K356-S358 VanDerWaalsContact C-N 3.35Å; K356-S358 PolarHBondContact O-N 3.35Å; S358-A362 WeakPolarHBondContact O-CB 3.25Å; S358-A362 PolarHBondContact O-N 3.33Å; S358-A362 VanDerWaalsContact O-N 3.07Å
359V96.1Very high94.7Very high35 Ų3542.7 Ų42.721%0.21224%0.237CC..Hα-helixtrans-68.1-49.8173.7177.40000110.1D310 K356 R357 E361 A362 V363D310-V359 HydrophobicContact CB-CG1 4.24Å; K356-V359 WeakPolarHBondContact O-CB 3.49Å; K356-V359 PolarHBondContact O-N 3.48Å; K356-V359 VanDerWaalsContact O-N 3.12Å; R357-V359 PolarHBondContact O-N 3.16Å; V359-E361 VanDerWaalsContact C-N 3.33Å; V359-E361 PolarHBondContact O-N 3.34Å; V359-A362 PolarHBondContact O-N 3.07Å; V359-V363 VanDerWaalsContact O-CG2 3.29Å; V359-V363 WeakPolarHBondContact O-CG2 3.34Å; V359-V363 PolarHBondContact O-N 3.36Å
360I97.6Very high93.5Very high1 Ų150.2 Ų50.21%0.00526%0.26CS..Hα-helixtrans-59.1-45.5179.7-67159.6000111.1L313 V317 L332 V335 M336 L339 L353 K356 R357 V363 Y364L313-I360 HydrophobicContact CB-CG1 4.41Å; L313-I360 HydrophobicContact CD1-CD1 4.46Å; L313-I360 HydrophobicContact CD1-CG1 4.37Å; L313-I360 HydrophobicContact CD2-CD1 4.43Å; V317-I360 HydrophobicContact CG2-CB 4.44Å; V317-I360 HydrophobicContact CG2-CG1 4.48Å; V317-I360 HydrophobicContact CG2-CG2 3.78Å; L332-I360 HydrophobicContact CD1-CG2 4.19Å; V335-I360 HydrophobicContact CG1-CG2 4.31Å; M336-I360 HydrophobicContact CE-CD1 4.17Å; M336-I360 HydrophobicContact SD-CB 4.1Å; M336-I360 HydrophobicContact SD-CD1 3.69Å; M336-I360 HydrophobicContact SD-CG1 4.48Å; M336-I360 HydrophobicContact SD-CG2 3.63Å; L339-I360 HydrophobicContact CD1-CD1 3.67Å; L339-I360 HydrophobicContact CD1-CG1 3.94Å; L339-I360 HydrophobicContact CD1-CG2 3.88Å; L353-I360 HydrophobicContact CD1-CD1 3.73Å; L353-I360 HydrophobicContact CG-CD1 4.34Å; K356-I360 HydrophobicContact CB-CD1 4.35Å; K356-I360 WeakPolarHBondContact O-CG1 3.41Å; K356-I360 PolarHBondContact O-N 3.13Å; K356-I360 VanDerWaalsContact O-N 3.09Å; R357-I360 PolarHBondContact O-N 3.13Å; R357-I360 VanDerWaalsContact O-N 3.13Å; I360-V363 PolarHBondContact O-N 2.93Å; I360-Y364 WeakPolarHBondContact O-CB 3.48Å; I360-Y364 PolarHBondContact O-N 3.48Å
361E95.9Very high91.9Very high52 Ų5253 Ų5324%0.24327%0.267CS..Hα-helixtrans-67.3-40.3-178.7-178.9162.7-177.600112.2L332 R357 V359 V363 Y364 N365L332-E361 HydrophobicContact CD1-CB 4.49Å; L332-E361 HydrophobicContact CD2-CB 3.98Å; L332-E361 HydrophobicContact CD2-CG 3.7Å; R357-E361 IonicContact NE-OE2 2.77Å; R357-E361 VanDerWaalsContact O-CB 3.22Å; R357-E361 WeakPolarHBondContact O-CB 3.45Å; R357-E361 PolarHBondContact O-N 3.49Å; V359-E361 VanDerWaalsContact C-N 3.33Å; V359-E361 PolarHBondContact O-N 3.34Å; E361-V363 VanDerWaalsContact C-N 3.29Å; E361-V363 PolarHBondContact O-N 2.97Å; E361-Y364 PolarHBondContact O-N 3Å; E361-N365 WeakPolarHBondContact O-CB 3.47Å; E361-N365 VanDerWaalsContact O-CG 3.22Å; E361-N365 PolarHBondContact O-N 2.87Å; E361-N365 PolarHBondContact O-ND2 2.83Å
362A94.8Very high89.6Confident62 Ų6256.5 Ų56.551%0.51229%0.292SS..Hα-helixtrans-59.5-41.1174.800000112S358 V359 K366S358-A362 WeakPolarHBondContact O-CB 3.25Å; S358-A362 PolarHBondContact O-N 3.33Å; S358-A362 VanDerWaalsContact O-N 3.07Å; V359-A362 PolarHBondContact O-N 3.07Å; A362-K366 PolarHBondContact O-N 3.25Å
363V95.2Very high87.2Confident18 Ų1858.3 Ų58.311%0.10931%0.305CS..Hα-helixtrans-70-46.3177.3-179.50000110.7E314 V317 V359 I360 E361 N365 K366 L367E314-V363 HydrophobicContact CB-CG2 4.3Å; E314-V363 HydrophobicContact CG-CG2 3.45Å; E314-V363 VanDerWaalsContact CG-CG2 3.45Å; V317-V363 HydrophobicContact CB-CG1 4.07Å; V317-V363 HydrophobicContact CG1-CB 4.31Å; V317-V363 HydrophobicContact CG1-CG1 3.85Å; V359-V363 VanDerWaalsContact O-CG2 3.29Å; V359-V363 WeakPolarHBondContact O-CG2 3.34Å; V359-V363 PolarHBondContact O-N 3.36Å; I360-V363 PolarHBondContact O-N 2.93Å; E361-V363 VanDerWaalsContact C-N 3.29Å; E361-V363 PolarHBondContact O-N 2.97Å; V363-N365 VanDerWaalsContact C-N 3.34Å; V363-N365 PolarHBondContact O-N 3.02Å; V363-K366 WeakPolarHBondContact O-CB 3.48Å; V363-K366 PolarHBondContact O-N 3.39Å; V363-L367 HydrophobicContact CG1-CD1 3.85Å; V363-L367 HydrophobicContact CG1-CG 4.47Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 3.12Å
364Y94.3Very high84.5Confident2 Ų264.1 Ų64.11%0.00834%0.336CS..Hα-helixtrans-55.2-48.8176.7-179.9-90.2000111.5I321 P330 D331 L332 V335 I360 E361 K366 L367 N368I321-Y364 HydrophobicContact CD1-CD2 3.83Å; I321-Y364 HydrophobicContact CD1-CE2 4.21Å; P330-Y364 VanDerWaalsContact O-CE2 3.23Å; P330-Y364 WeakPolarHBondContact O-CE2 3.26Å; P330-Y364 PolarHBondContact O-OH 2.9Å; D331-Y364 WeakPolarHBondContact CA-OH 3.35Å; L332-Y364 HydrophobicContact CB-CD1 4.18Å; L332-Y364 HydrophobicContact CB-CE1 4.12Å; L332-Y364 HydrophobicContact CB-CG 4.46Å; L332-Y364 HydrophobicContact CD1-CD1 4.24Å; L332-Y364 HydrophobicContact CD1-CD2 4.24Å; L332-Y364 HydrophobicContact CD1-CG 3.87Å; V335-Y364 HydrophobicContact CG2-CD2 3.9Å; V335-Y364 HydrophobicContact CG2-CE2 3.85Å; I360-Y364 WeakPolarHBondContact O-CB 3.48Å; I360-Y364 PolarHBondContact O-N 3.48Å; E361-Y364 PolarHBondContact O-N 3Å; Y364-K366 VanDerWaalsContact C-N 3.31Å; Y364-K366 PolarHBondContact O-N 3.34Å; Y364-L367 CarbonylContact O-C 3.59Å; Y364-L367 PolarHBondContact O-N 3.28Å; Y364-L367 VanDerWaalsContact O-N 3.11Å; Y364-N368 HydrophobicContact CE1-CB 4.29Å; Y364-N368 PolarHBondContact O-N 2.97Å; Y364-N368 PolarHBondContact OH-ND2 2.82Å; Y364-N368 VanDerWaalsContact OH-ND2 3.07Å
365N92.8Very high81.9Confident73 Ų7367.2 Ų67.239%0.3935%0.354SS..Hα-helixtrans-64.2-34.9179.7-71.6-21000112.5E361 V363 L367 N368 P369E361-N365 WeakPolarHBondContact O-CB 3.47Å; E361-N365 VanDerWaalsContact O-CG 3.22Å; E361-N365 PolarHBondContact O-N 2.87Å; E361-N365 PolarHBondContact O-ND2 2.83Å; V363-N365 VanDerWaalsContact C-N 3.34Å; V363-N365 PolarHBondContact O-N 3.02Å; N365-L367 VanDerWaalsContact C-N 3.33Å; N365-N368 CarbonylContact O-C 3.49Å; N365-P369 WeakPolarHBondContact O-CA 3.27Å
366K92.3Very high79.4Confident175 Ų17569.9 Ų69.976%0.76137%0.367SS*.Hα-helixtrans-66.2-35.6174.1-175.5-178176.9-173.70112.3A362 V363 Y364A362-K366 PolarHBondContact O-N 3.25Å; V363-K366 WeakPolarHBondContact O-CB 3.48Å; V363-K366 PolarHBondContact O-N 3.39Å; Y364-K366 VanDerWaalsContact C-N 3.31Å; Y364-K366 PolarHBondContact O-N 3.34Å
367L89.3Confident76.6Confident70 Ų7074.8 Ų74.837%0.36640%0.402SS..Hα-helixtrans-85.3-23.6-179.4-64171.4000113V317 E318 I321 V363 Y364 N365V317-L367 HydrophobicContact CG1-CD1 4.21Å; E318-L367 HydrophobicContact CB-CD1 4.37Å; E318-L367 HydrophobicContact CG-CD1 3.65Å; E318-L367 HydrophobicContact CG-CD2 4.33Å; I321-L367 HydrophobicContact CD1-CB 3.8Å; I321-L367 HydrophobicContact CD1-CD1 3.76Å; I321-L367 HydrophobicContact CD1-CG 4.45Å; V363-L367 HydrophobicContact CG1-CD1 3.85Å; V363-L367 HydrophobicContact CG1-CG 4.47Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 3.12Å; Y364-L367 CarbonylContact O-C 3.59Å; Y364-L367 PolarHBondContact O-N 3.28Å; Y364-L367 VanDerWaalsContact O-N 3.11Å; N365-L367 VanDerWaalsContact C-N 3.33Å
368N86.7Confident73.8Confident33 Ų3375.4 Ų75.418%0.17642%0.417CS..  trans-131.566.1-179.7-169.222.7000112.7V329 Y364 N365 Y370V329-N368 HydrophobicContact CG1-CB 4.22Å; Y364-N368 HydrophobicContact CE1-CB 4.29Å; Y364-N368 PolarHBondContact O-N 2.97Å; Y364-N368 PolarHBondContact OH-ND2 2.82Å; Y364-N368 VanDerWaalsContact OH-ND2 3.07Å; N365-N368 CarbonylContact O-C 3.49Å; N368-Y370 VanDerWaalsContact C-N 3.29Å; N368-Y370 PolarHBondContact O-N 2.89Å
369P78.8Confident71.2Confident86 Ų8676.1 Ų76.156%0.55842%0.422SS*.THydrogen-bonded Turntrans-75.6-8.8-170.330.7-37000115.1N365N365-P369 WeakPolarHBondContact O-CA 3.27Å
370Y72.4Confident68.8Low213 Ų21376.1 Ų76.184%0.83542%0.422SS*.THydrogen-bonded Turntrans-102.422.1-171.6-59.1-64.9000114.2N368 S372N368-Y370 VanDerWaalsContact C-N 3.29Å; N368-Y370 PolarHBondContact O-N 2.89Å; Y370-S372 PolarHBondContact O-N 3.13Å
371R62.6Low66.1Low67 Ų6782 Ų8225%0.25345%0.454SS..  trans-64.7124.4-179.4-161175.9177.7-149.9-5.7110.1T375 D376R371-T375 VanDerWaalsContact CZ-OG1 3.32Å; R371-T375 PolarHBondContact NE-OG1 3.07Å; R371-T375 PolarHBondContact NH2-O 3.4Å; R371-T375 PolarHBondContact NH2-OG1 3.39Å; R371-D376 IonicContact CZ-OD1 2.86Å; R371-D376 VanDerWaalsContact CZ-OD1 3.31Å; R371-D376 IonicContact NH1-OD1 2.8Å; R371-D376 PolarHBondContact NH1-OD1 3.45Å; R371-D376 IonicContact NH2-OD1 3.46Å; R371-D376 PolarHBondContact NH2-OD1 2.96Å; R371-D376 VanDerWaalsContact NH2-OD1 3.14Å
372S49.4Very low63.4Low74 Ų7485.3 Ų85.352%0.51747%0.473SS..  trans-67.4129.3164.752.30000108.7Y370 D374Y370-S372 PolarHBondContact O-N 3.13Å; S372-D374 PolarHBondContact O-N 3.31Å
373D48.4Very low61.1Low126 Ų12684.5 Ų84.567%0.67446%0.459SS*.G310 helixtrans-53.9-6.1-176.1-98.8-50.8000116.3K7 T375K7-D373 PolarHBondContact NZ-O 2.73Å; K7-D373 IonicContact NZ-OD1 2.7Å; K7-D373 PolarHBondContact NZ-OD1 3.47Å; D373-T375 PolarHBondContact O-N 3.17Å
374D40.4Very low58.6Low135 Ų13594 Ų9472%0.72249%0.493SS*.G310 helixtrans-81-5-168.2-68.9-34.6000115.7S372S372-D374 PolarHBondContact O-N 3.31Å
375T43Very low56.8Low67 Ų6798.6 Ų98.641%0.41152%0.517SS..G310 helixtrans-107.77.3-172.450.20000116.1R371 D373 S377R371-T375 VanDerWaalsContact CZ-OG1 3.32Å; R371-T375 PolarHBondContact NE-OG1 3.07Å; R371-T375 PolarHBondContact NH2-O 3.4Å; R371-T375 PolarHBondContact NH2-OG1 3.39Å; D373-T375 PolarHBondContact O-N 3.17Å; T375-S377 PolarHBondContact O-N 3.3Å
376D46.5Very low54.9Low77 Ų7799.9 Ų99.941%0.41252%0.524SS..THydrogen-bonded Turntrans-838.2174-69.7-27.8000113.6K7 R371 A378K7-D376 IonicContact NZ-OD2 3.75Å; K7-D376 PolarHBondContact NZ-OD2 2.67Å; R371-D376 IonicContact CZ-OD1 2.86Å; R371-D376 VanDerWaalsContact CZ-OD1 3.31Å; R371-D376 IonicContact NH1-OD1 2.8Å; R371-D376 PolarHBondContact NH1-OD1 3.45Å; R371-D376 IonicContact NH2-OD1 3.46Å; R371-D376 PolarHBondContact NH2-OD1 2.96Å; R371-D376 VanDerWaalsContact NH2-OD1 3.14Å; D376-A378 VanDerWaalsContact C-N 3.28Å; D376-A378 PolarHBondContact O-N 3.2Å
377S38.7Very low52.9Low108 Ų10895.7 Ų95.776%0.75551%0.511SS*.THydrogen-bonded Turntrans-82.63.5179.857.60000114.6T375 S379T375-S377 PolarHBondContact O-N 3.3Å; S377-S379 PolarHBondContact O-N 3.4Å
378A39.1Very low50.7Low60 Ų6097.2 Ų97.250%0.49652%0.52SS..SBendtrans-72.4114.5172.200000109.3D376 T380D376-A378 VanDerWaalsContact C-N 3.28Å; D376-A378 PolarHBondContact O-N 3.2Å; A378-T380 PolarHBondContact O-N 2.95Å
379S40Very low48.5Very low64 Ų64101.3 Ų101.345%0.44854%0.541SS..  trans-48.5131.9-179.950.70000112.2S377 D381 D382S377-S379 PolarHBondContact O-N 3.4Å; S379-D381 PolarHBondContact O-N 2.88Å; S379-D382 PolarHBondContact O-N 3.33Å
380T46.7Very low46.5Very low35 Ų35102.3 Ų102.322%0.21554%0.54CS..G310 helixtrans-58.3-11.4168.749.80000113.3W32 A378 D382 M383W32-T380 HydrophobicContact CZ2-CG2 4.22Å; A378-T380 PolarHBondContact O-N 2.95Å; T380-D382 PolarHBondContact O-N 3.11Å; T380-M383 HydrophobicContact CG2-SD 4.01Å; T380-M383 WeakPolarHBondContact O-CB 3.35Å; T380-M383 PolarHBondContact O-N 3.06Å
381D41.1Very low44.6Very low126 Ų12694.4 Ų94.467%0.67452%0.519SS*.G310 helixtrans-63.7-20.1177.3-70.3-7.9000113.3S379S379-D381 PolarHBondContact O-N 2.88Å
382D38.1Very low43.2Very low121 Ų12196.5 Ų96.565%0.64754%0.539SS*.G310 helixtrans-101.414177.5-77.5-22.1000113.3S379 T380S379-D382 PolarHBondContact O-N 3.33Å; T380-D382 PolarHBondContact O-N 3.11Å
383M46.4Very low42.7Very low44 Ų4498.3 Ų98.322%0.21754%0.541CS..  trans-93.3-0.4-171.9-69-1667400115.8T380T380-M383 HydrophobicContact CG2-SD 4.01Å; T380-M383 WeakPolarHBondContact O-CB 3.35Å; T380-M383 PolarHBondContact O-N 3.06Å
384W43.9Very low42.2Very low217 Ų21795.8 Ų95.882%0.82253%0.529SS*.  trans-142.20178.1-60.2103.5000113.1A354A354-W384 HydrophobicContact CB-CH2 4.16Å; A354-W384 HydrophobicContact CB-CZ2 4.24Å

Retrieved 384 of 384 residues in 87.9 ms (Link to these results)

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